smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000050336810 551160651 /nfs/dbraw/zinc/16/06/51/551160651.db2.gz IFUFXZFFVZAIEU-SSDOTTSWSA-N -1 3 382.077 2.792 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CC(=O)Nc2ccccc21 ZINC000125167157 551319892 /nfs/dbraw/zinc/31/98/92/551319892.db2.gz WSHZNPGIQUINHY-LLVKDONJSA-N -1 3 375.837 2.616 20 30 GFEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000155839021 551509237 /nfs/dbraw/zinc/50/92/37/551509237.db2.gz MIKDVCSBXQBBPA-UHFFFAOYSA-N -1 3 378.491 2.564 20 30 GFEDHM Cn1ncc2c1ncc(C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c2[O-] ZINC000181982710 552272098 /nfs/dbraw/zinc/27/20/98/552272098.db2.gz XQMBFEIWSRSHQP-CYBMUJFWSA-N -1 3 376.203 2.975 20 30 GFEDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000184296536 552331839 /nfs/dbraw/zinc/33/18/39/552331839.db2.gz KQNNWAGKKQHSHV-UHFFFAOYSA-N -1 3 377.853 2.691 20 30 GFEDHM C[C@]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000185075834 552353110 /nfs/dbraw/zinc/35/31/10/552353110.db2.gz MNQNYBOAYMXQAA-MRXNPFEDSA-N -1 3 398.271 2.544 20 30 GFEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1 ZINC000193794819 553003199 /nfs/dbraw/zinc/00/31/99/553003199.db2.gz MVUXHLSSGNJIAK-UHFFFAOYSA-N -1 3 379.419 2.746 20 30 GFEDHM Cc1cc(S(=O)(=O)[N-]C2CCN(c3ccc(C#N)cn3)CC2)sc1Cl ZINC000373698828 563347936 /nfs/dbraw/zinc/34/79/36/563347936.db2.gz GCLLDECVMIQSRB-UHFFFAOYSA-N -1 3 396.925 2.924 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000425179583 563408123 /nfs/dbraw/zinc/40/81/23/563408123.db2.gz QBZADWMOGUKVJL-IPYPFGDCSA-N -1 3 389.901 2.623 20 30 GFEDHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000425207654 563410450 /nfs/dbraw/zinc/41/04/50/563410450.db2.gz QNVNAQLCJYAHOR-SECBINFHSA-N -1 3 399.881 2.689 20 30 GFEDHM C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000427780304 563474723 /nfs/dbraw/zinc/47/47/23/563474723.db2.gz GSEYQWDBNCRMDT-UHFFFAOYSA-N -1 3 386.539 2.815 20 30 GFEDHM CC[C@@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428373409 563488311 /nfs/dbraw/zinc/48/83/11/563488311.db2.gz LCLACKIWAFBVHC-INIZCTEOSA-N -1 3 380.857 2.528 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc2cc(Br)ccc2[nH]1 ZINC000428393963 563490008 /nfs/dbraw/zinc/49/00/08/563490008.db2.gz QWOGGKIYCRVUKZ-UHFFFAOYSA-N -1 3 391.250 2.676 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCN(CC(F)(F)F)CC1 ZINC000330399364 563504043 /nfs/dbraw/zinc/50/40/43/563504043.db2.gz DAKGOAIVYIIYKU-JTQLQIEISA-N -1 3 381.445 2.561 20 30 GFEDHM CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)C1 ZINC000330980138 563530440 /nfs/dbraw/zinc/53/04/40/563530440.db2.gz MKNLXOLHVDJGHP-VXGBXAGGSA-N -1 3 391.584 2.676 20 30 GFEDHM CSC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000332487433 563602070 /nfs/dbraw/zinc/60/20/70/563602070.db2.gz RRRPWZGRFAWVME-UHFFFAOYSA-N -1 3 375.313 2.885 20 30 GFEDHM COC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000435415628 563648629 /nfs/dbraw/zinc/64/86/29/563648629.db2.gz CLHUTQULPJUKJI-INIZCTEOSA-N -1 3 382.438 2.516 20 30 GFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000412838154 563671430 /nfs/dbraw/zinc/67/14/30/563671430.db2.gz JGHSSSXGOWSESF-GDBMZVCRSA-N -1 3 378.519 2.719 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000365430633 563783153 /nfs/dbraw/zinc/78/31/53/563783153.db2.gz XGBLEXDBWRYZBT-SUMWQHHRSA-N -1 3 377.853 2.663 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccccc3F)CC2)s1 ZINC000367165394 563834132 /nfs/dbraw/zinc/83/41/32/563834132.db2.gz UUMBNDIOPLYJMN-UHFFFAOYSA-N -1 3 379.482 2.702 20 30 GFEDHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416471573 563834216 /nfs/dbraw/zinc/83/42/16/563834216.db2.gz QHNGKNVADRYKHF-UHFFFAOYSA-N -1 3 387.299 2.804 20 30 GFEDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C12CCC2 ZINC000416561176 563849067 /nfs/dbraw/zinc/84/90/67/563849067.db2.gz MVVLUXUTUYHCTR-KGLIPLIRSA-N -1 3 385.283 2.557 20 30 GFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1nc2c(cccc2OC)s1 ZINC000470827921 564178622 /nfs/dbraw/zinc/17/86/22/564178622.db2.gz QQPZQWYELNXONS-UHFFFAOYSA-N -1 3 377.451 2.519 20 30 GFEDHM N#C[C@@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000471376091 564193868 /nfs/dbraw/zinc/19/38/68/564193868.db2.gz LZZWRKUPAMCOIA-OAHLLOKOSA-N -1 3 378.215 2.810 20 30 GFEDHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000509523687 564303238 /nfs/dbraw/zinc/30/32/38/564303238.db2.gz KZVBXZSUTPLHTJ-LBPRGKRZSA-N -1 3 381.860 2.980 20 30 GFEDHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000476502590 564342460 /nfs/dbraw/zinc/34/24/60/564342460.db2.gz GHLSYAFAACSPLG-ZDUSSCGKSA-N -1 3 378.837 2.502 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000510849473 564348837 /nfs/dbraw/zinc/34/88/37/564348837.db2.gz ACQDEOWTRVXVRQ-LLVKDONJSA-N -1 3 383.520 2.520 20 30 GFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000451800451 564353306 /nfs/dbraw/zinc/35/33/06/564353306.db2.gz CSMSJQQUEKIXSF-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000567378645 564368808 /nfs/dbraw/zinc/36/88/08/564368808.db2.gz FMXYSIHYSGCIMS-UHFFFAOYSA-N -1 3 383.189 2.940 20 30 GFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)OCC ZINC000451985923 564376231 /nfs/dbraw/zinc/37/62/31/564376231.db2.gz FEWJOEJETTTXJR-LBPRGKRZSA-N -1 3 394.262 2.764 20 30 GFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OCC ZINC000451993071 564378104 /nfs/dbraw/zinc/37/81/04/564378104.db2.gz MKQMHUVSCZDOHE-LLVKDONJSA-N -1 3 396.328 2.995 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000516117276 564493816 /nfs/dbraw/zinc/49/38/16/564493816.db2.gz BBEQFJGIRFJUBW-MAUKXSAKSA-N -1 3 376.865 2.656 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000516117275 564494273 /nfs/dbraw/zinc/49/42/73/564494273.db2.gz BBEQFJGIRFJUBW-CRAIPNDOSA-N -1 3 376.865 2.656 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000579639087 564750398 /nfs/dbraw/zinc/75/03/98/564750398.db2.gz YRLWYZSWGJLXEA-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489806398 564753374 /nfs/dbraw/zinc/75/33/74/564753374.db2.gz IGHOZNSRFSJNFW-YGRLFVJLSA-N -1 3 383.363 2.984 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1 ZINC000490458646 564772684 /nfs/dbraw/zinc/77/26/84/564772684.db2.gz FDWHGFJGXRSAKC-GFCCVEGCSA-N -1 3 379.844 2.908 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)[C@@H]1OCCc2sccc21 ZINC000490526407 564775643 /nfs/dbraw/zinc/77/56/43/564775643.db2.gz HSPHJMJYLCWWFF-GTNSWQLSSA-N -1 3 380.466 2.881 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000528547810 564792969 /nfs/dbraw/zinc/79/29/69/564792969.db2.gz IYCINWRLJMRBRS-HNNXBMFYSA-N -1 3 398.326 2.616 20 30 GFEDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557786633 564876519 /nfs/dbraw/zinc/87/65/19/564876519.db2.gz PHXMNTYVBNGORN-NSHDSACASA-N -1 3 380.267 2.625 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000497983548 564883064 /nfs/dbraw/zinc/88/30/64/564883064.db2.gz MGOLISGZIXPIOU-UWVGGRQHSA-N -1 3 383.285 2.825 20 30 GFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1Oc1ccccc1 ZINC000584210202 564925325 /nfs/dbraw/zinc/92/53/25/564925325.db2.gz VZTWWHPNXLUTOY-UXLLHSPISA-N -1 3 378.475 2.523 20 30 GFEDHM CCc1nc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)cs1 ZINC000559640995 564937938 /nfs/dbraw/zinc/93/79/38/564937938.db2.gz RZILUWQRWMJYFL-UHFFFAOYSA-N -1 3 386.296 2.818 20 30 GFEDHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000503219326 565014465 /nfs/dbraw/zinc/01/44/65/565014465.db2.gz FTFZZIPRBINIRV-LBPRGKRZSA-N -1 3 378.837 2.502 20 30 GFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469358948 565014660 /nfs/dbraw/zinc/01/46/60/565014660.db2.gz MQKGOYFZDCLBLT-CYBMUJFWSA-N -1 3 377.890 2.625 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000503428080 565019162 /nfs/dbraw/zinc/01/91/62/565019162.db2.gz CEHMDMIYNPXJAK-UHFFFAOYSA-N -1 3 380.813 2.510 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000503474832 565021236 /nfs/dbraw/zinc/02/12/36/565021236.db2.gz YOFUEMFGPNAIBX-INIZCTEOSA-N -1 3 377.897 2.663 20 30 GFEDHM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccco1 ZINC000503860880 565029859 /nfs/dbraw/zinc/02/98/59/565029859.db2.gz WXXVMJSMTKNRFL-AWEZNQCLSA-N -1 3 399.266 2.970 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000584492018 565083035 /nfs/dbraw/zinc/08/30/35/565083035.db2.gz MCJZDMDLOVFNLW-UHFFFAOYSA-N -1 3 381.251 2.646 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000590762893 565202220 /nfs/dbraw/zinc/20/22/20/565202220.db2.gz KTUXFFQHBODVFD-GDBMZVCRSA-N -1 3 377.853 2.805 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)NCc1cccs1 ZINC000592080465 565253853 /nfs/dbraw/zinc/25/38/53/565253853.db2.gz PPWVJWUNQWQQLO-CQSZACIVSA-N -1 3 397.909 2.646 20 30 GFEDHM CC[C@@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593531975 565338159 /nfs/dbraw/zinc/33/81/59/565338159.db2.gz LFXOGRXYDPUWJZ-GFCCVEGCSA-N -1 3 377.491 2.627 20 30 GFEDHM COC(=O)C[C@](C)([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(F)c1 ZINC000593583641 565343995 /nfs/dbraw/zinc/34/39/95/565343995.db2.gz WNSGLCPFSHEZMG-INIZCTEOSA-N -1 3 382.438 2.516 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000594484520 565394297 /nfs/dbraw/zinc/39/42/97/565394297.db2.gz ULHFKTDFCMMAKM-LSDHHAIUSA-N -1 3 398.326 2.616 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000594485126 565394992 /nfs/dbraw/zinc/39/49/92/565394992.db2.gz WVLGEAUDYOYFRO-HUUCEWRRSA-N -1 3 398.326 2.616 20 30 GFEDHM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773962 565419417 /nfs/dbraw/zinc/41/94/17/565419417.db2.gz UGEVIVRVOGNQRF-PWSUYJOCSA-N -1 3 380.491 2.947 20 30 GFEDHM CC(C)(NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C#N)c1 ZINC000597948034 565583786 /nfs/dbraw/zinc/58/37/86/565583786.db2.gz AACANZCWNNZKFG-UHFFFAOYSA-N -1 3 397.909 2.603 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625257046 565612313 /nfs/dbraw/zinc/61/23/13/565612313.db2.gz KNEABSVMQAAUEA-GWCFXTLKSA-N -1 3 378.263 2.766 20 30 GFEDHM Cn1cc(I)c(=NC(=O)c2ccc(C(C)(C)C#N)cc2)[n-]1 ZINC000602389827 565845782 /nfs/dbraw/zinc/84/57/82/565845782.db2.gz JMOJHTAJPWCMND-UHFFFAOYSA-N -1 3 394.216 2.500 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)Nc1ccccc1 ZINC000611538930 566134734 /nfs/dbraw/zinc/13/47/34/566134734.db2.gz FXKOWIXZHLIFDZ-UHFFFAOYSA-N -1 3 377.853 2.907 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000657001725 566204565 /nfs/dbraw/zinc/20/45/65/566204565.db2.gz BTEWSFWDTMXDMV-NEPJUHHUSA-N -1 3 394.262 2.609 20 30 GFEDHM C#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)cn1 ZINC000735390116 598834860 /nfs/dbraw/zinc/83/48/60/598834860.db2.gz OWWXMFGLVADKDY-UHFFFAOYSA-N -1 3 386.440 2.902 20 30 GFEDHM C=CCCO[C@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735415978 598839333 /nfs/dbraw/zinc/83/93/33/598839333.db2.gz BLDNWIBMMCJWLH-CQSZACIVSA-N -1 3 381.440 2.589 20 30 GFEDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736193800 598915152 /nfs/dbraw/zinc/91/51/52/598915152.db2.gz UIXURXRRFLDZDZ-SNVBAGLBSA-N -1 3 395.404 2.766 20 30 GFEDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736193800 598915153 /nfs/dbraw/zinc/91/51/53/598915153.db2.gz UIXURXRRFLDZDZ-SNVBAGLBSA-N -1 3 395.404 2.766 20 30 GFEDHM C/C=C/c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(OC)c1 ZINC000736304555 598918286 /nfs/dbraw/zinc/91/82/86/598918286.db2.gz OBHGNCIQKGPOJM-ONEGZZNKSA-N -1 3 390.403 2.798 20 30 GFEDHM C/C=C/c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(OC)c1 ZINC000736304555 598918288 /nfs/dbraw/zinc/91/82/88/598918288.db2.gz OBHGNCIQKGPOJM-ONEGZZNKSA-N -1 3 390.403 2.798 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736236945 598928235 /nfs/dbraw/zinc/92/82/35/598928235.db2.gz UJDJZGPPFSQSCC-ZBEGNZNMSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736236945 598928237 /nfs/dbraw/zinc/92/82/37/598928237.db2.gz UJDJZGPPFSQSCC-ZBEGNZNMSA-N -1 3 387.403 2.585 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000819772835 607253759 /nfs/dbraw/zinc/25/37/59/607253759.db2.gz MBYYRZHOWWVXOL-UHFFFAOYSA-N -1 3 393.842 2.615 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000819772835 607253760 /nfs/dbraw/zinc/25/37/60/607253760.db2.gz MBYYRZHOWWVXOL-UHFFFAOYSA-N -1 3 393.842 2.615 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000735426667 598954246 /nfs/dbraw/zinc/95/42/46/598954246.db2.gz UMNYYHZOKPALNU-OAQYLSRUSA-N -1 3 396.495 2.624 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000735426667 598954248 /nfs/dbraw/zinc/95/42/48/598954248.db2.gz UMNYYHZOKPALNU-OAQYLSRUSA-N -1 3 396.495 2.624 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000737712782 598992850 /nfs/dbraw/zinc/99/28/50/598992850.db2.gz UGMFCJNIPYBYPG-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000737712782 598992851 /nfs/dbraw/zinc/99/28/51/598992851.db2.gz UGMFCJNIPYBYPG-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505806 599023468 /nfs/dbraw/zinc/02/34/68/599023468.db2.gz TVQGSRQPHCBTBU-CQSZACIVSA-N -1 3 376.420 2.677 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1 ZINC000735380886 599069878 /nfs/dbraw/zinc/06/98/78/599069878.db2.gz NHLCIJCJUQLNCU-UHFFFAOYSA-N -1 3 377.404 2.918 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1 ZINC000735380886 599069879 /nfs/dbraw/zinc/06/98/79/599069879.db2.gz NHLCIJCJUQLNCU-UHFFFAOYSA-N -1 3 377.404 2.918 20 30 GFEDHM C=CCOCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819759558 599140997 /nfs/dbraw/zinc/14/09/97/599140997.db2.gz ZXNYQFOXCGODPJ-UHFFFAOYSA-N -1 3 380.408 2.975 20 30 GFEDHM C=CCOCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819759558 599140999 /nfs/dbraw/zinc/14/09/99/599140999.db2.gz ZXNYQFOXCGODPJ-UHFFFAOYSA-N -1 3 380.408 2.975 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000737011146 599153967 /nfs/dbraw/zinc/15/39/67/599153967.db2.gz NMFYHNVNWSAGAO-YCRREMRBSA-N -1 3 380.404 2.797 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000737011146 599153969 /nfs/dbraw/zinc/15/39/69/599153969.db2.gz NMFYHNVNWSAGAO-YCRREMRBSA-N -1 3 380.404 2.797 20 30 GFEDHM COc1ccc(C=CC(=O)c2nnn(-c3ccccc3)c2C)cc1-c1nnn[n-]1 ZINC000737080814 599155182 /nfs/dbraw/zinc/15/51/82/599155182.db2.gz HPEKYCVUUPPKKI-NTMALXAHSA-N -1 3 387.403 2.661 20 30 GFEDHM COc1ccc(C=CC(=O)c2nnn(-c3ccccc3)c2C)cc1-c1nn[n-]n1 ZINC000737080814 599155184 /nfs/dbraw/zinc/15/51/84/599155184.db2.gz HPEKYCVUUPPKKI-NTMALXAHSA-N -1 3 387.403 2.661 20 30 GFEDHM C=CCN(CC(F)(F)F)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819740260 607299267 /nfs/dbraw/zinc/29/92/67/607299267.db2.gz WPIVXSQHSWIDME-UHFFFAOYSA-N -1 3 396.373 2.552 20 30 GFEDHM C=CCN(CC(F)(F)F)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819740260 607299268 /nfs/dbraw/zinc/29/92/68/607299268.db2.gz WPIVXSQHSWIDME-UHFFFAOYSA-N -1 3 396.373 2.552 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000735420746 598286145 /nfs/dbraw/zinc/28/61/45/598286145.db2.gz RUQXDSBZGIRGPE-UHFFFAOYSA-N -1 3 388.435 2.583 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000735420746 598286147 /nfs/dbraw/zinc/28/61/47/598286147.db2.gz RUQXDSBZGIRGPE-UHFFFAOYSA-N -1 3 388.435 2.583 20 30 GFEDHM N#CCn1c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc2ccccc21 ZINC000737703670 598289118 /nfs/dbraw/zinc/28/91/18/598289118.db2.gz AIEYVFBYPDBVAQ-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM N#CCn1c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc2ccccc21 ZINC000737703670 598289120 /nfs/dbraw/zinc/28/91/20/598289120.db2.gz AIEYVFBYPDBVAQ-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735905451 598323218 /nfs/dbraw/zinc/32/32/18/598323218.db2.gz JCNVDNDNCFEBSH-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735905451 598323220 /nfs/dbraw/zinc/32/32/20/598323220.db2.gz JCNVDNDNCFEBSH-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736481668 598329101 /nfs/dbraw/zinc/32/91/01/598329101.db2.gz SFFIGJLXLNPNEJ-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736481668 598329102 /nfs/dbraw/zinc/32/91/02/598329102.db2.gz SFFIGJLXLNPNEJ-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735381563 598416936 /nfs/dbraw/zinc/41/69/36/598416936.db2.gz VVPSJBFWTQPDSB-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735381563 598416938 /nfs/dbraw/zinc/41/69/38/598416938.db2.gz VVPSJBFWTQPDSB-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM N#CCCSc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737693651 598495666 /nfs/dbraw/zinc/49/56/66/598495666.db2.gz IEBNDAAXLGNQBK-UHFFFAOYSA-N -1 3 380.433 2.890 20 30 GFEDHM N#CCCSc1ccccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737693651 598495668 /nfs/dbraw/zinc/49/56/68/598495668.db2.gz IEBNDAAXLGNQBK-UHFFFAOYSA-N -1 3 380.433 2.890 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737694978 598504329 /nfs/dbraw/zinc/50/43/29/598504329.db2.gz RFFGABHKBWDXBG-UHFFFAOYSA-N -1 3 393.476 2.601 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737694978 598504330 /nfs/dbraw/zinc/50/43/30/598504330.db2.gz RFFGABHKBWDXBG-UHFFFAOYSA-N -1 3 393.476 2.601 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648660 598535861 /nfs/dbraw/zinc/53/58/61/598535861.db2.gz VMZZOVPUAUMDQY-SFHVURJKSA-N -1 3 389.463 2.957 20 30 GFEDHM N#CCn1cc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737705888 598667887 /nfs/dbraw/zinc/66/78/87/598667887.db2.gz RKGSNVFMSBFVEV-UHFFFAOYSA-N -1 3 386.375 2.631 20 30 GFEDHM C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H]1CCc2ccccc21 ZINC000819697377 607363549 /nfs/dbraw/zinc/36/35/49/607363549.db2.gz CKCRXDICHWBFRC-QGZVFWFLSA-N -1 3 390.447 2.638 20 30 GFEDHM C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@@H]1CCc2ccccc21 ZINC000819697377 607363551 /nfs/dbraw/zinc/36/35/51/607363551.db2.gz CKCRXDICHWBFRC-QGZVFWFLSA-N -1 3 390.447 2.638 20 30 GFEDHM C[C@@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)N(C)CCC#N ZINC000736139631 598786797 /nfs/dbraw/zinc/78/67/97/598786797.db2.gz VVEAJOYFZKFHTM-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)N(C)CCC#N ZINC000736139631 598786799 /nfs/dbraw/zinc/78/67/99/598786799.db2.gz VVEAJOYFZKFHTM-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334520 599516934 /nfs/dbraw/zinc/51/69/34/599516934.db2.gz MTQAPHOGQDIXOM-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334520 599516936 /nfs/dbraw/zinc/51/69/36/599516936.db2.gz MTQAPHOGQDIXOM-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C#CCOc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709841 599624349 /nfs/dbraw/zinc/62/43/49/599624349.db2.gz RFVKNZZRMHTOJC-CQSZACIVSA-N -1 3 378.388 2.503 20 30 GFEDHM C#CCOc1ccc(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709841 599624350 /nfs/dbraw/zinc/62/43/50/599624350.db2.gz RFVKNZZRMHTOJC-CQSZACIVSA-N -1 3 378.388 2.503 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)[C@@H](C)C2)cc1 ZINC000737693035 600567952 /nfs/dbraw/zinc/56/79/52/600567952.db2.gz ICTQAWOCZVBCBJ-YWZLYKJASA-N -1 3 393.443 2.681 20 30 GFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000833072362 601326404 /nfs/dbraw/zinc/32/64/04/601326404.db2.gz SDVJLRUOXUKMOF-JOCHJYFZSA-N -1 3 391.471 2.851 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C2CC2)nn1 ZINC000819745478 607507140 /nfs/dbraw/zinc/50/71/40/607507140.db2.gz FUGXZIVLPZKRSP-UHFFFAOYSA-N -1 3 376.424 2.754 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C2CC2)nn1 ZINC000819745478 607507142 /nfs/dbraw/zinc/50/71/42/607507142.db2.gz FUGXZIVLPZKRSP-UHFFFAOYSA-N -1 3 376.424 2.754 20 30 GFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1ccccc1-c1nnn[n-]1 ZINC000826383942 607574104 /nfs/dbraw/zinc/57/41/04/607574104.db2.gz YRAWVBFGMANMNI-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1ccccc1-c1nn[n-]n1 ZINC000826383942 607574107 /nfs/dbraw/zinc/57/41/07/607574107.db2.gz YRAWVBFGMANMNI-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM C[C@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000739036815 602730245 /nfs/dbraw/zinc/73/02/45/602730245.db2.gz UODIKVCAYPUKKZ-LBPRGKRZSA-N -1 3 390.509 2.996 20 30 GFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC(NC(=O)[O-])CC1 ZINC000828086459 603834600 /nfs/dbraw/zinc/83/46/00/603834600.db2.gz UYNPKIZRCCLDRH-RUXDESIVSA-N -1 3 386.477 2.983 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000826245762 607678320 /nfs/dbraw/zinc/67/83/20/607678320.db2.gz HGKRKIVXRSGUFZ-OAHLLOKOSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000826245762 607678318 /nfs/dbraw/zinc/67/83/18/607678318.db2.gz HGKRKIVXRSGUFZ-OAHLLOKOSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000826271791 607696707 /nfs/dbraw/zinc/69/67/07/607696707.db2.gz HPSPENQTVAXTTL-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(N(C)C)cc1F ZINC000823915388 607709235 /nfs/dbraw/zinc/70/92/35/607709235.db2.gz WUALVXZZZUFLKP-UHFFFAOYSA-N -1 3 380.427 2.900 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(N(C)C)cc1F ZINC000823915388 607709237 /nfs/dbraw/zinc/70/92/37/607709237.db2.gz WUALVXZZZUFLKP-UHFFFAOYSA-N -1 3 380.427 2.900 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000823914295 607709662 /nfs/dbraw/zinc/70/96/62/607709662.db2.gz DSWNDLHMPUDYGK-UHFFFAOYSA-N -1 3 376.376 2.542 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000823914295 607709664 /nfs/dbraw/zinc/70/96/64/607709664.db2.gz DSWNDLHMPUDYGK-UHFFFAOYSA-N -1 3 376.376 2.542 20 30 GFEDHM N#CCC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000826381531 607711060 /nfs/dbraw/zinc/71/10/60/607711060.db2.gz PGCCFGBNJJIIRY-QGZVFWFLSA-N -1 3 379.399 2.850 20 30 GFEDHM N#CCC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000826381531 607711062 /nfs/dbraw/zinc/71/10/62/607711062.db2.gz PGCCFGBNJJIIRY-QGZVFWFLSA-N -1 3 379.399 2.850 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C#N)cs2)cc1-c1nnn[n-]1 ZINC000825545191 607761873 /nfs/dbraw/zinc/76/18/73/607761873.db2.gz MWXUQJRWKDCZMQ-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cc(C#N)cs2)cc1-c1nn[n-]n1 ZINC000825545191 607761874 /nfs/dbraw/zinc/76/18/74/607761874.db2.gz MWXUQJRWKDCZMQ-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM C#CC[C@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000819692312 606181045 /nfs/dbraw/zinc/18/10/45/606181045.db2.gz BQXRSSBGSLLMQJ-INIZCTEOSA-N -1 3 378.388 2.997 20 30 GFEDHM C#CC[C@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000819692312 606181046 /nfs/dbraw/zinc/18/10/46/606181046.db2.gz BQXRSSBGSLLMQJ-INIZCTEOSA-N -1 3 378.388 2.997 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000822631889 606287936 /nfs/dbraw/zinc/28/79/36/606287936.db2.gz LGVVPZLMFDFXDT-LLVKDONJSA-N -1 3 376.207 2.507 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000822631889 606287938 /nfs/dbraw/zinc/28/79/38/606287938.db2.gz LGVVPZLMFDFXDT-LLVKDONJSA-N -1 3 376.207 2.507 20 30 GFEDHM Cc1nc(SCC(=O)N[C@H](C#N)C2CCCCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454028 606363316 /nfs/dbraw/zinc/36/33/16/606363316.db2.gz RCWNOWUEEFZJPJ-OAHLLOKOSA-N -1 3 399.524 2.868 20 30 GFEDHM Cc1nc(SCC(=O)N[C@H](C#N)C2CCCCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454028 606363317 /nfs/dbraw/zinc/36/33/17/606363317.db2.gz RCWNOWUEEFZJPJ-OAHLLOKOSA-N -1 3 399.524 2.868 20 30 GFEDHM CCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821056803 606394774 /nfs/dbraw/zinc/39/47/74/606394774.db2.gz XQKGRYAVZXSRMW-UHFFFAOYSA-N -1 3 376.436 2.811 20 30 GFEDHM CCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821056803 606394775 /nfs/dbraw/zinc/39/47/75/606394775.db2.gz XQKGRYAVZXSRMW-UHFFFAOYSA-N -1 3 376.436 2.811 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819739971 606398694 /nfs/dbraw/zinc/39/86/94/606398694.db2.gz MBRCHQYUSONZBD-UHFFFAOYSA-N -1 3 386.431 2.539 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819739971 606398696 /nfs/dbraw/zinc/39/86/96/606398696.db2.gz MBRCHQYUSONZBD-UHFFFAOYSA-N -1 3 386.431 2.539 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801979 606440542 /nfs/dbraw/zinc/44/05/42/606440542.db2.gz SOBGRLUEAGRCDB-RBUKOAKNSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822801979 606440544 /nfs/dbraw/zinc/44/05/44/606440544.db2.gz SOBGRLUEAGRCDB-RBUKOAKNSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822801960 606446971 /nfs/dbraw/zinc/44/69/71/606446971.db2.gz SGPXMGNELISPOH-ZWKOTPCHSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822801960 606446972 /nfs/dbraw/zinc/44/69/72/606446972.db2.gz SGPXMGNELISPOH-ZWKOTPCHSA-N -1 3 388.431 2.544 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000819744048 606674073 /nfs/dbraw/zinc/67/40/73/606674073.db2.gz USOCZXZKXVXYID-UHFFFAOYSA-N -1 3 392.419 2.922 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000819744048 606674074 /nfs/dbraw/zinc/67/40/74/606674074.db2.gz USOCZXZKXVXYID-UHFFFAOYSA-N -1 3 392.419 2.922 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000821292424 607099504 /nfs/dbraw/zinc/09/95/04/607099504.db2.gz ASRCOHHMDPIFNE-LBPRGKRZSA-N -1 3 377.408 2.576 20 30 GFEDHM N#Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(Cl)c1 ZINC000822829954 607124074 /nfs/dbraw/zinc/12/40/74/607124074.db2.gz QTLOATBDGHVRJD-CYBMUJFWSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1ccc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(Cl)c1 ZINC000822829954 607124075 /nfs/dbraw/zinc/12/40/75/607124075.db2.gz QTLOATBDGHVRJD-CYBMUJFWSA-N -1 3 385.840 2.671 20 30 GFEDHM N#CCCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000822806697 607124194 /nfs/dbraw/zinc/12/41/94/607124194.db2.gz RLLWRNAPLFVXGG-UHFFFAOYSA-N -1 3 381.827 2.879 20 30 GFEDHM Fc1ccccc1NC(=S)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822795429 607145668 /nfs/dbraw/zinc/14/56/68/607145668.db2.gz ALOVWSJWPKOSLZ-UHFFFAOYSA-N -1 3 380.412 2.808 20 30 GFEDHM Fc1ccccc1NC(=S)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822795429 607145669 /nfs/dbraw/zinc/14/56/69/607145669.db2.gz ALOVWSJWPKOSLZ-UHFFFAOYSA-N -1 3 380.412 2.808 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000823909986 607837020 /nfs/dbraw/zinc/83/70/20/607837020.db2.gz VGGRQGKGTRIWNZ-KURKYZTESA-N -1 3 394.479 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000823909986 607837021 /nfs/dbraw/zinc/83/70/21/607837021.db2.gz VGGRQGKGTRIWNZ-KURKYZTESA-N -1 3 394.479 2.522 20 30 GFEDHM C#CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823838150 607937823 /nfs/dbraw/zinc/93/78/23/607937823.db2.gz KQASANDREMBRMA-INIZCTEOSA-N -1 3 387.852 2.563 20 30 GFEDHM C#CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823838150 607937824 /nfs/dbraw/zinc/93/78/24/607937824.db2.gz KQASANDREMBRMA-INIZCTEOSA-N -1 3 387.852 2.563 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)c1 ZINC000826386367 608052469 /nfs/dbraw/zinc/05/24/69/608052469.db2.gz AZUQXVZUWFBWRN-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)c1 ZINC000826386367 608052470 /nfs/dbraw/zinc/05/24/70/608052470.db2.gz AZUQXVZUWFBWRN-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM N#C[C@@H](C(=O)OCC(F)(F)F)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379426 608494691 /nfs/dbraw/zinc/49/46/91/608494691.db2.gz RFMUIJNZEAXKDV-SNVBAGLBSA-N -1 3 394.338 2.703 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823888772 608533074 /nfs/dbraw/zinc/53/30/74/608533074.db2.gz WEFQJKYDRXRSOV-CQSZACIVSA-N -1 3 398.492 2.579 20 30 GFEDHM C=CCc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc(OC)c1O ZINC000823937402 608534784 /nfs/dbraw/zinc/53/47/84/608534784.db2.gz WGHPPWOLAXXLGE-UHFFFAOYSA-N -1 3 385.815 2.804 20 30 GFEDHM C=CCc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(OC)c1O ZINC000823937402 608534785 /nfs/dbraw/zinc/53/47/85/608534785.db2.gz WGHPPWOLAXXLGE-UHFFFAOYSA-N -1 3 385.815 2.804 20 30 GFEDHM Cc1cc(C)c(C#N)c(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826263285 608557837 /nfs/dbraw/zinc/55/78/37/608557837.db2.gz TZZDYLSSOZOIKP-UHFFFAOYSA-N -1 3 390.451 2.947 20 30 GFEDHM Cc1cc(C)c(C#N)c(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826263285 608557838 /nfs/dbraw/zinc/55/78/38/608557838.db2.gz TZZDYLSSOZOIKP-UHFFFAOYSA-N -1 3 390.451 2.947 20 30 GFEDHM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823925405 608572964 /nfs/dbraw/zinc/57/29/64/608572964.db2.gz JYLVHFVPHLSDJL-UHFFFAOYSA-N -1 3 382.811 2.688 20 30 GFEDHM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823925405 608572966 /nfs/dbraw/zinc/57/29/66/608572966.db2.gz JYLVHFVPHLSDJL-UHFFFAOYSA-N -1 3 382.811 2.688 20 30 GFEDHM C=CCOc1cccc(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000823931718 608589581 /nfs/dbraw/zinc/58/95/81/608589581.db2.gz DNPUTPSMXFYDLL-UHFFFAOYSA-N -1 3 389.412 2.513 20 30 GFEDHM C#CCCCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823841415 609134906 /nfs/dbraw/zinc/13/49/06/609134906.db2.gz MWYOCQNDPRYKMU-GFCCVEGCSA-N -1 3 389.843 2.974 20 30 GFEDHM C#CCCCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823841415 609134908 /nfs/dbraw/zinc/13/49/08/609134908.db2.gz MWYOCQNDPRYKMU-GFCCVEGCSA-N -1 3 389.843 2.974 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824034481 609164261 /nfs/dbraw/zinc/16/42/61/609164261.db2.gz KPWHFHLBNFGTEF-CYBMUJFWSA-N -1 3 377.408 2.821 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824034481 609164262 /nfs/dbraw/zinc/16/42/62/609164262.db2.gz KPWHFHLBNFGTEF-CYBMUJFWSA-N -1 3 377.408 2.821 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CCOC)c1ccco1 ZINC000823909594 609196962 /nfs/dbraw/zinc/19/69/62/609196962.db2.gz KNYLQANWXNZYNO-KRWDZBQOSA-N -1 3 396.451 2.935 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CCOC)c1ccco1 ZINC000823909594 609196964 /nfs/dbraw/zinc/19/69/64/609196964.db2.gz KNYLQANWXNZYNO-KRWDZBQOSA-N -1 3 396.451 2.935 20 30 GFEDHM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400048 609270735 /nfs/dbraw/zinc/27/07/35/609270735.db2.gz NRKXKQKALKHMRE-DUXPYHPUSA-N -1 3 397.322 2.581 20 30 GFEDHM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400048 609270737 /nfs/dbraw/zinc/27/07/37/609270737.db2.gz NRKXKQKALKHMRE-DUXPYHPUSA-N -1 3 397.322 2.581 20 30 GFEDHM Cn1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359951 609310291 /nfs/dbraw/zinc/31/02/91/609310291.db2.gz TZLMXGKPPHBYJI-GXDHUFHOSA-N -1 3 399.414 2.580 20 30 GFEDHM Cn1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359951 609310292 /nfs/dbraw/zinc/31/02/92/609310292.db2.gz TZLMXGKPPHBYJI-GXDHUFHOSA-N -1 3 399.414 2.580 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823874378 609349557 /nfs/dbraw/zinc/34/95/57/609349557.db2.gz VVHJTHBAJQMVNX-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823874378 609349559 /nfs/dbraw/zinc/34/95/59/609349559.db2.gz VVHJTHBAJQMVNX-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825399231 609452071 /nfs/dbraw/zinc/45/20/71/609452071.db2.gz MYJNXHJHQLISQN-SNVBAGLBSA-N -1 3 398.414 2.986 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825399231 609452072 /nfs/dbraw/zinc/45/20/72/609452072.db2.gz MYJNXHJHQLISQN-SNVBAGLBSA-N -1 3 398.414 2.986 20 30 GFEDHM N#Cc1c(NCCSCc2ccccc2-c2nnn[n-]2)nc2ccccn21 ZINC000826383581 609457891 /nfs/dbraw/zinc/45/78/91/609457891.db2.gz HNHPOBQJWJUHQD-UHFFFAOYSA-N -1 3 376.449 2.731 20 30 GFEDHM N#Cc1c(NCCSCc2ccccc2-c2nn[n-]n2)nc2ccccn21 ZINC000826383581 609457893 /nfs/dbraw/zinc/45/78/93/609457893.db2.gz HNHPOBQJWJUHQD-UHFFFAOYSA-N -1 3 376.449 2.731 20 30 GFEDHM Cc1cc(Br)ccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826256684 609465003 /nfs/dbraw/zinc/46/50/03/609465003.db2.gz VZOALONZABXGBL-UHFFFAOYSA-N -1 3 397.236 2.991 20 30 GFEDHM Cc1cc(Br)ccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826256684 609465004 /nfs/dbraw/zinc/46/50/04/609465004.db2.gz VZOALONZABXGBL-UHFFFAOYSA-N -1 3 397.236 2.991 20 30 GFEDHM Cc1cc(Br)ccc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826256415 609465037 /nfs/dbraw/zinc/46/50/37/609465037.db2.gz INCJRINRCZCCDF-UHFFFAOYSA-N -1 3 397.236 2.991 20 30 GFEDHM Cc1cc(Br)ccc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826256415 609465038 /nfs/dbraw/zinc/46/50/38/609465038.db2.gz INCJRINRCZCCDF-UHFFFAOYSA-N -1 3 397.236 2.991 20 30 GFEDHM C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823837390 609561717 /nfs/dbraw/zinc/56/17/17/609561717.db2.gz CUCNNUDBBIDTFF-OAHLLOKOSA-N -1 3 387.852 2.563 20 30 GFEDHM C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823837390 609561718 /nfs/dbraw/zinc/56/17/18/609561718.db2.gz CUCNNUDBBIDTFF-OAHLLOKOSA-N -1 3 387.852 2.563 20 30 GFEDHM C=CCOCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823925286 609607703 /nfs/dbraw/zinc/60/77/03/609607703.db2.gz HDTOBXPHJOVRBV-UHFFFAOYSA-N -1 3 381.461 2.950 20 30 GFEDHM C=CCOCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823925286 609607704 /nfs/dbraw/zinc/60/77/04/609607704.db2.gz HDTOBXPHJOVRBV-UHFFFAOYSA-N -1 3 381.461 2.950 20 30 GFEDHM O=C(CCc1cc(Cl)ccc1Br)N[C@@H]1CCCN([O-])C1=O ZINC000820482978 660295120 /nfs/dbraw/zinc/29/51/20/660295120.db2.gz VNGGPDLSIYHEHT-GFCCVEGCSA-N -1 3 375.650 2.532 20 30 GFEDHM N#Cc1ncn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826388153 660454138 /nfs/dbraw/zinc/45/41/38/660454138.db2.gz KJCRKJJIHMNCDC-UHFFFAOYSA-N -1 3 397.613 2.534 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000270857479 655058063 /nfs/dbraw/zinc/05/80/63/655058063.db2.gz QCGQGEOFFDYMNK-MWLCHTKSSA-N -1 3 390.305 2.557 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000577427562 655459278 /nfs/dbraw/zinc/45/92/78/655459278.db2.gz GDIMHAGSGMGKCW-UHFFFAOYSA-N -1 3 383.189 2.940 20 30 GFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2nccn21 ZINC000578114164 655472763 /nfs/dbraw/zinc/47/27/63/655472763.db2.gz KOFGKZWIKBGUPB-QPUJVOFHSA-N -1 3 399.245 2.641 20 30 GFEDHM COc1cc(Br)c(C/N=C\c2c([O-])c(C)ncc2CO)cc1OC ZINC000727061635 655541059 /nfs/dbraw/zinc/54/10/59/655541059.db2.gz ODBIWSKTAJSLAI-UWVJOHFNSA-N -1 3 395.253 2.987 20 30 GFEDHM COc1cc(Br)c(C/N=C/c2c([O-])c(C)ncc2CO)cc1OC ZINC000727061631 655541076 /nfs/dbraw/zinc/54/10/76/655541076.db2.gz ODBIWSKTAJSLAI-UFWORHAWSA-N -1 3 395.253 2.987 20 30 GFEDHM CCOc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc(Br)c1[O-] ZINC000753937400 655861172 /nfs/dbraw/zinc/86/11/72/655861172.db2.gz DIGKJYJZCFXKPU-BETUJISGSA-N -1 3 381.274 2.747 20 30 GFEDHM Cc1cc(Br)c([O-])c(CN=Nc2nccc(N3CCOCC3)n2)c1 ZINC000781594438 657065861 /nfs/dbraw/zinc/06/58/61/657065861.db2.gz GFWAYWKJURPTQH-UHFFFAOYSA-N -1 3 392.257 2.536 20 30 GFEDHM Clc1ccc(N=NCc2c(Br)n[n-]c2Br)nn1 ZINC000792882039 658324971 /nfs/dbraw/zinc/32/49/71/658324971.db2.gz CQWQKFIBCKARJB-UHFFFAOYSA-N -1 3 380.431 2.824 20 30 GFEDHM O=[N+]([O-])c1cccnc1N=NCc1c(Br)n[n-]c1Br ZINC000793024248 658348036 /nfs/dbraw/zinc/34/80/36/658348036.db2.gz HTVQMOFKXBVTIN-UHFFFAOYSA-N -1 3 389.995 2.684 20 30 GFEDHM O=C([N-]CC1(C(F)(F)F)CC1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000807364507 659852413 /nfs/dbraw/zinc/85/24/13/659852413.db2.gz PSOSJQWVYVJCAO-UHFFFAOYSA-N -1 3 376.203 2.779 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(Cl)cc1 ZINC000810099453 659961370 /nfs/dbraw/zinc/96/13/70/659961370.db2.gz JCXOYXKKBUMNHQ-AWEZNQCLSA-N -1 3 381.837 2.989 20 30 GFEDHM C=CCC(F)(F)C(=O)[N-]CC(=O)Nc1ccc(I)cc1 ZINC000816604147 660162536 /nfs/dbraw/zinc/16/25/36/660162536.db2.gz ZDTPOSCPWCYIAE-UHFFFAOYSA-N -1 3 394.159 2.557 20 30 GFEDHM O=S(=O)([N-]C[C@@H]1CC(C(F)(F)F)=NO1)c1ccc(F)cc1C(F)(F)F ZINC000867527033 662556342 /nfs/dbraw/zinc/55/63/42/662556342.db2.gz ISWXIFGWZPOXIT-ZETCQYMHSA-N -1 3 394.268 2.830 20 30 GFEDHM CC(C)Oc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br ZINC000880372300 662958745 /nfs/dbraw/zinc/95/87/45/662958745.db2.gz IOSYEORBLZHNAP-GFCCVEGCSA-N -1 3 386.246 2.738 20 30 GFEDHM CC(C)(C)NS(=O)(=O)C1(C/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000887270299 663140260 /nfs/dbraw/zinc/14/02/60/663140260.db2.gz LJXROQFDOZVDFP-MFOYZWKCSA-N -1 3 389.315 2.824 20 30 GFEDHM CCCOc1c(Br)cc(CN[C@H]2CCCN([O-])C2=O)cc1OC ZINC000895166265 663501644 /nfs/dbraw/zinc/50/16/44/663501644.db2.gz QBGCZZYNNOYGHI-ZDUSSCGKSA-N -1 3 387.274 2.716 20 30 GFEDHM COc1cc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc(Br)c1[O-] ZINC000916325972 664457566 /nfs/dbraw/zinc/45/75/66/664457566.db2.gz RRZVADXTUKJGDR-UHFFFAOYSA-N -1 3 396.241 2.752 20 30 GFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2I)c1 ZINC000006315961 206219206 /nfs/dbraw/zinc/21/92/06/206219206.db2.gz DVETZEPIFHJZPH-UHFFFAOYSA-N -1 3 384.198 2.964 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000171536393 551657522 /nfs/dbraw/zinc/65/75/22/551657522.db2.gz BARBEGOBMOOGSH-UHFFFAOYSA-N -1 3 395.269 2.656 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccc2c(c1)OCCO2 ZINC000178492292 552171553 /nfs/dbraw/zinc/17/15/53/552171553.db2.gz HUBIQSGSTBHXLM-UHFFFAOYSA-N -1 3 378.837 2.504 20 30 GFEDHM COc1cc(/C=C/C(=O)N(CCC#N)CCC#N)cc(Br)c1[O-] ZINC000183465598 552309761 /nfs/dbraw/zinc/30/97/61/552309761.db2.gz ABKOSMIPXSFASU-SNAWJCMRSA-N -1 3 378.226 2.832 20 30 GFEDHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185124862 552354865 /nfs/dbraw/zinc/35/48/65/552354865.db2.gz ZLSXWAZMWSNAPL-CYBMUJFWSA-N -1 3 379.873 2.740 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)c1 ZINC000186273715 552383394 /nfs/dbraw/zinc/38/33/94/552383394.db2.gz TWIKOMRJGVVFTP-UHFFFAOYSA-N -1 3 398.271 2.573 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000186392455 552386841 /nfs/dbraw/zinc/38/68/41/552386841.db2.gz XHINGHPFUHCZPG-UHFFFAOYSA-N -1 3 384.244 2.782 20 30 GFEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194803800 553030681 /nfs/dbraw/zinc/03/06/81/553030681.db2.gz ATFJNOJFJKZBCN-SECBINFHSA-N -1 3 388.205 2.683 20 30 GFEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C12CCC2 ZINC000416561175 563849452 /nfs/dbraw/zinc/84/94/52/563849452.db2.gz MVVLUXUTUYHCTR-KBPBESRZSA-N -1 3 385.283 2.557 20 30 GFEDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)cn1 ZINC000295234339 563237583 /nfs/dbraw/zinc/23/75/83/563237583.db2.gz CVGVOXVYENBZBH-SNVBAGLBSA-N -1 3 383.271 2.577 20 30 GFEDHM N#CCCCCS(=O)(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000279099671 563283950 /nfs/dbraw/zinc/28/39/50/563283950.db2.gz JCSCVFASZQYMRO-UHFFFAOYSA-N -1 3 399.270 2.612 20 30 GFEDHM O=S(=O)([N-]Cc1noc(C(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F ZINC000279516633 563299527 /nfs/dbraw/zinc/29/95/27/563299527.db2.gz SEVJTMUWEIRNKL-UHFFFAOYSA-N -1 3 393.240 2.725 20 30 GFEDHM N#Cc1cc(Br)ccc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000302677519 563427729 /nfs/dbraw/zinc/42/77/29/563427729.db2.gz VBCAJBVFEDEEAY-UHFFFAOYSA-N -1 3 386.249 2.989 20 30 GFEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1CCN(CC#N)CC1 ZINC000427812133 563476959 /nfs/dbraw/zinc/47/69/59/563476959.db2.gz PNNNRGHJQOMEOF-UHFFFAOYSA-N -1 3 381.885 2.909 20 30 GFEDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000286750130 563573777 /nfs/dbraw/zinc/57/37/77/563573777.db2.gz DEQORKXUQHGOLV-SECBINFHSA-N -1 3 398.282 2.835 20 30 GFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)cn2C)n1 ZINC000434567173 563632297 /nfs/dbraw/zinc/63/22/97/563632297.db2.gz PLBTUTRUMVCKHD-VIFPVBQESA-N -1 3 382.239 2.911 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000435422796 563649634 /nfs/dbraw/zinc/64/96/34/563649634.db2.gz NHVCTCKZIJNSQE-QGZVFWFLSA-N -1 3 376.459 2.821 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000435440027 563651167 /nfs/dbraw/zinc/65/11/67/563651167.db2.gz YSZSLIYWJFTZLE-JTQLQIEISA-N -1 3 385.873 2.969 20 30 GFEDHM Cc1cc(S(=O)(=O)[N-]c2cc(NS(C)(=O)=O)ccc2Cl)ccc1C#N ZINC000435762522 563658185 /nfs/dbraw/zinc/65/81/85/563658185.db2.gz SYSBENNWOMHEAJ-UHFFFAOYSA-N -1 3 399.881 2.692 20 30 GFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414454512 563738886 /nfs/dbraw/zinc/73/88/86/563738886.db2.gz QZUZBMPCFFYZJW-GFCCVEGCSA-N -1 3 397.400 2.927 20 30 GFEDHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000442828689 563780194 /nfs/dbraw/zinc/78/01/94/563780194.db2.gz SJNZKDRBLHLWDZ-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCNc1ccccc1[N+](=O)[O-] ZINC000443020553 563787843 /nfs/dbraw/zinc/78/78/43/563787843.db2.gz CBFCTUPMPQDSEE-UHFFFAOYSA-N -1 3 380.813 2.510 20 30 GFEDHM COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000416428565 563827777 /nfs/dbraw/zinc/82/77/77/563827777.db2.gz RAZXRMSAIIGXAR-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416534093 563844666 /nfs/dbraw/zinc/84/46/66/563844666.db2.gz YEXWQOGOKPMFLJ-WFASDCNBSA-N -1 3 385.283 2.580 20 30 GFEDHM CN(C)c1cc(C#N)cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000506102063 564196451 /nfs/dbraw/zinc/19/64/51/564196451.db2.gz WUALSSODBNKDBW-UHFFFAOYSA-N -1 3 384.237 2.709 20 30 GFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000563838972 564209082 /nfs/dbraw/zinc/20/90/82/564209082.db2.gz QENLSUSRTBJKBM-UHFFFAOYSA-N -1 3 383.271 2.577 20 30 GFEDHM C=CCN(C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C1CC1 ZINC000540131633 564240165 /nfs/dbraw/zinc/24/01/65/564240165.db2.gz OFLLQWZKRNUMFQ-UHFFFAOYSA-N -1 3 377.388 2.710 20 30 GFEDHM C=CCCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000474684272 564286024 /nfs/dbraw/zinc/28/60/24/564286024.db2.gz BINDYLCJNRZDGX-LBPRGKRZSA-N -1 3 378.416 2.845 20 30 GFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1cccs1 ZINC000570575734 564512828 /nfs/dbraw/zinc/51/28/28/564512828.db2.gz LVVRCLJIDYXZBA-INIZCTEOSA-N -1 3 382.482 2.938 20 30 GFEDHM C[C@@](C#N)(NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000572513531 564597709 /nfs/dbraw/zinc/59/77/09/564597709.db2.gz SMHRBOXZOHZMFF-HNNXBMFYSA-N -1 3 389.930 2.659 20 30 GFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)c2nccn21 ZINC000520730673 564611403 /nfs/dbraw/zinc/61/14/03/564611403.db2.gz GMRPYMMLYVLYJJ-JOYOIKCWSA-N -1 3 381.255 2.502 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000551549924 564654608 /nfs/dbraw/zinc/65/46/08/564654608.db2.gz UDKKEDKOFDQVER-UHFFFAOYSA-N -1 3 397.225 2.621 20 30 GFEDHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486515899 564655102 /nfs/dbraw/zinc/65/51/02/564655102.db2.gz GGAVGAGVEWBQFH-UHFFFAOYSA-N -1 3 384.866 2.724 20 30 GFEDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000487012796 564672754 /nfs/dbraw/zinc/67/27/54/564672754.db2.gz QCJYCDSXAZIQMR-UHFFFAOYSA-N -1 3 376.825 2.909 20 30 GFEDHM CSc1[n-]c(=O)c(C(=O)N(CCN(C)C)Cc2ccsc2)cc1C#N ZINC000458204403 564693443 /nfs/dbraw/zinc/69/34/43/564693443.db2.gz QCWFBQKLIOHDFS-UHFFFAOYSA-N -1 3 376.507 2.646 20 30 GFEDHM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cccc([O-])c1Br ZINC000459343443 564741306 /nfs/dbraw/zinc/74/13/06/564741306.db2.gz HKBLQVGCMHDJRR-LBPRGKRZSA-N -1 3 388.269 2.527 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489805957 564753363 /nfs/dbraw/zinc/75/33/63/564753363.db2.gz IGHOZNSRFSJNFW-IINYFYTJSA-N -1 3 383.363 2.984 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)c(Cl)c1 ZINC000490459566 564772650 /nfs/dbraw/zinc/77/26/50/564772650.db2.gz SHQJFDNBXTTYHI-ZDUSSCGKSA-N -1 3 379.844 2.908 20 30 GFEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1C ZINC000581584431 564809232 /nfs/dbraw/zinc/80/92/32/564809232.db2.gz GGIQXGSOVGTHGO-UHFFFAOYSA-N -1 3 379.825 2.811 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000555947980 564809666 /nfs/dbraw/zinc/80/96/66/564809666.db2.gz MWSKHJWHPBCAEM-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM CCN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CCC(F)(F)F ZINC000494403779 564828805 /nfs/dbraw/zinc/82/88/05/564828805.db2.gz HQYXBQBMXCOKQG-UHFFFAOYSA-N -1 3 383.823 2.764 20 30 GFEDHM CSC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCOCC1 ZINC000462403558 564837305 /nfs/dbraw/zinc/83/73/05/564837305.db2.gz ZAKCSKXTXONCFK-UHFFFAOYSA-N -1 3 394.440 2.768 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000557819877 564878724 /nfs/dbraw/zinc/87/87/24/564878724.db2.gz KDVLPKQLRMRDJG-UHFFFAOYSA-N -1 3 387.299 2.684 20 30 GFEDHM Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000557837816 564880584 /nfs/dbraw/zinc/88/05/84/564880584.db2.gz CWDYMUOZNDCGLA-UHFFFAOYSA-N -1 3 380.267 2.545 20 30 GFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(NC(C)=O)ccc1Cl ZINC000463519915 564883175 /nfs/dbraw/zinc/88/31/75/564883175.db2.gz CIFWSXJYDJIMTJ-UHFFFAOYSA-N -1 3 379.825 2.979 20 30 GFEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000558780674 564914555 /nfs/dbraw/zinc/91/45/55/564914555.db2.gz FLLKABCGIYXDPK-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1nnc2n1CCCCC2 ZINC000560553646 564967499 /nfs/dbraw/zinc/96/74/99/564967499.db2.gz WZLUMGVCWVJPDT-LBPRGKRZSA-N -1 3 399.252 2.905 20 30 GFEDHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(F)(F)F ZINC000469295730 565012622 /nfs/dbraw/zinc/01/26/22/565012622.db2.gz NZIAXDDSZFRMDF-NSHDSACASA-N -1 3 390.305 2.823 20 30 GFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000503264365 565015981 /nfs/dbraw/zinc/01/59/81/565015981.db2.gz FJNSRZUYWGXILS-ZDUSSCGKSA-N -1 3 399.259 2.755 20 30 GFEDHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)CCCC#N ZINC000470624319 565051013 /nfs/dbraw/zinc/05/10/13/565051013.db2.gz WYTVUGKEGGMHPP-CQSZACIVSA-N -1 3 393.292 2.691 20 30 GFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c(F)c1 ZINC000588114680 565126596 /nfs/dbraw/zinc/12/65/96/565126596.db2.gz QNJUZYWZHBKAPV-UHFFFAOYSA-N -1 3 394.225 2.810 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCOCC1 ZINC000593602249 565346505 /nfs/dbraw/zinc/34/65/05/565346505.db2.gz NBWKFSFJBJDTNN-UHFFFAOYSA-N -1 3 380.466 2.829 20 30 GFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619753301 565358401 /nfs/dbraw/zinc/35/84/01/565358401.db2.gz VPSPWUYVIAAAMY-JTQLQIEISA-N -1 3 397.909 2.949 20 30 GFEDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000619753074 565358608 /nfs/dbraw/zinc/35/86/08/565358608.db2.gz KOJWAOPKBRRUGX-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000594864230 565431581 /nfs/dbraw/zinc/43/15/81/565431581.db2.gz DLGVVVOHLLNHQR-UHFFFAOYSA-N -1 3 376.503 2.911 20 30 GFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595327798 565465350 /nfs/dbraw/zinc/46/53/50/565465350.db2.gz UJSDBBOXUUAZLF-NSHDSACASA-N -1 3 376.272 2.869 20 30 GFEDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)C1(F)F ZINC000595350356 565467589 /nfs/dbraw/zinc/46/75/89/565467589.db2.gz AXNLGFNQVHQYEH-LLVKDONJSA-N -1 3 379.226 2.890 20 30 GFEDHM Cc1cc(S(N)(=O)=O)oc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000597180502 565554169 /nfs/dbraw/zinc/55/41/69/565554169.db2.gz PYADIMLSJIGBPI-JTQLQIEISA-N -1 3 379.463 2.740 20 30 GFEDHM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)C1 ZINC000625351623 565623446 /nfs/dbraw/zinc/62/34/46/565623446.db2.gz WRKKBHILAHXNIK-CYBMUJFWSA-N -1 3 390.502 2.563 20 30 GFEDHM C=CC(C)(C)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000628316746 565783221 /nfs/dbraw/zinc/78/32/21/565783221.db2.gz IENSOAXVGKXYFI-UHFFFAOYSA-N -1 3 395.344 2.507 20 30 GFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000736037668 598887300 /nfs/dbraw/zinc/88/73/00/598887300.db2.gz NLJDXNYKIKRQFE-KGLIPLIRSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000736037668 598887301 /nfs/dbraw/zinc/88/73/01/598887301.db2.gz NLJDXNYKIKRQFE-KGLIPLIRSA-N -1 3 393.403 2.516 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1cccc(C)c1 ZINC000737381429 598917165 /nfs/dbraw/zinc/91/71/65/598917165.db2.gz IDCJBOFBRIPKKY-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1cccc(C)c1 ZINC000737381429 598917166 /nfs/dbraw/zinc/91/71/66/598917166.db2.gz IDCJBOFBRIPKKY-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)ccc1-c1nnn[n-]1 ZINC000737709431 598918722 /nfs/dbraw/zinc/91/87/22/598918722.db2.gz NZMUCMZLOCEFFL-UHFFFAOYSA-N -1 3 396.794 2.805 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)ccc1-c1nn[n-]n1 ZINC000737709431 598918724 /nfs/dbraw/zinc/91/87/24/598918724.db2.gz NZMUCMZLOCEFFL-UHFFFAOYSA-N -1 3 396.794 2.805 20 30 GFEDHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737488284 598920456 /nfs/dbraw/zinc/92/04/56/598920456.db2.gz NPNXHTQYUYMOCC-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737488284 598920457 /nfs/dbraw/zinc/92/04/57/598920457.db2.gz NPNXHTQYUYMOCC-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM C=C(COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(=O)OCC ZINC000735402102 598921532 /nfs/dbraw/zinc/92/15/32/598921532.db2.gz HZCGECDEOVJHBH-UHFFFAOYSA-N -1 3 378.388 2.810 20 30 GFEDHM C=C(COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C(=O)OCC ZINC000735402102 598921534 /nfs/dbraw/zinc/92/15/34/598921534.db2.gz HZCGECDEOVJHBH-UHFFFAOYSA-N -1 3 378.388 2.810 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1-c1nnn[n-]1 ZINC000737720125 598927344 /nfs/dbraw/zinc/92/73/44/598927344.db2.gz YTALXBPSVIVZBZ-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1-c1nn[n-]n1 ZINC000737720125 598927345 /nfs/dbraw/zinc/92/73/45/598927345.db2.gz YTALXBPSVIVZBZ-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736312679 598933202 /nfs/dbraw/zinc/93/32/02/598933202.db2.gz JJLZONWZKRJBDR-FQEVSTJZSA-N -1 3 376.420 2.868 20 30 GFEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736312679 598933204 /nfs/dbraw/zinc/93/32/04/598933204.db2.gz JJLZONWZKRJBDR-FQEVSTJZSA-N -1 3 376.420 2.868 20 30 GFEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000737295931 598954574 /nfs/dbraw/zinc/95/45/74/598954574.db2.gz BQMNDIIHSURTOY-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000737295931 598954575 /nfs/dbraw/zinc/95/45/75/598954575.db2.gz BQMNDIIHSURTOY-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM CC(C)(C)OC(=O)NC1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819933653 607254334 /nfs/dbraw/zinc/25/43/34/607254334.db2.gz YOLNJEFQSUNWAS-UHFFFAOYSA-N -1 3 385.472 2.780 20 30 GFEDHM CC(C)(C)OC(=O)NC1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819933653 607254335 /nfs/dbraw/zinc/25/43/35/607254335.db2.gz YOLNJEFQSUNWAS-UHFFFAOYSA-N -1 3 385.472 2.780 20 30 GFEDHM C=CCNc1nnc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)s1 ZINC000735431823 599156878 /nfs/dbraw/zinc/15/68/78/599156878.db2.gz IZVMPILBIGAYIR-UHFFFAOYSA-N -1 3 399.465 2.658 20 30 GFEDHM C=CCNc1nnc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)s1 ZINC000735431823 599156881 /nfs/dbraw/zinc/15/68/81/599156881.db2.gz IZVMPILBIGAYIR-UHFFFAOYSA-N -1 3 399.465 2.658 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1-c1nnn[n-]1 ZINC000737082430 599155864 /nfs/dbraw/zinc/15/58/64/599155864.db2.gz VCRBJNGMXXEYDA-DJWKRKHSSA-N -1 3 391.309 2.891 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1-c1nn[n-]n1 ZINC000737082430 599155866 /nfs/dbraw/zinc/15/58/66/599155866.db2.gz VCRBJNGMXXEYDA-DJWKRKHSSA-N -1 3 391.309 2.891 20 30 GFEDHM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1-c1nnn[n-]1 ZINC000737719383 599198537 /nfs/dbraw/zinc/19/85/37/599198537.db2.gz SZUHNKMTQKQGRO-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1-c1nn[n-]n1 ZINC000737719383 599198538 /nfs/dbraw/zinc/19/85/38/599198538.db2.gz SZUHNKMTQKQGRO-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735409793 599217790 /nfs/dbraw/zinc/21/77/90/599217790.db2.gz LGVYXSYKIHYOOO-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735409793 599217792 /nfs/dbraw/zinc/21/77/92/599217792.db2.gz LGVYXSYKIHYOOO-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000736488316 599278664 /nfs/dbraw/zinc/27/86/64/599278664.db2.gz OJXFTFMPUWPIGU-CYBMUJFWSA-N -1 3 391.435 2.966 20 30 GFEDHM N#CC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)CC1 ZINC000737680150 598264481 /nfs/dbraw/zinc/26/44/81/598264481.db2.gz WLUTVJHRNGKQRH-UHFFFAOYSA-N -1 3 390.407 2.821 20 30 GFEDHM N#CC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC1 ZINC000737680150 598264482 /nfs/dbraw/zinc/26/44/82/598264482.db2.gz WLUTVJHRNGKQRH-UHFFFAOYSA-N -1 3 390.407 2.821 20 30 GFEDHM CN(C(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736736373 598308489 /nfs/dbraw/zinc/30/84/89/598308489.db2.gz DQYKWANDVYIIIF-UHFFFAOYSA-N -1 3 382.424 2.774 20 30 GFEDHM CN(C(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736736373 598308491 /nfs/dbraw/zinc/30/84/91/598308491.db2.gz DQYKWANDVYIIIF-UHFFFAOYSA-N -1 3 382.424 2.774 20 30 GFEDHM O=C(OCC#Cc1ccc(F)cc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823396903 607352823 /nfs/dbraw/zinc/35/28/23/607352823.db2.gz OKOOTSSZOZQKRZ-LJQANCHMSA-N -1 3 391.406 2.570 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202158 598376953 /nfs/dbraw/zinc/37/69/53/598376953.db2.gz KVMNORNOLLQTCR-HJWRWDBZSA-N -1 3 391.431 2.980 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202158 598376955 /nfs/dbraw/zinc/37/69/55/598376955.db2.gz KVMNORNOLLQTCR-HJWRWDBZSA-N -1 3 391.431 2.980 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000736183356 598382622 /nfs/dbraw/zinc/38/26/22/598382622.db2.gz KPUMLDNBSXXZDQ-IAQYHMDHSA-N -1 3 382.811 2.668 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000736183356 598382623 /nfs/dbraw/zinc/38/26/23/598382623.db2.gz KPUMLDNBSXXZDQ-IAQYHMDHSA-N -1 3 382.811 2.668 20 30 GFEDHM C#CCOc1cccc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735381778 598414383 /nfs/dbraw/zinc/41/43/83/598414383.db2.gz ZSZUKBUYYCDCPK-UHFFFAOYSA-N -1 3 394.456 2.855 20 30 GFEDHM C#CCOc1cccc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381778 598414384 /nfs/dbraw/zinc/41/43/84/598414384.db2.gz ZSZUKBUYYCDCPK-UHFFFAOYSA-N -1 3 394.456 2.855 20 30 GFEDHM C[C@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735507257 598566504 /nfs/dbraw/zinc/56/65/04/598566504.db2.gz ZNZBYKAASXCGCS-HJPCULJESA-N -1 3 386.371 2.502 20 30 GFEDHM C[C@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735507257 598566505 /nfs/dbraw/zinc/56/65/05/598566505.db2.gz ZNZBYKAASXCGCS-HJPCULJESA-N -1 3 386.371 2.502 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCc2c(F)cccc2Cl)nc1N ZINC000737705388 598568122 /nfs/dbraw/zinc/56/81/22/598568122.db2.gz POMLHISLMYULTJ-UHFFFAOYSA-N -1 3 375.820 2.843 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCc2c(F)cccc2Cl)nc1N ZINC000737705388 598568124 /nfs/dbraw/zinc/56/81/24/598568124.db2.gz POMLHISLMYULTJ-UHFFFAOYSA-N -1 3 375.820 2.843 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737035875 598573377 /nfs/dbraw/zinc/57/33/77/598573377.db2.gz XJOGZAMDCKNYGD-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737035875 598573378 /nfs/dbraw/zinc/57/33/78/598573378.db2.gz XJOGZAMDCKNYGD-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCOc1ccc(C=O)cc1 ZINC000735418149 598588480 /nfs/dbraw/zinc/58/84/80/598588480.db2.gz CKJQFXJRECAWLM-UHFFFAOYSA-N -1 3 391.431 2.663 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCOc1ccc(C=O)cc1 ZINC000735418149 598588482 /nfs/dbraw/zinc/58/84/82/598588482.db2.gz CKJQFXJRECAWLM-UHFFFAOYSA-N -1 3 391.431 2.663 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736512524 598610021 /nfs/dbraw/zinc/61/00/21/598610021.db2.gz KFQJAYAAIXGQFN-ZDUSSCGKSA-N -1 3 377.452 2.896 20 30 GFEDHM N#Cc1cc(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)ccc1F ZINC000737710467 598628285 /nfs/dbraw/zinc/62/82/85/598628285.db2.gz YDITXXQTSJOPBE-UHFFFAOYSA-N -1 3 397.439 2.932 20 30 GFEDHM N#Cc1cc(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)ccc1F ZINC000737710467 598628287 /nfs/dbraw/zinc/62/82/87/598628287.db2.gz YDITXXQTSJOPBE-UHFFFAOYSA-N -1 3 397.439 2.932 20 30 GFEDHM C=CCNC(=O)c1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735431953 598654553 /nfs/dbraw/zinc/65/45/53/598654553.db2.gz KWQMGYYUGUBGHJ-UHFFFAOYSA-N -1 3 394.460 2.513 20 30 GFEDHM C=CCNC(=O)c1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735431953 598654554 /nfs/dbraw/zinc/65/45/54/598654554.db2.gz KWQMGYYUGUBGHJ-UHFFFAOYSA-N -1 3 394.460 2.513 20 30 GFEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735689868 598685650 /nfs/dbraw/zinc/68/56/50/598685650.db2.gz DBWVMWALWQDJQG-IBGZPJMESA-N -1 3 377.408 2.722 20 30 GFEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735689868 598685652 /nfs/dbraw/zinc/68/56/52/598685652.db2.gz DBWVMWALWQDJQG-IBGZPJMESA-N -1 3 377.408 2.722 20 30 GFEDHM N#CC1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCC1 ZINC000737678456 598689217 /nfs/dbraw/zinc/68/92/17/598689217.db2.gz IEWHVTGNIHYNIE-UHFFFAOYSA-N -1 3 375.392 2.620 20 30 GFEDHM N#CC1(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCCC1 ZINC000737678456 598689219 /nfs/dbraw/zinc/68/92/19/598689219.db2.gz IEWHVTGNIHYNIE-UHFFFAOYSA-N -1 3 375.392 2.620 20 30 GFEDHM N#Cc1cn(Cc2ccc(F)cc2-c2nnn[n-]2)c2ccc(Cl)cc2c1=O ZINC000737728779 598721084 /nfs/dbraw/zinc/72/10/84/598721084.db2.gz VVNIXMHVXKUXSY-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cn(Cc2ccc(F)cc2-c2nn[n-]n2)c2ccc(Cl)cc2c1=O ZINC000737728779 598721086 /nfs/dbraw/zinc/72/10/86/598721086.db2.gz VVNIXMHVXKUXSY-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cn(Cc2ccc(-c3nnn[n-]3)cc2F)c2ccc(Cl)cc2c1=O ZINC000737727874 598721349 /nfs/dbraw/zinc/72/13/49/598721349.db2.gz CYSXMPAGNMGZLW-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cn(Cc2ccc(-c3nn[n-]n3)cc2F)c2ccc(Cl)cc2c1=O ZINC000737727874 598721351 /nfs/dbraw/zinc/72/13/51/598721351.db2.gz CYSXMPAGNMGZLW-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000737247028 598756340 /nfs/dbraw/zinc/75/63/40/598756340.db2.gz XQSBDZURPBQOPS-UHFFFAOYSA-N -1 3 375.436 2.798 20 30 GFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000737247028 598756341 /nfs/dbraw/zinc/75/63/41/598756341.db2.gz XQSBDZURPBQOPS-UHFFFAOYSA-N -1 3 375.436 2.798 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1C(=O)OC ZINC000735426075 598760270 /nfs/dbraw/zinc/76/02/70/598760270.db2.gz JYCFZOLPQUKISA-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1C(=O)OC ZINC000735426075 598760271 /nfs/dbraw/zinc/76/02/71/598760271.db2.gz JYCFZOLPQUKISA-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736162161 598801553 /nfs/dbraw/zinc/80/15/53/598801553.db2.gz HRKWFPKSMUXWIN-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736162161 598801554 /nfs/dbraw/zinc/80/15/54/598801554.db2.gz HRKWFPKSMUXWIN-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736190991 599330413 /nfs/dbraw/zinc/33/04/13/599330413.db2.gz UYOAHIWUFFRZEC-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736190991 599330416 /nfs/dbraw/zinc/33/04/16/599330416.db2.gz UYOAHIWUFFRZEC-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM COc1ccccc1NC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821898542 599331943 /nfs/dbraw/zinc/33/19/43/599331943.db2.gz PYQLTKKKZLCPPE-UHFFFAOYSA-N -1 3 393.476 2.902 20 30 GFEDHM COc1ccccc1NC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821898542 599331946 /nfs/dbraw/zinc/33/19/46/599331946.db2.gz PYQLTKKKZLCPPE-UHFFFAOYSA-N -1 3 393.476 2.902 20 30 GFEDHM S=C(NCCc1cccs1)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823732754 599336247 /nfs/dbraw/zinc/33/62/47/599336247.db2.gz PLZKVFRQUWEUHA-UHFFFAOYSA-N -1 3 397.533 2.675 20 30 GFEDHM S=C(NCCc1cccs1)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823732754 599336250 /nfs/dbraw/zinc/33/62/50/599336250.db2.gz PLZKVFRQUWEUHA-UHFFFAOYSA-N -1 3 397.533 2.675 20 30 GFEDHM C#CCN(CC#CC)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819698270 599675154 /nfs/dbraw/zinc/67/51/54/599675154.db2.gz WAJLBLWXTBEPSQ-UHFFFAOYSA-N -1 3 390.472 2.763 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820169667 607429846 /nfs/dbraw/zinc/42/98/46/607429846.db2.gz MYZYKQOYLRZGEA-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820169667 607429847 /nfs/dbraw/zinc/42/98/47/607429847.db2.gz MYZYKQOYLRZGEA-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826385220 607432510 /nfs/dbraw/zinc/43/25/10/607432510.db2.gz BWSYRCXNPNWXRZ-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826385220 607432511 /nfs/dbraw/zinc/43/25/11/607432511.db2.gz BWSYRCXNPNWXRZ-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000739106478 600568530 /nfs/dbraw/zinc/56/85/30/600568530.db2.gz SEACUFMECZRNFR-ROUUACIJSA-N -1 3 382.395 2.719 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823932308 607456266 /nfs/dbraw/zinc/45/62/66/607456266.db2.gz UCSIBSKQXAJKQR-UHFFFAOYSA-N -1 3 390.447 2.920 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823932308 607456267 /nfs/dbraw/zinc/45/62/67/607456267.db2.gz UCSIBSKQXAJKQR-UHFFFAOYSA-N -1 3 390.447 2.920 20 30 GFEDHM C#CCN1CCC(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1 ZINC000736080416 600602749 /nfs/dbraw/zinc/60/27/49/600602749.db2.gz VRUBWWAMELMSKH-OAQYLSRUSA-N -1 3 378.472 2.545 20 30 GFEDHM N#CCn1c(=O)c2ccccc2nc1CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833069476 601541992 /nfs/dbraw/zinc/54/19/92/601541992.db2.gz ZXYREKXLLFKYPQ-VQIMIIECSA-N -1 3 394.475 2.775 20 30 GFEDHM N#CCn1c(=O)c2ccccc2nc1CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833069474 601542070 /nfs/dbraw/zinc/54/20/70/601542070.db2.gz ZXYREKXLLFKYPQ-LPHOPBHVSA-N -1 3 394.475 2.775 20 30 GFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000826383836 607577660 /nfs/dbraw/zinc/57/76/60/607577660.db2.gz SKRDMGHUSWGLET-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000826383836 607577662 /nfs/dbraw/zinc/57/76/62/607577662.db2.gz SKRDMGHUSWGLET-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)NC(=O)[O-])cc1Cl ZINC000739915867 602926731 /nfs/dbraw/zinc/92/67/31/602926731.db2.gz JXZNCOINDBWVDP-LLVKDONJSA-N -1 3 381.816 2.822 20 30 GFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826256495 607649187 /nfs/dbraw/zinc/64/91/87/607649187.db2.gz MEGYYLCGEBDOEN-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000826245985 607658022 /nfs/dbraw/zinc/65/80/22/607658022.db2.gz NYDFMOCDDMDRIY-HNNXBMFYSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000826245985 607658023 /nfs/dbraw/zinc/65/80/23/607658023.db2.gz NYDFMOCDDMDRIY-HNNXBMFYSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000826245499 607684559 /nfs/dbraw/zinc/68/45/59/607684559.db2.gz ZRSXXORPXUVVMN-UHFFFAOYSA-N -1 3 388.431 2.730 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000826245499 607684561 /nfs/dbraw/zinc/68/45/61/607684561.db2.gz ZRSXXORPXUVVMN-UHFFFAOYSA-N -1 3 388.431 2.730 20 30 GFEDHM C=CCN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)CC1 ZINC000833377076 604490793 /nfs/dbraw/zinc/49/07/93/604490793.db2.gz LLCDOTOYDVBGHP-UHFFFAOYSA-N -1 3 383.452 2.651 20 30 GFEDHM C[C@@H]1CN(c2cccc(F)c2C#N)CCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000736295709 606165708 /nfs/dbraw/zinc/16/57/08/606165708.db2.gz WPMLUZVLMDFMLT-GFCCVEGCSA-N -1 3 381.390 2.732 20 30 GFEDHM C[C@@H]1CN(c2cccc(F)c2C#N)CCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000736295709 606165710 /nfs/dbraw/zinc/16/57/10/606165710.db2.gz WPMLUZVLMDFMLT-GFCCVEGCSA-N -1 3 381.390 2.732 20 30 GFEDHM N#C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000822800958 606169732 /nfs/dbraw/zinc/16/97/32/606169732.db2.gz BUBWJQPIWKYUCA-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000822800958 606169734 /nfs/dbraw/zinc/16/97/34/606169734.db2.gz BUBWJQPIWKYUCA-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM NC(=NOCc1cn2ccccc2c1-c1nnn[n-]1)c1nccc2ccccc21 ZINC000822850608 606177459 /nfs/dbraw/zinc/17/74/59/606177459.db2.gz LLWOXNCKXMXBPL-UHFFFAOYSA-N -1 3 384.403 2.505 20 30 GFEDHM NC(=NOCc1cn2ccccc2c1-c1nn[n-]n1)c1nccc2ccccc21 ZINC000822850608 606177460 /nfs/dbraw/zinc/17/74/60/606177460.db2.gz LLWOXNCKXMXBPL-UHFFFAOYSA-N -1 3 384.403 2.505 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820525577 606434762 /nfs/dbraw/zinc/43/47/62/606434762.db2.gz GGPHNCRYZJPSEL-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822801959 606447155 /nfs/dbraw/zinc/44/71/55/606447155.db2.gz SGPXMGNELISPOH-ROUUACIJSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822801959 606447157 /nfs/dbraw/zinc/44/71/57/606447157.db2.gz SGPXMGNELISPOH-ROUUACIJSA-N -1 3 388.431 2.544 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820842341 606680024 /nfs/dbraw/zinc/68/00/24/606680024.db2.gz METHQMOPQULNIB-CYBMUJFWSA-N -1 3 398.373 2.756 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820842341 606680025 /nfs/dbraw/zinc/68/00/25/606680025.db2.gz METHQMOPQULNIB-CYBMUJFWSA-N -1 3 398.373 2.756 20 30 GFEDHM C#CCOCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819701572 606823371 /nfs/dbraw/zinc/82/33/71/606823371.db2.gz JPBIOTJNJPEOHQ-UHFFFAOYSA-N -1 3 394.456 2.966 20 30 GFEDHM C#CCOCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819701572 606823373 /nfs/dbraw/zinc/82/33/73/606823373.db2.gz JPBIOTJNJPEOHQ-UHFFFAOYSA-N -1 3 394.456 2.966 20 30 GFEDHM C=CCc1ccccc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819759319 606884390 /nfs/dbraw/zinc/88/43/90/606884390.db2.gz UEZZUMPLDZVKKN-UHFFFAOYSA-N -1 3 378.360 2.641 20 30 GFEDHM C=CCc1ccccc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819759319 606884391 /nfs/dbraw/zinc/88/43/91/606884391.db2.gz UEZZUMPLDZVKKN-UHFFFAOYSA-N -1 3 378.360 2.641 20 30 GFEDHM N#Cc1cc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822818519 606999201 /nfs/dbraw/zinc/99/92/01/606999201.db2.gz BFDGFEWMBLILCN-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM C=CCn1c(SCc2cc(-c3nnn[n-]3)ccc2F)nnc1-c1cnccn1 ZINC000819763758 607016647 /nfs/dbraw/zinc/01/66/47/607016647.db2.gz CMZIFFAUSPVUEC-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM C=CCn1c(SCc2cc(-c3nn[n-]n3)ccc2F)nnc1-c1cnccn1 ZINC000819763758 607016648 /nfs/dbraw/zinc/01/66/48/607016648.db2.gz CMZIFFAUSPVUEC-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM CC(C)(C#N)c1ccccc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000819891953 607132725 /nfs/dbraw/zinc/13/27/25/607132725.db2.gz NHHVLAMACOGWDT-UHFFFAOYSA-N -1 3 376.449 2.809 20 30 GFEDHM CC(C)(C#N)c1ccccc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000819891953 607132727 /nfs/dbraw/zinc/13/27/27/607132727.db2.gz NHHVLAMACOGWDT-UHFFFAOYSA-N -1 3 376.449 2.809 20 30 GFEDHM CN(N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)C(=S)NCc1ccccc1 ZINC000821618998 607145491 /nfs/dbraw/zinc/14/54/91/607145491.db2.gz DXMLZGXBCDZVRG-UHFFFAOYSA-N -1 3 390.476 2.688 20 30 GFEDHM CN(N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)C(=S)NCc1ccccc1 ZINC000821618998 607145494 /nfs/dbraw/zinc/14/54/94/607145494.db2.gz DXMLZGXBCDZVRG-UHFFFAOYSA-N -1 3 390.476 2.688 20 30 GFEDHM N#Cc1ccc(OCCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822833282 607201193 /nfs/dbraw/zinc/20/11/93/607201193.db2.gz NLZFVPAZXGYNTO-UHFFFAOYSA-N -1 3 383.799 2.592 20 30 GFEDHM N#Cc1ccc(OCCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822833282 607201194 /nfs/dbraw/zinc/20/11/94/607201194.db2.gz NLZFVPAZXGYNTO-UHFFFAOYSA-N -1 3 383.799 2.592 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000826011023 607842934 /nfs/dbraw/zinc/84/29/34/607842934.db2.gz UJTQEEAAQYZOED-YVMONPNESA-N -1 3 377.379 2.811 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000826011023 607842935 /nfs/dbraw/zinc/84/29/35/607842935.db2.gz UJTQEEAAQYZOED-YVMONPNESA-N -1 3 377.379 2.811 20 30 GFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)OCC ZINC000823872767 607920272 /nfs/dbraw/zinc/92/02/72/607920272.db2.gz DGDCDYYXQZNXMM-ZDUSSCGKSA-N -1 3 382.367 2.883 20 30 GFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)OCC ZINC000823872767 607920273 /nfs/dbraw/zinc/92/02/73/607920273.db2.gz DGDCDYYXQZNXMM-ZDUSSCGKSA-N -1 3 382.367 2.883 20 30 GFEDHM C#CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000799794505 607937692 /nfs/dbraw/zinc/93/76/92/607937692.db2.gz WZJNSYFCFCPQRT-INIZCTEOSA-N -1 3 387.852 2.563 20 30 GFEDHM C#CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000799794505 607937693 /nfs/dbraw/zinc/93/76/93/607937693.db2.gz WZJNSYFCFCPQRT-INIZCTEOSA-N -1 3 387.852 2.563 20 30 GFEDHM C#CC[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838246 607956413 /nfs/dbraw/zinc/95/64/13/607956413.db2.gz MSHIBFQVONWCLJ-SFHVURJKSA-N -1 3 377.473 2.981 20 30 GFEDHM C#CC[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838246 607956414 /nfs/dbraw/zinc/95/64/14/607956414.db2.gz MSHIBFQVONWCLJ-SFHVURJKSA-N -1 3 377.473 2.981 20 30 GFEDHM C#CCNC(=S)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000823851074 607966972 /nfs/dbraw/zinc/96/69/72/607966972.db2.gz YZBSEWFHELWEIS-UHFFFAOYSA-N -1 3 380.452 2.829 20 30 GFEDHM C#CCNC(=S)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000823851074 607966973 /nfs/dbraw/zinc/96/69/73/607966973.db2.gz YZBSEWFHELWEIS-UHFFFAOYSA-N -1 3 380.452 2.829 20 30 GFEDHM C=C[C@@H](CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823882950 607980698 /nfs/dbraw/zinc/98/06/98/607980698.db2.gz GWXPJTKKOONGER-AWEZNQCLSA-N -1 3 395.419 2.918 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386826 608052487 /nfs/dbraw/zinc/05/24/87/608052487.db2.gz ULTJORRHISPCBM-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386826 608052488 /nfs/dbraw/zinc/05/24/88/608052488.db2.gz ULTJORRHISPCBM-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM C=CCOc1ccccc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823931866 608081719 /nfs/dbraw/zinc/08/17/19/608081719.db2.gz IFZWDMDBUJTTQS-LJQANCHMSA-N -1 3 391.431 2.645 20 30 GFEDHM C=CCOc1ccccc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823931866 608081720 /nfs/dbraw/zinc/08/17/20/608081720.db2.gz IFZWDMDBUJTTQS-LJQANCHMSA-N -1 3 391.431 2.645 20 30 GFEDHM C[C@H]1CC(=NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)NO1 ZINC000824892349 608212955 /nfs/dbraw/zinc/21/29/55/608212955.db2.gz HCMWXVWMUNDUGX-NSHDSACASA-N -1 3 380.433 2.870 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)c1 ZINC000826386495 608235226 /nfs/dbraw/zinc/23/52/26/608235226.db2.gz HQUQOPFJKVYHRQ-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)c1 ZINC000826386495 608235228 /nfs/dbraw/zinc/23/52/28/608235228.db2.gz HQUQOPFJKVYHRQ-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826332140 608309089 /nfs/dbraw/zinc/30/90/89/608309089.db2.gz LBVJXBXADZOXPZ-UHFFFAOYSA-N -1 3 384.447 2.865 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826332140 608309091 /nfs/dbraw/zinc/30/90/91/608309091.db2.gz LBVJXBXADZOXPZ-UHFFFAOYSA-N -1 3 384.447 2.865 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000826350385 608538990 /nfs/dbraw/zinc/53/89/90/608538990.db2.gz TZYWISXINRTUFQ-OAHLLOKOSA-N -1 3 399.842 2.919 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000826350385 608538991 /nfs/dbraw/zinc/53/89/91/608538991.db2.gz TZYWISXINRTUFQ-OAHLLOKOSA-N -1 3 399.842 2.919 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826384248 608866620 /nfs/dbraw/zinc/86/66/20/608866620.db2.gz MZSNZKDGPXVDFQ-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826384248 608866624 /nfs/dbraw/zinc/86/66/24/608866624.db2.gz MZSNZKDGPXVDFQ-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM C#CCCCCCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823841344 609132907 /nfs/dbraw/zinc/13/29/07/609132907.db2.gz LLKQRZZVNJUOJA-UHFFFAOYSA-N -1 3 375.816 2.586 20 30 GFEDHM C#CCCCCCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823841344 609132908 /nfs/dbraw/zinc/13/29/08/609132908.db2.gz LLKQRZZVNJUOJA-UHFFFAOYSA-N -1 3 375.816 2.586 20 30 GFEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958645 609158089 /nfs/dbraw/zinc/15/80/89/609158089.db2.gz UOEIJXJCQQYUFC-UHFFFAOYSA-N -1 3 386.303 2.658 20 30 GFEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958645 609158090 /nfs/dbraw/zinc/15/80/90/609158090.db2.gz UOEIJXJCQQYUFC-UHFFFAOYSA-N -1 3 386.303 2.658 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000823861228 609158581 /nfs/dbraw/zinc/15/85/81/609158581.db2.gz ACZJYMGBXOEDIH-UHFFFAOYSA-N -1 3 379.424 2.698 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000823861228 609158583 /nfs/dbraw/zinc/15/85/83/609158583.db2.gz ACZJYMGBXOEDIH-UHFFFAOYSA-N -1 3 379.424 2.698 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824034759 609164387 /nfs/dbraw/zinc/16/43/87/609164387.db2.gz OOURRYWTGYWPBK-LLVKDONJSA-N -1 3 381.371 2.618 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824034759 609164388 /nfs/dbraw/zinc/16/43/88/609164388.db2.gz OOURRYWTGYWPBK-LLVKDONJSA-N -1 3 381.371 2.618 20 30 GFEDHM N#CCc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826382833 609237719 /nfs/dbraw/zinc/23/77/19/609237719.db2.gz XECZTAQBZRYBET-UHFFFAOYSA-N -1 3 397.782 2.676 20 30 GFEDHM N#CCc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826382833 609237720 /nfs/dbraw/zinc/23/77/20/609237720.db2.gz XECZTAQBZRYBET-UHFFFAOYSA-N -1 3 397.782 2.676 20 30 GFEDHM Cn1cc(C=C2COc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359947 609308350 /nfs/dbraw/zinc/30/83/50/609308350.db2.gz TYHXKUUBCHZFFM-MHWRWJLKSA-N -1 3 384.399 2.926 20 30 GFEDHM Cn1cc(C=C2COc3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359947 609308352 /nfs/dbraw/zinc/30/83/52/609308352.db2.gz TYHXKUUBCHZFFM-MHWRWJLKSA-N -1 3 384.399 2.926 20 30 GFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2Br)o1 ZINC000826498409 609326648 /nfs/dbraw/zinc/32/66/48/609326648.db2.gz SYQSIZHWIXDJBF-UHFFFAOYSA-N -1 3 393.157 2.681 20 30 GFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2Br)o1 ZINC000826498409 609326650 /nfs/dbraw/zinc/32/66/50/609326650.db2.gz SYQSIZHWIXDJBF-UHFFFAOYSA-N -1 3 393.157 2.681 20 30 GFEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823919763 609353341 /nfs/dbraw/zinc/35/33/41/609353341.db2.gz PMROPWVSIUWZEG-ZDUSSCGKSA-N -1 3 393.403 2.507 20 30 GFEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823919763 609353345 /nfs/dbraw/zinc/35/33/45/609353345.db2.gz PMROPWVSIUWZEG-ZDUSSCGKSA-N -1 3 393.403 2.507 20 30 GFEDHM O=C1[C@H](ON=Cc2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478075 609428487 /nfs/dbraw/zinc/42/84/87/609428487.db2.gz TXYVRIXIPGDDPK-QGZVFWFLSA-N -1 3 380.383 2.552 20 30 GFEDHM O=C1[C@H](ON=Cc2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478075 609428489 /nfs/dbraw/zinc/42/84/89/609428489.db2.gz TXYVRIXIPGDDPK-QGZVFWFLSA-N -1 3 380.383 2.552 20 30 GFEDHM O=C1[C@@H](ON=Cc2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826478074 609428700 /nfs/dbraw/zinc/42/87/00/609428700.db2.gz TXYVRIXIPGDDPK-KRWDZBQOSA-N -1 3 380.383 2.552 20 30 GFEDHM O=C1[C@@H](ON=Cc2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826478074 609428702 /nfs/dbraw/zinc/42/87/02/609428702.db2.gz TXYVRIXIPGDDPK-KRWDZBQOSA-N -1 3 380.383 2.552 20 30 GFEDHM N#Cc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1F ZINC000826386777 609482670 /nfs/dbraw/zinc/48/26/70/609482670.db2.gz SIKHAZLUDWIKCT-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM NC(=O)CO[N-]C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000831920733 660737371 /nfs/dbraw/zinc/73/73/71/660737371.db2.gz AKJFWNUJDMEADH-UHFFFAOYSA-N -1 3 377.216 2.514 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000270857436 655057814 /nfs/dbraw/zinc/05/78/14/655057814.db2.gz QCGQGEOFFDYMNK-GXSJLCMTSA-N -1 3 390.305 2.557 20 30 GFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000264305113 655460463 /nfs/dbraw/zinc/46/04/63/655460463.db2.gz RYDVJIBUTUSZEO-JTQLQIEISA-N -1 3 380.388 2.997 20 30 GFEDHM COc1cc(C=NN2C(=S)N=NC2n2nc(C)cc2C)cc(Cl)c1[O-] ZINC000730567436 655576608 /nfs/dbraw/zinc/57/66/08/655576608.db2.gz BLWJZOUYQBLTOO-UHFFFAOYSA-N -1 3 378.845 2.619 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CC)C(F)(F)F)ccc1F ZINC000742203430 655712209 /nfs/dbraw/zinc/71/22/09/655712209.db2.gz JXMMDIYZLSTAFK-AWEZNQCLSA-N -1 3 382.379 2.751 20 30 GFEDHM C#CCC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000742296927 655714425 /nfs/dbraw/zinc/71/44/25/655714425.db2.gz HOCMSDLGOBFVQA-UHFFFAOYSA-N -1 3 381.089 2.822 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCSCC)ccc1F ZINC000743800480 655731782 /nfs/dbraw/zinc/73/17/82/655731782.db2.gz ADHYFMHESBFNBG-ZDUSSCGKSA-N -1 3 388.530 2.894 20 30 GFEDHM O=C1CN(N=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)[N-]1 ZINC000744807343 655745268 /nfs/dbraw/zinc/74/52/68/655745268.db2.gz YFCHIECLEITJKB-UHFFFAOYSA-N -1 3 388.221 2.914 20 30 GFEDHM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)nc1 ZINC000755567473 655885807 /nfs/dbraw/zinc/88/58/07/655885807.db2.gz YCUQPAVDXZNVKL-UHFFFAOYSA-N -1 3 376.239 2.979 20 30 GFEDHM [O-]c1ccc(C=NN2C(=S)N=NC2c2cccc(Br)c2)nc1 ZINC000755604198 655886167 /nfs/dbraw/zinc/88/61/67/655886167.db2.gz LPWRCBWMINNAMT-UHFFFAOYSA-N -1 3 376.239 2.979 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)[C@@H](C)C(F)(F)F)ccc1F ZINC000794206123 658500660 /nfs/dbraw/zinc/50/06/60/658500660.db2.gz AJMBRYBQQKYFJV-JTQLQIEISA-N -1 3 382.379 2.703 20 30 GFEDHM COc1ccccc1CCNC(=O)C/N=C\c1cc(Br)ccc1[O-] ZINC000797784773 659050729 /nfs/dbraw/zinc/05/07/29/659050729.db2.gz ICZTWIITLDZPTC-JAIQZWGSSA-N -1 3 391.265 2.941 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C(F)F)ccc1F ZINC000800207852 659292116 /nfs/dbraw/zinc/29/21/16/659292116.db2.gz FNYQVFAYYOGLHW-ZDUSSCGKSA-N -1 3 376.400 2.550 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)ccc1F ZINC000844812654 661441921 /nfs/dbraw/zinc/44/19/21/661441921.db2.gz FNANCGCOMTUKCP-JKSUJKDBSA-N -1 3 392.855 2.725 20 30 GFEDHM Cc1cc(Br)c(Cl)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000880095214 662951031 /nfs/dbraw/zinc/95/10/31/662951031.db2.gz YSFFUXFAHXTYAK-SNVBAGLBSA-N -1 3 376.638 2.913 20 30 GFEDHM CS(=O)(=O)N1CCC(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901378903 663734904 /nfs/dbraw/zinc/73/49/04/663734904.db2.gz MEIDOXIWPDDMQS-UHFFFAOYSA-N -1 3 395.308 2.773 20 30 GFEDHM Cc1cc(Cl)cc(C)c1OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000905696840 663887264 /nfs/dbraw/zinc/88/72/64/663887264.db2.gz AZWYGWWLXNNCNC-UHFFFAOYSA-N -1 3 378.837 2.601 20 30 GFEDHM C#CCN1CCC(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000909756961 664173085 /nfs/dbraw/zinc/17/30/85/664173085.db2.gz ROSGAHVUXBGDTQ-GOSISDBHSA-N -1 3 383.275 2.755 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC(=O)Nc2ccccc21 ZINC000125166655 551319993 /nfs/dbraw/zinc/31/99/93/551319993.db2.gz HZHNTAVCXQIVQR-GFCCVEGCSA-N -1 3 375.837 2.616 20 30 GFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000125219523 551320904 /nfs/dbraw/zinc/32/09/04/551320904.db2.gz MEZCYRRRKUGYHT-GFCCVEGCSA-N -1 3 390.408 2.959 20 30 GFEDHM COc1ccc(COCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000180293176 552221390 /nfs/dbraw/zinc/22/13/90/552221390.db2.gz CZXRNDZSHFLGLX-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)c1 ZINC000184283967 552331618 /nfs/dbraw/zinc/33/16/18/552331618.db2.gz WPXGBKRLGSYSPQ-UHFFFAOYSA-N -1 3 377.853 2.874 20 30 GFEDHM CCOC1CC(C/N=C/c2cc(Br)ccc2[O-])(N2CCOCC2)C1 ZINC000193738605 553001423 /nfs/dbraw/zinc/00/14/23/553001423.db2.gz TVNCFHPCHIRGMJ-UDWIEESQSA-N -1 3 397.313 2.844 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373823966 563352434 /nfs/dbraw/zinc/35/24/34/563352434.db2.gz PGTIWUZNLUECNG-LBPRGKRZSA-N -1 3 385.511 2.688 20 30 GFEDHM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000425207656 563410571 /nfs/dbraw/zinc/41/05/71/563410571.db2.gz QNVNAQLCJYAHOR-VIFPVBQESA-N -1 3 399.881 2.689 20 30 GFEDHM C[C@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428415844 563491520 /nfs/dbraw/zinc/49/15/20/563491520.db2.gz AEVFLAVMPXGYAR-SNVBAGLBSA-N -1 3 398.257 2.764 20 30 GFEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000433872080 563621979 /nfs/dbraw/zinc/62/19/79/563621979.db2.gz ZLNJBECNRMFHKI-UHFFFAOYSA-N -1 3 386.296 2.818 20 30 GFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(SC)cc1 ZINC000435431115 563650441 /nfs/dbraw/zinc/65/04/41/563650441.db2.gz BYVHMBXFDCIVPN-CQSZACIVSA-N -1 3 396.515 2.924 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000435601567 563654376 /nfs/dbraw/zinc/65/43/76/563654376.db2.gz OFCLYWWBVPMPAY-HZMBPMFUSA-N -1 3 378.263 2.848 20 30 GFEDHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000442849537 563782419 /nfs/dbraw/zinc/78/24/19/563782419.db2.gz UDCFPMXIRZKZLB-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCN(C2CCCC2)C1 ZINC000416385927 563821369 /nfs/dbraw/zinc/82/13/69/563821369.db2.gz KBHXBPMRINNXGA-CQSZACIVSA-N -1 3 398.326 2.616 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC000416403241 563823263 /nfs/dbraw/zinc/82/32/63/563823263.db2.gz NBGQFZJNGIXHNR-CQSZACIVSA-N -1 3 387.299 2.540 20 30 GFEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ncc[nH]1 ZINC000416481661 563835763 /nfs/dbraw/zinc/83/57/63/563835763.db2.gz CYQDHKVFTGBQKM-ZDUSSCGKSA-N -1 3 383.271 2.719 20 30 GFEDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000416502462 563839945 /nfs/dbraw/zinc/83/99/45/563839945.db2.gz MERNBMKNUMYILC-NSHDSACASA-N -1 3 387.299 2.804 20 30 GFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000447019619 563872568 /nfs/dbraw/zinc/87/25/68/563872568.db2.gz XTHVCTKLKGTJQL-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)s1 ZINC000369173288 563888588 /nfs/dbraw/zinc/88/85/88/563888588.db2.gz GPKMHNOUUZABEK-UHFFFAOYSA-N -1 3 380.838 2.802 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369213957 563890146 /nfs/dbraw/zinc/89/01/46/563890146.db2.gz IAVKBLVUKCKWBN-QWRGUYRKSA-N -1 3 383.861 2.519 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)NCC(F)(F)C(F)F)cc(C(F)(F)F)c1 ZINC000473230828 564241657 /nfs/dbraw/zinc/24/16/57/564241657.db2.gz RUROFSUVRSBJCB-UHFFFAOYSA-N -1 3 396.284 2.707 20 30 GFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000450997209 564261280 /nfs/dbraw/zinc/26/12/80/564261280.db2.gz JBHUKQMOPDYNKO-SNVBAGLBSA-N -1 3 398.653 2.771 20 30 GFEDHM C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000451896440 564363582 /nfs/dbraw/zinc/36/35/82/564363582.db2.gz BTKWGCPOAHVKGG-KBPBESRZSA-N -1 3 375.535 2.591 20 30 GFEDHM C=CCC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCCC1 ZINC000451953421 564372466 /nfs/dbraw/zinc/37/24/66/564372466.db2.gz SUCMHLWETGUJHE-UHFFFAOYSA-N -1 3 390.502 2.612 20 30 GFEDHM C=C(C)CCNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000452720746 564427337 /nfs/dbraw/zinc/42/73/37/564427337.db2.gz FBJIDTCRGWHQQF-UHFFFAOYSA-N -1 3 384.807 2.720 20 30 GFEDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000569370991 564460806 /nfs/dbraw/zinc/46/08/06/564460806.db2.gz JHQVVVLCTOOTLK-LLVKDONJSA-N -1 3 375.288 2.804 20 30 GFEDHM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1F ZINC000548367969 564550401 /nfs/dbraw/zinc/55/04/01/564550401.db2.gz BBBGMQAAIDLUFK-VIFPVBQESA-N -1 3 394.312 2.759 20 30 GFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)c2nccn21 ZINC000520730671 564610850 /nfs/dbraw/zinc/61/08/50/564610850.db2.gz GMRPYMMLYVLYJJ-BXKDBHETSA-N -1 3 381.255 2.502 20 30 GFEDHM N#Cc1ccncc1C(=O)[N-]c1ncn(Cc2ccc(Br)cc2)n1 ZINC000575356115 564697773 /nfs/dbraw/zinc/69/77/73/564697773.db2.gz WNXPRDMWDZDTGH-UHFFFAOYSA-N -1 3 383.209 2.608 20 30 GFEDHM O=S(=O)([N-]CCOCC(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC000489117865 564730371 /nfs/dbraw/zinc/73/03/71/564730371.db2.gz RDNLGFMPWQDRJH-UHFFFAOYSA-N -1 3 385.257 2.582 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000489274790 564734261 /nfs/dbraw/zinc/73/42/61/564734261.db2.gz GIJCDTUTGFVEHC-UHFFFAOYSA-N -1 3 382.379 2.653 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000489811497 564753545 /nfs/dbraw/zinc/75/35/45/564753545.db2.gz YRPWKVINYRQWBC-ZDUSSCGKSA-N -1 3 377.293 2.984 20 30 GFEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000528546432 564793179 /nfs/dbraw/zinc/79/31/79/564793179.db2.gz KYTDTQQSCKDETG-INIZCTEOSA-N -1 3 399.303 2.841 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000467655914 564969398 /nfs/dbraw/zinc/96/93/98/564969398.db2.gz KCFFSJGRDFDWBV-JTQLQIEISA-N -1 3 382.507 2.733 20 30 GFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccs1 ZINC000613906048 565085728 /nfs/dbraw/zinc/08/57/28/565085728.db2.gz IKTNQZVZYLTRIV-GFCCVEGCSA-N -1 3 384.866 2.856 20 30 GFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccccc1 ZINC000585708309 565106431 /nfs/dbraw/zinc/10/64/31/565106431.db2.gz YTUHSPGSWDSAPN-HNNXBMFYSA-N -1 3 395.278 2.987 20 30 GFEDHM C[C@](CO)([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccc1 ZINC000588116107 565126334 /nfs/dbraw/zinc/12/63/34/565126334.db2.gz YFSRJQPAADTJNI-MRXNPFEDSA-N -1 3 395.278 2.507 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCN1CCc2c(Cl)cccc2C1 ZINC000593588322 565345342 /nfs/dbraw/zinc/34/53/42/565345342.db2.gz KSNCOPWLTOJNNQ-UHFFFAOYSA-N -1 3 381.910 2.610 20 30 GFEDHM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)n1 ZINC000594781416 565420817 /nfs/dbraw/zinc/42/08/17/565420817.db2.gz RTUFXECVHSEQTG-UHFFFAOYSA-N -1 3 376.463 2.986 20 30 GFEDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000594850791 565429600 /nfs/dbraw/zinc/42/96/00/565429600.db2.gz YFIMXMONAGAIBR-UHFFFAOYSA-N -1 3 375.288 2.804 20 30 GFEDHM Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000594859182 565430235 /nfs/dbraw/zinc/43/02/35/565430235.db2.gz BSEAMNQUUXRENO-HOCLYGCPSA-N -1 3 378.885 2.635 20 30 GFEDHM Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000594859222 565431586 /nfs/dbraw/zinc/43/15/86/565431586.db2.gz CPGBAYGXNRARAZ-XJKSGUPXSA-N -1 3 378.885 2.635 20 30 GFEDHM C=CC[C@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000664510340 565465792 /nfs/dbraw/zinc/46/57/92/565465792.db2.gz ANYZELVXICAZNM-LBPRGKRZSA-N -1 3 391.946 2.678 20 30 GFEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCC#N)C(C)C)cc1 ZINC000610084992 566065970 /nfs/dbraw/zinc/06/59/70/566065970.db2.gz XFGIBHCZAIKCCE-UHFFFAOYSA-N -1 3 387.527 2.541 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736037669 598887518 /nfs/dbraw/zinc/88/75/18/598887518.db2.gz NLJDXNYKIKRQFE-UONOGXRCSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736037669 598887520 /nfs/dbraw/zinc/88/75/20/598887520.db2.gz NLJDXNYKIKRQFE-UONOGXRCSA-N -1 3 393.403 2.516 20 30 GFEDHM C=CCc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(OC)c1OC ZINC000735443013 598913138 /nfs/dbraw/zinc/91/31/38/598913138.db2.gz MFVWGOOGHZMTQR-UHFFFAOYSA-N -1 3 390.403 2.736 20 30 GFEDHM C=CCc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(OC)c1OC ZINC000735443013 598913140 /nfs/dbraw/zinc/91/31/40/598913140.db2.gz MFVWGOOGHZMTQR-UHFFFAOYSA-N -1 3 390.403 2.736 20 30 GFEDHM COc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1Cl ZINC000737086891 598926089 /nfs/dbraw/zinc/92/60/89/598926089.db2.gz KBJQGVKSIVOLQV-UHFFFAOYSA-N -1 3 382.811 2.972 20 30 GFEDHM COc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1Cl ZINC000737086891 598926090 /nfs/dbraw/zinc/92/60/90/598926090.db2.gz KBJQGVKSIVOLQV-UHFFFAOYSA-N -1 3 382.811 2.972 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735690079 598932201 /nfs/dbraw/zinc/93/22/01/598932201.db2.gz GGQYVQBNVZOEGA-QGZVFWFLSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735690079 598932202 /nfs/dbraw/zinc/93/22/02/598932202.db2.gz GGQYVQBNVZOEGA-QGZVFWFLSA-N -1 3 376.420 2.724 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000736507187 598969635 /nfs/dbraw/zinc/96/96/35/598969635.db2.gz BMHBEAJIJPEHDW-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000736507187 598969636 /nfs/dbraw/zinc/96/96/36/598969636.db2.gz BMHBEAJIJPEHDW-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736174296 599191248 /nfs/dbraw/zinc/19/12/48/599191248.db2.gz MVAXIVOSHLYWSZ-SECBINFHSA-N -1 3 386.774 2.937 20 30 GFEDHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736174296 599191251 /nfs/dbraw/zinc/19/12/51/599191251.db2.gz MVAXIVOSHLYWSZ-SECBINFHSA-N -1 3 386.774 2.937 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Br)cs2)cc1-c1nnn[n-]1 ZINC000737718319 599192958 /nfs/dbraw/zinc/19/29/58/599192958.db2.gz HRSMRRPZLOVIKH-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Br)cs2)cc1-c1nn[n-]n1 ZINC000737718319 599192960 /nfs/dbraw/zinc/19/29/60/599192960.db2.gz HRSMRRPZLOVIKH-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM COc1cc(Br)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737034969 599193634 /nfs/dbraw/zinc/19/36/34/599193634.db2.gz OCXHFDPDPQEYLI-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1cc(Br)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737034969 599193637 /nfs/dbraw/zinc/19/36/37/599193637.db2.gz OCXHFDPDPQEYLI-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C(C)C)n(C)c1=S ZINC000735425752 598298157 /nfs/dbraw/zinc/29/81/57/598298157.db2.gz FFXPRWBPCCCTOC-UHFFFAOYSA-N -1 3 384.513 2.900 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C(C)C)n(C)c1=S ZINC000735425752 598298159 /nfs/dbraw/zinc/29/81/59/598298159.db2.gz FFXPRWBPCCCTOC-UHFFFAOYSA-N -1 3 384.513 2.900 20 30 GFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735426211 598327817 /nfs/dbraw/zinc/32/78/17/598327817.db2.gz LXWUPHXTUQNYPW-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735426211 598327819 /nfs/dbraw/zinc/32/78/19/598327819.db2.gz LXWUPHXTUQNYPW-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM C=CCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000735407938 598359109 /nfs/dbraw/zinc/35/91/09/598359109.db2.gz BMSQSLLRULGYDA-UHFFFAOYSA-N -1 3 386.456 2.848 20 30 GFEDHM C=CCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000735407938 598359110 /nfs/dbraw/zinc/35/91/10/598359110.db2.gz BMSQSLLRULGYDA-UHFFFAOYSA-N -1 3 386.456 2.848 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(N2CCCC2)nc1 ZINC000735421399 598419225 /nfs/dbraw/zinc/41/92/25/598419225.db2.gz YJQIBXBFCARUDV-UHFFFAOYSA-N -1 3 389.463 2.690 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(N2CCCC2)nc1 ZINC000735421399 598419226 /nfs/dbraw/zinc/41/92/26/598419226.db2.gz YJQIBXBFCARUDV-UHFFFAOYSA-N -1 3 389.463 2.690 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737104543 598440119 /nfs/dbraw/zinc/44/01/19/598440119.db2.gz RZFHHLNHOACYMH-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737104543 598440121 /nfs/dbraw/zinc/44/01/21/598440121.db2.gz RZFHHLNHOACYMH-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737513795 598490225 /nfs/dbraw/zinc/49/02/25/598490225.db2.gz UESXPVHPULNQIK-HNNXBMFYSA-N -1 3 393.451 2.831 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737513795 598490226 /nfs/dbraw/zinc/49/02/26/598490226.db2.gz UESXPVHPULNQIK-HNNXBMFYSA-N -1 3 393.451 2.831 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000737673481 598536721 /nfs/dbraw/zinc/53/67/21/598536721.db2.gz AUAUZSOSJXCVFP-CQSZACIVSA-N -1 3 388.309 2.760 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000737673481 598536723 /nfs/dbraw/zinc/53/67/23/598536723.db2.gz AUAUZSOSJXCVFP-CQSZACIVSA-N -1 3 388.309 2.760 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000735426314 598550639 /nfs/dbraw/zinc/55/06/39/598550639.db2.gz PGUUCTZDRSIURW-CQSZACIVSA-N -1 3 396.520 2.860 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000735426314 598550640 /nfs/dbraw/zinc/55/06/40/598550640.db2.gz PGUUCTZDRSIURW-CQSZACIVSA-N -1 3 396.520 2.860 20 30 GFEDHM N#Cc1cccc(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737722328 598650257 /nfs/dbraw/zinc/65/02/57/598650257.db2.gz HLRPODOGHKHUOJ-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM N#Cc1cccc(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737722328 598650259 /nfs/dbraw/zinc/65/02/59/598650259.db2.gz HLRPODOGHKHUOJ-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1F ZINC000819740122 607363510 /nfs/dbraw/zinc/36/35/10/607363510.db2.gz QCHCGYTURSXPOU-UHFFFAOYSA-N -1 3 384.415 2.842 20 30 GFEDHM C=C(Br)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735398036 598725263 /nfs/dbraw/zinc/72/52/63/598725263.db2.gz DWKCCEJURSBVFZ-UHFFFAOYSA-N -1 3 381.230 2.868 20 30 GFEDHM C=C(Br)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735398036 598725264 /nfs/dbraw/zinc/72/52/64/598725264.db2.gz DWKCCEJURSBVFZ-UHFFFAOYSA-N -1 3 381.230 2.868 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735963127 598752728 /nfs/dbraw/zinc/75/27/28/598752728.db2.gz ATKPCMLAHPXXBO-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735963127 598752730 /nfs/dbraw/zinc/75/27/30/598752730.db2.gz ATKPCMLAHPXXBO-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(F)c1C ZINC000819745516 599339585 /nfs/dbraw/zinc/33/95/85/599339585.db2.gz HGMBOBYAHLBLIZ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(F)c1C ZINC000819745516 599339586 /nfs/dbraw/zinc/33/95/86/599339586.db2.gz HGMBOBYAHLBLIZ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM N#Cc1cccc(NC(=O)C2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000822837907 599509148 /nfs/dbraw/zinc/50/91/48/599509148.db2.gz XYXSDZRDBSXFQC-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM N#Cc1cccc(NC(=O)C2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000822837907 599509150 /nfs/dbraw/zinc/50/91/50/599509150.db2.gz XYXSDZRDBSXFQC-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000819740038 599605268 /nfs/dbraw/zinc/60/52/68/599605268.db2.gz MJFNPYJWPAPXRX-UHFFFAOYSA-N -1 3 382.468 2.709 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000819740038 599605270 /nfs/dbraw/zinc/60/52/70/599605270.db2.gz MJFNPYJWPAPXRX-UHFFFAOYSA-N -1 3 382.468 2.709 20 30 GFEDHM N#Cc1cccc(OC2CCN(C[C@H](O)COc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000739134195 599794901 /nfs/dbraw/zinc/79/49/01/599794901.db2.gz YDDKTPBCUOBLDF-SFHVURJKSA-N -1 3 396.443 2.540 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1-c1nnn[n-]1 ZINC000820165982 607398319 /nfs/dbraw/zinc/39/83/19/607398319.db2.gz UELYCINVVHQNHZ-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1-c1nn[n-]n1 ZINC000820165982 607398321 /nfs/dbraw/zinc/39/83/21/607398321.db2.gz UELYCINVVHQNHZ-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000820161627 607398508 /nfs/dbraw/zinc/39/85/08/607398508.db2.gz YYJDMVNZFLOAJF-CYBMUJFWSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000820161627 607398511 /nfs/dbraw/zinc/39/85/11/607398511.db2.gz YYJDMVNZFLOAJF-CYBMUJFWSA-N -1 3 392.419 2.932 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000826243412 607399525 /nfs/dbraw/zinc/39/95/25/607399525.db2.gz HQPLVOCRVNQECZ-OAHLLOKOSA-N -1 3 380.795 2.790 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000823856128 607465481 /nfs/dbraw/zinc/46/54/81/607465481.db2.gz KBKNEIVZXPAIFU-UHFFFAOYSA-N -1 3 398.766 2.693 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000823856128 607465482 /nfs/dbraw/zinc/46/54/82/607465482.db2.gz KBKNEIVZXPAIFU-UHFFFAOYSA-N -1 3 398.766 2.693 20 30 GFEDHM CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352016 602547310 /nfs/dbraw/zinc/54/73/10/602547310.db2.gz SVMIOHKIGPKLSJ-KGLIPLIRSA-N -1 3 386.477 2.937 20 30 GFEDHM CC(C)(C(=O)[O-])[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000833413684 605177597 /nfs/dbraw/zinc/17/75/97/605177597.db2.gz OEFWFSZQVBWKBO-SFHVURJKSA-N -1 3 386.473 2.774 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1nnc(C(C)C)o1 ZINC000819743332 606121319 /nfs/dbraw/zinc/12/13/19/606121319.db2.gz GXULRPCZXQGVNZ-UHFFFAOYSA-N -1 3 381.440 2.521 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1nnc(C(C)C)o1 ZINC000819743332 606121320 /nfs/dbraw/zinc/12/13/20/606121320.db2.gz GXULRPCZXQGVNZ-UHFFFAOYSA-N -1 3 381.440 2.521 20 30 GFEDHM CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821207307 606151992 /nfs/dbraw/zinc/15/19/92/606151992.db2.gz KQVZVNGYCSBDPE-UHFFFAOYSA-N -1 3 378.396 2.821 20 30 GFEDHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCN1c1cccc(F)c1C#N ZINC000736293305 606165420 /nfs/dbraw/zinc/16/54/20/606165420.db2.gz NUHPMCQZWVMAQK-GFCCVEGCSA-N -1 3 381.390 2.732 20 30 GFEDHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCN1c1cccc(F)c1C#N ZINC000736293305 606165421 /nfs/dbraw/zinc/16/54/21/606165421.db2.gz NUHPMCQZWVMAQK-GFCCVEGCSA-N -1 3 381.390 2.732 20 30 GFEDHM N#C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000822802246 606169928 /nfs/dbraw/zinc/16/99/28/606169928.db2.gz YAGNQDNDOZXZIO-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000822802246 606169929 /nfs/dbraw/zinc/16/99/29/606169929.db2.gz YAGNQDNDOZXZIO-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM CN(C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000821579887 606175553 /nfs/dbraw/zinc/17/55/53/606175553.db2.gz RCRCEULBOMDIGG-INIZCTEOSA-N -1 3 399.817 2.772 20 30 GFEDHM CN(C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000821579887 606175554 /nfs/dbraw/zinc/17/55/54/606175554.db2.gz RCRCEULBOMDIGG-INIZCTEOSA-N -1 3 399.817 2.772 20 30 GFEDHM N#Cc1ccsc1N1CC[C@H](Sc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000822842648 606313303 /nfs/dbraw/zinc/31/33/03/606313303.db2.gz RTXUOCSKACAFDO-ZDUSSCGKSA-N -1 3 386.437 2.837 20 30 GFEDHM N#Cc1ccsc1N1CC[C@H](Sc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000822842648 606313304 /nfs/dbraw/zinc/31/33/04/606313304.db2.gz RTXUOCSKACAFDO-ZDUSSCGKSA-N -1 3 386.437 2.837 20 30 GFEDHM N=C(NOC(=O)CCCSc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000822845661 606429486 /nfs/dbraw/zinc/42/94/86/606429486.db2.gz BEODGTBFUSGYEF-UHFFFAOYSA-N -1 3 388.478 2.664 20 30 GFEDHM N=C(NOC(=O)CCCSc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000822845661 606429489 /nfs/dbraw/zinc/42/94/89/606429489.db2.gz BEODGTBFUSGYEF-UHFFFAOYSA-N -1 3 388.478 2.664 20 30 GFEDHM CCNc1ccc(C#N)cc1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821308939 606599920 /nfs/dbraw/zinc/59/99/20/606599920.db2.gz IAYCTCYJTLRCTB-UHFFFAOYSA-N -1 3 396.842 2.874 20 30 GFEDHM CCNc1ccc(C#N)cc1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821308939 606599921 /nfs/dbraw/zinc/59/99/21/606599921.db2.gz IAYCTCYJTLRCTB-UHFFFAOYSA-N -1 3 396.842 2.874 20 30 GFEDHM C[C@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820219373 606660359 /nfs/dbraw/zinc/66/03/59/606660359.db2.gz FPGADIVUJJOLDY-GFCCVEGCSA-N -1 3 387.513 2.760 20 30 GFEDHM C[C@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820219373 606660360 /nfs/dbraw/zinc/66/03/60/606660360.db2.gz FPGADIVUJJOLDY-GFCCVEGCSA-N -1 3 387.513 2.760 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000821412939 606701515 /nfs/dbraw/zinc/70/15/15/606701515.db2.gz UUPMJWLDRPAHFU-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000821412939 606701516 /nfs/dbraw/zinc/70/15/16/606701516.db2.gz UUPMJWLDRPAHFU-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM NC(=NOCCCOc1cccc(-c2nnn[n-]2)c1)c1nccc2ccccc21 ZINC000822846338 606840039 /nfs/dbraw/zinc/84/00/39/606840039.db2.gz XTOOEEQHNXGDPI-UHFFFAOYSA-N -1 3 389.419 2.521 20 30 GFEDHM NC(=NOCCCOc1cccc(-c2nn[n-]n2)c1)c1nccc2ccccc21 ZINC000822846338 606840040 /nfs/dbraw/zinc/84/00/40/606840040.db2.gz XTOOEEQHNXGDPI-UHFFFAOYSA-N -1 3 389.419 2.521 20 30 GFEDHM C(=NNC1CCOCC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819718671 606860846 /nfs/dbraw/zinc/86/08/46/606860846.db2.gz MWFJAYDLKMXAGW-UHFFFAOYSA-N -1 3 378.436 2.548 20 30 GFEDHM C(=NNC1CCOCC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819718671 606860847 /nfs/dbraw/zinc/86/08/47/606860847.db2.gz MWFJAYDLKMXAGW-UHFFFAOYSA-N -1 3 378.436 2.548 20 30 GFEDHM CN(C(=O)Cc1ccc(OCC#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570855 606958835 /nfs/dbraw/zinc/95/88/35/606958835.db2.gz OCDPXYFLRYNGCJ-UHFFFAOYSA-N -1 3 382.811 2.628 20 30 GFEDHM CN(C(=O)Cc1ccc(OCC#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570855 606958837 /nfs/dbraw/zinc/95/88/37/606958837.db2.gz OCDPXYFLRYNGCJ-UHFFFAOYSA-N -1 3 382.811 2.628 20 30 GFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c(F)cccc1N1CCOCC1 ZINC000822924057 606978072 /nfs/dbraw/zinc/97/80/72/606978072.db2.gz WIOPRPYHBBRSGN-PLNGDYQASA-N -1 3 385.424 2.800 20 30 GFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1c(F)cccc1N1CCOCC1 ZINC000822924057 606978074 /nfs/dbraw/zinc/97/80/74/606978074.db2.gz WIOPRPYHBBRSGN-PLNGDYQASA-N -1 3 385.424 2.800 20 30 GFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821611919 606992248 /nfs/dbraw/zinc/99/22/48/606992248.db2.gz AQRRTVCWQTZVSB-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821611919 606992249 /nfs/dbraw/zinc/99/22/49/606992249.db2.gz AQRRTVCWQTZVSB-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1cnccn1 ZINC000819765819 607016597 /nfs/dbraw/zinc/01/65/97/607016597.db2.gz SEVCQKPIRUXLSA-GFCCVEGCSA-N -1 3 391.464 2.955 20 30 GFEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1cnccn1 ZINC000819765819 607016598 /nfs/dbraw/zinc/01/65/98/607016598.db2.gz SEVCQKPIRUXLSA-GFCCVEGCSA-N -1 3 391.464 2.955 20 30 GFEDHM COc1cccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000821871661 607145710 /nfs/dbraw/zinc/14/57/10/607145710.db2.gz CHDVRFBYPNOOFO-UHFFFAOYSA-N -1 3 392.448 2.677 20 30 GFEDHM COc1cccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000821871661 607145712 /nfs/dbraw/zinc/14/57/12/607145712.db2.gz CHDVRFBYPNOOFO-UHFFFAOYSA-N -1 3 392.448 2.677 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COc2ccc(-c3nnn[n-]3)cc2F)c1C#N ZINC000822486654 607171518 /nfs/dbraw/zinc/17/15/18/607171518.db2.gz RJKZPNKABYAXSG-UHFFFAOYSA-N -1 3 375.367 2.951 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COc2ccc(-c3nn[n-]n3)cc2F)c1C#N ZINC000822486654 607171519 /nfs/dbraw/zinc/17/15/19/607171519.db2.gz RJKZPNKABYAXSG-UHFFFAOYSA-N -1 3 375.367 2.951 20 30 GFEDHM C=CCc1ccc(OCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000819759527 607245072 /nfs/dbraw/zinc/24/50/72/607245072.db2.gz YVAIGMUGCVMUEY-UHFFFAOYSA-N -1 3 384.367 2.727 20 30 GFEDHM C=CCc1ccc(OCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000819759527 607245073 /nfs/dbraw/zinc/24/50/73/607245073.db2.gz YVAIGMUGCVMUEY-UHFFFAOYSA-N -1 3 384.367 2.727 20 30 GFEDHM CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825615888 607872552 /nfs/dbraw/zinc/87/25/52/607872552.db2.gz OSOOJRMGOZSCMI-HNNXBMFYSA-N -1 3 385.811 2.903 20 30 GFEDHM CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825615888 607872553 /nfs/dbraw/zinc/87/25/53/607872553.db2.gz OSOOJRMGOZSCMI-HNNXBMFYSA-N -1 3 385.811 2.903 20 30 GFEDHM N#Cc1ccc([C@@H](O)COc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000826384737 607874391 /nfs/dbraw/zinc/87/43/91/607874391.db2.gz HQJBHSGLUPKNNT-AWEZNQCLSA-N -1 3 386.209 2.613 20 30 GFEDHM N#Cc1ccc([C@@H](O)COc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000826384737 607874392 /nfs/dbraw/zinc/87/43/92/607874392.db2.gz HQJBHSGLUPKNNT-AWEZNQCLSA-N -1 3 386.209 2.613 20 30 GFEDHM C=CCc1ccc(OC[C@H](O)COc2cc(-c3nnn[n-]3)ccc2C)c(OC)c1 ZINC000823937484 607876711 /nfs/dbraw/zinc/87/67/11/607876711.db2.gz ZTIJWPHVMYYMBM-KRWDZBQOSA-N -1 3 396.447 2.731 20 30 GFEDHM C=CCc1ccc(OC[C@H](O)COc2cc(-c3nn[n-]n3)ccc2C)c(OC)c1 ZINC000823937484 607876712 /nfs/dbraw/zinc/87/67/12/607876712.db2.gz ZTIJWPHVMYYMBM-KRWDZBQOSA-N -1 3 396.447 2.731 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826402699 607885151 /nfs/dbraw/zinc/88/51/51/607885151.db2.gz ZZMZYDMHABAROZ-YFHOEESVSA-N -1 3 375.432 2.724 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826402699 607885152 /nfs/dbraw/zinc/88/51/52/607885152.db2.gz ZZMZYDMHABAROZ-YFHOEESVSA-N -1 3 375.432 2.724 20 30 GFEDHM C=CCc1ccc(OCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(OC)c1 ZINC000823937084 607947465 /nfs/dbraw/zinc/94/74/65/607947465.db2.gz HKDSWGOFVLWVKE-UHFFFAOYSA-N -1 3 391.431 2.572 20 30 GFEDHM C=CCc1ccc(OCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(OC)c1 ZINC000823937084 607947466 /nfs/dbraw/zinc/94/74/66/607947466.db2.gz HKDSWGOFVLWVKE-UHFFFAOYSA-N -1 3 391.431 2.572 20 30 GFEDHM C=C[C@@H](CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC000823883542 607981122 /nfs/dbraw/zinc/98/11/22/607981122.db2.gz SZBFPTSGDNMTCQ-KRWDZBQOSA-N -1 3 388.475 2.875 20 30 GFEDHM C=C[C@@H](CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000823883542 607981123 /nfs/dbraw/zinc/98/11/23/607981123.db2.gz SZBFPTSGDNMTCQ-KRWDZBQOSA-N -1 3 388.475 2.875 20 30 GFEDHM C#Cc1cccc(NC(=S)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823862006 608046953 /nfs/dbraw/zinc/04/69/53/608046953.db2.gz WXFLRFRNAIOMPY-SFHVURJKSA-N -1 3 390.472 2.618 20 30 GFEDHM C#Cc1cccc(NC(=S)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000823862006 608046954 /nfs/dbraw/zinc/04/69/54/608046954.db2.gz WXFLRFRNAIOMPY-SFHVURJKSA-N -1 3 390.472 2.618 20 30 GFEDHM C[C@@H]1CC(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)=NO1 ZINC000824892580 608207945 /nfs/dbraw/zinc/20/79/45/608207945.db2.gz KKKRICGOKKUXFW-LLVKDONJSA-N -1 3 380.433 2.870 20 30 GFEDHM C[C@@H]1CC(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)=NO1 ZINC000824892580 608207946 /nfs/dbraw/zinc/20/79/46/608207946.db2.gz KKKRICGOKKUXFW-LLVKDONJSA-N -1 3 380.433 2.870 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000824737445 608275892 /nfs/dbraw/zinc/27/58/92/608275892.db2.gz HGZLKKDIPYXKGB-CHWSQXEVSA-N -1 3 383.433 2.621 20 30 GFEDHM COc1cccc(O)c1C=NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826217264 608527179 /nfs/dbraw/zinc/52/71/79/608527179.db2.gz FGQKQFGPMSJHMG-CIAFOILYSA-N -1 3 394.435 2.785 20 30 GFEDHM COc1cccc(O)c1C=NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826217264 608527181 /nfs/dbraw/zinc/52/71/81/608527181.db2.gz FGQKQFGPMSJHMG-CIAFOILYSA-N -1 3 394.435 2.785 20 30 GFEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC(F)F ZINC000826178989 608537626 /nfs/dbraw/zinc/53/76/26/608537626.db2.gz TXYFSZTXWVRBGJ-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC(F)F ZINC000826178989 608537628 /nfs/dbraw/zinc/53/76/28/608537628.db2.gz TXYFSZTXWVRBGJ-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COCCN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157256 608576857 /nfs/dbraw/zinc/57/68/57/608576857.db2.gz NGSKHDBLMJMKNM-UHFFFAOYSA-N -1 3 382.811 2.685 20 30 GFEDHM COCCN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157256 608576860 /nfs/dbraw/zinc/57/68/60/608576860.db2.gz NGSKHDBLMJMKNM-UHFFFAOYSA-N -1 3 382.811 2.685 20 30 GFEDHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000824114507 608832498 /nfs/dbraw/zinc/83/24/98/608832498.db2.gz VGQWOGOGPHULCS-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000824114507 608832500 /nfs/dbraw/zinc/83/25/00/608832500.db2.gz VGQWOGOGPHULCS-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826162400 608876216 /nfs/dbraw/zinc/87/62/16/608876216.db2.gz ADYCBVMGOYUULV-QPJJXVBHSA-N -1 3 398.394 2.936 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826162400 608876218 /nfs/dbraw/zinc/87/62/18/608876218.db2.gz ADYCBVMGOYUULV-QPJJXVBHSA-N -1 3 398.394 2.936 20 30 GFEDHM Cc1cc(C(=O)OCC#Cc2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261271 609141340 /nfs/dbraw/zinc/14/13/40/609141340.db2.gz YMAFPROPGYISNW-UHFFFAOYSA-N -1 3 384.399 2.569 20 30 GFEDHM Cc1cc(C(=O)OCC#Cc2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261271 609141342 /nfs/dbraw/zinc/14/13/42/609141342.db2.gz YMAFPROPGYISNW-UHFFFAOYSA-N -1 3 384.399 2.569 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823909353 609186066 /nfs/dbraw/zinc/18/60/66/609186066.db2.gz AHBUFQKOFPGXIF-HNNXBMFYSA-N -1 3 389.868 2.830 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823909353 609186067 /nfs/dbraw/zinc/18/60/67/609186067.db2.gz AHBUFQKOFPGXIF-HNNXBMFYSA-N -1 3 389.868 2.830 20 30 GFEDHM O=C(OCCC#Cc1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826463255 609258252 /nfs/dbraw/zinc/25/82/52/609258252.db2.gz XUVJCCWWKYMMOE-FQEVSTJZSA-N -1 3 387.443 2.821 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1OC ZINC000826191147 609271754 /nfs/dbraw/zinc/27/17/54/609271754.db2.gz YEJBTSBSCYSQPI-YVMONPNESA-N -1 3 384.367 2.928 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1OC ZINC000826191147 609271755 /nfs/dbraw/zinc/27/17/55/609271755.db2.gz YEJBTSBSCYSQPI-YVMONPNESA-N -1 3 384.367 2.928 20 30 GFEDHM C=CCCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823898786 609331768 /nfs/dbraw/zinc/33/17/68/609331768.db2.gz BFWSQUIUTDDJHS-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM C=CCCOCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823898786 609331770 /nfs/dbraw/zinc/33/17/70/609331770.db2.gz BFWSQUIUTDDJHS-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM COc1cc(Br)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826177066 609373666 /nfs/dbraw/zinc/37/36/66/609373666.db2.gz QAFOEYIVWSVYER-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM COc1cc(Br)ccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826177066 609373669 /nfs/dbraw/zinc/37/36/69/609373669.db2.gz QAFOEYIVWSVYER-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM N#CCC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000826381125 609406208 /nfs/dbraw/zinc/40/62/08/609406208.db2.gz YLJXPCFMQGJZFS-UHFFFAOYSA-N -1 3 377.355 2.626 20 30 GFEDHM N#CCC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000826381125 609406209 /nfs/dbraw/zinc/40/62/09/609406209.db2.gz YLJXPCFMQGJZFS-UHFFFAOYSA-N -1 3 377.355 2.626 20 30 GFEDHM CCc1noc(C2CCC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)CC2)n1 ZINC000825776786 609414710 /nfs/dbraw/zinc/41/47/10/609414710.db2.gz KNGDSDUNEOQFBD-UHFFFAOYSA-N -1 3 387.835 2.986 20 30 GFEDHM CCc1noc(C2CCC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)CC2)n1 ZINC000825776786 609414713 /nfs/dbraw/zinc/41/47/13/609414713.db2.gz KNGDSDUNEOQFBD-UHFFFAOYSA-N -1 3 387.835 2.986 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1OCC#N ZINC000826178643 609473826 /nfs/dbraw/zinc/47/38/26/609473826.db2.gz GSFGRZPKJMEJQJ-UHFFFAOYSA-N -1 3 383.799 2.877 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1OCC#N ZINC000826178643 609473828 /nfs/dbraw/zinc/47/38/28/609473828.db2.gz GSFGRZPKJMEJQJ-UHFFFAOYSA-N -1 3 383.799 2.877 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000826384393 609503380 /nfs/dbraw/zinc/50/33/80/609503380.db2.gz SZWCWUFNBSYULL-UHFFFAOYSA-N -1 3 395.810 2.828 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000826384393 609503382 /nfs/dbraw/zinc/50/33/82/609503382.db2.gz SZWCWUFNBSYULL-UHFFFAOYSA-N -1 3 395.810 2.828 20 30 GFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824100266 609513724 /nfs/dbraw/zinc/51/37/24/609513724.db2.gz PAAHJYFQTCPHIL-QGZVFWFLSA-N -1 3 390.831 2.720 20 30 GFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824100266 609513726 /nfs/dbraw/zinc/51/37/26/609513726.db2.gz PAAHJYFQTCPHIL-QGZVFWFLSA-N -1 3 390.831 2.720 20 30 GFEDHM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706549 609590292 /nfs/dbraw/zinc/59/02/92/609590292.db2.gz JAIQCKWHSMBJGX-BUXKBTBVSA-N -1 3 385.424 2.733 20 30 GFEDHM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706549 609590294 /nfs/dbraw/zinc/59/02/94/609590294.db2.gz JAIQCKWHSMBJGX-BUXKBTBVSA-N -1 3 385.424 2.733 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824738969 609615778 /nfs/dbraw/zinc/61/57/78/609615778.db2.gz SVTSWRZUBDINDW-LLVKDONJSA-N -1 3 383.795 2.902 20 30 GFEDHM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(Br)cc1[O-] ZINC000824926301 660405537 /nfs/dbraw/zinc/40/55/37/660405537.db2.gz FBCKWKQFGUQAKX-LBPRGKRZSA-N -1 3 388.269 2.527 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(C)(F)F)ccc1F ZINC000825867803 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COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000508075497 564252614 /nfs/dbraw/zinc/25/26/14/564252614.db2.gz ZSBYKYWNFUZLGU-XHDPSFHLSA-N -1 3 392.930 2.677 20 30 GFEDHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1C#N ZINC000509405942 564296455 /nfs/dbraw/zinc/29/64/55/564296455.db2.gz VPHOPVVZXZYGOE-UHFFFAOYSA-N -1 3 381.860 2.727 20 30 GFEDHM Cn1ncc2c1ncc(C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c2[O-] ZINC000512028879 564389709 /nfs/dbraw/zinc/38/97/09/564389709.db2.gz RPBOEZNJDSVGBX-GFCCVEGCSA-N -1 3 376.203 2.975 20 30 GFEDHM C=CCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000452141102 564396273 /nfs/dbraw/zinc/39/62/73/564396273.db2.gz STSFOZWCBBEFDD-UHFFFAOYSA-N -1 3 378.416 2.702 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)c1 ZINC000479135839 564426975 /nfs/dbraw/zinc/42/69/75/564426975.db2.gz APVIDHZXHUQKKU-OAHLLOKOSA-N -1 3 376.400 2.612 20 30 GFEDHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)nc1C ZINC000546063059 564442862 /nfs/dbraw/zinc/44/28/62/564442862.db2.gz NTIRRJAJPSAJHA-GFCCVEGCSA-N -1 3 385.511 2.693 20 30 GFEDHM N#Cc1cccc(OCc2ccoc2C(=O)N=c2[nH][n-]cc2Br)c1 ZINC000516986277 564520210 /nfs/dbraw/zinc/52/02/10/564520210.db2.gz JJOLGALUYMXSOM-UHFFFAOYSA-N -1 3 387.193 2.890 20 30 GFEDHM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000486504187 564654997 /nfs/dbraw/zinc/65/49/97/564654997.db2.gz YHZINRZKMSZCOY-UHFFFAOYSA-N -1 3 384.866 2.557 20 30 GFEDHM CC(C)(CC#N)CNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000458047059 564684988 /nfs/dbraw/zinc/68/49/88/564684988.db2.gz WRIJEBXCSOAUSQ-UHFFFAOYSA-N -1 3 377.388 2.747 20 30 GFEDHM N#CCCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000553948201 564746108 /nfs/dbraw/zinc/74/61/08/564746108.db2.gz ZDPUZFSXHJZETF-UHFFFAOYSA-N -1 3 381.454 2.502 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000579639086 564749987 /nfs/dbraw/zinc/74/99/87/564749987.db2.gz YRLWYZSWGJLXEA-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)[C@H]1OCCc2sccc21 ZINC000490526405 564775882 /nfs/dbraw/zinc/77/58/82/564775882.db2.gz HSPHJMJYLCWWFF-APPDUMDISA-N -1 3 380.466 2.881 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)[C@H]1OCCc2sccc21 ZINC000490526408 564775934 /nfs/dbraw/zinc/77/59/34/564775934.db2.gz HSPHJMJYLCWWFF-PIGZYNQJSA-N -1 3 380.466 2.881 20 30 GFEDHM Cc1nc(C)c(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000528551076 564794059 /nfs/dbraw/zinc/79/40/59/564794059.db2.gz HJCVTTUUONYMCS-UHFFFAOYSA-N -1 3 377.491 2.616 20 30 GFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000555948914 564809784 /nfs/dbraw/zinc/80/97/84/564809784.db2.gz WNAQPFKJQAZVBN-UHFFFAOYSA-N -1 3 376.235 2.671 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000556396524 564823541 /nfs/dbraw/zinc/82/35/41/564823541.db2.gz ZTPJWDPFWOEZJW-UHFFFAOYSA-N -1 3 397.225 2.621 20 30 GFEDHM COc1ccccc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000559640512 564937890 /nfs/dbraw/zinc/93/78/90/564937890.db2.gz VHRKUSQZIPLFNZ-UHFFFAOYSA-N -1 3 381.251 2.808 20 30 GFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000501385006 564977781 /nfs/dbraw/zinc/97/77/81/564977781.db2.gz FINHBCUUSIRLMX-VXGBXAGGSA-N -1 3 395.225 2.759 20 30 GFEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000561342974 564992266 /nfs/dbraw/zinc/99/22/66/564992266.db2.gz XXAVHYWPXSYKFE-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM Cc1cc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc(C#N)n1 ZINC000561357297 564992363 /nfs/dbraw/zinc/99/23/63/564992363.db2.gz ZNUJWRLNPXNXBR-UHFFFAOYSA-N -1 3 385.276 2.959 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000561530110 564999611 /nfs/dbraw/zinc/99/96/11/564999611.db2.gz NSQPYIJGHOCGML-LBPRGKRZSA-N -1 3 387.299 2.948 20 30 GFEDHM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC2 ZINC000503794042 565027988 /nfs/dbraw/zinc/02/79/88/565027988.db2.gz ABEABLUOUSCFST-CQSZACIVSA-N -1 3 378.885 2.825 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000588111148 565126861 /nfs/dbraw/zinc/12/68/61/565126861.db2.gz AHFYCCLHSPPMHE-LBPRGKRZSA-N -1 3 377.263 2.939 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCCO1 ZINC000594488453 565396009 /nfs/dbraw/zinc/39/60/09/565396009.db2.gz RIHHEMKDWRMGBK-KGLIPLIRSA-N -1 3 387.299 2.947 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)C(=O)NC(C)(C)C ZINC000594750984 565414378 /nfs/dbraw/zinc/41/43/78/565414378.db2.gz SLPMJOYAEQANPD-LLVKDONJSA-N -1 3 379.507 2.663 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000595393185 565473120 /nfs/dbraw/zinc/47/31/20/565473120.db2.gz OOEAUEJTKOPJBM-INIZCTEOSA-N -1 3 375.881 2.764 20 30 GFEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(Br)c(Cl)c1 ZINC000671193784 565757275 /nfs/dbraw/zinc/75/72/75/565757275.db2.gz PVTRHSIUIJFNOA-UHFFFAOYSA-N -1 3 392.662 2.560 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)Cc2ncsc2Br)CCCCC1 ZINC000601466589 565786534 /nfs/dbraw/zinc/78/65/34/565786534.db2.gz JJZIOIJMEDDFIH-UHFFFAOYSA-N -1 3 378.317 2.799 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000608822472 566024318 /nfs/dbraw/zinc/02/43/18/566024318.db2.gz JICCCHVYCWNBEV-NSHDSACASA-N -1 3 392.308 2.716 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1 ZINC000611017317 566111327 /nfs/dbraw/zinc/11/13/27/566111327.db2.gz AJOOGLMKZCIZGL-UHFFFAOYSA-N -1 3 377.853 2.907 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(Br)ccc2OC)CCOCC1 ZINC000657127502 566226719 /nfs/dbraw/zinc/22/67/19/566226719.db2.gz JMNGYOJCELXBLW-UHFFFAOYSA-N -1 3 390.299 2.861 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CCOCC1 ZINC000657127280 566226733 /nfs/dbraw/zinc/22/67/33/566226733.db2.gz FRLABMLSSRDXQZ-UHFFFAOYSA-N -1 3 384.885 2.628 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736309501 598876937 /nfs/dbraw/zinc/87/69/37/598876937.db2.gz PLBSHISSBHXTBC-KRWDZBQOSA-N -1 3 391.435 2.547 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736309501 598876938 /nfs/dbraw/zinc/87/69/38/598876938.db2.gz PLBSHISSBHXTBC-KRWDZBQOSA-N -1 3 391.435 2.547 20 30 GFEDHM C=CCCCCCN(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735408244 598889550 /nfs/dbraw/zinc/88/95/50/598889550.db2.gz IWOIDBVFEIPLOI-UHFFFAOYSA-N -1 3 398.515 2.618 20 30 GFEDHM C=CCCCCCN(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735408244 598889552 /nfs/dbraw/zinc/88/95/52/598889552.db2.gz IWOIDBVFEIPLOI-UHFFFAOYSA-N -1 3 398.515 2.618 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000737304828 598928013 /nfs/dbraw/zinc/92/80/13/598928013.db2.gz ACWKADFBWTVYEP-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000737304828 598928016 /nfs/dbraw/zinc/92/80/16/598928016.db2.gz ACWKADFBWTVYEP-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735502004 598932234 /nfs/dbraw/zinc/93/22/34/598932234.db2.gz BHBLUQJSZVZPBD-CQSZACIVSA-N -1 3 376.420 2.677 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735502004 598932235 /nfs/dbraw/zinc/93/22/35/598932235.db2.gz BHBLUQJSZVZPBD-CQSZACIVSA-N -1 3 376.420 2.677 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736417765 598932991 /nfs/dbraw/zinc/93/29/91/598932991.db2.gz VRTVNAUKLQSYCE-MRXNPFEDSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736417765 598932993 /nfs/dbraw/zinc/93/29/93/598932993.db2.gz VRTVNAUKLQSYCE-MRXNPFEDSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736338478 598955397 /nfs/dbraw/zinc/95/53/97/598955397.db2.gz WIFHXBRLUPVBPF-UHFFFAOYSA-N -1 3 376.486 2.516 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736338478 598955399 /nfs/dbraw/zinc/95/53/99/598955399.db2.gz WIFHXBRLUPVBPF-UHFFFAOYSA-N -1 3 376.486 2.516 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000819773886 607254126 /nfs/dbraw/zinc/25/41/26/607254126.db2.gz WRPKMMOUMXTGSQ-UHFFFAOYSA-N -1 3 390.451 2.664 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000819773886 607254127 /nfs/dbraw/zinc/25/41/27/607254127.db2.gz WRPKMMOUMXTGSQ-UHFFFAOYSA-N -1 3 390.451 2.664 20 30 GFEDHM N#Cc1nnc2ccccc2c1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737729896 598965787 /nfs/dbraw/zinc/96/57/87/598965787.db2.gz FTQXHWBZKHBHKL-UHFFFAOYSA-N -1 3 398.430 2.729 20 30 GFEDHM CC[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736313194 599026560 /nfs/dbraw/zinc/02/65/60/599026560.db2.gz MPEWRTQUPXRAMA-HXUWFJFHSA-N -1 3 376.420 2.868 20 30 GFEDHM CC[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736313194 599026562 /nfs/dbraw/zinc/02/65/62/599026562.db2.gz MPEWRTQUPXRAMA-HXUWFJFHSA-N -1 3 376.420 2.868 20 30 GFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1N1CCOCC1 ZINC000737802784 599064364 /nfs/dbraw/zinc/06/43/64/599064364.db2.gz XQVBIFCBPRKSIS-BQYQJAHWSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1N1CCOCC1 ZINC000737802784 599064367 /nfs/dbraw/zinc/06/43/67/599064367.db2.gz XQVBIFCBPRKSIS-BQYQJAHWSA-N -1 3 379.395 2.739 20 30 GFEDHM COc1ccc(C=CC(=O)c2cccc(N3CCOC3=O)c2)cc1-c1nnn[n-]1 ZINC000737082537 599156265 /nfs/dbraw/zinc/15/62/65/599156265.db2.gz WYIFYEBRXRIFHF-FNORWQNLSA-N -1 3 391.387 2.728 20 30 GFEDHM COc1ccc(C=CC(=O)c2cccc(N3CCOC3=O)c2)cc1-c1nn[n-]n1 ZINC000737082537 599156268 /nfs/dbraw/zinc/15/62/68/599156268.db2.gz WYIFYEBRXRIFHF-FNORWQNLSA-N -1 3 391.387 2.728 20 30 GFEDHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c12 ZINC000737546175 599199788 /nfs/dbraw/zinc/19/97/88/599199788.db2.gz NORPTAPZWWPNJT-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c12 ZINC000737546175 599199790 /nfs/dbraw/zinc/19/97/90/599199790.db2.gz NORPTAPZWWPNJT-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM N#CCOc1ccc(Cl)cc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737697702 599220743 /nfs/dbraw/zinc/22/07/43/599220743.db2.gz LMEASPCBZYCFSJ-UHFFFAOYSA-N -1 3 398.839 2.564 20 30 GFEDHM N#CCOc1ccc(Cl)cc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737697702 599220744 /nfs/dbraw/zinc/22/07/44/599220744.db2.gz LMEASPCBZYCFSJ-UHFFFAOYSA-N -1 3 398.839 2.564 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737728572 599256114 /nfs/dbraw/zinc/25/61/14/599256114.db2.gz RNYKMHSKYYBPNJ-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737728572 599256116 /nfs/dbraw/zinc/25/61/16/599256116.db2.gz RNYKMHSKYYBPNJ-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819702270 599282893 /nfs/dbraw/zinc/28/28/93/599282893.db2.gz WHVQCIZLCNKUIP-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819702270 599282894 /nfs/dbraw/zinc/28/28/94/599282894.db2.gz WHVQCIZLCNKUIP-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM N#Cc1ccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000737711817 598308729 /nfs/dbraw/zinc/30/87/29/598308729.db2.gz LLZTYDJOUVMFIO-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM N#Cc1ccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000737711817 598308731 /nfs/dbraw/zinc/30/87/31/598308731.db2.gz LLZTYDJOUVMFIO-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(C#N)cc1F ZINC000735421395 598327842 /nfs/dbraw/zinc/32/78/42/598327842.db2.gz YFIZNBTUBGOBLJ-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(C#N)cc1F ZINC000735421395 598327844 /nfs/dbraw/zinc/32/78/44/598327844.db2.gz YFIZNBTUBGOBLJ-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM N#CC1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000737679291 598468217 /nfs/dbraw/zinc/46/82/17/598468217.db2.gz PDVBOOOPTQKQPB-UHFFFAOYSA-N -1 3 394.464 2.681 20 30 GFEDHM N#CC1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000737679291 598468218 /nfs/dbraw/zinc/46/82/18/598468218.db2.gz PDVBOOOPTQKQPB-UHFFFAOYSA-N -1 3 394.464 2.681 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735430171 598554141 /nfs/dbraw/zinc/55/41/41/598554141.db2.gz YZEHJWQVOPGXHP-HNNXBMFYSA-N -1 3 392.463 2.857 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735430171 598554143 /nfs/dbraw/zinc/55/41/43/598554143.db2.gz YZEHJWQVOPGXHP-HNNXBMFYSA-N -1 3 392.463 2.857 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735691907 598691276 /nfs/dbraw/zinc/69/12/76/598691276.db2.gz QSFFTBFDENWIMN-SFHVURJKSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735691907 598691278 /nfs/dbraw/zinc/69/12/78/598691278.db2.gz QSFFTBFDENWIMN-SFHVURJKSA-N -1 3 376.420 2.724 20 30 GFEDHM C=CCNC(=O)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000735432011 598703466 /nfs/dbraw/zinc/70/34/66/598703466.db2.gz LQYHJTOUKPBHCR-UHFFFAOYSA-N -1 3 380.427 2.623 20 30 GFEDHM C=CCNC(=O)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000735432011 598703468 /nfs/dbraw/zinc/70/34/68/598703468.db2.gz LQYHJTOUKPBHCR-UHFFFAOYSA-N -1 3 380.427 2.623 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735963889 598752787 /nfs/dbraw/zinc/75/27/87/598752787.db2.gz QDJUSIOEUSTESX-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735963889 598752789 /nfs/dbraw/zinc/75/27/89/598752789.db2.gz QDJUSIOEUSTESX-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@H](Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)N(C)CCC#N ZINC000736139630 598786654 /nfs/dbraw/zinc/78/66/54/598786654.db2.gz VVEAJOYFZKFHTM-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@H](Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)N(C)CCC#N ZINC000736139630 598786656 /nfs/dbraw/zinc/78/66/56/598786656.db2.gz VVEAJOYFZKFHTM-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736663150 598802208 /nfs/dbraw/zinc/80/22/08/598802208.db2.gz DGQUDCIEFAJIHT-XGICHPGQSA-N -1 3 383.433 2.524 20 30 GFEDHM NC(=NOCCCOc1ccc(-c2nn[n-]n2)cc1)c1nccc2ccccc21 ZINC000737730292 598819648 /nfs/dbraw/zinc/81/96/48/598819648.db2.gz IVYPWWVCJQJJJA-UHFFFAOYSA-N -1 3 389.419 2.521 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737805095 599458923 /nfs/dbraw/zinc/45/89/23/599458923.db2.gz GOHLIGIKSKWQPE-HYXAFXHYSA-N -1 3 395.766 2.972 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737805095 599458925 /nfs/dbraw/zinc/45/89/25/599458925.db2.gz GOHLIGIKSKWQPE-HYXAFXHYSA-N -1 3 395.766 2.972 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c(Cl)nc2ccccn21 ZINC000737809309 599538415 /nfs/dbraw/zinc/53/84/15/599538415.db2.gz VDTCNKBGLWFZTI-WAYWQWQTSA-N -1 3 390.794 2.712 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c(Cl)nc2ccccn21 ZINC000737809309 599538417 /nfs/dbraw/zinc/53/84/17/599538417.db2.gz VDTCNKBGLWFZTI-WAYWQWQTSA-N -1 3 390.794 2.712 20 30 GFEDHM C#CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccc(F)cc1 ZINC000819702236 599566029 /nfs/dbraw/zinc/56/60/29/599566029.db2.gz UXMDOXABOIHYQE-UHFFFAOYSA-N -1 3 389.394 2.691 20 30 GFEDHM C#CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1ccc(F)cc1 ZINC000819702236 599566031 /nfs/dbraw/zinc/56/60/31/599566031.db2.gz UXMDOXABOIHYQE-UHFFFAOYSA-N -1 3 389.394 2.691 20 30 GFEDHM N#Cc1ccc(CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C2CC2)cc1 ZINC000822825466 599568284 /nfs/dbraw/zinc/56/82/84/599568284.db2.gz GZFGOODHSLISQX-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM N#Cc1ccc(CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C2CC2)cc1 ZINC000822825466 599568287 /nfs/dbraw/zinc/56/82/87/599568287.db2.gz GZFGOODHSLISQX-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM CC(C)CCN(CCC#N)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820076138 599640142 /nfs/dbraw/zinc/64/01/42/599640142.db2.gz CHKSGYXUWYLYQP-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM CC(C)CCN(CCC#N)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820076138 599640143 /nfs/dbraw/zinc/64/01/43/599640143.db2.gz CHKSGYXUWYLYQP-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM COc1ccc(C#N)cc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821770786 607417553 /nfs/dbraw/zinc/41/75/53/607417553.db2.gz WOGHFYCELGXZHO-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM COc1ccc(C#N)cc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821770786 607417554 /nfs/dbraw/zinc/41/75/54/607417554.db2.gz WOGHFYCELGXZHO-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000819734559 607438782 /nfs/dbraw/zinc/43/87/82/607438782.db2.gz RCJIKMBZJANSQZ-SFHVURJKSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000819734559 607438784 /nfs/dbraw/zinc/43/87/84/607438784.db2.gz RCJIKMBZJANSQZ-SFHVURJKSA-N -1 3 390.447 2.937 20 30 GFEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822345591 607463569 /nfs/dbraw/zinc/46/35/69/607463569.db2.gz LOQYOMLUDMYMAM-UHFFFAOYSA-N -1 3 380.412 2.744 20 30 GFEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822345591 607463571 /nfs/dbraw/zinc/46/35/71/607463571.db2.gz LOQYOMLUDMYMAM-UHFFFAOYSA-N -1 3 380.412 2.744 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1CON=C(C)c1ccc(NC(C)=O)cc1 ZINC000821749772 607491110 /nfs/dbraw/zinc/49/11/10/607491110.db2.gz XLGAKDFMDQIMGE-UHFFFAOYSA-N -1 3 380.408 2.775 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1CON=C(C)c1ccc(NC(C)=O)cc1 ZINC000821749772 607491112 /nfs/dbraw/zinc/49/11/12/607491112.db2.gz XLGAKDFMDQIMGE-UHFFFAOYSA-N -1 3 380.408 2.775 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)CC2(NC(=O)[O-])CCC2)cc1Cl ZINC000829442644 604253995 /nfs/dbraw/zinc/25/39/95/604253995.db2.gz OIUQAOAVQFIBNI-LLVKDONJSA-N -1 3 379.800 2.576 20 30 GFEDHM N#CC(C(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2[nH]1 ZINC000833961217 605583935 /nfs/dbraw/zinc/58/39/35/605583935.db2.gz PKPIRFGYIHLEAB-ZIAGYGMSSA-N -1 3 378.392 2.564 20 30 GFEDHM CN(C)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(F)cccc1Cl ZINC000821579807 606175721 /nfs/dbraw/zinc/17/57/21/606175721.db2.gz OJZFWTSFEJLXNP-MRXNPFEDSA-N -1 3 399.817 2.772 20 30 GFEDHM CN(C)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(F)cccc1Cl ZINC000821579807 606175723 /nfs/dbraw/zinc/17/57/23/606175723.db2.gz OJZFWTSFEJLXNP-MRXNPFEDSA-N -1 3 399.817 2.772 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000820528207 606182817 /nfs/dbraw/zinc/18/28/17/606182817.db2.gz MQSSZQBZUCNHQQ-HOCLYGCPSA-N -1 3 377.404 2.560 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CNc1ccc(C#N)cc1 ZINC000821123695 606192805 /nfs/dbraw/zinc/19/28/05/606192805.db2.gz VXMBWLZJLAJKKB-UHFFFAOYSA-N -1 3 376.424 2.611 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822665179 606228577 /nfs/dbraw/zinc/22/85/77/606228577.db2.gz KGHWCFQAKAJSDP-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822665179 606228579 /nfs/dbraw/zinc/22/85/79/606228579.db2.gz KGHWCFQAKAJSDP-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821334039 606390546 /nfs/dbraw/zinc/39/05/46/606390546.db2.gz FZBHAEOPKSYOMQ-SOFGYWHQSA-N -1 3 384.417 2.766 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000820518893 606411948 /nfs/dbraw/zinc/41/19/48/606411948.db2.gz MXBKLRLZFKNQPB-NSHDSACASA-N -1 3 382.811 2.822 20 30 GFEDHM N#CCc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822814261 606559447 /nfs/dbraw/zinc/55/94/47/606559447.db2.gz DMGRNCOQCIGZSD-UHFFFAOYSA-N -1 3 385.330 2.891 20 30 GFEDHM N#CCc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822814261 606559448 /nfs/dbraw/zinc/55/94/48/606559448.db2.gz DMGRNCOQCIGZSD-UHFFFAOYSA-N -1 3 385.330 2.891 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1c(=O)scc1C(F)(F)F ZINC000819745805 606629301 /nfs/dbraw/zinc/62/93/01/606629301.db2.gz RVXRVVSZSUBDCK-UHFFFAOYSA-N -1 3 396.398 2.754 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1c(=O)scc1C(F)(F)F ZINC000819745805 606629302 /nfs/dbraw/zinc/62/93/02/606629302.db2.gz RVXRVVSZSUBDCK-UHFFFAOYSA-N -1 3 396.398 2.754 20 30 GFEDHM C#CCOc1ccc(F)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819709619 606703928 /nfs/dbraw/zinc/70/39/28/606703928.db2.gz MIUPPCRQGODBGK-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM C#CCOc1ccc(F)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819709619 606703932 /nfs/dbraw/zinc/70/39/32/606703932.db2.gz MIUPPCRQGODBGK-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM N#Cc1cc(F)c(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822818837 606757405 /nfs/dbraw/zinc/75/74/05/606757405.db2.gz HMEQAMGAOGLEAV-UHFFFAOYSA-N -1 3 385.330 2.642 20 30 GFEDHM C=C(C)COCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819722940 606782334 /nfs/dbraw/zinc/78/23/34/606782334.db2.gz RPVUWPNKHQAGAZ-UHFFFAOYSA-N -1 3 399.480 2.628 20 30 GFEDHM C=C(C)COCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819722940 606782336 /nfs/dbraw/zinc/78/23/36/606782336.db2.gz RPVUWPNKHQAGAZ-UHFFFAOYSA-N -1 3 399.480 2.628 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)ccc1-c1nnn[n-]1 ZINC000822823279 606811664 /nfs/dbraw/zinc/81/16/64/606811664.db2.gz OOWPZOVDGMYWHX-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)ccc1-c1nn[n-]n1 ZINC000822823279 606811666 /nfs/dbraw/zinc/81/16/66/606811666.db2.gz OOWPZOVDGMYWHX-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM C=C[C@H](C)NC(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819730410 606832675 /nfs/dbraw/zinc/83/26/75/606832675.db2.gz YXQGFGFXXMTPLU-VIFPVBQESA-N -1 3 388.482 2.707 20 30 GFEDHM C=C[C@H](C)NC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819730410 606832677 /nfs/dbraw/zinc/83/26/77/606832677.db2.gz YXQGFGFXXMTPLU-VIFPVBQESA-N -1 3 388.482 2.707 20 30 GFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000821588562 606977070 /nfs/dbraw/zinc/97/70/70/606977070.db2.gz YONUMAIMDKMNMO-FNORWQNLSA-N -1 3 377.383 2.616 20 30 GFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821588562 606977072 /nfs/dbraw/zinc/97/70/72/606977072.db2.gz YONUMAIMDKMNMO-FNORWQNLSA-N -1 3 377.383 2.616 20 30 GFEDHM N#Cc1ccc(F)cc1CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822829868 607064653 /nfs/dbraw/zinc/06/46/53/607064653.db2.gz MVXBDQQTLGXUHM-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(OC)c1 ZINC000819759186 607071592 /nfs/dbraw/zinc/07/15/92/607071592.db2.gz PPLOZURJKOFDFQ-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(OC)c1 ZINC000819759186 607071594 /nfs/dbraw/zinc/07/15/94/607071594.db2.gz PPLOZURJKOFDFQ-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM N#CC1(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCOCC1 ZINC000822802116 607113880 /nfs/dbraw/zinc/11/38/80/607113880.db2.gz VXHMDIDOFPLMMU-UHFFFAOYSA-N -1 3 389.415 2.897 20 30 GFEDHM N#CC1(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCOCC1 ZINC000822802116 607113881 /nfs/dbraw/zinc/11/38/81/607113881.db2.gz VXHMDIDOFPLMMU-UHFFFAOYSA-N -1 3 389.415 2.897 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000822240843 607125774 /nfs/dbraw/zinc/12/57/74/607125774.db2.gz BBKRSQSHHXEUAU-UHFFFAOYSA-N -1 3 393.426 2.981 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000822240843 607125776 /nfs/dbraw/zinc/12/57/76/607125776.db2.gz BBKRSQSHHXEUAU-UHFFFAOYSA-N -1 3 393.426 2.981 20 30 GFEDHM CC(C)(C#N)c1ccccc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000819891892 607132260 /nfs/dbraw/zinc/13/22/60/607132260.db2.gz KJZYAWINDPKEDU-UHFFFAOYSA-N -1 3 376.449 2.809 20 30 GFEDHM CC(C)(C#N)c1ccccc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000819891892 607132261 /nfs/dbraw/zinc/13/22/61/607132261.db2.gz KJZYAWINDPKEDU-UHFFFAOYSA-N -1 3 376.449 2.809 20 30 GFEDHM O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c([N+](=O)[O-])c1 ZINC000823640089 607146584 /nfs/dbraw/zinc/14/65/84/607146584.db2.gz RUNJQMCGHHLRAH-UHFFFAOYSA-N -1 3 393.323 2.610 20 30 GFEDHM O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c([N+](=O)[O-])c1 ZINC000823640089 607146585 /nfs/dbraw/zinc/14/65/85/607146585.db2.gz RUNJQMCGHHLRAH-UHFFFAOYSA-N -1 3 393.323 2.610 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000822009907 607191980 /nfs/dbraw/zinc/19/19/80/607191980.db2.gz HHWDBGLRRRNVGV-UHFFFAOYSA-N -1 3 397.826 2.681 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821699065 607235844 /nfs/dbraw/zinc/23/58/44/607235844.db2.gz AOMNKJVZPCTNNT-UHFFFAOYSA-N -1 3 379.376 2.510 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821699065 607235845 /nfs/dbraw/zinc/23/58/45/607235845.db2.gz AOMNKJVZPCTNNT-UHFFFAOYSA-N -1 3 379.376 2.510 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822542258 607248872 /nfs/dbraw/zinc/24/88/72/607248872.db2.gz WTYFLZLEXSUEMJ-UHFFFAOYSA-N -1 3 378.323 2.789 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822542258 607248873 /nfs/dbraw/zinc/24/88/73/607248873.db2.gz WTYFLZLEXSUEMJ-UHFFFAOYSA-N -1 3 378.323 2.789 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)[nH]c1C(=O)OC ZINC000823909430 607781908 /nfs/dbraw/zinc/78/19/08/607781908.db2.gz DESYEAZUYNUMNE-UHFFFAOYSA-N -1 3 395.423 2.510 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)[nH]c1C(=O)OC ZINC000823909430 607781909 /nfs/dbraw/zinc/78/19/09/607781909.db2.gz DESYEAZUYNUMNE-UHFFFAOYSA-N -1 3 395.423 2.510 20 30 GFEDHM C=C(C)[C@H](CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873323 607903176 /nfs/dbraw/zinc/90/31/76/607903176.db2.gz LERHGUOIGRYJLM-KRWDZBQOSA-N -1 3 395.467 2.979 20 30 GFEDHM C#CC[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838244 607956536 /nfs/dbraw/zinc/95/65/36/607956536.db2.gz MSHIBFQVONWCLJ-GOSISDBHSA-N -1 3 377.473 2.981 20 30 GFEDHM C#CC[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838244 607956537 /nfs/dbraw/zinc/95/65/37/607956537.db2.gz MSHIBFQVONWCLJ-GOSISDBHSA-N -1 3 377.473 2.981 20 30 GFEDHM COc1ccc(CON=CC(=O)Nc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826206748 607972143 /nfs/dbraw/zinc/97/21/43/607972143.db2.gz JOGYCVPZWDKDJT-UHFFFAOYSA-N -1 3 386.799 2.670 20 30 GFEDHM COc1ccc(CON=CC(=O)Nc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826206748 607972144 /nfs/dbraw/zinc/97/21/44/607972144.db2.gz JOGYCVPZWDKDJT-UHFFFAOYSA-N -1 3 386.799 2.670 20 30 GFEDHM N#Cc1cc2ccccc2nc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826384425 608052663 /nfs/dbraw/zinc/05/26/63/608052663.db2.gz VETQSHLJKKRBSW-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cc2ccccc2nc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826384425 608052664 /nfs/dbraw/zinc/05/26/64/608052664.db2.gz VETQSHLJKKRBSW-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1c(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn2ccccc12 ZINC000826383335 608071363 /nfs/dbraw/zinc/07/13/63/608071363.db2.gz VXRCLPRSKMYIMU-FQEVSTJZSA-N -1 3 385.431 2.565 20 30 GFEDHM N#Cc1c(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn2ccccc12 ZINC000826383335 608071364 /nfs/dbraw/zinc/07/13/64/608071364.db2.gz VXRCLPRSKMYIMU-FQEVSTJZSA-N -1 3 385.431 2.565 20 30 GFEDHM N#CCc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826382752 608072661 /nfs/dbraw/zinc/07/26/61/608072661.db2.gz SPHJQNVEXYXQLS-SFHVURJKSA-N -1 3 389.419 2.538 20 30 GFEDHM N#CCc1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826382752 608072662 /nfs/dbraw/zinc/07/26/62/608072662.db2.gz SPHJQNVEXYXQLS-SFHVURJKSA-N -1 3 389.419 2.538 20 30 GFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000826277839 608073296 /nfs/dbraw/zinc/07/32/96/608073296.db2.gz JBFXYODHCDOGPQ-SFHVURJKSA-N -1 3 389.419 2.652 20 30 GFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000826277839 608073297 /nfs/dbraw/zinc/07/32/97/608073297.db2.gz JBFXYODHCDOGPQ-SFHVURJKSA-N -1 3 389.419 2.652 20 30 GFEDHM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@](C)(C#N)C2)c1-c1nnn[n-]1 ZINC000826231756 608140890 /nfs/dbraw/zinc/14/08/90/608140890.db2.gz YJYGNWOTNGQSEN-GOSISDBHSA-N -1 3 383.481 2.627 20 30 GFEDHM N#Cc1ccc(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384894 608395371 /nfs/dbraw/zinc/39/53/71/608395371.db2.gz OENYSTWJOOQHLH-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM N#Cc1ccc(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384894 608395373 /nfs/dbraw/zinc/39/53/73/608395373.db2.gz OENYSTWJOOQHLH-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM COc1ccc(O)c(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826210471 608526416 /nfs/dbraw/zinc/52/64/16/608526416.db2.gz SRDQNWFSXJTLGJ-MTJSOVHGSA-N -1 3 394.435 2.785 20 30 GFEDHM COc1ccc(O)c(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826210471 608526417 /nfs/dbraw/zinc/52/64/17/608526417.db2.gz SRDQNWFSXJTLGJ-MTJSOVHGSA-N -1 3 394.435 2.785 20 30 GFEDHM N#C[C@@H]1CSCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826380537 608564813 /nfs/dbraw/zinc/56/48/13/608564813.db2.gz DKEILEJCDOAIAA-QGZVFWFLSA-N -1 3 391.460 2.691 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000826401017 608878670 /nfs/dbraw/zinc/87/86/70/608878670.db2.gz NFDQSBZZURGARS-WAPJZHGLSA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000826401017 608878673 /nfs/dbraw/zinc/87/86/73/608878673.db2.gz NFDQSBZZURGARS-WAPJZHGLSA-N -1 3 379.351 2.859 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824035328 609164088 /nfs/dbraw/zinc/16/40/88/609164088.db2.gz XGCLDHVKFNRKFI-CYBMUJFWSA-N -1 3 377.408 2.821 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824035328 609164089 /nfs/dbraw/zinc/16/40/89/609164089.db2.gz XGCLDHVKFNRKFI-CYBMUJFWSA-N -1 3 377.408 2.821 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ncc(Cl)cc1Cl ZINC000826383573 609174435 /nfs/dbraw/zinc/17/44/35/609174435.db2.gz HIXSAVUIZXOBCJ-UHFFFAOYSA-N -1 3 379.236 2.710 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ncc(Cl)cc1Cl ZINC000826383573 609174437 /nfs/dbraw/zinc/17/44/37/609174437.db2.gz HIXSAVUIZXOBCJ-UHFFFAOYSA-N -1 3 379.236 2.710 20 30 GFEDHM N#Cc1ccc(COC(=O)c2sccc2-c2nnn[n-]2)c(Br)c1 ZINC000826385040 609345230 /nfs/dbraw/zinc/34/52/30/609345230.db2.gz UUMUCAXWAHLUCW-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM N#Cc1csc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826387721 609348977 /nfs/dbraw/zinc/34/89/77/609348977.db2.gz NCXDVKMUOXYNPG-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM N#Cc1csc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826387721 609348979 /nfs/dbraw/zinc/34/89/79/609348979.db2.gz NCXDVKMUOXYNPG-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM COC(=O)COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000826138354 609442018 /nfs/dbraw/zinc/44/20/18/609442018.db2.gz QVRTXVYPMGIWKA-XNTDXEJSSA-N -1 3 390.399 2.631 20 30 GFEDHM COC(=O)COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000826138354 609442020 /nfs/dbraw/zinc/44/20/20/609442020.db2.gz QVRTXVYPMGIWKA-XNTDXEJSSA-N -1 3 390.399 2.631 20 30 GFEDHM N#C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000826380420 609454356 /nfs/dbraw/zinc/45/43/56/609454356.db2.gz ZUODFQORRNDAJB-IBGZPJMESA-N -1 3 399.414 2.768 20 30 GFEDHM N#C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000826380420 609454358 /nfs/dbraw/zinc/45/43/58/609454358.db2.gz ZUODFQORRNDAJB-IBGZPJMESA-N -1 3 399.414 2.768 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824034720 609623524 /nfs/dbraw/zinc/62/35/24/609623524.db2.gz NUTVZNUNKKMRDN-CYBMUJFWSA-N -1 3 392.419 2.954 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824034720 609623525 /nfs/dbraw/zinc/62/35/25/609623525.db2.gz NUTVZNUNKKMRDN-CYBMUJFWSA-N -1 3 392.419 2.954 20 30 GFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccc(Br)s2)s1 ZINC000820175033 660283862 /nfs/dbraw/zinc/28/38/62/660283862.db2.gz QZXBLQLWACMXRQ-SSDOTTSWSA-N -1 3 387.280 2.959 20 30 GFEDHM Cn1ccc(N2CCC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2=O)n1 ZINC000132394278 654936579 /nfs/dbraw/zinc/93/65/79/654936579.db2.gz WRQWCSUASUPMCV-HVOBPNNYSA-N -1 3 377.242 2.503 20 30 GFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000173064283 655162403 /nfs/dbraw/zinc/16/24/03/655162403.db2.gz FTYLVOVVQZTIBB-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM COc1ccc(CNC(=O)C/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000254975136 655436236 /nfs/dbraw/zinc/43/62/36/655436236.db2.gz RDKVVZWOBNMHLX-GRSHGNNSSA-N -1 3 377.238 2.899 20 30 GFEDHM Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cn1 ZINC000735612258 655649755 /nfs/dbraw/zinc/64/97/55/655649755.db2.gz IARRXNQCJHWDJD-UHFFFAOYSA-N -1 3 376.170 2.829 20 30 GFEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[Si](C)(C)C ZINC000740944455 655701116 /nfs/dbraw/zinc/70/11/16/655701116.db2.gz CUAWEHBKQCAYTR-CQSZACIVSA-N -1 3 382.558 2.560 20 30 GFEDHM C#C[C@@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000754365846 655866925 /nfs/dbraw/zinc/86/69/25/655866925.db2.gz BSGZYCKXWOTMKX-VIFPVBQESA-N -1 3 375.277 2.576 20 30 GFEDHM COc1ccc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)c(Br)c1[O-] ZINC000761016806 655996734 /nfs/dbraw/zinc/99/67/34/655996734.db2.gz ZTURLSNOSIGJNI-JTQLQIEISA-N -1 3 399.270 2.777 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCO1 ZINC000773056834 656397874 /nfs/dbraw/zinc/39/78/74/656397874.db2.gz OJEOMVMTLYZAIE-RYUDHWBXSA-N -1 3 378.675 2.562 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCC(C)(C)C#N)c1Cl ZINC000776392100 656737101 /nfs/dbraw/zinc/73/71/01/656737101.db2.gz MJLDPLYLIZFIPC-UHFFFAOYSA-N -1 3 379.265 2.998 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ncc(CC)s2)ccc1F ZINC000784187581 657293994 /nfs/dbraw/zinc/29/39/94/657293994.db2.gz UJPKQAGTGVERLJ-UHFFFAOYSA-N -1 3 384.454 2.666 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000805148536 659751137 /nfs/dbraw/zinc/75/11/37/659751137.db2.gz FAVGHFSANAMSGJ-LBPRGKRZSA-N -1 3 375.244 2.684 20 30 GFEDHM C#C[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1)C(C)(C)C ZINC000805146808 659751318 /nfs/dbraw/zinc/75/13/18/659751318.db2.gz MFVOBPVAZWWZDC-INIZCTEOSA-N -1 3 386.539 2.555 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810099861 659961770 /nfs/dbraw/zinc/96/17/70/659961770.db2.gz RDUZGHIQDMGXKM-AWEZNQCLSA-N -1 3 380.809 2.910 20 30 GFEDHM C=C[C@@H](C)O[N-]C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000846544584 661555579 /nfs/dbraw/zinc/55/55/79/661555579.db2.gz HTTAPDXIQPGJOV-LLVKDONJSA-N -1 3 376.272 2.625 20 30 GFEDHM Cc1cc(CC(C)(C)C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br ZINC000848132750 661626714 /nfs/dbraw/zinc/62/67/14/661626714.db2.gz OZZOFACOLCIJTM-CQSZACIVSA-N -1 3 383.286 2.823 20 30 GFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000859424377 662161803 /nfs/dbraw/zinc/16/18/03/662161803.db2.gz QAWWXQBNECHQRB-SNVBAGLBSA-N -1 3 380.691 2.809 20 30 GFEDHM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1nc[n-]c1Br ZINC000866658796 662488078 /nfs/dbraw/zinc/48/80/78/662488078.db2.gz AAFUTZPLYFZDSN-UHFFFAOYSA-N -1 3 383.271 2.895 20 30 GFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1ccc(Br)cc1=O ZINC000870455014 662690733 /nfs/dbraw/zinc/69/07/33/662690733.db2.gz STQCDCUMAVZTRX-OAHLLOKOSA-N -1 3 399.244 2.621 20 30 GFEDHM N#CC(C(=O)Cn1ccc(Br)cc1=O)=C([O-])C1(c2ccccc2)CC1 ZINC000870455014 662690739 /nfs/dbraw/zinc/69/07/39/662690739.db2.gz STQCDCUMAVZTRX-OAHLLOKOSA-N -1 3 399.244 2.621 20 30 GFEDHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@H]1CCCN([O-])C1=O ZINC000895164158 663501546 /nfs/dbraw/zinc/50/15/46/663501546.db2.gz DGCDAFMATZJQEJ-INIZCTEOSA-N -1 3 393.285 2.721 20 30 GFEDHM O=C(Cn1nnc2ccccc2c1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380642 663734872 /nfs/dbraw/zinc/73/48/72/663734872.db2.gz ZRRWWIQMYAZLEJ-UHFFFAOYSA-N -1 3 379.203 2.516 20 30 GFEDHM C=CCOC[C@@H](NCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC000901808287 663746581 /nfs/dbraw/zinc/74/65/81/663746581.db2.gz CTYAHGZHSYTDRZ-LLVKDONJSA-N -1 3 380.185 2.796 20 30 GFEDHM C#CCN1CCC(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)CC1 ZINC000910255668 664203246 /nfs/dbraw/zinc/20/32/46/664203246.db2.gz QVTZGTIEBJJDQE-UHFFFAOYSA-N -1 3 379.254 2.739 20 30 GFEDHM C=CCC1(O)CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000924432921 664655258 /nfs/dbraw/zinc/65/52/58/664655258.db2.gz OIHQVMHRVMJICI-UHFFFAOYSA-N -1 3 391.265 2.834 20 30 GFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000040349716 551134531 /nfs/dbraw/zinc/13/45/31/551134531.db2.gz ZTHRFBZHJKMSSY-UHFFFAOYSA-N -1 3 382.077 2.792 20 30 GFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000050392912 551160444 /nfs/dbraw/zinc/16/04/44/551160444.db2.gz IPKDWYFZMBIBMI-SSDOTTSWSA-N -1 3 382.077 2.792 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2)c1 ZINC000156335783 551520687 /nfs/dbraw/zinc/52/06/87/551520687.db2.gz YWJUSKFIZMCDPI-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F ZINC000158903279 551558253 /nfs/dbraw/zinc/55/82/53/551558253.db2.gz 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C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCN1Cc1ccccc1 ZINC000398109691 563532699 /nfs/dbraw/zinc/53/26/99/563532699.db2.gz QQBPXUQFYXHRIA-SFHVURJKSA-N -1 3 375.519 2.953 20 30 GFEDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000398049202 563532937 /nfs/dbraw/zinc/53/29/37/563532937.db2.gz VMAWWTCQLKBZRR-PBHICJAKSA-N -1 3 375.519 2.809 20 30 GFEDHM C=CC[C@H](CC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000410126682 563582162 /nfs/dbraw/zinc/58/21/62/563582162.db2.gz CMCLUJJXXFHGGU-RYUDHWBXSA-N -1 3 378.416 2.843 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000333213020 563624156 /nfs/dbraw/zinc/62/41/56/563624156.db2.gz UWTLRAZRPYAYOC-UONOGXRCSA-N -1 3 385.283 2.557 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000333742824 563640613 /nfs/dbraw/zinc/64/06/13/563640613.db2.gz WDFPMPJCNRFKQO-LBPRGKRZSA-N -1 3 399.310 2.948 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000435427240 563649812 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CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000416531977 563843691 /nfs/dbraw/zinc/84/36/91/563843691.db2.gz QISRMSHYEJWQTB-ZDUSSCGKSA-N -1 3 386.901 2.973 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)CCCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000471887957 564205767 /nfs/dbraw/zinc/20/57/67/564205767.db2.gz KPRWJFADMVBQFP-SNVBAGLBSA-N -1 3 399.270 2.783 20 30 GFEDHM COc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2F)ccc1C#N ZINC000563755132 564205799 /nfs/dbraw/zinc/20/57/99/564205799.db2.gz VMPCUFQPKKACOQ-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM C=C1CCN(C(=O)C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000563786541 564206598 /nfs/dbraw/zinc/20/65/98/564206598.db2.gz KDGPMPXYQJREJE-UHFFFAOYSA-N -1 3 396.818 2.816 20 30 GFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000450985857 564259861 /nfs/dbraw/zinc/25/98/61/564259861.db2.gz FWHSGIJNTBDBFI-QMMMGPOBSA-N -1 3 384.626 2.525 20 30 GFEDHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475798830 564320633 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CCNc1ccc(C#N)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000552104750 564677388 /nfs/dbraw/zinc/67/73/88/564677388.db2.gz RQTRHEZGLLTLJG-UHFFFAOYSA-N -1 3 398.897 2.622 20 30 GFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000553499835 564722925 /nfs/dbraw/zinc/72/29/25/564722925.db2.gz PFZQCZNNMRTHBB-HUUCEWRRSA-N -1 3 399.310 2.947 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2F)C1 ZINC000490453789 564772625 /nfs/dbraw/zinc/77/26/25/564772625.db2.gz JMVBJKVPOWHCHN-AWEZNQCLSA-N -1 3 379.844 2.908 20 30 GFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000528409400 564783388 /nfs/dbraw/zinc/78/33/88/564783388.db2.gz PNYGRXDNEDQJAC-QWRGUYRKSA-N -1 3 378.372 2.954 20 30 GFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000491543169 564792931 /nfs/dbraw/zinc/79/29/31/564792931.db2.gz FXQYACJXTPOFRX-AWEZNQCLSA-N -1 3 389.901 2.626 20 30 GFEDHM N#Cc1ccnc(C(=O)N=c2cc(-c3cc(F)cc(Br)c3)[n-][nH]2)c1 ZINC000493971875 564815057 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Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588115531 565126543 /nfs/dbraw/zinc/12/65/43/565126543.db2.gz QKNYRXOWGWDBDW-VIFPVBQESA-N -1 3 384.255 2.965 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000588144384 565128898 /nfs/dbraw/zinc/12/88/98/565128898.db2.gz HBNREPCJCQMKIT-ZDUSSCGKSA-N -1 3 385.272 2.919 20 30 GFEDHM N#CCCCS(=O)(=O)[N-]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000591820212 565241518 /nfs/dbraw/zinc/24/15/18/565241518.db2.gz JIKMZCUTDUSHGR-UHFFFAOYSA-N -1 3 389.168 2.729 20 30 GFEDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619752669 565357810 /nfs/dbraw/zinc/35/78/10/565357810.db2.gz JKDSYVHLXAMOOQ-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@@H]1OC ZINC000594767085 565418362 /nfs/dbraw/zinc/41/83/62/565418362.db2.gz BHCOHRSNZQYQCJ-FMKPAKJESA-N -1 3 380.491 2.552 20 30 GFEDHM C=CCCSCCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000597974213 565585900 /nfs/dbraw/zinc/58/59/00/565585900.db2.gz DWVBHVRDPAUPJA-UHFFFAOYSA-N -1 3 397.349 2.697 20 30 GFEDHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1C ZINC000610549795 566086459 /nfs/dbraw/zinc/08/64/59/566086459.db2.gz NMVWBJLYRVBTRF-UHFFFAOYSA-N -1 3 399.881 2.632 20 30 GFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000611113940 566115357 /nfs/dbraw/zinc/11/53/57/566115357.db2.gz SSBCCIUAOZJVHH-JTQLQIEISA-N -1 3 376.232 2.574 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000737674335 598826322 /nfs/dbraw/zinc/82/63/22/598826322.db2.gz JDSXPGQXEYUJJV-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000737674335 598826324 /nfs/dbraw/zinc/82/63/24/598826324.db2.gz JDSXPGQXEYUJJV-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OCc2ccncc2)cc1 ZINC000819718996 607252539 /nfs/dbraw/zinc/25/25/39/607252539.db2.gz WMRDRXHONVJRSK-UHFFFAOYSA-N -1 3 385.431 2.964 20 30 GFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCc2ccncc2)cc1 ZINC000819718996 607252540 /nfs/dbraw/zinc/25/25/40/607252540.db2.gz WMRDRXHONVJRSK-UHFFFAOYSA-N -1 3 385.431 2.964 20 30 GFEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000736039097 598884214 /nfs/dbraw/zinc/88/42/14/598884214.db2.gz ZODWTIGRMCEWHY-KBPBESRZSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000736039097 598884215 /nfs/dbraw/zinc/88/42/15/598884215.db2.gz ZODWTIGRMCEWHY-KBPBESRZSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000736039101 598884401 /nfs/dbraw/zinc/88/44/01/598884401.db2.gz ZODWTIGRMCEWHY-UONOGXRCSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000736039101 598884403 /nfs/dbraw/zinc/88/44/03/598884403.db2.gz ZODWTIGRMCEWHY-UONOGXRCSA-N -1 3 393.403 2.516 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccc1C ZINC000737415382 598917192 /nfs/dbraw/zinc/91/71/92/598917192.db2.gz PPPQTRQAVPVCIV-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccc1C ZINC000737415382 598917193 /nfs/dbraw/zinc/91/71/93/598917193.db2.gz PPPQTRQAVPVCIV-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1-c1nnn[n-]1 ZINC000737718469 598928454 /nfs/dbraw/zinc/92/84/54/598928454.db2.gz JNUQEXQTRNOGQU-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1-c1nn[n-]n1 ZINC000737718469 598928455 /nfs/dbraw/zinc/92/84/55/598928455.db2.gz JNUQEXQTRNOGQU-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000737296795 598931606 /nfs/dbraw/zinc/93/16/06/598931606.db2.gz PQWPZNASXKQTLO-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000737296795 598931608 /nfs/dbraw/zinc/93/16/08/598931608.db2.gz PQWPZNASXKQTLO-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM N#CC1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000737678758 598933587 /nfs/dbraw/zinc/93/35/87/598933587.db2.gz MDNJNLVPHMWMCT-UHFFFAOYSA-N -1 3 388.431 2.821 20 30 GFEDHM N#CC1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000737678758 598933589 /nfs/dbraw/zinc/93/35/89/598933589.db2.gz MDNJNLVPHMWMCT-UHFFFAOYSA-N -1 3 388.431 2.821 20 30 GFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000819939535 607254352 /nfs/dbraw/zinc/25/43/52/607254352.db2.gz FYNAABBCYMBYEX-HNNXBMFYSA-N -1 3 385.472 2.637 20 30 GFEDHM CC(C)(C)OC(=O)NC[C@@H]1CCCC1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000819939535 607254353 /nfs/dbraw/zinc/25/43/53/607254353.db2.gz FYNAABBCYMBYEX-HNNXBMFYSA-N -1 3 385.472 2.637 20 30 GFEDHM Clc1ccc(-n2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cn2)cc1 ZINC000822574360 607254587 /nfs/dbraw/zinc/25/45/87/607254587.db2.gz SNDCXUMXMXDMDD-UHFFFAOYSA-N -1 3 378.827 2.830 20 30 GFEDHM Clc1ccc(-n2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC000822574360 607254588 /nfs/dbraw/zinc/25/45/88/607254588.db2.gz SNDCXUMXMXDMDD-UHFFFAOYSA-N -1 3 378.827 2.830 20 30 GFEDHM C=CC[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409351 598969474 /nfs/dbraw/zinc/96/94/74/598969474.db2.gz CYECIBVVJDAWIH-KRWDZBQOSA-N -1 3 380.477 2.929 20 30 GFEDHM C=CC[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409351 598969475 /nfs/dbraw/zinc/96/94/75/598969475.db2.gz CYECIBVVJDAWIH-KRWDZBQOSA-N -1 3 380.477 2.929 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000735461953 598977176 /nfs/dbraw/zinc/97/71/76/598977176.db2.gz URQWADBDXNVHDB-TWGQIWQCSA-N -1 3 380.433 2.735 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000735461953 598977177 /nfs/dbraw/zinc/97/71/77/598977177.db2.gz URQWADBDXNVHDB-TWGQIWQCSA-N -1 3 380.433 2.735 20 30 GFEDHM N#Cc1ccc(OCCNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000822833804 599049121 /nfs/dbraw/zinc/04/91/21/599049121.db2.gz VUECEUXUXMXJTK-UHFFFAOYSA-N -1 3 391.822 2.853 20 30 GFEDHM N#Cc1ccc(OCCNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000822833804 599049125 /nfs/dbraw/zinc/04/91/25/599049125.db2.gz VUECEUXUXMXJTK-UHFFFAOYSA-N -1 3 391.822 2.853 20 30 GFEDHM CCN(C(C)=O)c1nc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cs1 ZINC000821160558 599115261 /nfs/dbraw/zinc/11/52/61/599115261.db2.gz MTHJIIGRUSGZNL-LCYFTJDESA-N -1 3 394.460 2.909 20 30 GFEDHM CCN(C(C)=O)c1nc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cs1 ZINC000821160558 599115264 /nfs/dbraw/zinc/11/52/64/599115264.db2.gz MTHJIIGRUSGZNL-LCYFTJDESA-N -1 3 394.460 2.909 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCOc1cccnc1 ZINC000819743687 599145587 /nfs/dbraw/zinc/14/55/87/599145587.db2.gz OJGTVMLRYJYHOB-UHFFFAOYSA-N -1 3 378.436 2.636 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCOc1cccnc1 ZINC000819743687 599145588 /nfs/dbraw/zinc/14/55/88/599145588.db2.gz OJGTVMLRYJYHOB-UHFFFAOYSA-N -1 3 378.436 2.636 20 30 GFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737016342 599154446 /nfs/dbraw/zinc/15/44/46/599154446.db2.gz WNCCLTHZAQUOJJ-SOFGYWHQSA-N -1 3 398.394 2.936 20 30 GFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737016342 599154448 /nfs/dbraw/zinc/15/44/48/599154448.db2.gz WNCCLTHZAQUOJJ-SOFGYWHQSA-N -1 3 398.394 2.936 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000736625975 599159265 /nfs/dbraw/zinc/15/92/65/599159265.db2.gz ITOWTPIUVZVGGH-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000736625975 599159266 /nfs/dbraw/zinc/15/92/66/599159266.db2.gz ITOWTPIUVZVGGH-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM Cc1ccccc1-c1cnc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)o1 ZINC000737419027 599161809 /nfs/dbraw/zinc/16/18/09/599161809.db2.gz UZHSKJLBXDQMRZ-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM Cc1ccccc1-c1cnc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)o1 ZINC000737419027 599161811 /nfs/dbraw/zinc/16/18/11/599161811.db2.gz UZHSKJLBXDQMRZ-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737715827 599193039 /nfs/dbraw/zinc/19/30/39/599193039.db2.gz FHAOPNKKOPZUIP-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000737715827 599193041 /nfs/dbraw/zinc/19/30/41/599193041.db2.gz FHAOPNKKOPZUIP-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#CCN(CC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737694188 599201012 /nfs/dbraw/zinc/20/10/12/599201012.db2.gz VUOREUYCMXAITJ-UHFFFAOYSA-N -1 3 393.794 2.802 20 30 GFEDHM N#CCN(CC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737694188 599201014 /nfs/dbraw/zinc/20/10/14/599201014.db2.gz VUOREUYCMXAITJ-UHFFFAOYSA-N -1 3 393.794 2.802 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737693030 598504739 /nfs/dbraw/zinc/50/47/39/598504739.db2.gz BVNXEPJVIFFJLE-UHFFFAOYSA-N -1 3 379.449 2.923 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737693030 598504740 /nfs/dbraw/zinc/50/47/40/598504740.db2.gz BVNXEPJVIFFJLE-UHFFFAOYSA-N -1 3 379.449 2.923 20 30 GFEDHM N#CCSc1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737696878 598547840 /nfs/dbraw/zinc/54/78/40/598547840.db2.gz AREWTELWIACOJZ-UHFFFAOYSA-N -1 3 384.396 2.639 20 30 GFEDHM N#CCSc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737696878 598547842 /nfs/dbraw/zinc/54/78/42/598547842.db2.gz AREWTELWIACOJZ-UHFFFAOYSA-N -1 3 384.396 2.639 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203029 598640938 /nfs/dbraw/zinc/64/09/38/598640938.db2.gz QZKAPDGTYGJEAI-BQYQJAHWSA-N -1 3 377.404 2.590 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203029 598640939 /nfs/dbraw/zinc/64/09/39/598640939.db2.gz QZKAPDGTYGJEAI-BQYQJAHWSA-N -1 3 377.404 2.590 20 30 GFEDHM N#Cc1ccc(SCC(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722492 598713866 /nfs/dbraw/zinc/71/38/66/598713866.db2.gz JVLWHACDKYEKEH-UHFFFAOYSA-N -1 3 395.444 2.843 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737721036 598756346 /nfs/dbraw/zinc/75/63/46/598756346.db2.gz GAVZOXAUYGJADJ-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737721036 598756347 /nfs/dbraw/zinc/75/63/47/598756347.db2.gz GAVZOXAUYGJADJ-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM COc1ccc(NC(=S)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000821835130 599332012 /nfs/dbraw/zinc/33/20/12/599332012.db2.gz DYYBVJDAOXQBGI-UHFFFAOYSA-N -1 3 393.476 2.902 20 30 GFEDHM COc1ccc(NC(=S)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000821835130 599332015 /nfs/dbraw/zinc/33/20/15/599332015.db2.gz DYYBVJDAOXQBGI-UHFFFAOYSA-N -1 3 393.476 2.902 20 30 GFEDHM Cc1nc2sccn2c1C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822467213 599387296 /nfs/dbraw/zinc/38/72/96/599387296.db2.gz KAQPSUCWNHUAIL-UHFFFAOYSA-N -1 3 383.437 2.704 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCSCC(=O)[O-] ZINC000737886189 599798887 /nfs/dbraw/zinc/79/88/87/599798887.db2.gz LMHUAKXOSPGJGO-JTQLQIEISA-N -1 3 384.841 2.512 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl ZINC000826243763 607399623 /nfs/dbraw/zinc/39/96/23/607399623.db2.gz UVGIUNJRHIIXRZ-CYBMUJFWSA-N -1 3 380.795 2.790 20 30 GFEDHM N#CCn1c(=O)c2ccccc2nc1CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833069475 601541751 /nfs/dbraw/zinc/54/17/51/601541751.db2.gz ZXYREKXLLFKYPQ-QFBILLFUSA-N -1 3 394.475 2.775 20 30 GFEDHM Clc1cccc(C#CCN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826353520 607525546 /nfs/dbraw/zinc/52/55/46/607525546.db2.gz SLCMSMBGJGTYLP-UHFFFAOYSA-N -1 3 378.867 2.694 20 30 GFEDHM Clc1cccc(C#CCN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826353520 607525548 /nfs/dbraw/zinc/52/55/48/607525548.db2.gz SLCMSMBGJGTYLP-UHFFFAOYSA-N -1 3 378.867 2.694 20 30 GFEDHM Cc1cccc(S(=O)(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826300611 607534063 /nfs/dbraw/zinc/53/40/63/607534063.db2.gz BFHBCLKUPRBEDV-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825322877 607545063 /nfs/dbraw/zinc/54/50/63/607545063.db2.gz KRPIHZLQEXOARZ-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825322877 607545066 /nfs/dbraw/zinc/54/50/66/607545066.db2.gz KRPIHZLQEXOARZ-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM N#Cc1c2c(sc1NC(=O)CCN1CCCC[C@H]1CNC(=O)[O-])CCC2 ZINC000740310470 602378571 /nfs/dbraw/zinc/37/85/71/602378571.db2.gz GTFVVXRUSRSFER-LBPRGKRZSA-N -1 3 376.482 2.559 20 30 GFEDHM C=CCOc1cccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000823931795 607617798 /nfs/dbraw/zinc/61/77/98/607617798.db2.gz FGIVXUDSFXODRL-UHFFFAOYSA-N -1 3 380.408 2.762 20 30 GFEDHM C=CCOc1cccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000823931795 607617799 /nfs/dbraw/zinc/61/77/99/607617799.db2.gz FGIVXUDSFXODRL-UHFFFAOYSA-N -1 3 380.408 2.762 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000829442953 604221853 /nfs/dbraw/zinc/22/18/53/604221853.db2.gz ULGZTCMLRHFSDL-NQBHXWOUSA-N -1 3 393.827 2.822 20 30 GFEDHM C#CCN(CC)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000819697707 606075483 /nfs/dbraw/zinc/07/54/83/606075483.db2.gz JSTRZRXXSVUNJF-UHFFFAOYSA-N -1 3 383.500 2.684 20 30 GFEDHM C#CCN(CC)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCCC1 ZINC000819697707 606075486 /nfs/dbraw/zinc/07/54/86/606075486.db2.gz JSTRZRXXSVUNJF-UHFFFAOYSA-N -1 3 383.500 2.684 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000820528210 606182784 /nfs/dbraw/zinc/18/27/84/606182784.db2.gz MQSSZQBZUCNHQQ-ZBFHGGJFSA-N -1 3 377.404 2.560 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000822801975 606300796 /nfs/dbraw/zinc/30/07/96/606300796.db2.gz SNYDPXHWVYWARO-SJLPKXTDSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000822801975 606300799 /nfs/dbraw/zinc/30/07/99/606300799.db2.gz SNYDPXHWVYWARO-SJLPKXTDSA-N -1 3 388.431 2.868 20 30 GFEDHM CCOC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)o1 ZINC000821343476 606339562 /nfs/dbraw/zinc/33/95/62/606339562.db2.gz OCDBAKBVKXYYAM-VURMDHGXSA-N -1 3 381.392 2.589 20 30 GFEDHM CCOC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)o1 ZINC000821343476 606339563 /nfs/dbraw/zinc/33/95/63/606339563.db2.gz OCDBAKBVKXYYAM-VURMDHGXSA-N -1 3 381.392 2.589 20 30 GFEDHM N#Cc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822837667 606340049 /nfs/dbraw/zinc/34/00/49/606340049.db2.gz QTADCDWQPBCPRP-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822837667 606340051 /nfs/dbraw/zinc/34/00/51/606340051.db2.gz QTADCDWQPBCPRP-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922812 606389315 /nfs/dbraw/zinc/38/93/15/606389315.db2.gz KBCJMWWOTOLDTB-DJWKRKHSSA-N -1 3 385.424 2.800 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822802266 606505436 /nfs/dbraw/zinc/50/54/36/606505436.db2.gz YGDGMPTXUDLSOY-HZPDHXFCSA-N -1 3 393.476 2.638 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822802266 606505438 /nfs/dbraw/zinc/50/54/38/606505438.db2.gz YGDGMPTXUDLSOY-HZPDHXFCSA-N -1 3 393.476 2.638 20 30 GFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000823160373 606530237 /nfs/dbraw/zinc/53/02/37/606530237.db2.gz AHLKYWLJWSXXRB-UHFFFAOYSA-N -1 3 377.351 2.729 20 30 GFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1sccc1-c1nn[n-]n1 ZINC000823160373 606530239 /nfs/dbraw/zinc/53/02/39/606530239.db2.gz AHLKYWLJWSXXRB-UHFFFAOYSA-N -1 3 377.351 2.729 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820536964 606942722 /nfs/dbraw/zinc/94/27/22/606942722.db2.gz ZFZIFBLPVSYCJI-AWEZNQCLSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820536964 606942724 /nfs/dbraw/zinc/94/27/24/606942724.db2.gz ZFZIFBLPVSYCJI-AWEZNQCLSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820536966 606942940 /nfs/dbraw/zinc/94/29/40/606942940.db2.gz ZFZIFBLPVSYCJI-CQSZACIVSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820536966 606942942 /nfs/dbraw/zinc/94/29/42/606942942.db2.gz ZFZIFBLPVSYCJI-CQSZACIVSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820005510 607117766 /nfs/dbraw/zinc/11/77/66/607117766.db2.gz SNMLLSXFEVTIMN-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820005510 607117767 /nfs/dbraw/zinc/11/77/67/607117767.db2.gz SNMLLSXFEVTIMN-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(C#N)c1ccccc1CN(c1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000819891542 607132470 /nfs/dbraw/zinc/13/24/70/607132470.db2.gz AHBBLZWJSOTZAI-UHFFFAOYSA-N -1 3 396.476 2.634 20 30 GFEDHM CC(C)(C#N)c1ccccc1CN(c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000819891542 607132472 /nfs/dbraw/zinc/13/24/72/607132472.db2.gz AHBBLZWJSOTZAI-UHFFFAOYSA-N -1 3 396.476 2.634 20 30 GFEDHM Brc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cn1 ZINC000819688368 607147453 /nfs/dbraw/zinc/14/74/53/607147453.db2.gz HQNGPWKHUXQCSC-UHFFFAOYSA-N -1 3 383.213 2.952 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nc1N ZINC000822819325 607160319 /nfs/dbraw/zinc/16/03/19/607160319.db2.gz PJOZEFBUAGNZOR-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(Cl)c([N+](=O)[O-])c2)nc1N ZINC000822819325 607160321 /nfs/dbraw/zinc/16/03/21/607160321.db2.gz PJOZEFBUAGNZOR-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(NC2CC2)n1 ZINC000819745829 607194769 /nfs/dbraw/zinc/19/47/69/607194769.db2.gz SGYUDNSVYUMRIC-UHFFFAOYSA-N -1 3 381.465 2.726 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(NC2CC2)n1 ZINC000819745829 607194770 /nfs/dbraw/zinc/19/47/70/607194770.db2.gz SGYUDNSVYUMRIC-UHFFFAOYSA-N -1 3 381.465 2.726 20 30 GFEDHM C=CCn1c(C)nn(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)c1=S ZINC000823937140 607848675 /nfs/dbraw/zinc/84/86/75/607848675.db2.gz JUVPLOYGIDLSSU-UHFFFAOYSA-N -1 3 376.877 2.836 20 30 GFEDHM C=CCn1c(C)nn(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)c1=S ZINC000823937140 607848676 /nfs/dbraw/zinc/84/86/76/607848676.db2.gz JUVPLOYGIDLSSU-UHFFFAOYSA-N -1 3 376.877 2.836 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000825318893 607921521 /nfs/dbraw/zinc/92/15/21/607921521.db2.gz UGVRKFYRCSLSMP-UHFFFAOYSA-N -1 3 390.447 2.937 20 30 GFEDHM C=C[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883212 607980679 /nfs/dbraw/zinc/98/06/79/607980679.db2.gz KVOCZSJKXJKVKR-CQSZACIVSA-N -1 3 377.404 2.708 20 30 GFEDHM C=C[C@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883212 607980680 /nfs/dbraw/zinc/98/06/80/607980680.db2.gz KVOCZSJKXJKVKR-CQSZACIVSA-N -1 3 377.404 2.708 20 30 GFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=Cc1ccccc1C#N ZINC000825787286 608176982 /nfs/dbraw/zinc/17/69/82/608176982.db2.gz ALRPFESNDQCQSB-CSKARUKUSA-N -1 3 384.403 2.760 20 30 GFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=Cc1ccccc1C#N ZINC000825787286 608176983 /nfs/dbraw/zinc/17/69/83/608176983.db2.gz ALRPFESNDQCQSB-CSKARUKUSA-N -1 3 384.403 2.760 20 30 GFEDHM CCOc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825631834 608229182 /nfs/dbraw/zinc/22/91/82/608229182.db2.gz GRTJVOLUZLXAFL-UHFFFAOYSA-N -1 3 381.396 2.687 20 30 GFEDHM CCOc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825631834 608229183 /nfs/dbraw/zinc/22/91/83/608229183.db2.gz GRTJVOLUZLXAFL-UHFFFAOYSA-N -1 3 381.396 2.687 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1OC ZINC000823931832 608439556 /nfs/dbraw/zinc/43/95/56/608439556.db2.gz GULFRUPCODOQTR-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1OC ZINC000823931832 608439557 /nfs/dbraw/zinc/43/95/57/608439557.db2.gz GULFRUPCODOQTR-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823888771 608533169 /nfs/dbraw/zinc/53/31/69/608533169.db2.gz WEFQJKYDRXRSOV-AWEZNQCLSA-N -1 3 398.492 2.579 20 30 GFEDHM COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC(F)F ZINC000826190592 608540534 /nfs/dbraw/zinc/54/05/34/608540534.db2.gz GPFKYGJZIQSWMY-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC(F)F ZINC000826190592 608540536 /nfs/dbraw/zinc/54/05/36/608540536.db2.gz GPFKYGJZIQSWMY-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COCCN(CCC#N)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826158091 608680620 /nfs/dbraw/zinc/68/06/20/608680620.db2.gz ZRLVTKULBYIVKY-UHFFFAOYSA-N -1 3 392.463 2.808 20 30 GFEDHM COCCN(CCC#N)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826158091 608680623 /nfs/dbraw/zinc/68/06/23/608680623.db2.gz ZRLVTKULBYIVKY-UHFFFAOYSA-N -1 3 392.463 2.808 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826383213 609279160 /nfs/dbraw/zinc/27/91/60/609279160.db2.gz PFFANXBPCDFDSN-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000826383213 609279161 /nfs/dbraw/zinc/27/91/61/609279161.db2.gz PFFANXBPCDFDSN-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM N#Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)ccc1F ZINC000826383594 609279474 /nfs/dbraw/zinc/27/94/74/609279474.db2.gz IBFHQGSLCXGHPD-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([N+](=O)[O-])cc1Cl ZINC000826403021 609442512 /nfs/dbraw/zinc/44/25/12/609442512.db2.gz HZBRFIWBEWUENQ-HWKANZROSA-N -1 3 395.766 2.972 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([N+](=O)[O-])cc1Cl ZINC000826403021 609442513 /nfs/dbraw/zinc/44/25/13/609442513.db2.gz HZBRFIWBEWUENQ-HWKANZROSA-N -1 3 395.766 2.972 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000826386060 609537061 /nfs/dbraw/zinc/53/70/61/609537061.db2.gz NDEFZKVOGJPPCI-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000826386060 609537062 /nfs/dbraw/zinc/53/70/62/609537062.db2.gz NDEFZKVOGJPPCI-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826256666 609552221 /nfs/dbraw/zinc/55/22/21/609552221.db2.gz VBHFHKUFXIAIMQ-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826256666 609552223 /nfs/dbraw/zinc/55/22/23/609552223.db2.gz VBHFHKUFXIAIMQ-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1nn(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Br ZINC000821662372 660331205 /nfs/dbraw/zinc/33/12/05/660331205.db2.gz YRKZKPIBISCTJL-UHFFFAOYSA-N -1 3 392.257 2.651 20 30 GFEDHM C#Cc1cccc(N(CC)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000103101389 655066603 /nfs/dbraw/zinc/06/66/03/655066603.db2.gz XRTYFCBCZYIUFY-UHFFFAOYSA-N -1 3 382.894 2.714 20 30 GFEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000281877572 655339812 /nfs/dbraw/zinc/33/98/12/655339812.db2.gz CYUDITOQZGIWNV-SSDOTTSWSA-N -1 3 376.385 2.777 20 30 GFEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1I ZINC000727779047 655549368 /nfs/dbraw/zinc/54/93/68/655549368.db2.gz WZPPDDZTGQYBSS-UHFFFAOYSA-N -1 3 378.177 2.794 20 30 GFEDHM C[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000743044938 655725705 /nfs/dbraw/zinc/72/57/05/655725705.db2.gz UWIJQPMVLOGJSC-UBVZNATRSA-N -1 3 377.242 2.501 20 30 GFEDHM Cc1cc(NC(=O)C/N=C/c2c([O-])c(C)ncc2CO)ccc1Br ZINC000748585283 655792175 /nfs/dbraw/zinc/79/21/75/655792175.db2.gz GFTZDHRUROMSPP-FBCYGCLPSA-N -1 3 392.253 2.716 20 30 GFEDHM Cc1ccc(Br)cc1NC(=O)C/N=C\c1c([O-])c(C)ncc1CO ZINC000749105463 655800488 /nfs/dbraw/zinc/80/04/88/655800488.db2.gz SZFARGNJWULIKO-GXHLCREISA-N -1 3 392.253 2.716 20 30 GFEDHM CCOc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc(Br)c1[O-] ZINC000753937406 655861131 /nfs/dbraw/zinc/86/11/31/655861131.db2.gz DIGKJYJZCFXKPU-STQMWFEESA-N -1 3 381.274 2.747 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762673187 656054551 /nfs/dbraw/zinc/05/45/51/656054551.db2.gz QWQABWLMBJMJRQ-HLLBOEOZSA-N -1 3 377.535 2.704 20 30 GFEDHM COCCc1nc(C)c(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000770605601 656324167 /nfs/dbraw/zinc/32/41/67/656324167.db2.gz OVDPRABWAFCGLK-UHFFFAOYSA-N -1 3 381.523 2.527 20 30 GFEDHM Cc1ccsc1COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000778332459 656875894 /nfs/dbraw/zinc/87/58/94/656875894.db2.gz QIULFCRNBSAKKC-LBPRGKRZSA-N -1 3 378.475 2.617 20 30 GFEDHM Clc1cncnc1N=NCc1c(Br)n[n-]c1Br ZINC000793041787 658350176 /nfs/dbraw/zinc/35/01/76/658350176.db2.gz RXLISQWMNYSMKH-UHFFFAOYSA-N -1 3 380.431 2.824 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(Br)no1 ZINC000795297194 658802737 /nfs/dbraw/zinc/80/27/37/658802737.db2.gz XGYPXTIPXZVOIE-UHFFFAOYSA-N -1 3 380.198 2.702 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000811838917 660016582 /nfs/dbraw/zinc/01/65/82/660016582.db2.gz ZLGKEOQMOIEIBL-CYBMUJFWSA-N -1 3 377.235 2.567 20 30 GFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1Oc1cccc(Br)c1 ZINC000816694378 660165544 /nfs/dbraw/zinc/16/55/44/660165544.db2.gz DLGMLYHXOUZKNL-AWEZNQCLSA-N -1 3 391.221 2.961 20 30 GFEDHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@H]1CCN([O-])C1=O ZINC000816695445 660165549 /nfs/dbraw/zinc/16/55/49/660165549.db2.gz CCKFHEBFKJDZIL-LBPRGKRZSA-N -1 3 384.219 2.687 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)ccc1F ZINC000844812648 661441710 /nfs/dbraw/zinc/44/17/10/661441710.db2.gz FNANCGCOMTUKCP-HOTGVXAUSA-N -1 3 392.855 2.725 20 30 GFEDHM Cn1c(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1-c1ccc(Br)cc1 ZINC000848137669 661627118 /nfs/dbraw/zinc/62/71/18/661627118.db2.gz FDONZVLJPCONQY-ZDUSSCGKSA-N -1 3 392.253 2.565 20 30 GFEDHM Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134478 661627163 /nfs/dbraw/zinc/62/71/63/661627163.db2.gz AGYNIFKJQHJEHX-LBPRGKRZSA-N -1 3 394.225 2.523 20 30 GFEDHM COCO[C@@H](C)c1cc(F)c(C=NN=c2cc[n-]n2C)cc1Br ZINC000863108756 662312080 /nfs/dbraw/zinc/31/20/80/662312080.db2.gz WOSFCJQEMGNIGH-JTQLQIEISA-N -1 3 385.237 2.871 20 30 GFEDHM COc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878632417 662901078 /nfs/dbraw/zinc/90/10/78/662901078.db2.gz KMRYHXNKNVLZNL-VIFPVBQESA-N -1 3 392.637 2.613 20 30 GFEDHM Cc1cc(=O)[n-]c(N2CCN(c3c(Br)ccc(C)c3C#N)CC2)n1 ZINC000884705642 663073854 /nfs/dbraw/zinc/07/38/54/663073854.db2.gz CBDGOTBHEYJUGF-UHFFFAOYSA-N -1 3 388.269 2.760 20 30 GFEDHM Cn1ccnc1[C@](O)(CC(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904187261 663827471 /nfs/dbraw/zinc/82/74/71/663827471.db2.gz HPKGZPLWPKHHPF-CQSZACIVSA-N -1 3 377.750 2.632 20 30 GFEDHM CCOc1cc(C=NN2C(=O)N[C@@](C)(CC)C2=O)cc(Br)c1[O-] ZINC000916330744 664457507 /nfs/dbraw/zinc/45/75/07/664457507.db2.gz NXEAHSAIOJOLII-HNNXBMFYSA-N -1 3 384.230 2.608 20 30 GFEDHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000922030948 664582160 /nfs/dbraw/zinc/58/21/60/664582160.db2.gz CATMFGQZSIAAGU-UHFFFAOYSA-N -1 3 384.255 2.658 20 30 GFEDHM N#Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(I)c1 ZINC000932550767 664826307 /nfs/dbraw/zinc/82/63/07/664826307.db2.gz GWENWLXMXATRIT-LBPRGKRZSA-N -1 3 387.177 2.743 20 30 GFEDHM N#Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(I)c1 ZINC000932550767 664826309 /nfs/dbraw/zinc/82/63/09/664826309.db2.gz GWENWLXMXATRIT-LBPRGKRZSA-N -1 3 387.177 2.743 20 30 GFEDHM CN(C)S(=O)(=O)CC(/N=C/c1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000285625077 563529333 /nfs/dbraw/zinc/52/93/33/563529333.db2.gz VUNGCIFNETYPBN-CCKIOLBOSA-N -1 3 393.214 2.940 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n1 ZINC000041518875 551135783 /nfs/dbraw/zinc/13/57/83/551135783.db2.gz NLUWHDKKBDZNJO-BXUZGUMPSA-N -1 3 375.475 2.652 20 30 GFEDHM N#Cc1cc(F)c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000128754222 551351799 /nfs/dbraw/zinc/35/17/99/551351799.db2.gz CIAWQLZGTYJTBO-UHFFFAOYSA-N -1 3 377.825 2.942 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000151017625 551405777 /nfs/dbraw/zinc/40/57/77/551405777.db2.gz SLGWFDQWSRTHCL-OAHLLOKOSA-N -1 3 379.482 2.874 20 30 GFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000154671554 551480708 /nfs/dbraw/zinc/48/07/08/551480708.db2.gz DOBZRWVNCZWUKY-UHFFFAOYSA-N -1 3 376.272 2.548 20 30 GFEDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cs1 ZINC000157065166 551532791 /nfs/dbraw/zinc/53/27/91/551532791.db2.gz LLJLQCHGOMTEMO-UHFFFAOYSA-N -1 3 380.451 2.567 20 30 GFEDHM Cc1nc(Br)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000180702023 552233398 /nfs/dbraw/zinc/23/33/98/552233398.db2.gz LLVAHTNYJTWPQW-UHFFFAOYSA-N -1 3 389.253 2.901 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNC(=O)CC2CCCCC2)c(Cl)c1 ZINC000183624116 552315009 /nfs/dbraw/zinc/31/50/09/552315009.db2.gz YVRXKADGYSZMKW-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM C=C(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000184850178 552345849 /nfs/dbraw/zinc/34/58/49/552345849.db2.gz PULHHIANKZVZRE-MRXNPFEDSA-N -1 3 386.445 2.738 20 30 GFEDHM COC(=O)[C@](C)([N-]S(=O)(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000186422554 552387640 /nfs/dbraw/zinc/38/76/40/552387640.db2.gz HUPBRHWWUGHBTR-CQSZACIVSA-N -1 3 379.265 2.605 20 30 GFEDHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000195444399 553048868 /nfs/dbraw/zinc/04/88/68/553048868.db2.gz DEQNLDMNFSGBNK-UHFFFAOYSA-N -1 3 378.841 2.546 20 30 GFEDHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373020984 563325866 /nfs/dbraw/zinc/32/58/66/563325866.db2.gz DKPGLWSPTHZWCS-ZDUSSCGKSA-N -1 3 376.507 2.519 20 30 GFEDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccc(Cl)c1 ZINC000376273841 563435925 /nfs/dbraw/zinc/43/59/25/563435925.db2.gz MILCHHUKJNUZNA-GUYCJALGSA-N -1 3 379.869 2.776 20 30 GFEDHM O=C(NC[C@H](O)C1CC1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000328657088 563462658 /nfs/dbraw/zinc/46/26/58/563462658.db2.gz OJXOWTSPFOEJPX-AWEZNQCLSA-N -1 3 386.539 2.825 20 30 GFEDHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330214407 563499203 /nfs/dbraw/zinc/49/92/03/563499203.db2.gz GEGIKYBMHQGPAM-ZDUSSCGKSA-N -1 3 399.285 2.887 20 30 GFEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)s1 ZINC000431621560 563564812 /nfs/dbraw/zinc/56/48/12/563564812.db2.gz CMUVKTCDKKLDIJ-AWEZNQCLSA-N -1 3 378.479 2.815 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000365430631 563783192 /nfs/dbraw/zinc/78/31/92/563783192.db2.gz XGBLEXDBWRYZBT-DYVFJYSZSA-N -1 3 377.853 2.663 20 30 GFEDHM COCCOc1ccccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443028579 563788669 /nfs/dbraw/zinc/78/86/69/563788669.db2.gz VMSOOYAFIZYTRX-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000416558078 563848262 /nfs/dbraw/zinc/84/82/62/563848262.db2.gz IDTPYCARQVKBFM-ZIAGYGMSSA-N -1 3 385.283 2.557 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000563784382 564206790 /nfs/dbraw/zinc/20/67/90/564206790.db2.gz QFWPBPMVHRFUQE-OLZOCXBDSA-N -1 3 383.267 2.619 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)ccc1C(F)(F)F ZINC000508127424 564255656 /nfs/dbraw/zinc/25/56/56/564255656.db2.gz ISXDFEQYJIKSAM-NSHDSACASA-N -1 3 388.289 2.577 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000567179664 564361245 /nfs/dbraw/zinc/36/12/45/564361245.db2.gz OKBVCPRGGJCFCL-LBPRGKRZSA-N -1 3 379.251 2.813 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000514911806 564461727 /nfs/dbraw/zinc/46/17/27/564461727.db2.gz FLCSSUIWPRGXRX-GDBMZVCRSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(Cl)c1 ZINC000486497664 564654282 /nfs/dbraw/zinc/65/42/82/564654282.db2.gz LFGASDWXKKJIEC-UHFFFAOYSA-N -1 3 375.837 2.905 20 30 GFEDHM Cc1nccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1Br ZINC000525870603 564712319 /nfs/dbraw/zinc/71/23/19/564712319.db2.gz VVRUIFLNODHLJU-UHFFFAOYSA-N -1 3 386.658 2.900 20 30 GFEDHM COC1CCC(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000553766252 564734964 /nfs/dbraw/zinc/73/49/64/564734964.db2.gz KBPSHRFIPBIKIX-UHFFFAOYSA-N -1 3 387.299 2.804 20 30 GFEDHM C=CC[C@@H](CC)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000554135385 564751068 /nfs/dbraw/zinc/75/10/68/564751068.db2.gz FSXZIZDIDFSIKD-LLVKDONJSA-N -1 3 394.324 2.926 20 30 GFEDHM C=CCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000489746476 564751670 /nfs/dbraw/zinc/75/16/70/564751670.db2.gz ZSZRFPWYLUSNBX-UHFFFAOYSA-N -1 3 395.344 2.507 20 30 GFEDHM CN(CC(C)(C)C#N)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000497165044 564863958 /nfs/dbraw/zinc/86/39/58/564863958.db2.gz SIVYJAVVNISJRV-UHFFFAOYSA-N -1 3 377.388 2.699 20 30 GFEDHM CN(CC(C)(C)C#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000497362364 564865561 /nfs/dbraw/zinc/86/55/61/564865561.db2.gz HFRDHZYXBKFWBX-UHFFFAOYSA-N -1 3 397.547 2.910 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000467655915 564969625 /nfs/dbraw/zinc/96/96/25/564969625.db2.gz KCFFSJGRDFDWBV-SNVBAGLBSA-N -1 3 382.507 2.733 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000561494957 564997362 /nfs/dbraw/zinc/99/73/62/564997362.db2.gz HJBDQSAVSXUVQV-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000469327796 565014206 /nfs/dbraw/zinc/01/42/06/565014206.db2.gz MJRVYHOYOVUKSP-GFCCVEGCSA-N -1 3 379.931 2.951 20 30 GFEDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000537180913 565054543 /nfs/dbraw/zinc/05/45/43/565054543.db2.gz BKMBQCJLACQVLQ-OWYVNGRQSA-N -1 3 376.400 2.915 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)Nc1ccccc1 ZINC000613920023 565087044 /nfs/dbraw/zinc/08/70/44/565087044.db2.gz SASISHFIJZWCFH-UHFFFAOYSA-N -1 3 377.853 2.907 20 30 GFEDHM C[C@@]1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO[C@H]1C1CC1 ZINC000588127864 565127983 /nfs/dbraw/zinc/12/79/83/565127983.db2.gz RWENJWDSLRXYLP-LSDHHAIUSA-N -1 3 385.283 2.557 20 30 GFEDHM COc1cc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c(OC)cc1Br ZINC000614834012 565134696 /nfs/dbraw/zinc/13/46/96/565134696.db2.gz GWHUNNZOFKIFFV-SNVBAGLBSA-N -1 3 391.287 2.683 20 30 GFEDHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccsc2C#N)cc1OCC ZINC000593524712 565338213 /nfs/dbraw/zinc/33/82/13/565338213.db2.gz RCNJFVXWGNAVJX-UHFFFAOYSA-N -1 3 380.491 2.938 20 30 GFEDHM COc1cc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc(OC)c1OC ZINC000593531310 565338286 /nfs/dbraw/zinc/33/82/86/565338286.db2.gz RMWNJUHXDMIWQJ-JTQLQIEISA-N -1 3 382.463 2.685 20 30 GFEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593544277 565339368 /nfs/dbraw/zinc/33/93/68/565339368.db2.gz PMMNGVNCBVWOSN-UHFFFAOYSA-N -1 3 380.491 2.893 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000593570081 565342909 /nfs/dbraw/zinc/34/29/09/565342909.db2.gz TYNOYDVTGNKAHR-JTQLQIEISA-N -1 3 385.873 2.969 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594483347 565394927 /nfs/dbraw/zinc/39/49/27/565394927.db2.gz AOGLXMMMIRSZBM-ZBFHGGJFSA-N -1 3 399.310 2.947 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCCO1 ZINC000594488454 565395879 /nfs/dbraw/zinc/39/58/79/565395879.db2.gz RIHHEMKDWRMGBK-UONOGXRCSA-N -1 3 387.299 2.947 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000594765047 565416350 /nfs/dbraw/zinc/41/63/50/565416350.db2.gz HIMVPKQKXNWZTJ-JTQLQIEISA-N -1 3 378.397 2.673 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC000594765541 565417032 /nfs/dbraw/zinc/41/70/32/565417032.db2.gz IUDKFSYSVOLHIL-CYBMUJFWSA-N -1 3 378.397 2.673 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599386504 565674515 /nfs/dbraw/zinc/67/45/15/565674515.db2.gz WFVFDPUKIHQGBJ-QMTHXVAHSA-N -1 3 388.392 2.833 20 30 GFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)s1 ZINC000610338655 566078711 /nfs/dbraw/zinc/07/87/11/566078711.db2.gz LYCQKMSENWUCPX-RYUDHWBXSA-N -1 3 377.491 2.856 20 30 GFEDHM C=CCSCCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000735436882 598852216 /nfs/dbraw/zinc/85/22/16/598852216.db2.gz SHOJFSHFKMBQTB-UHFFFAOYSA-N -1 3 378.408 2.769 20 30 GFEDHM C=CCSCCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000735436882 598852219 /nfs/dbraw/zinc/85/22/19/598852219.db2.gz SHOJFSHFKMBQTB-UHFFFAOYSA-N -1 3 378.408 2.769 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736039659 598888126 /nfs/dbraw/zinc/88/81/26/598888126.db2.gz JMMBOMMCPRETAT-HBWSCVEGSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736039659 598888128 /nfs/dbraw/zinc/88/81/28/598888128.db2.gz JMMBOMMCPRETAT-HBWSCVEGSA-N -1 3 375.388 2.762 20 30 GFEDHM C#CCSCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735388359 598889873 /nfs/dbraw/zinc/88/98/73/598889873.db2.gz ZVXRNNJOBAGTSK-UHFFFAOYSA-N -1 3 398.517 2.761 20 30 GFEDHM Fc1cc(Br)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822748265 607252740 /nfs/dbraw/zinc/25/27/40/607252740.db2.gz QCXHVYYIVKTEFT-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Fc1cc(Br)ccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822748265 607252741 /nfs/dbraw/zinc/25/27/41/607252741.db2.gz QCXHVYYIVKTEFT-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Br)ccc2F)cc1-c1nnn[n-]1 ZINC000737719804 598920917 /nfs/dbraw/zinc/92/09/17/598920917.db2.gz WANIJKPMIMRZRZ-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Br)ccc2F)cc1-c1nn[n-]n1 ZINC000737719804 598920919 /nfs/dbraw/zinc/92/09/19/598920919.db2.gz WANIJKPMIMRZRZ-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000737715542 598922186 /nfs/dbraw/zinc/92/21/86/598922186.db2.gz ANJQHGWROIWDKX-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000737715542 598922187 /nfs/dbraw/zinc/92/21/87/598922187.db2.gz ANJQHGWROIWDKX-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737115907 598922441 /nfs/dbraw/zinc/92/24/41/598922441.db2.gz QIJPREOUIKDSLV-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737115907 598922444 /nfs/dbraw/zinc/92/24/44/598922444.db2.gz QIJPREOUIKDSLV-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM CCOc1cccc2c1OCC(C(=O)Nc1ccc(C#N)c(-c3nnn[n-]3)c1)=C2 ZINC000736654935 598922461 /nfs/dbraw/zinc/92/24/61/598922461.db2.gz NNXJLSHYGGZZKL-UHFFFAOYSA-N -1 3 388.387 2.552 20 30 GFEDHM CCOc1cccc2c1OCC(C(=O)Nc1ccc(C#N)c(-c3nn[n-]n3)c1)=C2 ZINC000736654935 598922463 /nfs/dbraw/zinc/92/24/63/598922463.db2.gz NNXJLSHYGGZZKL-UHFFFAOYSA-N -1 3 388.387 2.552 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1-c1nnn[n-]1 ZINC000737709974 598925490 /nfs/dbraw/zinc/92/54/90/598925490.db2.gz SRCXSWSEWFDNBL-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1-c1nn[n-]n1 ZINC000737709974 598925491 /nfs/dbraw/zinc/92/54/91/598925491.db2.gz SRCXSWSEWFDNBL-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1-c1nnn[n-]1 ZINC000737716547 598925698 /nfs/dbraw/zinc/92/56/98/598925698.db2.gz RRSGGQAIEMLUQB-UHFFFAOYSA-N -1 3 377.795 2.985 20 30 GFEDHM N#Cc1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1-c1nn[n-]n1 ZINC000737716547 598925700 /nfs/dbraw/zinc/92/57/00/598925700.db2.gz RRSGGQAIEMLUQB-UHFFFAOYSA-N -1 3 377.795 2.985 20 30 GFEDHM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000821786513 607253329 /nfs/dbraw/zinc/25/33/29/607253329.db2.gz FDAJRZOBPZGYFK-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000821786513 607253330 /nfs/dbraw/zinc/25/33/30/607253330.db2.gz FDAJRZOBPZGYFK-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM COc1cc(C#N)ccc1OCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737033906 598980028 /nfs/dbraw/zinc/98/00/28/598980028.db2.gz BJPVHHDRRQXURX-UHFFFAOYSA-N -1 3 387.403 2.689 20 30 GFEDHM COc1cc(C#N)ccc1OCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737033906 598980030 /nfs/dbraw/zinc/98/00/30/598980030.db2.gz BJPVHHDRRQXURX-UHFFFAOYSA-N -1 3 387.403 2.689 20 30 GFEDHM Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737231674 599002933 /nfs/dbraw/zinc/00/29/33/599002933.db2.gz RWDFTTHSTRUFOG-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM Cc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737231674 599002934 /nfs/dbraw/zinc/00/29/34/599002934.db2.gz RWDFTTHSTRUFOG-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735380283 599092395 /nfs/dbraw/zinc/09/23/95/599092395.db2.gz IEZWZRRVERPGOR-UHFFFAOYSA-N -1 3 397.435 2.890 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735380283 599092397 /nfs/dbraw/zinc/09/23/97/599092397.db2.gz IEZWZRRVERPGOR-UHFFFAOYSA-N -1 3 397.435 2.890 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1-c1nnn[n-]1 ZINC000737720034 599196325 /nfs/dbraw/zinc/19/63/25/599196325.db2.gz YBLXEGBXIUZIOU-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1-c1nn[n-]n1 ZINC000737720034 599196327 /nfs/dbraw/zinc/19/63/27/599196327.db2.gz YBLXEGBXIUZIOU-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCOCC3)cc2)ccc1-c1nnn[n-]1 ZINC000737709531 599197699 /nfs/dbraw/zinc/19/76/99/599197699.db2.gz PBKGJUBJSFHBSP-UHFFFAOYSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCOCC3)cc2)ccc1-c1nn[n-]n1 ZINC000737709531 599197701 /nfs/dbraw/zinc/19/77/01/599197701.db2.gz PBKGJUBJSFHBSP-UHFFFAOYSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1-c1nnn[n-]1 ZINC000737715998 599194370 /nfs/dbraw/zinc/19/43/70/599194370.db2.gz JOUMYTZUZLCFMY-UHFFFAOYSA-N -1 3 389.350 2.714 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1 ZINC000737715998 599194373 /nfs/dbraw/zinc/19/43/73/599194373.db2.gz JOUMYTZUZLCFMY-UHFFFAOYSA-N -1 3 389.350 2.714 20 30 GFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000735451276 599220095 /nfs/dbraw/zinc/22/00/95/599220095.db2.gz WQZLXICJNCGORL-UHFFFAOYSA-N -1 3 392.391 2.699 20 30 GFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000735451276 599220098 /nfs/dbraw/zinc/22/00/98/599220098.db2.gz WQZLXICJNCGORL-UHFFFAOYSA-N -1 3 392.391 2.699 20 30 GFEDHM N#C[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000822800964 607302550 /nfs/dbraw/zinc/30/25/50/607302550.db2.gz BYBBTGZBTGTJEJ-KRWDZBQOSA-N -1 3 395.467 2.564 20 30 GFEDHM N#C[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000822800964 607302551 /nfs/dbraw/zinc/30/25/51/607302551.db2.gz BYBBTGZBTGTJEJ-KRWDZBQOSA-N -1 3 395.467 2.564 20 30 GFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000735450808 599285236 /nfs/dbraw/zinc/28/52/36/599285236.db2.gz DPOVHETUWVDQME-LJQANCHMSA-N -1 3 377.452 2.556 20 30 GFEDHM N#CCn1c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc2ccccc21 ZINC000737705295 598288890 /nfs/dbraw/zinc/28/88/90/598288890.db2.gz NQTBVNIDJFLGQM-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM N#CCn1c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc2ccccc21 ZINC000737705295 598288892 /nfs/dbraw/zinc/28/88/92/598288892.db2.gz NQTBVNIDJFLGQM-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM N#CCn1c(C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc2ccccc21 ZINC000737704480 598288998 /nfs/dbraw/zinc/28/89/98/598288998.db2.gz GMHACFMYDYVHTC-UHFFFAOYSA-N -1 3 388.387 2.581 20 30 GFEDHM N#CCn1c(C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc2ccccc21 ZINC000737704480 598288999 /nfs/dbraw/zinc/28/89/99/598288999.db2.gz GMHACFMYDYVHTC-UHFFFAOYSA-N -1 3 388.387 2.581 20 30 GFEDHM O=C1Nc2ccc(F)cc2C1=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738388226 598316730 /nfs/dbraw/zinc/31/67/30/598316730.db2.gz DEAIUQOLOZJGFI-UHFFFAOYSA-N -1 3 391.288 2.793 20 30 GFEDHM O=C1Nc2ccc(F)cc2C1=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738388226 598316732 /nfs/dbraw/zinc/31/67/32/598316732.db2.gz DEAIUQOLOZJGFI-UHFFFAOYSA-N -1 3 391.288 2.793 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736417800 598331675 /nfs/dbraw/zinc/33/16/75/598331675.db2.gz WGQCXNCJLRXPOJ-MRXNPFEDSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736417800 598331677 /nfs/dbraw/zinc/33/16/77/598331677.db2.gz WGQCXNCJLRXPOJ-MRXNPFEDSA-N -1 3 376.420 2.868 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381356 598434235 /nfs/dbraw/zinc/43/42/35/598434235.db2.gz UFTOBCGNQWAXDU-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM Cc1ccc(N=NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nn1 ZINC000737362473 598546921 /nfs/dbraw/zinc/54/69/21/598546921.db2.gz PXNCCXFXVIWZCK-UHFFFAOYSA-N -1 3 386.419 2.990 20 30 GFEDHM Cc1ccc(N=NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nn1 ZINC000737362473 598546923 /nfs/dbraw/zinc/54/69/23/598546923.db2.gz PXNCCXFXVIWZCK-UHFFFAOYSA-N -1 3 386.419 2.990 20 30 GFEDHM N#CCSCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737697830 598592233 /nfs/dbraw/zinc/59/22/33/598592233.db2.gz NOZDYCYRWOUNNH-UHFFFAOYSA-N -1 3 398.423 2.780 20 30 GFEDHM N#CCSCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737697830 598592235 /nfs/dbraw/zinc/59/22/35/598592235.db2.gz NOZDYCYRWOUNNH-UHFFFAOYSA-N -1 3 398.423 2.780 20 30 GFEDHM N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000517680303 598649262 /nfs/dbraw/zinc/64/92/62/598649262.db2.gz QNWQAAXZPLDNIO-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000517680303 598649264 /nfs/dbraw/zinc/64/92/64/598649264.db2.gz QNWQAAXZPLDNIO-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735425806 598690575 /nfs/dbraw/zinc/69/05/75/598690575.db2.gz HPBNRHVSEBDGQN-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)c1 ZINC000737730044 598798144 /nfs/dbraw/zinc/79/81/44/598798144.db2.gz DZAJGFHGZVKJIR-UHFFFAOYSA-N -1 3 387.447 2.670 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)c1 ZINC000737730044 598798145 /nfs/dbraw/zinc/79/81/45/598798145.db2.gz DZAJGFHGZVKJIR-UHFFFAOYSA-N -1 3 387.447 2.670 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736663413 598802100 /nfs/dbraw/zinc/80/21/00/598802100.db2.gz DWOZAGSAPFNWKS-IZZDOVSWSA-N -1 3 383.433 2.524 20 30 GFEDHM Cc1sc2ncnc(N=NCc3cnc4ccc(-c5nnn[n-]5)cn34)c2c1C ZINC000737564778 599456579 /nfs/dbraw/zinc/45/65/79/599456579.db2.gz STNZYYHSBVQGKN-UHFFFAOYSA-N -1 3 390.436 2.582 20 30 GFEDHM Cc1sc2ncnc(N=NCc3cnc4ccc(-c5nn[n-]n5)cn34)c2c1C ZINC000737564778 599456581 /nfs/dbraw/zinc/45/65/81/599456581.db2.gz STNZYYHSBVQGKN-UHFFFAOYSA-N -1 3 390.436 2.582 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737805094 599459035 /nfs/dbraw/zinc/45/90/35/599459035.db2.gz GOHLIGIKSKWQPE-HWKANZROSA-N -1 3 395.766 2.972 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737805094 599459038 /nfs/dbraw/zinc/45/90/38/599459038.db2.gz GOHLIGIKSKWQPE-HWKANZROSA-N -1 3 395.766 2.972 20 30 GFEDHM C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334519 599516511 /nfs/dbraw/zinc/51/65/11/599516511.db2.gz MTQAPHOGQDIXOM-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334519 599516514 /nfs/dbraw/zinc/51/65/14/599516514.db2.gz MTQAPHOGQDIXOM-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM N#Cc1ccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000822822668 599652463 /nfs/dbraw/zinc/65/24/63/599652463.db2.gz ASDMMBADRVCPSE-KTKRTIGZSA-N -1 3 399.370 2.545 20 30 GFEDHM N#Cc1ccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000822822668 599652464 /nfs/dbraw/zinc/65/24/64/599652464.db2.gz ASDMMBADRVCPSE-KTKRTIGZSA-N -1 3 399.370 2.545 20 30 GFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819734997 607390279 /nfs/dbraw/zinc/39/02/79/607390279.db2.gz YLGOFITWEUJCHM-MRXNPFEDSA-N -1 3 387.440 2.992 20 30 GFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819734997 607390280 /nfs/dbraw/zinc/39/02/80/607390280.db2.gz YLGOFITWEUJCHM-MRXNPFEDSA-N -1 3 387.440 2.992 20 30 GFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824034582 607442809 /nfs/dbraw/zinc/44/28/09/607442809.db2.gz LTUAEWYXQRDHRU-LJQANCHMSA-N -1 3 382.374 2.790 20 30 GFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824034582 607442810 /nfs/dbraw/zinc/44/28/10/607442810.db2.gz LTUAEWYXQRDHRU-LJQANCHMSA-N -1 3 382.374 2.790 20 30 GFEDHM CC(C)n1ccnc1CN1CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736532499 600569570 /nfs/dbraw/zinc/56/95/70/600569570.db2.gz QZJIAOYQQKGJHC-FQEVSTJZSA-N -1 3 381.480 2.669 20 30 GFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736663539 600594125 /nfs/dbraw/zinc/59/41/25/600594125.db2.gz ZUAYRFNYQBVNGL-LHSJRXKWSA-N -1 3 393.443 2.692 20 30 GFEDHM CC(C)c1ccc([C@H](CNCc2cnc3c(C#N)cnn3c2)NC(=O)[O-])cc1 ZINC000738884507 602335145 /nfs/dbraw/zinc/33/51/45/602335145.db2.gz XIKLOPUDKHMVTE-SFHVURJKSA-N -1 3 378.436 2.823 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739861228 603160837 /nfs/dbraw/zinc/16/08/37/603160837.db2.gz UJCZGYWGTBLHLH-SNVBAGLBSA-N -1 3 381.816 2.741 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C#N ZINC000826200572 607617416 /nfs/dbraw/zinc/61/74/16/607617416.db2.gz WVXADVFNHTVUFB-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C#N ZINC000826200572 607617418 /nfs/dbraw/zinc/61/74/18/607617418.db2.gz WVXADVFNHTVUFB-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C#N ZINC000825545759 607761740 /nfs/dbraw/zinc/76/17/40/607761740.db2.gz WEUJHQUVFRLLQM-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C#N ZINC000825545759 607761741 /nfs/dbraw/zinc/76/17/41/607761741.db2.gz WEUJHQUVFRLLQM-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM C[C@H](Oc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1)C(=O)[O-] ZINC000833542115 605731075 /nfs/dbraw/zinc/73/10/75/605731075.db2.gz TXMHSYKTMJWTER-MGPUTAFESA-N -1 3 393.443 2.695 20 30 GFEDHM N#Cc1ccccc1N1CCC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000822842409 606112715 /nfs/dbraw/zinc/11/27/15/606112715.db2.gz HFWOXZJKYAPUJE-MDZDMXLPSA-N -1 3 399.458 2.537 20 30 GFEDHM N#Cc1ccccc1N1CCC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000822842409 606112718 /nfs/dbraw/zinc/11/27/18/606112718.db2.gz HFWOXZJKYAPUJE-MDZDMXLPSA-N -1 3 399.458 2.537 20 30 GFEDHM Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822166972 606301049 /nfs/dbraw/zinc/30/10/49/606301049.db2.gz AGLNHNZYMQYWQX-YJBOKZPZSA-N -1 3 375.436 2.696 20 30 GFEDHM C[C@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000820298851 606310334 /nfs/dbraw/zinc/31/03/34/606310334.db2.gz BIZXOBWRIGGEET-LLVKDONJSA-N -1 3 388.460 2.987 20 30 GFEDHM C[C@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000820298851 606310336 /nfs/dbraw/zinc/31/03/36/606310336.db2.gz BIZXOBWRIGGEET-LLVKDONJSA-N -1 3 388.460 2.987 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000822832507 606340013 /nfs/dbraw/zinc/34/00/13/606340013.db2.gz BULVSHFVOKZKAX-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000822832507 606340015 /nfs/dbraw/zinc/34/00/15/606340015.db2.gz BULVSHFVOKZKAX-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819739968 606496554 /nfs/dbraw/zinc/49/65/54/606496554.db2.gz LYSRBACQNIPYDN-UHFFFAOYSA-N -1 3 394.460 2.995 20 30 GFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819739968 606496556 /nfs/dbraw/zinc/49/65/56/606496556.db2.gz LYSRBACQNIPYDN-UHFFFAOYSA-N -1 3 394.460 2.995 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822802267 606505146 /nfs/dbraw/zinc/50/51/46/606505146.db2.gz YGDGMPTXUDLSOY-JKSUJKDBSA-N -1 3 393.476 2.638 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822802267 606505147 /nfs/dbraw/zinc/50/51/47/606505147.db2.gz YGDGMPTXUDLSOY-JKSUJKDBSA-N -1 3 393.476 2.638 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822800984 606505166 /nfs/dbraw/zinc/50/51/66/606505166.db2.gz CQXQJNUJHIQIQZ-RTBURBONSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822800984 606505168 /nfs/dbraw/zinc/50/51/68/606505168.db2.gz CQXQJNUJHIQIQZ-RTBURBONSA-N -1 3 387.447 2.577 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822196464 606659924 /nfs/dbraw/zinc/65/99/24/606659924.db2.gz KQHIRBLYFRWDDR-UHFFFAOYSA-N -1 3 375.436 2.842 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822196464 606659925 /nfs/dbraw/zinc/65/99/25/606659925.db2.gz KQHIRBLYFRWDDR-UHFFFAOYSA-N -1 3 375.436 2.842 20 30 GFEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)C1 ZINC000820643127 606902062 /nfs/dbraw/zinc/90/20/62/606902062.db2.gz QJEZAMSGTAMEOW-UHFFFAOYSA-N -1 3 375.392 2.932 20 30 GFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000819773600 606988094 /nfs/dbraw/zinc/98/80/94/606988094.db2.gz WHUGIDHCJYNPOJ-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)cc1Cl ZINC000819773600 606988095 /nfs/dbraw/zinc/98/80/95/606988095.db2.gz WHUGIDHCJYNPOJ-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM N#Cc1ccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cc3Cl)C2=O)cc1 ZINC000822829725 607124254 /nfs/dbraw/zinc/12/42/54/607124254.db2.gz GGSRPSNZUNGVBR-INIZCTEOSA-N -1 3 379.811 2.609 20 30 GFEDHM N#CCSc1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000822815478 607171688 /nfs/dbraw/zinc/17/16/88/607171688.db2.gz RIWYLLBCTHBCBJ-UHFFFAOYSA-N -1 3 384.396 2.639 20 30 GFEDHM N#CCSc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000822815478 607171689 /nfs/dbraw/zinc/17/16/89/607171689.db2.gz RIWYLLBCTHBCBJ-UHFFFAOYSA-N -1 3 384.396 2.639 20 30 GFEDHM CC(C)(C)OC(=O)Nc1ncccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824113958 607782953 /nfs/dbraw/zinc/78/29/53/607782953.db2.gz GYPHIOAHXIJUJR-UHFFFAOYSA-N -1 3 394.439 2.732 20 30 GFEDHM CC(C)(C)OC(=O)Nc1ncccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824113958 607782954 /nfs/dbraw/zinc/78/29/54/607782954.db2.gz GYPHIOAHXIJUJR-UHFFFAOYSA-N -1 3 394.439 2.732 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000823909988 607837002 /nfs/dbraw/zinc/83/70/02/607837002.db2.gz VGGRQGKGTRIWNZ-RCCFBDPRSA-N -1 3 394.479 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000823909988 607837003 /nfs/dbraw/zinc/83/70/03/607837003.db2.gz VGGRQGKGTRIWNZ-RCCFBDPRSA-N -1 3 394.479 2.522 20 30 GFEDHM C#CCOCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000823850579 607883884 /nfs/dbraw/zinc/88/38/84/607883884.db2.gz RXJMUEMDNQHKEF-UHFFFAOYSA-N -1 3 393.422 2.575 20 30 GFEDHM C#CCOCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000823850579 607883885 /nfs/dbraw/zinc/88/38/85/607883885.db2.gz RXJMUEMDNQHKEF-UHFFFAOYSA-N -1 3 393.422 2.575 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(N2CCOC2=O)c1 ZINC000826401339 607917062 /nfs/dbraw/zinc/91/70/62/607917062.db2.gz WEHRHOQSQFSTBO-FNORWQNLSA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000826401339 607917063 /nfs/dbraw/zinc/91/70/63/607917063.db2.gz WEHRHOQSQFSTBO-FNORWQNLSA-N -1 3 379.351 2.859 20 30 GFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000824148184 608025413 /nfs/dbraw/zinc/02/54/13/608025413.db2.gz OLSSWKQKEYLZSY-UHFFFAOYSA-N -1 3 379.424 2.507 20 30 GFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000824148184 608025414 /nfs/dbraw/zinc/02/54/14/608025414.db2.gz OLSSWKQKEYLZSY-UHFFFAOYSA-N -1 3 379.424 2.507 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000823910219 608059274 /nfs/dbraw/zinc/05/92/74/608059274.db2.gz ZKIYBSXHKOEHLE-UHFFFAOYSA-N -1 3 391.406 2.996 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000823910219 608059275 /nfs/dbraw/zinc/05/92/75/608059275.db2.gz ZKIYBSXHKOEHLE-UHFFFAOYSA-N -1 3 391.406 2.996 20 30 GFEDHM Cc1sc(NC(=O)CNC2(c3cccc(C#N)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000826349740 608532562 /nfs/dbraw/zinc/53/25/62/608532562.db2.gz SPPCOFJYOQLZMP-UHFFFAOYSA-N -1 3 393.476 2.634 20 30 GFEDHM N#Cc1cn(Cc2cccc(-c3nnn[n-]3)c2F)c2ccc(Cl)cc2c1=O ZINC000826387704 608673047 /nfs/dbraw/zinc/67/30/47/608673047.db2.gz MABMXYNWHCBXHV-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cn(Cc2cccc(-c3nn[n-]n3)c2F)c2ccc(Cl)cc2c1=O ZINC000826387704 608673050 /nfs/dbraw/zinc/67/30/50/608673050.db2.gz MABMXYNWHCBXHV-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399735 609272273 /nfs/dbraw/zinc/27/22/73/609272273.db2.gz DRGAYNJRFYOVBA-KXFIGUGUSA-N -1 3 379.330 2.622 20 30 GFEDHM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399735 609272275 /nfs/dbraw/zinc/27/22/75/609272275.db2.gz DRGAYNJRFYOVBA-KXFIGUGUSA-N -1 3 379.330 2.622 20 30 GFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1-n1cncn1 ZINC000826266305 609272374 /nfs/dbraw/zinc/27/23/74/609272374.db2.gz KGDPDCMOXFZUBH-CLTKARDFSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1-n1cncn1 ZINC000826266305 609272375 /nfs/dbraw/zinc/27/23/75/609272375.db2.gz KGDPDCMOXFZUBH-CLTKARDFSA-N -1 3 375.367 2.791 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1-c1nnn[n-]1 ZINC000825539984 609405395 /nfs/dbraw/zinc/40/53/95/609405395.db2.gz UKLKKEADWRXBTF-UHFFFAOYSA-N -1 3 398.427 2.593 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N2CCC(CC#N)CC2)cc1-c1nn[n-]n1 ZINC000825539984 609405398 /nfs/dbraw/zinc/40/53/98/609405398.db2.gz UKLKKEADWRXBTF-UHFFFAOYSA-N -1 3 398.427 2.593 20 30 GFEDHM COc1ccc(C=C2CN(C(C)=O)Cc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190767 609406127 /nfs/dbraw/zinc/40/61/27/609406127.db2.gz MQHOWMOXIIPGRU-CXUHLZMHSA-N -1 3 389.415 2.504 20 30 GFEDHM COc1ccc(C=C2CN(C(C)=O)Cc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190767 609406128 /nfs/dbraw/zinc/40/61/28/609406128.db2.gz MQHOWMOXIIPGRU-CXUHLZMHSA-N -1 3 389.415 2.504 20 30 GFEDHM COc1ccc(C=C2CN(C(C)=O)Cc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190768 609406300 /nfs/dbraw/zinc/40/63/00/609406300.db2.gz MQHOWMOXIIPGRU-SXGWCWSVSA-N -1 3 389.415 2.504 20 30 GFEDHM COc1ccc(C=C2CN(C(C)=O)Cc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190768 609406303 /nfs/dbraw/zinc/40/63/03/609406303.db2.gz MQHOWMOXIIPGRU-SXGWCWSVSA-N -1 3 389.415 2.504 20 30 GFEDHM N#CCC1CCN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000826380942 609428811 /nfs/dbraw/zinc/42/88/11/609428811.db2.gz RCWWGMDFZLZWMJ-UHFFFAOYSA-N -1 3 399.524 2.761 20 30 GFEDHM N#CCC1CCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000826380942 609428813 /nfs/dbraw/zinc/42/88/13/609428813.db2.gz RCWWGMDFZLZWMJ-UHFFFAOYSA-N -1 3 399.524 2.761 20 30 GFEDHM C[C@@H]1C[C@@H](NN=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824893093 609518887 /nfs/dbraw/zinc/51/88/87/609518887.db2.gz PCBBMXQBJMSXDD-QAPCUYQASA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@@H]1C[C@@H](NN=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCO1 ZINC000824893093 609518889 /nfs/dbraw/zinc/51/88/89/609518889.db2.gz PCBBMXQBJMSXDD-QAPCUYQASA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@H]1C[C@@H](NN=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824893095 609519078 /nfs/dbraw/zinc/51/90/78/609519078.db2.gz PCBBMXQBJMSXDD-YJBOKZPZSA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@H]1C[C@@H](NN=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCO1 ZINC000824893095 609519080 /nfs/dbraw/zinc/51/90/80/609519080.db2.gz PCBBMXQBJMSXDD-YJBOKZPZSA-N -1 3 392.463 2.937 20 30 GFEDHM Cc1c(Cl)cnc(N2CCN(c3ccc(C#N)cc3F)CC2)c1-c1nnn[n-]1 ZINC000826237790 609545377 /nfs/dbraw/zinc/54/53/77/609545377.db2.gz LOVXFAHLQSFGJK-UHFFFAOYSA-N -1 3 398.833 2.561 20 30 GFEDHM Cc1c(Cl)cnc(N2CCN(c3ccc(C#N)cc3F)CC2)c1-c1nn[n-]n1 ZINC000826237790 609545378 /nfs/dbraw/zinc/54/53/78/609545378.db2.gz LOVXFAHLQSFGJK-UHFFFAOYSA-N -1 3 398.833 2.561 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC000820544467 660296843 /nfs/dbraw/zinc/29/68/43/660296843.db2.gz LQNPOJLUTUGSLX-SNVBAGLBSA-N -1 3 399.138 2.717 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000832348479 660774359 /nfs/dbraw/zinc/77/43/59/660774359.db2.gz NHRHVYDTRDRBRX-OLZOCXBDSA-N -1 3 394.276 2.792 20 30 GFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000125327539 654791091 /nfs/dbraw/zinc/79/10/91/654791091.db2.gz VNURURFTBXXCQB-LBPRGKRZSA-N -1 3 390.408 2.959 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)C#N)c(Cl)cc1Cl ZINC000171848301 655154686 /nfs/dbraw/zinc/15/46/86/655154686.db2.gz UZFRKHWLSBLUIU-SNVBAGLBSA-N -1 3 392.308 2.817 20 30 GFEDHM COCCNS(=O)(=O)c1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000117545016 655265806 /nfs/dbraw/zinc/26/58/06/655265806.db2.gz WYZOSSDXSTUKEM-XDHOZWIPSA-N -1 3 382.869 2.589 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(CCC)s2)ccc1F ZINC000180254288 655324511 /nfs/dbraw/zinc/32/45/11/655324511.db2.gz QTLLLNADBFEBND-UHFFFAOYSA-N -1 3 383.470 2.951 20 30 GFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000234026406 655424296 /nfs/dbraw/zinc/42/42/96/655424296.db2.gz BUHSUKNMYGEDQZ-SECBINFHSA-N -1 3 381.089 2.902 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2sc(C)nc2C)ccc1F ZINC000729654372 655566456 /nfs/dbraw/zinc/56/64/56/655566456.db2.gz UDRIYKHSVYVOBI-UHFFFAOYSA-N -1 3 384.454 2.720 20 30 GFEDHM C[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000743044936 655725659 /nfs/dbraw/zinc/72/56/59/655725659.db2.gz UWIJQPMVLOGJSC-DOQFTSGBSA-N -1 3 377.242 2.501 20 30 GFEDHM C[C@H](CC(=O)OCc1ccc(Cl)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744072651 655734799 /nfs/dbraw/zinc/73/47/99/655734799.db2.gz UGZUJLRSJXAYAK-SNVBAGLBSA-N -1 3 398.893 2.962 20 30 GFEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1nc(-c2ccncc2)no1 ZINC000755679072 655887204 /nfs/dbraw/zinc/88/72/04/655887204.db2.gz ODYPLXPFHFFCDZ-UHFFFAOYSA-N -1 3 376.170 2.751 20 30 GFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000779624736 656934690 /nfs/dbraw/zinc/93/46/90/656934690.db2.gz RKSSJQAQTKXXIC-UHFFFAOYSA-N -1 3 398.706 2.895 20 30 GFEDHM C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000783342056 657224762 /nfs/dbraw/zinc/22/47/62/657224762.db2.gz XDOOVNFVZDJKCF-JTQLQIEISA-N -1 3 384.866 2.856 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c(Cl)cc1Cl ZINC000811838861 660016633 /nfs/dbraw/zinc/01/66/33/660016633.db2.gz XCXYZEPYBZAJEH-CQSZACIVSA-N -1 3 377.249 2.751 20 30 GFEDHM C#C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000812353687 660025344 /nfs/dbraw/zinc/02/53/44/660025344.db2.gz WJBGJZCWHFDSRD-OAHLLOKOSA-N -1 3 378.837 2.521 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000848135165 661627061 /nfs/dbraw/zinc/62/70/61/661627061.db2.gz LBXNXICKMMARGB-JTQLQIEISA-N -1 3 381.148 2.578 20 30 GFEDHM CNS(=O)(=O)c1csc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901371840 663734797 /nfs/dbraw/zinc/73/47/97/663734797.db2.gz ZOWSILZVARMTQQ-UHFFFAOYSA-N -1 3 376.459 2.841 20 30 GFEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000915251033 664425464 /nfs/dbraw/zinc/42/54/64/664425464.db2.gz BCKFRGKVUMTNKW-GJZGRUSLSA-N -1 3 378.416 2.542 20 30 GFEDHM COc1cc(C#N)ccc1OCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151551625 551415808 /nfs/dbraw/zinc/41/58/08/551415808.db2.gz QSEYDVDZIUJELO-UHFFFAOYSA-N -1 3 391.221 2.730 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000157329179 551537120 /nfs/dbraw/zinc/53/71/20/551537120.db2.gz SLCOBXILVQMYRL-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM C[C@@]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000178601996 552173351 /nfs/dbraw/zinc/17/33/51/552173351.db2.gz DIIPTGQWELCKOS-INIZCTEOSA-N -1 3 398.271 2.544 20 30 GFEDHM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183533084 552312403 /nfs/dbraw/zinc/31/24/03/552312403.db2.gz WUUSAMLRMYWZDW-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000183644314 552315964 /nfs/dbraw/zinc/31/59/64/552315964.db2.gz AEAPGDCWYALCPL-CYBMUJFWSA-N -1 3 378.837 2.502 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccccc1 ZINC000185533269 552365064 /nfs/dbraw/zinc/36/50/64/552365064.db2.gz LOEJMAAITIBKHQ-AEFFLSMTSA-N -1 3 375.881 2.935 20 30 GFEDHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186060550 552377989 /nfs/dbraw/zinc/37/79/89/552377989.db2.gz ZAUNLVRPTUSQTC-UHFFFAOYSA-N -1 3 377.853 2.746 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188552250 552448135 /nfs/dbraw/zinc/44/81/35/552448135.db2.gz MVGUWANWIJSFFJ-SMDDNHRTSA-N -1 3 396.818 2.974 20 30 GFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1COc2cc(F)c(Br)cc21 ZINC000295992030 563270796 /nfs/dbraw/zinc/27/07/96/563270796.db2.gz LPVSBTXNRFUKNT-LBPRGKRZSA-N -1 3 391.262 2.881 20 30 GFEDHM N#CCCCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000375463044 563405579 /nfs/dbraw/zinc/40/55/79/563405579.db2.gz XNUQUHLTRXBDRH-ZDUSSCGKSA-N -1 3 390.292 2.712 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000428411578 563490907 /nfs/dbraw/zinc/49/09/07/563490907.db2.gz FPGZWNYNFRDJQM-NSHDSACASA-N -1 3 397.287 2.817 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)cc1C(F)(F)F ZINC000330587316 563512072 /nfs/dbraw/zinc/51/20/72/563512072.db2.gz MGEZBZVFXJYWIP-LLVKDONJSA-N -1 3 388.289 2.577 20 30 GFEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C(C)C)cc1Cl ZINC000330920959 563527535 /nfs/dbraw/zinc/52/75/35/563527535.db2.gz PVGKCYOWVYCRCO-JTQLQIEISA-N -1 3 381.679 2.938 20 30 GFEDHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(F)ccc1OCC(F)(F)F)C(F)(F)F ZINC000288285496 563637085 /nfs/dbraw/zinc/63/70/85/563637085.db2.gz DYWLJUMDKAQOPG-ZCFIWIBFSA-N -1 3 376.228 2.772 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2ncc(Cl)cc2Cl)s1 ZINC000435423159 563649365 /nfs/dbraw/zinc/64/93/65/563649365.db2.gz SCXBZDYROAHVAA-UHFFFAOYSA-N -1 3 377.278 2.712 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000435440388 563651124 /nfs/dbraw/zinc/65/11/24/563651124.db2.gz WHYBXERPLRODNM-UHFFFAOYSA-N -1 3 375.519 2.735 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)ccc1Cl ZINC000436474316 563671021 /nfs/dbraw/zinc/67/10/21/563671021.db2.gz DQGXMSYCWYSBCQ-UHFFFAOYSA-N -1 3 377.788 2.937 20 30 GFEDHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1cc(C#N)cs1 ZINC000437407320 563694491 /nfs/dbraw/zinc/69/44/91/563694491.db2.gz OUMLCHWYIAHVLN-UHFFFAOYSA-N -1 3 377.447 2.778 20 30 GFEDHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000443033424 563788638 /nfs/dbraw/zinc/78/86/38/563788638.db2.gz OENCWXOMHMYTOS-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)C1 ZINC000443086130 563791103 /nfs/dbraw/zinc/79/11/03/563791103.db2.gz LZUGNWJNVQAHMW-OAHLLOKOSA-N -1 3 375.881 2.764 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000443090977 563791271 /nfs/dbraw/zinc/79/12/71/563791271.db2.gz GJMZOQPTEURVHN-QGZVFWFLSA-N -1 3 377.897 2.663 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000443097441 563792025 /nfs/dbraw/zinc/79/20/25/563792025.db2.gz UZUFRPGNOLFEAM-OAHLLOKOSA-N -1 3 379.869 2.920 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)CCCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000471887956 564206180 /nfs/dbraw/zinc/20/61/80/564206180.db2.gz KPRWJFADMVBQFP-JTQLQIEISA-N -1 3 399.270 2.783 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000508090509 564253572 /nfs/dbraw/zinc/25/35/72/564253572.db2.gz WQXRYJPTEWGANG-LBPRGKRZSA-N -1 3 381.292 2.902 20 30 GFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCc2ccccc21 ZINC000475540640 564311401 /nfs/dbraw/zinc/31/14/01/564311401.db2.gz KBRSBNGLLQWMQY-CYBMUJFWSA-N -1 3 375.881 2.941 20 30 GFEDHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451487060 564317816 /nfs/dbraw/zinc/31/78/16/564317816.db2.gz FUNPEXODEDVXLT-HNNXBMFYSA-N -1 3 386.901 2.673 20 30 GFEDHM CC[C@@](C)(C#N)C(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000510681026 564343420 /nfs/dbraw/zinc/34/34/20/564343420.db2.gz LFPDEVRYQXEUGM-HNNXBMFYSA-N -1 3 394.216 2.982 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511336944 564368356 /nfs/dbraw/zinc/36/83/56/564368356.db2.gz BOZJLHBJDZXZSH-LLVKDONJSA-N -1 3 385.221 2.796 20 30 GFEDHM C=CCC1(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CCCC1 ZINC000451949818 564371258 /nfs/dbraw/zinc/37/12/58/564371258.db2.gz DQKZEOAPHZSRFP-UHFFFAOYSA-N -1 3 375.487 2.644 20 30 GFEDHM N#Cc1c[nH]c(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)c1 ZINC000479662116 564447326 /nfs/dbraw/zinc/44/73/26/564447326.db2.gz BYCCKPKKVFXAOT-UHFFFAOYSA-N -1 3 375.161 2.825 20 30 GFEDHM C=C(CC)CNC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000454021083 564491280 /nfs/dbraw/zinc/49/12/80/564491280.db2.gz CWAXYZCJWAQMSP-UHFFFAOYSA-N -1 3 382.507 2.735 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000481234779 564506515 /nfs/dbraw/zinc/50/65/15/564506515.db2.gz SHMWNBOILBLFHD-RKDXNWHRSA-N -1 3 384.280 2.612 20 30 GFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000570473368 564507274 /nfs/dbraw/zinc/50/72/74/564507274.db2.gz ZSROCGFADOQUTR-UHFFFAOYSA-N -1 3 383.271 2.577 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000517395565 564533172 /nfs/dbraw/zinc/53/31/72/564533172.db2.gz KMBTUCCZUWTIEQ-UWVGGRQHSA-N -1 3 391.262 2.957 20 30 GFEDHM CCC(CC)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC ZINC000490562139 564777240 /nfs/dbraw/zinc/77/72/40/564777240.db2.gz YEDDQDYJYIFVRV-UHFFFAOYSA-N -1 3 375.288 2.804 20 30 GFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)o1 ZINC000490601449 564778601 /nfs/dbraw/zinc/77/86/01/564778601.db2.gz MCAVSSNECORJMP-UHFFFAOYSA-N -1 3 384.255 2.658 20 30 GFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494347879 564825885 /nfs/dbraw/zinc/82/58/85/564825885.db2.gz JTJWVLHSPHVURO-ZDUSSCGKSA-N -1 3 390.259 2.964 20 30 GFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000582101274 564831574 /nfs/dbraw/zinc/83/15/74/564831574.db2.gz MTKHTMAQCICTEG-UHFFFAOYSA-N -1 3 383.271 2.577 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000557795305 564876587 /nfs/dbraw/zinc/87/65/87/564876587.db2.gz JMUPVHNBESMFFO-INIZCTEOSA-N -1 3 379.869 2.920 20 30 GFEDHM CCOC(=O)c1sc2ccsc2c1C[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000463429741 564881767 /nfs/dbraw/zinc/88/17/67/564881767.db2.gz RROAHJHVHOBDHA-UHFFFAOYSA-N -1 3 384.504 2.863 20 30 GFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464421377 564906325 /nfs/dbraw/zinc/90/63/25/564906325.db2.gz QSRPNSJDKGBDBN-ZDUSSCGKSA-N -1 3 390.259 2.964 20 30 GFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000558596806 564908918 /nfs/dbraw/zinc/90/89/18/564908918.db2.gz LVSCKCQKZQKWBG-UHFFFAOYSA-N -1 3 386.842 2.572 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000561466172 564995220 /nfs/dbraw/zinc/99/52/20/564995220.db2.gz OJAXYMXIXUQCSZ-GOEBONIOSA-N -1 3 383.445 2.622 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(N)=O)c2cccc(Cl)c2)c(Cl)c1 ZINC000503454379 565020302 /nfs/dbraw/zinc/02/03/02/565020302.db2.gz KLSSVTCDKPEPJI-CQSZACIVSA-N -1 3 398.271 2.760 20 30 GFEDHM CC[C@@](C)(C#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000537858153 565064009 /nfs/dbraw/zinc/06/40/09/565064009.db2.gz JUAUJMSVAIVIBL-HNNXBMFYSA-N -1 3 395.200 2.555 20 30 GFEDHM C=CCCCNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000685840204 565125827 /nfs/dbraw/zinc/12/58/27/565125827.db2.gz SFNGRJRYSSYBRJ-UHFFFAOYSA-N -1 3 384.807 2.720 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)c1ccc(Cl)cc1 ZINC000588144427 565129074 /nfs/dbraw/zinc/12/90/74/565129074.db2.gz JEBIAXWALKWSTJ-CYBMUJFWSA-N -1 3 385.272 2.919 20 30 GFEDHM COc1cc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc(OC)c1OC ZINC000593531311 565337609 /nfs/dbraw/zinc/33/76/09/565337609.db2.gz RMWNJUHXDMIWQJ-SNVBAGLBSA-N -1 3 382.463 2.685 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1nc(C)cs1 ZINC000593545221 565339389 /nfs/dbraw/zinc/33/93/89/565339389.db2.gz VHENMYFYYAROHW-ZDUSSCGKSA-N -1 3 379.463 2.539 20 30 GFEDHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000593569815 565342934 /nfs/dbraw/zinc/34/29/34/565342934.db2.gz QLNGREDHZWPAMV-WBMJQRKESA-N -1 3 395.893 2.523 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000593589721 565345458 /nfs/dbraw/zinc/34/54/58/565345458.db2.gz XHUGSYCQIJBZFW-SNVBAGLBSA-N -1 3 381.445 2.561 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000593591693 565346148 /nfs/dbraw/zinc/34/61/48/565346148.db2.gz LHFHADYMVJBPBG-INIZCTEOSA-N -1 3 382.894 2.953 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594485427 565394833 /nfs/dbraw/zinc/39/48/33/565394833.db2.gz SFPYRSFATZUHMT-HOCLYGCPSA-N -1 3 399.310 2.947 20 30 GFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000594814970 565424941 /nfs/dbraw/zinc/42/49/41/565424941.db2.gz HMXGLUSDYUIGNP-UHFFFAOYSA-N -1 3 395.300 2.945 20 30 GFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000594810805 565424975 /nfs/dbraw/zinc/42/49/75/565424975.db2.gz XOXHSBZAKRIDTO-UHFFFAOYSA-N -1 3 378.475 2.928 20 30 GFEDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)COCc1ccccc1 ZINC000594819288 565425009 /nfs/dbraw/zinc/42/50/09/565425009.db2.gz HADLCQYMWQMOBB-QGZVFWFLSA-N -1 3 380.491 2.520 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)ccc1F ZINC000594820005 565426096 /nfs/dbraw/zinc/42/60/96/565426096.db2.gz YMCOIHQXCZOMEK-AWEZNQCLSA-N -1 3 380.363 2.866 20 30 GFEDHM O=S(=O)([N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)c(F)c1 ZINC000644274990 565469299 /nfs/dbraw/zinc/46/92/99/565469299.db2.gz LANQJVDGZRTJEZ-HQJQHLMTSA-N -1 3 395.296 2.969 20 30 GFEDHM C=CC(C)(C)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000624464538 565557599 /nfs/dbraw/zinc/55/75/99/565557599.db2.gz DJIDWXOVICPXJJ-UHFFFAOYSA-N -1 3 379.935 2.581 20 30 GFEDHM N#CC1(CC(=O)Nc2cc(I)ccc2[O-])CCOCC1 ZINC000597442263 565561159 /nfs/dbraw/zinc/56/11/59/565561159.db2.gz RYFRWYJWGOUZJL-UHFFFAOYSA-N -1 3 386.189 2.646 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000650217321 565807757 /nfs/dbraw/zinc/80/77/57/565807757.db2.gz KIVPTMVDQBWVJH-OLZOCXBDSA-N -1 3 390.299 2.860 20 30 GFEDHM CC(C)N(CCC#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000608814453 566024090 /nfs/dbraw/zinc/02/40/90/566024090.db2.gz YMSCATWWZLIHTF-UHFFFAOYSA-N -1 3 392.308 2.812 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000736309425 598867238 /nfs/dbraw/zinc/86/72/38/598867238.db2.gz NUEJUEKFTXDVEB-SXSDINLZSA-N -1 3 388.431 2.877 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000736309425 598867240 /nfs/dbraw/zinc/86/72/40/598867240.db2.gz NUEJUEKFTXDVEB-SXSDINLZSA-N -1 3 388.431 2.877 20 30 GFEDHM COC(=O)[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896277 598881786 /nfs/dbraw/zinc/88/17/86/598881786.db2.gz HOBBCLUUEAOJHK-SFHVURJKSA-N -1 3 392.419 2.875 20 30 GFEDHM COC(=O)[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896277 598881787 /nfs/dbraw/zinc/88/17/87/598881787.db2.gz HOBBCLUUEAOJHK-SFHVURJKSA-N -1 3 392.419 2.875 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)ccc1-c1nnn[n-]1 ZINC000737710394 598920462 /nfs/dbraw/zinc/92/04/62/598920462.db2.gz XRBXVZAIDUIVCH-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)ccc1-c1nn[n-]n1 ZINC000737710394 598920463 /nfs/dbraw/zinc/92/04/63/598920463.db2.gz XRBXVZAIDUIVCH-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1-c1nnn[n-]1 ZINC000737718608 598920983 /nfs/dbraw/zinc/92/09/83/598920983.db2.gz KXQAPKWDXUWJQZ-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1-c1nn[n-]n1 ZINC000737718608 598920984 /nfs/dbraw/zinc/92/09/84/598920984.db2.gz KXQAPKWDXUWJQZ-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000736480946 598951040 /nfs/dbraw/zinc/95/10/40/598951040.db2.gz PVRHVJLHLGXLPW-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000736480946 598951042 /nfs/dbraw/zinc/95/10/42/598951042.db2.gz PVRHVJLHLGXLPW-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000819939536 607254205 /nfs/dbraw/zinc/25/42/05/607254205.db2.gz FYNAABBCYMBYEX-OAHLLOKOSA-N -1 3 385.472 2.637 20 30 GFEDHM CC(C)(C)OC(=O)NC[C@H]1CCCC1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000819939536 607254206 /nfs/dbraw/zinc/25/42/06/607254206.db2.gz FYNAABBCYMBYEX-OAHLLOKOSA-N -1 3 385.472 2.637 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000735426664 598954211 /nfs/dbraw/zinc/95/42/11/598954211.db2.gz UMNYYHZOKPALNU-NRFANRHFSA-N -1 3 396.495 2.624 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000735426664 598954212 /nfs/dbraw/zinc/95/42/12/598954212.db2.gz UMNYYHZOKPALNU-NRFANRHFSA-N -1 3 396.495 2.624 20 30 GFEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCN(Cc3ccccn3)C[C@@H]2C)o1 ZINC000736289187 599009713 /nfs/dbraw/zinc/00/97/13/599009713.db2.gz KLOPAZZMIQAYAV-ZDUSSCGKSA-N -1 3 395.471 2.683 20 30 GFEDHM O=C(/C=C/c1cnc2ccc(-c3nn[n-]n3)cn12)c1c(Cl)nc2sccn21 ZINC000737804641 599158378 /nfs/dbraw/zinc/15/83/78/599158378.db2.gz COADGZXEFHSEAE-NSCUHMNNSA-N -1 3 396.823 2.773 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737794972 599220629 /nfs/dbraw/zinc/22/06/29/599220629.db2.gz HJPINYCBVVKJJL-XCVCLJGOSA-N -1 3 390.371 2.759 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737794972 599220632 /nfs/dbraw/zinc/22/06/32/599220632.db2.gz HJPINYCBVVKJJL-XCVCLJGOSA-N -1 3 390.371 2.759 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000821412179 599268013 /nfs/dbraw/zinc/26/80/13/599268013.db2.gz JFATZEQZXUCIPY-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000821412179 599268015 /nfs/dbraw/zinc/26/80/15/599268015.db2.gz JFATZEQZXUCIPY-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819709625 599285788 /nfs/dbraw/zinc/28/57/88/599285788.db2.gz MPVJNLOYFVWOLB-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819709625 599285791 /nfs/dbraw/zinc/28/57/91/599285791.db2.gz MPVJNLOYFVWOLB-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735387584 598417100 /nfs/dbraw/zinc/41/71/00/598417100.db2.gz AMKWNCQVQMDQJH-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735387584 598417101 /nfs/dbraw/zinc/41/71/01/598417101.db2.gz AMKWNCQVQMDQJH-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)nc1 ZINC000737711166 598443413 /nfs/dbraw/zinc/44/34/13/598443413.db2.gz GKWMRZWDSBUTII-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)nc1 ZINC000737711166 598443415 /nfs/dbraw/zinc/44/34/15/598443415.db2.gz GKWMRZWDSBUTII-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737693827 598535308 /nfs/dbraw/zinc/53/53/08/598535308.db2.gz KHGNCIIODWKSTK-UHFFFAOYSA-N -1 3 388.840 2.629 20 30 GFEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737693827 598535310 /nfs/dbraw/zinc/53/53/10/598535310.db2.gz KHGNCIIODWKSTK-UHFFFAOYSA-N -1 3 388.840 2.629 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737730606 598545691 /nfs/dbraw/zinc/54/56/91/598545691.db2.gz NSCXRTOSHBINQM-SOFGYWHQSA-N -1 3 382.330 2.992 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737730606 598545693 /nfs/dbraw/zinc/54/56/93/598545693.db2.gz NSCXRTOSHBINQM-SOFGYWHQSA-N -1 3 382.330 2.992 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000737033499 598586449 /nfs/dbraw/zinc/58/64/49/598586449.db2.gz QVKSSFKIPANGKA-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000737033499 598586451 /nfs/dbraw/zinc/58/64/51/598586451.db2.gz QVKSSFKIPANGKA-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000109266819 598587383 /nfs/dbraw/zinc/58/73/83/598587383.db2.gz FOXYHVKMQYOGNQ-UHFFFAOYSA-N -1 3 389.419 2.532 20 30 GFEDHM N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000109266819 598587385 /nfs/dbraw/zinc/58/73/85/598587385.db2.gz FOXYHVKMQYOGNQ-UHFFFAOYSA-N -1 3 389.419 2.532 20 30 GFEDHM CC(C)(C)C(=O)C=C1SCC(=O)N1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735586037 598673955 /nfs/dbraw/zinc/67/39/55/598673955.db2.gz HZBQNMSLAVTMTO-VIZOYTHASA-N -1 3 375.429 2.538 20 30 GFEDHM CC(C)(C)C(=O)C=C1SCC(=O)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735586037 598673956 /nfs/dbraw/zinc/67/39/56/598673956.db2.gz HZBQNMSLAVTMTO-VIZOYTHASA-N -1 3 375.429 2.538 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735963126 598752776 /nfs/dbraw/zinc/75/27/76/598752776.db2.gz ATKPCMLAHPXXBO-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735963126 598752778 /nfs/dbraw/zinc/75/27/78/598752778.db2.gz ATKPCMLAHPXXBO-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@@H](SCC(=O)NCc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190502 599328893 /nfs/dbraw/zinc/32/88/93/599328893.db2.gz SPBCKKXOZHNSKD-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@@H](SCC(=O)NCc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190502 599328895 /nfs/dbraw/zinc/32/88/95/599328895.db2.gz SPBCKKXOZHNSKD-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM C=CCc1ccc(OCC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000819759426 599510388 /nfs/dbraw/zinc/51/03/88/599510388.db2.gz XJMXFYWMLGDZFB-AWEZNQCLSA-N -1 3 393.447 2.860 20 30 GFEDHM C=CCc1ccc(OCC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000819759426 599510390 /nfs/dbraw/zinc/51/03/90/599510390.db2.gz XJMXFYWMLGDZFB-AWEZNQCLSA-N -1 3 393.447 2.860 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822842799 599652484 /nfs/dbraw/zinc/65/24/84/599652484.db2.gz ZKTCRGOCISVKES-HJWRWDBZSA-N -1 3 399.370 2.545 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822842799 599652485 /nfs/dbraw/zinc/65/24/85/599652485.db2.gz ZKTCRGOCISVKES-HJWRWDBZSA-N -1 3 399.370 2.545 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000819744100 599682587 /nfs/dbraw/zinc/68/25/87/599682587.db2.gz WGTWQXJOEGFCOV-UZLBHIALSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000819744100 599682588 /nfs/dbraw/zinc/68/25/88/599682588.db2.gz WGTWQXJOEGFCOV-UZLBHIALSA-N -1 3 384.484 2.768 20 30 GFEDHM Cc1cc(C#N)ccc1COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826256887 607412035 /nfs/dbraw/zinc/41/20/35/607412035.db2.gz FESVHNHJZJYEPZ-UHFFFAOYSA-N -1 3 377.404 2.948 20 30 GFEDHM Cc1cc(C#N)ccc1COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826256887 607412037 /nfs/dbraw/zinc/41/20/37/607412037.db2.gz FESVHNHJZJYEPZ-UHFFFAOYSA-N -1 3 377.404 2.948 20 30 GFEDHM CN(C[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739637702 602379517 /nfs/dbraw/zinc/37/95/17/602379517.db2.gz QSPXCYHKJZIDEF-ZIAGYGMSSA-N -1 3 386.477 2.794 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823920133 607625621 /nfs/dbraw/zinc/62/56/21/607625621.db2.gz YAUDWWPIEMTLTE-UHFFFAOYSA-N -1 3 378.436 2.773 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823920133 607625623 /nfs/dbraw/zinc/62/56/23/607625623.db2.gz YAUDWWPIEMTLTE-UHFFFAOYSA-N -1 3 378.436 2.773 20 30 GFEDHM N#CCC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000826381530 607711355 /nfs/dbraw/zinc/71/13/55/607711355.db2.gz PGCCFGBNJJIIRY-KRWDZBQOSA-N -1 3 379.399 2.850 20 30 GFEDHM N#CCC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000826381530 607711356 /nfs/dbraw/zinc/71/13/56/607711356.db2.gz PGCCFGBNJJIIRY-KRWDZBQOSA-N -1 3 379.399 2.850 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000825539608 607757865 /nfs/dbraw/zinc/75/78/65/607757865.db2.gz QTEIJFYEQDRDSJ-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000825539608 607757866 /nfs/dbraw/zinc/75/78/66/607757866.db2.gz QTEIJFYEQDRDSJ-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822814955 606141481 /nfs/dbraw/zinc/14/14/81/606141481.db2.gz MCYVUENIKLKYEZ-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822814955 606141482 /nfs/dbraw/zinc/14/14/82/606141482.db2.gz MCYVUENIKLKYEZ-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM N#CCCN(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1ccco1 ZINC000822810080 606191248 /nfs/dbraw/zinc/19/12/48/606191248.db2.gz BTIBTMVPRLDSAW-UHFFFAOYSA-N -1 3 399.842 2.858 20 30 GFEDHM N#CCCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)Cc1ccco1 ZINC000822810080 606191249 /nfs/dbraw/zinc/19/12/49/606191249.db2.gz BTIBTMVPRLDSAW-UHFFFAOYSA-N -1 3 399.842 2.858 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822665806 606230086 /nfs/dbraw/zinc/23/00/86/606230086.db2.gz YTWFCSDTEQMUJQ-UHFFFAOYSA-N -1 3 386.375 2.516 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822501044 606348858 /nfs/dbraw/zinc/34/88/58/606348858.db2.gz SKOHKSQSKCCMSS-HNNXBMFYSA-N -1 3 393.451 2.831 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822501044 606348860 /nfs/dbraw/zinc/34/88/60/606348860.db2.gz SKOHKSQSKCCMSS-HNNXBMFYSA-N -1 3 393.451 2.831 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924060 606391834 /nfs/dbraw/zinc/39/18/34/606391834.db2.gz WIPJGZVBXFLBAR-FNORWQNLSA-N -1 3 381.461 2.785 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000820535077 606412042 /nfs/dbraw/zinc/41/20/42/606412042.db2.gz NLOPGMJOWRJYNN-LLVKDONJSA-N -1 3 382.811 2.822 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000820535077 606412044 /nfs/dbraw/zinc/41/20/44/606412044.db2.gz NLOPGMJOWRJYNN-LLVKDONJSA-N -1 3 382.811 2.822 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801980 606440632 /nfs/dbraw/zinc/44/06/32/606440632.db2.gz SOBGRLUEAGRCDB-RTBURBONSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822801980 606440634 /nfs/dbraw/zinc/44/06/34/606440634.db2.gz SOBGRLUEAGRCDB-RTBURBONSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(Br)c1 ZINC000822801739 606555806 /nfs/dbraw/zinc/55/58/06/606555806.db2.gz NOJINEVCWKDTOO-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(Br)c1 ZINC000822801739 606555807 /nfs/dbraw/zinc/55/58/07/606555807.db2.gz NOJINEVCWKDTOO-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1c(F)cc(C#N)cc1F ZINC000821699583 606666617 /nfs/dbraw/zinc/66/66/17/606666617.db2.gz VORYEGCXXGLZNZ-UHFFFAOYSA-N -1 3 391.721 2.898 20 30 GFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1c(F)cc(C#N)cc1F ZINC000821699583 606666618 /nfs/dbraw/zinc/66/66/18/606666618.db2.gz VORYEGCXXGLZNZ-UHFFFAOYSA-N -1 3 391.721 2.898 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000819743899 606774487 /nfs/dbraw/zinc/77/44/87/606774487.db2.gz SEEZMZAKZYYFLG-KURKYZTESA-N -1 3 382.468 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000819743899 606774489 /nfs/dbraw/zinc/77/44/89/606774489.db2.gz SEEZMZAKZYYFLG-KURKYZTESA-N -1 3 382.468 2.522 20 30 GFEDHM C#CCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C1CCCC1 ZINC000819698085 606831192 /nfs/dbraw/zinc/83/11/92/606831192.db2.gz SBSCBFZGXUELHK-UHFFFAOYSA-N -1 3 384.509 2.683 20 30 GFEDHM C#CCN(C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C1CCCC1 ZINC000819698085 606831193 /nfs/dbraw/zinc/83/11/93/606831193.db2.gz SBSCBFZGXUELHK-UHFFFAOYSA-N -1 3 384.509 2.683 20 30 GFEDHM Clc1nc2ccccn2c1C=NOCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822589835 606840051 /nfs/dbraw/zinc/84/00/51/606840051.db2.gz AJHXXKKUKOXVNM-UHFFFAOYSA-N -1 3 397.826 2.987 20 30 GFEDHM Clc1nc2ccccn2c1C=NOCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822589835 606840052 /nfs/dbraw/zinc/84/00/52/606840052.db2.gz AJHXXKKUKOXVNM-UHFFFAOYSA-N -1 3 397.826 2.987 20 30 GFEDHM N#CC1(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)CCCCC1 ZINC000822801352 606852171 /nfs/dbraw/zinc/85/21/71/606852171.db2.gz HIQBUQLYTGGREN-UHFFFAOYSA-N -1 3 376.873 2.955 20 30 GFEDHM N#CC1(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)CCCCC1 ZINC000822801352 606852173 /nfs/dbraw/zinc/85/21/73/606852173.db2.gz HIQBUQLYTGGREN-UHFFFAOYSA-N -1 3 376.873 2.955 20 30 GFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC ZINC000821772779 606868172 /nfs/dbraw/zinc/86/81/72/606868172.db2.gz PIGJLENFQGOFTA-UHFFFAOYSA-N -1 3 392.419 2.672 20 30 GFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC ZINC000821772779 606868175 /nfs/dbraw/zinc/86/81/75/606868175.db2.gz PIGJLENFQGOFTA-UHFFFAOYSA-N -1 3 392.419 2.672 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(F)c(C#N)c2)n1 ZINC000821343131 607008099 /nfs/dbraw/zinc/00/80/99/607008099.db2.gz KFCMXPIYSITDSE-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(F)c(C#N)c2)n1 ZINC000821343131 607008101 /nfs/dbraw/zinc/00/81/01/607008101.db2.gz KFCMXPIYSITDSE-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM C=CCn1c(SCc2ccc(-c3nnn[n-]3)cc2F)nnc1-c1cnccn1 ZINC000819766620 607016384 /nfs/dbraw/zinc/01/63/84/607016384.db2.gz ZZIXLPNNIBJVNK-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM C=CCn1c(SCc2ccc(-c3nn[n-]n3)cc2F)nnc1-c1cnccn1 ZINC000819766620 607016385 /nfs/dbraw/zinc/01/63/85/607016385.db2.gz ZZIXLPNNIBJVNK-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822829771 607082911 /nfs/dbraw/zinc/08/29/11/607082911.db2.gz ICVQKEGNPKZPAY-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822829771 607082912 /nfs/dbraw/zinc/08/29/12/607082912.db2.gz ICVQKEGNPKZPAY-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H](C)CC#N)c1-c1nnn[n-]1 ZINC000822014875 607087761 /nfs/dbraw/zinc/08/77/61/607087761.db2.gz APXZVRJOYOPVCW-ZDUSSCGKSA-N -1 3 398.515 2.963 20 30 GFEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H](C)CC#N)c1-c1nn[n-]n1 ZINC000822014875 607087762 /nfs/dbraw/zinc/08/77/62/607087762.db2.gz APXZVRJOYOPVCW-ZDUSSCGKSA-N -1 3 398.515 2.963 20 30 GFEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@@H](C)CC#N)c1-c1nnn[n-]1 ZINC000822015485 607087966 /nfs/dbraw/zinc/08/79/66/607087966.db2.gz KNBBZCCROWJFKM-LBPRGKRZSA-N -1 3 384.488 2.573 20 30 GFEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@@H](C)CC#N)c1-c1nn[n-]n1 ZINC000822015485 607087967 /nfs/dbraw/zinc/08/79/67/607087967.db2.gz KNBBZCCROWJFKM-LBPRGKRZSA-N -1 3 384.488 2.573 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cc(F)ccc1C#N ZINC000820005041 607118069 /nfs/dbraw/zinc/11/80/69/607118069.db2.gz JYFZAQCJSKIMRB-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(F)ccc1C#N ZINC000820005041 607118071 /nfs/dbraw/zinc/11/80/71/607118071.db2.gz JYFZAQCJSKIMRB-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM COc1ccccc1NC(=S)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000821898792 607145587 /nfs/dbraw/zinc/14/55/87/607145587.db2.gz RWCIYRUALXGXAJ-UHFFFAOYSA-N -1 3 392.448 2.677 20 30 GFEDHM COc1ccccc1NC(=S)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000821898792 607145588 /nfs/dbraw/zinc/14/55/88/607145588.db2.gz RWCIYRUALXGXAJ-UHFFFAOYSA-N -1 3 392.448 2.677 20 30 GFEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000821564049 607146784 /nfs/dbraw/zinc/14/67/84/607146784.db2.gz RDOZKWWGZGYCKC-UHFFFAOYSA-N -1 3 399.418 2.524 20 30 GFEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000821564049 607146786 /nfs/dbraw/zinc/14/67/86/607146786.db2.gz RDOZKWWGZGYCKC-UHFFFAOYSA-N -1 3 399.418 2.524 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000819743857 607215492 /nfs/dbraw/zinc/21/54/92/607215492.db2.gz RHYGSDAQXMVBST-KRWDZBQOSA-N -1 3 382.468 2.666 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000819743857 607215493 /nfs/dbraw/zinc/21/54/93/607215493.db2.gz RHYGSDAQXMVBST-KRWDZBQOSA-N -1 3 382.468 2.666 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822829839 607242843 /nfs/dbraw/zinc/24/28/43/607242843.db2.gz LMWAMHBNWSGEQI-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826511756 607883185 /nfs/dbraw/zinc/88/31/85/607883185.db2.gz CIODFLIDFIWHHS-UHFFFAOYSA-N -1 3 382.840 2.950 20 30 GFEDHM S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccccc1-c1nn[n-]n1 ZINC000826511756 607883186 /nfs/dbraw/zinc/88/31/86/607883186.db2.gz CIODFLIDFIWHHS-UHFFFAOYSA-N -1 3 382.840 2.950 20 30 GFEDHM N#Cc1ccc2c(c1)N(C(=O)CCCCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826386005 607953587 /nfs/dbraw/zinc/95/35/87/607953587.db2.gz LBPCDEYQMNKHNJ-UHFFFAOYSA-N -1 3 388.431 2.877 20 30 GFEDHM N#Cc1ccc2c(c1)N(C(=O)CCCCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826386005 607953588 /nfs/dbraw/zinc/95/35/88/607953588.db2.gz LBPCDEYQMNKHNJ-UHFFFAOYSA-N -1 3 388.431 2.877 20 30 GFEDHM N#CCc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000826382397 607978941 /nfs/dbraw/zinc/97/89/41/607978941.db2.gz CICAXVDWEKZWIY-UHFFFAOYSA-N -1 3 385.330 2.891 20 30 GFEDHM N#CCc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000826382397 607978942 /nfs/dbraw/zinc/97/89/42/607978942.db2.gz CICAXVDWEKZWIY-UHFFFAOYSA-N -1 3 385.330 2.891 20 30 GFEDHM C=C[C@H](CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882971 607980694 /nfs/dbraw/zinc/98/06/94/607980694.db2.gz HHKCAHQMIXZFCD-GFCCVEGCSA-N -1 3 383.433 2.770 20 30 GFEDHM C=C[C@H](CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882971 607980695 /nfs/dbraw/zinc/98/06/95/607980695.db2.gz HHKCAHQMIXZFCD-GFCCVEGCSA-N -1 3 383.433 2.770 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883299 607981107 /nfs/dbraw/zinc/98/11/07/607981107.db2.gz NVTKLSVHGBAIIT-IFXJQAMLSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883299 607981108 /nfs/dbraw/zinc/98/11/08/607981108.db2.gz NVTKLSVHGBAIIT-IFXJQAMLSA-N -1 3 392.415 2.984 20 30 GFEDHM N#Cc1ccc(OCCCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826386068 608071132 /nfs/dbraw/zinc/07/11/32/608071132.db2.gz NSUGVJXLSLWZKT-FQEVSTJZSA-N -1 3 390.447 2.581 20 30 GFEDHM C=CCOc1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823931865 608081449 /nfs/dbraw/zinc/08/14/49/608081449.db2.gz IFZWDMDBUJTTQS-IBGZPJMESA-N -1 3 391.431 2.645 20 30 GFEDHM C=CCOc1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823931865 608081450 /nfs/dbraw/zinc/08/14/50/608081450.db2.gz IFZWDMDBUJTTQS-IBGZPJMESA-N -1 3 391.431 2.645 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000823909608 608196287 /nfs/dbraw/zinc/19/62/87/608196287.db2.gz KXYZBFMZMJVPMJ-JXFKEZNVSA-N -1 3 391.475 2.854 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000823909608 608196289 /nfs/dbraw/zinc/19/62/89/608196289.db2.gz KXYZBFMZMJVPMJ-JXFKEZNVSA-N -1 3 391.475 2.854 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(O)(CC)CC1 ZINC000823909395 608273437 /nfs/dbraw/zinc/27/34/37/608273437.db2.gz BMORPJPTCLJOPK-UHFFFAOYSA-N -1 3 384.484 2.648 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(O)(CC)CC1 ZINC000823909395 608273439 /nfs/dbraw/zinc/27/34/39/608273439.db2.gz BMORPJPTCLJOPK-UHFFFAOYSA-N -1 3 384.484 2.648 20 30 GFEDHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825371202 608344670 /nfs/dbraw/zinc/34/46/70/608344670.db2.gz DPSNYFHKFWKBLF-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824046846 608465362 /nfs/dbraw/zinc/46/53/62/608465362.db2.gz WAUVDFASVKQUEG-OAHLLOKOSA-N -1 3 399.458 2.855 20 30 GFEDHM Cc1cc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)nn1CCC#N ZINC000826270769 608491450 /nfs/dbraw/zinc/49/14/50/608491450.db2.gz OIDUXGJSTPOLTM-UHFFFAOYSA-N -1 3 391.222 2.844 20 30 GFEDHM Cc1cc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)nn1CCC#N ZINC000826270769 608491451 /nfs/dbraw/zinc/49/14/51/608491451.db2.gz OIDUXGJSTPOLTM-UHFFFAOYSA-N -1 3 391.222 2.844 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cnn(Cc2ccccc2)c1 ZINC000823958633 608533737 /nfs/dbraw/zinc/53/37/37/608533737.db2.gz UCCWKWVEDOZTSG-UHFFFAOYSA-N -1 3 393.842 2.996 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cnn(Cc2ccccc2)c1 ZINC000823958633 608533739 /nfs/dbraw/zinc/53/37/39/608533739.db2.gz UCCWKWVEDOZTSG-UHFFFAOYSA-N -1 3 393.842 2.996 20 30 GFEDHM CCN(CC)c1ncc(C=[NH+][N-]c2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000825416938 608535595 /nfs/dbraw/zinc/53/55/95/608535595.db2.gz NLILRUKTTDXRJT-UHFFFAOYSA-N -1 3 377.865 2.664 20 30 GFEDHM CCN(CC)c1ncc(C=[NH+][N-]c2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000825416938 608535596 /nfs/dbraw/zinc/53/55/96/608535596.db2.gz NLILRUKTTDXRJT-UHFFFAOYSA-N -1 3 377.865 2.664 20 30 GFEDHM O=[N+]([O-])c1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1Cl ZINC000826497843 608539795 /nfs/dbraw/zinc/53/97/95/608539795.db2.gz WJDBHRGBWJFPNR-UHFFFAOYSA-N -1 3 379.167 2.923 20 30 GFEDHM C[C@H](C#N)Oc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824035193 608853718 /nfs/dbraw/zinc/85/37/18/608853718.db2.gz SZQIAGWBCWJGDE-QRWLVFNGSA-N -1 3 390.447 2.731 20 30 GFEDHM COc1cc(Cn2ccnc2C#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826179776 608892699 /nfs/dbraw/zinc/89/26/99/608892699.db2.gz DGARUVHPNIAALE-UHFFFAOYSA-N -1 3 387.403 2.571 20 30 GFEDHM COc1cc(Cn2ccnc2C#N)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826179776 608892703 /nfs/dbraw/zinc/89/27/03/608892703.db2.gz DGARUVHPNIAALE-UHFFFAOYSA-N -1 3 387.403 2.571 20 30 GFEDHM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825796340 609160123 /nfs/dbraw/zinc/16/01/23/609160123.db2.gz CQZGKRQSIREUKC-UHFFFAOYSA-N -1 3 392.398 2.572 20 30 GFEDHM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825796340 609160124 /nfs/dbraw/zinc/16/01/24/609160124.db2.gz CQZGKRQSIREUKC-UHFFFAOYSA-N -1 3 392.398 2.572 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823909354 609186202 /nfs/dbraw/zinc/18/62/02/609186202.db2.gz AHBUFQKOFPGXIF-OAHLLOKOSA-N -1 3 389.868 2.830 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823909354 609186204 /nfs/dbraw/zinc/18/62/04/609186204.db2.gz AHBUFQKOFPGXIF-OAHLLOKOSA-N -1 3 389.868 2.830 20 30 GFEDHM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823961912 609275704 /nfs/dbraw/zinc/27/57/04/609275704.db2.gz CAPWWTKDCWTZBX-UHFFFAOYSA-N -1 3 377.387 2.637 20 30 GFEDHM COc1cc(C#N)ccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826176859 609277453 /nfs/dbraw/zinc/27/74/53/609277453.db2.gz HPJSBQCQBSBVIO-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM Cn1cc(C=NNc2cnnc3ccccc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360715 609306469 /nfs/dbraw/zinc/30/64/69/609306469.db2.gz VEANWYONCICUJB-UHFFFAOYSA-N -1 3 396.418 2.656 20 30 GFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826332758 609309733 /nfs/dbraw/zinc/30/97/33/609309733.db2.gz GWEZAHNNKLQNGJ-KTKRTIGZSA-N -1 3 388.435 2.514 20 30 GFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826332758 609309734 /nfs/dbraw/zinc/30/97/34/609309734.db2.gz GWEZAHNNKLQNGJ-KTKRTIGZSA-N -1 3 388.435 2.514 20 30 GFEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823898794 609344232 /nfs/dbraw/zinc/34/42/32/609344232.db2.gz BOKFQTIDJVXWCV-JTQLQIEISA-N -1 3 381.230 2.654 20 30 GFEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823898794 609344234 /nfs/dbraw/zinc/34/42/34/609344234.db2.gz BOKFQTIDJVXWCV-JTQLQIEISA-N -1 3 381.230 2.654 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc([N+](=O)[O-])cc2Cl)nc1N ZINC000826383582 609447798 /nfs/dbraw/zinc/44/77/98/609447798.db2.gz HNRWDSVDDZBFML-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc([N+](=O)[O-])cc2Cl)nc1N ZINC000826383582 609447799 /nfs/dbraw/zinc/44/77/99/609447799.db2.gz HNRWDSVDDZBFML-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM S=C1N=NC(CSc2ccccc2)N1N=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826512223 609454856 /nfs/dbraw/zinc/45/48/56/609454856.db2.gz TXAMNGJXFBDVPS-UHFFFAOYSA-N -1 3 394.489 2.921 20 30 GFEDHM S=C1N=NC(CSc2ccccc2)N1N=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826512223 609454858 /nfs/dbraw/zinc/45/48/58/609454858.db2.gz TXAMNGJXFBDVPS-UHFFFAOYSA-N -1 3 394.489 2.921 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826257337 609522247 /nfs/dbraw/zinc/52/22/47/609522247.db2.gz YHBDJOOSTMZHPC-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826257337 609522248 /nfs/dbraw/zinc/52/22/48/609522248.db2.gz YHBDJOOSTMZHPC-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826258133 609571242 /nfs/dbraw/zinc/57/12/42/609571242.db2.gz AYVIECMDLPIGBH-CQSZACIVSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826258133 609571245 /nfs/dbraw/zinc/57/12/45/609571245.db2.gz AYVIECMDLPIGBH-CQSZACIVSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)nn1-c1cccc(C#N)c1 ZINC000826260195 609594134 /nfs/dbraw/zinc/59/41/34/609594134.db2.gz AJNYYAVCZUQAKH-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)nn1-c1cccc(C#N)c1 ZINC000826260195 609594135 /nfs/dbraw/zinc/59/41/35/609594135.db2.gz AJNYYAVCZUQAKH-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258198 609601645 /nfs/dbraw/zinc/60/16/45/609601645.db2.gz DHKSLOGNYFRPEO-RBZFPXEDSA-N -1 3 390.451 2.563 20 30 GFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258198 609601646 /nfs/dbraw/zinc/60/16/46/609601646.db2.gz DHKSLOGNYFRPEO-RBZFPXEDSA-N -1 3 390.451 2.563 20 30 GFEDHM C#CC[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC000823839123 609602438 /nfs/dbraw/zinc/60/24/38/609602438.db2.gz ZTAZHTKBXXGEPG-IBGZPJMESA-N -1 3 397.442 2.855 20 30 GFEDHM C#CC[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC000823839123 609602439 /nfs/dbraw/zinc/60/24/39/609602439.db2.gz ZTAZHTKBXXGEPG-IBGZPJMESA-N -1 3 397.442 2.855 20 30 GFEDHM Clc1cc2c(c(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c1)OCC2 ZINC000826350796 660453668 /nfs/dbraw/zinc/45/36/68/660453668.db2.gz LPEQZDXYDZSECV-UHFFFAOYSA-N -1 3 376.207 2.949 20 30 GFEDHM Clc1cc2c(c(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c1)OCC2 ZINC000826350796 660453671 /nfs/dbraw/zinc/45/36/71/660453671.db2.gz LPEQZDXYDZSECV-UHFFFAOYSA-N -1 3 376.207 2.949 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000831991820 660743393 /nfs/dbraw/zinc/74/33/93/660743393.db2.gz BUPFOMAMRIFXPS-ONGXEEELSA-N -1 3 391.262 2.957 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(C)CC2(Cl)Cl)ccc1F ZINC000836831702 660948653 /nfs/dbraw/zinc/94/86/53/660948653.db2.gz SYALZBIIFVDYEB-AWEZNQCLSA-N -1 3 395.283 2.604 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCC(F)(F)F)no2)ccc1F ZINC000273869675 655161716 /nfs/dbraw/zinc/16/17/16/655161716.db2.gz SSWLHWZZINCRKX-UHFFFAOYSA-N -1 3 379.335 2.835 20 30 GFEDHM COc1sc(C=N[N-]S(=O)(=O)Cc2ccccc2)cc1Br ZINC000746565352 655763951 /nfs/dbraw/zinc/76/39/51/655763951.db2.gz PAZCYHORDFTVEY-UHFFFAOYSA-N -1 3 389.296 2.973 20 30 GFEDHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2cccc(F)c2C#N)c1 ZINC000751014200 655820292 /nfs/dbraw/zinc/82/02/92/655820292.db2.gz PZJFKQBHMANPCV-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM O=S(=O)(c1ccc(NN=Cc2cccc(Cl)c2[O-])nc1)N1CCCC1 ZINC000753163617 655851186 /nfs/dbraw/zinc/85/11/86/655851186.db2.gz RFAJZAJPXJYEIQ-UHFFFAOYSA-N -1 3 380.857 2.671 20 30 GFEDHM [O-]c1c(O)cc(CN=Nc2nc(-c3ccncc3)no2)cc1Br ZINC000757573736 655913204 /nfs/dbraw/zinc/91/32/04/655913204.db2.gz DTZHJWBZJWIUIJ-UHFFFAOYSA-N -1 3 376.170 2.751 20 30 GFEDHM Cn1ncc2c1nc(N=NCc1c[nH]c3ccc(Br)cc13)[n-]c2=O ZINC000769816692 656292990 /nfs/dbraw/zinc/29/29/90/656292990.db2.gz GCCWBEHKIFONMZ-UHFFFAOYSA-N -1 3 386.213 2.759 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCO1 ZINC000773056835 656397936 /nfs/dbraw/zinc/39/79/36/656397936.db2.gz OJEOMVMTLYZAIE-VXGBXAGGSA-N -1 3 378.675 2.562 20 30 GFEDHM N#Cc1ccc([C@H](O)C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000780994970 657039481 /nfs/dbraw/zinc/03/94/81/657039481.db2.gz WWVVDTBFFUYCFF-AWEZNQCLSA-N -1 3 394.168 2.541 20 30 GFEDHM Cc1cc(Br)cc2c1C(N=Nc1nc3c(cnn3C)c(=O)[n-]1)CC2 ZINC000782229977 657117145 /nfs/dbraw/zinc/11/71/45/657117145.db2.gz DOGHPTQXKDWMDS-UHFFFAOYSA-N -1 3 387.241 2.902 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCO1 ZINC000800933942 659352870 /nfs/dbraw/zinc/35/28/70/659352870.db2.gz RANYQAWXAUMZKE-VXGBXAGGSA-N -1 3 378.675 2.562 20 30 GFEDHM COCc1nc(Cl)cc([N-]N=C2C(=O)Nc3cccc(Br)c32)n1 ZINC000814975312 660099430 /nfs/dbraw/zinc/09/94/30/660099430.db2.gz BSCDMTXJFXSCQN-UHFFFAOYSA-N -1 3 396.632 2.807 20 30 GFEDHM C=C[C@H](C)O[N-]C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000846554313 661556158 /nfs/dbraw/zinc/55/61/58/661556158.db2.gz KKAWMXAAUKAAEM-NSHDSACASA-N -1 3 376.272 2.625 20 30 GFEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000849426075 661722808 /nfs/dbraw/zinc/72/28/08/661722808.db2.gz HBTDSTWUPQXZCZ-AWEZNQCLSA-N -1 3 380.363 2.866 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCOCC1 ZINC000851826955 661835653 /nfs/dbraw/zinc/83/56/53/661835653.db2.gz CQUSGDKMDWAFTC-GFCCVEGCSA-N -1 3 392.702 2.809 20 30 GFEDHM C=CCOC[C@H](NCc1cn(-c2cccc(Br)c2)nc1C)C(=O)[O-] ZINC000901812063 663746772 /nfs/dbraw/zinc/74/67/72/663746772.db2.gz ZLPUOEAMPUUPRK-INIZCTEOSA-N -1 3 394.269 2.689 20 30 GFEDHM N#Cc1cc(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)cs1 ZINC000917233182 664478880 /nfs/dbraw/zinc/47/88/80/664478880.db2.gz CCPZLCOPUQYLSF-CYBMUJFWSA-N -1 3 382.429 2.929 20 30 GFEDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000917752114 664489719 /nfs/dbraw/zinc/48/97/19/664489719.db2.gz SKSZVWHFUYLJKH-UHFFFAOYSA-N -1 3 399.881 2.774 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1csc(Br)c1 ZINC000041989336 551137266 /nfs/dbraw/zinc/13/72/66/551137266.db2.gz ZMXMBIWGECINGG-UHFFFAOYSA-N -1 3 394.294 2.936 20 30 GFEDHM CCN(CCC#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000133468449 551383232 /nfs/dbraw/zinc/38/32/32/551383232.db2.gz WSQCUDHCJFHSQX-UHFFFAOYSA-N -1 3 383.520 2.664 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2nc(C)cs2)ccc1F ZINC000153091522 551446099 /nfs/dbraw/zinc/44/60/99/551446099.db2.gz HRCCBIVXQGVSMK-UHFFFAOYSA-N -1 3 383.470 2.722 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000156440213 551523117 /nfs/dbraw/zinc/52/31/17/551523117.db2.gz FHSHQDVLAHMPPO-UHFFFAOYSA-N -1 3 382.800 2.600 20 30 GFEDHM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)CC1 ZINC000160939095 551588214 /nfs/dbraw/zinc/58/82/14/551588214.db2.gz PUXTZIKVXKYJQF-UHFFFAOYSA-N -1 3 375.837 2.927 20 30 GFEDHM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000180277007 552220298 /nfs/dbraw/zinc/22/02/98/552220298.db2.gz JFPIEUQYAKXTDV-UHFFFAOYSA-N -1 3 378.837 2.519 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccc(F)c1 ZINC000186082120 552378779 /nfs/dbraw/zinc/37/87/79/552378779.db2.gz HZVZYSMSHFBDKV-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCc2sccc2C1 ZINC000186257816 552383238 /nfs/dbraw/zinc/38/32/38/552383238.db2.gz MQADXWDNQRJIIM-LBPRGKRZSA-N -1 3 395.937 2.998 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000425186755 563408697 /nfs/dbraw/zinc/40/86/97/563408697.db2.gz BYTZJJNCBHCGMP-DTWKUNHWSA-N -1 3 377.235 2.567 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC[C@@H]1O ZINC000330676716 563517506 /nfs/dbraw/zinc/51/75/06/563517506.db2.gz UMSMTABDYFBJLQ-LSDHHAIUSA-N -1 3 387.299 2.540 20 30 GFEDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)cn1 ZINC000295234335 563237658 /nfs/dbraw/zinc/23/76/58/563237658.db2.gz CVGVOXVYENBZBH-JTQLQIEISA-N -1 3 383.271 2.577 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000425181200 563408664 /nfs/dbraw/zinc/40/86/64/563408664.db2.gz VOAPFRLODWDDIA-ONGXEEELSA-N -1 3 380.691 2.972 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000310781948 563434999 /nfs/dbraw/zinc/43/49/99/563434999.db2.gz PAAMPBRDKGBLIN-INIZCTEOSA-N -1 3 375.881 2.764 20 30 GFEDHM Cc1ncc(NC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)s1 ZINC000328785373 563465486 /nfs/dbraw/zinc/46/54/86/563465486.db2.gz KMBGBRIUVLJAMN-UHFFFAOYSA-N -1 3 384.483 2.936 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)c(Cl)c1 ZINC000329251887 563476674 /nfs/dbraw/zinc/47/66/74/563476674.db2.gz BSECYMGZNADNGV-CYBMUJFWSA-N -1 3 386.926 2.935 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329291834 563477434 /nfs/dbraw/zinc/47/74/34/563477434.db2.gz RANTWXNWQFOOMY-HONMWMINSA-N -1 3 385.283 2.557 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC[C@H]1O ZINC000330676715 563517735 /nfs/dbraw/zinc/51/77/35/563517735.db2.gz UMSMTABDYFBJLQ-HUUCEWRRSA-N -1 3 387.299 2.540 20 30 GFEDHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(F)cc1OCC(F)(F)F)C(F)(F)F ZINC000288562827 563648127 /nfs/dbraw/zinc/64/81/27/563648127.db2.gz ZVDOAJWLSPLJAS-LURJTMIESA-N -1 3 376.228 2.772 20 30 GFEDHM Cc1nc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(Cl)cc1C#N ZINC000290992940 563728796 /nfs/dbraw/zinc/72/87/96/563728796.db2.gz RXXWQVDAXVDVAU-UHFFFAOYSA-N -1 3 396.925 2.924 20 30 GFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C#N)CC2(C)C)ccc1Cl ZINC000291395951 563741558 /nfs/dbraw/zinc/74/15/58/563741558.db2.gz HAVNEOLSNKUWTJ-QGZVFWFLSA-N -1 3 383.901 2.839 20 30 GFEDHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443020845 563787832 /nfs/dbraw/zinc/78/78/32/563787832.db2.gz SFBUMLZJWQBDCA-OAHLLOKOSA-N -1 3 377.897 2.663 20 30 GFEDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416407896 563823889 /nfs/dbraw/zinc/82/38/89/563823889.db2.gz MSUNDWYPYZJZPV-UHFFFAOYSA-N -1 3 397.298 2.584 20 30 GFEDHM O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(=O)NCC(F)F ZINC000444357091 563830156 /nfs/dbraw/zinc/83/01/56/563830156.db2.gz MQGFTXNNVPZOKL-VIFPVBQESA-N -1 3 378.219 2.806 20 30 GFEDHM C=CC[C@H]1N(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCCC1(C)C ZINC000445217585 563845522 /nfs/dbraw/zinc/84/55/22/563845522.db2.gz DGXJRWCOIKTKHE-CQSZACIVSA-N -1 3 385.555 2.803 20 30 GFEDHM C=CCCCNC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000448372880 563896524 /nfs/dbraw/zinc/89/65/24/563896524.db2.gz DVEFNBHDODERKQ-UHFFFAOYSA-N -1 3 382.507 2.735 20 30 GFEDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)c1C ZINC000563520171 564194595 /nfs/dbraw/zinc/19/45/95/564194595.db2.gz BETUUEBCQGOMHP-UHFFFAOYSA-N -1 3 397.298 2.633 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000508070178 564251762 /nfs/dbraw/zinc/25/17/62/564251762.db2.gz VFPNEUSAELDQNM-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@](C)(C#N)CCSC)c1 ZINC000508068128 564251793 /nfs/dbraw/zinc/25/17/93/564251793.db2.gz LURPYCLKMMJYJW-CYBMUJFWSA-N -1 3 393.328 2.771 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000508110478 564254596 /nfs/dbraw/zinc/25/45/96/564254596.db2.gz FAHRDFRFUZDGBD-LBPRGKRZSA-N -1 3 381.292 2.902 20 30 GFEDHM COCc1nc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n[n-]1 ZINC000474397148 564277325 /nfs/dbraw/zinc/27/73/25/564277325.db2.gz YRVUDSSGDNLUAT-NSHDSACASA-N -1 3 377.495 2.934 20 30 GFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCc2ccccc21 ZINC000475540641 564311386 /nfs/dbraw/zinc/31/13/86/564311386.db2.gz KBRSBNGLLQWMQY-ZDUSSCGKSA-N -1 3 375.881 2.941 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000475540208 564311464 /nfs/dbraw/zinc/31/14/64/564311464.db2.gz DGYBFTZONVRDFM-UHFFFAOYSA-N -1 3 381.244 2.991 20 30 GFEDHM C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000510642337 564341416 /nfs/dbraw/zinc/34/14/16/564341416.db2.gz AQNDJPJKHVEQNB-QHCPKHFHSA-N -1 3 382.894 2.569 20 30 GFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)c1 ZINC000568932157 564441630 /nfs/dbraw/zinc/44/16/30/564441630.db2.gz WWAXEFKVOVYNCT-UHFFFAOYSA-N -1 3 394.225 2.810 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3cc(F)c(Br)cc32)CCC1 ZINC000519730178 564588398 /nfs/dbraw/zinc/58/83/98/564588398.db2.gz TUJJVKXWAKQZOH-GFCCVEGCSA-N -1 3 389.246 2.635 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000520106595 564596994 /nfs/dbraw/zinc/59/69/94/564596994.db2.gz JVNVVSQLVLUJPL-OAHLLOKOSA-N -1 3 378.519 2.672 20 30 GFEDHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489268378 564734558 /nfs/dbraw/zinc/73/45/58/564734558.db2.gz UTQXDKAVOPQRRY-ZETCQYMHSA-N -1 3 399.284 2.970 20 30 GFEDHM CC(C)CSCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553872655 564742613 /nfs/dbraw/zinc/74/26/13/564742613.db2.gz QYDXANNNEXXULW-UHFFFAOYSA-N -1 3 377.329 2.988 20 30 GFEDHM C=CC[C@H](CC)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000554135386 564751379 /nfs/dbraw/zinc/75/13/79/564751379.db2.gz FSXZIZDIDFSIKD-NSHDSACASA-N -1 3 394.324 2.926 20 30 GFEDHM Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)sc1Br ZINC000556393977 564823604 /nfs/dbraw/zinc/82/36/04/564823604.db2.gz UYPXTQYXCCUVCQ-UHFFFAOYSA-N -1 3 399.291 2.852 20 30 GFEDHM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000582575620 564853059 /nfs/dbraw/zinc/85/30/59/564853059.db2.gz ZIWPHICEACIKDY-JTQLQIEISA-N -1 3 384.845 2.559 20 30 GFEDHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000462673828 564853593 /nfs/dbraw/zinc/85/35/93/564853593.db2.gz GJPGCYCYBHNWAC-SECBINFHSA-N -1 3 397.268 2.617 20 30 GFEDHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557786631 564876540 /nfs/dbraw/zinc/87/65/40/564876540.db2.gz PHXMNTYVBNGORN-LLVKDONJSA-N -1 3 380.267 2.625 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000557797707 564876996 /nfs/dbraw/zinc/87/69/96/564876996.db2.gz WOAAXHIMDPBXKT-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCc1ccccc1O ZINC000557819498 564877974 /nfs/dbraw/zinc/87/79/74/564877974.db2.gz HBNJORARXDMSIF-UHFFFAOYSA-N -1 3 381.251 2.547 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)cc1Br ZINC000501376690 564978154 /nfs/dbraw/zinc/97/81/54/564978154.db2.gz MZESOSQQRKBLAK-VXGBXAGGSA-N -1 3 395.225 2.759 20 30 GFEDHM COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C#N ZINC000562071083 565016770 /nfs/dbraw/zinc/01/67/70/565016770.db2.gz ZOUAJVHIVBCKCW-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@@H]1C1CC1 ZINC000562788257 565043305 /nfs/dbraw/zinc/04/33/05/565043305.db2.gz BYFTWYDFIKYIOD-CABCVRRESA-N -1 3 385.283 2.557 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000537350473 565057198 /nfs/dbraw/zinc/05/71/98/565057198.db2.gz OWSMRNPGULNOHO-OAHLLOKOSA-N -1 3 379.844 2.908 20 30 GFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000657148150 565078161 /nfs/dbraw/zinc/07/81/61/565078161.db2.gz SPHADWKLLIKXDR-AWEZNQCLSA-N -1 3 389.901 2.626 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000588118429 565126557 /nfs/dbraw/zinc/12/65/57/565126557.db2.gz DPTHJSPPUZLXCK-UHFFFAOYSA-N -1 3 387.299 2.542 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)NCc1cccs1 ZINC000592081270 565254010 /nfs/dbraw/zinc/25/40/10/565254010.db2.gz ZSDULELOPADLEW-CQSZACIVSA-N -1 3 397.909 2.646 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592384343 565273824 /nfs/dbraw/zinc/27/38/24/565273824.db2.gz SNVPEAQBZQMYEM-GFCCVEGCSA-N -1 3 386.779 2.836 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCCC2)c1 ZINC000593544201 565339596 /nfs/dbraw/zinc/33/95/96/565339596.db2.gz RQSAMBPNOMSAAI-UHFFFAOYSA-N -1 3 376.507 2.874 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCN(CC(F)F)C1 ZINC000594784023 565419981 /nfs/dbraw/zinc/41/99/81/565419981.db2.gz YZIDCJSNLUNQJS-LBPRGKRZSA-N -1 3 385.461 2.699 20 30 GFEDHM Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000594859181 565430443 /nfs/dbraw/zinc/43/04/43/565430443.db2.gz BSEAMNQUUXRENO-GOEBONIOSA-N -1 3 378.885 2.635 20 30 GFEDHM CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)[C@H](C)C#N ZINC000598357638 565610942 /nfs/dbraw/zinc/61/09/42/565610942.db2.gz CNNYYGAHWSLYHC-SECBINFHSA-N -1 3 395.200 2.507 20 30 GFEDHM CCN(C(=O)c1cnc2ccc(I)cc2c1[O-])[C@H](C)C#N ZINC000598357638 565610944 /nfs/dbraw/zinc/61/09/44/565610944.db2.gz CNNYYGAHWSLYHC-SECBINFHSA-N -1 3 395.200 2.507 20 30 GFEDHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cs1 ZINC000610471216 566083191 /nfs/dbraw/zinc/08/31/91/566083191.db2.gz VXWHMCUFLUPLKS-UHFFFAOYSA-N -1 3 390.412 2.578 20 30 GFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000611028985 566112059 /nfs/dbraw/zinc/11/20/59/566112059.db2.gz QRMHGEKONLBEJL-NSHDSACASA-N -1 3 389.271 2.596 20 30 GFEDHM Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)c3cccc(C#N)c3)cnc2c1Cl ZINC000611234054 566122942 /nfs/dbraw/zinc/12/29/42/566122942.db2.gz TUVLSEAMNXBTAU-JTQLQIEISA-N -1 3 375.841 2.602 20 30 GFEDHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)s1 ZINC000611278311 566124108 /nfs/dbraw/zinc/12/41/08/566124108.db2.gz POTBCOKRIDUVGH-CQSZACIVSA-N -1 3 385.555 2.669 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000657003122 566204476 /nfs/dbraw/zinc/20/44/76/566204476.db2.gz SNVMJNRZABEIGF-KGLIPLIRSA-N -1 3 378.263 2.741 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(CCC#N)CCC(C)C ZINC000737524597 598851804 /nfs/dbraw/zinc/85/18/04/598851804.db2.gz OBRCUXLFTDNMMV-UHFFFAOYSA-N -1 3 379.472 2.653 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(CCC#N)CCC(C)C ZINC000737524597 598851805 /nfs/dbraw/zinc/85/18/05/598851805.db2.gz OBRCUXLFTDNMMV-UHFFFAOYSA-N -1 3 379.472 2.653 20 30 GFEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039056 598887751 /nfs/dbraw/zinc/88/77/51/598887751.db2.gz ZHKHQQAAZKDZEE-CMUBDUJZSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039056 598887752 /nfs/dbraw/zinc/88/77/52/598887752.db2.gz ZHKHQQAAZKDZEE-CMUBDUJZSA-N -1 3 375.388 2.762 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735437697 598895315 /nfs/dbraw/zinc/89/53/15/598895315.db2.gz PAUKQJLDKDPFDF-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735437697 598895316 /nfs/dbraw/zinc/89/53/16/598895316.db2.gz PAUKQJLDKDPFDF-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)n1 ZINC000737257300 598913796 /nfs/dbraw/zinc/91/37/96/598913796.db2.gz VKARKDDWGGOALT-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)n1 ZINC000737257300 598913797 /nfs/dbraw/zinc/91/37/97/598913797.db2.gz VKARKDDWGGOALT-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM N#Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000737716554 598919069 /nfs/dbraw/zinc/91/90/69/598919069.db2.gz RVWWXIBXKZZUCL-UHFFFAOYSA-N -1 3 385.387 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000737716554 598919071 /nfs/dbraw/zinc/91/90/71/598919071.db2.gz RVWWXIBXKZZUCL-UHFFFAOYSA-N -1 3 385.387 2.965 20 30 GFEDHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737487244 598920040 /nfs/dbraw/zinc/92/00/40/598920040.db2.gz GUCKUMBVNFSOCO-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737487244 598920042 /nfs/dbraw/zinc/92/00/42/598920042.db2.gz GUCKUMBVNFSOCO-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM COc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1OC(F)F ZINC000737122062 598926439 /nfs/dbraw/zinc/92/64/39/598926439.db2.gz QQIQIRXNXXEMTP-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1OC(F)F ZINC000737122062 598926441 /nfs/dbraw/zinc/92/64/41/598926441.db2.gz QQIQIRXNXXEMTP-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735419196 598952166 /nfs/dbraw/zinc/95/21/66/598952166.db2.gz PYVJJAJRPVRBPK-UHFFFAOYSA-N -1 3 399.476 2.561 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735419196 598952168 /nfs/dbraw/zinc/95/21/68/598952168.db2.gz PYVJJAJRPVRBPK-UHFFFAOYSA-N -1 3 399.476 2.561 20 30 GFEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000735409013 599083796 /nfs/dbraw/zinc/08/37/96/599083796.db2.gz APYNPKZVAJTWKL-OAHLLOKOSA-N -1 3 390.856 2.511 20 30 GFEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000735409013 599083798 /nfs/dbraw/zinc/08/37/98/599083798.db2.gz APYNPKZVAJTWKL-OAHLLOKOSA-N -1 3 390.856 2.511 20 30 GFEDHM CSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000737192042 599193967 /nfs/dbraw/zinc/19/39/67/599193967.db2.gz GSPPPNUJFLIHMC-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM CSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000737192042 599193969 /nfs/dbraw/zinc/19/39/69/599193969.db2.gz GSPPPNUJFLIHMC-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM Cc1nc(SCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483273 599202353 /nfs/dbraw/zinc/20/23/53/599202353.db2.gz MYGZDMNECAWDPV-JEOXALJRSA-N -1 3 399.524 2.868 20 30 GFEDHM Cc1nc(SCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483273 599202355 /nfs/dbraw/zinc/20/23/55/599202355.db2.gz MYGZDMNECAWDPV-JEOXALJRSA-N -1 3 399.524 2.868 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ncc(C#N)cc1Cl ZINC000821105018 607262608 /nfs/dbraw/zinc/26/26/08/607262608.db2.gz VQUGHINSUBQXDP-UHFFFAOYSA-N -1 3 381.827 2.839 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ncc(C#N)cc1Cl ZINC000821105018 607262609 /nfs/dbraw/zinc/26/26/09/607262609.db2.gz VQUGHINSUBQXDP-UHFFFAOYSA-N -1 3 381.827 2.839 20 30 GFEDHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000739605945 596983595 /nfs/dbraw/zinc/98/35/95/596983595.db2.gz IZDUMPICDFURQN-UHFFFAOYSA-N -1 3 385.395 2.578 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736816595 599269360 /nfs/dbraw/zinc/26/93/60/599269360.db2.gz KPQSMMISOCPFEJ-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736816595 599269362 /nfs/dbraw/zinc/26/93/62/599269362.db2.gz KPQSMMISOCPFEJ-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736489028 599278828 /nfs/dbraw/zinc/27/88/28/599278828.db2.gz XPLIWDKTEXACOU-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM N#Cc1ccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000737711376 598249462 /nfs/dbraw/zinc/24/94/62/598249462.db2.gz IXUMUIZGVYCVFT-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(F)c1F ZINC000735426301 598269882 /nfs/dbraw/zinc/26/98/82/598269882.db2.gz PDUWDKGOXDDXGI-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(F)c1F ZINC000735426301 598269883 /nfs/dbraw/zinc/26/98/83/598269883.db2.gz PDUWDKGOXDDXGI-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(C#N)cc1F ZINC000735736758 598299460 /nfs/dbraw/zinc/29/94/60/598299460.db2.gz WCUXGZOWAJTORD-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(C#N)cc1F ZINC000735736758 598299462 /nfs/dbraw/zinc/29/94/62/598299462.db2.gz WCUXGZOWAJTORD-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM N#CCSc1ccccc1NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737698030 598603718 /nfs/dbraw/zinc/60/37/18/598603718.db2.gz RSQNWRAGQFHETR-UHFFFAOYSA-N -1 3 383.412 2.672 20 30 GFEDHM N#CCSc1ccccc1NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737698030 598603720 /nfs/dbraw/zinc/60/37/20/598603720.db2.gz RSQNWRAGQFHETR-UHFFFAOYSA-N -1 3 383.412 2.672 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000737718696 598620722 /nfs/dbraw/zinc/62/07/22/598620722.db2.gz ONYOEMXFBHULAS-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000737718696 598620723 /nfs/dbraw/zinc/62/07/23/598620723.db2.gz ONYOEMXFBHULAS-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737720061 598620759 /nfs/dbraw/zinc/62/07/59/598620759.db2.gz ZQWQQJYYOKYRLG-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737720061 598620760 /nfs/dbraw/zinc/62/07/60/598620760.db2.gz ZQWQQJYYOKYRLG-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM CC(C)(C)CN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735603375 598703279 /nfs/dbraw/zinc/70/32/79/598703279.db2.gz ZWZAQKSVMXLFOV-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM CC(C)(C)CN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735603375 598703280 /nfs/dbraw/zinc/70/32/80/598703280.db2.gz ZWZAQKSVMXLFOV-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735436044 598714635 /nfs/dbraw/zinc/71/46/35/598714635.db2.gz DDYIRYRWQKUYEF-AWEZNQCLSA-N -1 3 378.436 2.992 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735436044 598714637 /nfs/dbraw/zinc/71/46/37/598714637.db2.gz DDYIRYRWQKUYEF-AWEZNQCLSA-N -1 3 378.436 2.992 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)nc(NC)c1 ZINC000735419904 598719255 /nfs/dbraw/zinc/71/92/55/598719255.db2.gz JMEGRUUBVLOLTP-UHFFFAOYSA-N -1 3 383.843 2.785 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cl)nc(NC)c1 ZINC000735419904 598719257 /nfs/dbraw/zinc/71/92/57/598719257.db2.gz JMEGRUUBVLOLTP-UHFFFAOYSA-N -1 3 383.843 2.785 20 30 GFEDHM N#CCCCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737688835 598748790 /nfs/dbraw/zinc/74/87/90/598748790.db2.gz YPVINLYTYHDAFQ-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM N#CCCCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737688835 598748791 /nfs/dbraw/zinc/74/87/91/598748791.db2.gz YPVINLYTYHDAFQ-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM Cc1cccc(C)c1OCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737390215 598789172 /nfs/dbraw/zinc/78/91/72/598789172.db2.gz UDUCRGNGBAKHSQ-UHFFFAOYSA-N -1 3 381.465 2.894 20 30 GFEDHM Cc1cccc(C)c1OCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737390215 598789174 /nfs/dbraw/zinc/78/91/74/598789174.db2.gz UDUCRGNGBAKHSQ-UHFFFAOYSA-N -1 3 381.465 2.894 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CNc1ccccc1OC ZINC000735418170 598811673 /nfs/dbraw/zinc/81/16/73/598811673.db2.gz CRNBTFPRJWGVDB-UHFFFAOYSA-N -1 3 378.436 2.502 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CNc1ccccc1OC ZINC000735418170 598811674 /nfs/dbraw/zinc/81/16/74/598811674.db2.gz CRNBTFPRJWGVDB-UHFFFAOYSA-N -1 3 378.436 2.502 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CC(C)C)c1 ZINC000819745958 599296629 /nfs/dbraw/zinc/29/66/29/599296629.db2.gz WPZRPDGDCJYVOK-UHFFFAOYSA-N -1 3 380.456 2.939 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CC(C)C)c1 ZINC000819745958 599296631 /nfs/dbraw/zinc/29/66/31/599296631.db2.gz WPZRPDGDCJYVOK-UHFFFAOYSA-N -1 3 380.456 2.939 20 30 GFEDHM N#Cc1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1C(F)(F)F ZINC000737718963 599459498 /nfs/dbraw/zinc/45/94/98/599459498.db2.gz OBQKQJWCXJOVGS-UHFFFAOYSA-N -1 3 397.324 2.851 20 30 GFEDHM N#Cc1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C(F)(F)F ZINC000737718963 599459500 /nfs/dbraw/zinc/45/95/00/599459500.db2.gz OBQKQJWCXJOVGS-UHFFFAOYSA-N -1 3 397.324 2.851 20 30 GFEDHM Cc1cc(C(=O)NC2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c(C)o1 ZINC000832863404 601314142 /nfs/dbraw/zinc/31/41/42/601314142.db2.gz OMZOCJPFJYSEQY-IBGZPJMESA-N -1 3 381.432 2.788 20 30 GFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000833074146 601314831 /nfs/dbraw/zinc/31/48/31/601314831.db2.gz PYWYLWZLXJZYDA-QZTJIDSGSA-N -1 3 382.395 2.719 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3c(C)cc(F)cc32)cc1-c1nnn[n-]1 ZINC000826203507 607559440 /nfs/dbraw/zinc/55/94/40/607559440.db2.gz RRGKGSDPILUCOO-UHFFFAOYSA-N -1 3 389.394 2.777 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3c(C)cc(F)cc32)cc1-c1nn[n-]n1 ZINC000826203507 607559441 /nfs/dbraw/zinc/55/94/41/607559441.db2.gz RRGKGSDPILUCOO-UHFFFAOYSA-N -1 3 389.394 2.777 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000823909599 607674132 /nfs/dbraw/zinc/67/41/32/607674132.db2.gz KRJAKBQXAPLUJY-UHFFFAOYSA-N -1 3 392.419 2.841 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000823909599 607674134 /nfs/dbraw/zinc/67/41/34/607674134.db2.gz KRJAKBQXAPLUJY-UHFFFAOYSA-N -1 3 392.419 2.841 20 30 GFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000831064173 604222789 /nfs/dbraw/zinc/22/27/89/604222789.db2.gz CQCARIHQLUZAGH-UMNHJUIQSA-N -1 3 381.791 2.953 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1C#N ZINC000825545992 607759640 /nfs/dbraw/zinc/75/96/40/607759640.db2.gz ZUABHKGQVMXXNE-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1C#N ZINC000825545992 607759641 /nfs/dbraw/zinc/75/96/41/607759641.db2.gz ZUABHKGQVMXXNE-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM N#C[C@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000822802247 606169859 /nfs/dbraw/zinc/16/98/59/606169859.db2.gz YAGNQDNDOZXZIO-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000822802247 606169861 /nfs/dbraw/zinc/16/98/61/606169861.db2.gz YAGNQDNDOZXZIO-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821127288 606193076 /nfs/dbraw/zinc/19/30/76/606193076.db2.gz FTVWTDCWZIBBBL-UHFFFAOYSA-N -1 3 376.424 2.611 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1ccc(F)cc1C#N ZINC000821701108 606272586 /nfs/dbraw/zinc/27/25/86/606272586.db2.gz BJIUDNCFUNXWHW-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1ccc(F)cc1C#N ZINC000821701108 606272587 /nfs/dbraw/zinc/27/25/87/606272587.db2.gz BJIUDNCFUNXWHW-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000821620495 606301952 /nfs/dbraw/zinc/30/19/52/606301952.db2.gz LPOPLOWMYDFIGZ-VMUJYBKFSA-N -1 3 394.485 2.843 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000821620495 606301953 /nfs/dbraw/zinc/30/19/53/606301953.db2.gz LPOPLOWMYDFIGZ-VMUJYBKFSA-N -1 3 394.485 2.843 20 30 GFEDHM C[C@@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000820301366 606310442 /nfs/dbraw/zinc/31/04/42/606310442.db2.gz VWTYPOMGIYFVLO-NSHDSACASA-N -1 3 388.460 2.987 20 30 GFEDHM C[C@@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000820301366 606310443 /nfs/dbraw/zinc/31/04/43/606310443.db2.gz VWTYPOMGIYFVLO-NSHDSACASA-N -1 3 388.460 2.987 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822010229 606358862 /nfs/dbraw/zinc/35/88/62/606358862.db2.gz TZCGZRIRMGKONP-CYBMUJFWSA-N -1 3 392.419 2.693 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821440948 606390687 /nfs/dbraw/zinc/39/06/87/606390687.db2.gz FFFQMGASJNSDTA-VQHVLOKHSA-N -1 3 389.462 2.586 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821693060 606390727 /nfs/dbraw/zinc/39/07/27/606390727.db2.gz PLNIUJFTVKKMJN-GQCTYLIASA-N -1 3 386.433 2.858 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822801487 606445333 /nfs/dbraw/zinc/44/53/33/606445333.db2.gz JURCATSEUCHICV-RBUKOAKNSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822801487 606445334 /nfs/dbraw/zinc/44/53/34/606445334.db2.gz JURCATSEUCHICV-RBUKOAKNSA-N -1 3 388.431 2.544 20 30 GFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819899317 606640814 /nfs/dbraw/zinc/64/08/14/606640814.db2.gz RHJJEBKBXQUJFW-INIZCTEOSA-N -1 3 380.408 2.707 20 30 GFEDHM Cc1cc(C(=O)OCc2ccnc(C#N)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822183385 606651951 /nfs/dbraw/zinc/65/19/51/606651951.db2.gz GNHKYRYWLTUPKK-UHFFFAOYSA-N -1 3 399.414 2.898 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821640666 606931077 /nfs/dbraw/zinc/93/10/77/606931077.db2.gz MIKCKVROLMSVII-QWGHSUKYSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821640666 606931078 /nfs/dbraw/zinc/93/10/78/606931078.db2.gz MIKCKVROLMSVII-QWGHSUKYSA-N -1 3 378.388 2.703 20 30 GFEDHM N#CCc1ccnc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822815020 606945465 /nfs/dbraw/zinc/94/54/65/606945465.db2.gz MUKIPSFRHZZDJB-UHFFFAOYSA-N -1 3 377.408 2.516 20 30 GFEDHM N#CCc1ccnc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822815020 606945466 /nfs/dbraw/zinc/94/54/66/606945466.db2.gz MUKIPSFRHZZDJB-UHFFFAOYSA-N -1 3 377.408 2.516 20 30 GFEDHM N#Cc1ccc(SCC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822833900 606948252 /nfs/dbraw/zinc/94/82/52/606948252.db2.gz ZSYUDECHAQLBCC-UHFFFAOYSA-N -1 3 395.444 2.843 20 30 GFEDHM N#Cc1ccc(SCC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822833900 606948253 /nfs/dbraw/zinc/94/82/53/606948253.db2.gz ZSYUDECHAQLBCC-UHFFFAOYSA-N -1 3 395.444 2.843 20 30 GFEDHM N=C(NOC(=O)CCCSc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000822846242 607017420 /nfs/dbraw/zinc/01/74/20/607017420.db2.gz RHCONJRMJUCFQI-UHFFFAOYSA-N -1 3 388.478 2.664 20 30 GFEDHM N=C(NOC(=O)CCCSc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000822846242 607017421 /nfs/dbraw/zinc/01/74/21/607017421.db2.gz RHCONJRMJUCFQI-UHFFFAOYSA-N -1 3 388.478 2.664 20 30 GFEDHM S=C1N=NC(c2cccs2)N1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823737123 607147407 /nfs/dbraw/zinc/14/74/07/607147407.db2.gz AWJYXEKILRHHKB-UHFFFAOYSA-N -1 3 393.461 2.839 20 30 GFEDHM S=C1N=NC(c2cccs2)N1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823737123 607147409 /nfs/dbraw/zinc/14/74/09/607147409.db2.gz AWJYXEKILRHHKB-UHFFFAOYSA-N -1 3 393.461 2.839 20 30 GFEDHM C#CCOCCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000823850468 607894619 /nfs/dbraw/zinc/89/46/19/607894619.db2.gz OPHJFGQRZAHWSI-UHFFFAOYSA-N -1 3 393.422 2.887 20 30 GFEDHM C#CCOCCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000823850468 607894620 /nfs/dbraw/zinc/89/46/20/607894620.db2.gz OPHJFGQRZAHWSI-UHFFFAOYSA-N -1 3 393.422 2.887 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823855935 607905849 /nfs/dbraw/zinc/90/58/49/607905849.db2.gz FDBCPEHZCQHFCE-UHFFFAOYSA-N -1 3 381.367 2.777 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823855935 607905850 /nfs/dbraw/zinc/90/58/50/607905850.db2.gz FDBCPEHZCQHFCE-UHFFFAOYSA-N -1 3 381.367 2.777 20 30 GFEDHM C#CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838385 607938682 /nfs/dbraw/zinc/93/86/82/607938682.db2.gz OZZSIIDTAYNOLA-OAHLLOKOSA-N -1 3 387.852 2.563 20 30 GFEDHM N#Cc1cccc([C@H]2CN(CCCOc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386598 608072066 /nfs/dbraw/zinc/07/20/66/608072066.db2.gz LIHWROYQXLPIJP-HXUWFJFHSA-N -1 3 390.447 2.581 20 30 GFEDHM N#Cc1cccc([C@H]2CN(CCCOc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386598 608072067 /nfs/dbraw/zinc/07/20/67/608072067.db2.gz LIHWROYQXLPIJP-HXUWFJFHSA-N -1 3 390.447 2.581 20 30 GFEDHM N#Cc1cc(NC(=O)COc2ccccc2Br)ccc1-c1nnn[n-]1 ZINC000826384084 608158521 /nfs/dbraw/zinc/15/85/21/608158521.db2.gz GIFZNVXIKBXPHO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1cc(NC(=O)COc2ccccc2Br)ccc1-c1nn[n-]n1 ZINC000826384084 608158522 /nfs/dbraw/zinc/15/85/22/608158522.db2.gz GIFZNVXIKBXPHO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000825559957 608262096 /nfs/dbraw/zinc/26/20/96/608262096.db2.gz MAKGJWSWECVTPR-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000825559957 608262098 /nfs/dbraw/zinc/26/20/98/608262098.db2.gz MAKGJWSWECVTPR-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM C#CCCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000823841637 608262127 /nfs/dbraw/zinc/26/21/27/608262127.db2.gz REDJTPARCMYBBJ-UHFFFAOYSA-N -1 3 379.449 2.602 20 30 GFEDHM C#CCCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000823841637 608262129 /nfs/dbraw/zinc/26/21/29/608262129.db2.gz REDJTPARCMYBBJ-UHFFFAOYSA-N -1 3 379.449 2.602 20 30 GFEDHM C#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000823862129 608327122 /nfs/dbraw/zinc/32/71/22/608327122.db2.gz XVADMWIHHIRABB-UHFFFAOYSA-N -1 3 380.411 2.840 20 30 GFEDHM C#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000823862129 608327123 /nfs/dbraw/zinc/32/71/23/608327123.db2.gz XVADMWIHHIRABB-UHFFFAOYSA-N -1 3 380.411 2.840 20 30 GFEDHM C#CCSCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823862145 608352088 /nfs/dbraw/zinc/35/20/88/608352088.db2.gz YHWLWXVUWHUGGY-UHFFFAOYSA-N -1 3 392.488 2.699 20 30 GFEDHM C#CCSCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823862145 608352089 /nfs/dbraw/zinc/35/20/89/608352089.db2.gz YHWLWXVUWHUGGY-UHFFFAOYSA-N -1 3 392.488 2.699 20 30 GFEDHM N#Cc1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)nn1 ZINC000826385772 608402274 /nfs/dbraw/zinc/40/22/74/608402274.db2.gz ZVGDFUXZGWPHTB-UHFFFAOYSA-N -1 3 386.394 2.874 20 30 GFEDHM N#Cc1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)nn1 ZINC000826385772 608402276 /nfs/dbraw/zinc/40/22/76/608402276.db2.gz ZVGDFUXZGWPHTB-UHFFFAOYSA-N -1 3 386.394 2.874 20 30 GFEDHM CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)c(-c2nnn[n-]2)c1CC ZINC000825767027 608441489 /nfs/dbraw/zinc/44/14/89/608441489.db2.gz GGYSGDUIHIVCGA-UHFFFAOYSA-N -1 3 386.463 2.947 20 30 GFEDHM CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)c(-c2nn[n-]n2)c1CC ZINC000825767027 608441490 /nfs/dbraw/zinc/44/14/90/608441490.db2.gz GGYSGDUIHIVCGA-UHFFFAOYSA-N -1 3 386.463 2.947 20 30 GFEDHM N#Cc1cnc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(Cl)c1 ZINC000826387926 608480282 /nfs/dbraw/zinc/48/02/82/608480282.db2.gz ZOHWTDXEIDQZCH-UHFFFAOYSA-N -1 3 391.822 2.716 20 30 GFEDHM N#Cc1cnc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)c1 ZINC000826387926 608480284 /nfs/dbraw/zinc/48/02/84/608480284.db2.gz ZOHWTDXEIDQZCH-UHFFFAOYSA-N -1 3 391.822 2.716 20 30 GFEDHM CN(CCC#N)c1ccc(C=[NH+][N-]c2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825914516 608537533 /nfs/dbraw/zinc/53/75/33/608537533.db2.gz IIKCEPKFKGYEAW-UHFFFAOYSA-N -1 3 381.831 2.711 20 30 GFEDHM CN(CCC#N)c1ccc(C=[NH+][N-]c2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825914516 608537535 /nfs/dbraw/zinc/53/75/35/608537535.db2.gz IIKCEPKFKGYEAW-UHFFFAOYSA-N -1 3 381.831 2.711 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(Oc3cnccn3)cc2)n1 ZINC000826350430 608539378 /nfs/dbraw/zinc/53/93/78/608539378.db2.gz VUKRHMACIGYTHA-UHFFFAOYSA-N -1 3 393.798 2.943 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(Oc3cnccn3)cc2)n1 ZINC000826350430 608539380 /nfs/dbraw/zinc/53/93/80/608539380.db2.gz VUKRHMACIGYTHA-UHFFFAOYSA-N -1 3 393.798 2.943 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1[N+](=O)[O-] ZINC000826178627 608879396 /nfs/dbraw/zinc/87/93/96/608879396.db2.gz FTWJIYPEQXRBMT-SOFGYWHQSA-N -1 3 394.391 2.736 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1[N+](=O)[O-] ZINC000826178627 608879398 /nfs/dbraw/zinc/87/93/98/608879398.db2.gz FTWJIYPEQXRBMT-SOFGYWHQSA-N -1 3 394.391 2.736 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826380321 609141585 /nfs/dbraw/zinc/14/15/85/609141585.db2.gz VLIQVZWWYFPRPL-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826380321 609141587 /nfs/dbraw/zinc/14/15/87/609141587.db2.gz VLIQVZWWYFPRPL-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000825390310 609270061 /nfs/dbraw/zinc/27/00/61/609270061.db2.gz DISZHWREZTULAC-FNORWQNLSA-N -1 3 386.412 2.731 20 30 GFEDHM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000825390310 609270063 /nfs/dbraw/zinc/27/00/63/609270063.db2.gz DISZHWREZTULAC-FNORWQNLSA-N -1 3 386.412 2.731 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1OC ZINC000826191146 609271621 /nfs/dbraw/zinc/27/16/21/609271621.db2.gz YEJBTSBSCYSQPI-VMPITWQZSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1OC ZINC000826191146 609271623 /nfs/dbraw/zinc/27/16/23/609271623.db2.gz YEJBTSBSCYSQPI-VMPITWQZSA-N -1 3 384.367 2.928 20 30 GFEDHM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399736 609272491 /nfs/dbraw/zinc/27/24/91/609272491.db2.gz DRGAYNJRFYOVBA-QHHAFSJGSA-N -1 3 379.330 2.622 20 30 GFEDHM O=C(C=Cc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399736 609272493 /nfs/dbraw/zinc/27/24/93/609272493.db2.gz DRGAYNJRFYOVBA-QHHAFSJGSA-N -1 3 379.330 2.622 20 30 GFEDHM C=CCOCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823925594 609345790 /nfs/dbraw/zinc/34/57/90/609345790.db2.gz MPNQTWRRYBNTGI-UHFFFAOYSA-N -1 3 381.230 2.655 20 30 GFEDHM C=CCOCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823925594 609345791 /nfs/dbraw/zinc/34/57/91/609345791.db2.gz MPNQTWRRYBNTGI-UHFFFAOYSA-N -1 3 381.230 2.655 20 30 GFEDHM CC(C)OCCNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824315734 609416459 /nfs/dbraw/zinc/41/64/59/609416459.db2.gz WQSNGJAYMOEINY-UHFFFAOYSA-N -1 3 380.452 2.794 20 30 GFEDHM CC(C)OCCNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824315734 609416460 /nfs/dbraw/zinc/41/64/60/609416460.db2.gz WQSNGJAYMOEINY-UHFFFAOYSA-N -1 3 380.452 2.794 20 30 GFEDHM CCOc1ccc(C=NOCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825639468 609466592 /nfs/dbraw/zinc/46/65/92/609466592.db2.gz WVRMWHCWJHVGAH-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM CCOc1ccc(C=NOCCOc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825639468 609466595 /nfs/dbraw/zinc/46/65/95/609466595.db2.gz WVRMWHCWJHVGAH-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823919683 609533388 /nfs/dbraw/zinc/53/33/88/609533388.db2.gz MWKLWFKDAUWCPY-UHFFFAOYSA-N -1 3 375.841 2.901 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823919683 609533391 /nfs/dbraw/zinc/53/33/91/609533391.db2.gz MWKLWFKDAUWCPY-UHFFFAOYSA-N -1 3 375.841 2.901 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H](Nc3c(F)cc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826385193 609574788 /nfs/dbraw/zinc/57/47/88/609574788.db2.gz AWSDIVDTJBFTJE-MRXNPFEDSA-N -1 3 395.373 2.624 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H](Nc3c(F)cc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000826385193 609574790 /nfs/dbraw/zinc/57/47/90/609574790.db2.gz AWSDIVDTJBFTJE-MRXNPFEDSA-N -1 3 395.373 2.624 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)nn1-c1cccc(C#N)c1 ZINC000826253874 609598019 /nfs/dbraw/zinc/59/80/19/609598019.db2.gz JBQOBLYOUREMKV-UHFFFAOYSA-N -1 3 399.414 2.898 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)nn1-c1cccc(C#N)c1 ZINC000826253874 609598022 /nfs/dbraw/zinc/59/80/22/609598022.db2.gz JBQOBLYOUREMKV-UHFFFAOYSA-N -1 3 399.414 2.898 20 30 GFEDHM Cc1cc(C(=O)OCc2ccccc2C#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261382 609625955 /nfs/dbraw/zinc/62/59/55/609625955.db2.gz CKAFJQBHTMBZBL-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM Cc1cc(C(=O)OCc2ccccc2C#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261382 609625956 /nfs/dbraw/zinc/62/59/56/609625956.db2.gz CKAFJQBHTMBZBL-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM Cc1oc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1S(N)(=O)=O ZINC000268206391 654963173 /nfs/dbraw/zinc/96/31/73/654963173.db2.gz ZHIIJQSJQACYJF-JTQLQIEISA-N -1 3 379.463 2.882 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271301763 655075336 /nfs/dbraw/zinc/07/53/36/655075336.db2.gz IPMMXWWPZYKXEM-VIFPVBQESA-N -1 3 395.200 2.777 20 30 GFEDHM C#CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000173786511 655181195 /nfs/dbraw/zinc/18/11/95/655181195.db2.gz RWNDNWKVZVRAHT-UHFFFAOYSA-N -1 3 394.674 2.581 20 30 GFEDHM C=CCCS(=O)(=O)[N-]C[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000751289719 655824786 /nfs/dbraw/zinc/82/47/86/655824786.db2.gz BIHVCZQXUMVGPF-GFCCVEGCSA-N -1 3 391.333 2.951 20 30 GFEDHM N#Cc1cnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)s1 ZINC000759631905 655959599 /nfs/dbraw/zinc/95/95/99/655959599.db2.gz BLPNEMLAUOESON-UHFFFAOYSA-N -1 3 382.492 2.503 20 30 GFEDHM CC#CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000772936078 656394306 /nfs/dbraw/zinc/39/43/06/656394306.db2.gz MKXPGCYCUQVZQP-UHFFFAOYSA-N -1 3 394.674 2.581 20 30 GFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc2ncc(Br)cc2c1 ZINC000781450190 657057657 /nfs/dbraw/zinc/05/76/57/657057657.db2.gz COQKEUADKLMCER-CYBMUJFWSA-N -1 3 396.204 2.748 20 30 GFEDHM C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C#N)c1 ZINC000783341414 657224277 /nfs/dbraw/zinc/22/42/77/657224277.db2.gz NELWQQYDPVHVGU-JTQLQIEISA-N -1 3 384.866 2.856 20 30 GFEDHM C[C@H](CC(=O)OCc1sccc1Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000786555390 657439809 /nfs/dbraw/zinc/43/98/09/657439809.db2.gz ZGIXMCYTJTUBOW-SNVBAGLBSA-N -1 3 398.893 2.962 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(Cl)cc1F ZINC000796088144 658888423 /nfs/dbraw/zinc/88/84/23/658888423.db2.gz XIAZIYOISRDHKC-CYBMUJFWSA-N -1 3 387.841 2.980 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC2(CC#N)CC2)cc(C(F)(F)F)c1 ZINC000796733813 658935853 /nfs/dbraw/zinc/93/58/53/658935853.db2.gz PVXBZRNVUFFSMQ-UHFFFAOYSA-N -1 3 376.356 2.928 20 30 GFEDHM C#C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000807880777 659869447 /nfs/dbraw/zinc/86/94/47/659869447.db2.gz RKFAWCFVMJPUHJ-CYBMUJFWSA-N -1 3 391.320 2.826 20 30 GFEDHM C#C[C@H](NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000807880778 659869618 /nfs/dbraw/zinc/86/96/18/659869618.db2.gz RKFAWCFVMJPUHJ-ZDUSSCGKSA-N -1 3 391.320 2.826 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC000845965703 661510095 /nfs/dbraw/zinc/51/00/95/661510095.db2.gz PLDBAGXWPUWTQJ-UHFFFAOYSA-N -1 3 388.243 2.720 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000848135351 661627286 /nfs/dbraw/zinc/62/72/86/661627286.db2.gz CBJZKSPPCUDBAJ-JTQLQIEISA-N -1 3 381.148 2.578 20 30 GFEDHM O=C(CCCSc1ccc(Br)cc1)N[C@H]1CCCN([O-])C1=O ZINC000848139126 661627521 /nfs/dbraw/zinc/62/75/21/661627521.db2.gz ROKIYJKIJAEZIZ-ZDUSSCGKSA-N -1 3 387.299 2.818 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C1CCOCC1 ZINC000851829910 661836202 /nfs/dbraw/zinc/83/62/02/661836202.db2.gz SPLSKQVKGVBHIJ-LBPRGKRZSA-N -1 3 378.313 2.526 20 30 GFEDHM C#CCCCC[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000866955527 662511379 /nfs/dbraw/zinc/51/13/79/662511379.db2.gz WCCVOCJCIYRURT-HXUWFJFHSA-N -1 3 393.328 2.544 20 30 GFEDHM COc1c(Br)cc(Cl)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878632416 662901173 /nfs/dbraw/zinc/90/11/73/662901173.db2.gz KMRYHXNKNVLZNL-SECBINFHSA-N -1 3 392.637 2.613 20 30 GFEDHM C#CCC1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCOCC1 ZINC000885841041 663098968 /nfs/dbraw/zinc/09/89/68/663098968.db2.gz XAMPTWJKODYTDU-UHFFFAOYSA-N -1 3 392.702 2.953 20 30 GFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907299904 664021244 /nfs/dbraw/zinc/02/12/44/664021244.db2.gz JGLIVVDZSFSKND-UHFFFAOYSA-N -1 3 393.278 2.568 20 30 GFEDHM C[C@H](C(=O)[N-]CC(F)(F)F)[S@](=O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000912939753 664310870 /nfs/dbraw/zinc/31/08/70/664310870.db2.gz QHBDFYHXMRNIRP-HIUNMPHZSA-N -1 3 383.260 2.698 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2cccs2)ccc1F ZINC000914742804 664415214 /nfs/dbraw/zinc/41/52/14/664415214.db2.gz NCILGYMPGJPJTO-LBPRGKRZSA-N -1 3 382.482 2.713 20 30 GFEDHM CCNc1nc(N=NCc2ccc([O-])c(Br)c2)nc(NCC)n1 ZINC000916305810 664456607 /nfs/dbraw/zinc/45/66/07/664456607.db2.gz VQUYJELFENGUPD-UHFFFAOYSA-N -1 3 380.250 2.649 20 30 GFEDHM C#CCOC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000917954425 664493311 /nfs/dbraw/zinc/49/33/11/664493311.db2.gz RDKNMYUOQKWJCV-GFCCVEGCSA-N -1 3 396.317 2.570 20 30 GFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccs1 ZINC000056011537 551176021 /nfs/dbraw/zinc/17/60/21/551176021.db2.gz QUGYHQLMQALEBY-CYBMUJFWSA-N -1 3 384.866 2.856 20 30 GFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCCC#N)c(Br)c1 ZINC000171714024 551661326 /nfs/dbraw/zinc/66/13/26/551661326.db2.gz ITSWQUGZJCOPGM-UHFFFAOYSA-N -1 3 389.271 2.598 20 30 GFEDHM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1Br ZINC000179977510 552208621 /nfs/dbraw/zinc/20/86/21/552208621.db2.gz ZGNHGKSWSZIYRV-NSHDSACASA-N -1 3 379.235 2.738 20 30 GFEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cc([O-])ccc1Br ZINC000180589478 552230667 /nfs/dbraw/zinc/23/06/67/552230667.db2.gz OYMIMNWQABQGCF-GFCCVEGCSA-N -1 3 388.269 2.527 20 30 GFEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cc(Br)ccc1[O-] ZINC000180584985 552230751 /nfs/dbraw/zinc/23/07/51/552230751.db2.gz VCTGODAZNAFOOX-GFCCVEGCSA-N -1 3 388.269 2.527 20 30 GFEDHM CC[C@H](CC#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000183864831 552321045 /nfs/dbraw/zinc/32/10/45/552321045.db2.gz SAZNLCPTUAHQCG-SNVBAGLBSA-N -1 3 395.200 2.555 20 30 GFEDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC ZINC000416485494 563837079 /nfs/dbraw/zinc/83/70/79/563837079.db2.gz BGWZTPQOAWNMRO-GXFFZTMASA-N -1 3 375.288 2.660 20 30 GFEDHM Cc1nc([C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c2ccc(Cl)cc2)no1 ZINC000295124375 563230356 /nfs/dbraw/zinc/23/03/56/563230356.db2.gz JCOOSUZGKIVWHD-AWEZNQCLSA-N -1 3 382.873 2.980 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000375371965 563401753 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N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000329291837 563477509 /nfs/dbraw/zinc/47/75/09/563477509.db2.gz RANTWXNWQFOOMY-LERXQTSPSA-N -1 3 385.283 2.557 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(F)c1 ZINC000429912593 563528662 /nfs/dbraw/zinc/52/86/62/563528662.db2.gz XHKMUNKZKOQVBD-UHFFFAOYSA-N -1 3 376.306 2.873 20 30 GFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409491464 563562576 /nfs/dbraw/zinc/56/25/76/563562576.db2.gz PSOQTOUBNMTGMU-ZDUSSCGKSA-N -1 3 390.408 2.959 20 30 GFEDHM C=CCC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000432305140 563580372 /nfs/dbraw/zinc/58/03/72/563580372.db2.gz ABJXNNVQTAACRJ-UHFFFAOYSA-N -1 3 392.518 2.856 20 30 GFEDHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000410325473 563586949 /nfs/dbraw/zinc/58/69/49/563586949.db2.gz JFCBBMXSVNMLLU-LLVKDONJSA-N -1 3 390.305 2.823 20 30 GFEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435425947 563649519 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CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416412815 563825203 /nfs/dbraw/zinc/82/52/03/563825203.db2.gz DNTORCUFNSMIAB-LBPRGKRZSA-N -1 3 389.315 2.644 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000367185856 563834300 /nfs/dbraw/zinc/83/43/00/563834300.db2.gz KGCCGIWBWQKQEP-ZDUSSCGKSA-N -1 3 381.548 2.872 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471761161 564204114 /nfs/dbraw/zinc/20/41/14/564204114.db2.gz OCDIGCMGQYGAOR-JTQLQIEISA-N -1 3 377.388 2.699 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000508068961 564251839 /nfs/dbraw/zinc/25/18/39/564251839.db2.gz PBHFXIFXHNIONF-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM O=C(CC(=O)NCC(F)(F)F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000541462266 564279538 /nfs/dbraw/zinc/27/95/38/564279538.db2.gz ZIHMPRCSLMUSFY-NSHDSACASA-N -1 3 378.219 2.753 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000475545710 564311789 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N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCOCC2)s1 ZINC000516666254 564508819 /nfs/dbraw/zinc/50/88/19/564508819.db2.gz NJLXVLOJBSIOSP-UHFFFAOYSA-N -1 3 380.466 2.829 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3cc(F)c(Br)cc32)CCC1 ZINC000519730191 564588983 /nfs/dbraw/zinc/58/89/83/564588983.db2.gz TUJJVKXWAKQZOH-LBPRGKRZSA-N -1 3 389.246 2.635 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000553517073 564724415 /nfs/dbraw/zinc/72/44/15/564724415.db2.gz HQYYVJBKQVHIOM-ZDUSSCGKSA-N -1 3 397.225 2.872 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000553577148 564728653 /nfs/dbraw/zinc/72/86/53/564728653.db2.gz XQDGRVCZVKBKSJ-SNVBAGLBSA-N -1 3 375.313 2.742 20 30 GFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccnc1 ZINC000555371259 564791452 /nfs/dbraw/zinc/79/14/52/564791452.db2.gz VSLSIZVKSNYWBY-MRXNPFEDSA-N -1 3 379.869 2.645 20 30 GFEDHM C=CCCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000461468733 564798713 /nfs/dbraw/zinc/79/87/13/564798713.db2.gz DKXCLXGWUPLQMM-SNVBAGLBSA-N -1 3 390.864 2.840 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)S(=O)(=O)N3C)n1 ZINC000528906512 564808946 /nfs/dbraw/zinc/80/89/46/564808946.db2.gz FDTPXFAAMGFUDX-GFCCVEGCSA-N -1 3 375.475 2.956 20 30 GFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493978678 564814583 /nfs/dbraw/zinc/81/45/83/564814583.db2.gz UDUMTBAPMJZLPL-QMMMGPOBSA-N -1 3 393.259 2.917 20 30 GFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000462418589 564838138 /nfs/dbraw/zinc/83/81/38/564838138.db2.gz PYLQANZIVBIMRK-UHFFFAOYSA-N -1 3 399.241 2.817 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)c(F)c1 ZINC000531428510 564909888 /nfs/dbraw/zinc/90/98/88/564909888.db2.gz BQRGQHIWJUSFJG-AWEZNQCLSA-N -1 3 379.844 2.908 20 30 GFEDHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cc2oc1=O ZINC000466971030 564951796 /nfs/dbraw/zinc/95/17/96/564951796.db2.gz LESWBRYNFOCQHS-UHFFFAOYSA-N -1 3 377.809 2.940 20 30 GFEDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)s1 ZINC000561885812 565012047 /nfs/dbraw/zinc/01/20/47/565012047.db2.gz HTGTWBJRQSKUMR-UHFFFAOYSA-N -1 3 390.259 2.703 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCc1cccc(Br)c1 ZINC000617469844 565241586 /nfs/dbraw/zinc/24/15/86/565241586.db2.gz ISDQMXWDQFPZFT-UHFFFAOYSA-N -1 3 380.267 2.627 20 30 GFEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000660143537 565258435 /nfs/dbraw/zinc/25/84/35/565258435.db2.gz UMYHOOMERNYUPC-UHFFFAOYSA-N -1 3 392.518 2.999 20 30 GFEDHM C=C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)OC ZINC000619689072 565355481 /nfs/dbraw/zinc/35/54/81/565355481.db2.gz YQVCILUOVFHQHJ-GFCCVEGCSA-N -1 3 376.825 2.994 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)cc1F ZINC000619752813 565358660 /nfs/dbraw/zinc/35/86/60/565358660.db2.gz ZQBLSHFUUWOXER-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)CO[C@H]1CCOC1 ZINC000594763746 565416476 /nfs/dbraw/zinc/41/64/76/565416476.db2.gz ZXNTUZVFSMBTQR-FZMZJTMJSA-N -1 3 380.491 2.554 20 30 GFEDHM C[C@@]1(C#N)CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000598414761 565615226 /nfs/dbraw/zinc/61/52/26/565615226.db2.gz FUASUTNREYDJID-INIZCTEOSA-N -1 3 395.531 2.664 20 30 GFEDHM C=CCCCN(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000609914057 566058651 /nfs/dbraw/zinc/05/86/51/566058651.db2.gz WRQWWWDVSCWKPO-HNNXBMFYSA-N -1 3 388.530 2.650 20 30 GFEDHM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000657037344 566211014 /nfs/dbraw/zinc/21/10/14/566211014.db2.gz XTCSSDQFTGQXRB-SWLSCSKDSA-N -1 3 390.502 2.610 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000736309322 598866496 /nfs/dbraw/zinc/86/64/96/598866496.db2.gz NUEJUEKFTXDVEB-DVQDXYAYSA-N -1 3 388.431 2.877 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000736309322 598866498 /nfs/dbraw/zinc/86/64/98/598866498.db2.gz NUEJUEKFTXDVEB-DVQDXYAYSA-N -1 3 388.431 2.877 20 30 GFEDHM CC(C)c1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000735921147 598914978 /nfs/dbraw/zinc/91/49/78/598914978.db2.gz LUHHBOOPKKXELK-UHFFFAOYSA-N -1 3 399.418 2.695 20 30 GFEDHM CC(C)c1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000735921147 598914980 /nfs/dbraw/zinc/91/49/80/598914980.db2.gz LUHHBOOPKKXELK-UHFFFAOYSA-N -1 3 399.418 2.695 20 30 GFEDHM CCOc1ccc(SCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736650117 598918054 /nfs/dbraw/zinc/91/80/54/598918054.db2.gz ANGWCJXKVBEUOS-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM CCOc1ccc(SCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736650117 598918056 /nfs/dbraw/zinc/91/80/56/598918056.db2.gz ANGWCJXKVBEUOS-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM Cc1nc2cc(F)cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2nc1C ZINC000737488272 598918439 /nfs/dbraw/zinc/91/84/39/598918439.db2.gz NJUZMWOFUULTRT-UHFFFAOYSA-N -1 3 388.366 2.690 20 30 GFEDHM Cc1nc2cc(F)cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2nc1C ZINC000737488272 598918441 /nfs/dbraw/zinc/91/84/41/598918441.db2.gz NJUZMWOFUULTRT-UHFFFAOYSA-N -1 3 388.366 2.690 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736235048 598920696 /nfs/dbraw/zinc/92/06/96/598920696.db2.gz LRNQLJIHVOKIEL-MEDUHNTESA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000736235048 598920698 /nfs/dbraw/zinc/92/06/98/598920698.db2.gz LRNQLJIHVOKIEL-MEDUHNTESA-N -1 3 387.403 2.585 20 30 GFEDHM Cc1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)sc2nc(C)nc(C)c12 ZINC000822431684 607254437 /nfs/dbraw/zinc/25/44/37/607254437.db2.gz GDZVCGJLMARXQP-UHFFFAOYSA-N -1 3 378.465 2.920 20 30 GFEDHM Cc1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)sc2nc(C)nc(C)c12 ZINC000822431684 607254438 /nfs/dbraw/zinc/25/44/38/607254438.db2.gz GDZVCGJLMARXQP-UHFFFAOYSA-N -1 3 378.465 2.920 20 30 GFEDHM CCN(CCC#N)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736534227 598963986 /nfs/dbraw/zinc/96/39/86/598963986.db2.gz IJHLFVXQQVOYPW-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM CCN(CCC#N)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736534227 598963987 /nfs/dbraw/zinc/96/39/87/598963987.db2.gz IJHLFVXQQVOYPW-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505805 599023206 /nfs/dbraw/zinc/02/32/06/599023206.db2.gz TVQGSRQPHCBTBU-AWEZNQCLSA-N -1 3 376.420 2.677 20 30 GFEDHM CCN(CCC#N)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736534219 599109235 /nfs/dbraw/zinc/10/92/35/599109235.db2.gz IFUJQNUMSQHJJC-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2c(C)cccc2C)cc1-c1nnn[n-]1 ZINC000737080961 599125389 /nfs/dbraw/zinc/12/53/89/599125389.db2.gz JOUJYEFNIZEISV-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2c(C)cccc2C)cc1-c1nn[n-]n1 ZINC000737080961 599125391 /nfs/dbraw/zinc/12/53/91/599125391.db2.gz JOUJYEFNIZEISV-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnc3ccccn23)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202439 599157330 /nfs/dbraw/zinc/15/73/30/599157330.db2.gz MLYQIMOGYVHQTH-MDZDMXLPSA-N -1 3 396.414 2.905 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1-c1nnn[n-]1 ZINC000737717975 599199103 /nfs/dbraw/zinc/19/91/03/599199103.db2.gz CROSVJVHMKXINN-UHFFFAOYSA-N -1 3 378.154 2.832 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1-c1nn[n-]n1 ZINC000737717975 599199105 /nfs/dbraw/zinc/19/91/05/599199105.db2.gz CROSVJVHMKXINN-UHFFFAOYSA-N -1 3 378.154 2.832 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2c(n1)onc2C(C)C ZINC000737236946 599199529 /nfs/dbraw/zinc/19/95/29/599199529.db2.gz VJCGGHIKOLQBAR-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2c(n1)onc2C(C)C ZINC000737236946 599199531 /nfs/dbraw/zinc/19/95/31/599199531.db2.gz VJCGGHIKOLQBAR-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737730341 598255988 /nfs/dbraw/zinc/25/59/88/598255988.db2.gz IKXNTTKYGSEEFD-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM N#Cc1cccc(OC2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737730341 598255989 /nfs/dbraw/zinc/25/59/89/598255989.db2.gz IKXNTTKYGSEEFD-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823396228 607351786 /nfs/dbraw/zinc/35/17/86/607351786.db2.gz GIFBOJXSUVRBKA-UHFFFAOYSA-N -1 3 388.305 2.974 20 30 GFEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823396228 607351788 /nfs/dbraw/zinc/35/17/88/607351788.db2.gz GIFBOJXSUVRBKA-UHFFFAOYSA-N -1 3 388.305 2.974 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Br)cn1 ZINC000735418517 598443419 /nfs/dbraw/zinc/44/34/19/598443419.db2.gz GIGUXPJOBMQFIA-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Br)cn1 ZINC000735418517 598443421 /nfs/dbraw/zinc/44/34/21/598443421.db2.gz GIGUXPJOBMQFIA-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(OCC#N)cc2)n1 ZINC000736601621 598532195 /nfs/dbraw/zinc/53/21/95/598532195.db2.gz BLTKVDXRKUVGJW-UHFFFAOYSA-N -1 3 396.432 2.633 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(OCC#N)cc2)n1 ZINC000736601621 598532196 /nfs/dbraw/zinc/53/21/96/598532196.db2.gz BLTKVDXRKUVGJW-UHFFFAOYSA-N -1 3 396.432 2.633 20 30 GFEDHM CCOc1ccc(N(CCC#N)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736644635 598535921 /nfs/dbraw/zinc/53/59/21/598535921.db2.gz MTFWIPQAHFXWQX-UHFFFAOYSA-N -1 3 376.420 2.755 20 30 GFEDHM CCOc1ccc(N(CCC#N)C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736644635 598535922 /nfs/dbraw/zinc/53/59/22/598535922.db2.gz MTFWIPQAHFXWQX-UHFFFAOYSA-N -1 3 376.420 2.755 20 30 GFEDHM N#CCSCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737698041 598544276 /nfs/dbraw/zinc/54/42/76/598544276.db2.gz SJIXUIXLDWYIGY-UHFFFAOYSA-N -1 3 380.433 2.641 20 30 GFEDHM N#CCSCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737698041 598544277 /nfs/dbraw/zinc/54/42/77/598544277.db2.gz SJIXUIXLDWYIGY-UHFFFAOYSA-N -1 3 380.433 2.641 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737722960 598545817 /nfs/dbraw/zinc/54/58/17/598545817.db2.gz ZTZCVVYYHNMRCS-SOFGYWHQSA-N -1 3 382.330 2.992 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737722960 598545819 /nfs/dbraw/zinc/54/58/19/598545819.db2.gz ZTZCVVYYHNMRCS-SOFGYWHQSA-N -1 3 382.330 2.992 20 30 GFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737703558 598576345 /nfs/dbraw/zinc/57/63/45/598576345.db2.gz COLOFGQYSJJWOL-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736098353 598576630 /nfs/dbraw/zinc/57/66/30/598576630.db2.gz DKYHBVNRTNGQJP-LIRRHRJNSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736098353 598576632 /nfs/dbraw/zinc/57/66/32/598576632.db2.gz DKYHBVNRTNGQJP-LIRRHRJNSA-N -1 3 387.447 2.585 20 30 GFEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735391954 598662820 /nfs/dbraw/zinc/66/28/20/598662820.db2.gz YTVMDMYUUJJKOS-UHFFFAOYSA-N -1 3 387.852 2.717 20 30 GFEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735391954 598662822 /nfs/dbraw/zinc/66/28/22/598662822.db2.gz YTVMDMYUUJJKOS-UHFFFAOYSA-N -1 3 387.852 2.717 20 30 GFEDHM C#Cc1cccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000735390841 598781400 /nfs/dbraw/zinc/78/14/00/598781400.db2.gz DZNSHGPNHQHVPZ-UHFFFAOYSA-N -1 3 388.431 2.923 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000736633665 598818908 /nfs/dbraw/zinc/81/89/08/598818908.db2.gz FGQSJZCIDOZDDE-UHFFFAOYSA-N -1 3 387.403 2.996 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000736633665 598818910 /nfs/dbraw/zinc/81/89/10/598818910.db2.gz FGQSJZCIDOZDDE-UHFFFAOYSA-N -1 3 387.403 2.996 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000822136999 599363458 /nfs/dbraw/zinc/36/34/58/599363458.db2.gz SUMYAFNURYJVGL-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000822136999 599363461 /nfs/dbraw/zinc/36/34/61/599363461.db2.gz SUMYAFNURYJVGL-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819751579 599386109 /nfs/dbraw/zinc/38/61/09/599386109.db2.gz WZIRANDLWIZMCE-LBPRGKRZSA-N -1 3 382.399 2.901 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819751579 599386111 /nfs/dbraw/zinc/38/61/11/599386111.db2.gz WZIRANDLWIZMCE-LBPRGKRZSA-N -1 3 382.399 2.901 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820173529 607374190 /nfs/dbraw/zinc/37/41/90/607374190.db2.gz GIIWBIRQVYESDR-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820173529 607374193 /nfs/dbraw/zinc/37/41/93/607374193.db2.gz GIIWBIRQVYESDR-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM N#CCN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CCCC1 ZINC000737693220 599551923 /nfs/dbraw/zinc/55/19/23/599551923.db2.gz MTFNDDOGPLNMRX-UHFFFAOYSA-N -1 3 392.419 2.947 20 30 GFEDHM N#CCN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CCCC1 ZINC000737693220 599551925 /nfs/dbraw/zinc/55/19/25/599551925.db2.gz MTFNDDOGPLNMRX-UHFFFAOYSA-N -1 3 392.419 2.947 20 30 GFEDHM C=CCC[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734509 607391672 /nfs/dbraw/zinc/39/16/72/607391672.db2.gz PLIPAEWBRCUYIW-QGZVFWFLSA-N -1 3 392.467 2.680 20 30 GFEDHM C=CCC[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734509 607391673 /nfs/dbraw/zinc/39/16/73/607391673.db2.gz PLIPAEWBRCUYIW-QGZVFWFLSA-N -1 3 392.467 2.680 20 30 GFEDHM N#CC(C(=O)CCSCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000739074944 599799410 /nfs/dbraw/zinc/79/94/10/599799410.db2.gz NUNUFCNZLIXMCQ-SECBINFHSA-N -1 3 375.233 2.849 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1-c1nnn[n-]1 ZINC000820169629 607425979 /nfs/dbraw/zinc/42/59/79/607425979.db2.gz LBFZLFFJDFTBCU-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1-c1nn[n-]n1 ZINC000820169629 607425981 /nfs/dbraw/zinc/42/59/81/607425981.db2.gz LBFZLFFJDFTBCU-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000819734475 607438657 /nfs/dbraw/zinc/43/86/57/607438657.db2.gz OWEWCUMKMHOWBH-QGZVFWFLSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000819734475 607438660 /nfs/dbraw/zinc/43/86/60/607438660.db2.gz OWEWCUMKMHOWBH-QGZVFWFLSA-N -1 3 390.447 2.937 20 30 GFEDHM Cc1cc(C#N)ccc1COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826256786 607445822 /nfs/dbraw/zinc/44/58/22/607445822.db2.gz AFHZTDKENZXULF-LJQANCHMSA-N -1 3 388.431 2.759 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924067 607460742 /nfs/dbraw/zinc/46/07/42/607460742.db2.gz WLJKKVDIQMSMPS-VMPITWQZSA-N -1 3 393.422 2.863 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924067 607460743 /nfs/dbraw/zinc/46/07/43/607460743.db2.gz WLJKKVDIQMSMPS-VMPITWQZSA-N -1 3 393.422 2.863 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821334548 607459633 /nfs/dbraw/zinc/45/96/33/607459633.db2.gz NSHRIMNKYJCJFU-CMDGGOBGSA-N -1 3 396.378 2.844 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821334548 607459635 /nfs/dbraw/zinc/45/96/35/607459635.db2.gz NSHRIMNKYJCJFU-CMDGGOBGSA-N -1 3 396.378 2.844 20 30 GFEDHM N#CCCN(C(=O)CN(CCC(=O)[O-])C1CCOCC1)c1cccc(Cl)c1 ZINC000833065599 600858390 /nfs/dbraw/zinc/85/83/90/600858390.db2.gz HPOILGDQNQJAIY-UHFFFAOYSA-N -1 3 393.871 2.542 20 30 GFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000833074147 601314460 /nfs/dbraw/zinc/31/44/60/601314460.db2.gz PYWYLWZLXJZYDA-ROUUACIJSA-N -1 3 382.395 2.719 20 30 GFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739614649 602507864 /nfs/dbraw/zinc/50/78/64/602507864.db2.gz XJRDHGIDBHJNHC-UHFFFAOYSA-N -1 3 384.411 2.991 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823919775 607574803 /nfs/dbraw/zinc/57/48/03/607574803.db2.gz QFRLMNJPWQLVHZ-UHFFFAOYSA-N -1 3 375.841 2.901 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000826247422 607655420 /nfs/dbraw/zinc/65/54/20/607655420.db2.gz CMPLUWFJOAGPFG-UHFFFAOYSA-N -1 3 385.349 2.975 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000826247422 607655421 /nfs/dbraw/zinc/65/54/21/607655421.db2.gz CMPLUWFJOAGPFG-UHFFFAOYSA-N -1 3 385.349 2.975 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000825252235 604171440 /nfs/dbraw/zinc/17/14/40/604171440.db2.gz CTPOMXRHIQDBTC-MJBXVCDLSA-N -1 3 386.477 2.841 20 30 GFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN(C(=O)[O-])c1ccccc1 ZINC000828032144 605672799 /nfs/dbraw/zinc/67/27/99/605672799.db2.gz XKGYNEPEVJTBJU-UHFFFAOYSA-N -1 3 380.448 2.633 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000822650712 606228639 /nfs/dbraw/zinc/22/86/39/606228639.db2.gz YQPCPEGVVBTJMZ-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000822650712 606228641 /nfs/dbraw/zinc/22/86/41/606228641.db2.gz YQPCPEGVVBTJMZ-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000821620492 606301992 /nfs/dbraw/zinc/30/19/92/606301992.db2.gz LPOPLOWMYDFIGZ-BFWHYYNRSA-N -1 3 394.485 2.843 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000821620492 606301993 /nfs/dbraw/zinc/30/19/93/606301993.db2.gz LPOPLOWMYDFIGZ-BFWHYYNRSA-N -1 3 394.485 2.843 20 30 GFEDHM COC(=O)[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645275 606302332 /nfs/dbraw/zinc/30/23/32/606302332.db2.gz VNRJOHVFLLHCRG-SFHVURJKSA-N -1 3 392.419 2.875 20 30 GFEDHM COC(=O)[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645275 606302334 /nfs/dbraw/zinc/30/23/34/606302334.db2.gz VNRJOHVFLLHCRG-SFHVURJKSA-N -1 3 392.419 2.875 20 30 GFEDHM c1cc(-c2nnn[n-]2)sc1CN=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000819719060 606370343 /nfs/dbraw/zinc/37/03/43/606370343.db2.gz YBSJBCROPCYJAN-UHFFFAOYSA-N -1 3 388.420 2.503 20 30 GFEDHM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000821620789 606386796 /nfs/dbraw/zinc/38/67/96/606386796.db2.gz VYLYVCIECOQKRI-CZIBKUHYSA-N -1 3 394.485 2.843 20 30 GFEDHM C=CCN(CC=C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819739786 606597708 /nfs/dbraw/zinc/59/77/08/606597708.db2.gz HLOBMCFWGINZMQ-UHFFFAOYSA-N -1 3 395.435 2.902 20 30 GFEDHM C=CCN(CC=C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819739786 606597710 /nfs/dbraw/zinc/59/77/10/606597710.db2.gz HLOBMCFWGINZMQ-UHFFFAOYSA-N -1 3 395.435 2.902 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000819744196 606602616 /nfs/dbraw/zinc/60/26/16/606602616.db2.gz ZTMRLEDKPRLNKA-MSOLQXFVSA-N -1 3 384.484 2.625 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000819744196 606602618 /nfs/dbraw/zinc/60/26/18/606602618.db2.gz ZTMRLEDKPRLNKA-MSOLQXFVSA-N -1 3 384.484 2.625 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837691 606948177 /nfs/dbraw/zinc/94/81/77/606948177.db2.gz SAWREPIEYBCZDT-UHFFFAOYSA-N -1 3 395.444 2.843 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837691 606948178 /nfs/dbraw/zinc/94/81/78/606948178.db2.gz SAWREPIEYBCZDT-UHFFFAOYSA-N -1 3 395.444 2.843 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820314499 606991839 /nfs/dbraw/zinc/99/18/39/606991839.db2.gz JWMPMJPFZCSBIT-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820314499 606991840 /nfs/dbraw/zinc/99/18/40/606991840.db2.gz JWMPMJPFZCSBIT-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM C=CCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819740449 607003164 /nfs/dbraw/zinc/00/31/64/607003164.db2.gz ZTWLIWMFGGRDRF-UHFFFAOYSA-N -1 3 375.479 2.591 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000820005021 607117825 /nfs/dbraw/zinc/11/78/25/607117825.db2.gz JAQLDNSFLDIHHI-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000820005021 607117827 /nfs/dbraw/zinc/11/78/27/607117827.db2.gz JAQLDNSFLDIHHI-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000819818727 607237722 /nfs/dbraw/zinc/23/77/22/607237722.db2.gz VBUNOSWNZWLEDU-UHFFFAOYSA-N -1 3 381.783 2.602 20 30 GFEDHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000819818727 607237723 /nfs/dbraw/zinc/23/77/23/607237723.db2.gz VBUNOSWNZWLEDU-UHFFFAOYSA-N -1 3 381.783 2.602 20 30 GFEDHM C=CCc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000819758676 607248445 /nfs/dbraw/zinc/24/84/45/607248445.db2.gz FPGHRYYTZGCBSN-UHFFFAOYSA-N -1 3 384.367 2.971 20 30 GFEDHM C=CCc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000819758676 607248446 /nfs/dbraw/zinc/24/84/46/607248446.db2.gz FPGHRYYTZGCBSN-UHFFFAOYSA-N -1 3 384.367 2.971 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccncc1C ZINC000823909478 607860360 /nfs/dbraw/zinc/86/03/60/607860360.db2.gz FTKROMKNMQZNHB-UHFFFAOYSA-N -1 3 377.452 2.510 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccncc1C ZINC000823909478 607860361 /nfs/dbraw/zinc/86/03/61/607860361.db2.gz FTKROMKNMQZNHB-UHFFFAOYSA-N -1 3 377.452 2.510 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)c1ccc(C#N)cc1 ZINC000825608739 607872502 /nfs/dbraw/zinc/87/25/02/607872502.db2.gz DJLZEVNZCDQDTO-HNNXBMFYSA-N -1 3 385.811 2.903 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)c1ccc(C#N)cc1 ZINC000825608739 607872503 /nfs/dbraw/zinc/87/25/03/607872503.db2.gz DJLZEVNZCDQDTO-HNNXBMFYSA-N -1 3 385.811 2.903 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000824206928 607954716 /nfs/dbraw/zinc/95/47/16/607954716.db2.gz MADYTDIWSZFWIH-IBGZPJMESA-N -1 3 388.431 2.731 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000824206928 607954717 /nfs/dbraw/zinc/95/47/17/607954717.db2.gz MADYTDIWSZFWIH-IBGZPJMESA-N -1 3 388.431 2.731 20 30 GFEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273858 608004862 /nfs/dbraw/zinc/00/48/62/608004862.db2.gz XFUFLXJFTHJHKZ-UHFFFAOYSA-N -1 3 390.432 2.761 20 30 GFEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273858 608004863 /nfs/dbraw/zinc/00/48/63/608004863.db2.gz XFUFLXJFTHJHKZ-UHFFFAOYSA-N -1 3 390.432 2.761 20 30 GFEDHM CCc1c(C)sc(NC(=O)Cc2cccc(OCC#N)c2)c1-c1nnn[n-]1 ZINC000825686931 608026917 /nfs/dbraw/zinc/02/69/17/608026917.db2.gz BWCZGVLLMMJYBY-UHFFFAOYSA-N -1 3 382.449 2.883 20 30 GFEDHM CCc1c(C)sc(NC(=O)Cc2cccc(OCC#N)c2)c1-c1nn[n-]n1 ZINC000825686931 608026918 /nfs/dbraw/zinc/02/69/18/608026918.db2.gz BWCZGVLLMMJYBY-UHFFFAOYSA-N -1 3 382.449 2.883 20 30 GFEDHM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@](C)(C#N)C2)c1-c1nnn[n-]1 ZINC000826231757 608140811 /nfs/dbraw/zinc/14/08/11/608140811.db2.gz YJYGNWOTNGQSEN-SFHVURJKSA-N -1 3 383.481 2.627 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000823856597 608177922 /nfs/dbraw/zinc/17/79/22/608177922.db2.gz UXDHBLRYLKLWQW-UHFFFAOYSA-N -1 3 387.403 2.501 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000823856597 608177923 /nfs/dbraw/zinc/17/79/23/608177923.db2.gz UXDHBLRYLKLWQW-UHFFFAOYSA-N -1 3 387.403 2.501 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000824755987 608385102 /nfs/dbraw/zinc/38/51/02/608385102.db2.gz NFXNRTKIRHCKEC-CHWSQXEVSA-N -1 3 383.433 2.621 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000824755987 608385103 /nfs/dbraw/zinc/38/51/03/608385103.db2.gz NFXNRTKIRHCKEC-CHWSQXEVSA-N -1 3 383.433 2.621 20 30 GFEDHM N#Cc1nc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ccc1Cl ZINC000826387790 608410737 /nfs/dbraw/zinc/41/07/37/608410737.db2.gz QUMXPNPRWDZCIA-UHFFFAOYSA-N -1 3 377.799 2.789 20 30 GFEDHM N#Cc1nc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1Cl ZINC000826387790 608410739 /nfs/dbraw/zinc/41/07/39/608410739.db2.gz QUMXPNPRWDZCIA-UHFFFAOYSA-N -1 3 377.799 2.789 20 30 GFEDHM CC(C)c1ccc2c(c1)C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)C(=O)N2 ZINC000824347901 608535338 /nfs/dbraw/zinc/53/53/38/608535338.db2.gz RXGCBNKIVOKNRX-UHFFFAOYSA-N -1 3 382.815 2.807 20 30 GFEDHM CC(C)c1ccc2c(c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)C(=O)N2 ZINC000824347901 608535339 /nfs/dbraw/zinc/53/53/39/608535339.db2.gz RXGCBNKIVOKNRX-UHFFFAOYSA-N -1 3 382.815 2.807 20 30 GFEDHM COc1nc2ccccc2cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826221577 608536165 /nfs/dbraw/zinc/53/61/65/608536165.db2.gz LJHOJMCOZXAQHR-UHFFFAOYSA-N -1 3 380.799 2.918 20 30 GFEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000825494088 608540286 /nfs/dbraw/zinc/54/02/86/608540286.db2.gz SCFNLULXPRNUNI-SECBINFHSA-N -1 3 399.789 2.682 20 30 GFEDHM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000825494088 608540288 /nfs/dbraw/zinc/54/02/88/608540288.db2.gz SCFNLULXPRNUNI-SECBINFHSA-N -1 3 399.789 2.682 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Br)n1 ZINC000823914143 608830320 /nfs/dbraw/zinc/83/03/20/608830320.db2.gz BKUISFIBXNTSOT-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Br)n1 ZINC000823914143 608830322 /nfs/dbraw/zinc/83/03/22/608830322.db2.gz BKUISFIBXNTSOT-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826264003 608836741 /nfs/dbraw/zinc/83/67/41/608836741.db2.gz YXIDPNLDKLVFIK-UHFFFAOYSA-N -1 3 377.364 2.824 20 30 GFEDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826264003 608836744 /nfs/dbraw/zinc/83/67/44/608836744.db2.gz YXIDPNLDKLVFIK-UHFFFAOYSA-N -1 3 377.364 2.824 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000826234262 608879269 /nfs/dbraw/zinc/87/92/69/608879269.db2.gz OHDDASKDPHADKM-SOFGYWHQSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000826234262 608879271 /nfs/dbraw/zinc/87/92/71/608879271.db2.gz OHDDASKDPHADKM-SOFGYWHQSA-N -1 3 375.367 2.791 20 30 GFEDHM COc1cccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826216903 609158651 /nfs/dbraw/zinc/15/86/51/609158651.db2.gz RMIKOTWKDGDFIS-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1cccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826216903 609158653 /nfs/dbraw/zinc/15/86/53/609158653.db2.gz RMIKOTWKDGDFIS-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM N#Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(F)c1 ZINC000826384741 609279565 /nfs/dbraw/zinc/27/95/65/609279565.db2.gz HQWKPJJSMWCRQX-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM N#CCc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826382425 609287690 /nfs/dbraw/zinc/28/76/90/609287690.db2.gz DNMPCOJTAAAVHN-UHFFFAOYSA-N -1 3 388.366 2.510 20 30 GFEDHM Cn1cc(CN=Nc2ccccc2[N+](=O)[O-])c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360825 609303051 /nfs/dbraw/zinc/30/30/51/609303051.db2.gz ZOPMIWSQSMBPAP-UHFFFAOYSA-N -1 3 389.379 2.621 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1cccc(F)c1 ZINC000823878134 609371367 /nfs/dbraw/zinc/37/13/67/609371367.db2.gz QFRCRWJOZBXQCH-UHFFFAOYSA-N -1 3 397.458 2.860 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000823878134 609371369 /nfs/dbraw/zinc/37/13/69/609371369.db2.gz QFRCRWJOZBXQCH-UHFFFAOYSA-N -1 3 397.458 2.860 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823887975 609395730 /nfs/dbraw/zinc/39/57/30/609395730.db2.gz CGYNTIRKZZZVPL-AWEZNQCLSA-N -1 3 379.420 2.573 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823887975 609395732 /nfs/dbraw/zinc/39/57/32/609395732.db2.gz CGYNTIRKZZZVPL-AWEZNQCLSA-N -1 3 379.420 2.573 20 30 GFEDHM N#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000826380421 609454723 /nfs/dbraw/zinc/45/47/23/609454723.db2.gz ZUODFQORRNDAJB-LJQANCHMSA-N -1 3 399.414 2.768 20 30 GFEDHM N#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000826380421 609454725 /nfs/dbraw/zinc/45/47/25/609454725.db2.gz ZUODFQORRNDAJB-LJQANCHMSA-N -1 3 399.414 2.768 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000823937337 609510972 /nfs/dbraw/zinc/51/09/72/609510972.db2.gz SNJJHKLNUFHPNU-UHFFFAOYSA-N -1 3 386.433 2.513 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000823937337 609510974 /nfs/dbraw/zinc/51/09/74/609510974.db2.gz SNJJHKLNUFHPNU-UHFFFAOYSA-N -1 3 386.433 2.513 20 30 GFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258200 609601379 /nfs/dbraw/zinc/60/13/79/609601379.db2.gz DHKSLOGNYFRPEO-XCLFUZPHSA-N -1 3 390.451 2.563 20 30 GFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258200 609601381 /nfs/dbraw/zinc/60/13/81/609601381.db2.gz DHKSLOGNYFRPEO-XCLFUZPHSA-N -1 3 390.451 2.563 20 30 GFEDHM C[C@]1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1(Cl)Cl ZINC000832365139 660775588 /nfs/dbraw/zinc/77/55/88/660775588.db2.gz PNWFPRPYXOHGSD-LBPRGKRZSA-N -1 3 378.237 2.719 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2SCC)ccc1F ZINC000178089761 655297435 /nfs/dbraw/zinc/29/74/35/655297435.db2.gz XUBDSDGZWQTEGZ-LSDHHAIUSA-N -1 3 386.514 2.694 20 30 GFEDHM CN(C)c1ccc(S(N)(=O)=O)cc1N=Cc1cc(Br)ccc1[O-] ZINC000255215914 655437816 /nfs/dbraw/zinc/43/78/16/655437816.db2.gz NJFPYBASJJQODB-UHFFFAOYSA-N -1 3 398.282 2.619 20 30 GFEDHM Cc1ncc(CO)c(C=NNC(=S)Nc2cccc(Br)c2)c1[O-] ZINC000732767639 655601424 /nfs/dbraw/zinc/60/14/24/655601424.db2.gz OFDDEXONTJTOMO-UHFFFAOYSA-N -1 3 395.282 2.671 20 30 GFEDHM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C#N)c1 ZINC000783341415 657224604 /nfs/dbraw/zinc/22/46/04/657224604.db2.gz NELWQQYDPVHVGU-SNVBAGLBSA-N -1 3 384.866 2.856 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000797842099 659059259 /nfs/dbraw/zinc/05/92/59/659059259.db2.gz VEIQBOPZFSGCBS-JQWIXIFHSA-N -1 3 393.914 2.756 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC000805148267 659751337 /nfs/dbraw/zinc/75/13/37/659751337.db2.gz XLIKTQZASZBCDS-LBPRGKRZSA-N -1 3 375.244 2.684 20 30 GFEDHM Cc1cc(CC(C)(C)C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br ZINC000848132748 661626538 /nfs/dbraw/zinc/62/65/38/661626538.db2.gz OZZOFACOLCIJTM-AWEZNQCLSA-N -1 3 383.286 2.823 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000848135174 661627301 /nfs/dbraw/zinc/62/73/01/661627301.db2.gz LBXNXICKMMARGB-SNVBAGLBSA-N -1 3 381.148 2.578 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000848138655 661627377 /nfs/dbraw/zinc/62/73/77/661627377.db2.gz PJUVMDULKJSAJX-SNVBAGLBSA-N -1 3 386.633 2.694 20 30 GFEDHM C=CCOC[C@H](NCc1cn(-c2ccc(Br)cc2)nc1C)C(=O)[O-] ZINC000901808433 663746599 /nfs/dbraw/zinc/74/65/99/663746599.db2.gz JJOSXWCTFDGZAX-INIZCTEOSA-N -1 3 394.269 2.689 20 30 GFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(I)s1 ZINC000907189701 664010567 /nfs/dbraw/zinc/01/05/67/664010567.db2.gz XZFHEMWJUMBHIG-UHFFFAOYSA-N -1 3 398.291 2.961 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCN(c2ccccn2)CC1 ZINC000156495539 551523937 /nfs/dbraw/zinc/52/39/37/551523937.db2.gz PNBIBDCORICFRA-UHFFFAOYSA-N -1 3 376.869 2.554 20 30 GFEDHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157643846 551540499 /nfs/dbraw/zinc/54/04/99/551540499.db2.gz UMRNGTAIOZHSBR-IUODEOHRSA-N -1 3 383.901 2.573 20 30 GFEDHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000180033074 552210218 /nfs/dbraw/zinc/21/02/18/552210218.db2.gz DMJVCECTNBNADQ-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000183387114 552307953 /nfs/dbraw/zinc/30/79/53/552307953.db2.gz BHMKZCKLWZNZSE-UHFFFAOYSA-N -1 3 378.837 2.504 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188551763 552447742 /nfs/dbraw/zinc/44/77/42/552447742.db2.gz ZPYSJNCMVMVZPK-IINYFYTJSA-N -1 3 396.818 2.974 20 30 GFEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)[N-]c1cnns1 ZINC000192006481 552545563 /nfs/dbraw/zinc/54/55/63/552545563.db2.gz FVQAUMKJEMHWHP-UHFFFAOYSA-N -1 3 399.245 2.593 20 30 GFEDHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(C)c1Cl ZINC000295727960 563260387 /nfs/dbraw/zinc/26/03/87/563260387.db2.gz MIVVAWPMCPVNSQ-UWVGGRQHSA-N -1 3 376.887 2.857 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000296067806 563273961 /nfs/dbraw/zinc/27/39/61/563273961.db2.gz OJSGGPYBZRBPAY-HZPDHXFCSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)c(Cl)c1 ZINC000425194067 563409818 /nfs/dbraw/zinc/40/98/18/563409818.db2.gz MSMSUJDHNDPVDA-UHFFFAOYSA-N -1 3 376.812 2.885 20 30 GFEDHM C[C@@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428415843 563491539 /nfs/dbraw/zinc/49/15/39/563491539.db2.gz AEVFLAVMPXGYAR-JTQLQIEISA-N -1 3 398.257 2.764 20 30 GFEDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000330840517 563523083 /nfs/dbraw/zinc/52/30/83/563523083.db2.gz MFTVDGSMWZLBHO-UHFFFAOYSA-N -1 3 385.873 2.812 20 30 GFEDHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000431629710 563565187 /nfs/dbraw/zinc/56/51/87/563565187.db2.gz XUDYEAPNTSUXIT-ZDUSSCGKSA-N -1 3 379.463 2.643 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000333742822 563640698 /nfs/dbraw/zinc/64/06/98/563640698.db2.gz WDFPMPJCNRFKQO-GFCCVEGCSA-N -1 3 399.310 2.948 20 30 GFEDHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435424562 563649727 /nfs/dbraw/zinc/64/97/27/563649727.db2.gz AMGCPRPKOMEMFE-UHFFFAOYSA-N -1 3 387.280 2.869 20 30 GFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000412838157 563671189 /nfs/dbraw/zinc/67/11/89/563671189.db2.gz JGHSSSXGOWSESF-HOCLYGCPSA-N -1 3 378.519 2.719 20 30 GFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000412843431 563671412 /nfs/dbraw/zinc/67/14/12/563671412.db2.gz SCYPTVMDSKQXIA-INIZCTEOSA-N -1 3 378.519 2.720 20 30 GFEDHM N#Cc1c(Br)cccc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000439956638 563733149 /nfs/dbraw/zinc/73/31/49/563733149.db2.gz GTAGVERLLGJCEP-UHFFFAOYSA-N -1 3 386.249 2.989 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000443511114 563807577 /nfs/dbraw/zinc/80/75/77/563807577.db2.gz SMYXNWMPQDDHHC-GFCCVEGCSA-N -1 3 379.781 2.532 20 30 GFEDHM C=CC[C@@H]1N(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CCCC1(C)C ZINC000444871596 563839097 /nfs/dbraw/zinc/83/90/97/563839097.db2.gz FOIKYIOOUAFNKC-AWEZNQCLSA-N -1 3 385.555 2.933 20 30 GFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(C#N)CCSC ZINC000508127113 564255539 /nfs/dbraw/zinc/25/55/39/564255539.db2.gz HLEGLBYGGSTWNR-ZDUSSCGKSA-N -1 3 393.328 2.771 20 30 GFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000451810435 564354291 /nfs/dbraw/zinc/35/42/91/564354291.db2.gz LJBBWNYPYORPID-UHFFFAOYSA-N -1 3 376.272 2.726 20 30 GFEDHM C=CC[C@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000545349832 564417515 /nfs/dbraw/zinc/41/75/15/564417515.db2.gz LAXGUXZIICEDON-LBPRGKRZSA-N -1 3 378.491 2.609 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Br)cn1 ZINC000481229386 564506907 /nfs/dbraw/zinc/50/69/07/564506907.db2.gz POTTVNWQLVLJIK-SECBINFHSA-N -1 3 384.230 2.894 20 30 GFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)c2nccn21 ZINC000520730674 564611251 /nfs/dbraw/zinc/61/12/51/564611251.db2.gz GMRPYMMLYVLYJJ-SKDRFNHKSA-N -1 3 381.255 2.502 20 30 GFEDHM Cc1cccc(CCC[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000573469929 564639263 /nfs/dbraw/zinc/63/92/63/564639263.db2.gz KDPUCNTWAALWIB-UHFFFAOYSA-N -1 3 394.294 2.935 20 30 GFEDHM COCCC(C)(C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000577284218 564732968 /nfs/dbraw/zinc/73/29/68/564732968.db2.gz NFQUGCALMXKMRD-UHFFFAOYSA-N -1 3 375.288 2.662 20 30 GFEDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000553868652 564741321 /nfs/dbraw/zinc/74/13/21/564741321.db2.gz CKKRVYIDZIIEKT-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553871999 564742743 /nfs/dbraw/zinc/74/27/43/564742743.db2.gz OUXNKJLWPYUSBV-UHFFFAOYSA-N -1 3 397.298 2.652 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccccc2Br)cc1 ZINC000553892752 564743323 /nfs/dbraw/zinc/74/33/23/564743323.db2.gz CGNVKBDMYMANHK-UHFFFAOYSA-N -1 3 393.262 2.623 20 30 GFEDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1C ZINC000531490343 564912451 /nfs/dbraw/zinc/91/24/51/564912451.db2.gz PHWYOSMNXNIJEL-UHFFFAOYSA-N -1 3 397.298 2.633 20 30 GFEDHM C[C@@]1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@@H]1C1CC1 ZINC000562788259 565043055 /nfs/dbraw/zinc/04/30/55/565043055.db2.gz BYFTWYDFIKYIOD-HUUCEWRRSA-N -1 3 385.283 2.557 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000584313860 565076141 /nfs/dbraw/zinc/07/61/41/565076141.db2.gz IOMCELQCFPPYCC-NSHDSACASA-N -1 3 393.262 2.775 20 30 GFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000586756216 565114860 /nfs/dbraw/zinc/11/48/60/565114860.db2.gz DQTAWAFBCAPYCY-CYBMUJFWSA-N -1 3 393.328 2.771 20 30 GFEDHM C=C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000685838217 565125758 /nfs/dbraw/zinc/12/57/58/565125758.db2.gz HQOQJHKGDMJNJT-GFCCVEGCSA-N -1 3 376.400 2.551 20 30 GFEDHM N#CCCCCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000588166753 565130104 /nfs/dbraw/zinc/13/01/04/565130104.db2.gz OMSHKEXFNVSJQE-UHFFFAOYSA-N -1 3 392.308 2.862 20 30 GFEDHM N#Cc1cc([O-])cc(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000589175090 565155298 /nfs/dbraw/zinc/15/52/98/565155298.db2.gz CJDAPHCNHXUMII-UHFFFAOYSA-N -1 3 398.220 2.741 20 30 GFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000593278796 565323831 /nfs/dbraw/zinc/32/38/31/565323831.db2.gz AAQZVJFKTDPRRO-CYBMUJFWSA-N -1 3 388.312 2.634 20 30 GFEDHM Cc1cnc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)c(C)c1 ZINC000594476639 565393390 /nfs/dbraw/zinc/39/33/90/565393390.db2.gz VRQOCYGVFWRGIL-UHFFFAOYSA-N -1 3 394.294 2.854 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594494421 565397053 /nfs/dbraw/zinc/39/70/53/565397053.db2.gz ZZFDSIFAVUZQSR-UHFFFAOYSA-N -1 3 376.459 2.764 20 30 GFEDHM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594779434 565420903 /nfs/dbraw/zinc/42/09/03/565420903.db2.gz OAAWMCGCPGODGZ-OCCSQVGLSA-N -1 3 378.475 2.701 20 30 GFEDHM N#Cc1cccc(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594818548 565424933 /nfs/dbraw/zinc/42/49/33/565424933.db2.gz LNVPZYWLTNTVFI-OAHLLOKOSA-N -1 3 376.400 2.868 20 30 GFEDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)C1(F)F ZINC000595351628 565467673 /nfs/dbraw/zinc/46/76/73/565467673.db2.gz IVUOSSXANMYPQN-NSHDSACASA-N -1 3 379.226 2.890 20 30 GFEDHM CNC(=O)CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCCC1 ZINC000595366243 565469709 /nfs/dbraw/zinc/46/97/09/565469709.db2.gz HQQQTOGSFGLIOU-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM Cc1cc(S(N)(=O)=O)oc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000597187588 565554155 /nfs/dbraw/zinc/55/41/55/565554155.db2.gz RJWSZJFPBMCGPG-NSHDSACASA-N -1 3 379.463 2.882 20 30 GFEDHM N#CCC1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000598022625 565589939 /nfs/dbraw/zinc/58/99/39/565589939.db2.gz FIJYZDLPMPLTRA-UHFFFAOYSA-N -1 3 380.629 2.930 20 30 GFEDHM N#CCC1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000598022625 565589945 /nfs/dbraw/zinc/58/99/45/565589945.db2.gz FIJYZDLPMPLTRA-UHFFFAOYSA-N -1 3 380.629 2.930 20 30 GFEDHM N#Cc1cc(F)cc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000601713512 565799209 /nfs/dbraw/zinc/79/92/09/565799209.db2.gz DLMOWTNNYDGIQB-UHFFFAOYSA-N -1 3 379.438 2.796 20 30 GFEDHM Cc1nc(C#N)c(N2[N-]C(=O)[C@@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)o1 ZINC000601941650 565809807 /nfs/dbraw/zinc/80/98/07/565809807.db2.gz ZNJILPBEBRBUGX-MRXNPFEDSA-N -1 3 379.203 2.887 20 30 GFEDHM C=CCCOCC(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000609520517 566041894 /nfs/dbraw/zinc/04/18/94/566041894.db2.gz IVIKJTZLDPKSME-UHFFFAOYSA-N -1 3 397.216 2.634 20 30 GFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000611234203 566123130 /nfs/dbraw/zinc/12/31/30/566123130.db2.gz DUJSPOSEUUIOTH-UHFFFAOYSA-N -1 3 376.306 2.873 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1Br ZINC000737673970 598826160 /nfs/dbraw/zinc/82/61/60/598826160.db2.gz FLRYRHMSAXIXCG-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1Br ZINC000737673970 598826162 /nfs/dbraw/zinc/82/61/62/598826162.db2.gz FLRYRHMSAXIXCG-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000737677053 598826272 /nfs/dbraw/zinc/82/62/72/598826272.db2.gz YVBUPPGCGCLOGP-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000737677053 598826273 /nfs/dbraw/zinc/82/62/73/598826273.db2.gz YVBUPPGCGCLOGP-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735437698 598895383 /nfs/dbraw/zinc/89/53/83/598895383.db2.gz PAUKQJLDKDPFDF-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735437698 598895384 /nfs/dbraw/zinc/89/53/84/598895384.db2.gz PAUKQJLDKDPFDF-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cs2)o1 ZINC000737288222 598918213 /nfs/dbraw/zinc/91/82/13/598918213.db2.gz MCMFSCSSHHFKIW-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cs2)o1 ZINC000737288222 598918215 /nfs/dbraw/zinc/91/82/15/598918215.db2.gz MCMFSCSSHHFKIW-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000819773901 607253614 /nfs/dbraw/zinc/25/36/14/607253614.db2.gz XAPXUKCLTNZZBJ-UHFFFAOYSA-N -1 3 397.446 2.746 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000819773901 607253615 /nfs/dbraw/zinc/25/36/15/607253615.db2.gz XAPXUKCLTNZZBJ-UHFFFAOYSA-N -1 3 397.446 2.746 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000737710605 599003211 /nfs/dbraw/zinc/00/32/11/599003211.db2.gz AZDKNCWGYNILJS-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000737710605 599003213 /nfs/dbraw/zinc/00/32/13/599003213.db2.gz AZDKNCWGYNILJS-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnc3ccccn23)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202434 599157617 /nfs/dbraw/zinc/15/76/17/599157617.db2.gz MLYQIMOGYVHQTH-KTKRTIGZSA-N -1 3 396.414 2.905 20 30 GFEDHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737191777 599193482 /nfs/dbraw/zinc/19/34/82/599193482.db2.gz VKMCWXCLIIZFME-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737191777 599193485 /nfs/dbraw/zinc/19/34/85/599193485.db2.gz VKMCWXCLIIZFME-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821703014 607268482 /nfs/dbraw/zinc/26/84/82/607268482.db2.gz KYNQIGYQAIPUKO-UHFFFAOYSA-N -1 3 392.419 2.853 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821703014 607268483 /nfs/dbraw/zinc/26/84/83/607268483.db2.gz KYNQIGYQAIPUKO-UHFFFAOYSA-N -1 3 392.419 2.853 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OCC(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000822822881 607316727 /nfs/dbraw/zinc/31/67/27/607316727.db2.gz GGDNZSASFBLMMF-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OCC(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000822822881 607316728 /nfs/dbraw/zinc/31/67/28/607316728.db2.gz GGDNZSASFBLMMF-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM N#Cc1ccc(N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000285563316 598242213 /nfs/dbraw/zinc/24/22/13/598242213.db2.gz TYNILPPKDWFPCB-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM N#Cc1ccc(N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000285563316 598242214 /nfs/dbraw/zinc/24/22/14/598242214.db2.gz TYNILPPKDWFPCB-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM N#CCn1c(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000737703657 598289197 /nfs/dbraw/zinc/28/91/97/598289197.db2.gz ABUAIUBBPIQUOM-UHFFFAOYSA-N -1 3 388.387 2.581 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736638390 598323900 /nfs/dbraw/zinc/32/39/00/598323900.db2.gz XANMKZRVMZFRIO-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736638390 598323902 /nfs/dbraw/zinc/32/39/02/598323902.db2.gz XANMKZRVMZFRIO-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735388218 598365619 /nfs/dbraw/zinc/36/56/19/598365619.db2.gz UFBIJCGSNPMNKY-UHFFFAOYSA-N -1 3 383.415 2.545 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735388218 598365621 /nfs/dbraw/zinc/36/56/21/598365621.db2.gz UFBIJCGSNPMNKY-UHFFFAOYSA-N -1 3 383.415 2.545 20 30 GFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737802765 598379053 /nfs/dbraw/zinc/37/90/53/598379053.db2.gz XPIHWPQTNDVARV-RUDMXATFSA-N -1 3 375.432 2.724 20 30 GFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737802765 598379054 /nfs/dbraw/zinc/37/90/54/598379054.db2.gz XPIHWPQTNDVARV-RUDMXATFSA-N -1 3 375.432 2.724 20 30 GFEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735913416 598439426 /nfs/dbraw/zinc/43/94/26/598439426.db2.gz OAFKQSWEDCQMSA-UHFFFAOYSA-N -1 3 381.465 2.974 20 30 GFEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735913416 598439428 /nfs/dbraw/zinc/43/94/28/598439428.db2.gz OAFKQSWEDCQMSA-UHFFFAOYSA-N -1 3 381.465 2.974 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000737794384 598439770 /nfs/dbraw/zinc/43/97/70/598439770.db2.gz DQCRORCAFJUORQ-ALCCZGGFSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000737794384 598439771 /nfs/dbraw/zinc/43/97/71/598439771.db2.gz DQCRORCAFJUORQ-ALCCZGGFSA-N -1 3 379.395 2.739 20 30 GFEDHM N#CCOc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737697384 598533377 /nfs/dbraw/zinc/53/33/77/598533377.db2.gz FISSFHBOSBNRTA-UHFFFAOYSA-N -1 3 383.799 2.744 20 30 GFEDHM N#CCOc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737697384 598533379 /nfs/dbraw/zinc/53/33/79/598533379.db2.gz FISSFHBOSBNRTA-UHFFFAOYSA-N -1 3 383.799 2.744 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737249973 598549098 /nfs/dbraw/zinc/54/90/98/598549098.db2.gz GMKUIJDKQHGCML-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737249973 598549100 /nfs/dbraw/zinc/54/91/00/598549100.db2.gz GMKUIJDKQHGCML-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735734827 598584630 /nfs/dbraw/zinc/58/46/30/598584630.db2.gz JXNKNDJIWFCTBH-QGZVFWFLSA-N -1 3 380.383 2.920 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735734827 598584632 /nfs/dbraw/zinc/58/46/32/598584632.db2.gz JXNKNDJIWFCTBH-QGZVFWFLSA-N -1 3 380.383 2.920 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735428748 598615497 /nfs/dbraw/zinc/61/54/97/598615497.db2.gz OFISDDJSRLGOTN-ZDUSSCGKSA-N -1 3 396.426 2.687 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735428748 598615499 /nfs/dbraw/zinc/61/54/99/598615499.db2.gz OFISDDJSRLGOTN-ZDUSSCGKSA-N -1 3 396.426 2.687 20 30 GFEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)o2)cc1 ZINC000737721596 598661511 /nfs/dbraw/zinc/66/15/11/598661511.db2.gz MMEWZNBHMWIHEX-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)o2)cc1 ZINC000737721596 598661513 /nfs/dbraw/zinc/66/15/13/598661513.db2.gz MMEWZNBHMWIHEX-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735436145 598667617 /nfs/dbraw/zinc/66/76/17/598667617.db2.gz GRJDKHDRDZDWJS-CQSZACIVSA-N -1 3 379.420 2.515 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735436145 598667618 /nfs/dbraw/zinc/66/76/18/598667618.db2.gz GRJDKHDRDZDWJS-CQSZACIVSA-N -1 3 379.420 2.515 20 30 GFEDHM N#C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000737676038 598683931 /nfs/dbraw/zinc/68/39/31/598683931.db2.gz UEDPEKDHKGDEPD-GOSISDBHSA-N -1 3 394.410 2.936 20 30 GFEDHM N#C[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000737676038 598683934 /nfs/dbraw/zinc/68/39/34/598683934.db2.gz UEDPEKDHKGDEPD-GOSISDBHSA-N -1 3 394.410 2.936 20 30 GFEDHM N#C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000737676043 598684269 /nfs/dbraw/zinc/68/42/69/598684269.db2.gz UEDPEKDHKGDEPD-SFHVURJKSA-N -1 3 394.410 2.936 20 30 GFEDHM N#C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000737676043 598684271 /nfs/dbraw/zinc/68/42/71/598684271.db2.gz UEDPEKDHKGDEPD-SFHVURJKSA-N -1 3 394.410 2.936 20 30 GFEDHM N#C[C@@H](C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccn1 ZINC000737674645 598734756 /nfs/dbraw/zinc/73/47/56/598734756.db2.gz XFFIYVJVJFTMAP-MRXNPFEDSA-N -1 3 383.371 2.939 20 30 GFEDHM N#C[C@@H](C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccn1 ZINC000737674645 598734757 /nfs/dbraw/zinc/73/47/57/598734757.db2.gz XFFIYVJVJFTMAP-MRXNPFEDSA-N -1 3 383.371 2.939 20 30 GFEDHM N#CC1(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCCCC1 ZINC000737675454 598745803 /nfs/dbraw/zinc/74/58/03/598745803.db2.gz PEQGVLCFXVLRBS-UHFFFAOYSA-N -1 3 380.452 2.711 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000737731029 598797891 /nfs/dbraw/zinc/79/78/91/598797891.db2.gz VZPHOJPPMXWSND-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000737731029 598797893 /nfs/dbraw/zinc/79/78/93/598797893.db2.gz VZPHOJPPMXWSND-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000819709606 599339508 /nfs/dbraw/zinc/33/95/08/599339508.db2.gz LVVLRZOBXDWSPX-UHFFFAOYSA-N -1 3 387.472 2.875 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000819709606 599339511 /nfs/dbraw/zinc/33/95/11/599339511.db2.gz LVVLRZOBXDWSPX-UHFFFAOYSA-N -1 3 387.472 2.875 20 30 GFEDHM N#Cc1cc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc2ccccc12 ZINC000737709884 599428617 /nfs/dbraw/zinc/42/86/17/599428617.db2.gz OESLSXHDTHQIAT-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1cc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc2ccccc12 ZINC000737709884 599428620 /nfs/dbraw/zinc/42/86/20/599428620.db2.gz OESLSXHDTHQIAT-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1cccc(Cl)c1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822837169 599522527 /nfs/dbraw/zinc/52/25/27/599522527.db2.gz IDVHUEMHIUAUQB-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1cccc(Cl)c1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822837169 599522530 /nfs/dbraw/zinc/52/25/30/599522530.db2.gz IDVHUEMHIUAUQB-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#CCN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CCCC1 ZINC000737693902 599589777 /nfs/dbraw/zinc/58/97/77/599589777.db2.gz UKXIFZQCCQRLMZ-UHFFFAOYSA-N -1 3 385.497 2.514 20 30 GFEDHM N#CCN(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CCCC1 ZINC000737693902 599589779 /nfs/dbraw/zinc/58/97/79/599589779.db2.gz UKXIFZQCCQRLMZ-UHFFFAOYSA-N -1 3 385.497 2.514 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-] ZINC000737886834 599912274 /nfs/dbraw/zinc/91/22/74/599912274.db2.gz QFHBLPDGSQPJEL-NSHDSACASA-N -1 3 381.816 2.694 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)CN(CCC(=O)[O-])C2CCOCC2)c1C ZINC000832970983 600858876 /nfs/dbraw/zinc/85/88/76/600858876.db2.gz FDMKTQFYGHMPSR-UHFFFAOYSA-N -1 3 387.480 2.506 20 30 GFEDHM N#Cc1c(NC(=O)CCN2CCSC[C@@H]2CC(=O)[O-])sc2c1CCCC2 ZINC000833067969 601017083 /nfs/dbraw/zinc/01/70/83/601017083.db2.gz KJVYIGBOFRFPHD-LBPRGKRZSA-N -1 3 393.534 2.719 20 30 GFEDHM N#CCc1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000833069021 601741056 /nfs/dbraw/zinc/74/10/56/601741056.db2.gz LCQKOZVBDOGWAQ-JOCHJYFZSA-N -1 3 377.444 2.602 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3c(C)cc(C)cc32)cc1-c1nnn[n-]1 ZINC000826203465 607559214 /nfs/dbraw/zinc/55/92/14/607559214.db2.gz PJYNWEHXZADQQU-UHFFFAOYSA-N -1 3 385.431 2.946 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3c(C)cc(C)cc32)cc1-c1nn[n-]n1 ZINC000826203465 607559215 /nfs/dbraw/zinc/55/92/15/607559215.db2.gz PJYNWEHXZADQQU-UHFFFAOYSA-N -1 3 385.431 2.946 20 30 GFEDHM N#Cc1cnc2ccccc2c1N1CCN(C[C@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740322291 602703903 /nfs/dbraw/zinc/70/39/03/602703903.db2.gz UWJCEWYRCPSFJM-MRXNPFEDSA-N -1 3 379.464 2.618 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825038902 607688725 /nfs/dbraw/zinc/68/87/25/607688725.db2.gz IYUMMAFDWLRSIA-INIZCTEOSA-N -1 3 376.420 2.786 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825038902 607688726 /nfs/dbraw/zinc/68/87/26/607688726.db2.gz IYUMMAFDWLRSIA-INIZCTEOSA-N -1 3 376.420 2.786 20 30 GFEDHM CC(C)(C(=O)[O-])[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000833413681 605178022 /nfs/dbraw/zinc/17/80/22/605178022.db2.gz OEFWFSZQVBWKBO-GOSISDBHSA-N -1 3 386.473 2.774 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](COC)c1ccco1 ZINC000819743387 606117604 /nfs/dbraw/zinc/11/76/04/606117604.db2.gz HTEITRJPXLCWLK-INIZCTEOSA-N -1 3 382.424 2.545 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](COC)c1ccco1 ZINC000819743387 606117605 /nfs/dbraw/zinc/11/76/05/606117605.db2.gz HTEITRJPXLCWLK-INIZCTEOSA-N -1 3 382.424 2.545 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)Cc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000822487011 606146710 /nfs/dbraw/zinc/14/67/10/606146710.db2.gz XLNSHIKOHPYNCJ-UHFFFAOYSA-N -1 3 399.414 2.518 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000822801976 606300906 /nfs/dbraw/zinc/30/09/06/606300906.db2.gz SNYDPXHWVYWARO-WMZOPIPTSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000822801976 606300909 /nfs/dbraw/zinc/30/09/09/606300909.db2.gz SNYDPXHWVYWARO-WMZOPIPTSA-N -1 3 388.431 2.868 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000821620494 606302315 /nfs/dbraw/zinc/30/23/15/606302315.db2.gz LPOPLOWMYDFIGZ-PIBZFADSSA-N -1 3 394.485 2.843 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000821620494 606302316 /nfs/dbraw/zinc/30/23/16/606302316.db2.gz LPOPLOWMYDFIGZ-PIBZFADSSA-N -1 3 394.485 2.843 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820548677 606434959 /nfs/dbraw/zinc/43/49/59/606434959.db2.gz FAZFRZWRSURMJQ-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820548677 606434961 /nfs/dbraw/zinc/43/49/61/606434961.db2.gz FAZFRZWRSURMJQ-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822801659 606445574 /nfs/dbraw/zinc/44/55/74/606445574.db2.gz LQVODTDOPHUEPG-RTBURBONSA-N -1 3 388.431 2.544 20 30 GFEDHM COC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821681545 606747886 /nfs/dbraw/zinc/74/78/86/606747886.db2.gz NGRFDKRBOMWADQ-SMDDNHRTSA-N -1 3 382.449 2.839 20 30 GFEDHM COC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821681545 606747888 /nfs/dbraw/zinc/74/78/88/606747888.db2.gz NGRFDKRBOMWADQ-SMDDNHRTSA-N -1 3 382.449 2.839 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCOc1cccc(C#N)c1 ZINC000822505511 606839559 /nfs/dbraw/zinc/83/95/59/606839559.db2.gz MIMPICADMJYPGW-UHFFFAOYSA-N -1 3 386.419 2.774 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCOc1cccc(C#N)c1 ZINC000822505511 606839560 /nfs/dbraw/zinc/83/95/60/606839560.db2.gz MIMPICADMJYPGW-UHFFFAOYSA-N -1 3 386.419 2.774 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822505474 606839591 /nfs/dbraw/zinc/83/95/91/606839591.db2.gz LJQQCAKYSPUGIY-UHFFFAOYSA-N -1 3 386.419 2.774 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822505474 606839592 /nfs/dbraw/zinc/83/95/92/606839592.db2.gz LJQQCAKYSPUGIY-UHFFFAOYSA-N -1 3 386.419 2.774 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819745763 606882304 /nfs/dbraw/zinc/88/23/04/606882304.db2.gz REAQZXZASXJDCK-UHFFFAOYSA-N -1 3 377.376 2.526 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819745763 606882306 /nfs/dbraw/zinc/88/23/06/606882306.db2.gz REAQZXZASXJDCK-UHFFFAOYSA-N -1 3 377.376 2.526 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820005161 607117571 /nfs/dbraw/zinc/11/75/71/607117571.db2.gz LHYLZUAEIFUVMQ-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820005161 607117573 /nfs/dbraw/zinc/11/75/73/607117573.db2.gz LHYLZUAEIFUVMQ-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(C#N)c1ccccc1COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000819891593 607154607 /nfs/dbraw/zinc/15/46/07/607154607.db2.gz CIFOSSQBHMMIAS-UHFFFAOYSA-N -1 3 377.404 2.790 20 30 GFEDHM CC(C)(C#N)c1ccccc1COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000819891593 607154610 /nfs/dbraw/zinc/15/46/10/607154610.db2.gz CIFOSSQBHMMIAS-UHFFFAOYSA-N -1 3 377.404 2.790 20 30 GFEDHM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000819764508 607169206 /nfs/dbraw/zinc/16/92/06/607169206.db2.gz HWOYAYCACWZUFN-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM C=CCn1c(SCc2cc(F)ccc2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000819764508 607169207 /nfs/dbraw/zinc/16/92/07/607169207.db2.gz HWOYAYCACWZUFN-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820001594 607239575 /nfs/dbraw/zinc/23/95/75/607239575.db2.gz UJEHLRXBEGSOAU-UHFFFAOYSA-N -1 3 396.382 2.704 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000820001594 607239576 /nfs/dbraw/zinc/23/95/76/607239576.db2.gz UJEHLRXBEGSOAU-UHFFFAOYSA-N -1 3 396.382 2.704 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1C(=O)OC ZINC000823909805 607781953 /nfs/dbraw/zinc/78/19/53/607781953.db2.gz RDSNTZPYPUGLFX-UHFFFAOYSA-N -1 3 392.419 2.873 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1C(=O)OC ZINC000823909805 607781954 /nfs/dbraw/zinc/78/19/54/607781954.db2.gz RDSNTZPYPUGLFX-UHFFFAOYSA-N -1 3 392.419 2.873 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823855850 607893616 /nfs/dbraw/zinc/89/36/16/607893616.db2.gz BTFBWMDZRMOTPA-UHFFFAOYSA-N -1 3 395.394 2.563 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823855850 607893617 /nfs/dbraw/zinc/89/36/17/607893617.db2.gz BTFBWMDZRMOTPA-UHFFFAOYSA-N -1 3 395.394 2.563 20 30 GFEDHM C=CCCC(=O)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823888488 608057079 /nfs/dbraw/zinc/05/70/79/608057079.db2.gz OFDBKXKOERKIMC-UHFFFAOYSA-N -1 3 382.376 2.731 20 30 GFEDHM COC[C@@H](C#N)OC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826147970 608143339 /nfs/dbraw/zinc/14/33/39/608143339.db2.gz SWSFOAINWBSDDB-GFCCVEGCSA-N -1 3 381.417 2.713 20 30 GFEDHM COC[C@@H](C#N)OC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826147970 608143340 /nfs/dbraw/zinc/14/33/40/608143340.db2.gz SWSFOAINWBSDDB-GFCCVEGCSA-N -1 3 381.417 2.713 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(CCC)nn1C ZINC000823910206 608273494 /nfs/dbraw/zinc/27/34/94/608273494.db2.gz ZAKWJSJYJQVOJT-UHFFFAOYSA-N -1 3 380.456 2.773 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(CCC)nn1C ZINC000823910206 608273496 /nfs/dbraw/zinc/27/34/96/608273496.db2.gz ZAKWJSJYJQVOJT-UHFFFAOYSA-N -1 3 380.456 2.773 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823919302 608355504 /nfs/dbraw/zinc/35/55/04/608355504.db2.gz BOXLDHGZJSAZSQ-UHFFFAOYSA-N -1 3 380.408 2.972 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823919302 608355506 /nfs/dbraw/zinc/35/55/06/608355506.db2.gz BOXLDHGZJSAZSQ-UHFFFAOYSA-N -1 3 380.408 2.972 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000826387808 608366390 /nfs/dbraw/zinc/36/63/90/608366390.db2.gz RQWQHXNOKZONJC-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000826387808 608366391 /nfs/dbraw/zinc/36/63/91/608366391.db2.gz RQWQHXNOKZONJC-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM N#Cc1nnc2ccccc2c1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826388125 608410752 /nfs/dbraw/zinc/41/07/52/608410752.db2.gz JFNSPJVPCIGDQD-UHFFFAOYSA-N -1 3 394.402 2.684 20 30 GFEDHM N#Cc1nnc2ccccc2c1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826388125 608410754 /nfs/dbraw/zinc/41/07/54/608410754.db2.gz JFNSPJVPCIGDQD-UHFFFAOYSA-N -1 3 394.402 2.684 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826385510 608446908 /nfs/dbraw/zinc/44/69/08/608446908.db2.gz PQFAMAZGWLRRDT-KRWDZBQOSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826385510 608446910 /nfs/dbraw/zinc/44/69/10/608446910.db2.gz PQFAMAZGWLRRDT-KRWDZBQOSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(NC(=O)c2csc(-c3ncccc3F)n2)cc1-c1nnn[n-]1 ZINC000826385460 608667734 /nfs/dbraw/zinc/66/77/34/608667734.db2.gz NKLFYUVLQLHAES-UHFFFAOYSA-N -1 3 392.379 2.648 20 30 GFEDHM N#Cc1ccc(NC(=O)c2csc(-c3ncccc3F)n2)cc1-c1nn[n-]n1 ZINC000826385460 608667736 /nfs/dbraw/zinc/66/77/36/608667736.db2.gz NKLFYUVLQLHAES-UHFFFAOYSA-N -1 3 392.379 2.648 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826379792 609141514 /nfs/dbraw/zinc/14/15/14/609141514.db2.gz BQEASMVUNYKQFY-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826379792 609141515 /nfs/dbraw/zinc/14/15/15/609141515.db2.gz BQEASMVUNYKQFY-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM C#CCCCCCC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000823842169 609141830 /nfs/dbraw/zinc/14/18/30/609141830.db2.gz YESDVGJGAMXABG-UHFFFAOYSA-N -1 3 379.420 2.921 20 30 GFEDHM C#CCCCCCC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000823842169 609141832 /nfs/dbraw/zinc/14/18/32/609141832.db2.gz YESDVGJGAMXABG-UHFFFAOYSA-N -1 3 379.420 2.921 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824034732 609164155 /nfs/dbraw/zinc/16/41/55/609164155.db2.gz OCUSJWWKUJBTPS-NSHDSACASA-N -1 3 381.371 2.618 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824034732 609164157 /nfs/dbraw/zinc/16/41/57/609164157.db2.gz OCUSJWWKUJBTPS-NSHDSACASA-N -1 3 381.371 2.618 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC000826170685 609277825 /nfs/dbraw/zinc/27/78/25/609277825.db2.gz KZOFPPZCWLIVJL-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC000826170685 609277826 /nfs/dbraw/zinc/27/78/26/609277826.db2.gz KZOFPPZCWLIVJL-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM Cn1cc(CN=Nc2c(F)cccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360195 609306727 /nfs/dbraw/zinc/30/67/27/609306727.db2.gz AHUXCYWVLMEDCD-UHFFFAOYSA-N -1 3 380.362 2.991 20 30 GFEDHM Cn1cc(CN=Nc2c(F)cccc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360195 609306728 /nfs/dbraw/zinc/30/67/28/609306728.db2.gz AHUXCYWVLMEDCD-UHFFFAOYSA-N -1 3 380.362 2.991 20 30 GFEDHM COc1ccc2[nH]c3c(c2c1)CC(=NNCc1ccc(-c2nnn[n-]2)cc1)CC3 ZINC000826212487 609449227 /nfs/dbraw/zinc/44/92/27/609449227.db2.gz SDUDYJOYFLDCID-UHFFFAOYSA-N -1 3 387.447 2.991 20 30 GFEDHM COc1ccc2[nH]c3c(c2c1)CC(=NNCc1ccc(-c2nn[n-]n2)cc1)CC3 ZINC000826212487 609449229 /nfs/dbraw/zinc/44/92/29/609449229.db2.gz SDUDYJOYFLDCID-UHFFFAOYSA-N -1 3 387.447 2.991 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826385310 609503268 /nfs/dbraw/zinc/50/32/68/609503268.db2.gz GJPHSZYELPEKSA-UHFFFAOYSA-N -1 3 395.810 2.828 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826385310 609503269 /nfs/dbraw/zinc/50/32/69/609503269.db2.gz GJPHSZYELPEKSA-UHFFFAOYSA-N -1 3 395.810 2.828 20 30 GFEDHM C[C@@H](Nc1ccccc1O[C@@H](C)C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824035519 609504306 /nfs/dbraw/zinc/50/43/06/609504306.db2.gz ZDMVUOCOCTWTQA-QWHCGFSZSA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@@H](Nc1ccccc1O[C@@H](C)C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824035519 609504307 /nfs/dbraw/zinc/50/43/07/609504307.db2.gz ZDMVUOCOCTWTQA-QWHCGFSZSA-N -1 3 377.408 2.597 20 30 GFEDHM C#CCCCCCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823841028 609582408 /nfs/dbraw/zinc/58/24/08/609582408.db2.gz HXOXDPGSGYBOOO-UHFFFAOYSA-N -1 3 382.468 2.652 20 30 GFEDHM C#CCCCCCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823841028 609582409 /nfs/dbraw/zinc/58/24/09/609582409.db2.gz HXOXDPGSGYBOOO-UHFFFAOYSA-N -1 3 382.468 2.652 20 30 GFEDHM N#Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(Cl)c1 ZINC000822833553 660355518 /nfs/dbraw/zinc/35/55/18/660355518.db2.gz RPQGOWLIMKVYFX-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(I)s1 ZINC000907239141 664014714 /nfs/dbraw/zinc/01/47/14/664014714.db2.gz RSZYSACDOURBEC-UHFFFAOYSA-N -1 3 384.264 2.571 20 30 GFEDHM N#CCCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000054138278 654757055 /nfs/dbraw/zinc/75/70/55/654757055.db2.gz BVXAYHSMCWVSBE-UHFFFAOYSA-N -1 3 382.077 2.794 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000270857457 655057934 /nfs/dbraw/zinc/05/79/34/655057934.db2.gz QCGQGEOFFDYMNK-KOLCDFICSA-N -1 3 390.305 2.557 20 30 GFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000119188812 655292302 /nfs/dbraw/zinc/29/23/02/655292302.db2.gz QGLMRPXLFVOZAI-UHFFFAOYSA-N -1 3 382.663 2.744 20 30 GFEDHM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1Br ZINC000195049532 655418725 /nfs/dbraw/zinc/41/87/25/655418725.db2.gz GAMDOKAYHJQVPO-NSHDSACASA-N -1 3 379.235 2.738 20 30 GFEDHM CSc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1Cl ZINC000747345109 655777380 /nfs/dbraw/zinc/77/73/80/655777380.db2.gz KCYLCVXOQICFBY-UHFFFAOYSA-N -1 3 395.893 2.739 20 30 GFEDHM CSCCCCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000756145007 655895620 /nfs/dbraw/zinc/89/56/20/655895620.db2.gz WIYLFEBFLWALBG-CYBMUJFWSA-N -1 3 384.523 2.580 20 30 GFEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)c1ccccc1 ZINC000756973963 655908080 /nfs/dbraw/zinc/90/80/80/655908080.db2.gz DPSGJVSXQRDVMZ-ZDUSSCGKSA-N -1 3 378.837 2.565 20 30 GFEDHM C=CCN(C(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000769638142 656283848 /nfs/dbraw/zinc/28/38/48/656283848.db2.gz KRAQRPXNNVXTOK-UHFFFAOYSA-N -1 3 378.491 2.563 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCc2cccs2)ccc1F ZINC000769750041 656289857 /nfs/dbraw/zinc/28/98/57/656289857.db2.gz XDDYJKUNDIVCFE-UHFFFAOYSA-N -1 3 382.482 2.714 20 30 GFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1 ZINC000776273542 656724896 /nfs/dbraw/zinc/72/48/96/656724896.db2.gz HHOGOBSPUNQIPR-UHFFFAOYSA-N -1 3 393.168 2.961 20 30 GFEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000781768927 657080174 /nfs/dbraw/zinc/08/01/74/657080174.db2.gz GUPRBSUUTRBOEE-UHFFFAOYSA-N -1 3 381.679 2.939 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccc(Cl)cc1F ZINC000796086763 658888024 /nfs/dbraw/zinc/88/80/24/658888024.db2.gz LNNJVFGLQGNYPY-LBPRGKRZSA-N -1 3 376.240 2.827 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(SC)n2)ccc1F ZINC000809223242 659919418 /nfs/dbraw/zinc/91/94/18/659919418.db2.gz MCNWBOHGGJSONW-UHFFFAOYSA-N -1 3 381.454 2.659 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccc(Cl)cc1 ZINC000810099454 659961376 /nfs/dbraw/zinc/96/13/76/659961376.db2.gz JCXOYXKKBUMNHQ-CQSZACIVSA-N -1 3 381.837 2.989 20 30 GFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2nc[n-]c2C(=O)OC)s1 ZINC000847024292 661573475 /nfs/dbraw/zinc/57/34/75/661573475.db2.gz ISMXYNKJXWBDPE-UHFFFAOYSA-N -1 3 386.886 2.987 20 30 GFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2[n-]cnc2C(=O)OC)s1 ZINC000847024292 661573483 /nfs/dbraw/zinc/57/34/83/661573483.db2.gz ISMXYNKJXWBDPE-UHFFFAOYSA-N -1 3 386.886 2.987 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C1CCOCC1 ZINC000851828458 661835852 /nfs/dbraw/zinc/83/58/52/661835852.db2.gz PUOUIBQFKWWBJI-AWEZNQCLSA-N -1 3 390.274 2.603 20 30 GFEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(I)cc2)c1[O-] ZINC000852999102 661878296 /nfs/dbraw/zinc/87/82/96/661878296.db2.gz WAZSUVUTOIUIRC-GIJQJNRQSA-N -1 3 396.228 2.854 20 30 GFEDHM COc1cccc(Br)c1CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000872002765 662751261 /nfs/dbraw/zinc/75/12/61/662751261.db2.gz CTBZSILXQFTAND-ZDUSSCGKSA-N -1 3 375.288 2.815 20 30 GFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000872544127 662776220 /nfs/dbraw/zinc/77/62/20/662776220.db2.gz VVBKFCRAIBNCPF-ZDUSSCGKSA-N -1 3 378.372 2.533 20 30 GFEDHM Cc1cc(Br)c(N2CCN(c3nc(C)cc(=O)[n-]3)CC2)c(C#N)c1 ZINC000895227581 663503797 /nfs/dbraw/zinc/50/37/97/663503797.db2.gz ZHCXOLGEUODDGG-UHFFFAOYSA-N -1 3 388.269 2.760 20 30 GFEDHM CC(C)[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N1CCCS1(=O)=O ZINC000901378947 663734948 /nfs/dbraw/zinc/73/49/48/663734948.db2.gz NAELCOHMIVBLTC-AWEZNQCLSA-N -1 3 395.308 2.771 20 30 GFEDHM COc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc1Br ZINC000901776124 663745725 /nfs/dbraw/zinc/74/57/25/663745725.db2.gz NEPZBCNIQBFZFE-SNVBAGLBSA-N -1 3 387.177 2.581 20 30 GFEDHM C#CCN1CCC(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2C)CC1 ZINC000910085086 664191571 /nfs/dbraw/zinc/19/15/71/664191571.db2.gz YNMSYNCZMXLNSU-UHFFFAOYSA-N -1 3 379.254 2.739 20 30 GFEDHM CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000916155631 664452298 /nfs/dbraw/zinc/45/22/98/664452298.db2.gz OCOSDKNZJNWEPB-FPYGCLRLSA-N -1 3 381.837 2.858 20 30 GFEDHM Cc1nc(C(C)C)sc1C(=O)C[N-]S(=O)(=O)Cc1csc(C#N)c1 ZINC000919693200 664516674 /nfs/dbraw/zinc/51/66/74/664516674.db2.gz KSIXZGRJWZHPSC-UHFFFAOYSA-N -1 3 383.520 2.810 20 30 GFEDHM Cc1ncc(CO)c(/C=N/Cc2cc(Br)c3c(c2)OCCO3)c1[O-] ZINC000920990931 664535219 /nfs/dbraw/zinc/53/52/19/664535219.db2.gz KBJHGGQCTUBURI-UFWORHAWSA-N -1 3 393.237 2.741 20 30 GFEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000921852818 664572428 /nfs/dbraw/zinc/57/24/28/664572428.db2.gz BSZWJVQTLZMXHM-ZDUSSCGKSA-N -1 3 378.372 2.533 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Br)cs1 ZINC000046257564 551149807 /nfs/dbraw/zinc/14/98/07/551149807.db2.gz QPFHRXHUPBKKMW-UHFFFAOYSA-N -1 3 394.294 2.936 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ncc(Cl)cc2Cl)c(F)c1 ZINC000132834615 551379307 /nfs/dbraw/zinc/37/93/07/551379307.db2.gz HPCYTNBDSFUNBU-UHFFFAOYSA-N -1 3 390.223 2.756 20 30 GFEDHM N#CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000153725809 551459459 /nfs/dbraw/zinc/45/94/59/551459459.db2.gz RDKURFHDHCYKRZ-ZDUSSCGKSA-N -1 3 397.909 2.841 20 30 GFEDHM COCCOc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000156583458 551525592 /nfs/dbraw/zinc/52/55/92/551525592.db2.gz HRBUYIFVOSRFNT-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2 ZINC000157107511 551533278 /nfs/dbraw/zinc/53/32/78/551533278.db2.gz IKPIYGGDGUBLGG-UHFFFAOYSA-N -1 3 379.482 2.944 20 30 GFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000180847110 552237843 /nfs/dbraw/zinc/23/78/43/552237843.db2.gz OWULNTADTJMMFY-CYBMUJFWSA-N -1 3 392.518 2.999 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416534090 563844603 /nfs/dbraw/zinc/84/46/03/563844603.db2.gz YEXWQOGOKPMFLJ-DOMZBBRYSA-N -1 3 385.283 2.580 20 30 GFEDHM COCC1CCC([N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000416592358 563850796 /nfs/dbraw/zinc/85/07/96/563850796.db2.gz MSWLZOKSRPJJDG-UHFFFAOYSA-N -1 3 387.299 2.804 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000330674996 563517652 /nfs/dbraw/zinc/51/76/52/563517652.db2.gz RFACLDBWTQBEIV-UHFFFAOYSA-N -1 3 386.271 2.693 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000280772778 563353386 /nfs/dbraw/zinc/35/33/86/563353386.db2.gz OOYRDFBSKRHWGW-BDJLRTHQSA-N -1 3 390.864 2.697 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Br ZINC000428236436 563485878 /nfs/dbraw/zinc/48/58/78/563485878.db2.gz HHTVWGUTWSIXPQ-ZDUSSCGKSA-N -1 3 378.251 2.682 20 30 GFEDHM CC[C@](C)(COc1ncccc1Cl)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428373414 563488405 /nfs/dbraw/zinc/48/84/05/563488405.db2.gz LCLACKIWAFBVHC-MRXNPFEDSA-N -1 3 380.857 2.528 20 30 GFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000285034207 563499445 /nfs/dbraw/zinc/49/94/45/563499445.db2.gz IOLWFCCRAUCJAD-SBDDDAINSA-N -1 3 375.313 2.984 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC(=O)Nc3ccccc32)c(Cl)c1 ZINC000378609407 563512189 /nfs/dbraw/zinc/51/21/89/563512189.db2.gz TZGOCLUONKLYIO-GFCCVEGCSA-N -1 3 375.837 2.616 20 30 GFEDHM Cc1cnc(S(C)(=O)=O)nc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000410619597 563594252 /nfs/dbraw/zinc/59/42/52/563594252.db2.gz PMINYJNWEHADMP-UHFFFAOYSA-N -1 3 378.479 2.672 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000287927311 563623202 /nfs/dbraw/zinc/62/32/02/563623202.db2.gz UXQVAGRDZORYHO-BXUZGUMPSA-N -1 3 385.283 2.557 20 30 GFEDHM C=C(CC)CNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000412399663 563656342 /nfs/dbraw/zinc/65/63/42/563656342.db2.gz APCZXIZWIRZAOS-UHFFFAOYSA-N -1 3 384.807 2.720 20 30 GFEDHM N#Cc1c(Br)cccc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000439965303 563733323 /nfs/dbraw/zinc/73/33/23/563733323.db2.gz GCZSDNCZTJSGEP-UHFFFAOYSA-N -1 3 386.249 2.989 20 30 GFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000414449947 563739255 /nfs/dbraw/zinc/73/92/55/563739255.db2.gz DRKYOMGHCNJQMT-GFCCVEGCSA-N -1 3 381.292 2.820 20 30 GFEDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000414467086 563741585 /nfs/dbraw/zinc/74/15/85/563741585.db2.gz VYFZJPHOTYTYMZ-RDJZCZTQSA-N -1 3 375.881 2.588 20 30 GFEDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(C#N)cc1 ZINC000442108709 563768416 /nfs/dbraw/zinc/76/84/16/563768416.db2.gz BEWHJXIJLFWPDA-GFCCVEGCSA-N -1 3 381.860 2.980 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1Cl ZINC000443022942 563787906 /nfs/dbraw/zinc/78/79/06/563787906.db2.gz XEXQPSNGPCXJER-UHFFFAOYSA-N -1 3 398.271 2.573 20 30 GFEDHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416453014 563830857 /nfs/dbraw/zinc/83/08/57/563830857.db2.gz QGWDUMRVIUGAPD-UHFFFAOYSA-N -1 3 397.298 2.652 20 30 GFEDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)cn1 ZINC000416494041 563838533 /nfs/dbraw/zinc/83/85/33/563838533.db2.gz HJPWWKCHYHBWNV-SNVBAGLBSA-N -1 3 383.271 2.577 20 30 GFEDHM C=CCN(C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000563788732 564206920 /nfs/dbraw/zinc/20/69/20/564206920.db2.gz YYEHQUPFNDTERT-UHFFFAOYSA-N -1 3 396.818 2.814 20 30 GFEDHM COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c1 ZINC000566312848 564321632 /nfs/dbraw/zinc/32/16/32/564321632.db2.gz WVGGJPFJLIITJV-UHFFFAOYSA-N -1 3 397.268 2.671 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000566942563 564350434 /nfs/dbraw/zinc/35/04/34/564350434.db2.gz WAVRSJIMCRBVNE-QAPCUYQASA-N -1 3 376.865 2.656 20 30 GFEDHM N#Cc1cc(F)c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c(F)c1 ZINC000511373671 564369785 /nfs/dbraw/zinc/36/97/85/564369785.db2.gz ZAOJTKMGRKOUED-UHFFFAOYSA-N -1 3 377.148 2.921 20 30 GFEDHM C=C(C)CS(=O)(=O)[N-][C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000477483822 564378667 /nfs/dbraw/zinc/37/86/67/564378667.db2.gz XHNMNCHJNXEAIN-CQSZACIVSA-N -1 3 380.293 2.963 20 30 GFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000567720090 564385141 /nfs/dbraw/zinc/38/51/41/564385141.db2.gz WKVCNAUIDMAFFL-KCQAQPDRSA-N -1 3 384.885 2.726 20 30 GFEDHM CN(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(F)(F)F ZINC000482188762 564537375 /nfs/dbraw/zinc/53/73/75/564537375.db2.gz SACXMWHYUDBBBS-UHFFFAOYSA-N -1 3 382.301 2.617 20 30 GFEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548500568 564554405 /nfs/dbraw/zinc/55/44/05/564554405.db2.gz XSICGAHNOJPMOM-UHFFFAOYSA-N -1 3 397.248 2.972 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000548825198 564576874 /nfs/dbraw/zinc/57/68/74/564576874.db2.gz JJEFBYHKAAOIJT-MRXNPFEDSA-N -1 3 382.894 2.953 20 30 GFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@](C)(C#N)CSC)c1 ZINC000552040367 564674417 /nfs/dbraw/zinc/67/44/17/564674417.db2.gz SAMIJZPQBJXEOZ-CYBMUJFWSA-N -1 3 393.328 2.522 20 30 GFEDHM N#CC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000553586034 564728467 /nfs/dbraw/zinc/72/84/67/564728467.db2.gz KOCWDMCXNAVYTF-UHFFFAOYSA-N -1 3 390.292 2.614 20 30 GFEDHM N#CCC1(C[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000553896834 564744237 /nfs/dbraw/zinc/74/42/37/564744237.db2.gz YPKUAICCZLLPDF-UHFFFAOYSA-N -1 3 380.267 2.969 20 30 GFEDHM Cc1nsc(N2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)c1C#N ZINC000461192506 564791936 /nfs/dbraw/zinc/79/19/36/564791936.db2.gz IVMCBWZQNPKYFK-UHFFFAOYSA-N -1 3 376.869 2.574 20 30 GFEDHM C=C[C@@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000558954831 564918570 /nfs/dbraw/zinc/91/85/70/564918570.db2.gz OVZQOPYPCYLTGR-CYBMUJFWSA-N -1 3 389.880 2.508 20 30 GFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1Oc1ccccc1 ZINC000584210201 564924976 /nfs/dbraw/zinc/92/49/76/564924976.db2.gz VZTWWHPNXLUTOY-INMHGKMJSA-N -1 3 378.475 2.523 20 30 GFEDHM COc1ccccc1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000559640259 564938198 /nfs/dbraw/zinc/93/81/98/564938198.db2.gz YBWHFJKDUOYIEP-UHFFFAOYSA-N -1 3 381.251 2.808 20 30 GFEDHM COCC1(C#N)CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000500142493 564946768 /nfs/dbraw/zinc/94/67/68/564946768.db2.gz IRPUODFHYZLQRS-UHFFFAOYSA-N -1 3 382.258 2.616 20 30 GFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(Br)c1 ZINC000562264643 565021771 /nfs/dbraw/zinc/02/17/71/565021771.db2.gz PRNJUAIQBOORKV-UHFFFAOYSA-N -1 3 395.234 2.908 20 30 GFEDHM CC1CCN([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)c2cccs2)CC1 ZINC000562871642 565046220 /nfs/dbraw/zinc/04/62/20/565046220.db2.gz QUECBRBZWYDLIA-HNNXBMFYSA-N -1 3 379.507 2.964 20 30 GFEDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1OC ZINC000585729963 565106491 /nfs/dbraw/zinc/10/64/91/565106491.db2.gz XDPYOSFBLHVLGP-INIZCTEOSA-N -1 3 388.873 2.742 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000588116074 565126318 /nfs/dbraw/zinc/12/63/18/565126318.db2.gz NBTLGLHHWGLTNV-AWEZNQCLSA-N -1 3 393.262 2.992 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000588144701 565129120 /nfs/dbraw/zinc/12/91/20/565129120.db2.gz RWPNZZGWEXRRTL-ZDUSSCGKSA-N -1 3 385.272 2.919 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000593571540 565342906 /nfs/dbraw/zinc/34/29/06/565342906.db2.gz UTQWTGWUUZKORU-CJNGLKHVSA-N -1 3 381.910 2.997 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCCO1 ZINC000594489237 565396864 /nfs/dbraw/zinc/39/68/64/565396864.db2.gz XPWNKZPSIZQLHK-KGLIPLIRSA-N -1 3 387.299 2.947 20 30 GFEDHM CCC(C#N)(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000599930856 565706640 /nfs/dbraw/zinc/70/66/40/565706640.db2.gz UEQGRWCCBPILQU-UHFFFAOYSA-N -1 3 392.308 2.718 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccs1 ZINC000611538608 566135128 /nfs/dbraw/zinc/13/51/28/566135128.db2.gz UXSXFFALRKTVTJ-LBPRGKRZSA-N -1 3 384.866 2.856 20 30 GFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000657036348 566210219 /nfs/dbraw/zinc/21/02/19/566210219.db2.gz FBEJILAYDWPXJN-SWLSCSKDSA-N -1 3 375.487 2.642 20 30 GFEDHM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000657037343 566210812 /nfs/dbraw/zinc/21/08/12/566210812.db2.gz XTCSSDQFTGQXRB-IUODEOHRSA-N -1 3 390.502 2.610 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cn2ccccc2c1C#N ZINC000737522910 598826725 /nfs/dbraw/zinc/82/67/25/598826725.db2.gz FIBFVVGQGIQKNU-UHFFFAOYSA-N -1 3 381.403 2.606 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cn2ccccc2c1C#N ZINC000737522910 598826727 /nfs/dbraw/zinc/82/67/27/598826727.db2.gz FIBFVVGQGIQKNU-UHFFFAOYSA-N -1 3 381.403 2.606 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000735419906 598879196 /nfs/dbraw/zinc/87/91/96/598879196.db2.gz JMTQZLVWUSPPKF-LBPRGKRZSA-N -1 3 381.440 2.930 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000735419906 598879197 /nfs/dbraw/zinc/87/91/97/598879197.db2.gz JMTQZLVWUSPPKF-LBPRGKRZSA-N -1 3 381.440 2.930 20 30 GFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1ccc(C#N)cc1 ZINC000736038523 598884583 /nfs/dbraw/zinc/88/45/83/598884583.db2.gz VRCLTQQBBFYOBN-CQSZACIVSA-N -1 3 377.404 2.682 20 30 GFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1ccc(C#N)cc1 ZINC000736038523 598884585 /nfs/dbraw/zinc/88/45/85/598884585.db2.gz VRCLTQQBBFYOBN-CQSZACIVSA-N -1 3 377.404 2.682 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000737718802 598918814 /nfs/dbraw/zinc/91/88/14/598918814.db2.gz NAJSYMAEXPUVMZ-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000737718802 598918815 /nfs/dbraw/zinc/91/88/15/598918815.db2.gz NAJSYMAEXPUVMZ-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736235909 598920746 /nfs/dbraw/zinc/92/07/46/598920746.db2.gz PUKKHQRHKBEOKI-PIGZYNQJSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000736235909 598920748 /nfs/dbraw/zinc/92/07/48/598920748.db2.gz PUKKHQRHKBEOKI-PIGZYNQJSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736235906 598921031 /nfs/dbraw/zinc/92/10/31/598921031.db2.gz PUKKHQRHKBEOKI-APPDUMDISA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000736235906 598921032 /nfs/dbraw/zinc/92/10/32/598921032.db2.gz PUKKHQRHKBEOKI-APPDUMDISA-N -1 3 387.403 2.585 20 30 GFEDHM N#Cc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)ccc1-c1nnn[n-]1 ZINC000737709966 598928706 /nfs/dbraw/zinc/92/87/06/598928706.db2.gz PARZJUGUUOFUQB-UHFFFAOYSA-N -1 3 396.414 2.665 20 30 GFEDHM N#Cc1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)ccc1-c1nn[n-]n1 ZINC000737709966 598928708 /nfs/dbraw/zinc/92/87/08/598928708.db2.gz PARZJUGUUOFUQB-UHFFFAOYSA-N -1 3 396.414 2.665 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735693302 599031136 /nfs/dbraw/zinc/03/11/36/599031136.db2.gz YVUHFQSYBQAEKK-SFHVURJKSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735693302 599031138 /nfs/dbraw/zinc/03/11/38/599031138.db2.gz YVUHFQSYBQAEKK-SFHVURJKSA-N -1 3 376.420 2.724 20 30 GFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1cc(C#N)ccc1F ZINC000822204209 599074223 /nfs/dbraw/zinc/07/42/23/599074223.db2.gz HYYXIPSCWOEZJO-UHFFFAOYSA-N -1 3 377.358 2.907 20 30 GFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1cc(C#N)ccc1F ZINC000822204209 599074225 /nfs/dbraw/zinc/07/42/25/599074225.db2.gz HYYXIPSCWOEZJO-UHFFFAOYSA-N -1 3 377.358 2.907 20 30 GFEDHM Cc1c(C(C)N=Nc2nc(C)cc(C)n2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735451185 599148184 /nfs/dbraw/zinc/14/81/84/599148184.db2.gz SAPCBJLXEVFFCD-UHFFFAOYSA-N -1 3 388.439 2.604 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000737716874 599195437 /nfs/dbraw/zinc/19/54/37/599195437.db2.gz WJQBQVDFSYEOSA-UHFFFAOYSA-N -1 3 389.238 2.744 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccc(Br)s2)cc1-c1nn[n-]n1 ZINC000737716874 599195440 /nfs/dbraw/zinc/19/54/40/599195440.db2.gz WJQBQVDFSYEOSA-UHFFFAOYSA-N -1 3 389.238 2.744 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000737033415 599202722 /nfs/dbraw/zinc/20/27/22/599202722.db2.gz OOEKHCLTKBFDDJ-VLIAUNLRSA-N -1 3 398.467 2.623 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000737033415 599202725 /nfs/dbraw/zinc/20/27/25/599202725.db2.gz OOEKHCLTKBFDDJ-VLIAUNLRSA-N -1 3 398.467 2.623 20 30 GFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820690556 607301201 /nfs/dbraw/zinc/30/12/01/607301201.db2.gz NYHZWVWVCGYIAV-JLTOFOAXSA-N -1 3 395.467 2.564 20 30 GFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820690556 607301202 /nfs/dbraw/zinc/30/12/02/607301202.db2.gz NYHZWVWVCGYIAV-JLTOFOAXSA-N -1 3 395.467 2.564 20 30 GFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000820087322 599283348 /nfs/dbraw/zinc/28/33/48/599283348.db2.gz PQZFHKMHPKLHTD-UHFFFAOYSA-N -1 3 393.455 2.667 20 30 GFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000820087322 599283350 /nfs/dbraw/zinc/28/33/50/599283350.db2.gz PQZFHKMHPKLHTD-UHFFFAOYSA-N -1 3 393.455 2.667 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819709623 599285866 /nfs/dbraw/zinc/28/58/66/599285866.db2.gz MMAWDQSBNSCERZ-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819709623 599285868 /nfs/dbraw/zinc/28/58/68/599285868.db2.gz MMAWDQSBNSCERZ-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM N#Cc1ccc(F)c(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737718152 598249793 /nfs/dbraw/zinc/24/97/93/598249793.db2.gz KGISQMWCENUUDK-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1ccc(F)c(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737718152 598249795 /nfs/dbraw/zinc/24/97/95/598249795.db2.gz KGISQMWCENUUDK-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737717118 598574771 /nfs/dbraw/zinc/57/47/71/598574771.db2.gz YZJFZVAPASUMPR-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736102075 598576813 /nfs/dbraw/zinc/57/68/13/598576813.db2.gz QQPTVYRZSNIZNS-AUUYWEPGSA-N -1 3 387.447 2.585 20 30 GFEDHM N#Cc1ccc(F)c(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737718249 598620534 /nfs/dbraw/zinc/62/05/34/598620534.db2.gz MWSGUUJRUIAXBY-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000737001981 598626196 /nfs/dbraw/zinc/62/61/96/598626196.db2.gz IGMZEJVAXTWNDX-UHFFFAOYSA-N -1 3 395.398 2.558 20 30 GFEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000737001981 598626198 /nfs/dbraw/zinc/62/61/98/598626198.db2.gz IGMZEJVAXTWNDX-UHFFFAOYSA-N -1 3 395.398 2.558 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737065761 598655994 /nfs/dbraw/zinc/65/59/94/598655994.db2.gz NQBCNSRXIMROSQ-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737065761 598655995 /nfs/dbraw/zinc/65/59/95/598655995.db2.gz NQBCNSRXIMROSQ-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM N#Cc1cn(CCOc2cccc(-c3nnn[n-]3)c2)c2ccc(Cl)cc2c1=O ZINC000737728487 598721106 /nfs/dbraw/zinc/72/11/06/598721106.db2.gz PPOFOZRKUPNUPO-UHFFFAOYSA-N -1 3 392.806 2.786 20 30 GFEDHM N#Cc1cn(CCOc2cccc(-c3nn[n-]n3)c2)c2ccc(Cl)cc2c1=O ZINC000737728487 598721108 /nfs/dbraw/zinc/72/11/08/598721108.db2.gz PPOFOZRKUPNUPO-UHFFFAOYSA-N -1 3 392.806 2.786 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822802310 599342603 /nfs/dbraw/zinc/34/26/03/599342603.db2.gz ZCRGDBQWLQTSKZ-KRWDZBQOSA-N -1 3 381.390 2.532 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822802310 599342605 /nfs/dbraw/zinc/34/26/05/599342605.db2.gz ZCRGDBQWLQTSKZ-KRWDZBQOSA-N -1 3 381.390 2.532 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(-n2cccn2)cc1 ZINC000737807063 599464025 /nfs/dbraw/zinc/46/40/25/599464025.db2.gz NGFKPVSWZNIVTF-FPLPWBNLSA-N -1 3 382.387 2.596 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(-n2cccn2)cc1 ZINC000737807063 599464027 /nfs/dbraw/zinc/46/40/27/599464027.db2.gz NGFKPVSWZNIVTF-FPLPWBNLSA-N -1 3 382.387 2.596 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3c(Cl)cccc3-c3nnn[n-]3)CC2)nc1 ZINC000822829756 599522947 /nfs/dbraw/zinc/52/29/47/599522947.db2.gz HRPKIVNDMZREJT-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3c(Cl)cccc3-c3nn[n-]n3)CC2)nc1 ZINC000822829756 599522949 /nfs/dbraw/zinc/52/29/49/599522949.db2.gz HRPKIVNDMZREJT-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#CCC1(COC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822805630 599626404 /nfs/dbraw/zinc/62/64/04/599626404.db2.gz AHPCNLYMJMWRCA-UHFFFAOYSA-N -1 3 379.376 2.889 20 30 GFEDHM N#CCC1(COC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822805630 599626405 /nfs/dbraw/zinc/62/64/05/599626405.db2.gz AHPCNLYMJMWRCA-UHFFFAOYSA-N -1 3 379.376 2.889 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000820161371 607398346 /nfs/dbraw/zinc/39/83/46/607398346.db2.gz WYSHDUBJGGKDHY-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000820161371 607398348 /nfs/dbraw/zinc/39/83/48/607398348.db2.gz WYSHDUBJGGKDHY-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000822923773 607460682 /nfs/dbraw/zinc/46/06/82/607460682.db2.gz UEPAXGBFLOYHGK-YVMONPNESA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000822923773 607460683 /nfs/dbraw/zinc/46/06/83/607460683.db2.gz UEPAXGBFLOYHGK-YVMONPNESA-N -1 3 379.351 2.859 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)[C@@H](C)C2)cc1 ZINC000831389339 601314119 /nfs/dbraw/zinc/31/41/19/601314119.db2.gz GKDNYZAFMIONFR-YWZLYKJASA-N -1 3 393.443 2.681 20 30 GFEDHM CC(C)C[C@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC000824229552 607530113 /nfs/dbraw/zinc/53/01/13/607530113.db2.gz SBXXDVCZXURXDR-MRXNPFEDSA-N -1 3 387.488 2.882 20 30 GFEDHM CC(C)C[C@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000824229552 607530114 /nfs/dbraw/zinc/53/01/14/607530114.db2.gz SBXXDVCZXURXDR-MRXNPFEDSA-N -1 3 387.488 2.882 20 30 GFEDHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)cc1C#N ZINC000826203427 607559234 /nfs/dbraw/zinc/55/92/34/607559234.db2.gz NMEOEZJJMGUTIE-UHFFFAOYSA-N -1 3 389.394 2.777 20 30 GFEDHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)cc1C#N ZINC000826203427 607559235 /nfs/dbraw/zinc/55/92/35/607559235.db2.gz NMEOEZJJMGUTIE-UHFFFAOYSA-N -1 3 389.394 2.777 20 30 GFEDHM C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(NC(=O)[O-])CC3)sc2C1 ZINC000739113609 602374957 /nfs/dbraw/zinc/37/49/57/602374957.db2.gz KNUBXLHTVAQTCC-LBPRGKRZSA-N -1 3 390.509 2.805 20 30 GFEDHM COc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826204185 607613176 /nfs/dbraw/zinc/61/31/76/607613176.db2.gz ATEJQKOZSMKRHR-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM COc1ccc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826204185 607613177 /nfs/dbraw/zinc/61/31/77/607613177.db2.gz ATEJQKOZSMKRHR-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCC1 ZINC000819933258 606148574 /nfs/dbraw/zinc/14/85/74/606148574.db2.gz LJMZMCQTIOYVLW-UHFFFAOYSA-N -1 3 397.439 2.514 20 30 GFEDHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCC1 ZINC000819933258 606148576 /nfs/dbraw/zinc/14/85/76/606148576.db2.gz LJMZMCQTIOYVLW-UHFFFAOYSA-N -1 3 397.439 2.514 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000820549998 606182692 /nfs/dbraw/zinc/18/26/92/606182692.db2.gz ULHCSMGYOVETOP-HOCLYGCPSA-N -1 3 377.404 2.560 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000820549998 606182693 /nfs/dbraw/zinc/18/26/93/606182693.db2.gz ULHCSMGYOVETOP-HOCLYGCPSA-N -1 3 377.404 2.560 20 30 GFEDHM C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000819698380 606199320 /nfs/dbraw/zinc/19/93/20/606199320.db2.gz YCZMTTFOSKGUMM-UHFFFAOYSA-N -1 3 398.467 2.758 20 30 GFEDHM C#CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000819698380 606199322 /nfs/dbraw/zinc/19/93/22/606199322.db2.gz YCZMTTFOSKGUMM-UHFFFAOYSA-N -1 3 398.467 2.758 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000819745941 606381341 /nfs/dbraw/zinc/38/13/41/606381341.db2.gz VXCVZGMOYPZEKH-UHFFFAOYSA-N -1 3 388.382 2.548 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000819745941 606381343 /nfs/dbraw/zinc/38/13/43/606381343.db2.gz VXCVZGMOYPZEKH-UHFFFAOYSA-N -1 3 388.382 2.548 20 30 GFEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821337423 606388971 /nfs/dbraw/zinc/38/89/71/606388971.db2.gz GLNKWXQBOZAYSA-NTMALXAHSA-N -1 3 383.433 2.954 20 30 GFEDHM N#Cc1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)ccc1Cl ZINC000822822745 606793336 /nfs/dbraw/zinc/79/33/36/606793336.db2.gz DUNGGRSXLQIGMV-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)ccc1Cl ZINC000822822745 606793338 /nfs/dbraw/zinc/79/33/38/606793338.db2.gz DUNGGRSXLQIGMV-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM C=CCC(CC=C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000819733829 606988007 /nfs/dbraw/zinc/98/80/07/606988007.db2.gz BUBNOKZPQJLULF-UHFFFAOYSA-N -1 3 382.468 2.535 20 30 GFEDHM C=CCC(CC=C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000819733829 606988008 /nfs/dbraw/zinc/98/80/08/606988008.db2.gz BUBNOKZPQJLULF-UHFFFAOYSA-N -1 3 382.468 2.535 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820315221 606991895 /nfs/dbraw/zinc/99/18/95/606991895.db2.gz MGZXGASQMWXLJC-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820315221 606991896 /nfs/dbraw/zinc/99/18/96/606991896.db2.gz MGZXGASQMWXLJC-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822829727 606999043 /nfs/dbraw/zinc/99/90/43/606999043.db2.gz GIJCNIWIHMXPJZ-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822829727 606999044 /nfs/dbraw/zinc/99/90/44/606999044.db2.gz GIJCNIWIHMXPJZ-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nnn[n-]1 ZINC000822015484 607087834 /nfs/dbraw/zinc/08/78/34/607087834.db2.gz KNBBZCCROWJFKM-GFCCVEGCSA-N -1 3 384.488 2.573 20 30 GFEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nn[n-]n1 ZINC000822015484 607087836 /nfs/dbraw/zinc/08/78/36/607087836.db2.gz KNBBZCCROWJFKM-GFCCVEGCSA-N -1 3 384.488 2.573 20 30 GFEDHM C#CCOc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819709601 607088626 /nfs/dbraw/zinc/08/86/26/607088626.db2.gz LKLCNWOBNPBTEV-UHFFFAOYSA-N -1 3 378.388 2.642 20 30 GFEDHM C#CCOc1cccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819709601 607088628 /nfs/dbraw/zinc/08/86/28/607088628.db2.gz LKLCNWOBNPBTEV-UHFFFAOYSA-N -1 3 378.388 2.642 20 30 GFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825422 607098634 /nfs/dbraw/zinc/09/86/34/607098634.db2.gz FGAALPWCAGNKPV-IEESQIRDSA-N -1 3 381.442 2.928 20 30 GFEDHM C[C@H](C#N)CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000824034443 607823839 /nfs/dbraw/zinc/82/38/39/607823839.db2.gz JXCHQAWBURFEIE-CYBMUJFWSA-N -1 3 392.419 2.803 20 30 GFEDHM N#Cc1ccc(SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826385808 607846095 /nfs/dbraw/zinc/84/60/95/607846095.db2.gz BOYNXXPQCLPMCS-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM N#Cc1ccc(SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826385808 607846096 /nfs/dbraw/zinc/84/60/96/607846096.db2.gz BOYNXXPQCLPMCS-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)c1ccc(C#N)cc1F ZINC000826334770 607848338 /nfs/dbraw/zinc/84/83/38/607848338.db2.gz ITFCSKOQBPWHDM-UHFFFAOYSA-N -1 3 389.398 2.538 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)c1ccc(C#N)cc1F ZINC000826334770 607848339 /nfs/dbraw/zinc/84/83/39/607848339.db2.gz ITFCSKOQBPWHDM-UHFFFAOYSA-N -1 3 389.398 2.538 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826162414 607884135 /nfs/dbraw/zinc/88/41/35/607884135.db2.gz AVUDZVUDRXLKMG-VQHVLOKHSA-N -1 3 380.404 2.797 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000826162414 607884136 /nfs/dbraw/zinc/88/41/36/607884136.db2.gz AVUDZVUDRXLKMG-VQHVLOKHSA-N -1 3 380.404 2.797 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000823855884 607885618 /nfs/dbraw/zinc/88/56/18/607885618.db2.gz CJAKGCQYADHTMX-UHFFFAOYSA-N -1 3 377.404 2.946 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000823855884 607885619 /nfs/dbraw/zinc/88/56/19/607885619.db2.gz CJAKGCQYADHTMX-UHFFFAOYSA-N -1 3 377.404 2.946 20 30 GFEDHM CN(C)c1ncc(C=[NH+][N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000825882969 607888649 /nfs/dbraw/zinc/88/86/49/607888649.db2.gz AGOBVZODCPBZDZ-UHFFFAOYSA-N -1 3 382.375 2.854 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ncc(Br)s1 ZINC000823953590 607930961 /nfs/dbraw/zinc/93/09/61/607930961.db2.gz IHDVKWPZWTYTDU-UHFFFAOYSA-N -1 3 378.259 2.600 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ncc(Br)s1 ZINC000823953590 607930962 /nfs/dbraw/zinc/93/09/62/607930962.db2.gz IHDVKWPZWTYTDU-UHFFFAOYSA-N -1 3 378.259 2.600 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000825318550 608023273 /nfs/dbraw/zinc/02/32/73/608023273.db2.gz PCGFTMSPNIZIRP-UHFFFAOYSA-N -1 3 390.447 2.750 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000825318550 608023274 /nfs/dbraw/zinc/02/32/74/608023274.db2.gz PCGFTMSPNIZIRP-UHFFFAOYSA-N -1 3 390.447 2.750 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCO2)c1 ZINC000826386368 608052693 /nfs/dbraw/zinc/05/26/93/608052693.db2.gz AZUQXVZUWFBWRN-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCO2)c1 ZINC000826386368 608052694 /nfs/dbraw/zinc/05/26/94/608052694.db2.gz AZUQXVZUWFBWRN-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM C[C@@]1(C#N)CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824776610 608140150 /nfs/dbraw/zinc/14/01/50/608140150.db2.gz CYCUTCOKLNBDPR-FQEVSTJZSA-N -1 3 392.419 2.805 20 30 GFEDHM C[C@@]1(C#N)CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824776610 608140151 /nfs/dbraw/zinc/14/01/51/608140151.db2.gz CYCUTCOKLNBDPR-FQEVSTJZSA-N -1 3 392.419 2.805 20 30 GFEDHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000824114028 608159364 /nfs/dbraw/zinc/15/93/64/608159364.db2.gz IDDCZUASRSOOIX-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000824114028 608159365 /nfs/dbraw/zinc/15/93/65/608159365.db2.gz IDDCZUASRSOOIX-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM N#Cc1ccc2nc(NC3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)ccc2c1 ZINC000826386702 608227107 /nfs/dbraw/zinc/22/71/07/608227107.db2.gz PDWGXWMUZCGFQT-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1ccc2nc(NC3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)ccc2c1 ZINC000826386702 608227109 /nfs/dbraw/zinc/22/71/09/608227109.db2.gz PDWGXWMUZCGFQT-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1c(Cl)nsc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383407 608410306 /nfs/dbraw/zinc/41/03/06/608410306.db2.gz ZCGPFJBKQWUZLO-UHFFFAOYSA-N -1 3 383.828 2.850 20 30 GFEDHM N#Cc1c(Cl)nsc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383407 608410307 /nfs/dbraw/zinc/41/03/07/608410307.db2.gz ZCGPFJBKQWUZLO-UHFFFAOYSA-N -1 3 383.828 2.850 20 30 GFEDHM N#Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384752 608478898 /nfs/dbraw/zinc/47/88/98/608478898.db2.gz ICGKAGNPMNKXGQ-UHFFFAOYSA-N -1 3 384.443 2.987 20 30 GFEDHM N#Cc1ccc(CCC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384752 608478901 /nfs/dbraw/zinc/47/89/01/608478901.db2.gz ICGKAGNPMNKXGQ-UHFFFAOYSA-N -1 3 384.443 2.987 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826379931 609141850 /nfs/dbraw/zinc/14/18/50/609141850.db2.gz HESYAHXFAAVEMC-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826379931 609141852 /nfs/dbraw/zinc/14/18/52/609141852.db2.gz HESYAHXFAAVEMC-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM N#CCc1ccccc1CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826382875 609156569 /nfs/dbraw/zinc/15/65/69/609156569.db2.gz YQZWBYLPLCTLPD-UHFFFAOYSA-N -1 3 392.488 2.525 20 30 GFEDHM N#CCc1ccccc1CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826382875 609156570 /nfs/dbraw/zinc/15/65/70/609156570.db2.gz YQZWBYLPLCTLPD-UHFFFAOYSA-N -1 3 392.488 2.525 20 30 GFEDHM CC(=NNc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962115 609160785 /nfs/dbraw/zinc/16/07/85/609160785.db2.gz FOEPTXVNXRQTNS-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM CC(=NNc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962115 609160787 /nfs/dbraw/zinc/16/07/87/609160787.db2.gz FOEPTXVNXRQTNS-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824135838 609226019 /nfs/dbraw/zinc/22/60/19/609226019.db2.gz IZKFOKWCPCAFEI-MSOLQXFVSA-N -1 3 390.447 2.579 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135838 609226020 /nfs/dbraw/zinc/22/60/20/609226020.db2.gz IZKFOKWCPCAFEI-MSOLQXFVSA-N -1 3 390.447 2.579 20 30 GFEDHM N#CCc1ccccc1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826382515 609244645 /nfs/dbraw/zinc/24/46/45/609244645.db2.gz HXKOXFMUCWMYEI-UHFFFAOYSA-N -1 3 399.357 2.820 20 30 GFEDHM N#CCc1ccccc1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826382515 609244648 /nfs/dbraw/zinc/24/46/48/609244648.db2.gz HXKOXFMUCWMYEI-UHFFFAOYSA-N -1 3 399.357 2.820 20 30 GFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1-n1cncn1 ZINC000826266306 609272340 /nfs/dbraw/zinc/27/23/40/609272340.db2.gz KGDPDCMOXFZUBH-XVNBXDOJSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1-n1cncn1 ZINC000826266306 609272341 /nfs/dbraw/zinc/27/23/41/609272341.db2.gz KGDPDCMOXFZUBH-XVNBXDOJSA-N -1 3 375.367 2.791 20 30 GFEDHM C=CCCOCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823899002 609291573 /nfs/dbraw/zinc/29/15/73/609291573.db2.gz HNKLNEZFOAJNTG-UHFFFAOYSA-N -1 3 399.430 2.893 20 30 GFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(c(Br)c1)OCO2 ZINC000138844778 655043725 /nfs/dbraw/zinc/04/37/25/655043725.db2.gz FLFWFBLBCADOHJ-JTQLQIEISA-N -1 3 388.177 2.534 20 30 GFEDHM N#CCOc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151593544 655052942 /nfs/dbraw/zinc/05/29/42/655052942.db2.gz FHFVJLJNDSRDJX-UHFFFAOYSA-N -1 3 375.222 2.916 20 30 GFEDHM Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)nn1CCC#N ZINC000272066238 655101770 /nfs/dbraw/zinc/10/17/70/655101770.db2.gz JOSKHXITSWHGFJ-UHFFFAOYSA-N -1 3 378.230 2.895 20 30 GFEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1Cl ZINC000112266778 655186035 /nfs/dbraw/zinc/18/60/35/655186035.db2.gz TWMSZVSUCKYTCH-UHFFFAOYSA-N -1 3 376.825 2.542 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccnc(Cl)c2)ccc1F ZINC000726199195 655532064 /nfs/dbraw/zinc/53/20/64/655532064.db2.gz BNFBXILWKOTJSV-UHFFFAOYSA-N -1 3 384.816 2.695 20 30 GFEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000747712841 655782326 /nfs/dbraw/zinc/78/23/26/655782326.db2.gz HDXDRHIXALLXFW-PQQLAPNWSA-N -1 3 383.267 2.982 20 30 GFEDHM Cc1nn2c(C=N[N-]S(=O)(=O)Cc3ccccc3)c(C(C)C)nc2s1 ZINC000766698060 656180263 /nfs/dbraw/zinc/18/02/63/656180263.db2.gz PKQNBXCJAZCCSF-UHFFFAOYSA-N -1 3 377.495 2.676 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCCO1 ZINC000790280259 657948017 /nfs/dbraw/zinc/94/80/17/657948017.db2.gz VFKKHYVFBASHPL-WDEREUQCSA-N -1 3 378.675 2.562 20 30 GFEDHM C=CCCC(=O)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795781529 658850084 /nfs/dbraw/zinc/85/00/84/658850084.db2.gz MBYZVYHONYFHSM-UHFFFAOYSA-N -1 3 379.356 2.769 20 30 GFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805137654 659748724 /nfs/dbraw/zinc/74/87/24/659748724.db2.gz RZYBQEWRHRAQAC-UHFFFAOYSA-N -1 3 390.259 2.966 20 30 GFEDHM C=C(C)CO[N-]C(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000846539546 661555744 /nfs/dbraw/zinc/55/57/44/661555744.db2.gz ZQDHGPUDHQTIAE-GFCCVEGCSA-N -1 3 397.269 2.541 20 30 GFEDHM N#C[C@]1(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)CC12CCCC2 ZINC000848270952 661637222 /nfs/dbraw/zinc/63/72/22/661637222.db2.gz SNDSRACAQOZCBL-KRWDZBQOSA-N -1 3 388.221 2.550 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCOCC1 ZINC000851827267 661835840 /nfs/dbraw/zinc/83/58/40/661835840.db2.gz IFAWQDOSHINEGZ-GFCCVEGCSA-N -1 3 392.702 2.809 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCOCC1 ZINC000851829661 661836064 /nfs/dbraw/zinc/83/60/64/661836064.db2.gz JQVCMBPHSYUNAU-ZDUSSCGKSA-N -1 3 392.702 2.809 20 30 GFEDHM C=CC[C@H]1CCCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000855439174 661992016 /nfs/dbraw/zinc/99/20/16/661992016.db2.gz XKPMIMJRBYGPPB-KBPBESRZSA-N -1 3 385.917 2.607 20 30 GFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000859423751 662161541 /nfs/dbraw/zinc/16/15/41/662161541.db2.gz KRCLVZOQVMVXDK-LLVKDONJSA-N -1 3 380.691 2.809 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC(F)(F)CC2)ccc1F ZINC000862713077 662298649 /nfs/dbraw/zinc/29/86/49/662298649.db2.gz JSCIPUAWZTWDOI-UHFFFAOYSA-N -1 3 376.400 2.551 20 30 GFEDHM Cn1ncc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c1Br ZINC000867304373 662540653 /nfs/dbraw/zinc/54/06/53/662540653.db2.gz NTSAYIJMEKNLMQ-ZDUSSCGKSA-N -1 3 397.298 2.896 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cnc(-c2ccccc2Br)s1 ZINC000868562220 662609637 /nfs/dbraw/zinc/60/96/37/662609637.db2.gz DTQORPWCKFYQSB-NSHDSACASA-N -1 3 396.266 2.683 20 30 GFEDHM COCCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000870142167 662675831 /nfs/dbraw/zinc/67/58/31/662675831.db2.gz GPHSREVLJJFKIY-CQSZACIVSA-N -1 3 381.219 2.797 20 30 GFEDHM COCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000870142516 662675837 /nfs/dbraw/zinc/67/58/37/662675837.db2.gz LDNGJAXFFAOTHG-GFCCVEGCSA-N -1 3 381.219 2.797 20 30 GFEDHM C[N-]S(=O)(=O)c1cc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)c(C)o1 ZINC000901379411 663734890 /nfs/dbraw/zinc/73/48/90/663734890.db2.gz XQQQCWWHPSFRJT-UHFFFAOYSA-N -1 3 393.248 2.835 20 30 GFEDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378823 663734974 /nfs/dbraw/zinc/73/49/74/663734974.db2.gz QTAGDDDJKNNIRJ-UHFFFAOYSA-N -1 3 381.219 2.598 20 30 GFEDHM CNC(=O)COc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000917557322 664486298 /nfs/dbraw/zinc/48/62/98/664486298.db2.gz GBMYKTPFTZWUTN-KEBDBYFISA-N -1 3 377.238 2.899 20 30 GFEDHM Cc1cc(Br)c([O-])c(CNc2[nH]nc(N3CCOCC3)c2C#N)c1 ZINC000922361642 664596456 /nfs/dbraw/zinc/59/64/56/664596456.db2.gz FPIZSZZDJKPGPP-UHFFFAOYSA-N -1 3 392.257 2.507 20 30 GFEDHM Cc1cc(Br)c([O-])c(CNc2n[nH]c(N3CCOCC3)c2C#N)c1 ZINC000922361642 664596458 /nfs/dbraw/zinc/59/64/58/664596458.db2.gz FPIZSZZDJKPGPP-UHFFFAOYSA-N -1 3 392.257 2.507 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000121784140 551242737 /nfs/dbraw/zinc/24/27/37/551242737.db2.gz UVUSPYUROQNKSF-UHFFFAOYSA-N -1 3 379.507 2.554 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc(Br)cs1 ZINC000156573883 551525003 /nfs/dbraw/zinc/52/50/03/551525003.db2.gz DNJSYTHBPPMYRE-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM Cn1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc(Cl)c1=O ZINC000160256255 551577645 /nfs/dbraw/zinc/57/76/45/551577645.db2.gz KKMVNDFGBNMGRM-UHFFFAOYSA-N -1 3 391.758 2.730 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(Br)nc1 ZINC000173106759 551695933 /nfs/dbraw/zinc/69/59/33/551695933.db2.gz HJNYFGFGYMJXKI-UHFFFAOYSA-N -1 3 389.253 2.617 20 30 GFEDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000180239296 552218604 /nfs/dbraw/zinc/21/86/04/552218604.db2.gz UGRJHBRXYIGLCL-UHFFFAOYSA-N -1 3 379.869 2.953 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185153544 552355822 /nfs/dbraw/zinc/35/58/22/552355822.db2.gz ANCJLTBSZXAZRF-LBPRGKRZSA-N -1 3 397.287 2.817 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000188331800 552442686 /nfs/dbraw/zinc/44/26/86/552442686.db2.gz IEZKNKKIAIYZHX-UHFFFAOYSA-N -1 3 395.834 2.764 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CCOCC1 ZINC000416413470 563825104 /nfs/dbraw/zinc/82/51/04/563825104.db2.gz FSLBMJHNSRPBIP-AWEZNQCLSA-N -1 3 387.299 2.804 20 30 GFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000450985853 564260114 /nfs/dbraw/zinc/26/01/14/564260114.db2.gz FWHSGIJNTBDBFI-MRVPVSSYSA-N -1 3 384.626 2.525 20 30 GFEDHM CSCCC[N-]C(=S)C(C(=O)c1nccs1)[n+]1cc([O-])ccc1F ZINC000278235255 563246226 /nfs/dbraw/zinc/24/62/26/563246226.db2.gz KVUPBWGCTBFVOD-UHFFFAOYSA-O -1 3 386.519 2.557 20 30 GFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000425126735 563405105 /nfs/dbraw/zinc/40/51/05/563405105.db2.gz ICIJZRCFXHVBLL-QWHCGFSZSA-N -1 3 377.491 2.506 20 30 GFEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)c1Cl ZINC000427809676 563476471 /nfs/dbraw/zinc/47/64/71/563476471.db2.gz BAPFSKMNVVMILF-UHFFFAOYSA-N -1 3 376.309 2.816 20 30 GFEDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000398049204 563532931 /nfs/dbraw/zinc/53/29/31/563532931.db2.gz VMAWWTCQLKBZRR-WMLDXEAASA-N -1 3 375.519 2.809 20 30 GFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000410447527 563591419 /nfs/dbraw/zinc/59/14/19/563591419.db2.gz QBOZDQPEHFZPEB-NSHDSACASA-N -1 3 376.463 2.527 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000333169062 563622878 /nfs/dbraw/zinc/62/28/78/563622878.db2.gz NIHJSUPIYUXEGG-ZDUSSCGKSA-N -1 3 385.283 2.701 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000333233538 563625297 /nfs/dbraw/zinc/62/52/97/563625297.db2.gz YTODEIHKTAGJQJ-BPLDGKMQSA-N -1 3 397.294 2.557 20 30 GFEDHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1 ZINC000435425503 563649740 /nfs/dbraw/zinc/64/97/40/563649740.db2.gz DKISIMCAVKEGRS-CQSZACIVSA-N -1 3 382.438 2.732 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2c(F)cccc2Cl)s1 ZINC000435427114 563649770 /nfs/dbraw/zinc/64/97/70/563649770.db2.gz LHCRSMFARWSYSC-SNVBAGLBSA-N -1 3 388.873 2.542 20 30 GFEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435437603 563650882 /nfs/dbraw/zinc/65/08/82/563650882.db2.gz KPBMXGQFRFUPHR-LBPRGKRZSA-N -1 3 380.491 2.794 20 30 GFEDHM CSc1ccc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000435590298 563654364 /nfs/dbraw/zinc/65/43/64/563654364.db2.gz XZYWKEMBFFJQOH-UHFFFAOYSA-N -1 3 377.447 2.709 20 30 GFEDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000435636762 563655719 /nfs/dbraw/zinc/65/57/19/563655719.db2.gz NVSRRUDYDRWSET-UHFFFAOYSA-N -1 3 380.267 2.757 20 30 GFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000291003535 563729540 /nfs/dbraw/zinc/72/95/40/563729540.db2.gz VKSAGILHEHWBDO-SJKOYZFVSA-N -1 3 384.885 2.726 20 30 GFEDHM C=CCN(CCC#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000293598824 563820371 /nfs/dbraw/zinc/82/03/71/563820371.db2.gz AOQGAMKDODEJJR-UHFFFAOYSA-N -1 3 390.292 2.590 20 30 GFEDHM N#CC1(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCSCC1 ZINC000444331632 563828722 /nfs/dbraw/zinc/82/87/22/563828722.db2.gz QBUDVFSCJHVVIT-UHFFFAOYSA-N -1 3 392.278 2.810 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)ccc1Cl ZINC000447263922 563878463 /nfs/dbraw/zinc/87/84/63/563878463.db2.gz LQONAPUTLKJTSY-UHFFFAOYSA-N -1 3 377.788 2.937 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)c(C(F)(F)F)c1 ZINC000472696162 564230758 /nfs/dbraw/zinc/23/07/58/564230758.db2.gz DLZLYLPSUJSZBC-GFCCVEGCSA-N -1 3 376.381 2.650 20 30 GFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1O ZINC000565486748 564282450 /nfs/dbraw/zinc/28/24/50/564282450.db2.gz QQQOWXQXCULTAN-UHFFFAOYSA-N -1 3 397.250 2.513 20 30 GFEDHM Cn1c(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)nc2cccc(Cl)c21 ZINC000476223390 564331444 /nfs/dbraw/zinc/33/14/44/564331444.db2.gz URHIBSLUKBWDOQ-UHFFFAOYSA-N -1 3 378.816 2.716 20 30 GFEDHM COc1cccc(COCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000476435638 564339599 /nfs/dbraw/zinc/33/95/99/564339599.db2.gz PHRCORYDHILRQV-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000451912676 564365542 /nfs/dbraw/zinc/36/55/42/564365542.db2.gz ULPUQOKYUCBUMV-YUELXQCFSA-N -1 3 389.901 2.766 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCCS2 ZINC000478140084 564395837 /nfs/dbraw/zinc/39/58/37/564395837.db2.gz DWYBBLSRXHOVEL-UHFFFAOYSA-N -1 3 382.507 2.936 20 30 GFEDHM C[C@@](CO)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000480858575 564491289 /nfs/dbraw/zinc/49/12/89/564491289.db2.gz SXNKMVMQIPLFDN-SFHVURJKSA-N -1 3 378.881 2.731 20 30 GFEDHM N#Cc1cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc1OC(F)(F)F ZINC000570768552 564520526 /nfs/dbraw/zinc/52/05/26/564520526.db2.gz XHWCHPHLJAPMRK-UHFFFAOYSA-N -1 3 392.277 2.777 20 30 GFEDHM CCn1c(=O)[n-]nc1SCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000518654545 564559016 /nfs/dbraw/zinc/55/90/16/564559016.db2.gz GCYFLWDKKGWVOA-NSHDSACASA-N -1 3 377.495 2.986 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518658962 564559785 /nfs/dbraw/zinc/55/97/85/564559785.db2.gz BJUQWMVQAIORRY-CHWSQXEVSA-N -1 3 378.251 2.550 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000520106594 564596972 /nfs/dbraw/zinc/59/69/72/564596972.db2.gz JVNVVSQLVLUJPL-HNNXBMFYSA-N -1 3 378.519 2.672 20 30 GFEDHM COc1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000550435133 564624002 /nfs/dbraw/zinc/62/40/02/564624002.db2.gz BYJCBOBYKFUSGD-UHFFFAOYSA-N -1 3 381.251 2.808 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CSc2ccc(Br)cc21 ZINC000486830944 564668145 /nfs/dbraw/zinc/66/81/45/564668145.db2.gz CQLTZYZRZCWOPL-LBPRGKRZSA-N -1 3 396.291 2.841 20 30 GFEDHM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)cn1 ZINC000553492443 564723006 /nfs/dbraw/zinc/72/30/06/564723006.db2.gz ZEONYHPGUAGWCQ-UHFFFAOYSA-N -1 3 380.267 2.545 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000489726004 564750990 /nfs/dbraw/zinc/75/09/90/564750990.db2.gz QKFAQUQQFPTVGO-UHFFFAOYSA-N -1 3 385.214 2.644 20 30 GFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C[S@@](C)=O)ccc1Cl ZINC000461113393 564790117 /nfs/dbraw/zinc/79/01/17/564790117.db2.gz ZMYWXNCQCGNGCM-XMMPIXPASA-N -1 3 398.893 2.900 20 30 GFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493928586 564814321 /nfs/dbraw/zinc/81/43/21/564814321.db2.gz UWGSZKICGIJEPK-SSDOTTSWSA-N -1 3 379.232 2.527 20 30 GFEDHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cccc(C#N)c2)nc1C ZINC000465501679 564929163 /nfs/dbraw/zinc/92/91/63/564929163.db2.gz OJRGIIPRXAMGDE-NSHDSACASA-N -1 3 379.463 2.539 20 30 GFEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(C#N)CSC ZINC000586756217 565114141 /nfs/dbraw/zinc/11/41/41/565114141.db2.gz DQTAWAFBCAPYCY-ZDUSSCGKSA-N -1 3 393.328 2.771 20 30 GFEDHM CCC1(O)CCC([N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000588121512 565127593 /nfs/dbraw/zinc/12/75/93/565127593.db2.gz PDMOTKJQBITWES-UHFFFAOYSA-N -1 3 387.299 2.683 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1noc2ccccc12 ZINC000588900879 565144459 /nfs/dbraw/zinc/14/44/59/565144459.db2.gz VENCUCCLQHFICK-UHFFFAOYSA-N -1 3 392.234 2.940 20 30 GFEDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000590756704 565200439 /nfs/dbraw/zinc/20/04/39/565200439.db2.gz VYGMJWHJUILJEM-LBPRGKRZSA-N -1 3 398.790 2.515 20 30 GFEDHM CC1CCN(c2ccc(C[N-]S(=O)(=O)c3ccsc3C#N)cn2)CC1 ZINC000593532729 565337792 /nfs/dbraw/zinc/33/77/92/565337792.db2.gz RVTWYUWLADRBQF-UHFFFAOYSA-N -1 3 376.507 2.730 20 30 GFEDHM C=CC(C)(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000625327651 565618489 /nfs/dbraw/zinc/61/84/89/565618489.db2.gz JLJNNGZVZZLHLI-UHFFFAOYSA-N -1 3 392.518 2.858 20 30 GFEDHM C=CC[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)c(F)c2)C1 ZINC000625351350 565622608 /nfs/dbraw/zinc/62/26/08/565622608.db2.gz VSTNXWRVGXYHHQ-ZDUSSCGKSA-N -1 3 390.502 2.564 20 30 GFEDHM C=CC[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)C1 ZINC000625351625 565623663 /nfs/dbraw/zinc/62/36/63/565623663.db2.gz WRKKBHILAHXNIK-ZDUSSCGKSA-N -1 3 390.502 2.563 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000611026343 566112626 /nfs/dbraw/zinc/11/26/26/566112626.db2.gz ZZGMLURRVCNPAH-LBPRGKRZSA-N -1 3 379.781 2.532 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000611537759 566134868 /nfs/dbraw/zinc/13/48/68/566134868.db2.gz HFUXPLPSKPUVQH-VIFPVBQESA-N -1 3 379.251 2.813 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCOCC1 ZINC000657128446 566227368 /nfs/dbraw/zinc/22/73/68/566227368.db2.gz WUWDOPIRIGFADS-UHFFFAOYSA-N -1 3 378.263 2.992 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000737676392 598825904 /nfs/dbraw/zinc/82/59/04/598825904.db2.gz VZLYJEJLURZUCY-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000737676392 598825906 /nfs/dbraw/zinc/82/59/06/598825906.db2.gz VZLYJEJLURZUCY-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735388055 598849376 /nfs/dbraw/zinc/84/93/76/598849376.db2.gz QBYDDHZHYIEHJV-UHFFFAOYSA-N -1 3 393.472 2.542 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735505249 598907375 /nfs/dbraw/zinc/90/73/75/598907375.db2.gz PTCGAECTLXICRI-LBPRGKRZSA-N -1 3 381.465 2.896 20 30 GFEDHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2)n1 ZINC000737256774 598914023 /nfs/dbraw/zinc/91/40/23/598914023.db2.gz NNDLBRAGNGWCNE-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)n1 ZINC000737256774 598914024 /nfs/dbraw/zinc/91/40/24/598914024.db2.gz NNDLBRAGNGWCNE-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(F)cc2Br)ccc1-c1nnn[n-]1 ZINC000737710735 598917437 /nfs/dbraw/zinc/91/74/37/598917437.db2.gz ZZBDNSAYPPUGQU-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(F)cc2Br)ccc1-c1nn[n-]n1 ZINC000737710735 598917439 /nfs/dbraw/zinc/91/74/39/598917439.db2.gz ZZBDNSAYPPUGQU-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2)ccc1-c1nnn[n-]1 ZINC000737708545 598926820 /nfs/dbraw/zinc/92/68/20/598926820.db2.gz DSGBAZDVSISPSM-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2)ccc1-c1nn[n-]n1 ZINC000737708545 598926822 /nfs/dbraw/zinc/92/68/22/598926822.db2.gz DSGBAZDVSISPSM-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM C=CC[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409352 598969211 /nfs/dbraw/zinc/96/92/11/598969211.db2.gz CYECIBVVJDAWIH-QGZVFWFLSA-N -1 3 380.477 2.929 20 30 GFEDHM C=CC[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735409352 598969213 /nfs/dbraw/zinc/96/92/13/598969213.db2.gz CYECIBVVJDAWIH-QGZVFWFLSA-N -1 3 380.477 2.929 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1-c1nnn[n-]1 ZINC000737718083 599194153 /nfs/dbraw/zinc/19/41/53/599194153.db2.gz FCEKJFMDHVQCOS-UHFFFAOYSA-N -1 3 394.826 2.639 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)cc1-c1nn[n-]n1 ZINC000737718083 599194155 /nfs/dbraw/zinc/19/41/55/599194155.db2.gz FCEKJFMDHVQCOS-UHFFFAOYSA-N -1 3 394.826 2.639 20 30 GFEDHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735498760 599195292 /nfs/dbraw/zinc/19/52/92/599195292.db2.gz JDTGXCFPOJGDBI-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735498760 599195294 /nfs/dbraw/zinc/19/52/94/599195294.db2.gz JDTGXCFPOJGDBI-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM N#CCOc1ccc(Cl)cc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737697376 599221100 /nfs/dbraw/zinc/22/11/00/599221100.db2.gz FHVNKRAJKGEAJI-UHFFFAOYSA-N -1 3 398.839 2.564 20 30 GFEDHM N#CCOc1ccc(Cl)cc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737697376 599221102 /nfs/dbraw/zinc/22/11/02/599221102.db2.gz FHVNKRAJKGEAJI-UHFFFAOYSA-N -1 3 398.839 2.564 20 30 GFEDHM C=CCNc1ncc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000819750572 607323625 /nfs/dbraw/zinc/32/36/25/607323625.db2.gz FZIQHEYQUZOKQA-UHFFFAOYSA-N -1 3 381.465 2.726 20 30 GFEDHM C=CCNc1ncc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000819750572 607323626 /nfs/dbraw/zinc/32/36/26/607323626.db2.gz FZIQHEYQUZOKQA-UHFFFAOYSA-N -1 3 381.465 2.726 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1ccc(OC)nc1 ZINC000735420367 598378153 /nfs/dbraw/zinc/37/81/53/598378153.db2.gz PCGKVHSZWNQSLZ-UHFFFAOYSA-N -1 3 381.465 2.655 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1ccc(OC)nc1 ZINC000735420367 598378154 /nfs/dbraw/zinc/37/81/54/598378154.db2.gz PCGKVHSZWNQSLZ-UHFFFAOYSA-N -1 3 381.465 2.655 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737102846 598439761 /nfs/dbraw/zinc/43/97/61/598439761.db2.gz DDHRGDWUSXMHRA-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737102846 598439762 /nfs/dbraw/zinc/43/97/62/598439762.db2.gz DDHRGDWUSXMHRA-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM N#CC1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCCC1 ZINC000737679565 598556367 /nfs/dbraw/zinc/55/63/67/598556367.db2.gz RLNVIZORBZEOKT-UHFFFAOYSA-N -1 3 378.392 2.605 20 30 GFEDHM C=CCc1ccc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000735443698 598588461 /nfs/dbraw/zinc/58/84/61/598588461.db2.gz ZRALCYFJHQVYAS-UHFFFAOYSA-N -1 3 383.383 2.760 20 30 GFEDHM C=CCc1ccc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000735443698 598588462 /nfs/dbraw/zinc/58/84/62/598588462.db2.gz ZRALCYFJHQVYAS-UHFFFAOYSA-N -1 3 383.383 2.760 20 30 GFEDHM N#Cc1ccc(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737718918 598620588 /nfs/dbraw/zinc/62/05/88/598620588.db2.gz QIKQKDGVGNOLGH-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000736603431 598644184 /nfs/dbraw/zinc/64/41/84/598644184.db2.gz PEENWQWCHVNBBU-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000736603431 598644187 /nfs/dbraw/zinc/64/41/87/598644187.db2.gz PEENWQWCHVNBBU-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000736636074 598656983 /nfs/dbraw/zinc/65/69/83/598656983.db2.gz JNJXVNZYZGLYOM-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000736636074 598656985 /nfs/dbraw/zinc/65/69/85/598656985.db2.gz JNJXVNZYZGLYOM-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM N#Cc1cc(F)ccc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737704413 598708026 /nfs/dbraw/zinc/70/80/26/598708026.db2.gz HZRXQWHQKNKWNJ-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1cc(F)ccc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737704413 598708027 /nfs/dbraw/zinc/70/80/27/598708027.db2.gz HZRXQWHQKNKWNJ-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1cn(CCOc2ccc(-c3nn[n-]n3)cc2)c2ccc(Cl)cc2c1=O ZINC000737728433 598721446 /nfs/dbraw/zinc/72/14/46/598721446.db2.gz NDFVUMLMPVSHPD-UHFFFAOYSA-N -1 3 392.806 2.786 20 30 GFEDHM N#C[C@H](C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccn1 ZINC000737674632 598734643 /nfs/dbraw/zinc/73/46/43/598734643.db2.gz XFFIYVJVJFTMAP-INIZCTEOSA-N -1 3 383.371 2.939 20 30 GFEDHM N#C[C@H](C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)c1ccccn1 ZINC000737674632 598734645 /nfs/dbraw/zinc/73/46/45/598734645.db2.gz XFFIYVJVJFTMAP-INIZCTEOSA-N -1 3 383.371 2.939 20 30 GFEDHM N#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737688130 598782244 /nfs/dbraw/zinc/78/22/44/598782244.db2.gz QCCMBOBVLVRSEJ-UHFFFAOYSA-N -1 3 378.396 2.869 20 30 GFEDHM N#Cc1cc2c(nc1N1CCC(Oc3cccc(-c4nnn[n-]4)c3)CC1)CCC2 ZINC000737711096 598798153 /nfs/dbraw/zinc/79/81/53/598798153.db2.gz YYRXJNDRJLFWGV-UHFFFAOYSA-N -1 3 387.447 2.670 20 30 GFEDHM N#Cc1cc2c(nc1N1CCC(Oc3cccc(-c4nn[n-]n4)c3)CC1)CCC2 ZINC000737711096 598798154 /nfs/dbraw/zinc/79/81/54/598798154.db2.gz YYRXJNDRJLFWGV-UHFFFAOYSA-N -1 3 387.447 2.670 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2cc(C#N)ccc2OC)n1 ZINC000821343901 607377070 /nfs/dbraw/zinc/37/70/70/607377070.db2.gz YQXBFOJVJRWQJD-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2cc(C#N)ccc2OC)n1 ZINC000821343901 607377072 /nfs/dbraw/zinc/37/70/72/607377072.db2.gz YQXBFOJVJRWQJD-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM C=CCN(Cc1nc(CC(F)(F)F)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745787 599566251 /nfs/dbraw/zinc/56/62/51/599566251.db2.gz RSTJKHCJSDQDTD-UHFFFAOYSA-N -1 3 379.346 2.543 20 30 GFEDHM C=CCN(Cc1nc(CC(F)(F)F)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745787 599566252 /nfs/dbraw/zinc/56/62/52/599566252.db2.gz RSTJKHCJSDQDTD-UHFFFAOYSA-N -1 3 379.346 2.543 20 30 GFEDHM N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822842716 599634132 /nfs/dbraw/zinc/63/41/32/599634132.db2.gz VJVOTXLFEPIPPX-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822842716 599634133 /nfs/dbraw/zinc/63/41/33/599634133.db2.gz VJVOTXLFEPIPPX-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000822822669 599652336 /nfs/dbraw/zinc/65/23/36/599652336.db2.gz ASDMMBADRVCPSE-MDZDMXLPSA-N -1 3 399.370 2.545 20 30 GFEDHM N#Cc1ccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000822822669 599652337 /nfs/dbraw/zinc/65/23/37/599652337.db2.gz ASDMMBADRVCPSE-MDZDMXLPSA-N -1 3 399.370 2.545 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ncc(CC)s1 ZINC000819745458 599679547 /nfs/dbraw/zinc/67/95/47/599679547.db2.gz DRFAXHKZXXTZIL-UHFFFAOYSA-N -1 3 397.508 2.826 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ncc(CC)s1 ZINC000819745458 599679548 /nfs/dbraw/zinc/67/95/48/599679548.db2.gz DRFAXHKZXXTZIL-UHFFFAOYSA-N -1 3 397.508 2.826 20 30 GFEDHM C=CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819734996 607390290 /nfs/dbraw/zinc/39/02/90/607390290.db2.gz YLGOFITWEUJCHM-INIZCTEOSA-N -1 3 387.440 2.992 20 30 GFEDHM C=CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819734996 607390293 /nfs/dbraw/zinc/39/02/93/607390293.db2.gz YLGOFITWEUJCHM-INIZCTEOSA-N -1 3 387.440 2.992 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)[C@H](C)C2)cc1 ZINC000737693021 600567949 /nfs/dbraw/zinc/56/79/49/600567949.db2.gz ICTQAWOCZVBCBJ-FOIQADDNSA-N -1 3 393.443 2.681 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000822922003 607460039 /nfs/dbraw/zinc/46/00/39/607460039.db2.gz BUUMKHVNKDTBPF-VOTSOKGWSA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000822922003 607460041 /nfs/dbraw/zinc/46/00/41/607460041.db2.gz BUUMKHVNKDTBPF-VOTSOKGWSA-N -1 3 379.351 2.859 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821334549 607459748 /nfs/dbraw/zinc/45/97/48/607459748.db2.gz NSHRIMNKYJCJFU-HJWRWDBZSA-N -1 3 396.378 2.844 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821334549 607459750 /nfs/dbraw/zinc/45/97/50/607459750.db2.gz NSHRIMNKYJCJFU-HJWRWDBZSA-N -1 3 396.378 2.844 20 30 GFEDHM CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821319280 607466317 /nfs/dbraw/zinc/46/63/17/607466317.db2.gz CNYCJJBCEQGODD-CQSZACIVSA-N -1 3 392.410 2.701 20 30 GFEDHM CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821319280 607466319 /nfs/dbraw/zinc/46/63/19/607466319.db2.gz CNYCJJBCEQGODD-CQSZACIVSA-N -1 3 392.410 2.701 20 30 GFEDHM Cc1ccccc1C(=O)NC1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832976617 601311869 /nfs/dbraw/zinc/31/18/69/601311869.db2.gz UXSVKFTWIMMOMD-FQEVSTJZSA-N -1 3 377.444 2.887 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccccc1Cl ZINC000824739000 607596567 /nfs/dbraw/zinc/59/65/67/607596567.db2.gz TYMNIIYEJSWQKK-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM COc1ccc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826205641 607600784 /nfs/dbraw/zinc/60/07/84/607600784.db2.gz DWSORVPVKJKQKY-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM COc1ccc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826205641 607600785 /nfs/dbraw/zinc/60/07/85/607600785.db2.gz DWSORVPVKJKQKY-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739861226 603160860 /nfs/dbraw/zinc/16/08/60/603160860.db2.gz UJCZGYWGTBLHLH-JTQLQIEISA-N -1 3 381.816 2.741 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822664810 606223525 /nfs/dbraw/zinc/22/35/25/606223525.db2.gz BHFMKMGAIDFTMX-UHFFFAOYSA-N -1 3 383.415 2.924 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822664810 606223527 /nfs/dbraw/zinc/22/35/27/606223527.db2.gz BHFMKMGAIDFTMX-UHFFFAOYSA-N -1 3 383.415 2.924 20 30 GFEDHM COC(=O)[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645274 606302180 /nfs/dbraw/zinc/30/21/80/606302180.db2.gz VNRJOHVFLLHCRG-GOSISDBHSA-N -1 3 392.419 2.875 20 30 GFEDHM COC(=O)[C@H](Nc1cccc(OCCCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645274 606302181 /nfs/dbraw/zinc/30/21/81/606302181.db2.gz VNRJOHVFLLHCRG-GOSISDBHSA-N -1 3 392.419 2.875 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821441356 606305106 /nfs/dbraw/zinc/30/51/06/606305106.db2.gz KTXFITRSKXBOQF-FPLPWBNLSA-N -1 3 389.462 2.586 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821441356 606305108 /nfs/dbraw/zinc/30/51/08/606305108.db2.gz KTXFITRSKXBOQF-FPLPWBNLSA-N -1 3 389.462 2.586 20 30 GFEDHM COc1cc(CN(C)CCC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821712416 606333239 /nfs/dbraw/zinc/33/32/39/606333239.db2.gz HRWPCHZKSRPVMT-UHFFFAOYSA-N -1 3 378.436 2.800 20 30 GFEDHM COc1cc(CN(C)CCC#N)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000821712416 606333240 /nfs/dbraw/zinc/33/32/40/606333240.db2.gz HRWPCHZKSRPVMT-UHFFFAOYSA-N -1 3 378.436 2.800 20 30 GFEDHM Cc1nc(SCC(=O)N[C@@H](C#N)C2CCCCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454026 606363505 /nfs/dbraw/zinc/36/35/05/606363505.db2.gz RCWNOWUEEFZJPJ-HNNXBMFYSA-N -1 3 399.524 2.868 20 30 GFEDHM Cc1nc(SCC(=O)N[C@@H](C#N)C2CCCCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454026 606363506 /nfs/dbraw/zinc/36/35/06/606363506.db2.gz RCWNOWUEEFZJPJ-HNNXBMFYSA-N -1 3 399.524 2.868 20 30 GFEDHM N#CCCN(CC(F)(F)F)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822807083 606372417 /nfs/dbraw/zinc/37/24/17/606372417.db2.gz YFEAVLPFHSJGCY-UHFFFAOYSA-N -1 3 396.373 2.720 20 30 GFEDHM N#CCCN(CC(F)(F)F)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822807083 606372419 /nfs/dbraw/zinc/37/24/19/606372419.db2.gz YFEAVLPFHSJGCY-UHFFFAOYSA-N -1 3 396.373 2.720 20 30 GFEDHM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820882176 606407715 /nfs/dbraw/zinc/40/77/15/606407715.db2.gz LUXBTGFRVQECLT-MLGOLLRUSA-N -1 3 391.435 2.680 20 30 GFEDHM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820882176 606407717 /nfs/dbraw/zinc/40/77/17/606407717.db2.gz LUXBTGFRVQECLT-MLGOLLRUSA-N -1 3 391.435 2.680 20 30 GFEDHM N#Cc1cnc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000822842391 606480976 /nfs/dbraw/zinc/48/09/76/606480976.db2.gz GSDGXIFLMKHPCL-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1cnc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000822842391 606480977 /nfs/dbraw/zinc/48/09/77/606480977.db2.gz GSDGXIFLMKHPCL-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1cc(F)c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(F)c1 ZINC000822819544 606669951 /nfs/dbraw/zinc/66/99/51/606669951.db2.gz VEKCMWYWKUSDTL-UHFFFAOYSA-N -1 3 380.358 2.821 20 30 GFEDHM N#Cc1cc(F)c(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(F)c1 ZINC000822819544 606669952 /nfs/dbraw/zinc/66/99/52/606669952.db2.gz VEKCMWYWKUSDTL-UHFFFAOYSA-N -1 3 380.358 2.821 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCSc1ccccn1 ZINC000819743488 606673958 /nfs/dbraw/zinc/67/39/58/606673958.db2.gz KMKTVSNJESQSOA-UHFFFAOYSA-N -1 3 380.477 2.959 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCSc1ccccn1 ZINC000819743488 606673959 /nfs/dbraw/zinc/67/39/59/606673959.db2.gz KMKTVSNJESQSOA-UHFFFAOYSA-N -1 3 380.477 2.959 20 30 GFEDHM N#Cc1cc(F)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(F)c1 ZINC000822819334 606677147 /nfs/dbraw/zinc/67/71/47/606677147.db2.gz QGMGNEOANVQBEL-UHFFFAOYSA-N -1 3 392.272 2.870 20 30 GFEDHM COc1cc(F)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OC ZINC000821719333 607150792 /nfs/dbraw/zinc/15/07/92/607150792.db2.gz BUUDBAFIINHAKU-SNAWJCMRSA-N -1 3 394.366 2.567 20 30 GFEDHM COc1cc(F)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OC ZINC000821719333 607150793 /nfs/dbraw/zinc/15/07/93/607150793.db2.gz BUUDBAFIINHAKU-SNAWJCMRSA-N -1 3 394.366 2.567 20 30 GFEDHM N#Cc1ccc(SC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826385863 607843150 /nfs/dbraw/zinc/84/31/50/607843150.db2.gz FKWFOBNLEKNAJL-ZDUSSCGKSA-N -1 3 387.852 2.924 20 30 GFEDHM C#CCNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000823850255 607966088 /nfs/dbraw/zinc/96/60/88/607966088.db2.gz LQAUOVCXQDLPBD-UHFFFAOYSA-N -1 3 380.452 2.516 20 30 GFEDHM C#CCNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000823850255 607966089 /nfs/dbraw/zinc/96/60/89/607966089.db2.gz LQAUOVCXQDLPBD-UHFFFAOYSA-N -1 3 380.452 2.516 20 30 GFEDHM COc1ccc(CON=Cc2c(Cl)nc3ccccn32)cc1-c1nnn[n-]1 ZINC000826206787 607972627 /nfs/dbraw/zinc/97/26/27/607972627.db2.gz LEXAJZPBWPTKIT-UHFFFAOYSA-N -1 3 383.799 2.727 20 30 GFEDHM COc1ccc(CON=Cc2c(Cl)nc3ccccn32)cc1-c1nn[n-]n1 ZINC000826206787 607972628 /nfs/dbraw/zinc/97/26/28/607972628.db2.gz LEXAJZPBWPTKIT-UHFFFAOYSA-N -1 3 383.799 2.727 20 30 GFEDHM Clc1ccc(C#CCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826351431 608069016 /nfs/dbraw/zinc/06/90/16/608069016.db2.gz MHUCQSOQMPEWEC-LJQANCHMSA-N -1 3 379.851 2.945 20 30 GFEDHM Clc1ccc(C#CCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826351431 608069017 /nfs/dbraw/zinc/06/90/17/608069017.db2.gz MHUCQSOQMPEWEC-LJQANCHMSA-N -1 3 379.851 2.945 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000825796239 608109460 /nfs/dbraw/zinc/10/94/60/608109460.db2.gz AOHJODXKGDDJHB-UHFFFAOYSA-N -1 3 389.448 2.917 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000825796239 608109461 /nfs/dbraw/zinc/10/94/61/608109461.db2.gz AOHJODXKGDDJHB-UHFFFAOYSA-N -1 3 389.448 2.917 20 30 GFEDHM C#CCOCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823856131 608133447 /nfs/dbraw/zinc/13/34/47/608133447.db2.gz KFYWYILSETUXBF-UHFFFAOYSA-N -1 3 397.822 2.692 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000826173678 608264425 /nfs/dbraw/zinc/26/44/25/608264425.db2.gz PFUYILKFCURIAR-UHFFFAOYSA-N -1 3 392.806 2.764 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000826173678 608264426 /nfs/dbraw/zinc/26/44/26/608264426.db2.gz PFUYILKFCURIAR-UHFFFAOYSA-N -1 3 392.806 2.764 20 30 GFEDHM CC(C)n1ncc2cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)cnc21 ZINC000824377587 608533682 /nfs/dbraw/zinc/53/36/82/608533682.db2.gz HWZGTOMEIGKRFC-UHFFFAOYSA-N -1 3 382.819 2.687 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823887875 608535906 /nfs/dbraw/zinc/53/59/06/608535906.db2.gz AERFAFBQASTKAE-INIZCTEOSA-N -1 3 392.463 2.518 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823887875 608535908 /nfs/dbraw/zinc/53/59/08/608535908.db2.gz AERFAFBQASTKAE-INIZCTEOSA-N -1 3 392.463 2.518 20 30 GFEDHM COc1ccccc1N1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000826220342 608535932 /nfs/dbraw/zinc/53/59/32/608535932.db2.gz KVIJIYTXAJUEAL-UHFFFAOYSA-N -1 3 398.858 2.992 20 30 GFEDHM COc1ccccc1N1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000826220342 608535934 /nfs/dbraw/zinc/53/59/34/608535934.db2.gz KVIJIYTXAJUEAL-UHFFFAOYSA-N -1 3 398.858 2.992 20 30 GFEDHM Cc1nn(-c2ccccc2)cc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826333089 608536139 /nfs/dbraw/zinc/53/61/39/608536139.db2.gz SWXJLVWAIXFRQJ-UHFFFAOYSA-N -1 3 379.815 2.855 20 30 GFEDHM Cc1nn(-c2ccccc2)cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826333089 608536140 /nfs/dbraw/zinc/53/61/40/608536140.db2.gz SWXJLVWAIXFRQJ-UHFFFAOYSA-N -1 3 379.815 2.855 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000823958594 608539918 /nfs/dbraw/zinc/53/99/18/608539918.db2.gz RSDOMPLHVVGRGC-UHFFFAOYSA-N -1 3 382.815 2.636 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000823958594 608539920 /nfs/dbraw/zinc/53/99/20/608539920.db2.gz RSDOMPLHVVGRGC-UHFFFAOYSA-N -1 3 382.815 2.636 20 30 GFEDHM N#Cc1cc(NC(=O)c2csc(-c3ncccc3F)n2)ccc1-c1nnn[n-]1 ZINC000826384390 608667784 /nfs/dbraw/zinc/66/77/84/608667784.db2.gz STVSNFKWBSPDOZ-UHFFFAOYSA-N -1 3 392.379 2.648 20 30 GFEDHM N#Cc1cc(NC(=O)c2csc(-c3ncccc3F)n2)ccc1-c1nn[n-]n1 ZINC000826384390 608667786 /nfs/dbraw/zinc/66/77/86/608667786.db2.gz STVSNFKWBSPDOZ-UHFFFAOYSA-N -1 3 392.379 2.648 20 30 GFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1ccccc1CC#N ZINC000826167424 609156350 /nfs/dbraw/zinc/15/63/50/609156350.db2.gz CWRBJFBFWRFKBZ-UHFFFAOYSA-N -1 3 383.795 2.743 20 30 GFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1ccccc1CC#N ZINC000826167424 609156353 /nfs/dbraw/zinc/15/63/53/609156353.db2.gz CWRBJFBFWRFKBZ-UHFFFAOYSA-N -1 3 383.795 2.743 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)nc1 ZINC000823861314 609165381 /nfs/dbraw/zinc/16/53/81/609165381.db2.gz DIFANFWPVDCGFS-UHFFFAOYSA-N -1 3 383.415 2.903 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)nc1 ZINC000823861314 609165383 /nfs/dbraw/zinc/16/53/83/609165383.db2.gz DIFANFWPVDCGFS-UHFFFAOYSA-N -1 3 383.415 2.903 20 30 GFEDHM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825796792 609276334 /nfs/dbraw/zinc/27/63/34/609276334.db2.gz NYVVFUXUQHIFLR-UHFFFAOYSA-N -1 3 392.398 2.572 20 30 GFEDHM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825796792 609276336 /nfs/dbraw/zinc/27/63/36/609276336.db2.gz NYVVFUXUQHIFLR-UHFFFAOYSA-N -1 3 392.398 2.572 20 30 GFEDHM CC1CC(C#N)(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824866776 609347264 /nfs/dbraw/zinc/34/72/64/609347264.db2.gz NNKQAGNCASLQOJ-UHFFFAOYSA-N -1 3 376.214 2.612 20 30 GFEDHM CC1CC(C#N)(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000824866776 609347266 /nfs/dbraw/zinc/34/72/66/609347266.db2.gz NNKQAGNCASLQOJ-UHFFFAOYSA-N -1 3 376.214 2.612 20 30 GFEDHM COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c(C)n1 ZINC000826178069 609368638 /nfs/dbraw/zinc/36/86/38/609368638.db2.gz ITDTZXMIKSROFU-FPLPWBNLSA-N -1 3 378.436 2.839 20 30 GFEDHM COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c(C)n1 ZINC000826178069 609368640 /nfs/dbraw/zinc/36/86/40/609368640.db2.gz ITDTZXMIKSROFU-FPLPWBNLSA-N -1 3 378.436 2.839 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823887976 609395317 /nfs/dbraw/zinc/39/53/17/609395317.db2.gz CGYNTIRKZZZVPL-CQSZACIVSA-N -1 3 379.420 2.573 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823887976 609395318 /nfs/dbraw/zinc/39/53/18/609395318.db2.gz CGYNTIRKZZZVPL-CQSZACIVSA-N -1 3 379.420 2.573 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000826383841 609447711 /nfs/dbraw/zinc/44/77/11/609447711.db2.gz SZCIIGNFNBPUTP-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000826383841 609447714 /nfs/dbraw/zinc/44/77/14/609447714.db2.gz SZCIIGNFNBPUTP-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824035520 609504269 /nfs/dbraw/zinc/50/42/69/609504269.db2.gz ZDMVUOCOCTWTQA-STQMWFEESA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824035520 609504270 /nfs/dbraw/zinc/50/42/70/609504270.db2.gz ZDMVUOCOCTWTQA-STQMWFEESA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824034637 609511123 /nfs/dbraw/zinc/51/11/23/609511123.db2.gz MJLCSYWFWXIXCJ-GFCCVEGCSA-N -1 3 388.391 2.820 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824034637 609511125 /nfs/dbraw/zinc/51/11/25/609511125.db2.gz MJLCSYWFWXIXCJ-GFCCVEGCSA-N -1 3 388.391 2.820 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824035544 609624739 /nfs/dbraw/zinc/62/47/39/609624739.db2.gz ZLTSLVMUTIDUCV-STQMWFEESA-N -1 3 378.392 2.564 20 30 GFEDHM N#Cc1ncn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826388364 660454251 /nfs/dbraw/zinc/45/42/51/660454251.db2.gz UYFQOKHLFQPADC-UHFFFAOYSA-N -1 3 397.613 2.534 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(Cl)cc1Cl ZINC000841575333 661306034 /nfs/dbraw/zinc/30/60/34/661306034.db2.gz LDQOGOAMPAZNKJ-UHFFFAOYSA-N -1 3 377.249 2.752 20 30 GFEDHM C#C[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Br)cc1 ZINC000833236064 660806616 /nfs/dbraw/zinc/80/66/16/660806616.db2.gz OVRHRPQXNWBEPF-INIZCTEOSA-N -1 3 388.265 2.985 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C#N)c(Cl)cc1Cl ZINC000125751204 654801486 /nfs/dbraw/zinc/80/14/86/654801486.db2.gz WODPNAUVTGYEQP-VIFPVBQESA-N -1 3 378.281 2.570 20 30 GFEDHM C#CCCCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000155825367 655087773 /nfs/dbraw/zinc/08/77/73/655087773.db2.gz LMMSYJGSZGMSJF-UHFFFAOYSA-N -1 3 389.304 2.967 20 30 GFEDHM CN(CCc1ccccn1)C(=O)C/N=C\c1cc(Br)ccc1[O-] ZINC000255307892 655438201 /nfs/dbraw/zinc/43/82/01/655438201.db2.gz HFLSVFSCXXYHGS-ODLFYWEKSA-N -1 3 376.254 2.670 20 30 GFEDHM COc1cc(C=NOCc2cccnc2)cc(I)c1[O-] ZINC000746587824 655764268 /nfs/dbraw/zinc/76/42/68/655764268.db2.gz RZJBCVVSYCIDHY-UHFFFAOYSA-N -1 3 384.173 2.951 20 30 GFEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC#N)c(Cl)cc1Cl ZINC000749608380 655806104 /nfs/dbraw/zinc/80/61/04/655806104.db2.gz FPZXGNIAZSEPNT-SECBINFHSA-N -1 3 378.281 2.714 20 30 GFEDHM 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JMXFWQVFYREXMS-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737524363 598925829 /nfs/dbraw/zinc/92/58/29/598925829.db2.gz YIWJTZJJPSSDMF-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737524363 598925831 /nfs/dbraw/zinc/92/58/31/598925831.db2.gz YIWJTZJJPSSDMF-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM C=CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1-c1cccnc1 ZINC000735448031 598935732 /nfs/dbraw/zinc/93/57/32/598935732.db2.gz HHWNIMKRDSAIFH-UHFFFAOYSA-N -1 3 397.855 2.906 20 30 GFEDHM C=CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1-c1cccnc1 ZINC000735448031 598935734 /nfs/dbraw/zinc/93/57/34/598935734.db2.gz HHWNIMKRDSAIFH-UHFFFAOYSA-N -1 3 397.855 2.906 20 30 GFEDHM N#Cc1cnc(NCCCNc2ncc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000737728942 598936999 /nfs/dbraw/zinc/93/69/99/598936999.db2.gz YDAPFBSEQYDUIT-UHFFFAOYSA-N -1 3 390.238 2.749 20 30 GFEDHM N#Cc1cnc(NCCCNc2ncc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000737728942 598937000 /nfs/dbraw/zinc/93/70/00/598937000.db2.gz YDAPFBSEQYDUIT-UHFFFAOYSA-N -1 3 390.238 2.749 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000737730724 598941633 /nfs/dbraw/zinc/94/16/33/598941633.db2.gz QTCFRDZIMWGFNE-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)c1 ZINC000737730724 598941635 /nfs/dbraw/zinc/94/16/35/598941635.db2.gz QTCFRDZIMWGFNE-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM CN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1(C#N)CCC1 ZINC000736741552 599025398 /nfs/dbraw/zinc/02/53/98/599025398.db2.gz FRUMJGRSOIEULQ-UHFFFAOYSA-N -1 3 388.431 2.964 20 30 GFEDHM CN(C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1(C#N)CCC1 ZINC000736741552 599025399 /nfs/dbraw/zinc/02/53/99/599025399.db2.gz FRUMJGRSOIEULQ-UHFFFAOYSA-N -1 3 388.431 2.964 20 30 GFEDHM N#CCN(CC#N)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737691991 599200920 /nfs/dbraw/zinc/20/09/20/599200920.db2.gz AEJJUNLIMPOBDN-UHFFFAOYSA-N -1 3 393.794 2.802 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc2c(s1)COCC2 ZINC000735420963 599279183 /nfs/dbraw/zinc/27/91/83/599279183.db2.gz VYMBHDZPSZNQAT-UHFFFAOYSA-N -1 3 397.464 2.616 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc2c(s1)COCC2 ZINC000735420963 599279185 /nfs/dbraw/zinc/27/91/85/599279185.db2.gz VYMBHDZPSZNQAT-UHFFFAOYSA-N -1 3 397.464 2.616 20 30 GFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000735906359 598323284 /nfs/dbraw/zinc/32/32/84/598323284.db2.gz SSIOGZWRIHCZOX-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000735906359 598323286 /nfs/dbraw/zinc/32/32/86/598323286.db2.gz SSIOGZWRIHCZOX-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@](C)(OC)c1ccccc1 ZINC000735419681 598394859 /nfs/dbraw/zinc/39/48/59/598394859.db2.gz YYLBKZRUXXVIAP-OAQYLSRUSA-N -1 3 377.448 2.943 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@](C)(OC)c1ccccc1 ZINC000735419681 598394861 /nfs/dbraw/zinc/39/48/61/598394861.db2.gz YYLBKZRUXXVIAP-OAQYLSRUSA-N -1 3 377.448 2.943 20 30 GFEDHM C=C(Br)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735399710 598429013 /nfs/dbraw/zinc/42/90/13/598429013.db2.gz TXIAWMVQDWFVRO-UHFFFAOYSA-N -1 3 379.262 2.695 20 30 GFEDHM C=C(Br)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735399710 598429014 /nfs/dbraw/zinc/42/90/14/598429014.db2.gz TXIAWMVQDWFVRO-UHFFFAOYSA-N -1 3 379.262 2.695 20 30 GFEDHM C#CCOc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735380264 598494201 /nfs/dbraw/zinc/49/42/01/598494201.db2.gz HUNFFGGNCLXYFW-LJQANCHMSA-N -1 3 391.431 2.921 20 30 GFEDHM C#CCOc1cccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735380264 598494204 /nfs/dbraw/zinc/49/42/04/598494204.db2.gz HUNFFGGNCLXYFW-LJQANCHMSA-N -1 3 391.431 2.921 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735647770 598535530 /nfs/dbraw/zinc/53/55/30/598535530.db2.gz BRZPHSKALGCALO-SFHVURJKSA-N -1 3 390.447 2.924 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598753469 /nfs/dbraw/zinc/75/34/69/598753469.db2.gz CHXDEXUEENHCOJ-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM C[C@@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)N(C)CCC#N ZINC000736137561 598786775 /nfs/dbraw/zinc/78/67/75/598786775.db2.gz KVODOUSZSAUNRO-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)N(C)CCC#N ZINC000736137561 598786777 /nfs/dbraw/zinc/78/67/77/598786777.db2.gz KVODOUSZSAUNRO-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM N#Cc1cccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737729981 599333988 /nfs/dbraw/zinc/33/39/88/599333988.db2.gz BOWHMCYCOBCECC-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM N#Cc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737729981 599333990 /nfs/dbraw/zinc/33/39/90/599333990.db2.gz BOWHMCYCOBCECC-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1[N+](=O)[O-] ZINC000737310040 599460975 /nfs/dbraw/zinc/46/09/75/599460975.db2.gz 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C#CCOc1ccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819709332 599664666 /nfs/dbraw/zinc/66/46/66/599664666.db2.gz DEJKLVXXIIRGIS-UHFFFAOYSA-N -1 3 378.388 2.505 20 30 GFEDHM C=CCN(Cc1ccccc1F)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819746054 599676764 /nfs/dbraw/zinc/67/67/64/599676764.db2.gz YXKZJBIOBKREAK-UHFFFAOYSA-N -1 3 396.426 2.782 20 30 GFEDHM COc1ccc(C#N)cc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821770430 607414484 /nfs/dbraw/zinc/41/44/84/607414484.db2.gz SZVSFLICPYITJX-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM COc1ccc(C#N)cc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821770430 607414486 /nfs/dbraw/zinc/41/44/86/607414486.db2.gz SZVSFLICPYITJX-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824744655 607428201 /nfs/dbraw/zinc/42/82/01/607428201.db2.gz CXBVRPOWEDSVAL-RHSMWYFYSA-N -1 3 376.420 2.795 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824744655 607428202 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N#CC(C(=O)c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2[nH]1 ZINC000833961212 605583689 /nfs/dbraw/zinc/58/36/89/605583689.db2.gz PKPIRFGYIHLEAB-KBPBESRZSA-N -1 3 378.392 2.564 20 30 GFEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1 ZINC000822826330 606223697 /nfs/dbraw/zinc/22/36/97/606223697.db2.gz WIJRIVYKANWQNF-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1 ZINC000822826330 606223698 /nfs/dbraw/zinc/22/36/98/606223698.db2.gz WIJRIVYKANWQNF-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM C[C@@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000820298852 606310165 /nfs/dbraw/zinc/31/01/65/606310165.db2.gz BIZXOBWRIGGEET-NSHDSACASA-N -1 3 388.460 2.987 20 30 GFEDHM C[C@@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000820298852 606310166 /nfs/dbraw/zinc/31/01/66/606310166.db2.gz BIZXOBWRIGGEET-NSHDSACASA-N -1 3 388.460 2.987 20 30 GFEDHM N#CCN(CC#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822810639 606318523 /nfs/dbraw/zinc/31/85/23/606318523.db2.gz KFMZXKZLDOYXDP-UHFFFAOYSA-N -1 3 375.417 2.507 20 30 GFEDHM N#CCN(CC#N)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822810639 606318524 /nfs/dbraw/zinc/31/85/24/606318524.db2.gz KFMZXKZLDOYXDP-UHFFFAOYSA-N -1 3 375.417 2.507 20 30 GFEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C[C@@H]2C)o1 ZINC000820759173 606341402 /nfs/dbraw/zinc/34/14/02/606341402.db2.gz IGFNCMMNCBVCNR-ZDUSSCGKSA-N -1 3 380.456 2.898 20 30 GFEDHM N#Cc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822826029 606559531 /nfs/dbraw/zinc/55/95/31/606559531.db2.gz RUQYDQMMLVRLAY-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM N#Cc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822826029 606559532 /nfs/dbraw/zinc/55/95/32/606559532.db2.gz RUQYDQMMLVRLAY-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822815295 606567709 /nfs/dbraw/zinc/56/77/09/606567709.db2.gz ONZITYVXHRVTIP-UHFFFAOYSA-N -1 3 375.797 2.841 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822815295 606567710 /nfs/dbraw/zinc/56/77/10/606567710.db2.gz ONZITYVXHRVTIP-UHFFFAOYSA-N -1 3 375.797 2.841 20 30 GFEDHM N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822826347 606713133 /nfs/dbraw/zinc/71/31/33/606713133.db2.gz WMQIFKIOKCCFJM-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822826347 606713135 /nfs/dbraw/zinc/71/31/35/606713135.db2.gz WMQIFKIOKCCFJM-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379313 606771441 /nfs/dbraw/zinc/77/14/41/606771441.db2.gz ABNVSPWQCKYWIZ-LLVKDONJSA-N -1 3 381.371 2.791 20 30 GFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379313 606771442 /nfs/dbraw/zinc/77/14/42/606771442.db2.gz ABNVSPWQCKYWIZ-LLVKDONJSA-N -1 3 381.371 2.791 20 30 GFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CCO2 ZINC000821849274 606836518 /nfs/dbraw/zinc/83/65/18/606836518.db2.gz BSJMYXGERKOZJC-UKTHLTGXSA-N -1 3 378.388 2.933 20 30 GFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CCO2 ZINC000821849274 606836519 /nfs/dbraw/zinc/83/65/19/606836519.db2.gz BSJMYXGERKOZJC-UKTHLTGXSA-N -1 3 378.388 2.933 20 30 GFEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000823144564 606839937 /nfs/dbraw/zinc/83/99/37/606839937.db2.gz ISFXKTITYPTGDT-UHFFFAOYSA-N -1 3 389.391 2.545 20 30 GFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cncn2)cc1Cl ZINC000819772926 606988121 /nfs/dbraw/zinc/98/81/21/606988121.db2.gz NBWCKUDGNPFAJL-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1cnccn1 ZINC000819765821 607016268 /nfs/dbraw/zinc/01/62/68/607016268.db2.gz SEVCQKPIRUXLSA-LBPRGKRZSA-N -1 3 391.464 2.955 20 30 GFEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1cnccn1 ZINC000819765821 607016270 /nfs/dbraw/zinc/01/62/70/607016270.db2.gz SEVCQKPIRUXLSA-LBPRGKRZSA-N -1 3 391.464 2.955 20 30 GFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)cc21 ZINC000820577854 607022829 /nfs/dbraw/zinc/02/28/29/607022829.db2.gz WKFOCJUSLFDTAX-ALCCZGGFSA-N -1 3 399.414 2.640 20 30 GFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)cc21 ZINC000820577854 607022831 /nfs/dbraw/zinc/02/28/31/607022831.db2.gz WKFOCJUSLFDTAX-ALCCZGGFSA-N -1 3 399.414 2.640 20 30 GFEDHM Cc1nc(SCC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(C#N)c(C)c1C ZINC000822452979 607245441 /nfs/dbraw/zinc/24/54/41/607245441.db2.gz DBFGTUGTZSQNIX-UHFFFAOYSA-N -1 3 398.423 2.895 20 30 GFEDHM Cc1nc(SCC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(C#N)c(C)c1C ZINC000822452979 607245442 /nfs/dbraw/zinc/24/54/42/607245442.db2.gz DBFGTUGTZSQNIX-UHFFFAOYSA-N -1 3 398.423 2.895 20 30 GFEDHM C#CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838384 607938691 /nfs/dbraw/zinc/93/86/91/607938691.db2.gz OZZSIIDTAYNOLA-HNNXBMFYSA-N -1 3 387.852 2.563 20 30 GFEDHM N#Cc1cc(NC(=O)C(F)(F)c2c(F)cccc2F)ccc1-c1nnn[n-]1 ZINC000826384327 607962739 /nfs/dbraw/zinc/96/27/39/607962739.db2.gz QVOJOESZPCKZIP-UHFFFAOYSA-N -1 3 376.273 2.747 20 30 GFEDHM N#Cc1cc(NC(=O)C(F)(F)c2c(F)cccc2F)ccc1-c1nn[n-]n1 ZINC000826384327 607962740 /nfs/dbraw/zinc/96/27/40/607962740.db2.gz QVOJOESZPCKZIP-UHFFFAOYSA-N -1 3 376.273 2.747 20 30 GFEDHM CN(C(=O)Cc1cccc(OCC#N)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825820852 608029025 /nfs/dbraw/zinc/02/90/25/608029025.db2.gz WSTLUJDSYWDBHD-UHFFFAOYSA-N -1 3 382.811 2.628 20 30 GFEDHM CN(C(=O)Cc1cccc(OCC#N)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825820852 608029026 /nfs/dbraw/zinc/02/90/26/608029026.db2.gz WSTLUJDSYWDBHD-UHFFFAOYSA-N -1 3 382.811 2.628 20 30 GFEDHM N#CCN(CC#N)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826382106 608060397 /nfs/dbraw/zinc/06/03/97/608060397.db2.gz OQGVGXDGQXITKY-UHFFFAOYSA-N -1 3 393.794 2.802 20 30 GFEDHM N#CCN(CC#N)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826382106 608060398 /nfs/dbraw/zinc/06/03/98/608060398.db2.gz OQGVGXDGQXITKY-UHFFFAOYSA-N -1 3 393.794 2.802 20 30 GFEDHM COC[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826148015 608147055 /nfs/dbraw/zinc/14/70/55/608147055.db2.gz VKIAMSKXUAZIFO-CYBMUJFWSA-N -1 3 381.417 2.713 20 30 GFEDHM COC[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826148015 608147056 /nfs/dbraw/zinc/14/70/56/608147056.db2.gz VKIAMSKXUAZIFO-CYBMUJFWSA-N -1 3 381.417 2.713 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CC(C)C)c1C ZINC000823914382 608268208 /nfs/dbraw/zinc/26/82/08/608268208.db2.gz HXHQIRWCCFHGJW-UHFFFAOYSA-N -1 3 379.468 2.856 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnn(CC(C)C)c1C ZINC000823914382 608268211 /nfs/dbraw/zinc/26/82/11/608268211.db2.gz HXHQIRWCCFHGJW-UHFFFAOYSA-N -1 3 379.468 2.856 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000823909957 608273590 /nfs/dbraw/zinc/27/35/90/608273590.db2.gz UJQCHTUKPXETTD-QZTJIDSGSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000823909957 608273592 /nfs/dbraw/zinc/27/35/92/608273592.db2.gz UJQCHTUKPXETTD-QZTJIDSGSA-N -1 3 384.484 2.768 20 30 GFEDHM Brc1ccc2c(c1)OCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823832414 608387654 /nfs/dbraw/zinc/38/76/54/608387654.db2.gz NKQJBKNBIRDZPB-UHFFFAOYSA-N -1 3 399.252 2.906 20 30 GFEDHM Brc1ccc2c(c1)OCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823832414 608387656 /nfs/dbraw/zinc/38/76/56/608387656.db2.gz NKQJBKNBIRDZPB-UHFFFAOYSA-N -1 3 399.252 2.906 20 30 GFEDHM N#Cc1cccc(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386527 608446885 /nfs/dbraw/zinc/44/68/85/608446885.db2.gz ISIMREDKULFORS-KRWDZBQOSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1cc(F)c(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000826384011 608482108 /nfs/dbraw/zinc/48/21/08/608482108.db2.gz BQQQZZBYYAKIAQ-UHFFFAOYSA-N -1 3 392.369 2.946 20 30 GFEDHM N#Cc1cc(F)c(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826384011 608482109 /nfs/dbraw/zinc/48/21/09/608482109.db2.gz BQQQZZBYYAKIAQ-UHFFFAOYSA-N -1 3 392.369 2.946 20 30 GFEDHM C=CCn1c(C)nn(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1=S ZINC000823937477 608488113 /nfs/dbraw/zinc/48/81/13/608488113.db2.gz ZLYDLEAVYVWOIX-UHFFFAOYSA-N -1 3 394.508 2.835 20 30 GFEDHM C=CCn1c(C)nn(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1=S ZINC000823937477 608488115 /nfs/dbraw/zinc/48/81/15/608488115.db2.gz ZLYDLEAVYVWOIX-UHFFFAOYSA-N -1 3 394.508 2.835 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1-c1ccc(F)cc1 ZINC000826260378 609186965 /nfs/dbraw/zinc/18/69/65/609186965.db2.gz LEZFUJFRMIWWNM-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1-c1ccc(F)cc1 ZINC000826260378 609186966 /nfs/dbraw/zinc/18/69/66/609186966.db2.gz LEZFUJFRMIWWNM-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM N#CC1(c2ccc(COC(=O)COc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826381144 609244638 /nfs/dbraw/zinc/24/46/38/609244638.db2.gz ZCNWYANJXRKCFQ-UHFFFAOYSA-N -1 3 375.388 2.544 20 30 GFEDHM N#CC1(c2ccc(COC(=O)COc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380606 609244892 /nfs/dbraw/zinc/24/48/92/609244892.db2.gz HIFZZOXHDFCAFJ-UHFFFAOYSA-N -1 3 375.388 2.544 20 30 GFEDHM N#CC1(c2ccc(COC(=O)COc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380606 609244894 /nfs/dbraw/zinc/24/48/94/609244894.db2.gz HIFZZOXHDFCAFJ-UHFFFAOYSA-N -1 3 375.388 2.544 20 30 GFEDHM Cn1cc(C=NNCc2cc(F)ccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359640 609304969 /nfs/dbraw/zinc/30/49/69/609304969.db2.gz MMBLJDLNOUFHSK-UHFFFAOYSA-N -1 3 394.389 2.669 20 30 GFEDHM Cn1cc(C=NNCc2cc(F)ccc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359640 609304972 /nfs/dbraw/zinc/30/49/72/609304972.db2.gz MMBLJDLNOUFHSK-UHFFFAOYSA-N -1 3 394.389 2.669 20 30 GFEDHM N#Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826386912 609337732 /nfs/dbraw/zinc/33/77/32/609337732.db2.gz YEQQSILIDCHXAK-UHFFFAOYSA-N -1 3 384.193 2.858 20 30 GFEDHM N#Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826386912 609337733 /nfs/dbraw/zinc/33/77/33/609337733.db2.gz YEQQSILIDCHXAK-UHFFFAOYSA-N -1 3 384.193 2.858 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823874003 609349154 /nfs/dbraw/zinc/34/91/54/609349154.db2.gz QWEPZGOWSKAATK-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823874003 609349155 /nfs/dbraw/zinc/34/91/55/609349155.db2.gz QWEPZGOWSKAATK-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823909421 609449627 /nfs/dbraw/zinc/44/96/27/609449627.db2.gz CVXHEXLXLZHAID-UHFFFAOYSA-N -1 3 393.856 2.533 20 30 GFEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000824753553 609451843 /nfs/dbraw/zinc/45/18/43/609451843.db2.gz FAKKZRNICHHMPI-SECBINFHSA-N -1 3 384.387 2.738 20 30 GFEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000824753553 609451845 /nfs/dbraw/zinc/45/18/45/609451845.db2.gz FAKKZRNICHHMPI-SECBINFHSA-N -1 3 384.387 2.738 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(CC#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260191 609512997 /nfs/dbraw/zinc/51/29/97/609512997.db2.gz AFBSMGNXMKOTFX-UHFFFAOYSA-N -1 3 384.403 2.679 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(CC#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260191 609512998 /nfs/dbraw/zinc/51/29/98/609512998.db2.gz AFBSMGNXMKOTFX-UHFFFAOYSA-N -1 3 384.403 2.679 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c(Cl)c1 ZINC000826385966 609537040 /nfs/dbraw/zinc/53/70/40/609537040.db2.gz JSHKFIQQTLOLMG-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000826385966 609537042 /nfs/dbraw/zinc/53/70/42/609537042.db2.gz JSHKFIQQTLOLMG-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000823932432 609551129 /nfs/dbraw/zinc/55/11/29/609551129.db2.gz YGRQHTPIPWQATR-UHFFFAOYSA-N -1 3 392.824 2.853 20 30 GFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000823932432 609551132 /nfs/dbraw/zinc/55/11/32/609551132.db2.gz YGRQHTPIPWQATR-UHFFFAOYSA-N -1 3 392.824 2.853 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCC#N)c(Cl)cc1Cl ZINC000098074425 655039325 /nfs/dbraw/zinc/03/93/25/655039325.db2.gz GMZBSIFXBMSHMU-UHFFFAOYSA-N -1 3 392.308 2.913 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H](SC)C2)ccc1F ZINC000154016930 655072936 /nfs/dbraw/zinc/07/29/36/655072936.db2.gz QGAYFWLOOQEZPI-AWEZNQCLSA-N -1 3 386.514 2.648 20 30 GFEDHM O=C1CNC(=O)N1Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255777895 655440482 /nfs/dbraw/zinc/44/04/82/655440482.db2.gz TVDBFFLFMIUSRF-UHFFFAOYSA-N -1 3 388.221 2.957 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)o1 ZINC000264493045 655465011 /nfs/dbraw/zinc/46/50/11/655465011.db2.gz TUPLMVCSUJXBAW-LLVKDONJSA-N -1 3 379.463 2.692 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)CC(F)(F)F)ccc1F ZINC000840513653 661167571 /nfs/dbraw/zinc/16/75/71/661167571.db2.gz AQGXDMNZAHLZDK-JTQLQIEISA-N -1 3 382.379 2.608 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(Cl)n2)ccc1F ZINC000744688105 655743688 /nfs/dbraw/zinc/74/36/88/655743688.db2.gz NNSMHMKKGQYCQT-UHFFFAOYSA-N -1 3 384.816 2.695 20 30 GFEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000768886432 656258971 /nfs/dbraw/zinc/25/89/71/656258971.db2.gz DDEANLUXKJBVAS-SNVBAGLBSA-N -1 3 381.679 2.938 20 30 GFEDHM CCOc1cc(C=NNC(=S)NCCSC)cc(Br)c1[O-] ZINC000769602727 656282084 /nfs/dbraw/zinc/28/20/84/656282084.db2.gz PVSFQGLEJFKANC-UHFFFAOYSA-N -1 3 392.344 2.714 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(C)(C)C ZINC000805148266 659751184 /nfs/dbraw/zinc/75/11/84/659751184.db2.gz XLIKTQZASZBCDS-GFCCVEGCSA-N -1 3 375.244 2.684 20 30 GFEDHM N#Cc1cc(Br)ccc1COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000805444944 659780030 /nfs/dbraw/zinc/78/00/30/659780030.db2.gz DTNIOTYVYIDFEE-UHFFFAOYSA-N -1 3 385.173 2.561 20 30 GFEDHM C#CCONC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc1Cl ZINC000812781135 660034430 /nfs/dbraw/zinc/03/44/30/660034430.db2.gz GWILBCJKXFIRMH-JTQLQIEISA-N -1 3 393.292 2.755 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000815044915 660106685 /nfs/dbraw/zinc/10/66/85/660106685.db2.gz KBNUIPXDZHDOLK-LLVKDONJSA-N -1 3 395.765 2.884 20 30 GFEDHM CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816690499 660165541 /nfs/dbraw/zinc/16/55/41/660165541.db2.gz UCRHMTWHLJSZRY-UKRRQHHQSA-N -1 3 383.286 2.760 20 30 GFEDHM C=C(C)CONC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000846540246 661555625 /nfs/dbraw/zinc/55/56/25/661555625.db2.gz OLBKHIDTHVNSGP-UHFFFAOYSA-N -1 3 379.265 2.672 20 30 GFEDHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848136874 661627251 /nfs/dbraw/zinc/62/72/51/661627251.db2.gz SXCSHSXSHPNIQI-MFKMUULPSA-N -1 3 379.869 2.865 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCOCC1 ZINC000851827257 661835812 /nfs/dbraw/zinc/83/58/12/661835812.db2.gz IBQQERGIEPISOD-CYBMUJFWSA-N -1 3 392.702 2.809 20 30 GFEDHM CCCCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000859247024 662147461 /nfs/dbraw/zinc/14/74/61/662147461.db2.gz MVRHFLOJRFDGKZ-UHFFFAOYSA-N -1 3 392.543 2.706 20 30 GFEDHM C#CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000885840952 663098971 /nfs/dbraw/zinc/09/89/71/663098971.db2.gz SDSWIKTWVPTYEH-UHFFFAOYSA-N -1 3 392.702 2.953 20 30 GFEDHM C#CCC1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC000885840645 663099019 /nfs/dbraw/zinc/09/90/19/663099019.db2.gz KLYAAZJRFSHMET-UHFFFAOYSA-N -1 3 392.702 2.953 20 30 GFEDHM C=CCN(CC(=O)[O-])Cc1cc(Br)cc(Br)c1N ZINC000901586949 663738533 /nfs/dbraw/zinc/73/85/33/663738533.db2.gz PVBYLUUSFOWWBT-UHFFFAOYSA-N -1 3 378.064 2.866 20 30 GFEDHM C=CCOC[C@H](NCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC000901808288 663746537 /nfs/dbraw/zinc/74/65/37/663746537.db2.gz CTYAHGZHSYTDRZ-NSHDSACASA-N -1 3 380.185 2.796 20 30 GFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000904013311 663817084 /nfs/dbraw/zinc/81/70/84/663817084.db2.gz CLKRSEHNIJRLMM-LLVKDONJSA-N -1 3 390.177 2.708 20 30 GFEDHM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)N([O-])Cc1ccccc1Cl ZINC000904190190 663827510 /nfs/dbraw/zinc/82/75/10/663827510.db2.gz JRSFXYZDZZWTQF-IJEWVQPXSA-N -1 3 383.901 2.784 20 30 GFEDHM CCS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)s1 ZINC000907862598 664067311 /nfs/dbraw/zinc/06/73/11/664067311.db2.gz ZWJDMYXSYOVONZ-UHFFFAOYSA-N -1 3 384.429 2.822 20 30 GFEDHM C=CCN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000908945214 664138071 /nfs/dbraw/zinc/13/80/71/664138071.db2.gz CBRUCKLMMDQCTJ-HNNXBMFYSA-N -1 3 396.285 2.524 20 30 GFEDHM C#CCN(C)CCCNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909037811 664142140 /nfs/dbraw/zinc/14/21/40/664142140.db2.gz NNZZGKSMBHDFMK-QGZVFWFLSA-N -1 3 386.279 2.548 20 30 GFEDHM N#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000011370848 551106641 /nfs/dbraw/zinc/10/66/41/551106641.db2.gz SUOFDROAZKHYCO-UHFFFAOYSA-N -1 3 384.244 2.782 20 30 GFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)N1CCc2sccc2C1 ZINC000156408144 551522406 /nfs/dbraw/zinc/52/24/06/551522406.db2.gz JIWZTYYSFAMUTO-LBPRGKRZSA-N -1 3 395.937 2.998 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000171537131 551657446 /nfs/dbraw/zinc/65/74/46/551657446.db2.gz BDCSQLUNLXSYDI-UHFFFAOYSA-N -1 3 377.279 2.517 20 30 GFEDHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c1 ZINC000175225844 552118435 /nfs/dbraw/zinc/11/84/35/552118435.db2.gz DKKYCCAWADPHCZ-UHFFFAOYSA-N -1 3 381.251 2.808 20 30 GFEDHM C[C@]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000178600917 552173355 /nfs/dbraw/zinc/17/33/55/552173355.db2.gz KBTCRUXKLTWASL-MRXNPFEDSA-N -1 3 398.271 2.544 20 30 GFEDHM N#CCCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000183265794 552304425 /nfs/dbraw/zinc/30/44/25/552304425.db2.gz LXLGAAYCHOJUON-AWEZNQCLSA-N -1 3 390.292 2.712 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000185919937 552373997 /nfs/dbraw/zinc/37/39/97/552373997.db2.gz YZQSYWGDLPUACF-UHFFFAOYSA-N -1 3 378.313 2.582 20 30 GFEDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1F ZINC000373826225 563352755 /nfs/dbraw/zinc/35/27/55/563352755.db2.gz WXKGRDAIVHWVMY-OAHLLOKOSA-N -1 3 376.438 2.560 20 30 GFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)COc2cccc(Cl)c2Cl)c1[O-] ZINC000299214532 563377931 /nfs/dbraw/zinc/37/79/31/563377931.db2.gz LRFVPDOGWCDAMI-TWCVRMSCSA-N -1 3 385.247 2.754 20 30 GFEDHM CC1(C#N)CN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)C1 ZINC000281707877 563384256 /nfs/dbraw/zinc/38/42/56/563384256.db2.gz HMZMTGCRDCDNRB-UHFFFAOYSA-N -1 3 393.184 2.531 20 30 GFEDHM N#Cc1cc2c(nc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1)CCCC2 ZINC000301949841 563416603 /nfs/dbraw/zinc/41/66/03/563416603.db2.gz ZEUKALVAWNSFPV-UHFFFAOYSA-N -1 3 396.925 2.937 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000329186887 563474748 /nfs/dbraw/zinc/47/47/48/563474748.db2.gz AYFHDEWRCKSSQN-KMUNFCNLSA-N -1 3 397.294 2.557 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000329231281 563475809 /nfs/dbraw/zinc/47/58/09/563475809.db2.gz KNUSFCSUYBHYDZ-CYBMUJFWSA-N -1 3 398.326 2.616 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000329297934 563478229 /nfs/dbraw/zinc/47/82/29/563478229.db2.gz UCHDUUHVJHEVDU-OAHLLOKOSA-N -1 3 399.310 2.948 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1nccs1 ZINC000433015969 563601240 /nfs/dbraw/zinc/60/12/40/563601240.db2.gz ZSDPZDHQDJEEDS-UHFFFAOYSA-N -1 3 386.296 2.991 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)NCC2(CC#N)CC2)cc(C(F)(F)F)c1 ZINC000435233070 563646590 /nfs/dbraw/zinc/64/65/90/563646590.db2.gz RWKIOUAJBCDALK-UHFFFAOYSA-N -1 3 375.372 2.501 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc2c(c1)OCCO2 ZINC000435444432 563651900 /nfs/dbraw/zinc/65/19/00/563651900.db2.gz XIGAKYPJMTZIER-UHFFFAOYSA-N -1 3 378.475 2.647 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000435597266 563654379 /nfs/dbraw/zinc/65/43/79/563654379.db2.gz KTSQPJOPBXRVCY-YGRLFVJLSA-N -1 3 378.263 2.848 20 30 GFEDHM C=C(C)CN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438362529 563705224 /nfs/dbraw/zinc/70/52/24/563705224.db2.gz ZSOPLTRLAXOMRA-UHFFFAOYSA-N -1 3 379.404 2.957 20 30 GFEDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(C#N)c1 ZINC000442119557 563768747 /nfs/dbraw/zinc/76/87/47/563768747.db2.gz OLCLGQHTSWICPH-GFCCVEGCSA-N -1 3 381.860 2.980 20 30 GFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416525240 563842733 /nfs/dbraw/zinc/84/27/33/563842733.db2.gz AQLCGWBVPATARF-UHFFFAOYSA-N -1 3 376.232 2.575 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000508145874 564256566 /nfs/dbraw/zinc/25/65/66/564256566.db2.gz UQDVRANZWWZHEY-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM C[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000473946415 564258695 /nfs/dbraw/zinc/25/86/95/564258695.db2.gz CJCUUDHPHQPDLY-LBPRGKRZSA-N -1 3 375.416 2.730 20 30 GFEDHM C=CCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474368512 564276207 /nfs/dbraw/zinc/27/62/07/564276207.db2.gz GZLAYHOQRZAWLM-CYBMUJFWSA-N -1 3 377.293 2.984 20 30 GFEDHM N#CCC1(CS(=O)(=O)[N-][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000451508794 564321210 /nfs/dbraw/zinc/32/12/10/564321210.db2.gz YHWJIHYMLNGIHP-LBPRGKRZSA-N -1 3 389.246 2.635 20 30 GFEDHM C[C@@]1(c2ccc(CNc3ccc(Br)cc3C#N)cc2)NC(=O)[N-]C1=O ZINC000543032621 564336575 /nfs/dbraw/zinc/33/65/75/564336575.db2.gz VWPMJGGOTKRVDT-SFHVURJKSA-N -1 3 399.248 2.987 20 30 GFEDHM C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000510642336 564341630 /nfs/dbraw/zinc/34/16/30/564341630.db2.gz AQNDJPJKHVEQNB-HSZRJFAPSA-N -1 3 382.894 2.569 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)c(C(F)(F)F)c1 ZINC000511171268 564361486 /nfs/dbraw/zinc/36/14/86/564361486.db2.gz QNHDKJBMNAJACK-CYBMUJFWSA-N -1 3 376.400 2.797 20 30 GFEDHM C=CCSCCNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000543745571 564361665 /nfs/dbraw/zinc/36/16/65/564361665.db2.gz BSDUYJOUXYUHGR-UHFFFAOYSA-N -1 3 377.491 2.679 20 30 GFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1I ZINC000545446758 564423731 /nfs/dbraw/zinc/42/37/31/564423731.db2.gz UPELRHLCAIRHGE-JTQLQIEISA-N -1 3 379.157 2.580 20 30 GFEDHM C[C@](CO)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000480854377 564491250 /nfs/dbraw/zinc/49/12/50/564491250.db2.gz RVNXIPCFMYLMAD-GOSISDBHSA-N -1 3 378.881 2.731 20 30 GFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)c(F)c1 ZINC000516799187 564512300 /nfs/dbraw/zinc/51/23/00/564512300.db2.gz MSETUTFMMVFHFN-CYBMUJFWSA-N -1 3 386.788 2.526 20 30 GFEDHM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000549883804 564607966 /nfs/dbraw/zinc/60/79/66/564607966.db2.gz BVGPUVIRHOVKNC-HNNXBMFYSA-N -1 3 387.299 2.540 20 30 GFEDHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486532343 564655776 /nfs/dbraw/zinc/65/57/76/564655776.db2.gz BUACUVYEPNFMCB-UHFFFAOYSA-N -1 3 384.866 2.806 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000553809011 564737935 /nfs/dbraw/zinc/73/79/35/564737935.db2.gz DSAVSFJZLWPGGC-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCC1 ZINC000553871511 564742781 /nfs/dbraw/zinc/74/27/81/564742781.db2.gz NIEIBWQIALBXKW-GFCCVEGCSA-N -1 3 387.299 2.540 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000489659791 564747700 /nfs/dbraw/zinc/74/77/00/564747700.db2.gz WGVOEHZNZGSXPG-CYBMUJFWSA-N -1 3 376.400 2.696 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)[C@@H]1OCCc2sccc21 ZINC000490526406 564775597 /nfs/dbraw/zinc/77/55/97/564775597.db2.gz HSPHJMJYLCWWFF-DIFFPNOSSA-N -1 3 380.466 2.881 20 30 GFEDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000581155321 564790411 /nfs/dbraw/zinc/79/04/11/564790411.db2.gz WURYTWQNARPGFP-MRXNPFEDSA-N -1 3 387.889 2.914 20 30 GFEDHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000581267577 564795502 /nfs/dbraw/zinc/79/55/02/564795502.db2.gz AZVDNGDJBXZDOL-SSDOTTSWSA-N -1 3 399.284 2.970 20 30 GFEDHM Cn1c2ccc(Cl)cc2nc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000492100983 564798860 /nfs/dbraw/zinc/79/88/60/564798860.db2.gz AKVPFPSZTNVESS-UHFFFAOYSA-N -1 3 378.816 2.716 20 30 GFEDHM C=CCN(CCC#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000557384539 564862027 /nfs/dbraw/zinc/86/20/27/564862027.db2.gz UZZTVAIMDFADJC-UHFFFAOYSA-N -1 3 395.531 2.830 20 30 GFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000583665421 564901397 /nfs/dbraw/zinc/90/13/97/564901397.db2.gz WVXNNJRORVDDJV-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2)nc1C ZINC000465501177 564928739 /nfs/dbraw/zinc/92/87/39/564928739.db2.gz HUQDGUIOSAWMQU-NSHDSACASA-N -1 3 379.463 2.539 20 30 GFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)c1 ZINC000559640124 564937962 /nfs/dbraw/zinc/93/79/62/564937962.db2.gz UACFPLWGPLISGZ-UHFFFAOYSA-N -1 3 376.235 2.671 20 30 GFEDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000559640043 564938339 /nfs/dbraw/zinc/93/83/39/564938339.db2.gz UISSFGABFXXPOK-LBPRGKRZSA-N -1 3 396.310 2.959 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc2O1 ZINC000561479286 564996812 /nfs/dbraw/zinc/99/68/12/564996812.db2.gz LNKHVGRKIKGCQW-GFCCVEGCSA-N -1 3 393.262 2.603 20 30 GFEDHM C=CCCCCNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000561696002 565005791 /nfs/dbraw/zinc/00/57/91/565005791.db2.gz GNLNDHSWGZWYGA-UHFFFAOYSA-N -1 3 394.324 2.927 20 30 GFEDHM C=CCCc1ccccc1NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000505046244 565047830 /nfs/dbraw/zinc/04/78/30/565047830.db2.gz QPZLOXFNYFWSHF-UHFFFAOYSA-N -1 3 379.507 2.967 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000640291882 565293844 /nfs/dbraw/zinc/29/38/44/565293844.db2.gz GHWSLVLVQDOJJZ-UHFFFAOYSA-N -1 3 379.814 2.683 20 30 GFEDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593567926 565342349 /nfs/dbraw/zinc/34/23/49/565342349.db2.gz FFCVHDPSMGXIBW-LBPRGKRZSA-N -1 3 380.491 2.794 20 30 GFEDHM COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000619548067 565347976 /nfs/dbraw/zinc/34/79/76/565347976.db2.gz BKQRYOZKPPRYOK-HNNXBMFYSA-N -1 3 378.475 2.839 20 30 GFEDHM C=C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)OC ZINC000619689073 565355002 /nfs/dbraw/zinc/35/50/02/565355002.db2.gz YQVCILUOVFHQHJ-LBPRGKRZSA-N -1 3 376.825 2.994 20 30 GFEDHM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594866524 565432704 /nfs/dbraw/zinc/43/27/04/565432704.db2.gz QXGWCZVVDQIMDI-MRXNPFEDSA-N -1 3 384.454 2.651 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCN1Cc1ccccc1 ZINC000595394561 565472621 /nfs/dbraw/zinc/47/26/21/565472621.db2.gz HSXSQLLQLDTCOF-OAHLLOKOSA-N -1 3 375.881 2.764 20 30 GFEDHM C[C@H](C#N)N(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000598123283 565595040 /nfs/dbraw/zinc/59/50/40/565595040.db2.gz LFDKMWVJARBVGR-SNVBAGLBSA-N -1 3 390.292 2.565 20 30 GFEDHM CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OCC ZINC000599367556 565672120 /nfs/dbraw/zinc/67/21/20/565672120.db2.gz IYRJOJKLPHGMTC-CYBMUJFWSA-N -1 3 375.288 2.804 20 30 GFEDHM N#CCN1CCC([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000609334614 566035368 /nfs/dbraw/zinc/03/53/68/566035368.db2.gz WJXUJJQDZANKLL-UHFFFAOYSA-N -1 3 396.925 2.730 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc(Br)c2)c(F)c1 ZINC000610082568 566066150 /nfs/dbraw/zinc/06/61/50/566066150.db2.gz RCLLBTQMXQHIND-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM Cn1nc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)cc1OC(F)F ZINC000633731911 566117898 /nfs/dbraw/zinc/11/78/98/566117898.db2.gz SSPRXGLYIDBBJM-UHFFFAOYSA-N -1 3 393.244 2.779 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737524505 598826495 /nfs/dbraw/zinc/82/64/95/598826495.db2.gz MDSZFMDIWWWGQK-UHFFFAOYSA-N -1 3 381.403 2.606 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737524505 598826496 /nfs/dbraw/zinc/82/64/96/598826496.db2.gz MDSZFMDIWWWGQK-UHFFFAOYSA-N -1 3 381.403 2.606 20 30 GFEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)s1 ZINC000737711122 598836123 /nfs/dbraw/zinc/83/61/23/598836123.db2.gz ZSWDALAODAFEOV-UHFFFAOYSA-N -1 3 387.428 2.792 20 30 GFEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)s1 ZINC000737711122 598836124 /nfs/dbraw/zinc/83/61/24/598836124.db2.gz ZSWDALAODAFEOV-UHFFFAOYSA-N -1 3 387.428 2.792 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735390154 598874544 /nfs/dbraw/zinc/87/45/44/598874544.db2.gz PYVDPCVTMHJUTK-UHFFFAOYSA-N -1 3 385.424 2.591 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735390154 598874546 /nfs/dbraw/zinc/87/45/46/598874546.db2.gz PYVDPCVTMHJUTK-UHFFFAOYSA-N -1 3 385.424 2.591 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736308438 598876856 /nfs/dbraw/zinc/87/68/56/598876856.db2.gz DKWMNELUZJUFEF-INIZCTEOSA-N -1 3 377.408 2.869 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736308438 598876857 /nfs/dbraw/zinc/87/68/57/598876857.db2.gz DKWMNELUZJUFEF-INIZCTEOSA-N -1 3 377.408 2.869 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736040740 598885207 /nfs/dbraw/zinc/88/52/07/598885207.db2.gz RDZJCOJJCDOARG-AWEZNQCLSA-N -1 3 377.404 2.682 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736040740 598885209 /nfs/dbraw/zinc/88/52/09/598885209.db2.gz RDZJCOJJCDOARG-AWEZNQCLSA-N -1 3 377.404 2.682 20 30 GFEDHM CC(C)Oc1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1Cl ZINC000735914363 598913298 /nfs/dbraw/zinc/91/32/98/598913298.db2.gz QAMOGTBOPCUNTL-UHFFFAOYSA-N -1 3 383.799 2.826 20 30 GFEDHM CC(C)Oc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1Cl ZINC000735914363 598913300 /nfs/dbraw/zinc/91/33/00/598913300.db2.gz QAMOGTBOPCUNTL-UHFFFAOYSA-N -1 3 383.799 2.826 20 30 GFEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Br)o2)ccc1-c1nnn[n-]1 ZINC000737703754 598915464 /nfs/dbraw/zinc/91/54/64/598915464.db2.gz FKWYTGWEKHSUHQ-ZZXKWVIFSA-N -1 3 385.181 2.746 20 30 GFEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Br)o2)ccc1-c1nn[n-]n1 ZINC000737703754 598915466 /nfs/dbraw/zinc/91/54/66/598915466.db2.gz FKWYTGWEKHSUHQ-ZZXKWVIFSA-N -1 3 385.181 2.746 20 30 GFEDHM N#Cc1cc(NC(=O)COc2ccccc2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737710538 598921886 /nfs/dbraw/zinc/92/18/86/598921886.db2.gz ZAXXVGMJNBYIIU-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1cc(NC(=O)COc2ccccc2C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737710538 598921888 /nfs/dbraw/zinc/92/18/88/598921888.db2.gz ZAXXVGMJNBYIIU-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000737348431 598949352 /nfs/dbraw/zinc/94/93/52/598949352.db2.gz YRIQLTYKQKTJNF-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000737348431 598949354 /nfs/dbraw/zinc/94/93/54/598949354.db2.gz YRIQLTYKQKTJNF-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736481725 598951397 /nfs/dbraw/zinc/95/13/97/598951397.db2.gz UBXDDICOPBDMJO-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736481725 598951398 /nfs/dbraw/zinc/95/13/98/598951398.db2.gz UBXDDICOPBDMJO-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735388001 598965500 /nfs/dbraw/zinc/96/55/00/598965500.db2.gz NXOJEXKAIYCMLG-UHFFFAOYSA-N -1 3 392.419 2.599 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000735388001 598965501 /nfs/dbraw/zinc/96/55/01/598965501.db2.gz NXOJEXKAIYCMLG-UHFFFAOYSA-N -1 3 392.419 2.599 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000736507189 598970001 /nfs/dbraw/zinc/97/00/01/598970001.db2.gz BMHBEAJIJPEHDW-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000736507189 598970002 /nfs/dbraw/zinc/97/00/02/598970002.db2.gz BMHBEAJIJPEHDW-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(-n2cncn2)c(F)c1 ZINC000823503140 599114433 /nfs/dbraw/zinc/11/44/33/599114433.db2.gz BYYNTLSNOAKYKT-VGOFMYFVSA-N -1 3 387.378 2.799 20 30 GFEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(-n2cncn2)c(F)c1 ZINC000823503140 599114435 /nfs/dbraw/zinc/11/44/35/599114435.db2.gz BYYNTLSNOAKYKT-VGOFMYFVSA-N -1 3 387.378 2.799 20 30 GFEDHM CCOc1ccc(NC(=S)NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736647236 599125263 /nfs/dbraw/zinc/12/52/63/599125263.db2.gz NRFLOWNVEZPWDL-UHFFFAOYSA-N -1 3 397.464 2.595 20 30 GFEDHM CCOc1ccc(NC(=S)NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736647236 599125265 /nfs/dbraw/zinc/12/52/65/599125265.db2.gz NRFLOWNVEZPWDL-UHFFFAOYSA-N -1 3 397.464 2.595 20 30 GFEDHM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735664504 599192598 /nfs/dbraw/zinc/19/25/98/599192598.db2.gz JZJVBTJUJRVOAJ-UHFFFAOYSA-N -1 3 399.455 2.760 20 30 GFEDHM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735664504 599192600 /nfs/dbraw/zinc/19/26/00/599192600.db2.gz JZJVBTJUJRVOAJ-UHFFFAOYSA-N -1 3 399.455 2.760 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)ccc1-c1nnn[n-]1 ZINC000737707876 599194231 /nfs/dbraw/zinc/19/42/31/599194231.db2.gz BVSZSPJRSJIDII-UHFFFAOYSA-N -1 3 389.350 2.714 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)ccc1-c1nn[n-]n1 ZINC000737707876 599194234 /nfs/dbraw/zinc/19/42/34/599194234.db2.gz BVSZSPJRSJIDII-UHFFFAOYSA-N -1 3 389.350 2.714 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735410124 599217770 /nfs/dbraw/zinc/21/77/70/599217770.db2.gz UVXPEVYQTUHIQX-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735410124 599217771 /nfs/dbraw/zinc/21/77/71/599217771.db2.gz UVXPEVYQTUHIQX-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735410287 599218473 /nfs/dbraw/zinc/21/84/73/599218473.db2.gz YYDQYHQXRDLPOL-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735410287 599218475 /nfs/dbraw/zinc/21/84/75/599218475.db2.gz YYDQYHQXRDLPOL-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737802901 599221791 /nfs/dbraw/zinc/22/17/91/599221791.db2.gz YBGSEDIHWLIPMR-WTKPLQERSA-N -1 3 390.371 2.759 20 30 GFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737802901 599221793 /nfs/dbraw/zinc/22/17/93/599221793.db2.gz YBGSEDIHWLIPMR-WTKPLQERSA-N -1 3 390.371 2.759 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000737698326 599242527 /nfs/dbraw/zinc/24/25/27/599242527.db2.gz XBGWBPBSKAAYNZ-UHFFFAOYSA-N -1 3 375.797 2.841 20 30 GFEDHM N#Cc1ccc(CN2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cc1 ZINC000737712511 599257430 /nfs/dbraw/zinc/25/74/30/599257430.db2.gz QPAUHDFVHDIXTN-UHFFFAOYSA-N -1 3 396.458 2.609 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C=NOC)cc1 ZINC000736489323 599278227 /nfs/dbraw/zinc/27/82/27/599278227.db2.gz XUFBWOYNAFTFCZ-UHFFFAOYSA-N -1 3 379.424 2.921 20 30 GFEDHM C=C(Br)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819718409 599288404 /nfs/dbraw/zinc/28/84/04/599288404.db2.gz FVEDNYBCEVNSJX-UHFFFAOYSA-N -1 3 391.151 2.916 20 30 GFEDHM C=C(Br)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819718409 599288406 /nfs/dbraw/zinc/28/84/06/599288406.db2.gz FVEDNYBCEVNSJX-UHFFFAOYSA-N -1 3 391.151 2.916 20 30 GFEDHM N#Cc1cccc(C(=O)OCCCCOC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822837587 607321381 /nfs/dbraw/zinc/32/13/81/607321381.db2.gz OPIVFODPTWUTRZ-UHFFFAOYSA-N -1 3 391.387 2.532 20 30 GFEDHM N#Cc1cccc(C(=O)OCCCCOC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822837587 607321382 /nfs/dbraw/zinc/32/13/82/607321382.db2.gz OPIVFODPTWUTRZ-UHFFFAOYSA-N -1 3 391.387 2.532 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C)cc1F ZINC000735425650 598251564 /nfs/dbraw/zinc/25/15/64/598251564.db2.gz DBUQUWNBSLSOBW-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C)cc1F ZINC000735425650 598251565 /nfs/dbraw/zinc/25/15/65/598251565.db2.gz DBUQUWNBSLSOBW-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735430166 598273104 /nfs/dbraw/zinc/27/31/04/598273104.db2.gz YZDUMWCGIPBUGU-CYBMUJFWSA-N -1 3 394.435 2.770 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735430166 598273106 /nfs/dbraw/zinc/27/31/06/598273106.db2.gz YZDUMWCGIPBUGU-CYBMUJFWSA-N -1 3 394.435 2.770 20 30 GFEDHM C#CCn1c(-c2ccc(-c3nnn[n-]3)cc2)csc1=NCCc1ccccn1 ZINC000735388041 598293768 /nfs/dbraw/zinc/29/37/68/598293768.db2.gz PUOZBMYFJVYBBW-UHFFFAOYSA-N -1 3 387.472 2.568 20 30 GFEDHM C#CCn1c(-c2ccc(-c3nn[n-]n3)cc2)csc1=NCCc1ccccn1 ZINC000735388041 598293769 /nfs/dbraw/zinc/29/37/69/598293769.db2.gz PUOZBMYFJVYBBW-UHFFFAOYSA-N -1 3 387.472 2.568 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000737198944 598491366 /nfs/dbraw/zinc/49/13/66/598491366.db2.gz KVNYZAMENWQRIU-CYBMUJFWSA-N -1 3 392.419 2.693 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(N(C)C)sc1=S ZINC000735425637 598535564 /nfs/dbraw/zinc/53/55/64/598535564.db2.gz DAADESLNIDAIFZ-UHFFFAOYSA-N -1 3 388.526 2.566 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(N(C)C)sc1=S ZINC000735425637 598535566 /nfs/dbraw/zinc/53/55/66/598535566.db2.gz DAADESLNIDAIFZ-UHFFFAOYSA-N -1 3 388.526 2.566 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COc2ccc(-c3nnn[n-]3)c(F)c2)c1C#N ZINC000737503384 598549347 /nfs/dbraw/zinc/54/93/47/598549347.db2.gz IPUPARVDZAZMJT-UHFFFAOYSA-N -1 3 375.367 2.951 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COc2ccc(-c3nn[n-]n3)c(F)c2)c1C#N ZINC000737503384 598549348 /nfs/dbraw/zinc/54/93/48/598549348.db2.gz IPUPARVDZAZMJT-UHFFFAOYSA-N -1 3 375.367 2.951 20 30 GFEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821680443 607358843 /nfs/dbraw/zinc/35/88/43/607358843.db2.gz JKEBNNJQPXDSBP-HXUWFJFHSA-N -1 3 392.419 2.626 20 30 GFEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821680443 607358845 /nfs/dbraw/zinc/35/88/45/607358845.db2.gz JKEBNNJQPXDSBP-HXUWFJFHSA-N -1 3 392.419 2.626 20 30 GFEDHM N#Cc1ccc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737718914 598620525 /nfs/dbraw/zinc/62/05/25/598620525.db2.gz QIKQKDGVGNOLGH-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821165396 607363532 /nfs/dbraw/zinc/36/35/32/607363532.db2.gz QXUUFCZLJMFWIA-CYBMUJFWSA-N -1 3 393.451 2.970 20 30 GFEDHM N#Cc1c(Cl)nsc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737705187 598756036 /nfs/dbraw/zinc/75/60/36/598756036.db2.gz LLVCKVYIFNKMSO-UHFFFAOYSA-N -1 3 387.856 2.896 20 30 GFEDHM N#Cc1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000737719830 598756304 /nfs/dbraw/zinc/75/63/04/598756304.db2.gz YAZVTAQZHMQZGS-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736161681 598758846 /nfs/dbraw/zinc/75/88/46/598758846.db2.gz XQFPNRNYWZCYGN-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736161681 598758847 /nfs/dbraw/zinc/75/88/47/598758847.db2.gz XQFPNRNYWZCYGN-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM N#Cc1cccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737731250 598770013 /nfs/dbraw/zinc/77/00/13/598770013.db2.gz ZSWHLQUYQQBUAD-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM C=CCOc1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735436984 598806958 /nfs/dbraw/zinc/80/69/58/598806958.db2.gz BSEXRUYJKPNYGX-UHFFFAOYSA-N -1 3 387.403 2.870 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737034813 599305703 /nfs/dbraw/zinc/30/57/03/599305703.db2.gz LPQWJQZFAOCXDW-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737034813 599305704 /nfs/dbraw/zinc/30/57/04/599305704.db2.gz LPQWJQZFAOCXDW-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM N#Cc1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000737717896 599331460 /nfs/dbraw/zinc/33/14/60/599331460.db2.gz CAOZIURULOVOGU-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM N#Cc1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000737717896 599331463 /nfs/dbraw/zinc/33/14/63/599331463.db2.gz CAOZIURULOVOGU-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM C=CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000819758631 599498262 /nfs/dbraw/zinc/49/82/62/599498262.db2.gz CGQUBAUBTVMYFG-CYBMUJFWSA-N -1 3 379.420 2.931 20 30 GFEDHM C=CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000819758631 599498265 /nfs/dbraw/zinc/49/82/65/599498265.db2.gz CGQUBAUBTVMYFG-CYBMUJFWSA-N -1 3 379.420 2.931 20 30 GFEDHM N#Cc1ccc(CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C2CC2)cc1 ZINC000822825294 599568739 /nfs/dbraw/zinc/56/87/39/599568739.db2.gz AYVJMQBJPCBKRX-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM N#Cc1ccc(CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C2CC2)cc1 ZINC000822825294 599568741 /nfs/dbraw/zinc/56/87/41/599568741.db2.gz AYVJMQBJPCBKRX-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)Cc1c(C)noc1C ZINC000735418567 599613721 /nfs/dbraw/zinc/61/37/21/599613721.db2.gz GWJBMSCPTUSLHK-CYBMUJFWSA-N -1 3 395.467 2.800 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)Cc1c(C)noc1C ZINC000735418567 599613723 /nfs/dbraw/zinc/61/37/23/599613723.db2.gz GWJBMSCPTUSLHK-CYBMUJFWSA-N -1 3 395.467 2.800 20 30 GFEDHM C=CCC[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000819734807 607388772 /nfs/dbraw/zinc/38/87/72/607388772.db2.gz UKKCEHFSHJVYRL-QGZVFWFLSA-N -1 3 392.467 2.680 20 30 GFEDHM C=CCC[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000819734807 607388774 /nfs/dbraw/zinc/38/87/74/607388774.db2.gz UKKCEHFSHJVYRL-QGZVFWFLSA-N -1 3 392.467 2.680 20 30 GFEDHM C=CCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734199 607390176 /nfs/dbraw/zinc/39/01/76/607390176.db2.gz JZLRYGAFOYLARC-GOSISDBHSA-N -1 3 383.477 2.994 20 30 GFEDHM C=CCC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734199 607390178 /nfs/dbraw/zinc/39/01/78/607390178.db2.gz JZLRYGAFOYLARC-GOSISDBHSA-N -1 3 383.477 2.994 20 30 GFEDHM CC(C)n1ccnc1CN1CCCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827192867 601314522 /nfs/dbraw/zinc/31/45/22/601314522.db2.gz MWBMYQADSUDOMQ-FQEVSTJZSA-N -1 3 381.480 2.669 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)c1 ZINC000826386538 607698558 /nfs/dbraw/zinc/69/85/58/607698558.db2.gz JDWLOXFKFJQTLP-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)c1 ZINC000826386538 607698559 /nfs/dbraw/zinc/69/85/59/607698559.db2.gz JDWLOXFKFJQTLP-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1ccc(N2CC[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822829824 606245766 /nfs/dbraw/zinc/24/57/66/606245766.db2.gz KUMCBWREKYZWGL-MRXNPFEDSA-N -1 3 379.811 2.609 20 30 GFEDHM N#Cc1ccc(N2CC[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822829824 606245768 /nfs/dbraw/zinc/24/57/68/606245768.db2.gz KUMCBWREKYZWGL-MRXNPFEDSA-N -1 3 379.811 2.609 20 30 GFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCC(O)CC2)cc1 ZINC000822923274 606306451 /nfs/dbraw/zinc/30/64/51/606306451.db2.gz PLNXZIJOERJLGX-AATRIKPKSA-N -1 3 381.461 2.785 20 30 GFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCC(O)CC2)cc1 ZINC000822923274 606306453 /nfs/dbraw/zinc/30/64/53/606306453.db2.gz PLNXZIJOERJLGX-AATRIKPKSA-N -1 3 381.461 2.785 20 30 GFEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000822477192 606340078 /nfs/dbraw/zinc/34/00/78/606340078.db2.gz JDMHVZYRKWVSMQ-BQYQJAHWSA-N -1 3 396.414 2.905 20 30 GFEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000822477192 606340079 /nfs/dbraw/zinc/34/00/79/606340079.db2.gz JDMHVZYRKWVSMQ-BQYQJAHWSA-N -1 3 396.414 2.905 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822800930 606504921 /nfs/dbraw/zinc/50/49/21/606504921.db2.gz AZUTVGQUYAUMJS-RBUKOAKNSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822800930 606504922 /nfs/dbraw/zinc/50/49/22/606504922.db2.gz AZUTVGQUYAUMJS-RBUKOAKNSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822800977 606505134 /nfs/dbraw/zinc/50/51/34/606505134.db2.gz CQXQJNUJHIQIQZ-MOPGFXCFSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822800977 606505135 /nfs/dbraw/zinc/50/51/35/606505135.db2.gz CQXQJNUJHIQIQZ-MOPGFXCFSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822802264 606505355 /nfs/dbraw/zinc/50/53/55/606505355.db2.gz YGDGMPTXUDLSOY-CVEARBPZSA-N -1 3 393.476 2.638 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822802264 606505358 /nfs/dbraw/zinc/50/53/58/606505358.db2.gz YGDGMPTXUDLSOY-CVEARBPZSA-N -1 3 393.476 2.638 20 30 GFEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cc(C#N)cs2)c1C ZINC000822482550 606516353 /nfs/dbraw/zinc/51/63/53/606516353.db2.gz VSJXTWVNZBQGPS-UHFFFAOYSA-N -1 3 390.432 2.855 20 30 GFEDHM COc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1Cn1cccn1 ZINC000821777544 606623888 /nfs/dbraw/zinc/62/38/88/606623888.db2.gz HUDJXIVOCIXPTQ-UHFFFAOYSA-N -1 3 388.435 2.956 20 30 GFEDHM COc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1Cn1cccn1 ZINC000821777544 606623890 /nfs/dbraw/zinc/62/38/90/606623890.db2.gz HUDJXIVOCIXPTQ-UHFFFAOYSA-N -1 3 388.435 2.956 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000819745413 606735692 /nfs/dbraw/zinc/73/56/92/606735692.db2.gz BPRDVKOTEVISBY-UHFFFAOYSA-N -1 3 396.838 2.673 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000819745413 606735694 /nfs/dbraw/zinc/73/56/94/606735694.db2.gz BPRDVKOTEVISBY-UHFFFAOYSA-N -1 3 396.838 2.673 20 30 GFEDHM CCN(CC)c1ccnc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000821197874 606820441 /nfs/dbraw/zinc/82/04/41/606820441.db2.gz MURVMKDVEANBSQ-UHFFFAOYSA-N -1 3 377.456 2.655 20 30 GFEDHM CCN(CC)c1ccnc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC000821197874 606820442 /nfs/dbraw/zinc/82/04/42/606820442.db2.gz MURVMKDVEANBSQ-UHFFFAOYSA-N -1 3 377.456 2.655 20 30 GFEDHM C=C[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819730409 606832693 /nfs/dbraw/zinc/83/26/93/606832693.db2.gz YXQGFGFXXMTPLU-SECBINFHSA-N -1 3 388.482 2.707 20 30 GFEDHM C=C[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819730409 606832695 /nfs/dbraw/zinc/83/26/95/606832695.db2.gz YXQGFGFXXMTPLU-SECBINFHSA-N -1 3 388.482 2.707 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccnc1Br ZINC000819745814 606904035 /nfs/dbraw/zinc/90/40/35/606904035.db2.gz RYMCIALSCQXGDE-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccnc1Br ZINC000819745814 606904037 /nfs/dbraw/zinc/90/40/37/606904037.db2.gz RYMCIALSCQXGDE-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000822830171 607032085 /nfs/dbraw/zinc/03/20/85/607032085.db2.gz WJLJJNVTZFEIHN-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000822830171 607032087 /nfs/dbraw/zinc/03/20/87/607032087.db2.gz WJLJJNVTZFEIHN-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000822309344 607125619 /nfs/dbraw/zinc/12/56/19/607125619.db2.gz VFMFQBUUBSKTHY-UHFFFAOYSA-N -1 3 393.426 2.981 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000822309344 607125621 /nfs/dbraw/zinc/12/56/21/607125621.db2.gz VFMFQBUUBSKTHY-UHFFFAOYSA-N -1 3 393.426 2.981 20 30 GFEDHM Cn1c(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)nnc1-c1ccccc1 ZINC000822601399 607147379 /nfs/dbraw/zinc/14/73/79/607147379.db2.gz YWMPTZYVZMWQLO-UHFFFAOYSA-N -1 3 384.407 2.590 20 30 GFEDHM Cn1c(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nnc1-c1ccccc1 ZINC000822601399 607147381 /nfs/dbraw/zinc/14/73/81/607147381.db2.gz YWMPTZYVZMWQLO-UHFFFAOYSA-N -1 3 384.407 2.590 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC000825817537 607787181 /nfs/dbraw/zinc/78/71/81/607787181.db2.gz KJJGBNMZSKQAMA-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1C#N ZINC000825817537 607787182 /nfs/dbraw/zinc/78/71/82/607787182.db2.gz KJJGBNMZSKQAMA-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826162413 607884314 /nfs/dbraw/zinc/88/43/14/607884314.db2.gz AVUDZVUDRXLKMG-CLFYSBASSA-N -1 3 380.404 2.797 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000826162413 607884315 /nfs/dbraw/zinc/88/43/15/607884315.db2.gz AVUDZVUDRXLKMG-CLFYSBASSA-N -1 3 380.404 2.797 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826340916 607945890 /nfs/dbraw/zinc/94/58/90/607945890.db2.gz OXCVEFITTRISRA-UHFFFAOYSA-N -1 3 385.387 2.633 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826340916 607945891 /nfs/dbraw/zinc/94/58/91/607945891.db2.gz OXCVEFITTRISRA-UHFFFAOYSA-N -1 3 385.387 2.633 20 30 GFEDHM C=CCOc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1OC ZINC000823932160 607953689 /nfs/dbraw/zinc/95/36/89/607953689.db2.gz QZIPFWVSHTZOJR-UHFFFAOYSA-N -1 3 377.404 2.643 20 30 GFEDHM C=CCOc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1OC ZINC000823932160 607953690 /nfs/dbraw/zinc/95/36/90/607953690.db2.gz QZIPFWVSHTZOJR-UHFFFAOYSA-N -1 3 377.404 2.643 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826387356 608163746 /nfs/dbraw/zinc/16/37/46/608163746.db2.gz RABMRRYLOWIUOV-WAYWQWQTSA-N -1 3 395.766 2.952 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826387356 608163747 /nfs/dbraw/zinc/16/37/47/608163747.db2.gz RABMRRYLOWIUOV-WAYWQWQTSA-N -1 3 395.766 2.952 20 30 GFEDHM Cn1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(-c2ccccc2)n1 ZINC000826360506 608219015 /nfs/dbraw/zinc/21/90/15/608219015.db2.gz NBTHSXRTPINGQF-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM Cn1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(-c2ccccc2)n1 ZINC000826360506 608219018 /nfs/dbraw/zinc/21/90/18/608219018.db2.gz NBTHSXRTPINGQF-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826340904 608440261 /nfs/dbraw/zinc/44/02/61/608440261.db2.gz OPVPCOZRBRNYDY-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826340904 608440263 /nfs/dbraw/zinc/44/02/63/608440263.db2.gz OPVPCOZRBRNYDY-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM CC(C)(C)Oc1cccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)n1 ZINC000824124256 608527901 /nfs/dbraw/zinc/52/79/01/608527901.db2.gz RKLXFEFTHJQOTH-UHFFFAOYSA-N -1 3 382.453 2.580 20 30 GFEDHM CC(C)(C)Oc1cccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)n1 ZINC000824124256 608527903 /nfs/dbraw/zinc/52/79/03/608527903.db2.gz RKLXFEFTHJQOTH-UHFFFAOYSA-N -1 3 382.453 2.580 20 30 GFEDHM C[C@@H]1CN(c2ccccc2C=[NH+][N-]c2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000824999581 608538623 /nfs/dbraw/zinc/53/86/23/608538623.db2.gz IBURCTQABAMJEY-GFCCVEGCSA-N -1 3 398.858 2.586 20 30 GFEDHM C[C@@H]1CN(c2ccccc2C=[NH+][N-]c2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000824999581 608538625 /nfs/dbraw/zinc/53/86/25/608538625.db2.gz IBURCTQABAMJEY-GFCCVEGCSA-N -1 3 398.858 2.586 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCOc2ccc(F)cc2Cl)nc1N ZINC000826383675 608752959 /nfs/dbraw/zinc/75/29/59/608752959.db2.gz LFJCWYDWTHBTOK-UHFFFAOYSA-N -1 3 391.819 2.679 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCOc2ccc(F)cc2Cl)nc1N ZINC000826383675 608752962 /nfs/dbraw/zinc/75/29/62/608752962.db2.gz LFJCWYDWTHBTOK-UHFFFAOYSA-N -1 3 391.819 2.679 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])n2)c1 ZINC000826386862 608866462 /nfs/dbraw/zinc/86/64/62/608866462.db2.gz VRVINCITRKBSPO-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])n2)c1 ZINC000826386862 608866463 /nfs/dbraw/zinc/86/64/63/608866463.db2.gz VRVINCITRKBSPO-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)ccc21 ZINC000826011081 608882237 /nfs/dbraw/zinc/88/22/37/608882237.db2.gz WEROBYSIVHEZEW-FPYGCLRLSA-N -1 3 377.379 2.811 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)ccc21 ZINC000826011081 608882241 /nfs/dbraw/zinc/88/22/41/608882241.db2.gz WEROBYSIVHEZEW-FPYGCLRLSA-N -1 3 377.379 2.811 20 30 GFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824385193 609226766 /nfs/dbraw/zinc/22/67/66/609226766.db2.gz NUDTXIJEMJVCKR-YVEFUNNKSA-N -1 3 394.460 2.933 20 30 GFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824385193 609226768 /nfs/dbraw/zinc/22/67/68/609226768.db2.gz NUDTXIJEMJVCKR-YVEFUNNKSA-N -1 3 394.460 2.933 20 30 GFEDHM N#CC1(c2ccc(C(=O)OCCOc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826380531 609246717 /nfs/dbraw/zinc/24/67/17/609246717.db2.gz DHCDYUIOFCNYHH-UHFFFAOYSA-N -1 3 375.388 2.658 20 30 GFEDHM CC(=NNc1ccc(Br)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958598 609276943 /nfs/dbraw/zinc/27/69/43/609276943.db2.gz SAWRSIBIMOBLMT-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM CC(=NNc1ccc(Br)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958598 609276945 /nfs/dbraw/zinc/27/69/45/609276945.db2.gz SAWRSIBIMOBLMT-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM CSc1nc(C2CC2)cc(C(=O)N2CCC(CC#N)CC2)c1-c1nnn[n-]1 ZINC000826231497 609422966 /nfs/dbraw/zinc/42/29/66/609422966.db2.gz NQVAZZQXQCXFSI-UHFFFAOYSA-N -1 3 383.481 2.627 20 30 GFEDHM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(-c2cccnc2)n1 ZINC000826360191 609474625 /nfs/dbraw/zinc/47/46/25/609474625.db2.gz AAZNDUVLBDKXDD-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(-c2cccnc2)n1 ZINC000826360191 609474627 /nfs/dbraw/zinc/47/46/27/609474627.db2.gz AAZNDUVLBDKXDD-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM COCCOc1ccc(C#N)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826162836 609485695 /nfs/dbraw/zinc/48/56/95/609485695.db2.gz UNRBSTSBIJQDDS-UHFFFAOYSA-N -1 3 394.435 2.645 20 30 GFEDHM COCCOc1ccc(C#N)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826162836 609485698 /nfs/dbraw/zinc/48/56/98/609485698.db2.gz UNRBSTSBIJQDDS-UHFFFAOYSA-N -1 3 394.435 2.645 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258235 609571806 /nfs/dbraw/zinc/57/18/06/609571806.db2.gz DWMATFWZDYACDG-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258235 609571807 /nfs/dbraw/zinc/57/18/07/609571807.db2.gz DWMATFWZDYACDG-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824035468 609624812 /nfs/dbraw/zinc/62/48/12/609624812.db2.gz YORWPZTVTMJJGV-LBPRGKRZSA-N -1 3 380.433 2.888 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824035468 609624813 /nfs/dbraw/zinc/62/48/13/609624813.db2.gz YORWPZTVTMJJGV-LBPRGKRZSA-N -1 3 380.433 2.888 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Br)ccn1 ZINC000123530976 654758653 /nfs/dbraw/zinc/75/86/53/654758653.db2.gz BGVDAUPLIZLEIZ-UHFFFAOYSA-N -1 3 375.226 2.592 20 30 GFEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000056120881 654789422 /nfs/dbraw/zinc/78/94/22/654789422.db2.gz XAUNMIJNIJEQEC-UHFFFAOYSA-N -1 3 383.256 2.892 20 30 GFEDHM Cn1ccc(N2CCC[C@H](/N=C/c3cc(Br)ccc3[O-])C2=O)n1 ZINC000132394085 654936597 /nfs/dbraw/zinc/93/65/97/654936597.db2.gz WRQWCSUASUPMCV-SGPNVBEDSA-N -1 3 377.242 2.503 20 30 GFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000070119014 654992123 /nfs/dbraw/zinc/99/21/23/654992123.db2.gz WWLWYAYVTPLVCD-UHFFFAOYSA-N -1 3 381.089 2.902 20 30 GFEDHM C=CCOC(=O)c1sc2[n-]c(Cc3ncc(Cl)n3C)nc(=O)c2c1C ZINC000121252306 655348913 /nfs/dbraw/zinc/34/89/13/655348913.db2.gz RIXZYEDHJZKOLG-UHFFFAOYSA-N -1 3 378.841 2.614 20 30 GFEDHM N#C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Br)cc1 ZINC000436756852 655409289 /nfs/dbraw/zinc/40/92/89/655409289.db2.gz FVEDYSMQXOJGTI-LBPRGKRZSA-N -1 3 375.178 2.878 20 30 GFEDHM COc1cc(C=NN=C(C)c2cnccn2)cc(I)c1[O-] ZINC000745201538 655748968 /nfs/dbraw/zinc/74/89/68/655748968.db2.gz WYVKGDWEABHRQS-UHFFFAOYSA-N -1 3 396.188 2.639 20 30 GFEDHM CSCCCCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000756145008 655895555 /nfs/dbraw/zinc/89/55/55/655895555.db2.gz WIYLFEBFLWALBG-ZDUSSCGKSA-N -1 3 384.523 2.580 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccc(Cl)cc1F ZINC000796086420 658887971 /nfs/dbraw/zinc/88/79/71/658887971.db2.gz KAZUJKFBOHDPKJ-ZDUSSCGKSA-N -1 3 385.800 2.902 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCO1 ZINC000797454598 659024648 /nfs/dbraw/zinc/02/46/48/659024648.db2.gz PTQHAUQEHXYZHN-NWDGAFQWSA-N -1 3 378.675 2.562 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1sc(Br)cc1C)C1CCOCC1 ZINC000851828183 661835819 /nfs/dbraw/zinc/83/58/19/661835819.db2.gz NROUTKLVOAWOMW-NSHDSACASA-N -1 3 378.313 2.526 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@@H]2CC2(Cl)Cl)ccc1F ZINC000857686540 662087128 /nfs/dbraw/zinc/08/71/28/662087128.db2.gz AHDSFEWSOZGXQB-LLVKDONJSA-N -1 3 395.283 2.604 20 30 GFEDHM C#CCC1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCOCC1 ZINC000885840757 663098974 /nfs/dbraw/zinc/09/89/74/663098974.db2.gz OLEFCVXXUXQOKQ-UHFFFAOYSA-N -1 3 381.347 2.575 20 30 GFEDHM O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N([O-])Cc1ccccc1Cl ZINC000904187414 663827424 /nfs/dbraw/zinc/82/74/24/663827424.db2.gz LSWMSWOTEKAEOD-UHFFFAOYSA-N -1 3 384.841 2.749 20 30 GFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907098223 664001558 /nfs/dbraw/zinc/00/15/58/664001558.db2.gz XDHCJGQDVPHBEZ-SECBINFHSA-N -1 3 393.278 2.710 20 30 GFEDHM CCC(=NNC(=S)NC[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000916583734 664465563 /nfs/dbraw/zinc/46/55/63/664465563.db2.gz MSVIPCDYAVTXQM-NSHDSACASA-N -1 3 386.315 2.912 20 30 GFEDHM COc1ccc(Br)cc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920388123 664525876 /nfs/dbraw/zinc/52/58/76/664525876.db2.gz ZBAOILHNIQQHBU-UHFFFAOYSA-N -1 3 383.267 2.911 20 30 GFEDHM C=CCNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000024043835 206254068 /nfs/dbraw/zinc/25/40/68/206254068.db2.gz DHSVJQQPWBXGBV-LBPRGKRZSA-N -1 3 397.349 2.696 20 30 GFEDHM N#Cc1c(Cl)nsc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000047405402 551153052 /nfs/dbraw/zinc/15/30/52/551153052.db2.gz BOVFEJFSJRVSOY-UHFFFAOYSA-N -1 3 388.927 2.677 20 30 GFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000050392911 551160511 /nfs/dbraw/zinc/16/05/11/551160511.db2.gz IPKDWYFZMBIBMI-ZETCQYMHSA-N -1 3 382.077 2.792 20 30 GFEDHM COc1cccc(COCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000154682156 551480903 /nfs/dbraw/zinc/48/09/03/551480903.db2.gz JYIKTQNRHIHYAZ-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000157351173 551536972 /nfs/dbraw/zinc/53/69/72/551536972.db2.gz UGTQQASHSGLHNY-GXTWGEPZSA-N -1 3 377.809 2.954 20 30 GFEDHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157643997 551540505 /nfs/dbraw/zinc/54/05/05/551540505.db2.gz UMRNGTAIOZHSBR-SWLSCSKDSA-N -1 3 383.901 2.573 20 30 GFEDHM C=CCN1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000172001780 551668721 /nfs/dbraw/zinc/66/87/21/551668721.db2.gz VMCIIGSCFNNCJK-UHFFFAOYSA-N -1 3 390.281 2.671 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Br)ccc1O ZINC000176432933 552140423 /nfs/dbraw/zinc/14/04/23/552140423.db2.gz ROFLVWKJTYKFJA-UHFFFAOYSA-N -1 3 390.237 2.903 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCC2)c(Cl)c1 ZINC000183401750 552308397 /nfs/dbraw/zinc/30/83/97/552308397.db2.gz YTCFBMLZVCSIJK-HNNXBMFYSA-N -1 3 379.869 2.920 20 30 GFEDHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000184949496 552348862 /nfs/dbraw/zinc/34/88/62/552348862.db2.gz BZMCVCCSFRALRT-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184958484 552349070 /nfs/dbraw/zinc/34/90/70/552349070.db2.gz CDUILIZRMYFFJI-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000186371254 552386609 /nfs/dbraw/zinc/38/66/09/552386609.db2.gz XKFDUYUOZGTUBX-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000186668856 552394146 /nfs/dbraw/zinc/39/41/46/552394146.db2.gz MXYBIEXTMNWOEC-VIFPVBQESA-N -1 3 388.205 2.683 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000295783851 563262281 /nfs/dbraw/zinc/26/22/81/563262281.db2.gz QXDUPUVBZFMAFH-IUCAKERBSA-N -1 3 378.679 2.858 20 30 GFEDHM C=CCCCS(=O)(=O)[N-]c1nn(CC(F)(F)F)cc1Br ZINC000421256613 563304013 /nfs/dbraw/zinc/30/40/13/563304013.db2.gz IZXCUSISJWEXDV-UHFFFAOYSA-N -1 3 376.198 2.916 20 30 GFEDHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373020980 563325838 /nfs/dbraw/zinc/32/58/38/563325838.db2.gz DKPGLWSPTHZWCS-CYBMUJFWSA-N -1 3 376.507 2.519 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000280897046 563359619 /nfs/dbraw/zinc/35/96/19/563359619.db2.gz GODYYIRXRCUCKC-LBPRGKRZSA-N -1 3 382.791 2.615 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(Br)cc2)CC1 ZINC000428233688 563486027 /nfs/dbraw/zinc/48/60/27/563486027.db2.gz ZQSMHSBALKALMO-UHFFFAOYSA-N -1 3 378.251 2.683 20 30 GFEDHM Cc1cc(Br)cc(C)c1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428227850 563486071 /nfs/dbraw/zinc/48/60/71/563486071.db2.gz KOEZFLPJAXOEPS-UHFFFAOYSA-N -1 3 380.267 2.811 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000333172179 563622753 /nfs/dbraw/zinc/62/27/53/563622753.db2.gz NYEGYMDUDMXCLZ-LBPRGKRZSA-N -1 3 399.310 2.948 20 30 GFEDHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435430768 563650393 /nfs/dbraw/zinc/65/03/93/563650393.db2.gz FNJVSFVRIVTFGW-UHFFFAOYSA-N -1 3 387.280 2.869 20 30 GFEDHM Cc1nn(-c2ccc(F)cc2)cc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432351 563650445 /nfs/dbraw/zinc/65/04/45/563650445.db2.gz INDJQFDTAHOWLY-UHFFFAOYSA-N -1 3 376.438 2.732 20 30 GFEDHM C=CCCC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441097906 563755612 /nfs/dbraw/zinc/75/56/12/563755612.db2.gz YZQTVECORUXQIU-LBPRGKRZSA-N -1 3 391.896 2.801 20 30 GFEDHM COc1cccc(OCCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000443116914 563792861 /nfs/dbraw/zinc/79/28/61/563792861.db2.gz LKSAFYCIWOPXKX-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccnc1 ZINC000293121259 563802006 /nfs/dbraw/zinc/80/20/06/563802006.db2.gz PEOCHVININAAJN-INIZCTEOSA-N -1 3 379.869 2.645 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)NCC2(C#N)CCC2)cc(C(F)(F)F)c1 ZINC000416347026 563816962 /nfs/dbraw/zinc/81/69/62/563816962.db2.gz NRPPGGJJILBSLN-UHFFFAOYSA-N -1 3 375.372 2.501 20 30 GFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ncc[nH]1 ZINC000416481660 563835657 /nfs/dbraw/zinc/83/56/57/563835657.db2.gz CYQDHKVFTGBQKM-CYBMUJFWSA-N -1 3 383.271 2.719 20 30 GFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416486723 563837345 /nfs/dbraw/zinc/83/73/45/563837345.db2.gz HBZAEGNGKOHDDG-UHFFFAOYSA-N -1 3 384.255 2.658 20 30 GFEDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000416529148 563843482 /nfs/dbraw/zinc/84/34/82/563843482.db2.gz ZKKCNSVFRFGQHR-UHFFFAOYSA-N -1 3 375.288 2.804 20 30 GFEDHM C=CC[C@@H]1N(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCCC1(C)C ZINC000445217583 563845766 /nfs/dbraw/zinc/84/57/66/563845766.db2.gz DGXJRWCOIKTKHE-AWEZNQCLSA-N -1 3 385.555 2.803 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(OC)c1 ZINC000475571491 564312793 /nfs/dbraw/zinc/31/27/93/564312793.db2.gz VJIBZTJASUOAHW-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM N#CCC1(CS(=O)(=O)[N-][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000451508793 564320863 /nfs/dbraw/zinc/32/08/63/564320863.db2.gz YHWJIHYMLNGIHP-GFCCVEGCSA-N -1 3 389.246 2.635 20 30 GFEDHM N#CC1(CCC[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)CCOCC1 ZINC000543789165 564363771 /nfs/dbraw/zinc/36/37/71/564363771.db2.gz ZFMKIIYTPNGWMV-RUZDIDTESA-N -1 3 377.388 2.550 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000511956127 564386946 /nfs/dbraw/zinc/38/69/46/564386946.db2.gz YMMOIADKMQQKIK-UHFFFAOYSA-N -1 3 398.937 2.937 20 30 GFEDHM C=CC(C)(C)CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000452778088 564431027 /nfs/dbraw/zinc/43/10/27/564431027.db2.gz PNGDHEUWZTZYLQ-AWEZNQCLSA-N -1 3 388.530 2.554 20 30 GFEDHM C[C@](CO)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000480846920 564490503 /nfs/dbraw/zinc/49/05/03/564490503.db2.gz PBJKDZRNBGKMRI-GOSISDBHSA-N -1 3 378.881 2.731 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000520969879 564616764 /nfs/dbraw/zinc/61/67/64/564616764.db2.gz DUZGYKCLDFIFDK-HOTGVXAUSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000553786222 564736197 /nfs/dbraw/zinc/73/61/97/564736197.db2.gz LRVQIRPJSGKMKK-UHFFFAOYSA-N -1 3 376.235 2.671 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000583244815 564882230 /nfs/dbraw/zinc/88/22/30/564882230.db2.gz WGKSZUGBKDKKIL-CZUORRHYSA-N -1 3 377.853 2.805 20 30 GFEDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000558069331 564890933 /nfs/dbraw/zinc/89/09/33/564890933.db2.gz LUHIPGNQQXSKKB-UHFFFAOYSA-N -1 3 377.853 2.578 20 30 GFEDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1OC ZINC000585729964 565106353 /nfs/dbraw/zinc/10/63/53/565106353.db2.gz XDPYOSFBLHVLGP-MRXNPFEDSA-N -1 3 388.873 2.742 20 30 GFEDHM C=C[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000685838218 565126157 /nfs/dbraw/zinc/12/61/57/565126157.db2.gz HQOQJHKGDMJNJT-LBPRGKRZSA-N -1 3 376.400 2.551 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000588144428 565128848 /nfs/dbraw/zinc/12/88/48/565128848.db2.gz JEBIAXWALKWSTJ-ZDUSSCGKSA-N -1 3 385.272 2.919 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NCc1cccs1 ZINC000592080055 565254503 /nfs/dbraw/zinc/25/45/03/565254503.db2.gz JCIZSOICLVNFBB-AWEZNQCLSA-N -1 3 397.909 2.646 20 30 GFEDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618993851 565323999 /nfs/dbraw/zinc/32/39/99/565323999.db2.gz QCQJFEAQGAGGKU-SECBINFHSA-N -1 3 384.255 2.965 20 30 GFEDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000593569812 565343104 /nfs/dbraw/zinc/34/31/04/565343104.db2.gz QLNGREDHZWPAMV-BLLLJJGKSA-N -1 3 395.893 2.523 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000593591694 565346026 /nfs/dbraw/zinc/34/60/26/565346026.db2.gz LHFHADYMVJBPBG-MRXNPFEDSA-N -1 3 382.894 2.953 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000594722130 565411411 /nfs/dbraw/zinc/41/14/11/565411411.db2.gz ZMNJJJCYZSLSDC-VIFPVBQESA-N -1 3 379.251 2.813 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2N2CCCC2)c(Cl)c1 ZINC000594803221 565422537 /nfs/dbraw/zinc/42/25/37/565422537.db2.gz MSIBBALRRDFXND-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000594859220 565431208 /nfs/dbraw/zinc/43/12/08/565431208.db2.gz CPGBAYGXNRARAZ-CJNGLKHVSA-N -1 3 378.885 2.635 20 30 GFEDHM CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)[C@@H](C)C#N ZINC000598357641 565611036 /nfs/dbraw/zinc/61/10/36/565611036.db2.gz CNNYYGAHWSLYHC-VIFPVBQESA-N -1 3 395.200 2.507 20 30 GFEDHM CCN(C(=O)c1cnc2ccc(I)cc2c1[O-])[C@@H](C)C#N ZINC000598357641 565611037 /nfs/dbraw/zinc/61/10/37/565611037.db2.gz CNNYYGAHWSLYHC-VIFPVBQESA-N -1 3 395.200 2.507 20 30 GFEDHM CCC[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OCC ZINC000599367384 565672844 /nfs/dbraw/zinc/67/28/44/565672844.db2.gz HMGNOTAVJSSLLY-LLVKDONJSA-N -1 3 375.288 2.804 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccncc1Br ZINC000602197023 565829725 /nfs/dbraw/zinc/82/97/25/565829725.db2.gz RNLLUFWWMDBFPC-UHFFFAOYSA-N -1 3 389.253 2.682 20 30 GFEDHM O=S(=O)([N-]CC(F)(F)F)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000675290381 565898362 /nfs/dbraw/zinc/89/83/62/565898362.db2.gz KVRAJFYUDZGSJH-UHFFFAOYSA-N -1 3 383.285 2.944 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c(F)c1 ZINC000610082121 566065839 /nfs/dbraw/zinc/06/58/39/566065839.db2.gz ZFITXLWZTDEOMX-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000656950821 566192080 /nfs/dbraw/zinc/19/20/80/566192080.db2.gz FGILYFLZBXIBQA-GFCCVEGCSA-N -1 3 392.315 2.701 20 30 GFEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cccc(CC#N)c2)c1C ZINC000737504152 598840973 /nfs/dbraw/zinc/84/09/73/598840973.db2.gz QFUAAAIBZYWTPN-UHFFFAOYSA-N -1 3 398.430 2.988 20 30 GFEDHM COc1ccc(OC)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737109465 598890912 /nfs/dbraw/zinc/89/09/12/598890912.db2.gz RJBOHXXLGMRRRK-VURMDHGXSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1ccc(OC)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737109465 598890914 /nfs/dbraw/zinc/89/09/14/598890914.db2.gz RJBOHXXLGMRRRK-VURMDHGXSA-N -1 3 379.420 2.836 20 30 GFEDHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)N(C)CCC#N ZINC000736194010 598901377 /nfs/dbraw/zinc/90/13/77/598901377.db2.gz WBTMNYNRJICKBL-ZDUSSCGKSA-N -1 3 393.476 2.781 20 30 GFEDHM C[C@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)N(C)CCC#N ZINC000736194010 598901378 /nfs/dbraw/zinc/90/13/78/598901378.db2.gz WBTMNYNRJICKBL-ZDUSSCGKSA-N -1 3 393.476 2.781 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000735419566 598912345 /nfs/dbraw/zinc/91/23/45/598912345.db2.gz VXYXXWNSHPDMAU-GOSISDBHSA-N -1 3 379.395 2.524 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000735419566 598912346 /nfs/dbraw/zinc/91/23/46/598912346.db2.gz VXYXXWNSHPDMAU-GOSISDBHSA-N -1 3 379.395 2.524 20 30 GFEDHM Cc1nc2cc(F)cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2nc1C ZINC000737488285 598918237 /nfs/dbraw/zinc/91/82/37/598918237.db2.gz NRIVYJDPYWALIB-UHFFFAOYSA-N -1 3 388.366 2.690 20 30 GFEDHM Cc1nc2cc(F)cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2nc1C ZINC000737488285 598918240 /nfs/dbraw/zinc/91/82/40/598918240.db2.gz NRIVYJDPYWALIB-UHFFFAOYSA-N -1 3 388.366 2.690 20 30 GFEDHM COc1ccc(Br)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737065340 598918373 /nfs/dbraw/zinc/91/83/73/598918373.db2.gz JTQOUHROVAZPCS-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(Br)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737065340 598918375 /nfs/dbraw/zinc/91/83/75/598918375.db2.gz JTQOUHROVAZPCS-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735460037 598919579 /nfs/dbraw/zinc/91/95/79/598919579.db2.gz CCFNZDPTXHDTOS-IBGZPJMESA-N -1 3 399.414 2.641 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735460037 598919581 /nfs/dbraw/zinc/91/95/81/598919581.db2.gz CCFNZDPTXHDTOS-IBGZPJMESA-N -1 3 399.414 2.641 20 30 GFEDHM C=C(COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)OCC ZINC000735401989 598921406 /nfs/dbraw/zinc/92/14/06/598921406.db2.gz CSZJXTVBWUCRIQ-UHFFFAOYSA-N -1 3 394.387 2.935 20 30 GFEDHM C=C(COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)OCC ZINC000735401989 598921408 /nfs/dbraw/zinc/92/14/08/598921408.db2.gz CSZJXTVBWUCRIQ-UHFFFAOYSA-N -1 3 394.387 2.935 20 30 GFEDHM N#Cc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1-c1nnn[n-]1 ZINC000737709993 598925677 /nfs/dbraw/zinc/92/56/77/598925677.db2.gz SZTYSDJSEWAMPH-UHFFFAOYSA-N -1 3 377.795 2.985 20 30 GFEDHM N#Cc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1-c1nn[n-]n1 ZINC000737709993 598925679 /nfs/dbraw/zinc/92/56/79/598925679.db2.gz SZTYSDJSEWAMPH-UHFFFAOYSA-N -1 3 377.795 2.985 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736236942 598928307 /nfs/dbraw/zinc/92/83/07/598928307.db2.gz UJDJZGPPFSQSCC-BDJLRTHQSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736236942 598928309 /nfs/dbraw/zinc/92/83/09/598928309.db2.gz UJDJZGPPFSQSCC-BDJLRTHQSA-N -1 3 387.403 2.585 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccnc2SC(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737708403 598928933 /nfs/dbraw/zinc/92/89/33/598928933.db2.gz FLHOSUFYBWOHPP-UHFFFAOYSA-N -1 3 391.338 2.998 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccnc2SC(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737708403 598928935 /nfs/dbraw/zinc/92/89/35/598928935.db2.gz FLHOSUFYBWOHPP-UHFFFAOYSA-N -1 3 391.338 2.998 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736417763 598933098 /nfs/dbraw/zinc/93/30/98/598933098.db2.gz VRTVNAUKLQSYCE-INIZCTEOSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736417763 598933100 /nfs/dbraw/zinc/93/31/00/598933100.db2.gz VRTVNAUKLQSYCE-INIZCTEOSA-N -1 3 376.420 2.868 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(OC)c1 ZINC000735443097 598947533 /nfs/dbraw/zinc/94/75/33/598947533.db2.gz PSSGISBIXLSTEW-UHFFFAOYSA-N -1 3 386.433 2.680 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(OC)c1 ZINC000735443097 598947535 /nfs/dbraw/zinc/94/75/35/598947535.db2.gz PSSGISBIXLSTEW-UHFFFAOYSA-N -1 3 386.433 2.680 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000737720163 599003027 /nfs/dbraw/zinc/00/30/27/599003027.db2.gz YZPSOOUYMPATLB-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000737720163 599003029 /nfs/dbraw/zinc/00/30/29/599003029.db2.gz YZPSOOUYMPATLB-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C#CCn1c(-c2cnn(C)c2)csc1=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735388173 599029928 /nfs/dbraw/zinc/02/99/28/599029928.db2.gz SCGXTJWXNAVEEO-UHFFFAOYSA-N -1 3 396.867 2.649 20 30 GFEDHM C#CCn1c(-c2cnn(C)c2)csc1=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735388173 599029930 /nfs/dbraw/zinc/02/99/30/599029930.db2.gz SCGXTJWXNAVEEO-UHFFFAOYSA-N -1 3 396.867 2.649 20 30 GFEDHM C=CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccncc1 ZINC000735409010 599084119 /nfs/dbraw/zinc/08/41/19/599084119.db2.gz APYNPKZVAJTWKL-HNNXBMFYSA-N -1 3 390.856 2.511 20 30 GFEDHM C=CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccncc1 ZINC000735409010 599084121 /nfs/dbraw/zinc/08/41/21/599084121.db2.gz APYNPKZVAJTWKL-HNNXBMFYSA-N -1 3 390.856 2.511 20 30 GFEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735410291 599084340 /nfs/dbraw/zinc/08/43/40/599084340.db2.gz YYHJNFBNWLEVHD-OAHLLOKOSA-N -1 3 390.856 2.511 20 30 GFEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC000735410291 599084343 /nfs/dbraw/zinc/08/43/43/599084343.db2.gz YYHJNFBNWLEVHD-OAHLLOKOSA-N -1 3 390.856 2.511 20 30 GFEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(-n2cncn2)c(F)c1 ZINC000823503138 599114207 /nfs/dbraw/zinc/11/42/07/599114207.db2.gz BYYNTLSNOAKYKT-AUWJEWJLSA-N -1 3 387.378 2.799 20 30 GFEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(-n2cncn2)c(F)c1 ZINC000823503138 599114210 /nfs/dbraw/zinc/11/42/10/599114210.db2.gz BYYNTLSNOAKYKT-AUWJEWJLSA-N -1 3 387.378 2.799 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000737080626 599151307 /nfs/dbraw/zinc/15/13/07/599151307.db2.gz FESQHRZGJMPZTN-KRXBUXKQSA-N -1 3 391.431 2.608 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000737080626 599151309 /nfs/dbraw/zinc/15/13/09/599151309.db2.gz FESQHRZGJMPZTN-KRXBUXKQSA-N -1 3 391.431 2.608 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000736626838 599159179 /nfs/dbraw/zinc/15/91/79/599159179.db2.gz LVTIETXCCAHASL-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000736626838 599159181 /nfs/dbraw/zinc/15/91/81/599159181.db2.gz LVTIETXCCAHASL-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM N#Cc1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737715805 599194873 /nfs/dbraw/zinc/19/48/73/599194873.db2.gz FBMJPBSWDITHMV-UHFFFAOYSA-N -1 3 386.774 2.938 20 30 GFEDHM N#Cc1ccc(NC(=O)CCOc2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737715805 599194875 /nfs/dbraw/zinc/19/48/75/599194875.db2.gz FBMJPBSWDITHMV-UHFFFAOYSA-N -1 3 386.774 2.938 20 30 GFEDHM N#Cc1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737716659 599199181 /nfs/dbraw/zinc/19/91/81/599199181.db2.gz TVODLZKAORQNDI-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM N#Cc1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737716659 599199183 /nfs/dbraw/zinc/19/91/83/599199183.db2.gz TVODLZKAORQNDI-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735734681 598299629 /nfs/dbraw/zinc/29/96/29/598299629.db2.gz JKMJOAABNUCLAN-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735734681 598299631 /nfs/dbraw/zinc/29/96/31/598299631.db2.gz JKMJOAABNUCLAN-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451270 598313567 /nfs/dbraw/zinc/31/35/67/598313567.db2.gz WHAFBOMNLZSEOL-UHFFFAOYSA-N -1 3 392.391 2.699 20 30 GFEDHM FC(F)(F)c1cc(NN=Cc2ccc(-n3cncn3)cc2)ccc1-c1nnn[n-]1 ZINC000737633778 598315696 /nfs/dbraw/zinc/31/56/96/598315696.db2.gz WDESWBMCNZGIHB-UHFFFAOYSA-N -1 3 399.340 2.912 20 30 GFEDHM FC(F)(F)c1cc(NN=Cc2ccc(-n3cncn3)cc2)ccc1-c1nn[n-]n1 ZINC000737633778 598315698 /nfs/dbraw/zinc/31/56/98/598315698.db2.gz WDESWBMCNZGIHB-UHFFFAOYSA-N -1 3 399.340 2.912 20 30 GFEDHM C#CCOc1cccc(OC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735387935 598421879 /nfs/dbraw/zinc/42/18/79/598421879.db2.gz LLNGLLMYSRMFDB-IBGZPJMESA-N -1 3 392.415 2.888 20 30 GFEDHM C#CCOc1cccc(OC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735387935 598421880 /nfs/dbraw/zinc/42/18/80/598421880.db2.gz LLNGLLMYSRMFDB-IBGZPJMESA-N -1 3 392.415 2.888 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSC[C@@H]1CCCCO1 ZINC000735418129 598443357 /nfs/dbraw/zinc/44/33/57/598443357.db2.gz BJADHIMSBAVAMW-KRWDZBQOSA-N -1 3 387.509 2.684 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CSC[C@@H]1CCCCO1 ZINC000735418129 598443359 /nfs/dbraw/zinc/44/33/59/598443359.db2.gz BJADHIMSBAVAMW-KRWDZBQOSA-N -1 3 387.509 2.684 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1csc(-c2ccoc2)n1 ZINC000737705437 598492726 /nfs/dbraw/zinc/49/27/26/598492726.db2.gz OYLCMNYTYWHNCN-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1csc(-c2ccoc2)n1 ZINC000737705437 598492727 /nfs/dbraw/zinc/49/27/27/598492727.db2.gz OYLCMNYTYWHNCN-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM N#CC1(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCCCC1 ZINC000737680118 598550003 /nfs/dbraw/zinc/55/00/03/598550003.db2.gz VCVKSCBXWZRANM-UHFFFAOYSA-N -1 3 392.419 2.995 20 30 GFEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCOCC1 ZINC000737673659 598582380 /nfs/dbraw/zinc/58/23/80/598582380.db2.gz BUUHAFSZYYZKRI-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM N#CC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCOCC1 ZINC000737673659 598582381 /nfs/dbraw/zinc/58/23/81/598582381.db2.gz BUUHAFSZYYZKRI-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000736819625 598650566 /nfs/dbraw/zinc/65/05/66/598650566.db2.gz GBKQFAMYWBOSNY-UHFFFAOYSA-N -1 3 390.447 2.946 20 30 GFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000736819625 598650567 /nfs/dbraw/zinc/65/05/67/598650567.db2.gz GBKQFAMYWBOSNY-UHFFFAOYSA-N -1 3 390.447 2.946 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)cn1 ZINC000735389388 598735599 /nfs/dbraw/zinc/73/55/99/598735599.db2.gz BBVAFBNHZFKWIH-UHFFFAOYSA-N -1 3 383.371 2.683 20 30 GFEDHM COc1cccc(NC(=S)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000821873195 599331740 /nfs/dbraw/zinc/33/17/40/599331740.db2.gz SNYALPXKNWMAJI-UHFFFAOYSA-N -1 3 393.476 2.902 20 30 GFEDHM COc1cccc(NC(=S)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000821873195 599331742 /nfs/dbraw/zinc/33/17/42/599331742.db2.gz SNYALPXKNWMAJI-UHFFFAOYSA-N -1 3 393.476 2.902 20 30 GFEDHM O=C(C=NOCc1ccc(F)cc1-c1nnn[n-]1)Nc1ccc(F)cc1Cl ZINC000822934976 599390098 /nfs/dbraw/zinc/39/00/98/599390098.db2.gz FJZJDUJTZKLMGM-UHFFFAOYSA-N -1 3 392.753 2.939 20 30 GFEDHM O=C(C=NOCc1ccc(F)cc1-c1nn[n-]n1)Nc1ccc(F)cc1Cl ZINC000822934976 599390101 /nfs/dbraw/zinc/39/01/01/599390101.db2.gz FJZJDUJTZKLMGM-UHFFFAOYSA-N -1 3 392.753 2.939 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cnn1-c1ccccc1 ZINC000737202116 599461121 /nfs/dbraw/zinc/46/11/21/599461121.db2.gz KDEGSBOGAXZGLX-HJWRWDBZSA-N -1 3 396.414 2.905 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cnn1-c1ccccc1 ZINC000737202116 599461123 /nfs/dbraw/zinc/46/11/23/599461123.db2.gz KDEGSBOGAXZGLX-HJWRWDBZSA-N -1 3 396.414 2.905 20 30 GFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734234 607390476 /nfs/dbraw/zinc/39/04/76/607390476.db2.gz KNUPGDSBFKORDC-QGZVFWFLSA-N -1 3 387.440 2.992 20 30 GFEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C(=O)[O-])cc1 ZINC000739105278 600596264 /nfs/dbraw/zinc/59/62/64/600596264.db2.gz FVZIGNRRXUEGJN-RBUKOAKNSA-N -1 3 379.416 2.591 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000822921940 607457304 /nfs/dbraw/zinc/45/73/04/607457304.db2.gz ASEMILJYEBSBPP-YVMONPNESA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000822921940 607457305 /nfs/dbraw/zinc/45/73/05/607457305.db2.gz ASEMILJYEBSBPP-YVMONPNESA-N -1 3 379.395 2.739 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccn1 ZINC000822015295 607460113 /nfs/dbraw/zinc/46/01/13/607460113.db2.gz GXYWQSNNHUQBRT-FPLPWBNLSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccn1 ZINC000822015295 607460114 /nfs/dbraw/zinc/46/01/14/607460114.db2.gz GXYWQSNNHUQBRT-FPLPWBNLSA-N -1 3 375.367 2.791 20 30 GFEDHM COc1cc(C#N)ccc1OCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000737845749 600713719 /nfs/dbraw/zinc/71/37/19/600713719.db2.gz OGANIQDHEVYTAO-UHFFFAOYSA-N -1 3 376.359 2.811 20 30 GFEDHM Cc1cc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c(C)o1 ZINC000832863407 601313974 /nfs/dbraw/zinc/31/39/74/601313974.db2.gz OMZOCJPFJYSEQY-LJQANCHMSA-N -1 3 381.432 2.788 20 30 GFEDHM CC(C)OC(=O)c1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000824309146 607541558 /nfs/dbraw/zinc/54/15/58/607541558.db2.gz GRLGFDZNOBDRLY-UHFFFAOYSA-N -1 3 395.448 2.573 20 30 GFEDHM CC(C)OC(=O)c1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000824309146 607541560 /nfs/dbraw/zinc/54/15/60/607541560.db2.gz GRLGFDZNOBDRLY-UHFFFAOYSA-N -1 3 395.448 2.573 20 30 GFEDHM N#CCC[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381548 607709695 /nfs/dbraw/zinc/70/96/95/607709695.db2.gz PVSJWMYBQMTSOH-SFHVURJKSA-N -1 3 391.435 2.590 20 30 GFEDHM CCN(CCC#N)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000821207434 606081154 /nfs/dbraw/zinc/08/11/54/606081154.db2.gz MSSQOHPCZVTBHP-UHFFFAOYSA-N -1 3 387.513 2.761 20 30 GFEDHM CCN(CCC#N)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000821207434 606081158 /nfs/dbraw/zinc/08/11/58/606081158.db2.gz MSSQOHPCZVTBHP-UHFFFAOYSA-N -1 3 387.513 2.761 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOCc1ccccc1 ZINC000819746101 606162692 /nfs/dbraw/zinc/16/26/92/606162692.db2.gz ZTZYWDKRUSFMBR-UHFFFAOYSA-N -1 3 392.463 2.781 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOCc1ccccc1 ZINC000819746101 606162694 /nfs/dbraw/zinc/16/26/94/606162694.db2.gz ZTZYWDKRUSFMBR-UHFFFAOYSA-N -1 3 392.463 2.781 20 30 GFEDHM CN(C)[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1c(F)cccc1Cl ZINC000821579806 606175441 /nfs/dbraw/zinc/17/54/41/606175441.db2.gz OJZFWTSFEJLXNP-INIZCTEOSA-N -1 3 399.817 2.772 20 30 GFEDHM CN(C)[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1c(F)cccc1Cl ZINC000821579806 606175443 /nfs/dbraw/zinc/17/54/43/606175443.db2.gz OJZFWTSFEJLXNP-INIZCTEOSA-N -1 3 399.817 2.772 20 30 GFEDHM Cc1nc2sccn2c1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822467472 606177426 /nfs/dbraw/zinc/17/74/26/606177426.db2.gz NNTIWJCXVVDCDD-UHFFFAOYSA-N -1 3 378.421 2.688 20 30 GFEDHM Cc1nc2sccn2c1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822467472 606177427 /nfs/dbraw/zinc/17/74/27/606177427.db2.gz NNTIWJCXVVDCDD-UHFFFAOYSA-N -1 3 378.421 2.688 20 30 GFEDHM N#Cc1ccsc1N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000822842306 606243701 /nfs/dbraw/zinc/24/37/01/606243701.db2.gz BCLNVPAAVQTGAB-ZDUSSCGKSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1ccsc1N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000822842306 606243703 /nfs/dbraw/zinc/24/37/03/606243703.db2.gz BCLNVPAAVQTGAB-ZDUSSCGKSA-N -1 3 385.840 2.671 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000822650589 606245665 /nfs/dbraw/zinc/24/56/65/606245665.db2.gz VSNVFQKSUFJFGR-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000822650589 606245666 /nfs/dbraw/zinc/24/56/66/606245666.db2.gz VSNVFQKSUFJFGR-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(C#N)c(C)c1C ZINC000822454038 606266961 /nfs/dbraw/zinc/26/69/61/606266961.db2.gz RMSMBIQCAQKYLB-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(C#N)c(C)c1C ZINC000822454038 606266962 /nfs/dbraw/zinc/26/69/62/606266962.db2.gz RMSMBIQCAQKYLB-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822800939 606299699 /nfs/dbraw/zinc/29/96/99/606299699.db2.gz BDVGKRHYGITUII-PKOBYXMFSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822800939 606299701 /nfs/dbraw/zinc/29/97/01/606299701.db2.gz BDVGKRHYGITUII-PKOBYXMFSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822801303 606299961 /nfs/dbraw/zinc/29/99/61/606299961.db2.gz GVZPZNWLCBVELS-HNAYVOBHSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822801303 606299963 /nfs/dbraw/zinc/29/99/63/606299963.db2.gz GVZPZNWLCBVELS-HNAYVOBHSA-N -1 3 388.431 2.868 20 30 GFEDHM C[C@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000820301165 606310252 /nfs/dbraw/zinc/31/02/52/606310252.db2.gz VWTYPOMGIYFVLO-LLVKDONJSA-N -1 3 388.460 2.987 20 30 GFEDHM C[C@H](Cc1ccc2ccccc2n1)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000820301165 606310253 /nfs/dbraw/zinc/31/02/53/606310253.db2.gz VWTYPOMGIYFVLO-LLVKDONJSA-N -1 3 388.460 2.987 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccc(F)cc1 ZINC000822015500 606390806 /nfs/dbraw/zinc/39/08/06/606390806.db2.gz LCHIREMMXFNXRV-SOFGYWHQSA-N -1 3 381.396 2.853 20 30 GFEDHM C#CCN(CC#C)Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000819697671 606503274 /nfs/dbraw/zinc/50/32/74/606503274.db2.gz JGFBYRREMQNMMC-UHFFFAOYSA-N -1 3 387.443 2.523 20 30 GFEDHM C#CCN(CC#C)Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000819697671 606503275 /nfs/dbraw/zinc/50/32/75/606503275.db2.gz JGFBYRREMQNMMC-UHFFFAOYSA-N -1 3 387.443 2.523 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c(CC)noc1CC ZINC000819744064 606673977 /nfs/dbraw/zinc/67/39/77/606673977.db2.gz UYPIRUSOVDIUHF-UHFFFAOYSA-N -1 3 380.452 2.737 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c(CC)noc1CC ZINC000819744064 606673978 /nfs/dbraw/zinc/67/39/78/606673978.db2.gz UYPIRUSOVDIUHF-UHFFFAOYSA-N -1 3 380.452 2.737 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(CCC#N)Cc2ccco2)c1-c1nnn[n-]1 ZINC000822486781 606698699 /nfs/dbraw/zinc/69/86/99/606698699.db2.gz SFYXNQPAXVAGOI-UHFFFAOYSA-N -1 3 388.435 2.870 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1c(CC)noc1CC ZINC000819746056 606719390 /nfs/dbraw/zinc/71/93/90/606719390.db2.gz YYOIGDODOGBAMD-UHFFFAOYSA-N -1 3 395.467 2.877 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1c(CC)noc1CC ZINC000819746056 606719391 /nfs/dbraw/zinc/71/93/91/606719391.db2.gz YYOIGDODOGBAMD-UHFFFAOYSA-N -1 3 395.467 2.877 20 30 GFEDHM C=CCNC(=O)c1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819751716 606863132 /nfs/dbraw/zinc/86/31/32/606863132.db2.gz ZQYBHHKVIRNLGH-UHFFFAOYSA-N -1 3 378.436 2.664 20 30 GFEDHM C=CCNC(=O)c1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819751716 606863134 /nfs/dbraw/zinc/86/31/34/606863134.db2.gz ZQYBHHKVIRNLGH-UHFFFAOYSA-N -1 3 378.436 2.664 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCOc1cccc(C#N)c1 ZINC000820535085 606942869 /nfs/dbraw/zinc/94/28/69/606942869.db2.gz NMJSWYHREYLQNF-AWEZNQCLSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCOc1cccc(C#N)c1 ZINC000820535089 606942931 /nfs/dbraw/zinc/94/29/31/606942931.db2.gz NMJSWYHREYLQNF-CQSZACIVSA-N -1 3 393.403 2.518 20 30 GFEDHM C=CCC(CC=C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819734879 607004196 /nfs/dbraw/zinc/00/41/96/607004196.db2.gz WFKBOSONUSJTQE-UHFFFAOYSA-N -1 3 375.816 2.770 20 30 GFEDHM C=CCC(CC=C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819734879 607004197 /nfs/dbraw/zinc/00/41/97/607004197.db2.gz WFKBOSONUSJTQE-UHFFFAOYSA-N -1 3 375.816 2.770 20 30 GFEDHM N#Cc1ccc(F)cc1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822829817 607064418 /nfs/dbraw/zinc/06/44/18/607064418.db2.gz KOUABPRQCQTGDT-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1ccc(F)cc1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822829817 607064420 /nfs/dbraw/zinc/06/44/20/607064420.db2.gz KOUABPRQCQTGDT-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccccc1-c1nnn[n-]1 ZINC000825818201 607788265 /nfs/dbraw/zinc/78/82/65/607788265.db2.gz WWPBYYZRKARSSR-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccccc1-c1nn[n-]n1 ZINC000825818201 607788266 /nfs/dbraw/zinc/78/82/66/607788266.db2.gz WWPBYYZRKARSSR-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM C[C@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CC1 ZINC000824034091 607831308 /nfs/dbraw/zinc/83/13/08/607831308.db2.gz GYOLAXIOTASPDB-GFCCVEGCSA-N -1 3 399.524 2.760 20 30 GFEDHM C[C@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CC1 ZINC000824034091 607831309 /nfs/dbraw/zinc/83/13/09/607831309.db2.gz GYOLAXIOTASPDB-GFCCVEGCSA-N -1 3 399.524 2.760 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826207259 607984369 /nfs/dbraw/zinc/98/43/69/607984369.db2.gz HGOCQMGIZLQNIC-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826207259 607984370 /nfs/dbraw/zinc/98/43/70/607984370.db2.gz HGOCQMGIZLQNIC-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000826384947 608482189 /nfs/dbraw/zinc/48/21/89/608482189.db2.gz QVOMIANKKIDRLA-UHFFFAOYSA-N -1 3 392.369 2.946 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826384947 608482190 /nfs/dbraw/zinc/48/21/90/608482190.db2.gz QVOMIANKKIDRLA-UHFFFAOYSA-N -1 3 392.369 2.946 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000823958324 608538681 /nfs/dbraw/zinc/53/86/81/608538681.db2.gz JFPBWNXUNQRQLB-UHFFFAOYSA-N -1 3 396.842 2.981 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000823958324 608538684 /nfs/dbraw/zinc/53/86/84/608538684.db2.gz JFPBWNXUNQRQLB-UHFFFAOYSA-N -1 3 396.842 2.981 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823888676 608561554 /nfs/dbraw/zinc/56/15/54/608561554.db2.gz TUSYWXGKIQPSPL-AWEZNQCLSA-N -1 3 395.488 2.932 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823888676 608561556 /nfs/dbraw/zinc/56/15/56/608561556.db2.gz TUSYWXGKIQPSPL-AWEZNQCLSA-N -1 3 395.488 2.932 20 30 GFEDHM C=CCN(C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000823903847 608621926 /nfs/dbraw/zinc/62/19/26/608621926.db2.gz MDIWCKJDAVRRNR-UHFFFAOYSA-N -1 3 385.472 2.558 20 30 GFEDHM C=CCN(C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000823903847 608621927 /nfs/dbraw/zinc/62/19/27/608621927.db2.gz MDIWCKJDAVRRNR-UHFFFAOYSA-N -1 3 385.472 2.558 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3nc4c(cc3-c3nnn[n-]3)CCC4)n2)c1 ZINC000826386334 609167190 /nfs/dbraw/zinc/16/71/90/609167190.db2.gz ADLFBYHLGVKUSD-UHFFFAOYSA-N -1 3 383.419 2.624 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3nc4c(cc3-c3nn[n-]n3)CCC4)n2)c1 ZINC000826386334 609167191 /nfs/dbraw/zinc/16/71/91/609167191.db2.gz ADLFBYHLGVKUSD-UHFFFAOYSA-N -1 3 383.419 2.624 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826172338 609245808 /nfs/dbraw/zinc/24/58/08/609245808.db2.gz AFDDKRLJWOVYER-UHFFFAOYSA-N -1 3 375.388 2.787 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826172338 609245810 /nfs/dbraw/zinc/24/58/10/609245810.db2.gz AFDDKRLJWOVYER-UHFFFAOYSA-N -1 3 375.388 2.787 20 30 GFEDHM N#Cc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)c(Br)c1 ZINC000826385064 609348500 /nfs/dbraw/zinc/34/85/00/609348500.db2.gz VPWBZNISJVPNOJ-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM N#Cc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)c(Br)c1 ZINC000826385064 609348502 /nfs/dbraw/zinc/34/85/02/609348502.db2.gz VPWBZNISJVPNOJ-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c(C)n1 ZINC000826178068 609369018 /nfs/dbraw/zinc/36/90/18/609369018.db2.gz ITDTZXMIKSROFU-BQYQJAHWSA-N -1 3 378.436 2.839 20 30 GFEDHM COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c(C)n1 ZINC000826178068 609369021 /nfs/dbraw/zinc/36/90/21/609369021.db2.gz ITDTZXMIKSROFU-BQYQJAHWSA-N -1 3 378.436 2.839 20 30 GFEDHM N#CCn1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000826382807 609379295 /nfs/dbraw/zinc/37/92/95/609379295.db2.gz VWLXIRBGVLVLEP-UHFFFAOYSA-N -1 3 386.375 2.631 20 30 GFEDHM N#CCn1cc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000826382807 609379297 /nfs/dbraw/zinc/37/92/97/609379297.db2.gz VWLXIRBGVLVLEP-UHFFFAOYSA-N -1 3 386.375 2.631 20 30 GFEDHM O=C1[C@@H](ON=Cc2cccc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477768 609428363 /nfs/dbraw/zinc/42/83/63/609428363.db2.gz LBYFLRWWTKELIV-KRWDZBQOSA-N -1 3 380.383 2.552 20 30 GFEDHM O=C1[C@@H](ON=Cc2cccc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477768 609428365 /nfs/dbraw/zinc/42/83/65/609428365.db2.gz LBYFLRWWTKELIV-KRWDZBQOSA-N -1 3 380.383 2.552 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000824058901 609432530 /nfs/dbraw/zinc/43/25/30/609432530.db2.gz HZJIOFHARJKYOO-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000824058901 609432532 /nfs/dbraw/zinc/43/25/32/609432532.db2.gz HZJIOFHARJKYOO-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942964 609501881 /nfs/dbraw/zinc/50/18/81/609501881.db2.gz LWVDLPZSKGOWQJ-FLIBITNWSA-N -1 3 375.348 2.689 20 30 GFEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942964 609501882 /nfs/dbraw/zinc/50/18/82/609501882.db2.gz LWVDLPZSKGOWQJ-FLIBITNWSA-N -1 3 375.348 2.689 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824034890 609512284 /nfs/dbraw/zinc/51/22/84/609512284.db2.gz QGCOJKIAVNVIKP-LLVKDONJSA-N -1 3 397.826 2.862 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824034890 609512285 /nfs/dbraw/zinc/51/22/85/609512285.db2.gz QGCOJKIAVNVIKP-LLVKDONJSA-N -1 3 397.826 2.862 20 30 GFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824100265 609513331 /nfs/dbraw/zinc/51/33/31/609513331.db2.gz PAAHJYFQTCPHIL-KRWDZBQOSA-N -1 3 390.831 2.720 20 30 GFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824100265 609513333 /nfs/dbraw/zinc/51/33/33/609513333.db2.gz PAAHJYFQTCPHIL-KRWDZBQOSA-N -1 3 390.831 2.720 20 30 GFEDHM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257887 609537169 /nfs/dbraw/zinc/53/71/69/609537169.db2.gz RRQNKELFBRVJPK-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257887 609537171 /nfs/dbraw/zinc/53/71/71/609537171.db2.gz RRQNKELFBRVJPK-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCS3(=O)=O)cc2C)n1 ZINC000173898723 655184111 /nfs/dbraw/zinc/18/41/11/655184111.db2.gz UFFALQJPPKYVON-HNNXBMFYSA-N -1 3 375.475 2.790 20 30 GFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000321127534 655382561 /nfs/dbraw/zinc/38/25/61/655382561.db2.gz RDMQHBJQAKTMQW-SNVBAGLBSA-N -1 3 398.706 2.717 20 30 GFEDHM O=S(=O)([N-]CCCOCC(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC000579578675 655501660 /nfs/dbraw/zinc/50/16/60/655501660.db2.gz MQYWNIZXXLPZGA-UHFFFAOYSA-N -1 3 399.284 2.972 20 30 GFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363855 655574896 /nfs/dbraw/zinc/57/48/96/655574896.db2.gz FTSJASDRTUCOLU-QLJPJBMISA-N -1 3 383.242 2.754 20 30 GFEDHM O=C1Nc2c(cc(Cl)cc2Cl)C1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448566 655729211 /nfs/dbraw/zinc/72/92/11/655729211.db2.gz VQQUVYGMUVODFG-UHFFFAOYSA-N -1 3 398.271 2.812 20 30 GFEDHM N#Cc1cc(COC(=O)c2ccc(I)c([O-])c2)ccn1 ZINC000760813901 655992329 /nfs/dbraw/zinc/99/23/29/655992329.db2.gz VHPZRRDEUNQJGK-UHFFFAOYSA-N -1 3 380.141 2.620 20 30 GFEDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000800965660 659359369 /nfs/dbraw/zinc/35/93/69/659359369.db2.gz NZCZJGJQMZYKNQ-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM C#C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1F ZINC000812200725 660021171 /nfs/dbraw/zinc/02/11/71/660021171.db2.gz HCPXAZNDLYPWOU-SNVBAGLBSA-N -1 3 375.713 2.790 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000845830747 661499440 /nfs/dbraw/zinc/49/94/40/661499440.db2.gz HFAMEBVJOCXPOB-LBPRGKRZSA-N -1 3 375.475 2.786 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000848135353 661627142 /nfs/dbraw/zinc/62/71/42/661627142.db2.gz CBJZKSPPCUDBAJ-SNVBAGLBSA-N -1 3 381.148 2.578 20 30 GFEDHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848133694 661627159 /nfs/dbraw/zinc/62/71/59/661627159.db2.gz FGWCOLWREVCCCZ-ZDUSSCGKSA-N -1 3 375.252 2.895 20 30 GFEDHM C=CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000849426178 661722806 /nfs/dbraw/zinc/72/28/06/661722806.db2.gz QMNBTWHZVUMQAR-UHFFFAOYSA-N -1 3 382.663 2.744 20 30 GFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000859423867 662161638 /nfs/dbraw/zinc/16/16/38/662161638.db2.gz ACVRCJUANNICQF-NSHDSACASA-N -1 3 378.263 2.603 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(F)(F)C[C@@H]2C)ccc1F ZINC000863012971 662308667 /nfs/dbraw/zinc/30/86/67/662308667.db2.gz KCOJFQRBNFOMPW-NSHDSACASA-N -1 3 376.400 2.550 20 30 GFEDHM N#Cc1cc(F)c(NCc2nc3c(c(=O)[n-]2)COCC3)cc1Br ZINC000866289075 662466968 /nfs/dbraw/zinc/46/69/68/662466968.db2.gz VCBXOURYFGSTOJ-UHFFFAOYSA-N -1 3 379.189 2.640 20 30 GFEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000867322999 662542355 /nfs/dbraw/zinc/54/23/55/662542355.db2.gz YFFGRLGFTPVQBS-ZUOKHONESA-N -1 3 393.328 2.542 20 30 GFEDHM O=C(Nc1cc(C(F)(F)F)ccc1Br)N[C@H]1CCCN([O-])C1=O ZINC000879455691 662926491 /nfs/dbraw/zinc/92/64/91/662926491.db2.gz ZBFBAGNETRETFF-VIFPVBQESA-N -1 3 396.163 2.970 20 30 GFEDHM O=C(NCC#C[C@H]1CCCCO1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000891126465 663325489 /nfs/dbraw/zinc/32/54/89/663325489.db2.gz JHFXYUYRHWBRIT-CYBMUJFWSA-N -1 3 389.249 2.593 20 30 GFEDHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000893734317 663422683 /nfs/dbraw/zinc/42/26/83/663422683.db2.gz GANYSTZPHSSIAZ-UHFFFAOYSA-N -1 3 395.253 2.702 20 30 GFEDHM O=C(CNS(=O)(=O)c1cccs1)N([O-])Cc1cccc2ccccc21 ZINC000901371069 663734762 /nfs/dbraw/zinc/73/47/62/663734762.db2.gz QRDHNGJIAHRDLX-UHFFFAOYSA-N -1 3 376.459 2.598 20 30 GFEDHM C=CCOC[C@@H](NCc1cn(-c2cccc(Br)c2)nc1C)C(=O)[O-] ZINC000901812065 663746788 /nfs/dbraw/zinc/74/67/88/663746788.db2.gz ZLPUOEAMPUUPRK-MRXNPFEDSA-N -1 3 394.269 2.689 20 30 GFEDHM CC(C)(C)[C@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000122109615 551294626 /nfs/dbraw/zinc/29/46/26/551294626.db2.gz MMARXAYVERTBJD-LBPRGKRZSA-N -1 3 392.308 2.716 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000125490727 551322152 /nfs/dbraw/zinc/32/21/52/551322152.db2.gz VKEKQDUBZYZPCJ-UHFFFAOYSA-N -1 3 385.555 2.804 20 30 GFEDHM N#Cc1cccc(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000127275021 551339276 /nfs/dbraw/zinc/33/92/76/551339276.db2.gz XEGYNMPUXKKOOQ-UHFFFAOYSA-N -1 3 381.251 2.646 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153240450 551448977 /nfs/dbraw/zinc/44/89/77/551448977.db2.gz BTRHSODJKVHTEZ-HIFRSBDPSA-N -1 3 377.491 2.576 20 30 GFEDHM N#Cc1ccsc1[N-]C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000154035127 551466162 /nfs/dbraw/zinc/46/61/62/551466162.db2.gz XZTQUVLPIJRYMW-UHFFFAOYSA-N -1 3 378.211 2.867 20 30 GFEDHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157643552 551540437 /nfs/dbraw/zinc/54/04/37/551540437.db2.gz UMRNGTAIOZHSBR-DOMZBBRYSA-N -1 3 383.901 2.573 20 30 GFEDHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180125901 552214398 /nfs/dbraw/zinc/21/43/98/552214398.db2.gz IIYXQYPBVKWBSY-CYBMUJFWSA-N -1 3 379.873 2.740 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000183577089 552313553 /nfs/dbraw/zinc/31/35/53/552313553.db2.gz WYTJEIQGKIOSRB-UHFFFAOYSA-N -1 3 384.292 2.794 20 30 GFEDHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000184954997 552348831 /nfs/dbraw/zinc/34/88/31/552348831.db2.gz HLJFEJFTVJVTRA-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000185860622 552372660 /nfs/dbraw/zinc/37/26/60/552372660.db2.gz NNABWXZUWVCHKS-UHFFFAOYSA-N -1 3 397.250 2.513 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000425177977 563408158 /nfs/dbraw/zinc/40/81/58/563408158.db2.gz JLFQXZUJUQIUFH-ZANVPECISA-N -1 3 380.691 2.972 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000310781949 563435200 /nfs/dbraw/zinc/43/52/00/563435200.db2.gz PAAMPBRDKGBLIN-MRXNPFEDSA-N -1 3 375.881 2.764 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)c(Cl)c1 ZINC000329251891 563476759 /nfs/dbraw/zinc/47/67/59/563476759.db2.gz BSECYMGZNADNGV-ZDUSSCGKSA-N -1 3 386.926 2.935 20 30 GFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC2CCSCC2)CCCC1 ZINC000329694218 563485622 /nfs/dbraw/zinc/48/56/22/563485622.db2.gz AZRORGPCCGWBSF-UHFFFAOYSA-N -1 3 387.527 2.735 20 30 GFEDHM COCCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428255252 563486470 /nfs/dbraw/zinc/48/64/70/563486470.db2.gz JMPMPEYMOVWHMR-CYBMUJFWSA-N -1 3 377.491 2.731 20 30 GFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000285071583 563501670 /nfs/dbraw/zinc/50/16/70/563501670.db2.gz LJCWIVZULFSFGJ-LLVKDONJSA-N -1 3 383.373 2.537 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1C(F)(F)F ZINC000330587317 563511927 /nfs/dbraw/zinc/51/19/27/563511927.db2.gz MGEZBZVFXJYWIP-NSHDSACASA-N -1 3 388.289 2.577 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000331394873 563547769 /nfs/dbraw/zinc/54/77/69/563547769.db2.gz BSYRWFLOVVTSDB-CYBMUJFWSA-N -1 3 383.539 2.981 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000287525143 563605866 /nfs/dbraw/zinc/60/58/66/563605866.db2.gz VTBIIZMVXGCIIN-UHFFFAOYSA-N -1 3 382.283 2.929 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000287927316 563623238 /nfs/dbraw/zinc/62/32/38/563623238.db2.gz UXQVAGRDZORYHO-FZMZJTMJSA-N -1 3 385.283 2.557 20 30 GFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)o1 ZINC000291935661 563765453 /nfs/dbraw/zinc/76/54/53/563765453.db2.gz MOZAEXWNVFQGQM-UHFFFAOYSA-N -1 3 384.255 2.658 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416668152 563859988 /nfs/dbraw/zinc/85/99/88/563859988.db2.gz HDIKKJQZSYYGDX-UHFFFAOYSA-N -1 3 377.235 2.569 20 30 GFEDHM N#C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1cccc(Cl)c1Cl ZINC000471374897 564193873 /nfs/dbraw/zinc/19/38/73/564193873.db2.gz AEPNWJSNLRIPLF-AWEZNQCLSA-N -1 3 378.215 2.810 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000563526721 564195304 /nfs/dbraw/zinc/19/53/04/564195304.db2.gz PIXDCZQAYIDQOX-JTQLQIEISA-N -1 3 375.313 2.742 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000563820501 564209006 /nfs/dbraw/zinc/20/90/06/564209006.db2.gz HJNODXJGRVAMCQ-CYBMUJFWSA-N -1 3 377.235 2.567 20 30 GFEDHM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000540483014 564249404 /nfs/dbraw/zinc/24/94/04/564249404.db2.gz VNIPJEYSDBMDNF-CQSZACIVSA-N -1 3 376.400 2.652 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000508119914 564254692 /nfs/dbraw/zinc/25/46/92/564254692.db2.gz SDOHGMOZMRCHRG-LBPRGKRZSA-N -1 3 381.292 2.902 20 30 GFEDHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)nc1C ZINC000546063060 564442672 /nfs/dbraw/zinc/44/26/72/564442672.db2.gz NTIRRJAJPSAJHA-LBPRGKRZSA-N -1 3 385.511 2.693 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000514911809 564461643 /nfs/dbraw/zinc/46/16/43/564461643.db2.gz FLCSSUIWPRGXRX-GOEBONIOSA-N -1 3 377.853 2.805 20 30 GFEDHM N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000515068883 564468212 /nfs/dbraw/zinc/46/82/12/564468212.db2.gz OUSRYLLIBWBEQE-KRWDZBQOSA-N -1 3 387.281 2.932 20 30 GFEDHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000572250117 564587043 /nfs/dbraw/zinc/58/70/43/564587043.db2.gz HCXBJYOACGLBIT-OAHLLOKOSA-N -1 3 386.901 2.673 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cnc(SC3CCCC3)nc2)s1 ZINC000549555345 564598461 /nfs/dbraw/zinc/59/84/61/564598461.db2.gz FOPDQPQPAYQVLI-UHFFFAOYSA-N -1 3 394.547 2.965 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(Cc3cccs3)no2)ccc1F ZINC000521029063 564617658 /nfs/dbraw/zinc/61/76/58/564617658.db2.gz XLNIJRRGICIIRD-UHFFFAOYSA-N -1 3 379.438 2.992 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1nccs1 ZINC000553494224 564722909 /nfs/dbraw/zinc/72/29/09/564722909.db2.gz BXMYFMVAVGUHAY-UHFFFAOYSA-N -1 3 386.296 2.991 20 30 GFEDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553494304 564722961 /nfs/dbraw/zinc/72/29/61/564722961.db2.gz DUWGZHIGRFFCJN-LLVKDONJSA-N -1 3 395.278 2.936 20 30 GFEDHM O=S(=O)([N-]CCCOCC(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC000553773613 564735988 /nfs/dbraw/zinc/73/59/88/564735988.db2.gz PVSRBJDSPVMRQM-UHFFFAOYSA-N -1 3 399.284 2.972 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000489693198 564749354 /nfs/dbraw/zinc/74/93/54/564749354.db2.gz WWLFCPYRNQUHEY-CQSZACIVSA-N -1 3 377.293 2.984 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000580523323 564762238 /nfs/dbraw/zinc/76/22/38/564762238.db2.gz KWKUDHHCWAYLJU-GOEBONIOSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000490460608 564772456 /nfs/dbraw/zinc/77/24/56/564772456.db2.gz XJQZUVATCYKBHJ-CYBMUJFWSA-N -1 3 379.844 2.908 20 30 GFEDHM C=CCN(CCc1ccco1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000496688143 564861427 /nfs/dbraw/zinc/86/14/27/564861427.db2.gz IDWOEFVVHHWWPQ-UHFFFAOYSA-N -1 3 388.898 2.530 20 30 GFEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(F)c(F)c1 ZINC000557833075 564879868 /nfs/dbraw/zinc/87/98/68/564879868.db2.gz DWZKYKREZDPQEE-CQSZACIVSA-N -1 3 387.433 2.975 20 30 GFEDHM N#CC1([N-]S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)CC1 ZINC000533690287 564970168 /nfs/dbraw/zinc/97/01/68/564970168.db2.gz REOYOZNVLCAJBS-UHFFFAOYSA-N -1 3 384.280 2.907 20 30 GFEDHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)s1 ZINC000560741480 564973753 /nfs/dbraw/zinc/97/37/53/564973753.db2.gz IGGHWWVFKVSCLE-ZDUSSCGKSA-N -1 3 385.555 2.669 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCS1 ZINC000561474508 564996244 /nfs/dbraw/zinc/99/62/44/564996244.db2.gz XTWVRKAGCXFDPK-CYBMUJFWSA-N -1 3 375.313 2.885 20 30 GFEDHM CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000469281553 565011908 /nfs/dbraw/zinc/01/19/08/565011908.db2.gz KKYFNHPKWIQWAN-NSHDSACASA-N -1 3 390.305 2.823 20 30 GFEDHM Cc1csc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000588110569 565126441 /nfs/dbraw/zinc/12/64/41/565126441.db2.gz YLIVHJXMYVPRAQ-UHFFFAOYSA-N -1 3 386.296 2.607 20 30 GFEDHM COc1cc(Br)ccc1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588131807 565127741 /nfs/dbraw/zinc/12/77/41/565127741.db2.gz AQJVCSQYHVIDIT-VIFPVBQESA-N -1 3 385.239 2.962 20 30 GFEDHM N#Cc1ccncc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000588904417 565143993 /nfs/dbraw/zinc/14/39/93/565143993.db2.gz SAHZRDLXZHGLSN-UHFFFAOYSA-N -1 3 383.209 2.608 20 30 GFEDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000593569813 565342559 /nfs/dbraw/zinc/34/25/59/565342559.db2.gz QLNGREDHZWPAMV-LRDDRELGSA-N -1 3 395.893 2.523 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000593591017 565344831 /nfs/dbraw/zinc/34/48/31/565344831.db2.gz PKOHTQHEZNKYES-UHFFFAOYSA-N -1 3 397.909 2.588 20 30 GFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@@H]1OC ZINC000594767089 565418348 /nfs/dbraw/zinc/41/83/48/565418348.db2.gz BHCOHRSNZQYQCJ-LZWOXQAQSA-N -1 3 380.491 2.552 20 30 GFEDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)COCc1ccccc1 ZINC000594820394 565426323 /nfs/dbraw/zinc/42/63/23/565426323.db2.gz UVAPKTPMUDJCSA-QGZVFWFLSA-N -1 3 380.491 2.520 20 30 GFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccs1 ZINC000611538607 566135098 /nfs/dbraw/zinc/13/50/98/566135098.db2.gz UXSXFFALRKTVTJ-GFCCVEGCSA-N -1 3 384.866 2.856 20 30 GFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000657037132 566210485 /nfs/dbraw/zinc/21/04/85/566210485.db2.gz VFYBSFXYGCDNOS-TZMCWYRMSA-N -1 3 386.901 2.617 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CCOCC1 ZINC000657128441 566227732 /nfs/dbraw/zinc/22/77/32/566227732.db2.gz WSLKWIFMSUDWDR-UHFFFAOYSA-N -1 3 390.864 2.841 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736041206 598888012 /nfs/dbraw/zinc/88/80/12/598888012.db2.gz UMMZXVSPKAVNRZ-ZIAGYGMSSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736041206 598888014 /nfs/dbraw/zinc/88/80/14/598888014.db2.gz UMMZXVSPKAVNRZ-ZIAGYGMSSA-N -1 3 393.403 2.516 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737716365 598915781 /nfs/dbraw/zinc/91/57/81/598915781.db2.gz QACIXGGNVOEJRQ-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737716365 598915782 /nfs/dbraw/zinc/91/57/82/598915782.db2.gz QACIXGGNVOEJRQ-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736235046 598920852 /nfs/dbraw/zinc/92/08/52/598920852.db2.gz LRNQLJIHVOKIEL-BZNIZROVSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000736235046 598920854 /nfs/dbraw/zinc/92/08/54/598920854.db2.gz LRNQLJIHVOKIEL-BZNIZROVSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736236944 598928300 /nfs/dbraw/zinc/92/83/00/598928300.db2.gz UJDJZGPPFSQSCC-MEDUHNTESA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736236944 598928302 /nfs/dbraw/zinc/92/83/02/598928302.db2.gz UJDJZGPPFSQSCC-MEDUHNTESA-N -1 3 387.403 2.585 20 30 GFEDHM Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737307460 598955583 /nfs/dbraw/zinc/95/55/83/598955583.db2.gz XVECRJITARXLJS-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM Cc1ccc(C#N)cc1S(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737307460 598955584 /nfs/dbraw/zinc/95/55/84/598955584.db2.gz XVECRJITARXLJS-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735506920 599023238 /nfs/dbraw/zinc/02/32/38/599023238.db2.gz YHZBXEARUFHIPX-AWEZNQCLSA-N -1 3 376.420 2.677 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735506920 599023239 /nfs/dbraw/zinc/02/32/39/599023239.db2.gz YHZBXEARUFHIPX-AWEZNQCLSA-N -1 3 376.420 2.677 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(Cl)cc2[N+](=O)[O-])nc1N ZINC000737705242 599158380 /nfs/dbraw/zinc/15/83/80/599158380.db2.gz OZCSZOVLRHGFSV-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(Cl)cc2[N+](=O)[O-])nc1N ZINC000737705242 599158382 /nfs/dbraw/zinc/15/83/82/599158382.db2.gz OZCSZOVLRHGFSV-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cc(C#N)ccc1F ZINC000820033047 599170582 /nfs/dbraw/zinc/17/05/82/599170582.db2.gz RRTFVZKVVMGFPT-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cc(C#N)ccc1F ZINC000820033047 599170583 /nfs/dbraw/zinc/17/05/83/599170583.db2.gz RRTFVZKVVMGFPT-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1-c1nnn[n-]1 ZINC000737720196 599195592 /nfs/dbraw/zinc/19/55/92/599195592.db2.gz ZNBRPHFLGVEREH-UHFFFAOYSA-N -1 3 375.304 2.645 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1-c1nn[n-]n1 ZINC000737720196 599195594 /nfs/dbraw/zinc/19/55/94/599195594.db2.gz ZNBRPHFLGVEREH-UHFFFAOYSA-N -1 3 375.304 2.645 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000737728000 599255809 /nfs/dbraw/zinc/25/58/09/599255809.db2.gz GYSOLPLBEUPVHC-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000737728000 599255811 /nfs/dbraw/zinc/25/58/11/599255811.db2.gz GYSOLPLBEUPVHC-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000736488493 599279104 /nfs/dbraw/zinc/27/91/04/599279104.db2.gz SRAMVOMKRRVIDK-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819739578 607338036 /nfs/dbraw/zinc/33/80/36/607338036.db2.gz ABNNLKHWXBGWMD-UHFFFAOYSA-N -1 3 386.431 2.539 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819739578 607338038 /nfs/dbraw/zinc/33/80/38/607338038.db2.gz ABNNLKHWXBGWMD-UHFFFAOYSA-N -1 3 386.431 2.539 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)ccc1-c1nnn[n-]1 ZINC000822822654 607352928 /nfs/dbraw/zinc/35/29/28/607352928.db2.gz ABHOCBWNJBKNDC-UHFFFAOYSA-N -1 3 399.370 2.581 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)ccc1-c1nn[n-]n1 ZINC000822822654 607352930 /nfs/dbraw/zinc/35/29/30/607352930.db2.gz ABHOCBWNJBKNDC-UHFFFAOYSA-N -1 3 399.370 2.581 20 30 GFEDHM O=C(OCC#Cc1ccc(F)cc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823396902 607353287 /nfs/dbraw/zinc/35/32/87/607353287.db2.gz OKOOTSSZOZQKRZ-IBGZPJMESA-N -1 3 391.406 2.570 20 30 GFEDHM N#Cc1ccc(F)c(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737718247 598620703 /nfs/dbraw/zinc/62/07/03/598620703.db2.gz MWSGUUJRUIAXBY-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#CCOc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737696483 598647341 /nfs/dbraw/zinc/64/73/41/598647341.db2.gz RNEJJTNDMKYKNP-UHFFFAOYSA-N -1 3 380.433 2.500 20 30 GFEDHM N#CCOc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737696483 598647343 /nfs/dbraw/zinc/64/73/43/598647343.db2.gz RNEJJTNDMKYKNP-UHFFFAOYSA-N -1 3 380.433 2.500 20 30 GFEDHM CCOc1cc(C#N)ccc1OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736626923 598648231 /nfs/dbraw/zinc/64/82/31/598648231.db2.gz MUFUYIUMGZYFFH-UHFFFAOYSA-N -1 3 381.417 2.835 20 30 GFEDHM CCOc1cc(C#N)ccc1OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736626923 598648232 /nfs/dbraw/zinc/64/82/32/598648232.db2.gz MUFUYIUMGZYFFH-UHFFFAOYSA-N -1 3 381.417 2.835 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737703684 598650270 /nfs/dbraw/zinc/65/02/70/598650270.db2.gz AOYGRXJETUUIKU-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737703684 598650272 /nfs/dbraw/zinc/65/02/72/598650272.db2.gz AOYGRXJETUUIKU-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736635972 598656542 /nfs/dbraw/zinc/65/65/42/598656542.db2.gz GBOCBRXOMMCTHK-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736635972 598656544 /nfs/dbraw/zinc/65/65/44/598656544.db2.gz GBOCBRXOMMCTHK-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM N#Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737713315 598665586 /nfs/dbraw/zinc/66/55/86/598665586.db2.gz WSYWZKUODUTGNP-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM N#Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737713315 598665588 /nfs/dbraw/zinc/66/55/88/598665588.db2.gz WSYWZKUODUTGNP-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM Brc1ccc2ncc(C=NNc3cccc(-c4nnn[n-]4)c3)n2c1 ZINC000735368473 599366798 /nfs/dbraw/zinc/36/67/98/599366798.db2.gz MMZRVPMYIDDRDJ-UHFFFAOYSA-N -1 3 383.213 2.723 20 30 GFEDHM Brc1ccc2ncc(C=NNc3cccc(-c4nn[n-]n4)c3)n2c1 ZINC000735368473 599366800 /nfs/dbraw/zinc/36/68/00/599366800.db2.gz MMZRVPMYIDDRDJ-UHFFFAOYSA-N -1 3 383.213 2.723 20 30 GFEDHM N#Cc1ccc(-c2nnc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)o2)cc1 ZINC000822823080 599384789 /nfs/dbraw/zinc/38/47/89/599384789.db2.gz KGXYHJPQERYTFW-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM N#Cc1ccc(-c2nnc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)o2)cc1 ZINC000822823080 599384792 /nfs/dbraw/zinc/38/47/92/599384792.db2.gz KGXYHJPQERYTFW-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(C#N)cc2C)c1-c1nnn[n-]1 ZINC000826257193 607387198 /nfs/dbraw/zinc/38/71/98/607387198.db2.gz RQPJFJCPKBBMQV-UHFFFAOYSA-N -1 3 399.414 2.898 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825817332 607440382 /nfs/dbraw/zinc/44/03/82/607440382.db2.gz HQYXHPGTTOXSJJ-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825817332 607440384 /nfs/dbraw/zinc/44/03/84/607440384.db2.gz HQYXHPGTTOXSJJ-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM CN(C(=O)[O-])C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000737938060 602532528 /nfs/dbraw/zinc/53/25/28/602532528.db2.gz SKPSIOCKQMLXHK-UHFFFAOYSA-N -1 3 390.509 2.901 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)CC1 ZINC000738485246 602678562 /nfs/dbraw/zinc/67/85/62/602678562.db2.gz GSVLIUWSFWNMRE-SFHVURJKSA-N -1 3 378.517 2.591 20 30 GFEDHM C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCN(C(=O)[O-])C1 ZINC000823521802 603943389 /nfs/dbraw/zinc/94/33/89/603943389.db2.gz JTXGTRVMYCKLSY-OAHLLOKOSA-N -1 3 379.530 2.585 20 30 GFEDHM C#CC[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000819692313 606180971 /nfs/dbraw/zinc/18/09/71/606180971.db2.gz BQXRSSBGSLLMQJ-MRXNPFEDSA-N -1 3 378.388 2.997 20 30 GFEDHM C#CC[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000819692313 606180972 /nfs/dbraw/zinc/18/09/72/606180972.db2.gz BQXRSSBGSLLMQJ-MRXNPFEDSA-N -1 3 378.388 2.997 20 30 GFEDHM c1nn(-c2ccccc2)c2ncnc(N=NCc3cc(-c4nnn[n-]4)cs3)c12 ZINC000819718792 606204855 /nfs/dbraw/zinc/20/48/55/606204855.db2.gz QJEJQGDZQOQABZ-UHFFFAOYSA-N -1 3 388.420 2.503 20 30 GFEDHM c1nn(-c2ccccc2)c2ncnc(N=NCc3cc(-c4nn[n-]n4)cs3)c12 ZINC000819718792 606204856 /nfs/dbraw/zinc/20/48/56/606204856.db2.gz QJEJQGDZQOQABZ-UHFFFAOYSA-N -1 3 388.420 2.503 20 30 GFEDHM N#Cc1c[nH]c(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000822819615 606279045 /nfs/dbraw/zinc/27/90/45/606279045.db2.gz YHPRVDNAMQYQLZ-UHFFFAOYSA-N -1 3 375.417 2.725 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000819759298 606369733 /nfs/dbraw/zinc/36/97/33/606369733.db2.gz SOKHHBYLJHRIQQ-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000819759298 606369735 /nfs/dbraw/zinc/36/97/35/606369735.db2.gz SOKHHBYLJHRIQQ-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000823092399 606502030 /nfs/dbraw/zinc/50/20/30/606502030.db2.gz FDIVTRKFAPZAQK-UHFFFAOYSA-N -1 3 385.349 2.596 20 30 GFEDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000823092399 606502032 /nfs/dbraw/zinc/50/20/32/606502032.db2.gz FDIVTRKFAPZAQK-UHFFFAOYSA-N -1 3 385.349 2.596 20 30 GFEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822837209 606561320 /nfs/dbraw/zinc/56/13/20/606561320.db2.gz JNLWFGWLJYKWML-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822837209 606561322 /nfs/dbraw/zinc/56/13/22/606561322.db2.gz JNLWFGWLJYKWML-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820219664 606656975 /nfs/dbraw/zinc/65/69/75/606656975.db2.gz HZWNISJAVQLSIG-LBPRGKRZSA-N -1 3 378.396 2.820 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820219664 606656976 /nfs/dbraw/zinc/65/69/76/606656976.db2.gz HZWNISJAVQLSIG-LBPRGKRZSA-N -1 3 378.396 2.820 20 30 GFEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccccn1 ZINC000819765764 607019360 /nfs/dbraw/zinc/01/93/60/607019360.db2.gz RBLYBKZUYUCOHH-UHFFFAOYSA-N -1 3 376.449 2.999 20 30 GFEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccccn1 ZINC000819765764 607019362 /nfs/dbraw/zinc/01/93/62/607019362.db2.gz RBLYBKZUYUCOHH-UHFFFAOYSA-N -1 3 376.449 2.999 20 30 GFEDHM N#Cc1ccsc1N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000822842433 607124131 /nfs/dbraw/zinc/12/41/31/607124131.db2.gz IDUMGGGKGVVBPE-CYBMUJFWSA-N -1 3 385.840 2.671 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821127887 607234381 /nfs/dbraw/zinc/23/43/81/607234381.db2.gz NSYKCUXGSSCUCI-UHFFFAOYSA-N -1 3 382.815 2.861 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821127887 607234382 /nfs/dbraw/zinc/23/43/82/607234382.db2.gz NSYKCUXGSSCUCI-UHFFFAOYSA-N -1 3 382.815 2.861 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822830223 607242997 /nfs/dbraw/zinc/24/29/97/607242997.db2.gz XPTIPUJWUGFAAB-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822830223 607242998 /nfs/dbraw/zinc/24/29/98/607242998.db2.gz XPTIPUJWUGFAAB-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820031870 607244931 /nfs/dbraw/zinc/24/49/31/607244931.db2.gz ISOBRZBEPSJIPU-QGZVFWFLSA-N -1 3 381.367 2.886 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820031870 607244932 /nfs/dbraw/zinc/24/49/32/607244932.db2.gz ISOBRZBEPSJIPU-QGZVFWFLSA-N -1 3 381.367 2.886 20 30 GFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)-c1ccccc1CC2 ZINC000823856008 607923882 /nfs/dbraw/zinc/92/38/82/607923882.db2.gz GFQHVGPUJPMSST-UHFFFAOYSA-N -1 3 379.445 2.672 20 30 GFEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)-c1ccccc1CC2 ZINC000823856008 607923883 /nfs/dbraw/zinc/92/38/83/607923883.db2.gz GFQHVGPUJPMSST-UHFFFAOYSA-N -1 3 379.445 2.672 20 30 GFEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(CC#N)cc2)c1C ZINC000826331591 607985758 /nfs/dbraw/zinc/98/57/58/607985758.db2.gz PIKCDJPTZDUGHM-UHFFFAOYSA-N -1 3 398.430 2.988 20 30 GFEDHM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825225803 608011960 /nfs/dbraw/zinc/01/19/60/608011960.db2.gz XTEGHQQOJMATGB-UHFFFAOYSA-N -1 3 382.877 2.661 20 30 GFEDHM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825225803 608011961 /nfs/dbraw/zinc/01/19/61/608011961.db2.gz XTEGHQQOJMATGB-UHFFFAOYSA-N -1 3 382.877 2.661 20 30 GFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cccc(OCC#N)c1 ZINC000826167504 608024341 /nfs/dbraw/zinc/02/43/41/608024341.db2.gz HDFMJZDBJAZVRR-UHFFFAOYSA-N -1 3 399.794 2.579 20 30 GFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cccc(OCC#N)c1 ZINC000826167504 608024342 /nfs/dbraw/zinc/02/43/42/608024342.db2.gz HDFMJZDBJAZVRR-UHFFFAOYSA-N -1 3 399.794 2.579 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953863 608094406 /nfs/dbraw/zinc/09/44/06/608094406.db2.gz SUCGWPCYAGEEIV-UHFFFAOYSA-N -1 3 386.510 2.705 20 30 GFEDHM C[C@]1(C#N)CCCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824776614 608140252 /nfs/dbraw/zinc/14/02/52/608140252.db2.gz CYCUTCOKLNBDPR-HXUWFJFHSA-N -1 3 392.419 2.805 20 30 GFEDHM C[C@]1(C#N)CCCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824776614 608140253 /nfs/dbraw/zinc/14/02/53/608140253.db2.gz CYCUTCOKLNBDPR-HXUWFJFHSA-N -1 3 392.419 2.805 20 30 GFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824109798 608290911 /nfs/dbraw/zinc/29/09/11/608290911.db2.gz VXEYMGHPZSXWSI-SNVBAGLBSA-N -1 3 392.851 2.760 20 30 GFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824109798 608290913 /nfs/dbraw/zinc/29/09/13/608290913.db2.gz VXEYMGHPZSXWSI-SNVBAGLBSA-N -1 3 392.851 2.760 20 30 GFEDHM N#Cc1ccc(C2=CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384838 608466458 /nfs/dbraw/zinc/46/64/58/608466458.db2.gz LMWHJEAXOQYEAZ-UHFFFAOYSA-N -1 3 391.460 2.528 20 30 GFEDHM N#Cc1ccc(C2=CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)cc1 ZINC000826384838 608466460 /nfs/dbraw/zinc/46/64/60/608466460.db2.gz LMWHJEAXOQYEAZ-UHFFFAOYSA-N -1 3 391.460 2.528 20 30 GFEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCCO2 ZINC000826212071 608536085 /nfs/dbraw/zinc/53/60/85/608536085.db2.gz FUJOPSREUFLHAD-UHFFFAOYSA-N -1 3 385.815 2.913 20 30 GFEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCCO2 ZINC000826212071 608536087 /nfs/dbraw/zinc/53/60/87/608536087.db2.gz FUJOPSREUFLHAD-UHFFFAOYSA-N -1 3 385.815 2.913 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(-n2ccnc2)cc1 ZINC000823953519 608537947 /nfs/dbraw/zinc/53/79/47/608537947.db2.gz DUBAQARIXBLAEL-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(-n2ccnc2)cc1 ZINC000823953519 608537948 /nfs/dbraw/zinc/53/79/48/608537948.db2.gz DUBAQARIXBLAEL-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(N2CCOCC2)c1 ZINC000823958450 608538522 /nfs/dbraw/zinc/53/85/22/608538522.db2.gz NOVRHWNFXQHMQT-UHFFFAOYSA-N -1 3 398.858 2.588 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(N2CCOCC2)c1 ZINC000823958450 608538523 /nfs/dbraw/zinc/53/85/23/608538523.db2.gz NOVRHWNFXQHMQT-UHFFFAOYSA-N -1 3 398.858 2.588 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823888631 608561491 /nfs/dbraw/zinc/56/14/91/608561491.db2.gz SCFXGRBUWJFOKH-AWEZNQCLSA-N -1 3 395.488 2.932 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823888631 608561493 /nfs/dbraw/zinc/56/14/93/608561493.db2.gz SCFXGRBUWJFOKH-AWEZNQCLSA-N -1 3 395.488 2.932 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888418 608562949 /nfs/dbraw/zinc/56/29/49/608562949.db2.gz MAVFEJVARCAEOV-AWEZNQCLSA-N -1 3 378.436 2.525 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ncc(Cl)cc2Cl)nc1N ZINC000826383602 609174733 /nfs/dbraw/zinc/17/47/33/609174733.db2.gz IIZFJHHBTLCJCF-UHFFFAOYSA-N -1 3 379.236 2.710 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ncc(Cl)cc2Cl)nc1N ZINC000826383602 609174736 /nfs/dbraw/zinc/17/47/36/609174736.db2.gz IIZFJHHBTLCJCF-UHFFFAOYSA-N -1 3 379.236 2.710 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000823909569 609214395 /nfs/dbraw/zinc/21/43/95/609214395.db2.gz JNLOJFPUBSCPKR-NRFANRHFSA-N -1 3 377.448 2.679 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000823909569 609214397 /nfs/dbraw/zinc/21/43/97/609214397.db2.gz JNLOJFPUBSCPKR-NRFANRHFSA-N -1 3 377.448 2.679 20 30 GFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824034983 609226446 /nfs/dbraw/zinc/22/64/46/609226446.db2.gz RDSOTFNYVFSUNP-SJCJKPOMSA-N -1 3 394.460 2.791 20 30 GFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824034983 609226448 /nfs/dbraw/zinc/22/64/48/609226448.db2.gz RDSOTFNYVFSUNP-SJCJKPOMSA-N -1 3 394.460 2.791 20 30 GFEDHM CC(=NNc1ccnc(F)c1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823962142 609279910 /nfs/dbraw/zinc/27/99/10/609279910.db2.gz GFDOVZOGYVZKKS-UHFFFAOYSA-N -1 3 377.387 2.731 20 30 GFEDHM Cn1cc(CN=Nc2cnc3ccccc3n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360554 609306666 /nfs/dbraw/zinc/30/66/66/609306666.db2.gz PBAPWZKRROKQKN-UHFFFAOYSA-N -1 3 396.418 2.656 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234110 609309357 /nfs/dbraw/zinc/30/93/57/609309357.db2.gz ILDGNKIFAKKAEZ-FNORWQNLSA-N -1 3 382.355 2.866 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234110 609309358 /nfs/dbraw/zinc/30/93/58/609309358.db2.gz ILDGNKIFAKKAEZ-FNORWQNLSA-N -1 3 382.355 2.866 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(C)c1F ZINC000823914671 609390963 /nfs/dbraw/zinc/39/09/63/609390963.db2.gz LONDWYMDSSDLTK-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(C)c1F ZINC000823914671 609390967 /nfs/dbraw/zinc/39/09/67/609390967.db2.gz LONDWYMDSSDLTK-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824058718 609432704 /nfs/dbraw/zinc/43/27/04/609432704.db2.gz BCFYCZQFUIDRQH-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2c1 ZINC000826268250 609464615 /nfs/dbraw/zinc/46/46/15/609464615.db2.gz PLZDFKSDBMGZJA-UHFFFAOYSA-N -1 3 389.350 2.692 20 30 GFEDHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2c1 ZINC000826268250 609464616 /nfs/dbraw/zinc/46/46/16/609464616.db2.gz PLZDFKSDBMGZJA-UHFFFAOYSA-N -1 3 389.350 2.692 20 30 GFEDHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2c1 ZINC000826268175 609464817 /nfs/dbraw/zinc/46/48/17/609464817.db2.gz NDHNHTONBGJYLL-UHFFFAOYSA-N -1 3 389.350 2.692 20 30 GFEDHM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2c1 ZINC000826268175 609464820 /nfs/dbraw/zinc/46/48/20/609464820.db2.gz NDHNHTONBGJYLL-UHFFFAOYSA-N -1 3 389.350 2.692 20 30 GFEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942604 609501939 /nfs/dbraw/zinc/50/19/39/609501939.db2.gz GWRWNANLTRKXBG-FLIBITNWSA-N -1 3 375.348 2.689 20 30 GFEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942604 609501940 /nfs/dbraw/zinc/50/19/40/609501940.db2.gz GWRWNANLTRKXBG-FLIBITNWSA-N -1 3 375.348 2.689 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c1-c1nnn[n-]1 ZINC000826238636 609582936 /nfs/dbraw/zinc/58/29/36/609582936.db2.gz LQISWGKCIRXTOK-OAHLLOKOSA-N -1 3 381.827 2.673 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c1-c1nn[n-]n1 ZINC000826238636 609582939 /nfs/dbraw/zinc/58/29/39/609582939.db2.gz LQISWGKCIRXTOK-OAHLLOKOSA-N -1 3 381.827 2.673 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824753511 609618121 /nfs/dbraw/zinc/61/81/21/609618121.db2.gz DQLHCLVUFOZXGT-NSHDSACASA-N -1 3 383.795 2.902 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824753511 609618122 /nfs/dbraw/zinc/61/81/22/609618122.db2.gz DQLHCLVUFOZXGT-NSHDSACASA-N -1 3 383.795 2.902 20 30 GFEDHM C#CCn1ccc(CN(CCOC)Cc2ccc(Br)cc2[O-])n1 ZINC000825726597 660439675 /nfs/dbraw/zinc/43/96/75/660439675.db2.gz SXCXYKSFINZILY-UHFFFAOYSA-N -1 3 378.270 2.633 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1F ZINC000029054660 654574003 /nfs/dbraw/zinc/57/40/03/654574003.db2.gz JSTDLKYZZAQSRL-UHFFFAOYSA-N -1 3 382.844 2.873 20 30 GFEDHM CN(CCc1ccccn1)C(=O)C/N=C/c1cc(Br)ccc1[O-] ZINC000066255562 654898497 /nfs/dbraw/zinc/89/84/97/654898497.db2.gz HFLSVFSCXXYHGS-YBFXNURJSA-N -1 3 376.254 2.670 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000176906234 655260222 /nfs/dbraw/zinc/26/02/22/655260222.db2.gz XOVDNZXPQFMANJ-UHFFFAOYSA-N -1 3 379.345 2.748 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000574792150 655430789 /nfs/dbraw/zinc/43/07/89/655430789.db2.gz VAQNBGAFHGJAOZ-ZWNOBZJWSA-N -1 3 383.363 2.984 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)o1 ZINC000264493046 655464988 /nfs/dbraw/zinc/46/49/88/655464988.db2.gz TUPLMVCSUJXBAW-NSHDSACASA-N -1 3 379.463 2.692 20 30 GFEDHM CC(=NNC(=S)NCCc1ccccn1)c1cc(Br)ccc1[O-] ZINC000726419237 655534045 /nfs/dbraw/zinc/53/40/45/655534045.db2.gz MGUKZLOFZDAXKW-UHFFFAOYSA-N -1 3 393.310 2.981 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cccnc2Cl)ccc1F ZINC000729707778 655567717 /nfs/dbraw/zinc/56/77/17/655567717.db2.gz XBRMYBURNUBFER-UHFFFAOYSA-N -1 3 384.816 2.695 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccc(Br)s2)ccc1-c1nnn[n-]1 ZINC000737708709 655676035 /nfs/dbraw/zinc/67/60/35/655676035.db2.gz ICENPTVBXKACGY-UHFFFAOYSA-N -1 3 389.238 2.744 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccc(Br)s2)ccc1-c1nn[n-]n1 ZINC000737708709 655676038 /nfs/dbraw/zinc/67/60/38/655676038.db2.gz ICENPTVBXKACGY-UHFFFAOYSA-N -1 3 389.238 2.744 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCSCC)ccc1F ZINC000743800479 655731786 /nfs/dbraw/zinc/73/17/86/655731786.db2.gz ADHYFMHESBFNBG-CYBMUJFWSA-N -1 3 388.530 2.894 20 30 GFEDHM CCOc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc(Br)c1[O-] ZINC000753937403 655861199 /nfs/dbraw/zinc/86/11/99/655861199.db2.gz DIGKJYJZCFXKPU-CHWSQXEVSA-N -1 3 381.274 2.747 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCO1 ZINC000755131785 655879976 /nfs/dbraw/zinc/87/99/76/655879976.db2.gz JUPOXPLJDLROMT-GHMZBOCLSA-N -1 3 378.675 2.562 20 30 GFEDHM O=S(=O)(c1ccc(N=NCc2c([O-])cccc2Cl)nc1)N1CCCC1 ZINC000755645196 655886811 /nfs/dbraw/zinc/88/68/11/655886811.db2.gz LKNPLVBAWXXXOY-UHFFFAOYSA-N -1 3 380.857 2.671 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cccnc2)c(Br)c1[O-] ZINC000761016778 655996833 /nfs/dbraw/zinc/99/68/33/655996833.db2.gz ZLGBENZNKLJJQG-UHFFFAOYSA-N -1 3 381.255 2.879 20 30 GFEDHM Cc1ncc(CO)c(C=NNc2ccc([N+](=O)[O-])cc2Br)c1[O-] ZINC000777450273 656824501 /nfs/dbraw/zinc/82/45/01/656824501.db2.gz NWKXDSASZFOYOT-UHFFFAOYSA-N -1 3 381.186 2.705 20 30 GFEDHM O=C([N-]CC(F)(F)F)[C@@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000778238524 656871210 /nfs/dbraw/zinc/87/12/10/656871210.db2.gz XORNJNYBLZVVLI-ZCFIWIBFSA-N -1 3 376.247 2.883 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@@H]1CCCO1 ZINC000790280258 657947150 /nfs/dbraw/zinc/94/71/50/657947150.db2.gz VFKKHYVFBASHPL-QWRGUYRKSA-N -1 3 378.675 2.562 20 30 GFEDHM COC(=O)c1ccc(Br)c(NN=Cc2c([O-])c(C)ncc2CO)c1 ZINC000793116826 658360729 /nfs/dbraw/zinc/36/07/29/658360729.db2.gz FMINUEFGLAFHGH-UHFFFAOYSA-N -1 3 394.225 2.583 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C(F)F)ccc1F ZINC000800207851 659292438 /nfs/dbraw/zinc/29/24/38/659292438.db2.gz FNYQVFAYYOGLHW-CYBMUJFWSA-N -1 3 376.400 2.550 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000845965991 661510804 /nfs/dbraw/zinc/51/08/04/661510804.db2.gz XTNLQDLXIBHNOJ-UHFFFAOYSA-N -1 3 391.262 2.959 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cccc(Br)c2)CCCC1 ZINC000848139092 661627762 /nfs/dbraw/zinc/62/77/62/661627762.db2.gz XIEOXFHERYHTRD-CQSZACIVSA-N -1 3 381.270 2.757 20 30 GFEDHM N#CCC1(COC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000849660787 661738042 /nfs/dbraw/zinc/73/80/42/661738042.db2.gz XCECGDZXMKKNID-UHFFFAOYSA-N -1 3 391.276 2.899 20 30 GFEDHM C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000855439177 661991994 /nfs/dbraw/zinc/99/19/94/661991994.db2.gz XKPMIMJRBYGPPB-ZIAGYGMSSA-N -1 3 385.917 2.607 20 30 GFEDHM C#CCn1ccc(CN(CCOC)Cc2c([O-])cccc2Br)n1 ZINC000862351255 662281993 /nfs/dbraw/zinc/28/19/93/662281993.db2.gz IDRIJYUAQNVGTK-UHFFFAOYSA-N -1 3 378.270 2.633 20 30 GFEDHM O=S(=O)([N-]C[C@H]1CC(C(F)(F)F)=NO1)c1ccc(F)cc1C(F)(F)F ZINC000867527032 662556442 /nfs/dbraw/zinc/55/64/42/662556442.db2.gz ISWXIFGWZPOXIT-SSDOTTSWSA-N -1 3 394.268 2.830 20 30 GFEDHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000878122175 662890253 /nfs/dbraw/zinc/89/02/53/662890253.db2.gz XJYSQTLIMBIWDA-SECBINFHSA-N -1 3 381.738 2.783 20 30 GFEDHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C[C@H](O)C(F)(F)C(F)(F)F ZINC000882783471 663041956 /nfs/dbraw/zinc/04/19/56/663041956.db2.gz ZVRLCDBRXQUVLY-ZETCQYMHSA-N -1 3 377.322 2.536 20 30 GFEDHM C=CCOC[C@H](NCc1cn(-c2ccccc2Br)nc1C)C(=O)[O-] ZINC000901811553 663746733 /nfs/dbraw/zinc/74/67/33/663746733.db2.gz UTRBWIXMWPBGRQ-HNNXBMFYSA-N -1 3 394.269 2.689 20 30 GFEDHM COC(=O)Cc1n[n-]c(NC(=O)c2cc3cc(Br)cc(C)c3o2)n1 ZINC000092352689 551194487 /nfs/dbraw/zinc/19/44/87/551194487.db2.gz UXTRKBXUNIWACA-UHFFFAOYSA-N -1 3 393.197 2.974 20 30 GFEDHM COC(=O)Cc1nnc(NC(=O)c2cc3cc(Br)cc(C)c3o2)[n-]1 ZINC000092352689 551194489 /nfs/dbraw/zinc/19/44/89/551194489.db2.gz UXTRKBXUNIWACA-UHFFFAOYSA-N -1 3 393.197 2.974 20 30 GFEDHM COC(=O)Cc1nc(NC(=O)c2cc3cc(Br)cc(C)c3o2)n[n-]1 ZINC000092352689 551194491 /nfs/dbraw/zinc/19/44/91/551194491.db2.gz UXTRKBXUNIWACA-UHFFFAOYSA-N -1 3 393.197 2.974 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000123620714 551307337 /nfs/dbraw/zinc/30/73/37/551307337.db2.gz TVBNIKAENKIZQA-UHFFFAOYSA-N -1 3 379.360 2.694 20 30 GFEDHM Cc1nc([C@@H]([N-]S(=O)(=O)CCCCC#N)c2ccc(Cl)c(F)c2)no1 ZINC000132778476 551379094 /nfs/dbraw/zinc/37/90/94/551379094.db2.gz OLQWDTKDLJYFJH-AWEZNQCLSA-N -1 3 386.836 2.873 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCC2)c1 ZINC000156335927 551520370 /nfs/dbraw/zinc/52/03/70/551520370.db2.gz JRFISTNMHWDVTD-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000157221599 551534746 /nfs/dbraw/zinc/53/47/46/551534746.db2.gz RSRMLBOZWRGJPL-UHFFFAOYSA-N -1 3 377.853 2.691 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)ccc1Cl ZINC000180068720 552212361 /nfs/dbraw/zinc/21/23/61/552212361.db2.gz HJWYHRFLPVJTKH-UHFFFAOYSA-N -1 3 377.731 2.720 20 30 GFEDHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183400432 552308488 /nfs/dbraw/zinc/30/84/88/552308488.db2.gz DYDBPKBYNJACSJ-UHFFFAOYSA-N -1 3 377.853 2.746 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000183980596 552324293 /nfs/dbraw/zinc/32/42/93/552324293.db2.gz VKXCYLXGDIFXLW-UHFFFAOYSA-N -1 3 385.898 2.533 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000188557777 552448182 /nfs/dbraw/zinc/44/81/82/552448182.db2.gz JCIQQZSKZGJLIM-FZMZJTMJSA-N -1 3 396.818 2.974 20 30 GFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ncccc3Br)n2)cc1 ZINC000193454367 552994107 /nfs/dbraw/zinc/99/41/07/552994107.db2.gz ULJHDXIZYLZFTN-UHFFFAOYSA-N -1 3 383.209 2.608 20 30 GFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000285034204 563499591 /nfs/dbraw/zinc/49/95/91/563499591.db2.gz IOLWFCCRAUCJAD-GWJCSSMESA-N -1 3 375.313 2.984 20 30 GFEDHM CN(C)S(=O)(=O)CC(/N=C/c1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000285625079 563529623 /nfs/dbraw/zinc/52/96/23/563529623.db2.gz VUNGCIFNETYPBN-MMKMDAOXSA-N -1 3 393.214 2.940 20 30 GFEDHM C=C(C)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000331232691 563541494 /nfs/dbraw/zinc/54/14/94/563541494.db2.gz IYHUZBNASJTAEO-CYBMUJFWSA-N -1 3 377.293 2.984 20 30 GFEDHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000287731703 563615676 /nfs/dbraw/zinc/61/56/76/563615676.db2.gz HKDFTMUUVGVPFU-SECBINFHSA-N -1 3 398.286 2.602 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Br)cc2)s1 ZINC000435426158 563649716 /nfs/dbraw/zinc/64/97/16/563649716.db2.gz GSKBMJYSTPDNAA-UHFFFAOYSA-N -1 3 387.280 2.740 20 30 GFEDHM C=C[C@@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442611248 563775941 /nfs/dbraw/zinc/77/59/41/563775941.db2.gz RSXIDTZIGGMSBT-CYBMUJFWSA-N -1 3 389.880 2.508 20 30 GFEDHM COC(=O)c1c([N-]C(=O)c2ncc(C#N)cc2Cl)sc2c1CCOC2 ZINC000416103870 563804994 /nfs/dbraw/zinc/80/49/94/563804994.db2.gz YCPMRHRCTXXBDC-UHFFFAOYSA-N -1 3 377.809 2.780 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000416429579 563828050 /nfs/dbraw/zinc/82/80/50/563828050.db2.gz WEYKFUUROUQUNW-MGPQQGTHSA-N -1 3 385.283 2.557 20 30 GFEDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1C ZINC000416514649 563841485 /nfs/dbraw/zinc/84/14/85/563841485.db2.gz ICYSLICRSGALDC-INIZCTEOSA-N -1 3 378.881 2.710 20 30 GFEDHM C[C@@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000509526050 564303401 /nfs/dbraw/zinc/30/34/01/564303401.db2.gz PUCFXQGBLJQUCK-GFCCVEGCSA-N -1 3 381.860 2.980 20 30 GFEDHM C=CCOc1cccc(NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)c1 ZINC000510487970 564335476 /nfs/dbraw/zinc/33/54/76/564335476.db2.gz DNHCPMLKHYIGQK-UHFFFAOYSA-N -1 3 381.479 2.543 20 30 GFEDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000451937179 564370387 /nfs/dbraw/zinc/37/03/87/564370387.db2.gz ZBMHHMLFFRGBTN-JTQLQIEISA-N -1 3 383.271 2.577 20 30 GFEDHM C=CC[C@H](CC)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000545986960 564439102 /nfs/dbraw/zinc/43/91/02/564439102.db2.gz XSTTXYZFTFGUNJ-DZGCQCFKSA-N -1 3 388.530 2.697 20 30 GFEDHM CC1(C#N)CN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000482597054 564546441 /nfs/dbraw/zinc/54/64/41/564546441.db2.gz IWFAXUIUPSYSED-UHFFFAOYSA-N -1 3 381.523 2.735 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486527837 564655682 /nfs/dbraw/zinc/65/56/82/564655682.db2.gz NAZJGHSPHYYQOB-UHFFFAOYSA-N -1 3 375.837 2.928 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H]1OCCc2sccc21 ZINC000490548302 564776719 /nfs/dbraw/zinc/77/67/19/564776719.db2.gz MRRWQCQOECJFJQ-GTNSWQLSSA-N -1 3 380.466 2.881 20 30 GFEDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000555844052 564806217 /nfs/dbraw/zinc/80/62/17/564806217.db2.gz VHXAQOKKNLRREL-XJKSGUPXSA-N -1 3 395.893 2.523 20 30 GFEDHM N#CCCCC(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000462056937 564814388 /nfs/dbraw/zinc/81/43/88/564814388.db2.gz JGYTYUIASGHRPU-UHFFFAOYSA-N -1 3 380.189 2.736 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(C(=O)Nc2ccccc2)CC1 ZINC000494593941 564834937 /nfs/dbraw/zinc/83/49/37/564834937.db2.gz AUICQYMBMDJXPP-UHFFFAOYSA-N -1 3 375.837 2.661 20 30 GFEDHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000462673839 564853752 /nfs/dbraw/zinc/85/37/52/564853752.db2.gz GJPGCYCYBHNWAC-VIFPVBQESA-N -1 3 397.268 2.617 20 30 GFEDHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000557790651 564876840 /nfs/dbraw/zinc/87/68/40/564876840.db2.gz LWCJFKWUHNOYJD-HNNXBMFYSA-N -1 3 376.825 2.606 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000583429620 564891405 /nfs/dbraw/zinc/89/14/05/564891405.db2.gz FWCXLDAQSREYQZ-UHFFFAOYSA-N -1 3 399.295 2.528 20 30 GFEDHM COc1ccccc1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000589121038 565151325 /nfs/dbraw/zinc/15/13/25/565151325.db2.gz ITADUXKQRQYPKI-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM N#CC1(CC(=O)N=c2cc(-c3ccc(I)cc3)[n-][nH]2)CC1 ZINC000590226722 565180827 /nfs/dbraw/zinc/18/08/27/565180827.db2.gz FVNZLAZNKKOHFP-UHFFFAOYSA-N -1 3 392.200 2.736 20 30 GFEDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000590756703 565200802 /nfs/dbraw/zinc/20/08/02/565200802.db2.gz VYGMJWHJUILJEM-GFCCVEGCSA-N -1 3 398.790 2.515 20 30 GFEDHM C=CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H](C)COC ZINC000617578014 565247368 /nfs/dbraw/zinc/24/73/68/565247368.db2.gz AOVUGGVBKJLMFK-LLVKDONJSA-N -1 3 379.254 2.954 20 30 GFEDHM C=CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@@H](C)COC ZINC000617580489 565247445 /nfs/dbraw/zinc/24/74/45/565247445.db2.gz ZDLUQQJZHGDSLR-NSHDSACASA-N -1 3 379.254 2.954 20 30 GFEDHM C=CCN(C(=O)c1cnc2ccc(Br)cc2c1[O-])[C@@H](C)COC ZINC000617580489 565247447 /nfs/dbraw/zinc/24/74/47/565247447.db2.gz ZDLUQQJZHGDSLR-NSHDSACASA-N -1 3 379.254 2.954 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)s1 ZINC000619547189 565348604 /nfs/dbraw/zinc/34/86/04/565348604.db2.gz LYGHRESOFYWBFH-UHFFFAOYSA-N -1 3 376.507 2.874 20 30 GFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000619597514 565352111 /nfs/dbraw/zinc/35/21/11/565352111.db2.gz SKRIIKYFNZZCRQ-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM COC(=O)c1sccc1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCC1 ZINC000594492919 565396911 /nfs/dbraw/zinc/39/69/11/565396911.db2.gz IEQSPWRQFVTUGJ-UHFFFAOYSA-N -1 3 376.459 2.764 20 30 GFEDHM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594765896 565417693 /nfs/dbraw/zinc/41/76/93/565417693.db2.gz RPGUBGIZIVPYTR-AWEZNQCLSA-N -1 3 379.507 2.520 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000595393186 565472311 /nfs/dbraw/zinc/47/23/11/565472311.db2.gz OOEAUEJTKOPJBM-MRXNPFEDSA-N -1 3 375.881 2.764 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)nn1 ZINC000632635622 566052116 /nfs/dbraw/zinc/05/21/16/566052116.db2.gz FIUPNECFALWCCO-UHFFFAOYSA-N -1 3 391.280 2.648 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000681688283 566122182 /nfs/dbraw/zinc/12/21/82/566122182.db2.gz KJFXZTYAKUPUSK-HNNXBMFYSA-N -1 3 389.901 2.769 20 30 GFEDHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000611538677 566134954 /nfs/dbraw/zinc/13/49/54/566134954.db2.gz LAEUQCQPQLRCOD-UHFFFAOYSA-N -1 3 383.901 2.527 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000611537757 566134982 /nfs/dbraw/zinc/13/49/82/566134982.db2.gz HFUXPLPSKPUVQH-SECBINFHSA-N -1 3 379.251 2.813 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735388338 598849343 /nfs/dbraw/zinc/84/93/43/598849343.db2.gz ZKTAFUIESJAXOE-UHFFFAOYSA-N -1 3 393.472 2.542 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735388338 598849344 /nfs/dbraw/zinc/84/93/44/598849344.db2.gz ZKTAFUIESJAXOE-UHFFFAOYSA-N -1 3 393.472 2.542 20 30 GFEDHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737549460 598917150 /nfs/dbraw/zinc/91/71/50/598917150.db2.gz XPPBCIBPCNRNGJ-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737549460 598917151 /nfs/dbraw/zinc/91/71/51/598917151.db2.gz XPPBCIBPCNRNGJ-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccc1F ZINC000737214393 598917159 /nfs/dbraw/zinc/91/71/59/598917159.db2.gz JKLWJGLVEVNWEX-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccc1F ZINC000737214393 598917160 /nfs/dbraw/zinc/91/71/60/598917160.db2.gz JKLWJGLVEVNWEX-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737522008 598925517 /nfs/dbraw/zinc/92/55/17/598925517.db2.gz LOVZUBHTHFTUOM-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737522008 598925518 /nfs/dbraw/zinc/92/55/18/598925518.db2.gz LOVZUBHTHFTUOM-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736236196 598928066 /nfs/dbraw/zinc/92/80/66/598928066.db2.gz REFIZAFGTKWKEA-APPDUMDISA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736236196 598928068 /nfs/dbraw/zinc/92/80/68/598928068.db2.gz REFIZAFGTKWKEA-APPDUMDISA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735963533 599028923 /nfs/dbraw/zinc/02/89/23/599028923.db2.gz GOOSQEIWIVXGNN-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735963533 599028925 /nfs/dbraw/zinc/02/89/25/599028925.db2.gz GOOSQEIWIVXGNN-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C=CCn1c(S[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC000735443494 599111220 /nfs/dbraw/zinc/11/12/20/599111220.db2.gz XAUHEVSOUNAVNC-AWEZNQCLSA-N -1 3 397.464 2.528 20 30 GFEDHM C=CCn1c(S[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000735443494 599111222 /nfs/dbraw/zinc/11/12/22/599111222.db2.gz XAUHEVSOUNAVNC-AWEZNQCLSA-N -1 3 397.464 2.528 20 30 GFEDHM O=C(/C=C\c1cnc2ccc(-c3nn[n-]n3)cn12)c1c(Cl)nc2sccn21 ZINC000737804640 599158171 /nfs/dbraw/zinc/15/81/71/599158171.db2.gz COADGZXEFHSEAE-IHWYPQMZSA-N -1 3 396.823 2.773 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ncc(-c3ccccc3F)o2)nc1N ZINC000737706049 599162902 /nfs/dbraw/zinc/16/29/02/599162902.db2.gz VKQILOMSJDBSGB-UHFFFAOYSA-N -1 3 394.395 2.802 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ncc(-c3ccccc3F)o2)nc1N ZINC000737706049 599162905 /nfs/dbraw/zinc/16/29/05/599162905.db2.gz VKQILOMSJDBSGB-UHFFFAOYSA-N -1 3 394.395 2.802 20 30 GFEDHM C=CCOc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1OC ZINC000819759072 599180648 /nfs/dbraw/zinc/18/06/48/599180648.db2.gz NSKDKTIVRJDVGS-UHFFFAOYSA-N -1 3 383.383 2.509 20 30 GFEDHM C=CCOc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1OC ZINC000819759072 599180649 /nfs/dbraw/zinc/18/06/49/599180649.db2.gz NSKDKTIVRJDVGS-UHFFFAOYSA-N -1 3 383.383 2.509 20 30 GFEDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736174297 599190719 /nfs/dbraw/zinc/19/07/19/599190719.db2.gz MVAXIVOSHLYWSZ-VIFPVBQESA-N -1 3 386.774 2.937 20 30 GFEDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736174297 599190722 /nfs/dbraw/zinc/19/07/22/599190722.db2.gz MVAXIVOSHLYWSZ-VIFPVBQESA-N -1 3 386.774 2.937 20 30 GFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000736817569 599269105 /nfs/dbraw/zinc/26/91/05/599269105.db2.gz DPQMHQUXQDDPQW-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000736817569 599269107 /nfs/dbraw/zinc/26/91/07/599269107.db2.gz DPQMHQUXQDDPQW-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000735450629 599285159 /nfs/dbraw/zinc/28/51/59/599285159.db2.gz BMZCLDDJFQFDDG-LJQANCHMSA-N -1 3 377.452 2.556 20 30 GFEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000735450629 599285161 /nfs/dbraw/zinc/28/51/61/599285161.db2.gz BMZCLDDJFQFDDG-LJQANCHMSA-N -1 3 377.452 2.556 20 30 GFEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736821305 598278249 /nfs/dbraw/zinc/27/82/49/598278249.db2.gz CQNOSUPASUZJDM-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736821305 598278250 /nfs/dbraw/zinc/27/82/50/598278250.db2.gz CQNOSUPASUZJDM-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735734680 598299946 /nfs/dbraw/zinc/29/99/46/598299946.db2.gz JKMJOAABNUCLAN-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735734680 598299948 /nfs/dbraw/zinc/29/99/48/598299948.db2.gz JKMJOAABNUCLAN-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2ncon2)cc1 ZINC000735421415 598420534 /nfs/dbraw/zinc/42/05/34/598420534.db2.gz YWNKNGLKSSGZGO-UHFFFAOYSA-N -1 3 387.403 2.745 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2ncon2)cc1 ZINC000735421415 598420535 /nfs/dbraw/zinc/42/05/35/598420535.db2.gz YWNKNGLKSSGZGO-UHFFFAOYSA-N -1 3 387.403 2.745 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000735647873 598535490 /nfs/dbraw/zinc/53/54/90/598535490.db2.gz GAXRSRJFDZXKTB-QGZVFWFLSA-N -1 3 390.447 2.924 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000735647873 598535492 /nfs/dbraw/zinc/53/54/92/598535492.db2.gz GAXRSRJFDZXKTB-QGZVFWFLSA-N -1 3 390.447 2.924 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737722969 598545604 /nfs/dbraw/zinc/54/56/04/598545604.db2.gz ZTZCVVYYHNMRCS-VURMDHGXSA-N -1 3 382.330 2.992 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737722969 598545606 /nfs/dbraw/zinc/54/56/06/598545606.db2.gz ZTZCVVYYHNMRCS-VURMDHGXSA-N -1 3 382.330 2.992 20 30 GFEDHM CCCNC(=S)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736488303 598546144 /nfs/dbraw/zinc/54/61/44/598546144.db2.gz NYFSCUPENPXPKE-UHFFFAOYSA-N -1 3 395.492 2.654 20 30 GFEDHM CCCNC(=S)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736488303 598546145 /nfs/dbraw/zinc/54/61/45/598546145.db2.gz NYFSCUPENPXPKE-UHFFFAOYSA-N -1 3 395.492 2.654 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000736169177 598625533 /nfs/dbraw/zinc/62/55/33/598625533.db2.gz KIEUGMFADDNXBE-VFNWGFHPSA-N -1 3 390.447 2.665 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201657 598638807 /nfs/dbraw/zinc/63/88/07/598638807.db2.gz FWVPMRGWXROPBG-GQCTYLIASA-N -1 3 377.404 2.590 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201657 598638809 /nfs/dbraw/zinc/63/88/09/598638809.db2.gz FWVPMRGWXROPBG-GQCTYLIASA-N -1 3 377.404 2.590 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2c(s1)CCOC2 ZINC000735418449 598656024 /nfs/dbraw/zinc/65/60/24/598656024.db2.gz FGWDGNNFMMINQQ-UHFFFAOYSA-N -1 3 381.461 2.829 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2c(s1)CCOC2 ZINC000735418449 598656026 /nfs/dbraw/zinc/65/60/26/598656026.db2.gz FGWDGNNFMMINQQ-UHFFFAOYSA-N -1 3 381.461 2.829 20 30 GFEDHM N#Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737718136 598663419 /nfs/dbraw/zinc/66/34/19/598663419.db2.gz FQVZIILTTCSBNL-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM N#Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737718136 598663421 /nfs/dbraw/zinc/66/34/21/598663421.db2.gz FQVZIILTTCSBNL-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735436144 598667492 /nfs/dbraw/zinc/66/74/92/598667492.db2.gz GRJDKHDRDZDWJS-AWEZNQCLSA-N -1 3 379.420 2.515 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735436144 598667494 /nfs/dbraw/zinc/66/74/94/598667494.db2.gz GRJDKHDRDZDWJS-AWEZNQCLSA-N -1 3 379.420 2.515 20 30 GFEDHM COc1ccc(OC)c(C=NOCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107957 598698594 /nfs/dbraw/zinc/69/85/94/598698594.db2.gz HALIVIRJFJULAW-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000735437070 598728818 /nfs/dbraw/zinc/72/88/18/598728818.db2.gz WQFHBRGWKYTWSC-UHFFFAOYSA-N -1 3 380.408 2.762 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000735437070 598728820 /nfs/dbraw/zinc/72/88/20/598728820.db2.gz WQFHBRGWKYTWSC-UHFFFAOYSA-N -1 3 380.408 2.762 20 30 GFEDHM C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736159559 598758316 /nfs/dbraw/zinc/75/83/16/598758316.db2.gz WMKPFRBOJYTPTA-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736159559 598758318 /nfs/dbraw/zinc/75/83/18/598758318.db2.gz WMKPFRBOJYTPTA-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@H](Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C(=O)N(C)CCC#N ZINC000736137557 598786783 /nfs/dbraw/zinc/78/67/83/598786783.db2.gz KVODOUSZSAUNRO-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@H](Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)N(C)CCC#N ZINC000736137557 598786785 /nfs/dbraw/zinc/78/67/85/598786785.db2.gz KVODOUSZSAUNRO-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000819751626 599438253 /nfs/dbraw/zinc/43/82/53/599438253.db2.gz YAVVQGDNKSUOIN-UHFFFAOYSA-N -1 3 379.424 2.795 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000819751626 599438256 /nfs/dbraw/zinc/43/82/56/599438256.db2.gz YAVVQGDNKSUOIN-UHFFFAOYSA-N -1 3 379.424 2.795 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(N2CCCC2=O)cc1 ZINC000737810114 599462135 /nfs/dbraw/zinc/46/21/35/599462135.db2.gz XQZJVJZQGMQIKI-CMDGGOBGSA-N -1 3 399.414 2.537 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(N2CCCC2=O)cc1 ZINC000737810114 599462138 /nfs/dbraw/zinc/46/21/38/599462138.db2.gz XQZJVJZQGMQIKI-CMDGGOBGSA-N -1 3 399.414 2.537 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000826253130 607444912 /nfs/dbraw/zinc/44/49/12/607444912.db2.gz GDDWFXRLCARDLF-LJQANCHMSA-N -1 3 388.431 2.759 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000826253130 607444914 /nfs/dbraw/zinc/44/49/14/607444914.db2.gz GDDWFXRLCARDLF-LJQANCHMSA-N -1 3 388.431 2.759 20 30 GFEDHM Cc1cc(C(=O)NC2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000738331214 600567751 /nfs/dbraw/zinc/56/77/51/600567751.db2.gz VTICIZCHOWXCRC-IBGZPJMESA-N -1 3 381.432 2.788 20 30 GFEDHM CC(C)OC(=O)c1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000824309161 607541475 /nfs/dbraw/zinc/54/14/75/607541475.db2.gz HHTFILZXMFUUQQ-UHFFFAOYSA-N -1 3 395.448 2.573 20 30 GFEDHM CC(C)OC(=O)c1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000824309161 607541476 /nfs/dbraw/zinc/54/14/76/607541476.db2.gz HHTFILZXMFUUQQ-UHFFFAOYSA-N -1 3 395.448 2.573 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826180386 607645471 /nfs/dbraw/zinc/64/54/71/607645471.db2.gz FNBQCAAJKMKDGS-VMPITWQZSA-N -1 3 381.367 2.869 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826180386 607645472 /nfs/dbraw/zinc/64/54/72/607645472.db2.gz FNBQCAAJKMKDGS-VMPITWQZSA-N -1 3 381.367 2.869 20 30 GFEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000799790108 606792125 /nfs/dbraw/zinc/79/21/25/606792125.db2.gz HVNFKQRDEHMFMN-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000799790108 606792127 /nfs/dbraw/zinc/79/21/27/606792127.db2.gz HVNFKQRDEHMFMN-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821641305 606932823 /nfs/dbraw/zinc/93/28/23/606932823.db2.gz ZSHVOPDTJZRYMA-ZWXCPPHNSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821641305 606932825 /nfs/dbraw/zinc/93/28/25/606932825.db2.gz ZSHVOPDTJZRYMA-ZWXCPPHNSA-N -1 3 378.388 2.703 20 30 GFEDHM Brc1ccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)nc1 ZINC000819688406 607147878 /nfs/dbraw/zinc/14/78/78/607147878.db2.gz IOWZXNQSNNMNMD-UHFFFAOYSA-N -1 3 383.213 2.952 20 30 GFEDHM Brc1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nc1 ZINC000819688406 607147880 /nfs/dbraw/zinc/14/78/80/607147880.db2.gz IOWZXNQSNNMNMD-UHFFFAOYSA-N -1 3 383.213 2.952 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ncc(C#N)cc1Cl ZINC000821123251 607234396 /nfs/dbraw/zinc/23/43/96/607234396.db2.gz OHCBKZZSPJUKJB-UHFFFAOYSA-N -1 3 382.815 2.861 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1-c1nnn[n-]1 ZINC000825531350 607835848 /nfs/dbraw/zinc/83/58/48/607835848.db2.gz IZEIBEPAEYZDPG-NSHDSACASA-N -1 3 398.427 2.591 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1-c1nn[n-]n1 ZINC000825531350 607835849 /nfs/dbraw/zinc/83/58/49/607835849.db2.gz IZEIBEPAEYZDPG-NSHDSACASA-N -1 3 398.427 2.591 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824207015 607954524 /nfs/dbraw/zinc/95/45/24/607954524.db2.gz NUAXOKSHLDMGDL-LJQANCHMSA-N -1 3 388.431 2.731 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824207015 607954525 /nfs/dbraw/zinc/95/45/25/607954525.db2.gz NUAXOKSHLDMGDL-LJQANCHMSA-N -1 3 388.431 2.731 20 30 GFEDHM N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826385557 608051116 /nfs/dbraw/zinc/05/11/16/608051116.db2.gz QYDKBBDSIJORPA-UHFFFAOYSA-N -1 3 385.225 2.992 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(Cl)nc1C ZINC000823909871 608120052 /nfs/dbraw/zinc/12/00/52/608120052.db2.gz SGPYJFBVGQSEFU-UHFFFAOYSA-N -1 3 382.855 2.981 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(Cl)nc1C ZINC000823909871 608120053 /nfs/dbraw/zinc/12/00/53/608120053.db2.gz SGPYJFBVGQSEFU-UHFFFAOYSA-N -1 3 382.855 2.981 20 30 GFEDHM C#CCOCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823855873 608133324 /nfs/dbraw/zinc/13/33/24/608133324.db2.gz CEKKQTYVCMWIJL-UHFFFAOYSA-N -1 3 397.822 2.692 20 30 GFEDHM C#CCOCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823855873 608133325 /nfs/dbraw/zinc/13/33/25/608133325.db2.gz CEKKQTYVCMWIJL-UHFFFAOYSA-N -1 3 397.822 2.692 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000826170699 608365707 /nfs/dbraw/zinc/36/57/07/608365707.db2.gz LPIRDZVQDWOJEM-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000826170699 608365708 /nfs/dbraw/zinc/36/57/08/608365708.db2.gz LPIRDZVQDWOJEM-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM N#C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C(F)F ZINC000826379019 608387133 /nfs/dbraw/zinc/38/71/33/608387133.db2.gz HGYWNXOCFAZSCC-LBPRGKRZSA-N -1 3 394.345 2.857 20 30 GFEDHM N#C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C(F)F ZINC000826379019 608387134 /nfs/dbraw/zinc/38/71/34/608387134.db2.gz HGYWNXOCFAZSCC-LBPRGKRZSA-N -1 3 394.345 2.857 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cnn(Cc3ccccc3)c2)n1 ZINC000826351149 608538017 /nfs/dbraw/zinc/53/80/17/608538017.db2.gz ZDGDVHSIZLXDMI-UHFFFAOYSA-N -1 3 379.815 2.606 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cnn(Cc3ccccc3)c2)n1 ZINC000826351149 608538018 /nfs/dbraw/zinc/53/80/18/608538018.db2.gz ZDGDVHSIZLXDMI-UHFFFAOYSA-N -1 3 379.815 2.606 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nnn1-c1ccc(F)cc1 ZINC000826234070 608877461 /nfs/dbraw/zinc/87/74/61/608877461.db2.gz HHBBFWHPRXYBLJ-OQFOIZHKSA-N -1 3 393.357 2.930 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nnn1-c1ccc(F)cc1 ZINC000826234070 608877463 /nfs/dbraw/zinc/87/74/63/608877463.db2.gz HHBBFWHPRXYBLJ-OQFOIZHKSA-N -1 3 393.357 2.930 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826180625 608879421 /nfs/dbraw/zinc/87/94/21/608879421.db2.gz PVFOWRQXSRPULM-XBXARRHUSA-N -1 3 381.367 2.869 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826180625 608879423 /nfs/dbraw/zinc/87/94/23/608879423.db2.gz PVFOWRQXSRPULM-XBXARRHUSA-N -1 3 381.367 2.869 20 30 GFEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823925905 609156151 /nfs/dbraw/zinc/15/61/51/609156151.db2.gz QKPOYDTZXARDRJ-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823925905 609156154 /nfs/dbraw/zinc/15/61/54/609156154.db2.gz QKPOYDTZXARDRJ-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456699 609191161 /nfs/dbraw/zinc/19/11/61/609191161.db2.gz SLFXCIPEZDQKMY-NRFANRHFSA-N -1 3 395.422 2.939 20 30 GFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456699 609191163 /nfs/dbraw/zinc/19/11/63/609191163.db2.gz SLFXCIPEZDQKMY-NRFANRHFSA-N -1 3 395.422 2.939 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(CC(C)C)[nH]c(=O)c1 ZINC000823914603 609258433 /nfs/dbraw/zinc/25/84/33/609258433.db2.gz JMYZBTFDCYEOON-UHFFFAOYSA-N -1 3 392.463 2.994 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(CC(C)C)[nH]c(=O)c1 ZINC000823914603 609258434 /nfs/dbraw/zinc/25/84/34/609258434.db2.gz JMYZBTFDCYEOON-UHFFFAOYSA-N -1 3 392.463 2.994 20 30 GFEDHM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826181052 609271829 /nfs/dbraw/zinc/27/18/29/609271829.db2.gz JFABRQLOLMGXBM-ALCCZGGFSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826181052 609271831 /nfs/dbraw/zinc/27/18/31/609271831.db2.gz JFABRQLOLMGXBM-ALCCZGGFSA-N -1 3 384.367 2.928 20 30 GFEDHM Cn1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360736 609303101 /nfs/dbraw/zinc/30/31/01/609303101.db2.gz VZGQRFAXLLPFOD-UHFFFAOYSA-N -1 3 389.379 2.621 20 30 GFEDHM Cn1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360736 609303102 /nfs/dbraw/zinc/30/31/02/609303102.db2.gz VZGQRFAXLLPFOD-UHFFFAOYSA-N -1 3 389.379 2.621 20 30 GFEDHM N#Cc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826385078 609345354 /nfs/dbraw/zinc/34/53/54/609345354.db2.gz WGGYOVZWRIOKOS-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM N#Cc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826385078 609345355 /nfs/dbraw/zinc/34/53/55/609345355.db2.gz WGGYOVZWRIOKOS-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM CC(C)(C#N)CNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824059267 609411829 /nfs/dbraw/zinc/41/18/29/609411829.db2.gz RFMMIWIRXRXWQN-UHFFFAOYSA-N -1 3 381.465 2.944 20 30 GFEDHM N#Cc1cc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)ccn1 ZINC000826383858 609445084 /nfs/dbraw/zinc/44/50/84/609445084.db2.gz UVLFPOPMHUDTQG-UHFFFAOYSA-N -1 3 377.799 2.585 20 30 GFEDHM CCN(CCC#N)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825419049 609451894 /nfs/dbraw/zinc/45/18/94/609451894.db2.gz FFHPKWAYAKEEJY-UHFFFAOYSA-N -1 3 384.387 2.740 20 30 GFEDHM CCN(CCC#N)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825419049 609451895 /nfs/dbraw/zinc/45/18/95/609451895.db2.gz FFHPKWAYAKEEJY-UHFFFAOYSA-N -1 3 384.387 2.740 20 30 GFEDHM C[C@H]1C[C@H](NN=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824893090 609518482 /nfs/dbraw/zinc/51/84/82/609518482.db2.gz PCBBMXQBJMSXDD-MAUKXSAKSA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@H]1C[C@H](NN=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCO1 ZINC000824893090 609518485 /nfs/dbraw/zinc/51/84/85/609518485.db2.gz PCBBMXQBJMSXDD-MAUKXSAKSA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@@H]1C[C@H](NN=Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824892243 609518617 /nfs/dbraw/zinc/51/86/17/609518617.db2.gz FUPNMMAWLDXFBJ-DNVCBOLYSA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@@H]1C[C@H](NN=Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000824892243 609518619 /nfs/dbraw/zinc/51/86/19/609518619.db2.gz FUPNMMAWLDXFBJ-DNVCBOLYSA-N -1 3 392.463 2.937 20 30 GFEDHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)nn1-c1cccc(C#N)c1 ZINC000826261833 609596536 /nfs/dbraw/zinc/59/65/36/609596536.db2.gz URZPMIXMFYXJPK-UHFFFAOYSA-N -1 3 389.350 2.591 20 30 GFEDHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)nn1-c1cccc(C#N)c1 ZINC000826261833 609596538 /nfs/dbraw/zinc/59/65/38/609596538.db2.gz URZPMIXMFYXJPK-UHFFFAOYSA-N -1 3 389.350 2.591 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000824033712 609624990 /nfs/dbraw/zinc/62/49/90/609624990.db2.gz AADXIDJAOWERDN-CHWSQXEVSA-N -1 3 378.392 2.564 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000824033712 609624992 /nfs/dbraw/zinc/62/49/92/609624992.db2.gz AADXIDJAOWERDN-CHWSQXEVSA-N -1 3 378.392 2.564 20 30 GFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)N2CCc3c(nc[n-]c3=O)C2)s1 ZINC000819487723 660259962 /nfs/dbraw/zinc/25/99/62/660259962.db2.gz GKOJCUFRKOHNSR-UHFFFAOYSA-N -1 3 396.925 2.919 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Br)cn1 ZINC000826834138 660467999 /nfs/dbraw/zinc/46/79/99/660467999.db2.gz QWJUZGPQRIZVTG-UHFFFAOYSA-N -1 3 389.253 2.682 20 30 GFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Br)n(C)n1 ZINC000835063389 660840043 /nfs/dbraw/zinc/84/00/43/660840043.db2.gz XVNNUVKWHLRSNP-JTQLQIEISA-N -1 3 391.225 2.542 20 30 GFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000125756308 654801427 /nfs/dbraw/zinc/80/14/27/654801427.db2.gz UCVUABGAZMDACS-UHFFFAOYSA-N -1 3 398.706 2.982 20 30 GFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000173741247 655178961 /nfs/dbraw/zinc/17/89/61/655178961.db2.gz WKATWALPSOVSAR-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM CC(N=Nc1ncnc2c1c(Br)nn2C)c1ccc([O-])c(F)c1 ZINC000728429973 655555512 /nfs/dbraw/zinc/55/55/12/655555512.db2.gz UHFBECBJIWGBNZ-UHFFFAOYSA-N -1 3 379.193 2.807 20 30 GFEDHM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2cc(Br)ccc2[O-])n1 ZINC000730567079 655576556 /nfs/dbraw/zinc/57/65/56/655576556.db2.gz XCIQYKCZZIWQMF-UHFFFAOYSA-N -1 3 393.270 2.720 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CCC(F)(F)F)ccc1F ZINC000748187615 655788440 /nfs/dbraw/zinc/78/84/40/655788440.db2.gz PMIGNWWPLVYYKX-UHFFFAOYSA-N -1 3 382.379 2.705 20 30 GFEDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccc(Cl)cc1Cl ZINC000760308897 655975448 /nfs/dbraw/zinc/97/54/48/655975448.db2.gz NSVXFPNCFFCDMN-AWEZNQCLSA-N -1 3 392.304 2.852 20 30 GFEDHM COc1ccc(C=NN2C(=O)NC3(CCCCC3)C2=O)c(Br)c1[O-] ZINC000761015590 655996470 /nfs/dbraw/zinc/99/64/70/655996470.db2.gz NZPYYISATGPGMS-UHFFFAOYSA-N -1 3 396.241 2.752 20 30 GFEDHM N#CC1(COC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000775837751 656684827 /nfs/dbraw/zinc/68/48/27/656684827.db2.gz YARKGSQCGPNMOT-UHFFFAOYSA-N -1 3 377.249 2.509 20 30 GFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc2c(s1)SCC(=O)N2 ZINC000778540120 656884286 /nfs/dbraw/zinc/88/42/86/656884286.db2.gz JZCVSSHGNWMEFI-UHFFFAOYSA-N -1 3 381.504 2.636 20 30 GFEDHM N#Cc1ccc([C@@H](O)C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000780994971 657039661 /nfs/dbraw/zinc/03/96/61/657039661.db2.gz WWVVDTBFFUYCFF-CQSZACIVSA-N -1 3 394.168 2.541 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000782099072 657102421 /nfs/dbraw/zinc/10/24/21/657102421.db2.gz QQVCCTPZQDPOQK-UHFFFAOYSA-N -1 3 390.292 2.714 20 30 GFEDHM COc1ccc(Br)c(CNN=C2C(=O)Nc3cc([O-])ccc32)c1 ZINC000788725362 657779890 /nfs/dbraw/zinc/77/98/90/657779890.db2.gz GURUOFJQFTVDLK-UHFFFAOYSA-N -1 3 376.210 2.609 20 30 GFEDHM C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000791204822 658069222 /nfs/dbraw/zinc/06/92/22/658069222.db2.gz JTZFAGFIYGFGND-JTQLQIEISA-N -1 3 389.304 2.966 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000797842100 659059303 /nfs/dbraw/zinc/05/93/03/659059303.db2.gz VEIQBOPZFSGCBS-PWSUYJOCSA-N -1 3 393.914 2.756 20 30 GFEDHM C#C[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1)C(C)(C)C ZINC000805146809 659751229 /nfs/dbraw/zinc/75/12/29/659751229.db2.gz MFVOBPVAZWWZDC-MRXNPFEDSA-N -1 3 386.539 2.555 20 30 GFEDHM CC1(C)Cc2nc(N)sc2C(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000814861004 660097477 /nfs/dbraw/zinc/09/74/77/660097477.db2.gz WYXNOFBCEZISSP-UHFFFAOYSA-N -1 3 378.523 2.564 20 30 GFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000859424376 662161840 /nfs/dbraw/zinc/16/18/40/662161840.db2.gz QAWWXQBNECHQRB-JTQLQIEISA-N -1 3 380.691 2.809 20 30 GFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(Br)c1 ZINC000860201496 662192480 /nfs/dbraw/zinc/19/24/80/662192480.db2.gz MFMBRYMZKKQIBQ-HWPZZCPQSA-N -1 3 383.242 2.754 20 30 GFEDHM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000878122177 662890207 /nfs/dbraw/zinc/89/02/07/662890207.db2.gz XJYSQTLIMBIWDA-VIFPVBQESA-N -1 3 381.738 2.783 20 30 GFEDHM O=C(NCC#C[C@@H]1CCCCO1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000891126466 663325544 /nfs/dbraw/zinc/32/55/44/663325544.db2.gz JHFXYUYRHWBRIT-ZDUSSCGKSA-N -1 3 389.249 2.593 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000121876147 551244783 /nfs/dbraw/zinc/24/47/83/551244783.db2.gz BVLZNXXLLUBZBK-UHFFFAOYSA-N -1 3 382.302 2.994 20 30 GFEDHM N#Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000127277737 551339480 /nfs/dbraw/zinc/33/94/80/551339480.db2.gz RIKCKCJLJZHONJ-UHFFFAOYSA-N -1 3 385.214 2.644 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000155748974 551506996 /nfs/dbraw/zinc/50/69/96/551506996.db2.gz WHBCHIRMRXKZFW-SECBINFHSA-N -1 3 395.200 2.507 20 30 GFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000156004943 551512905 /nfs/dbraw/zinc/51/29/05/551512905.db2.gz OJBKGGVCPVINSG-UHFFFAOYSA-N -1 3 398.282 2.912 20 30 GFEDHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157644151 551540592 /nfs/dbraw/zinc/54/05/92/551540592.db2.gz MCJDZYIIEUCSHR-OLZOCXBDSA-N -1 3 383.901 2.573 20 30 GFEDHM N#CCCCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161829355 551598790 /nfs/dbraw/zinc/59/87/90/551598790.db2.gz OHTXCZWRJRJTPO-INIZCTEOSA-N -1 3 385.917 2.623 20 30 GFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000180065916 552211442 /nfs/dbraw/zinc/21/14/42/552211442.db2.gz NYEUBEKTHKOAHH-UHFFFAOYSA-N -1 3 392.930 2.884 20 30 GFEDHM C=CCC[C@H](C(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000188740196 552453964 /nfs/dbraw/zinc/45/39/64/552453964.db2.gz GBPOVQGCHNTJHT-INIZCTEOSA-N -1 3 378.519 2.893 20 30 GFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000451801688 564353050 /nfs/dbraw/zinc/35/30/50/564353050.db2.gz IQSRMMDSDXKQNA-UHFFFAOYSA-N -1 3 393.259 2.919 20 30 GFEDHM C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428374279 563488235 /nfs/dbraw/zinc/48/82/35/563488235.db2.gz NVRSILAGMJPBND-LLVKDONJSA-N -1 3 380.267 2.625 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C#N)CSC)c(Cl)cc1Cl ZINC000285120417 563504612 /nfs/dbraw/zinc/50/46/12/563504612.db2.gz PEWIMBNWXHOEFO-ZDUSSCGKSA-N -1 3 397.305 2.704 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC(=O)Nc3ccccc32)c(Cl)c1 ZINC000378609408 563512198 /nfs/dbraw/zinc/51/21/98/563512198.db2.gz TZGOCLUONKLYIO-LBPRGKRZSA-N -1 3 375.837 2.616 20 30 GFEDHM CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)C1 ZINC000330980137 563530341 /nfs/dbraw/zinc/53/03/41/563530341.db2.gz MKNLXOLHVDJGHP-NWDGAFQWSA-N -1 3 391.584 2.676 20 30 GFEDHM N#CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CC1 ZINC000429982870 563531134 /nfs/dbraw/zinc/53/11/34/563531134.db2.gz DVLZDHVEKRDDFL-ZDUSSCGKSA-N -1 3 384.885 2.727 20 30 GFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1 ZINC000410340065 563586806 /nfs/dbraw/zinc/58/68/06/563586806.db2.gz WKDOFVVCRSWNAO-ZDUSSCGKSA-N -1 3 375.288 2.815 20 30 GFEDHM C=CCC(C)(C)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000432578708 563587530 /nfs/dbraw/zinc/58/75/30/563587530.db2.gz LOGBRTZARHYRBO-UHFFFAOYSA-N -1 3 391.896 2.659 20 30 GFEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Cc1ccccc1 ZINC000435425946 563649672 /nfs/dbraw/zinc/64/96/72/563649672.db2.gz FSSVDMYAUOQMMC-INIZCTEOSA-N -1 3 377.535 2.851 20 30 GFEDHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cs1 ZINC000290137030 563699484 /nfs/dbraw/zinc/69/94/84/563699484.db2.gz MFZLFPATRSVPPQ-UHFFFAOYSA-N -1 3 391.396 2.658 20 30 GFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000292569133 563790524 /nfs/dbraw/zinc/79/05/24/563790524.db2.gz OMFJVEMJWJYONJ-CYBMUJFWSA-N -1 3 377.329 2.556 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F)c1 ZINC000443938727 563815337 /nfs/dbraw/zinc/81/53/37/563815337.db2.gz FNFJZEHTQKNHCV-BXUZGUMPSA-N -1 3 378.416 2.858 20 30 GFEDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416407166 563823850 /nfs/dbraw/zinc/82/38/50/563823850.db2.gz IRCRDPYOIQJGBM-JTQLQIEISA-N -1 3 375.288 2.803 20 30 GFEDHM C=CC[C@H]1N(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CCCC1(C)C ZINC000444871598 563838879 /nfs/dbraw/zinc/83/88/79/563838879.db2.gz FOIKYIOOUAFNKC-CQSZACIVSA-N -1 3 385.555 2.933 20 30 GFEDHM CSCc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000445730927 563853165 /nfs/dbraw/zinc/85/31/65/563853165.db2.gz FTPWMDHHKAUHRO-UHFFFAOYSA-N -1 3 377.447 2.808 20 30 GFEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000416630746 563855720 /nfs/dbraw/zinc/85/57/20/563855720.db2.gz ITNAITYHHIRRRA-INIZCTEOSA-N -1 3 378.519 2.850 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)c(C(F)(F)F)c1 ZINC000472696163 564231190 /nfs/dbraw/zinc/23/11/90/564231190.db2.gz DLZLYLPSUJSZBC-LBPRGKRZSA-N -1 3 376.381 2.650 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000508066459 564251711 /nfs/dbraw/zinc/25/17/11/564251711.db2.gz BUEYWXDKIQHFPU-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM COc1ccc(Br)c(S(=O)(=O)[N-][C@](C)(C#N)CCSC)c1 ZINC000508068129 564251772 /nfs/dbraw/zinc/25/17/72/564251772.db2.gz LURPYCLKMMJYJW-ZDUSSCGKSA-N -1 3 393.328 2.771 20 30 GFEDHM C=CCCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000474684267 564285955 /nfs/dbraw/zinc/28/59/55/564285955.db2.gz BINDYLCJNRZDGX-GFCCVEGCSA-N -1 3 378.416 2.845 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000542691396 564321238 /nfs/dbraw/zinc/32/12/38/564321238.db2.gz URPHKTXWFICFGK-HNNXBMFYSA-N -1 3 386.807 2.643 20 30 GFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000510501805 564335976 /nfs/dbraw/zinc/33/59/76/564335976.db2.gz LPUYVWDHHZPPEV-UHFFFAOYSA-N -1 3 383.189 2.942 20 30 GFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000546759531 564466823 /nfs/dbraw/zinc/46/68/23/564466823.db2.gz FOLBYIDRFDKCQN-NSHDSACASA-N -1 3 387.299 2.967 20 30 GFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1nccs1 ZINC000553857624 564740690 /nfs/dbraw/zinc/74/06/90/564740690.db2.gz YOZCBVXPTPDIJZ-VIFPVBQESA-N -1 3 386.296 2.859 20 30 GFEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cccc([O-])c1Br ZINC000459343441 564741141 /nfs/dbraw/zinc/74/11/41/564741141.db2.gz HKBLQVGCMHDJRR-GFCCVEGCSA-N -1 3 388.269 2.527 20 30 GFEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000553885212 564743539 /nfs/dbraw/zinc/74/35/39/564743539.db2.gz AVSQWJOELSWYLE-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)[C@H]1OCCc2sccc21 ZINC000490548303 564776863 /nfs/dbraw/zinc/77/68/63/564776863.db2.gz MRRWQCQOECJFJQ-PIGZYNQJSA-N -1 3 380.466 2.881 20 30 GFEDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000528546434 564792927 /nfs/dbraw/zinc/79/29/27/564792927.db2.gz KYTDTQQSCKDETG-MRXNPFEDSA-N -1 3 399.303 2.841 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000533555073 564966009 /nfs/dbraw/zinc/96/60/09/564966009.db2.gz UKARMINHHJMOLL-UHFFFAOYSA-N -1 3 377.447 2.885 20 30 GFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000503310256 565017614 /nfs/dbraw/zinc/01/76/14/565017614.db2.gz LYAAVTXECBAREY-CQSZACIVSA-N -1 3 399.259 2.755 20 30 GFEDHM Cc1cc(=NC(=O)c2[n-]nc(-c3ccccc3)c2Br)[nH]n1CCC#N ZINC000504371499 565038787 /nfs/dbraw/zinc/03/87/87/565038787.db2.gz NRJZNEUWMCUUQW-UHFFFAOYSA-N -1 3 399.252 2.932 20 30 GFEDHM Cc1cc(=NC(=O)c2n[n-]c(-c3ccccc3)c2Br)[nH]n1CCC#N ZINC000504371499 565038791 /nfs/dbraw/zinc/03/87/91/565038791.db2.gz NRJZNEUWMCUUQW-UHFFFAOYSA-N -1 3 399.252 2.932 20 30 GFEDHM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000537180911 565054502 /nfs/dbraw/zinc/05/45/02/565054502.db2.gz BKMBQCJLACQVLQ-BIGNPOOSSA-N -1 3 376.400 2.915 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccn1 ZINC000589122572 565150714 /nfs/dbraw/zinc/15/07/14/565150714.db2.gz UIBAGGVRLLKMCN-VIFPVBQESA-N -1 3 384.230 2.894 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000593278797 565324062 /nfs/dbraw/zinc/32/40/62/565324062.db2.gz AAQZVJFKTDPRRO-ZDUSSCGKSA-N -1 3 388.312 2.634 20 30 GFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)N1CCc2ccccc2C1 ZINC000593531561 565337765 /nfs/dbraw/zinc/33/77/65/565337765.db2.gz PLNROUBIHWUEJR-INIZCTEOSA-N -1 3 375.519 2.735 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000593536657 565339175 /nfs/dbraw/zinc/33/91/75/565339175.db2.gz BNUDQUPRZVHRAU-LBPRGKRZSA-N -1 3 375.475 2.786 20 30 GFEDHM COc1ccc(Cl)cc1N1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593539899 565339452 /nfs/dbraw/zinc/33/94/52/565339452.db2.gz IGOPXJYTGHGGOS-GFCCVEGCSA-N -1 3 397.909 2.839 20 30 GFEDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619752728 565359036 /nfs/dbraw/zinc/35/90/36/565359036.db2.gz QCXNKLPFAPAHHR-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1CCCCO1 ZINC000594488455 565395970 /nfs/dbraw/zinc/39/59/70/565395970.db2.gz RIHHEMKDWRMGBK-ZIAGYGMSSA-N -1 3 387.299 2.947 20 30 GFEDHM COCC[C@@]1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCOC1 ZINC000594768779 565417457 /nfs/dbraw/zinc/41/74/57/565417457.db2.gz BSOGMGRNOCJUMB-QGZVFWFLSA-N -1 3 380.491 2.555 20 30 GFEDHM CC1CCC(O)(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000595409148 565474908 /nfs/dbraw/zinc/47/49/08/565474908.db2.gz ARODTOXIQLWIAH-UHFFFAOYSA-N -1 3 387.299 2.540 20 30 GFEDHM C=CCCSCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000596819628 565536878 /nfs/dbraw/zinc/53/68/78/565536878.db2.gz SPZNCDVZSGPKLB-UHFFFAOYSA-N -1 3 387.502 2.697 20 30 GFEDHM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OCC ZINC000599367557 565672109 /nfs/dbraw/zinc/67/21/09/565672109.db2.gz IYRJOJKLPHGMTC-ZDUSSCGKSA-N -1 3 375.288 2.804 20 30 GFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1NC(C)=O ZINC000610676092 566092944 /nfs/dbraw/zinc/09/29/44/566092944.db2.gz WJBNAPHOYGQKAW-UHFFFAOYSA-N -1 3 379.825 2.979 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2Br)s1 ZINC000611181713 566119295 /nfs/dbraw/zinc/11/92/95/566119295.db2.gz HFBAYFXNSXPSIH-UHFFFAOYSA-N -1 3 386.296 2.902 20 30 GFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000611292240 566125396 /nfs/dbraw/zinc/12/53/96/566125396.db2.gz BPCIDJJKHZQEFW-CYBMUJFWSA-N -1 3 385.555 2.669 20 30 GFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000737677020 598824993 /nfs/dbraw/zinc/82/49/93/598824993.db2.gz YPJFTBVTKIYKSQ-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000737677020 598824995 /nfs/dbraw/zinc/82/49/95/598824995.db2.gz YPJFTBVTKIYKSQ-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1Br ZINC000737673967 598826061 /nfs/dbraw/zinc/82/60/61/598826061.db2.gz FLRYRHMSAXIXCG-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1Br ZINC000737673967 598826063 /nfs/dbraw/zinc/82/60/63/598826063.db2.gz FLRYRHMSAXIXCG-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000737676028 598826315 /nfs/dbraw/zinc/82/63/15/598826315.db2.gz TZNWIQJYRGIEHM-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000737676028 598826317 /nfs/dbraw/zinc/82/63/17/598826317.db2.gz TZNWIQJYRGIEHM-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736039450 598887876 /nfs/dbraw/zinc/88/78/76/598887876.db2.gz JMMBOMMCPRETAT-ATWMFIQVSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736039450 598887877 /nfs/dbraw/zinc/88/78/77/598887877.db2.gz JMMBOMMCPRETAT-ATWMFIQVSA-N -1 3 375.388 2.762 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1-c1nnn[n-]1 ZINC000737718070 598918923 /nfs/dbraw/zinc/91/89/23/598918923.db2.gz DVQQATBJRZKXEY-UHFFFAOYSA-N -1 3 396.794 2.805 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1-c1nn[n-]n1 ZINC000737718070 598918925 /nfs/dbraw/zinc/91/89/25/598918925.db2.gz DVQQATBJRZKXEY-UHFFFAOYSA-N -1 3 396.794 2.805 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1-c1nnn[n-]1 ZINC000737715832 598927302 /nfs/dbraw/zinc/92/73/02/598927302.db2.gz FINLPROMDJVACC-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1-c1nn[n-]n1 ZINC000737715832 598927303 /nfs/dbraw/zinc/92/73/03/598927303.db2.gz FINLPROMDJVACC-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1-c1nnn[n-]1 ZINC000737719087 598928587 /nfs/dbraw/zinc/92/85/87/598928587.db2.gz OTDNVYQBQQLVRD-UHFFFAOYSA-N -1 3 391.338 2.998 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1-c1nn[n-]n1 ZINC000737719087 598928588 /nfs/dbraw/zinc/92/85/88/598928588.db2.gz OTDNVYQBQQLVRD-UHFFFAOYSA-N -1 3 391.338 2.998 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC(CN=NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819933537 607253599 /nfs/dbraw/zinc/25/35/99/607253599.db2.gz VKUKVGONLQQOTR-UHFFFAOYSA-N -1 3 385.472 2.589 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC(CN=NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819933537 607253600 /nfs/dbraw/zinc/25/36/00/607253600.db2.gz VKUKVGONLQQOTR-UHFFFAOYSA-N -1 3 385.472 2.589 20 30 GFEDHM CCOc1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)nn1CC(C)C ZINC000821390468 607253976 /nfs/dbraw/zinc/25/39/76/607253976.db2.gz YAQISLYZAZLKNU-UHFFFAOYSA-N -1 3 382.472 2.550 20 30 GFEDHM CCOc1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)nn1CC(C)C ZINC000821390468 607253977 /nfs/dbraw/zinc/25/39/77/607253977.db2.gz YAQISLYZAZLKNU-UHFFFAOYSA-N -1 3 382.472 2.550 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736417772 599026323 /nfs/dbraw/zinc/02/63/23/599026323.db2.gz VVTKVLOQMUIXRS-KRWDZBQOSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736417772 599026325 /nfs/dbraw/zinc/02/63/25/599026325.db2.gz VVTKVLOQMUIXRS-KRWDZBQOSA-N -1 3 376.420 2.868 20 30 GFEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccccc2C)cc1-c1nnn[n-]1 ZINC000737082198 599126302 /nfs/dbraw/zinc/12/63/02/599126302.db2.gz FDFWHUYAAIJTLO-UHFFFAOYSA-N -1 3 392.448 2.613 20 30 GFEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccccc2C)cc1-c1nn[n-]n1 ZINC000737082198 599126305 /nfs/dbraw/zinc/12/63/05/599126305.db2.gz FDFWHUYAAIJTLO-UHFFFAOYSA-N -1 3 392.448 2.613 20 30 GFEDHM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736465098 599151428 /nfs/dbraw/zinc/15/14/28/599151428.db2.gz AEINAADOKFNAJT-MRXNPFEDSA-N -1 3 389.419 2.565 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3)cc1-c1nnn[n-]1 ZINC000737082468 599155944 /nfs/dbraw/zinc/15/59/44/599155944.db2.gz VPIQAVFXMJQEEW-FARCUNLSSA-N -1 3 375.388 2.656 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3)cc1-c1nn[n-]n1 ZINC000737082468 599155947 /nfs/dbraw/zinc/15/59/47/599155947.db2.gz VPIQAVFXMJQEEW-FARCUNLSSA-N -1 3 375.388 2.656 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820031587 599170750 /nfs/dbraw/zinc/17/07/50/599170750.db2.gz GHKDILVVLKSBKS-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820031587 599170751 /nfs/dbraw/zinc/17/07/51/599170751.db2.gz GHKDILVVLKSBKS-GOSISDBHSA-N -1 3 394.410 2.597 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000735418876 599184140 /nfs/dbraw/zinc/18/41/40/599184140.db2.gz KYHMSAPXXFOSPL-AWEZNQCLSA-N -1 3 393.495 2.610 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000735418876 599184143 /nfs/dbraw/zinc/18/41/43/599184143.db2.gz KYHMSAPXXFOSPL-AWEZNQCLSA-N -1 3 393.495 2.610 20 30 GFEDHM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819751081 599256525 /nfs/dbraw/zinc/25/65/25/599256525.db2.gz OSRXXJODTKTFNF-ZDUSSCGKSA-N -1 3 391.435 2.665 20 30 GFEDHM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819751081 599256526 /nfs/dbraw/zinc/25/65/26/599256526.db2.gz OSRXXJODTKTFNF-ZDUSSCGKSA-N -1 3 391.435 2.665 20 30 GFEDHM N#CCc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000822814249 607298401 /nfs/dbraw/zinc/29/84/01/607298401.db2.gz DCIRLRMYIBTPKB-UHFFFAOYSA-N -1 3 389.419 2.680 20 30 GFEDHM N#CCc1ccc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000822814249 607298402 /nfs/dbraw/zinc/29/84/02/607298402.db2.gz DCIRLRMYIBTPKB-UHFFFAOYSA-N -1 3 389.419 2.680 20 30 GFEDHM N#Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737715593 598255949 /nfs/dbraw/zinc/25/59/49/598255949.db2.gz BSUQLQKVFADNIB-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM N#Cc1ccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737715593 598255951 /nfs/dbraw/zinc/25/59/51/598255951.db2.gz BSUQLQKVFADNIB-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736816989 598277936 /nfs/dbraw/zinc/27/79/36/598277936.db2.gz SEMNEBSJEGUUDB-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736816989 598277937 /nfs/dbraw/zinc/27/79/37/598277937.db2.gz SEMNEBSJEGUUDB-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM N#Cc1cccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000737723602 598308948 /nfs/dbraw/zinc/30/89/48/598308948.db2.gz YKTVIVNLBBHCBK-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM N#Cc1cccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000737723602 598308951 /nfs/dbraw/zinc/30/89/51/598308951.db2.gz YKTVIVNLBBHCBK-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000736171517 598382560 /nfs/dbraw/zinc/38/25/60/598382560.db2.gz WUEJDCYDWVDMFU-MEDUHNTESA-N -1 3 382.811 2.668 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735648972 598535381 /nfs/dbraw/zinc/53/53/81/598535381.db2.gz XACPAHLBRXRKTM-SFHVURJKSA-N -1 3 390.447 2.924 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735648972 598535382 /nfs/dbraw/zinc/53/53/82/598535382.db2.gz XACPAHLBRXRKTM-SFHVURJKSA-N -1 3 390.447 2.924 20 30 GFEDHM C=CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735416700 598542951 /nfs/dbraw/zinc/54/29/51/598542951.db2.gz OZMMWPLKXJMXMJ-UHFFFAOYSA-N -1 3 379.420 2.977 20 30 GFEDHM C=CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735416700 598542952 /nfs/dbraw/zinc/54/29/52/598542952.db2.gz OZMMWPLKXJMXMJ-UHFFFAOYSA-N -1 3 379.420 2.977 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737717792 598576378 /nfs/dbraw/zinc/57/63/78/598576378.db2.gz IWAIQRKXVQCMSS-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737717792 598576380 /nfs/dbraw/zinc/57/63/80/598576380.db2.gz IWAIQRKXVQCMSS-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM C=CCSCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735436616 598611169 /nfs/dbraw/zinc/61/11/69/598611169.db2.gz PMFHODJVRQCRSG-UHFFFAOYSA-N -1 3 382.493 2.923 20 30 GFEDHM CCOc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1O ZINC000736627002 598638801 /nfs/dbraw/zinc/63/88/01/598638801.db2.gz WGFYCTYIJNAVBA-VQHVLOKHSA-N -1 3 379.420 2.923 20 30 GFEDHM CCOc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1O ZINC000736627002 598638803 /nfs/dbraw/zinc/63/88/03/598638803.db2.gz WGFYCTYIJNAVBA-VQHVLOKHSA-N -1 3 379.420 2.923 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000735420241 598655470 /nfs/dbraw/zinc/65/54/70/598655470.db2.gz NMHUHDMXOJFSNL-UHFFFAOYSA-N -1 3 388.431 2.526 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000735420241 598655471 /nfs/dbraw/zinc/65/54/71/598655471.db2.gz NMHUHDMXOJFSNL-UHFFFAOYSA-N -1 3 388.431 2.526 20 30 GFEDHM N#Cc1cc(F)ccc1CN1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737703236 598680852 /nfs/dbraw/zinc/68/08/52/598680852.db2.gz AVBQEPUQFQDRMI-UHFFFAOYSA-N -1 3 377.427 2.590 20 30 GFEDHM Cc1cc(C)c(C#N)c(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737239375 598756337 /nfs/dbraw/zinc/75/63/37/598756337.db2.gz CRQPNYVALSILAH-UHFFFAOYSA-N -1 3 375.436 2.798 20 30 GFEDHM C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736159560 598758829 /nfs/dbraw/zinc/75/88/29/598758829.db2.gz WMKPFRBOJYTPTA-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736159560 598758830 /nfs/dbraw/zinc/75/88/30/598758830.db2.gz WMKPFRBOJYTPTA-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM C=CCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735438092 598821349 /nfs/dbraw/zinc/82/13/49/598821349.db2.gz XCERVQUSDFNLKT-UHFFFAOYSA-N -1 3 379.420 2.895 20 30 GFEDHM C=CCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735438092 598821350 /nfs/dbraw/zinc/82/13/50/598821350.db2.gz XCERVQUSDFNLKT-UHFFFAOYSA-N -1 3 379.420 2.895 20 30 GFEDHM C[C@@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736189730 599327886 /nfs/dbraw/zinc/32/78/86/599327886.db2.gz QSJZVIRNWVCJQG-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736189730 599327889 /nfs/dbraw/zinc/32/78/89/599327889.db2.gz QSJZVIRNWVCJQG-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM Cc1ccc(C)c(S(=O)(=O)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000822232275 599331492 /nfs/dbraw/zinc/33/14/92/599331492.db2.gz ZJRPNIBCLLONAN-UHFFFAOYSA-N -1 3 396.476 2.502 20 30 GFEDHM Cc1ccc(C)c(S(=O)(=O)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000822232275 599331495 /nfs/dbraw/zinc/33/14/95/599331495.db2.gz ZJRPNIBCLLONAN-UHFFFAOYSA-N -1 3 396.476 2.502 20 30 GFEDHM C=CCN(Cc1cccs1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819745479 599451154 /nfs/dbraw/zinc/45/11/54/599451154.db2.gz FUXFMNRJHWHQDV-UHFFFAOYSA-N -1 3 384.465 2.705 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccn(C(C)C)n1 ZINC000735420769 599613980 /nfs/dbraw/zinc/61/39/80/599613980.db2.gz TXQNAQMUMRNGIL-UHFFFAOYSA-N -1 3 380.456 2.542 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccn(C(C)C)n1 ZINC000735420769 599613982 /nfs/dbraw/zinc/61/39/82/599613982.db2.gz TXQNAQMUMRNGIL-UHFFFAOYSA-N -1 3 380.456 2.542 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000822829702 599632244 /nfs/dbraw/zinc/63/22/44/599632244.db2.gz FDECAFZIAUWFOC-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CCc1cccn1C ZINC000819744152 599677863 /nfs/dbraw/zinc/67/78/63/599677863.db2.gz YAPKGVWBOWQIAG-MRXNPFEDSA-N -1 3 393.495 2.924 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CCc1cccn1C ZINC000819744152 599677864 /nfs/dbraw/zinc/67/78/64/599677864.db2.gz YAPKGVWBOWQIAG-MRXNPFEDSA-N -1 3 393.495 2.924 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(-c2ccccn2)no1 ZINC000819745558 599698246 /nfs/dbraw/zinc/69/82/46/599698246.db2.gz JQIWJLMSTKYHEJ-UHFFFAOYSA-N -1 3 387.403 2.745 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(-c2ccccn2)no1 ZINC000819745558 599698247 /nfs/dbraw/zinc/69/82/47/599698247.db2.gz JQIWJLMSTKYHEJ-UHFFFAOYSA-N -1 3 387.403 2.745 20 30 GFEDHM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822214901 607463110 /nfs/dbraw/zinc/46/31/10/607463110.db2.gz COFBBJXUBGKSMS-UHFFFAOYSA-N -1 3 380.412 2.744 20 30 GFEDHM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822214901 607463111 /nfs/dbraw/zinc/46/31/11/607463111.db2.gz COFBBJXUBGKSMS-UHFFFAOYSA-N -1 3 380.412 2.744 20 30 GFEDHM N#Cc1c(NC(=O)CCN2CCSC[C@H]2CC(=O)[O-])sc2c1CCCC2 ZINC000833067967 601016794 /nfs/dbraw/zinc/01/67/94/601016794.db2.gz KJVYIGBOFRFPHD-GFCCVEGCSA-N -1 3 393.534 2.719 20 30 GFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000833073530 601313149 /nfs/dbraw/zinc/31/31/49/601313149.db2.gz DLUKSBDIJBKVIS-IBGZPJMESA-N -1 3 378.432 2.970 20 30 GFEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384511 607523250 /nfs/dbraw/zinc/52/32/50/607523250.db2.gz YOLLDMYVTPPGHT-UHFFFAOYSA-N -1 3 397.782 2.871 20 30 GFEDHM N#Cc1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384511 607523251 /nfs/dbraw/zinc/52/32/51/607523251.db2.gz YOLLDMYVTPPGHT-UHFFFAOYSA-N -1 3 397.782 2.871 20 30 GFEDHM N#Cc1ccccc1/C=C\C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833075005 601732988 /nfs/dbraw/zinc/73/29/88/601732988.db2.gz IUDRZCNDZNFXKY-GBJNBNQZSA-N -1 3 389.455 2.807 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823909701 607544936 /nfs/dbraw/zinc/54/49/36/607544936.db2.gz NXMPAIWENIUBEX-UHFFFAOYSA-N -1 3 399.476 2.561 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823909701 607544938 /nfs/dbraw/zinc/54/49/38/607544938.db2.gz NXMPAIWENIUBEX-UHFFFAOYSA-N -1 3 399.476 2.561 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825106828 607608677 /nfs/dbraw/zinc/60/86/77/607608677.db2.gz JHAPWOWFOHJNCO-UHFFFAOYSA-N -1 3 396.904 2.861 20 30 GFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC(NC(=O)[O-])CC1 ZINC000828086458 603834587 /nfs/dbraw/zinc/83/45/87/603834587.db2.gz UYNPKIZRCCLDRH-JXQTWKCFSA-N -1 3 386.477 2.983 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000826245761 607678641 /nfs/dbraw/zinc/67/86/41/607678641.db2.gz HGKRKIVXRSGUFZ-HNNXBMFYSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000826245761 607678642 /nfs/dbraw/zinc/67/86/42/607678642.db2.gz HGKRKIVXRSGUFZ-HNNXBMFYSA-N -1 3 397.236 2.932 20 30 GFEDHM N#C[C@@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000822802233 606169729 /nfs/dbraw/zinc/16/97/29/606169729.db2.gz XPPSOPDFNNFALJ-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000821693760 606372786 /nfs/dbraw/zinc/37/27/86/606372786.db2.gz MWOAZIKKIWFFNV-UHFFFAOYSA-N -1 3 398.810 2.669 20 30 GFEDHM COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000821693760 606372787 /nfs/dbraw/zinc/37/27/87/606372787.db2.gz MWOAZIKKIWFFNV-UHFFFAOYSA-N -1 3 398.810 2.669 20 30 GFEDHM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000821620792 606386784 /nfs/dbraw/zinc/38/67/84/606386784.db2.gz VYLYVCIECOQKRI-TWTKIJFOSA-N -1 3 394.485 2.843 20 30 GFEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819729851 606836952 /nfs/dbraw/zinc/83/69/52/606836952.db2.gz NSDBCFULOAFUIQ-CYBMUJFWSA-N -1 3 392.419 2.597 20 30 GFEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819729851 606836954 /nfs/dbraw/zinc/83/69/54/606836954.db2.gz NSDBCFULOAFUIQ-CYBMUJFWSA-N -1 3 392.419 2.597 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822830222 607242929 /nfs/dbraw/zinc/24/29/29/607242929.db2.gz XPTIPUJWUGFAAB-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822830222 607242930 /nfs/dbraw/zinc/24/29/30/607242930.db2.gz XPTIPUJWUGFAAB-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(OC[C@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826385955 607843077 /nfs/dbraw/zinc/84/30/77/607843077.db2.gz JCCDNCCFTGKEKT-ZDUSSCGKSA-N -1 3 387.852 2.924 20 30 GFEDHM N#Cc1ccc(OC[C@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826385955 607843078 /nfs/dbraw/zinc/84/30/78/607843078.db2.gz JCCDNCCFTGKEKT-ZDUSSCGKSA-N -1 3 387.852 2.924 20 30 GFEDHM C=CCn1c(SCc2cccc(C(=O)OC)c2-c2nnn[n-]2)nnc1C1CC1 ZINC000823937283 607892864 /nfs/dbraw/zinc/89/28/64/607892864.db2.gz PXYLTUONXJJZKB-UHFFFAOYSA-N -1 3 397.464 2.601 20 30 GFEDHM C=CCn1c(SCc2cccc(C(=O)OC)c2-c2nn[n-]n2)nnc1C1CC1 ZINC000823937283 607892865 /nfs/dbraw/zinc/89/28/65/607892865.db2.gz PXYLTUONXJJZKB-UHFFFAOYSA-N -1 3 397.464 2.601 20 30 GFEDHM C=C[C@@H](CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883204 607980769 /nfs/dbraw/zinc/98/07/69/607980769.db2.gz KSADPCFFLOWOLC-AWEZNQCLSA-N -1 3 377.404 2.708 20 30 GFEDHM C=C[C@@H](CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883204 607980770 /nfs/dbraw/zinc/98/07/70/607980770.db2.gz KSADPCFFLOWOLC-AWEZNQCLSA-N -1 3 377.404 2.708 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1-c1nnn[n-]1 ZINC000824329437 608025539 /nfs/dbraw/zinc/02/55/39/608025539.db2.gz QEPRMKRKTPQYGP-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1-c1nn[n-]n1 ZINC000824329437 608025540 /nfs/dbraw/zinc/02/55/40/608025540.db2.gz QEPRMKRKTPQYGP-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826387355 608163792 /nfs/dbraw/zinc/16/37/92/608163792.db2.gz RABMRRYLOWIUOV-AATRIKPKSA-N -1 3 395.766 2.952 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826387355 608163793 /nfs/dbraw/zinc/16/37/93/608163793.db2.gz RABMRRYLOWIUOV-AATRIKPKSA-N -1 3 395.766 2.952 20 30 GFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000825793014 608176263 /nfs/dbraw/zinc/17/62/63/608176263.db2.gz IZYUAEOOYQZZMB-UHFFFAOYSA-N -1 3 394.345 2.638 20 30 GFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000825793014 608176265 /nfs/dbraw/zinc/17/62/65/608176265.db2.gz IZYUAEOOYQZZMB-UHFFFAOYSA-N -1 3 394.345 2.638 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](O)c1cccc(F)c1 ZINC000823910127 608273514 /nfs/dbraw/zinc/27/35/14/608273514.db2.gz XTQXYMVXXAAWMF-SFHVURJKSA-N -1 3 381.411 2.644 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](O)c1cccc(F)c1 ZINC000823910127 608273516 /nfs/dbraw/zinc/27/35/16/608273516.db2.gz XTQXYMVXXAAWMF-SFHVURJKSA-N -1 3 381.411 2.644 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(Cl)n(C)nc1CC ZINC000823914792 608493636 /nfs/dbraw/zinc/49/36/36/608493636.db2.gz NRVAKSPSAOEZQA-UHFFFAOYSA-N -1 3 385.859 2.644 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(Cl)n(C)nc1CC ZINC000823914792 608493637 /nfs/dbraw/zinc/49/36/37/608493637.db2.gz NRVAKSPSAOEZQA-UHFFFAOYSA-N -1 3 385.859 2.644 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000824228561 608497324 /nfs/dbraw/zinc/49/73/24/608497324.db2.gz JPNBYZLVDJECAU-OAHLLOKOSA-N -1 3 380.408 2.707 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000824228561 608497325 /nfs/dbraw/zinc/49/73/25/608497325.db2.gz JPNBYZLVDJECAU-OAHLLOKOSA-N -1 3 380.408 2.707 20 30 GFEDHM Cc1ccc(Cl)c2c1NC(=O)C2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826289237 608534983 /nfs/dbraw/zinc/53/49/83/608534983.db2.gz RGJOGXHXJHKMHW-UHFFFAOYSA-N -1 3 389.206 2.645 20 30 GFEDHM Cc1ccc(Cl)c2c1NC(=O)C2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826289237 608534985 /nfs/dbraw/zinc/53/49/85/608534985.db2.gz RGJOGXHXJHKMHW-UHFFFAOYSA-N -1 3 389.206 2.645 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000823914163 608549955 /nfs/dbraw/zinc/54/99/55/608549955.db2.gz BZDJARTZYOBWCL-UHFFFAOYSA-N -1 3 378.436 2.919 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000823914163 608549957 /nfs/dbraw/zinc/54/99/57/608549957.db2.gz BZDJARTZYOBWCL-UHFFFAOYSA-N -1 3 378.436 2.919 20 30 GFEDHM C=CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1ccc(OC)cc1 ZINC000823909366 608613989 /nfs/dbraw/zinc/61/39/89/608613989.db2.gz AJZCLTBOGZMMAG-UHFFFAOYSA-N -1 3 375.436 2.711 20 30 GFEDHM C=CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccc(OC)cc1 ZINC000823909366 608613991 /nfs/dbraw/zinc/61/39/91/608613991.db2.gz AJZCLTBOGZMMAG-UHFFFAOYSA-N -1 3 375.436 2.711 20 30 GFEDHM C#C[C@H](Cc1ccccc1)OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823838450 609150577 /nfs/dbraw/zinc/15/05/77/609150577.db2.gz QMRUYMHUUCPLOJ-LJQANCHMSA-N -1 3 398.426 2.762 20 30 GFEDHM C#C[C@H](Cc1ccccc1)OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823838450 609150578 /nfs/dbraw/zinc/15/05/78/609150578.db2.gz QMRUYMHUUCPLOJ-LJQANCHMSA-N -1 3 398.426 2.762 20 30 GFEDHM COc1cccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826216727 609276316 /nfs/dbraw/zinc/27/63/16/609276316.db2.gz LDCKDCQFGCSHSB-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1cccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826216727 609276318 /nfs/dbraw/zinc/27/63/18/609276318.db2.gz LDCKDCQFGCSHSB-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM O=C(C#Cc1ccccc1)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826396532 609338913 /nfs/dbraw/zinc/33/89/13/609338913.db2.gz CDUJXGPXOYMORK-UHFFFAOYSA-N -1 3 383.205 2.724 20 30 GFEDHM O=C(C#Cc1ccccc1)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826396532 609338914 /nfs/dbraw/zinc/33/89/14/609338914.db2.gz CDUJXGPXOYMORK-UHFFFAOYSA-N -1 3 383.205 2.724 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000823975487 609405753 /nfs/dbraw/zinc/40/57/53/609405753.db2.gz YBCJADLVWOVZTL-OVCLIPMQSA-N -1 3 377.379 2.634 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000823975487 609405755 /nfs/dbraw/zinc/40/57/55/609405755.db2.gz YBCJADLVWOVZTL-OVCLIPMQSA-N -1 3 377.379 2.634 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1OC(C)=O ZINC000826179123 609471113 /nfs/dbraw/zinc/47/11/13/609471113.db2.gz ZZWDVZJQUFPLMN-UHFFFAOYSA-N -1 3 386.799 2.900 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1OC(C)=O ZINC000826179123 609471116 /nfs/dbraw/zinc/47/11/16/609471116.db2.gz ZZWDVZJQUFPLMN-UHFFFAOYSA-N -1 3 386.799 2.900 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257746 609589689 /nfs/dbraw/zinc/58/96/89/609589689.db2.gz NYRZOPSNGYPDET-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257746 609589691 /nfs/dbraw/zinc/58/96/91/609589691.db2.gz NYRZOPSNGYPDET-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM O=[N+]([O-])c1cc(Br)ccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000823635041 660377221 /nfs/dbraw/zinc/37/72/21/660377221.db2.gz QAAKHBUJESYPCZ-UHFFFAOYSA-N -1 3 388.185 2.983 20 30 GFEDHM O=[N+]([O-])c1cc(Br)ccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000823635041 660377223 /nfs/dbraw/zinc/37/72/23/660377223.db2.gz QAAKHBUJESYPCZ-UHFFFAOYSA-N -1 3 388.185 2.983 20 30 GFEDHM C#C[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Br)cc1 ZINC000833236065 660806567 /nfs/dbraw/zinc/80/65/67/660806567.db2.gz OVRHRPQXNWBEPF-MRXNPFEDSA-N -1 3 388.265 2.985 20 30 GFEDHM C=C(Br)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000068934120 654969732 /nfs/dbraw/zinc/96/97/32/654969732.db2.gz MZXRPXNQAHVSFV-UHFFFAOYSA-N -1 3 393.278 2.541 20 30 GFEDHM C#CCn1ccc(CN(CCOC)Cc2cccc([O-])c2Br)n1 ZINC000839065340 661070700 /nfs/dbraw/zinc/07/07/00/661070700.db2.gz LIOAOKIFJLGJIO-UHFFFAOYSA-N -1 3 378.270 2.633 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000574792148 655430761 /nfs/dbraw/zinc/43/07/61/655430761.db2.gz VAQNBGAFHGJAOZ-MFKMUULPSA-N -1 3 383.363 2.984 20 30 GFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363852 655574874 /nfs/dbraw/zinc/57/48/74/655574874.db2.gz FTSJASDRTUCOLU-HWPZZCPQSA-N -1 3 383.242 2.754 20 30 GFEDHM NC(=O)c1csc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)c1 ZINC000755886599 655890493 /nfs/dbraw/zinc/89/04/93/655890493.db2.gz OTYXSNAZYWXNOX-UHFFFAOYSA-N -1 3 375.504 2.902 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC)CC(F)(F)F)ccc1F ZINC000760760912 655991263 /nfs/dbraw/zinc/99/12/63/655991263.db2.gz FFXMWASIXOWGLV-NSHDSACASA-N -1 3 382.379 2.751 20 30 GFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000761945785 656026067 /nfs/dbraw/zinc/02/60/67/656026067.db2.gz ASQXUOVIACCUFF-UHFFFAOYSA-N -1 3 382.265 2.651 20 30 GFEDHM CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000781145136 657044238 /nfs/dbraw/zinc/04/42/38/657044238.db2.gz IYJQYBLPTRVWGQ-SECBINFHSA-N -1 3 377.249 2.893 20 30 GFEDHM C#C[C@@H](CCC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000791740642 658169540 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Cc1nnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)s1 ZINC000050924988 551161843 /nfs/dbraw/zinc/16/18/43/551161843.db2.gz DEOILMSQZLYTLI-UHFFFAOYSA-N -1 3 381.414 2.751 20 30 GFEDHM CCC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)OC ZINC000056036851 551175751 /nfs/dbraw/zinc/17/57/51/551175751.db2.gz KCCXKEFECWUNSV-AWEZNQCLSA-N -1 3 378.372 2.587 20 30 GFEDHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000178504122 552171534 /nfs/dbraw/zinc/17/15/34/552171534.db2.gz JSTASOOOYBYCKM-UHFFFAOYSA-N -1 3 378.837 2.519 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1cccc(Br)n1 ZINC000184429882 552335796 /nfs/dbraw/zinc/33/57/96/552335796.db2.gz PTIRUAUTEPUVBB-UHFFFAOYSA-N -1 3 389.253 2.617 20 30 GFEDHM C=C(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000184850161 552345631 /nfs/dbraw/zinc/34/56/31/552345631.db2.gz PULHHIANKZVZRE-INIZCTEOSA-N -1 3 386.445 2.738 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccccc1 ZINC000185533247 552365081 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C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428228665 563486195 /nfs/dbraw/zinc/48/61/95/563486195.db2.gz LCZFBXQGTISOCS-LLVKDONJSA-N -1 3 380.267 2.625 20 30 GFEDHM Cc1nc([C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c2ccc(Cl)cc2)no1 ZINC000377853198 563488516 /nfs/dbraw/zinc/48/85/16/563488516.db2.gz XYDWFBWWVOKJMW-AWEZNQCLSA-N -1 3 382.873 2.980 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C#N)CSC)c(Cl)cc1Cl ZINC000285120415 563504217 /nfs/dbraw/zinc/50/42/17/563504217.db2.gz PEWIMBNWXHOEFO-CYBMUJFWSA-N -1 3 397.305 2.704 20 30 GFEDHM CN(Cc1ccccc1)C1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCC1 ZINC000386583243 563518914 /nfs/dbraw/zinc/51/89/14/563518914.db2.gz UVFJEOUGFAXHTQ-UHFFFAOYSA-N -1 3 375.519 2.953 20 30 GFEDHM O=C(NC[C@@H]1CCCCN1CCO)c1cc(Br)cc(Cl)c1[O-] ZINC000331353247 563547385 /nfs/dbraw/zinc/54/73/85/563547385.db2.gz ZWWKASHVGYOJMT-NSHDSACASA-N -1 3 391.693 2.960 20 30 GFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409491463 563562721 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CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000416435856 563828701 /nfs/dbraw/zinc/82/87/01/563828701.db2.gz APXAERPJPVPPJR-SECBINFHSA-N -1 3 398.286 2.602 20 30 GFEDHM O=C([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C(=O)NCC(F)F ZINC000444357090 563830150 /nfs/dbraw/zinc/83/01/50/563830150.db2.gz MQGFTXNNVPZOKL-SECBINFHSA-N -1 3 378.219 2.806 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CO)CC1CCCC1 ZINC000416447445 563830303 /nfs/dbraw/zinc/83/03/03/563830303.db2.gz CULAEOVYDMZJHF-CQSZACIVSA-N -1 3 387.299 2.540 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000563430992 564190150 /nfs/dbraw/zinc/19/01/50/564190150.db2.gz CWYBDROOBGHGIM-GFCCVEGCSA-N -1 3 397.291 2.520 20 30 GFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000540321018 564245048 /nfs/dbraw/zinc/24/50/48/564245048.db2.gz LPSTYPUQDUUEBG-VIFPVBQESA-N -1 3 398.706 2.574 20 30 GFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2c(C)csc2C(=O)OC)cc1 ZINC000509605632 564306266 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CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000574661642 564683612 /nfs/dbraw/zinc/68/36/12/564683612.db2.gz UAMPLCKHHRIUOQ-LBPRGKRZSA-N -1 3 389.315 2.644 20 30 GFEDHM COc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)ccc1O ZINC000553839184 564739860 /nfs/dbraw/zinc/73/98/60/564739860.db2.gz RADCBZPBRFNICJ-UHFFFAOYSA-N -1 3 397.250 2.513 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c(Cl)c1OC ZINC000555376548 564791259 /nfs/dbraw/zinc/79/12/59/564791259.db2.gz MMBKJHRXERSICZ-UHFFFAOYSA-N -1 3 386.882 2.811 20 30 GFEDHM CN(CC(C)(C)C#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000497261702 564863936 /nfs/dbraw/zinc/86/39/36/564863936.db2.gz MZVLFNWOIQYIDE-UHFFFAOYSA-N -1 3 392.308 2.670 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CCSCC3)no2)ccc1F ZINC000583544514 564896968 /nfs/dbraw/zinc/89/69/68/564896968.db2.gz ULZYRXONNWCFFQ-UHFFFAOYSA-N -1 3 383.470 2.951 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561466174 564996217 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CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)CC(F)(F)F ZINC000593608098 565345947 /nfs/dbraw/zinc/34/59/47/565345947.db2.gz NVOZXKSTTPEIJN-JTQLQIEISA-N -1 3 378.372 2.602 20 30 GFEDHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)N(C)C)cc1 ZINC000593600879 565346003 /nfs/dbraw/zinc/34/60/03/565346003.db2.gz CCPNIJJMGXBYHQ-CQSZACIVSA-N -1 3 381.548 2.923 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593630933 565350333 /nfs/dbraw/zinc/35/03/33/565350333.db2.gz BSQFOCYPBBYUAX-MRXNPFEDSA-N -1 3 399.310 2.804 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593633033 565350891 /nfs/dbraw/zinc/35/08/91/565350891.db2.gz ZYUUTUWORSBZEV-INIZCTEOSA-N -1 3 399.310 2.804 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000594859183 565430371 /nfs/dbraw/zinc/43/03/71/565430371.db2.gz BSEAMNQUUXRENO-ZBFHGGJFSA-N -1 3 378.885 2.635 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cn1 ZINC000594860060 565431677 /nfs/dbraw/zinc/43/16/77/565431677.db2.gz KILGEBKHEYJYLK-CJNGLKHVSA-N -1 3 378.885 2.635 20 30 GFEDHM CC1CCC(O)(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000595412228 565475145 /nfs/dbraw/zinc/47/51/45/565475145.db2.gz WKRFUBICORDNLG-UHFFFAOYSA-N -1 3 387.299 2.540 20 30 GFEDHM C=CC(C)(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000625328038 565619385 /nfs/dbraw/zinc/61/93/85/565619385.db2.gz OFZMSAPQWMWRIP-UHFFFAOYSA-N -1 3 392.518 2.856 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000608822466 566024701 /nfs/dbraw/zinc/02/47/01/566024701.db2.gz JICCCHVYCWNBEV-LLVKDONJSA-N -1 3 392.308 2.716 20 30 GFEDHM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)nc1C ZINC000610549970 566086538 /nfs/dbraw/zinc/08/65/38/566086538.db2.gz YIPSTOBULYHBST-UHFFFAOYSA-N -1 3 399.881 2.632 20 30 GFEDHM COc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)C#N)cc1Cl ZINC000611619481 566138266 /nfs/dbraw/zinc/13/82/66/566138266.db2.gz CIFOHFLYLTYUCX-UHFFFAOYSA-N -1 3 381.679 2.939 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000737674251 598826011 /nfs/dbraw/zinc/82/60/11/598826011.db2.gz HPGMXOYYHDVQDS-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000737674251 598826012 /nfs/dbraw/zinc/82/60/12/598826012.db2.gz HPGMXOYYHDVQDS-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735388266 598849161 /nfs/dbraw/zinc/84/91/61/598849161.db2.gz VSPVRCOWEUMQJG-UHFFFAOYSA-N -1 3 393.472 2.542 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735388266 598849159 /nfs/dbraw/zinc/84/91/59/598849159.db2.gz VSPVRCOWEUMQJG-UHFFFAOYSA-N -1 3 393.472 2.542 20 30 GFEDHM CCOc1ccccc1OCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736654863 598918329 /nfs/dbraw/zinc/91/83/29/598918329.db2.gz KZUIPRZJBOSOEH-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM CCOc1ccccc1OCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736654863 598918331 /nfs/dbraw/zinc/91/83/31/598918331.db2.gz KZUIPRZJBOSOEH-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737716921 598921906 /nfs/dbraw/zinc/92/19/06/598921906.db2.gz WYLASTYKUHRBMB-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737716921 598921907 /nfs/dbraw/zinc/92/19/07/598921907.db2.gz WYLASTYKUHRBMB-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM COc1ccc(N2CCC(=NNCc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821831972 607254000 /nfs/dbraw/zinc/25/40/00/607254000.db2.gz VESFLFLLHMAIMB-UHFFFAOYSA-N -1 3 377.452 2.621 20 30 GFEDHM COc1ccc(N2CCC(=NNCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821831972 607254001 /nfs/dbraw/zinc/25/40/01/607254001.db2.gz VESFLFLLHMAIMB-UHFFFAOYSA-N -1 3 377.452 2.621 20 30 GFEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735418585 599001168 /nfs/dbraw/zinc/00/11/68/599001168.db2.gz FTAXEVAUXYAFLI-UHFFFAOYSA-N -1 3 383.477 2.595 20 30 GFEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735418585 599001169 /nfs/dbraw/zinc/00/11/69/599001169.db2.gz FTAXEVAUXYAFLI-UHFFFAOYSA-N -1 3 383.477 2.595 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735380983 599094566 /nfs/dbraw/zinc/09/45/66/599094566.db2.gz QCPIXCIPIKZIIZ-UHFFFAOYSA-N -1 3 383.408 2.749 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735380983 599094569 /nfs/dbraw/zinc/09/45/69/599094569.db2.gz QCPIXCIPIKZIIZ-UHFFFAOYSA-N -1 3 383.408 2.749 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)ccc1-c1nnn[n-]1 ZINC000737707746 599194312 /nfs/dbraw/zinc/19/43/12/599194312.db2.gz BMILKQKBDRZXDZ-UHFFFAOYSA-N -1 3 394.826 2.639 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)ccc1-c1nn[n-]n1 ZINC000737707746 599194315 /nfs/dbraw/zinc/19/43/15/599194315.db2.gz BMILKQKBDRZXDZ-UHFFFAOYSA-N -1 3 394.826 2.639 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2cnn(C(C)C)c2n1 ZINC000737236654 599199848 /nfs/dbraw/zinc/19/98/48/599199848.db2.gz PVUNKHATFSNNHC-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2cnn(C(C)C)c2n1 ZINC000737236654 599199850 /nfs/dbraw/zinc/19/98/50/599199850.db2.gz PVUNKHATFSNNHC-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000821569569 607299820 /nfs/dbraw/zinc/29/98/20/607299820.db2.gz OKHJJMODIHJPMP-UHFFFAOYSA-N -1 3 389.419 2.510 20 30 GFEDHM N#CCCn1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)n1 ZINC000737694265 599260675 /nfs/dbraw/zinc/26/06/75/599260675.db2.gz MOGVRUJYTSQNCE-UHFFFAOYSA-N -1 3 384.403 2.896 20 30 GFEDHM N#CCCn1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)n1 ZINC000737694265 599260676 /nfs/dbraw/zinc/26/06/76/599260676.db2.gz MOGVRUJYTSQNCE-UHFFFAOYSA-N -1 3 384.403 2.896 20 30 GFEDHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000821569569 607299821 /nfs/dbraw/zinc/29/98/21/607299821.db2.gz OKHJJMODIHJPMP-UHFFFAOYSA-N -1 3 389.419 2.510 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821417343 599267784 /nfs/dbraw/zinc/26/77/84/599267784.db2.gz LUWUHDBZAJRMIV-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821417343 599267786 /nfs/dbraw/zinc/26/77/86/599267786.db2.gz LUWUHDBZAJRMIV-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736817752 598278118 /nfs/dbraw/zinc/27/81/18/598278118.db2.gz ITAAPFFCFXNCON-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736817752 598278119 /nfs/dbraw/zinc/27/81/19/598278119.db2.gz ITAAPFFCFXNCON-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM CC(C)N(CCC#N)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735858905 598331828 /nfs/dbraw/zinc/33/18/28/598331828.db2.gz KJNHBQIBHHWSSU-UHFFFAOYSA-N -1 3 380.408 2.803 20 30 GFEDHM CC(C)N(CCC#N)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735858905 598331830 /nfs/dbraw/zinc/33/18/30/598331830.db2.gz KJNHBQIBHHWSSU-UHFFFAOYSA-N -1 3 380.408 2.803 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1c(=O)sc2c1CCCC2 ZINC000735425797 598422210 /nfs/dbraw/zinc/42/22/10/598422210.db2.gz HHZQYZHBVPLLFO-UHFFFAOYSA-N -1 3 382.493 2.614 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1c(=O)sc2c1CCCC2 ZINC000735425797 598422211 /nfs/dbraw/zinc/42/22/11/598422211.db2.gz HHZQYZHBVPLLFO-UHFFFAOYSA-N -1 3 382.493 2.614 20 30 GFEDHM C#CCOc1ccccc1OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735387668 598423734 /nfs/dbraw/zinc/42/37/34/598423734.db2.gz DVHBRSKCXYCEKE-UHFFFAOYSA-N -1 3 380.429 2.718 20 30 GFEDHM C#CCOc1ccccc1OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735387668 598423735 /nfs/dbraw/zinc/42/37/35/598423735.db2.gz DVHBRSKCXYCEKE-UHFFFAOYSA-N -1 3 380.429 2.718 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381354 598434182 /nfs/dbraw/zinc/43/41/82/598434182.db2.gz UFTOBCGNQWAXDU-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1c(C)nn(CC)c1C ZINC000735420853 598479554 /nfs/dbraw/zinc/47/95/54/598479554.db2.gz VBMRYYADYYAYHW-UHFFFAOYSA-N -1 3 394.483 2.598 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1c(C)nn(CC)c1C ZINC000735420853 598479556 /nfs/dbraw/zinc/47/95/56/598479556.db2.gz VBMRYYADYYAYHW-UHFFFAOYSA-N -1 3 394.483 2.598 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736185879 598486450 /nfs/dbraw/zinc/48/64/50/598486450.db2.gz WHDAGCNKNNKOPU-GFCCVEGCSA-N -1 3 379.424 2.701 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736185879 598486452 /nfs/dbraw/zinc/48/64/52/598486452.db2.gz WHDAGCNKNNKOPU-GFCCVEGCSA-N -1 3 379.424 2.701 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000737513796 598490336 /nfs/dbraw/zinc/49/03/36/598490336.db2.gz UESXPVHPULNQIK-OAHLLOKOSA-N -1 3 393.451 2.831 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000737513796 598490337 /nfs/dbraw/zinc/49/03/37/598490337.db2.gz UESXPVHPULNQIK-OAHLLOKOSA-N -1 3 393.451 2.831 20 30 GFEDHM C#CCOc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381226 598494233 /nfs/dbraw/zinc/49/42/33/598494233.db2.gz RLSAPOHXPKQYBZ-UHFFFAOYSA-N -1 3 379.445 2.751 20 30 GFEDHM C#CCOc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381226 598494234 /nfs/dbraw/zinc/49/42/34/598494234.db2.gz RLSAPOHXPKQYBZ-UHFFFAOYSA-N -1 3 379.445 2.751 20 30 GFEDHM N#CCCSc1ccccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737693106 598494791 /nfs/dbraw/zinc/49/47/91/598494791.db2.gz CNEAHNGAJYAMOR-UHFFFAOYSA-N -1 3 380.433 2.890 20 30 GFEDHM C[C@@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735507259 598566276 /nfs/dbraw/zinc/56/62/76/598566276.db2.gz ZNZBYKAASXCGCS-VAKHEIKFSA-N -1 3 386.371 2.502 20 30 GFEDHM C[C@@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735507259 598566279 /nfs/dbraw/zinc/56/62/79/598566279.db2.gz ZNZBYKAASXCGCS-VAKHEIKFSA-N -1 3 386.371 2.502 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736170495 598625953 /nfs/dbraw/zinc/62/59/53/598625953.db2.gz PZAYNSLBFHXDTQ-ZDUSSCGKSA-N -1 3 380.383 2.720 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736733864 598655295 /nfs/dbraw/zinc/65/52/95/598655295.db2.gz YHPUPLKKBMTBDQ-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736733864 598655296 /nfs/dbraw/zinc/65/52/96/598655296.db2.gz YHPUPLKKBMTBDQ-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)nc1 ZINC000737719665 598660200 /nfs/dbraw/zinc/66/02/00/598660200.db2.gz UKHGBBBTSPLTSI-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)nc1 ZINC000737719665 598660202 /nfs/dbraw/zinc/66/02/02/598660202.db2.gz UKHGBBBTSPLTSI-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM O=C(NCC#Cc1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738040096 598683732 /nfs/dbraw/zinc/68/37/32/598683732.db2.gz SIBDRWALHHLTSW-UHFFFAOYSA-N -1 3 396.410 2.836 20 30 GFEDHM O=C(NCC#Cc1ccccc1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738040096 598683734 /nfs/dbraw/zinc/68/37/34/598683734.db2.gz SIBDRWALHHLTSW-UHFFFAOYSA-N -1 3 396.410 2.836 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736513598 598684687 /nfs/dbraw/zinc/68/46/87/598684687.db2.gz REIPEYRGZZXXJL-CYBMUJFWSA-N -1 3 377.408 2.676 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736513598 598684689 /nfs/dbraw/zinc/68/46/89/598684689.db2.gz REIPEYRGZZXXJL-CYBMUJFWSA-N -1 3 377.408 2.676 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)nc1 ZINC000735389779 598735657 /nfs/dbraw/zinc/73/56/57/598735657.db2.gz JIQOQKLMXIJZEK-UHFFFAOYSA-N -1 3 383.371 2.683 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735505596 598781458 /nfs/dbraw/zinc/78/14/58/598781458.db2.gz RQNGJOJEJHDKQB-LBPRGKRZSA-N -1 3 378.396 2.677 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735505596 598781459 /nfs/dbraw/zinc/78/14/59/598781459.db2.gz RQNGJOJEJHDKQB-LBPRGKRZSA-N -1 3 378.396 2.677 20 30 GFEDHM C[C@@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)N(C)CCC#N ZINC000736139357 598786640 /nfs/dbraw/zinc/78/66/40/598786640.db2.gz QFHDXBCCTRAIKH-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)N(C)CCC#N ZINC000736139357 598786642 /nfs/dbraw/zinc/78/66/42/598786642.db2.gz QFHDXBCCTRAIKH-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM N#C[C@]1(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCSC1 ZINC000737679270 599568325 /nfs/dbraw/zinc/56/83/25/599568325.db2.gz OPRTZRIAWCJIHH-LJQANCHMSA-N -1 3 391.460 2.739 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nccn1CC(C)C ZINC000819745555 599675269 /nfs/dbraw/zinc/67/52/69/599675269.db2.gz JHUDYAHHLUZDTL-UHFFFAOYSA-N -1 3 394.483 2.617 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nccn1CC(C)C ZINC000819745555 599675270 /nfs/dbraw/zinc/67/52/70/599675270.db2.gz JHUDYAHHLUZDTL-UHFFFAOYSA-N -1 3 394.483 2.617 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCSCC(=O)[O-] ZINC000737886190 599798689 /nfs/dbraw/zinc/79/86/89/599798689.db2.gz LMHUAKXOSPGJGO-SNVBAGLBSA-N -1 3 384.841 2.512 20 30 GFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824034570 607442908 /nfs/dbraw/zinc/44/29/08/607442908.db2.gz LTUAEWYXQRDHRU-IBGZPJMESA-N -1 3 382.374 2.790 20 30 GFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824034570 607442910 /nfs/dbraw/zinc/44/29/10/607442910.db2.gz LTUAEWYXQRDHRU-IBGZPJMESA-N -1 3 382.374 2.790 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000739011630 602379749 /nfs/dbraw/zinc/37/97/49/602379749.db2.gz QHWQDILUJYTXKX-WFASDCNBSA-N -1 3 390.509 2.948 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1ccccc1Cl ZINC000824755890 607600432 /nfs/dbraw/zinc/60/04/32/607600432.db2.gz MQYWDSQMDJRAEA-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1ccccc1Cl ZINC000824755890 607600433 /nfs/dbraw/zinc/60/04/33/607600433.db2.gz MQYWDSQMDJRAEA-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825106475 607608682 /nfs/dbraw/zinc/60/86/82/607608682.db2.gz CUZHLEYLRRLBNY-UHFFFAOYSA-N -1 3 376.486 2.516 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825106475 607608684 /nfs/dbraw/zinc/60/86/84/607608684.db2.gz CUZHLEYLRRLBNY-UHFFFAOYSA-N -1 3 376.486 2.516 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000823861568 607610879 /nfs/dbraw/zinc/61/08/79/607610879.db2.gz NPTNLVPLWIMYNU-UHFFFAOYSA-N -1 3 381.461 2.760 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000823861568 607610882 /nfs/dbraw/zinc/61/08/82/607610882.db2.gz NPTNLVPLWIMYNU-UHFFFAOYSA-N -1 3 381.461 2.760 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823909388 607638092 /nfs/dbraw/zinc/63/80/92/607638092.db2.gz BJPCOPXKQMNLSR-UHFFFAOYSA-N -1 3 384.827 2.752 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823909388 607638093 /nfs/dbraw/zinc/63/80/93/607638093.db2.gz BJPCOPXKQMNLSR-UHFFFAOYSA-N -1 3 384.827 2.752 20 30 GFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000823932184 607653635 /nfs/dbraw/zinc/65/36/35/607653635.db2.gz RNAGPVDZACHGEC-UHFFFAOYSA-N -1 3 392.824 2.853 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000829442951 604221842 /nfs/dbraw/zinc/22/18/42/604221842.db2.gz ULGZTCMLRHFSDL-DMDPSCGWSA-N -1 3 393.827 2.822 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)c1 ZINC000826386453 607724279 /nfs/dbraw/zinc/72/42/79/607724279.db2.gz GARMNLFIILGDHU-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)c1 ZINC000826386453 607724281 /nfs/dbraw/zinc/72/42/81/607724281.db2.gz GARMNLFIILGDHU-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822836996 606112745 /nfs/dbraw/zinc/11/27/45/606112745.db2.gz DOPCCEQNQSIYDZ-KTKRTIGZSA-N -1 3 399.458 2.537 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822836996 606112747 /nfs/dbraw/zinc/11/27/47/606112747.db2.gz DOPCCEQNQSIYDZ-KTKRTIGZSA-N -1 3 399.458 2.537 20 30 GFEDHM N#C[C@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000822802234 606169657 /nfs/dbraw/zinc/16/96/57/606169657.db2.gz XPPSOPDFNNFALJ-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM CCCCCCCC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821050300 606369574 /nfs/dbraw/zinc/36/95/74/606369574.db2.gz QKHDTMAPBDTNKI-ZDUSSCGKSA-N -1 3 377.470 2.937 20 30 GFEDHM CCCCCCCC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821050300 606369575 /nfs/dbraw/zinc/36/95/75/606369575.db2.gz QKHDTMAPBDTNKI-ZDUSSCGKSA-N -1 3 377.470 2.937 20 30 GFEDHM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820882177 606407513 /nfs/dbraw/zinc/40/75/13/606407513.db2.gz LUXBTGFRVQECLT-WBMJQRKESA-N -1 3 391.435 2.680 20 30 GFEDHM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820882177 606407515 /nfs/dbraw/zinc/40/75/15/606407515.db2.gz LUXBTGFRVQECLT-WBMJQRKESA-N -1 3 391.435 2.680 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822801656 606445382 /nfs/dbraw/zinc/44/53/82/606445382.db2.gz LQVODTDOPHUEPG-MOPGFXCFSA-N -1 3 388.431 2.544 20 30 GFEDHM CCOc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821416584 606701244 /nfs/dbraw/zinc/70/12/44/606701244.db2.gz AXJXQQZFGFQXBX-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM CCOc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821416584 606701245 /nfs/dbraw/zinc/70/12/45/606701245.db2.gz AXJXQQZFGFQXBX-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccncc1Br ZINC000819745599 606871016 /nfs/dbraw/zinc/87/10/16/606871016.db2.gz LOIPABBQIGQWCD-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccncc1Br ZINC000819745599 606871018 /nfs/dbraw/zinc/87/10/18/606871018.db2.gz LOIPABBQIGQWCD-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C#CCCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819693644 606952311 /nfs/dbraw/zinc/95/23/11/606952311.db2.gz UYQWRNQELWKEDD-UHFFFAOYSA-N -1 3 377.408 2.979 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(OCC#N)c1 ZINC000820001249 606997735 /nfs/dbraw/zinc/99/77/35/606997735.db2.gz GXOUKHRLYKZNJS-UHFFFAOYSA-N -1 3 378.392 2.565 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(OCC#N)c1 ZINC000820001249 606997736 /nfs/dbraw/zinc/99/77/36/606997736.db2.gz GXOUKHRLYKZNJS-UHFFFAOYSA-N -1 3 378.392 2.565 20 30 GFEDHM N#Cc1ccc(F)cc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822829789 607079658 /nfs/dbraw/zinc/07/96/58/607079658.db2.gz JADBXSQRLZDPFU-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1ccc(F)cc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822829789 607079659 /nfs/dbraw/zinc/07/96/59/607079659.db2.gz JADBXSQRLZDPFU-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(F)c(C#N)c1 ZINC000820005700 607119058 /nfs/dbraw/zinc/11/90/58/607119058.db2.gz WPJFYDIQCFDGMC-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)c(C#N)c1 ZINC000820005700 607119060 /nfs/dbraw/zinc/11/90/60/607119060.db2.gz WPJFYDIQCFDGMC-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822196495 607125826 /nfs/dbraw/zinc/12/58/26/607125826.db2.gz LJAFTJYVOCSGNA-UHFFFAOYSA-N -1 3 393.426 2.981 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822196495 607125827 /nfs/dbraw/zinc/12/58/27/607125827.db2.gz LJAFTJYVOCSGNA-UHFFFAOYSA-N -1 3 393.426 2.981 20 30 GFEDHM C=CCc1ccc(OC[C@@H](O)COc2cc(-c3nnn[n-]3)ccc2C)c(OC)c1 ZINC000823937485 607876748 /nfs/dbraw/zinc/87/67/48/607876748.db2.gz ZTIJWPHVMYYMBM-QGZVFWFLSA-N -1 3 396.447 2.731 20 30 GFEDHM C=CCc1ccc(OC[C@@H](O)COc2cc(-c3nn[n-]n3)ccc2C)c(OC)c1 ZINC000823937485 607876749 /nfs/dbraw/zinc/87/67/49/607876749.db2.gz ZTIJWPHVMYYMBM-QGZVFWFLSA-N -1 3 396.447 2.731 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000826401881 607884887 /nfs/dbraw/zinc/88/48/87/607884887.db2.gz ISDAGKYJUKLKJO-YFHOEESVSA-N -1 3 390.371 2.759 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000826401881 607884888 /nfs/dbraw/zinc/88/48/88/607884888.db2.gz ISDAGKYJUKLKJO-YFHOEESVSA-N -1 3 390.371 2.759 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823898763 607943600 /nfs/dbraw/zinc/94/36/00/607943600.db2.gz AFESABKOSDTSIZ-UHFFFAOYSA-N -1 3 378.436 2.933 20 30 GFEDHM N#Cc1ccc(NC(=O)C(F)(F)c2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000826385346 607962656 /nfs/dbraw/zinc/96/26/56/607962656.db2.gz IGMJZWFEELJPCE-UHFFFAOYSA-N -1 3 376.273 2.747 20 30 GFEDHM N#Cc1ccc(NC(=O)C(F)(F)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC000826385346 607962657 /nfs/dbraw/zinc/96/26/57/607962657.db2.gz IGMJZWFEELJPCE-UHFFFAOYSA-N -1 3 376.273 2.747 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3nc4ccccc4cc3-c3nnn[n-]3)CCO2)c1 ZINC000826386825 608052642 /nfs/dbraw/zinc/05/26/42/608052642.db2.gz ULTJORRHISPCBM-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3nc4ccccc4cc3-c3nn[n-]n3)CCO2)c1 ZINC000826386825 608052643 /nfs/dbraw/zinc/05/26/43/608052643.db2.gz ULTJORRHISPCBM-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM C=CCCC(=O)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823888816 608056917 /nfs/dbraw/zinc/05/69/17/608056917.db2.gz XPMZFAMKIHOAJI-UHFFFAOYSA-N -1 3 382.376 2.731 20 30 GFEDHM C=CCCC(=O)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823888816 608056918 /nfs/dbraw/zinc/05/69/18/608056918.db2.gz XPMZFAMKIHOAJI-UHFFFAOYSA-N -1 3 382.376 2.731 20 30 GFEDHM COc1cc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1OCC#N ZINC000826179120 608078500 /nfs/dbraw/zinc/07/85/00/608078500.db2.gz ZXRUSZDZLRAEON-UITAMQMPSA-N -1 3 391.387 2.534 20 30 GFEDHM COc1cc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1OCC#N ZINC000826179120 608078501 /nfs/dbraw/zinc/07/85/01/608078501.db2.gz ZXRUSZDZLRAEON-UITAMQMPSA-N -1 3 391.387 2.534 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000825559516 608395816 /nfs/dbraw/zinc/39/58/16/608395816.db2.gz GTEOFNANJMLLLP-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000825559516 608395817 /nfs/dbraw/zinc/39/58/17/608395817.db2.gz GTEOFNANJMLLLP-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384883 608397367 /nfs/dbraw/zinc/39/73/67/608397367.db2.gz NGDGHQGQIPXNQP-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384883 608397368 /nfs/dbraw/zinc/39/73/68/608397368.db2.gz NGDGHQGQIPXNQP-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM CC(C)(C)Oc1cccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)n1 ZINC000824123276 608527653 /nfs/dbraw/zinc/52/76/53/608527653.db2.gz BGRKCGDPRTVEHV-UHFFFAOYSA-N -1 3 382.453 2.580 20 30 GFEDHM CC(C)(C)Oc1cccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)n1 ZINC000824123276 608527655 /nfs/dbraw/zinc/52/76/55/608527655.db2.gz BGRKCGDPRTVEHV-UHFFFAOYSA-N -1 3 382.453 2.580 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H](C)C1 ZINC000825499225 608540626 /nfs/dbraw/zinc/54/06/26/608540626.db2.gz INRNCXXFECVCSO-VHSXEESVSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H](C)C1 ZINC000825499225 608540628 /nfs/dbraw/zinc/54/06/28/608540628.db2.gz INRNCXXFECVCSO-VHSXEESVSA-N -1 3 377.836 2.682 20 30 GFEDHM CCc1nn(C)cc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825762438 608879635 /nfs/dbraw/zinc/87/96/35/608879635.db2.gz BAXFYOMDOLQBGR-JXMROGBWSA-N -1 3 388.435 2.553 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824656523 609240046 /nfs/dbraw/zinc/24/00/46/609240046.db2.gz LGQIHQGCFPISCF-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656523 609240047 /nfs/dbraw/zinc/24/00/47/609240047.db2.gz LGQIHQGCFPISCF-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824658340 609240487 /nfs/dbraw/zinc/24/04/87/609240487.db2.gz WCONIBNUGAYMFW-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824658340 609240489 /nfs/dbraw/zinc/24/04/89/609240489.db2.gz WCONIBNUGAYMFW-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826103402 609271932 /nfs/dbraw/zinc/27/19/32/609271932.db2.gz FZYMFUDKTZCKEJ-JSJZCHLLSA-N -1 3 396.378 2.842 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826103402 609271934 /nfs/dbraw/zinc/27/19/34/609271934.db2.gz FZYMFUDKTZCKEJ-JSJZCHLLSA-N -1 3 396.378 2.842 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000826250848 609292531 /nfs/dbraw/zinc/29/25/31/609292531.db2.gz VMBSKJQRXSCVNJ-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000826250848 609292532 /nfs/dbraw/zinc/29/25/32/609292532.db2.gz VMBSKJQRXSCVNJ-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826386907 609348813 /nfs/dbraw/zinc/34/88/13/609348813.db2.gz XYRWZSYSBKJGPU-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM N#Cc1cccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826386907 609348815 /nfs/dbraw/zinc/34/88/15/609348815.db2.gz XYRWZSYSBKJGPU-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCCC3)nc2)ccc1-c1nnn[n-]1 ZINC000826383993 609388154 /nfs/dbraw/zinc/38/81/54/609388154.db2.gz AYGQMWBQSLQKOC-UHFFFAOYSA-N -1 3 375.392 2.707 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC3CCCC3)nc2)ccc1-c1nn[n-]n1 ZINC000826383993 609388157 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C=C(Cl)C[C@H]([N-]S(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)OCC ZINC000882471285 663028516 /nfs/dbraw/zinc/02/85/16/663028516.db2.gz NOWVXUQIDPHUJV-ZJUUUORDSA-N -1 3 378.705 2.564 20 30 GFEDHM CC(=NNc1ccc(S(N)(=O)=O)cc1)c1cc(Br)ccc1[O-] ZINC000916241344 664454690 /nfs/dbraw/zinc/45/46/90/664454690.db2.gz WCGOZKKVQKLOEW-UHFFFAOYSA-N -1 3 384.255 2.638 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCC#N)c(Cl)cc1Cl ZINC000917365074 664481668 /nfs/dbraw/zinc/48/16/68/664481668.db2.gz UHSMGOWXWSHOQE-UHFFFAOYSA-N -1 3 378.281 2.571 20 30 GFEDHM CCCOc1ccccc1C(=O)C[N-]S(=O)(=O)Cc1csc(C#N)c1 ZINC000919038536 664507570 /nfs/dbraw/zinc/50/75/70/664507570.db2.gz BADKPWHVWKERTO-UHFFFAOYSA-N -1 3 378.475 2.711 20 30 GFEDHM COc1ccc(N=Cc2cc(Br)ccc2[O-])cc1S(N)(=O)=O ZINC000920942260 664534652 /nfs/dbraw/zinc/53/46/52/664534652.db2.gz UQRSBJWTKPWWCP-UHFFFAOYSA-N -1 3 385.239 2.561 20 30 GFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121800919 551242759 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GFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000291003519 563729537 /nfs/dbraw/zinc/72/95/37/563729537.db2.gz VKSAGILHEHWBDO-PXAZEXFGSA-N -1 3 384.885 2.726 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1OC ZINC000443092529 563791248 /nfs/dbraw/zinc/79/12/48/563791248.db2.gz GTPOBSJUHSRDSV-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000444216472 563824742 /nfs/dbraw/zinc/82/47/42/563824742.db2.gz CLAYOLONSRSTSV-ZFWWWQNUSA-N -1 3 382.448 2.863 20 30 GFEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416453585 563830913 /nfs/dbraw/zinc/83/09/13/563830913.db2.gz RDNHIHJDJQPRSH-KGLIPLIRSA-N -1 3 387.299 2.803 20 30 GFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000416531974 563844014 /nfs/dbraw/zinc/84/40/14/563844014.db2.gz QISRMSHYEJWQTB-CYBMUJFWSA-N -1 3 386.901 2.973 20 30 GFEDHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CC(C)(C)CC#N)s1 ZINC000416533678 563844497 /nfs/dbraw/zinc/84/44/97/563844497.db2.gz UTUGQXVNLZTDDJ-UHFFFAOYSA-N -1 3 385.555 2.671 20 30 GFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)CC(C)C ZINC000416654181 563858760 /nfs/dbraw/zinc/85/87/60/563858760.db2.gz VQPFQXFOEYPNJL-CYBMUJFWSA-N -1 3 375.288 2.660 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000508070177 564251675 /nfs/dbraw/zinc/25/16/75/564251675.db2.gz VFPNEUSAELDQNM-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000510559122 564338346 /nfs/dbraw/zinc/33/83/46/564338346.db2.gz MPELSEPPWMODJG-ZDUSSCGKSA-N -1 3 386.260 2.662 20 30 GFEDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC ZINC000451682314 564339382 /nfs/dbraw/zinc/33/93/82/564339382.db2.gz QXAGCIIXNXVYPK-GXFFZTMASA-N -1 3 375.288 2.660 20 30 GFEDHM C=CCSCCNC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000512825295 564412743 /nfs/dbraw/zinc/41/27/43/564412743.db2.gz DGBZCCONBAUQKH-UHFFFAOYSA-N -1 3 397.444 2.568 20 30 GFEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)OC ZINC000481601758 564517908 /nfs/dbraw/zinc/51/79/08/564517908.db2.gz DQCMFZBZDKQKKK-OAHLLOKOSA-N -1 3 383.853 2.516 20 30 GFEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549234532 564588937 /nfs/dbraw/zinc/58/89/37/564588937.db2.gz KOPRLNWLLCMSPI-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000486000908 564635129 /nfs/dbraw/zinc/63/51/29/564635129.db2.gz NKLIMZMEISEACA-NSHDSACASA-N -1 3 378.288 2.717 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000576816859 564720482 /nfs/dbraw/zinc/72/04/82/564720482.db2.gz MTFJOBDFZWXIMY-QFYYESIMSA-N -1 3 377.238 2.612 20 30 GFEDHM CCC(C#N)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000527705988 564757783 /nfs/dbraw/zinc/75/77/83/564757783.db2.gz UGKDWFWNIJOWMI-UHFFFAOYSA-N -1 3 377.388 2.796 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO[C@H]1C1CC1 ZINC000557833867 564879887 /nfs/dbraw/zinc/87/98/87/564879887.db2.gz LYIFTBVROGLVSB-HOTGVXAUSA-N -1 3 399.310 2.804 20 30 GFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753196 565358904 /nfs/dbraw/zinc/35/89/04/565358904.db2.gz PMQIFONBBKWZHA-UHFFFAOYSA-N -1 3 384.866 2.847 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594485124 565395001 /nfs/dbraw/zinc/39/50/01/565395001.db2.gz WVLGEAUDYOYFRO-CABCVRRESA-N -1 3 398.326 2.616 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000644177957 565462259 /nfs/dbraw/zinc/46/22/59/565462259.db2.gz LPPMFZYZAUEABC-CQSZACIVSA-N -1 3 376.400 2.696 20 30 GFEDHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610083487 566065914 /nfs/dbraw/zinc/06/59/14/566065914.db2.gz IJKURBFJNLIIKJ-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2cccc(C#N)c2)c1C ZINC000737504318 598840935 /nfs/dbraw/zinc/84/09/35/598840935.db2.gz SOOSVVSIMUANMO-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM N#CCOc1ccc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737697754 598844584 /nfs/dbraw/zinc/84/45/84/598844584.db2.gz MSDYQOJQFLITBP-UHFFFAOYSA-N -1 3 395.444 2.746 20 30 GFEDHM N#CCOc1ccc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737697754 598844585 /nfs/dbraw/zinc/84/45/85/598844585.db2.gz MSDYQOJQFLITBP-UHFFFAOYSA-N -1 3 395.444 2.746 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(Br)cc2F)ccc1-c1nnn[n-]1 ZINC000737709226 598914145 /nfs/dbraw/zinc/91/41/45/598914145.db2.gz LQGCWACMGLPQEZ-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(Br)cc2F)ccc1-c1nn[n-]n1 ZINC000737709226 598914147 /nfs/dbraw/zinc/91/41/47/598914147.db2.gz LQGCWACMGLPQEZ-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737709335 598914581 /nfs/dbraw/zinc/91/45/81/598914581.db2.gz MZINILKTOJWKQO-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737709335 598914582 /nfs/dbraw/zinc/91/45/82/598914582.db2.gz MZINILKTOJWKQO-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM C/C=C\c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736303086 598917556 /nfs/dbraw/zinc/91/75/56/598917556.db2.gz HVOOZIJFSHKWBX-ARJAWSKDSA-N -1 3 390.403 2.798 20 30 GFEDHM C/C=C\c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736303086 598917557 /nfs/dbraw/zinc/91/75/57/598917557.db2.gz HVOOZIJFSHKWBX-ARJAWSKDSA-N -1 3 390.403 2.798 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000736508475 598969912 /nfs/dbraw/zinc/96/99/12/598969912.db2.gz MRNODHCCKGHLLP-CQSZACIVSA-N -1 3 396.476 2.651 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000736508475 598969914 /nfs/dbraw/zinc/96/99/14/598969914.db2.gz MRNODHCCKGHLLP-CQSZACIVSA-N -1 3 396.476 2.651 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OCC#N ZINC000821712610 599113105 /nfs/dbraw/zinc/11/31/05/599113105.db2.gz JJGHQYXWMZLFOE-GDNBJRDFSA-N -1 3 387.399 2.990 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OCC#N ZINC000821712610 599113107 /nfs/dbraw/zinc/11/31/07/599113107.db2.gz JJGHQYXWMZLFOE-GDNBJRDFSA-N -1 3 387.399 2.990 20 30 GFEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000821786507 599115829 /nfs/dbraw/zinc/11/58/29/599115829.db2.gz FCWRDSBDVJXMBC-JYRVWZFOSA-N -1 3 377.360 2.996 20 30 GFEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000821786507 599115832 /nfs/dbraw/zinc/11/58/32/599115832.db2.gz FCWRDSBDVJXMBC-JYRVWZFOSA-N -1 3 377.360 2.996 20 30 GFEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(-c2ccncc2)n1 ZINC000822673817 599117144 /nfs/dbraw/zinc/11/71/44/599117144.db2.gz CGGWWKMHAHCTQW-RVDMUPIBSA-N -1 3 383.415 2.875 20 30 GFEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(-c2ccncc2)n1 ZINC000822673817 599117147 /nfs/dbraw/zinc/11/71/47/599117147.db2.gz CGGWWKMHAHCTQW-RVDMUPIBSA-N -1 3 383.415 2.875 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737082093 599126101 /nfs/dbraw/zinc/12/61/01/599126101.db2.gz UDQKAOWFYOJJKH-UHFFFAOYSA-N -1 3 387.856 2.849 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737082093 599126102 /nfs/dbraw/zinc/12/61/02/599126102.db2.gz UDQKAOWFYOJJKH-UHFFFAOYSA-N -1 3 387.856 2.849 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000737081367 599150625 /nfs/dbraw/zinc/15/06/25/599150625.db2.gz NSLLZOVVBBDSHZ-FNORWQNLSA-N -1 3 396.403 2.797 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000737081367 599150627 /nfs/dbraw/zinc/15/06/27/599150627.db2.gz NSLLZOVVBBDSHZ-FNORWQNLSA-N -1 3 396.403 2.797 20 30 GFEDHM C=CCc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc(OC)c1OC ZINC000819759259 599161387 /nfs/dbraw/zinc/16/13/87/599161387.db2.gz RALZTEMQSLLRON-UHFFFAOYSA-N -1 3 397.410 2.682 20 30 GFEDHM C=CCc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc(OC)c1OC ZINC000819759259 599161389 /nfs/dbraw/zinc/16/13/89/599161389.db2.gz RALZTEMQSLLRON-UHFFFAOYSA-N -1 3 397.410 2.682 20 30 GFEDHM N#Cc1ccc(OCCNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000822833569 599250366 /nfs/dbraw/zinc/25/03/66/599250366.db2.gz RVWHELQHHWAQRK-UHFFFAOYSA-N -1 3 383.799 2.592 20 30 GFEDHM N#Cc1ccc(OCCNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000822833569 599250368 /nfs/dbraw/zinc/25/03/68/599250368.db2.gz RVWHELQHHWAQRK-UHFFFAOYSA-N -1 3 383.799 2.592 20 30 GFEDHM N#CC1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC1 ZINC000737679675 598264585 /nfs/dbraw/zinc/26/45/85/598264585.db2.gz SDRUWPMNASATAD-UHFFFAOYSA-N -1 3 390.407 2.821 20 30 GFEDHM C=CCc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000735442530 598302756 /nfs/dbraw/zinc/30/27/56/598302756.db2.gz FJUCIFNIJHZZMY-UHFFFAOYSA-N -1 3 397.410 2.682 20 30 GFEDHM C=CCc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000735442530 598302759 /nfs/dbraw/zinc/30/27/59/598302759.db2.gz FJUCIFNIJHZZMY-UHFFFAOYSA-N -1 3 397.410 2.682 20 30 GFEDHM O=C1Nc2cc(F)ccc2C1=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738319395 598314980 /nfs/dbraw/zinc/31/49/80/598314980.db2.gz PADRSFRYKDURID-UHFFFAOYSA-N -1 3 391.288 2.793 20 30 GFEDHM O=C1Nc2cc(F)ccc2C1=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738319395 598314982 /nfs/dbraw/zinc/31/49/82/598314982.db2.gz PADRSFRYKDURID-UHFFFAOYSA-N -1 3 391.288 2.793 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000736480159 598329123 /nfs/dbraw/zinc/32/91/23/598329123.db2.gz LHFDYBOPPXTGGW-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000736480159 598329125 /nfs/dbraw/zinc/32/91/25/598329125.db2.gz LHFDYBOPPXTGGW-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM CC(=O)Nc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000735483955 598376640 /nfs/dbraw/zinc/37/66/40/598376640.db2.gz FGUNYGKPGABWAJ-YFHOEESVSA-N -1 3 376.420 2.777 20 30 GFEDHM CC(=O)Nc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000735483955 598376642 /nfs/dbraw/zinc/37/66/42/598376642.db2.gz FGUNYGKPGABWAJ-YFHOEESVSA-N -1 3 376.420 2.777 20 30 GFEDHM C#CC[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735375985 598510353 /nfs/dbraw/zinc/51/03/53/598510353.db2.gz VPXQWCBOMAMDAX-QGZVFWFLSA-N -1 3 379.445 2.803 20 30 GFEDHM C#CC[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735375985 598510356 /nfs/dbraw/zinc/51/03/56/598510356.db2.gz VPXQWCBOMAMDAX-QGZVFWFLSA-N -1 3 379.445 2.803 20 30 GFEDHM N#CCOc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737698028 598545981 /nfs/dbraw/zinc/54/59/81/598545981.db2.gz RPZORZOBVZTAGD-UHFFFAOYSA-N -1 3 386.318 2.623 20 30 GFEDHM N#CCOc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737698028 598545982 /nfs/dbraw/zinc/54/59/82/598545982.db2.gz RPZORZOBVZTAGD-UHFFFAOYSA-N -1 3 386.318 2.623 20 30 GFEDHM N#Cc1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737703561 598576571 /nfs/dbraw/zinc/57/65/71/598576571.db2.gz COLOFGQYSJJWOL-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C#N)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234268 598611892 /nfs/dbraw/zinc/61/18/92/598611892.db2.gz NXLONEUCIZEYQI-INIZCTEOSA-N -1 3 377.452 2.942 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735755549 598686118 /nfs/dbraw/zinc/68/61/18/598686118.db2.gz GROBBXXRKOLDGM-OAHLLOKOSA-N -1 3 377.408 2.722 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735755549 598686119 /nfs/dbraw/zinc/68/61/19/598686119.db2.gz GROBBXXRKOLDGM-OAHLLOKOSA-N -1 3 377.408 2.722 20 30 GFEDHM N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737721096 598770020 /nfs/dbraw/zinc/77/00/20/598770020.db2.gz GLWXHVZWGMSIHA-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737721096 598770022 /nfs/dbraw/zinc/77/00/22/598770022.db2.gz GLWXHVZWGMSIHA-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735507096 598781319 /nfs/dbraw/zinc/78/13/19/598781319.db2.gz ZFIHEDBTGULZGC-LBPRGKRZSA-N -1 3 378.396 2.677 20 30 GFEDHM C=CCOCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735438266 598816808 /nfs/dbraw/zinc/81/68/08/598816808.db2.gz ZHYXMJXCBXWDQN-UHFFFAOYSA-N -1 3 381.411 2.737 20 30 GFEDHM C=CCOCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000735438266 598816811 /nfs/dbraw/zinc/81/68/11/598816811.db2.gz ZHYXMJXCBXWDQN-UHFFFAOYSA-N -1 3 381.411 2.737 20 30 GFEDHM C[C@@H](SCC(=O)NCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189216 599330591 /nfs/dbraw/zinc/33/05/91/599330591.db2.gz OOISYRGZYZMHGI-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@@H](SCC(=O)NCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189216 599330593 /nfs/dbraw/zinc/33/05/93/599330593.db2.gz OOISYRGZYZMHGI-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820173642 607374042 /nfs/dbraw/zinc/37/40/42/607374042.db2.gz KJEZAQFHNANHAS-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820173642 607374044 /nfs/dbraw/zinc/37/40/44/607374044.db2.gz KJEZAQFHNANHAS-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820160648 607403261 /nfs/dbraw/zinc/40/32/61/607403261.db2.gz OPZQOKWXPLWSQX-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820160648 607403262 /nfs/dbraw/zinc/40/32/62/607403262.db2.gz OPZQOKWXPLWSQX-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000826252624 607410889 /nfs/dbraw/zinc/41/08/89/607410889.db2.gz KYOIOEZGNUPUQW-UHFFFAOYSA-N -1 3 377.404 2.948 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000826252624 607410890 /nfs/dbraw/zinc/41/08/90/607410890.db2.gz KYOIOEZGNUPUQW-UHFFFAOYSA-N -1 3 377.404 2.948 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000826384418 607432502 /nfs/dbraw/zinc/43/25/02/607432502.db2.gz UXFKIWNEFLFUOU-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2cccc(OC(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000826384418 607432504 /nfs/dbraw/zinc/43/25/04/607432504.db2.gz UXFKIWNEFLFUOU-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000819733840 607438944 /nfs/dbraw/zinc/43/89/44/607438944.db2.gz CCJGJASFELOMSU-INIZCTEOSA-N -1 3 394.410 2.768 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000819733840 607438945 /nfs/dbraw/zinc/43/89/45/607438945.db2.gz CCJGJASFELOMSU-INIZCTEOSA-N -1 3 394.410 2.768 20 30 GFEDHM C=CCNc1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000819750593 607440513 /nfs/dbraw/zinc/44/05/13/607440513.db2.gz GQVUBRSYMPEOTL-UHFFFAOYSA-N -1 3 385.453 2.961 20 30 GFEDHM C=CCNc1ncc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000819750593 607440515 /nfs/dbraw/zinc/44/05/15/607440515.db2.gz GQVUBRSYMPEOTL-UHFFFAOYSA-N -1 3 385.453 2.961 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1N1CCOCC1 ZINC000822922564 607460222 /nfs/dbraw/zinc/46/02/22/607460222.db2.gz HPNCEUIOUJGHBM-SREVYHEPSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1N1CCOCC1 ZINC000822922564 607460225 /nfs/dbraw/zinc/46/02/25/607460225.db2.gz HPNCEUIOUJGHBM-SREVYHEPSA-N -1 3 397.385 2.878 20 30 GFEDHM COc1ccc(OC)c(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000821842835 606175388 /nfs/dbraw/zinc/17/53/88/606175388.db2.gz VUWBKQDWLGWADN-UHFFFAOYSA-N -1 3 378.392 2.687 20 30 GFEDHM COc1ccc(OC)c(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000821842835 606175389 /nfs/dbraw/zinc/17/53/89/606175389.db2.gz VUWBKQDWLGWADN-UHFFFAOYSA-N -1 3 378.392 2.687 20 30 GFEDHM COc1cccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)c1OC ZINC000821863740 606175544 /nfs/dbraw/zinc/17/55/44/606175544.db2.gz NZGIYEHYNQARJJ-UHFFFAOYSA-N -1 3 378.392 2.687 20 30 GFEDHM COc1cccc(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)c1OC ZINC000821863740 606175545 /nfs/dbraw/zinc/17/55/45/606175545.db2.gz NZGIYEHYNQARJJ-UHFFFAOYSA-N -1 3 378.392 2.687 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822801301 606299759 /nfs/dbraw/zinc/29/97/59/606299759.db2.gz GVZPZNWLCBVELS-DNVCBOLYSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822801301 606299761 /nfs/dbraw/zinc/29/97/61/606299761.db2.gz GVZPZNWLCBVELS-DNVCBOLYSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822800936 606299836 /nfs/dbraw/zinc/29/98/36/606299836.db2.gz BDVGKRHYGITUII-HKUYNNGSSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822800936 606299838 /nfs/dbraw/zinc/29/98/38/606299838.db2.gz BDVGKRHYGITUII-HKUYNNGSSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822800938 606300016 /nfs/dbraw/zinc/30/00/16/606300016.db2.gz BDVGKRHYGITUII-MJGOQNOKSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822800938 606300018 /nfs/dbraw/zinc/30/00/18/606300018.db2.gz BDVGKRHYGITUII-MJGOQNOKSA-N -1 3 388.431 2.868 20 30 GFEDHM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822166968 606301141 /nfs/dbraw/zinc/30/11/41/606301141.db2.gz AGLNHNZYMQYWQX-MAUKXSAKSA-N -1 3 375.436 2.696 20 30 GFEDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822978768 606530249 /nfs/dbraw/zinc/53/02/49/606530249.db2.gz QAGAIFDFDCCLIT-UHFFFAOYSA-N -1 3 399.376 2.986 20 30 GFEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822978768 606530251 /nfs/dbraw/zinc/53/02/51/606530251.db2.gz QAGAIFDFDCCLIT-UHFFFAOYSA-N -1 3 399.376 2.986 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Sc1ccccn1 ZINC000819743194 606636001 /nfs/dbraw/zinc/63/60/01/606636001.db2.gz FLIVBNGYATZNPC-AWEZNQCLSA-N -1 3 380.477 2.957 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Sc1ccccn1 ZINC000819743194 606636002 /nfs/dbraw/zinc/63/60/02/606636002.db2.gz FLIVBNGYATZNPC-AWEZNQCLSA-N -1 3 380.477 2.957 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819740219 606843268 /nfs/dbraw/zinc/84/32/68/606843268.db2.gz UTWVNQNBCXGFBY-UHFFFAOYSA-N -1 3 379.461 2.763 20 30 GFEDHM C#CCCCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819692307 606949718 /nfs/dbraw/zinc/94/97/18/606949718.db2.gz BJCABGBBBWLXKR-UHFFFAOYSA-N -1 3 381.465 2.839 20 30 GFEDHM C#CCCCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819692307 606949720 /nfs/dbraw/zinc/94/97/20/606949720.db2.gz BJCABGBBBWLXKR-UHFFFAOYSA-N -1 3 381.465 2.839 20 30 GFEDHM C=CCc1ccc(OCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000819758662 606974845 /nfs/dbraw/zinc/97/48/45/606974845.db2.gz DOIRWINGNORYBV-UHFFFAOYSA-N -1 3 379.420 2.646 20 30 GFEDHM C=CCc1ccc(OCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000819758662 606974847 /nfs/dbraw/zinc/97/48/47/606974847.db2.gz DOIRWINGNORYBV-UHFFFAOYSA-N -1 3 379.420 2.646 20 30 GFEDHM C#CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819709540 607023551 /nfs/dbraw/zinc/02/35/51/607023551.db2.gz IOLQABKGVBXOLK-UHFFFAOYSA-N -1 3 377.404 2.675 20 30 GFEDHM C#CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819709540 607023553 /nfs/dbraw/zinc/02/35/53/607023553.db2.gz IOLQABKGVBXOLK-UHFFFAOYSA-N -1 3 377.404 2.675 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)c1c(C)noc1C ZINC000823909538 607782080 /nfs/dbraw/zinc/78/20/80/607782080.db2.gz IFGARBUVDNXILK-ZDUSSCGKSA-N -1 3 395.467 2.973 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)c1c(C)noc1C ZINC000823909538 607782081 /nfs/dbraw/zinc/78/20/81/607782081.db2.gz IFGARBUVDNXILK-ZDUSSCGKSA-N -1 3 395.467 2.973 20 30 GFEDHM CCN(C(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC000825371745 607878712 /nfs/dbraw/zinc/87/87/12/607878712.db2.gz JRPPOHBLRMPBQK-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM CCN(C(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(C#N)c(Cl)c1 ZINC000825371745 607878713 /nfs/dbraw/zinc/87/87/13/607878713.db2.gz JRPPOHBLRMPBQK-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000826177148 607915699 /nfs/dbraw/zinc/91/56/99/607915699.db2.gz UKZBKPHRMGPYRV-FNORWQNLSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000826177148 607915700 /nfs/dbraw/zinc/91/57/00/607915700.db2.gz UKZBKPHRMGPYRV-FNORWQNLSA-N -1 3 384.367 2.928 20 30 GFEDHM C=C(C)[C@@H](CC(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)OCC ZINC000823874455 607920303 /nfs/dbraw/zinc/92/03/03/607920303.db2.gz XDEYMEAXNXVHNP-QGZVFWFLSA-N -1 3 396.451 2.775 20 30 GFEDHM C=CCCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823899489 607958937 /nfs/dbraw/zinc/95/89/37/607958937.db2.gz XAHQJKOWBAUQTO-UHFFFAOYSA-N -1 3 395.423 2.768 20 30 GFEDHM C=CCCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823899489 607958938 /nfs/dbraw/zinc/95/89/38/607958938.db2.gz XAHQJKOWBAUQTO-UHFFFAOYSA-N -1 3 395.423 2.768 20 30 GFEDHM Fc1cnc(N=NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000826378640 608016522 /nfs/dbraw/zinc/01/65/22/608016522.db2.gz UBFCMEJVFPYXEO-UHFFFAOYSA-N -1 3 390.382 2.821 20 30 GFEDHM Fc1cnc(N=NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000826378640 608016523 /nfs/dbraw/zinc/01/65/23/608016523.db2.gz UBFCMEJVFPYXEO-UHFFFAOYSA-N -1 3 390.382 2.821 20 30 GFEDHM Fc1ccc(Br)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826373429 608054342 /nfs/dbraw/zinc/05/43/42/608054342.db2.gz LXKVBJUJPSDFLZ-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Fc1ccc(Br)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826373429 608054343 /nfs/dbraw/zinc/05/43/43/608054343.db2.gz LXKVBJUJPSDFLZ-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM C#CCOCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823856735 608133613 /nfs/dbraw/zinc/13/36/13/608133613.db2.gz XEDWRLXGGSLTLD-UHFFFAOYSA-N -1 3 397.822 2.692 20 30 GFEDHM C#CCOCCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823856735 608133614 /nfs/dbraw/zinc/13/36/14/608133614.db2.gz XEDWRLXGGSLTLD-UHFFFAOYSA-N -1 3 397.822 2.692 20 30 GFEDHM CCOc1ccc(C=NOCc2cc(-c3nnn[n-]3)ccc2OC)cc1OC ZINC000825638148 608150316 /nfs/dbraw/zinc/15/03/16/608150316.db2.gz HIZRPGAVSDVBFN-UHFFFAOYSA-N -1 3 383.408 2.833 20 30 GFEDHM CCOc1ccc(C=NOCc2cc(-c3nn[n-]n3)ccc2OC)cc1OC ZINC000825638148 608150319 /nfs/dbraw/zinc/15/03/19/608150319.db2.gz HIZRPGAVSDVBFN-UHFFFAOYSA-N -1 3 383.408 2.833 20 30 GFEDHM N#Cc1c(Cl)nsc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826383030 608182845 /nfs/dbraw/zinc/18/28/45/608182845.db2.gz HFOPNKPLDHFYDV-UHFFFAOYSA-N -1 3 387.856 2.896 20 30 GFEDHM N#Cc1c(Cl)nsc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826383030 608182847 /nfs/dbraw/zinc/18/28/47/608182847.db2.gz HFOPNKPLDHFYDV-UHFFFAOYSA-N -1 3 387.856 2.896 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c(C)nn(CC)c1C ZINC000823909767 608271709 /nfs/dbraw/zinc/27/17/09/608271709.db2.gz QETOTVIFUMAHPC-UHFFFAOYSA-N -1 3 380.456 2.920 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c(C)nn(CC)c1C ZINC000823909767 608271711 /nfs/dbraw/zinc/27/17/11/608271711.db2.gz QETOTVIFUMAHPC-UHFFFAOYSA-N -1 3 380.456 2.920 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNc2nc(C)ccc2-c2nnn[n-]2)ccc1OC ZINC000825039081 608287818 /nfs/dbraw/zinc/28/78/18/608287818.db2.gz MCCSXNAJOUGHDH-AWEZNQCLSA-N -1 3 379.424 2.872 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNc2nc(C)ccc2-c2nn[n-]n2)ccc1OC ZINC000825039081 608287819 /nfs/dbraw/zinc/28/78/19/608287819.db2.gz MCCSXNAJOUGHDH-AWEZNQCLSA-N -1 3 379.424 2.872 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N2CCOCC2)cc1 ZINC000823958554 608541569 /nfs/dbraw/zinc/54/15/69/608541569.db2.gz QJDDAGDRUKPWCL-UHFFFAOYSA-N -1 3 398.858 2.588 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823888412 608561426 /nfs/dbraw/zinc/56/14/26/608561426.db2.gz LSXXKBYWUCVIJE-AWEZNQCLSA-N -1 3 379.420 2.573 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888412 608561427 /nfs/dbraw/zinc/56/14/27/608561427.db2.gz LSXXKBYWUCVIJE-AWEZNQCLSA-N -1 3 379.420 2.573 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823888750 608561567 /nfs/dbraw/zinc/56/15/67/608561567.db2.gz VJOPSPCCBKZRFY-OAHLLOKOSA-N -1 3 393.447 2.882 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823888750 608561568 /nfs/dbraw/zinc/56/15/68/608561568.db2.gz VJOPSPCCBKZRFY-OAHLLOKOSA-N -1 3 393.447 2.882 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)c1ccncc1 ZINC000823909686 608618508 /nfs/dbraw/zinc/61/85/08/608618508.db2.gz NEKZXPWHMVWWKU-UHFFFAOYSA-N -1 3 391.479 2.937 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)c1ccncc1 ZINC000823909686 608618509 /nfs/dbraw/zinc/61/85/09/608618509.db2.gz NEKZXPWHMVWWKU-UHFFFAOYSA-N -1 3 391.479 2.937 20 30 GFEDHM N#Cc1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c([N+](=O)[O-])c1 ZINC000826385374 608866675 /nfs/dbraw/zinc/86/66/75/608866675.db2.gz JFKZZKVNCIHLMK-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM N#Cc1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c([N+](=O)[O-])c1 ZINC000826385374 608866680 /nfs/dbraw/zinc/86/66/80/608866680.db2.gz JFKZZKVNCIHLMK-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nnn1-c1ccccc1 ZINC000826234191 608877246 /nfs/dbraw/zinc/87/72/46/608877246.db2.gz LOCZYOOVFAGLKJ-CSKARUKUSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000826234191 608877250 /nfs/dbraw/zinc/87/72/50/608877250.db2.gz LOCZYOOVFAGLKJ-CSKARUKUSA-N -1 3 375.367 2.791 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000826401016 608878072 /nfs/dbraw/zinc/87/80/72/608878072.db2.gz NFDQSBZZURGARS-KRXBUXKQSA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000826401016 608878073 /nfs/dbraw/zinc/87/80/73/608878073.db2.gz NFDQSBZZURGARS-KRXBUXKQSA-N -1 3 379.351 2.859 20 30 GFEDHM COCCc1nc(C)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000826163368 608882574 /nfs/dbraw/zinc/88/25/74/608882574.db2.gz REYJADPUPWZAQD-UHFFFAOYSA-N -1 3 392.876 2.705 20 30 GFEDHM COCCc1nc(C)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000826163368 608882576 /nfs/dbraw/zinc/88/25/76/608882576.db2.gz REYJADPUPWZAQD-UHFFFAOYSA-N -1 3 392.876 2.705 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C#N)cn2C)c1-c1nnn[n-]1 ZINC000826234253 609168297 /nfs/dbraw/zinc/16/82/97/609168297.db2.gz OCAPVFMQHSEYSE-UHFFFAOYSA-N -1 3 386.419 2.737 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(C#N)cn2C)c1-c1nn[n-]n1 ZINC000826234253 609168299 /nfs/dbraw/zinc/16/82/99/609168299.db2.gz OCAPVFMQHSEYSE-UHFFFAOYSA-N -1 3 386.419 2.737 20 30 GFEDHM N#Cc1cccc(OCCNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826386967 609278413 /nfs/dbraw/zinc/27/84/13/609278413.db2.gz AARYJLOUINTQBJ-UHFFFAOYSA-N -1 3 390.382 2.554 20 30 GFEDHM OC1(c2cccc(F)c2)CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826505993 609470223 /nfs/dbraw/zinc/47/02/23/609470223.db2.gz KMXOBCYTFJEHHW-UHFFFAOYSA-N -1 3 380.427 2.913 20 30 GFEDHM OC1(c2cccc(F)c2)CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826505993 609470227 /nfs/dbraw/zinc/47/02/27/609470227.db2.gz KMXOBCYTFJEHHW-UHFFFAOYSA-N -1 3 380.427 2.913 20 30 GFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000823958870 609473509 /nfs/dbraw/zinc/47/35/09/609473509.db2.gz ZWULQPZLYXAFMU-UHFFFAOYSA-N -1 3 390.856 2.760 20 30 GFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000823958870 609473511 /nfs/dbraw/zinc/47/35/11/609473511.db2.gz ZWULQPZLYXAFMU-UHFFFAOYSA-N -1 3 390.856 2.760 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824035221 609504104 /nfs/dbraw/zinc/50/41/04/609504104.db2.gz UPESJMINLIKVIA-STQMWFEESA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824035221 609504105 /nfs/dbraw/zinc/50/41/05/609504105.db2.gz UPESJMINLIKVIA-STQMWFEESA-N -1 3 377.408 2.597 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258834 609523060 /nfs/dbraw/zinc/52/30/60/609523060.db2.gz YSNZNGMEXPTHJO-CQSZACIVSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258834 609523062 /nfs/dbraw/zinc/52/30/62/609523062.db2.gz YSNZNGMEXPTHJO-CQSZACIVSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258199 609601326 /nfs/dbraw/zinc/60/13/26/609601326.db2.gz DHKSLOGNYFRPEO-RNODOKPDSA-N -1 3 390.451 2.563 20 30 GFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258199 609601328 /nfs/dbraw/zinc/60/13/28/609601328.db2.gz DHKSLOGNYFRPEO-RNODOKPDSA-N -1 3 390.451 2.563 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000820482543 660295145 /nfs/dbraw/zinc/29/51/45/660295145.db2.gz MNVMMFZBLUAORO-GFCCVEGCSA-N -1 3 376.762 2.887 20 30 GFEDHM O=[N+]([O-])c1cc(Br)ccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823634751 660377106 /nfs/dbraw/zinc/37/71/06/660377106.db2.gz LKLZOUURDHEHGN-UHFFFAOYSA-N -1 3 388.185 2.983 20 30 GFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CSCC#N)cc2)cc1 ZINC000042008934 654634655 /nfs/dbraw/zinc/63/46/55/654634655.db2.gz GRHLZWBXFCRZGK-UHFFFAOYSA-N -1 3 375.475 2.991 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCC2(C#N)CCC2)c1Cl ZINC000837565407 661005278 /nfs/dbraw/zinc/00/52/78/661005278.db2.gz GKCIUWHQZHVPPH-UHFFFAOYSA-N -1 3 377.249 2.752 20 30 GFEDHM N#CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C1CC1 ZINC000271321583 655075974 /nfs/dbraw/zinc/07/59/74/655075974.db2.gz OWKDFDOIYLEUQO-UHFFFAOYSA-N -1 3 393.184 2.673 20 30 GFEDHM C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1F ZINC000179641422 655315456 /nfs/dbraw/zinc/31/54/56/655315456.db2.gz VXCOCHQVDJPBGJ-UHFFFAOYSA-N -1 3 384.816 2.901 20 30 GFEDHM COc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(Br)c1 ZINC000574361424 655429801 /nfs/dbraw/zinc/42/98/01/655429801.db2.gz PWUGEYZVLZITAN-UHFFFAOYSA-N -1 3 382.239 2.834 20 30 GFEDHM CN(C(=O)COC(=O)c1cccc(Br)c1[O-])C1(C#N)CCCCC1 ZINC000730364913 655575120 /nfs/dbraw/zinc/57/51/20/655575120.db2.gz PLQVHPKJFUMPNU-UHFFFAOYSA-N -1 3 395.253 2.996 20 30 GFEDHM CCOc1cc(C=Nn2c(=S)[nH][nH]c2=S)cc(Br)c1[O-] ZINC000744762124 655744727 /nfs/dbraw/zinc/74/47/27/655744727.db2.gz WNDWKSHIHXGXPV-UHFFFAOYSA-N -1 3 375.273 2.605 20 30 GFEDHM O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[N-]1 ZINC000744810694 655745336 /nfs/dbraw/zinc/74/53/36/655745336.db2.gz VYEZJVPKHAIOAD-UHFFFAOYSA-N -1 3 393.153 2.503 20 30 GFEDHM Cc1cc(NC(=O)C/N=C\c2c([O-])c(C)ncc2CO)ccc1Br ZINC000748585285 655792208 /nfs/dbraw/zinc/79/22/08/655792208.db2.gz GFTZDHRUROMSPP-GXHLCREISA-N -1 3 392.253 2.716 20 30 GFEDHM CC(=NNS(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1[O-] ZINC000764723745 656117922 /nfs/dbraw/zinc/11/79/22/656117922.db2.gz RIISKKSXSPJJTJ-UHFFFAOYSA-N -1 3 387.230 2.996 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000781033966 657040503 /nfs/dbraw/zinc/04/05/03/657040503.db2.gz FZUYHDWHSCKFAQ-JTQLQIEISA-N -1 3 399.881 2.609 20 30 GFEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)cc2Cl)ccc1F ZINC000784234130 657297007 /nfs/dbraw/zinc/29/70/07/657297007.db2.gz UFNMRBVFTRLKAH-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM COC(=O)c1ccc(Br)c(NN=C2C(=O)Nc3cc([O-])ccc32)c1 ZINC000793117027 658360414 /nfs/dbraw/zinc/36/04/14/658360414.db2.gz IIZJSLXZOCUMLF-UHFFFAOYSA-N -1 3 390.193 2.710 20 30 GFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)nc1 ZINC000800936005 659353532 /nfs/dbraw/zinc/35/35/32/659353532.db2.gz FIBOKLSRKUBQFU-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM CC(C)(Sc1ccc(Br)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135569 661627152 /nfs/dbraw/zinc/62/71/52/661627152.db2.gz FOJKFJCWGMNDQC-LBPRGKRZSA-N -1 3 387.299 2.816 20 30 GFEDHM CC(C)(C)NS(=O)(=O)C1(CN=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125425 662312749 /nfs/dbraw/zinc/31/27/49/662312749.db2.gz VQGCYDQYNLEBJQ-UHFFFAOYSA-N -1 3 379.511 2.941 20 30 GFEDHM Cc1ccc(Br)c(NCc2nc3c(c(=O)[n-]2)COCC3)c1C#N ZINC000872627518 662781201 /nfs/dbraw/zinc/78/12/01/662781201.db2.gz QWAOEHXOYCLSKX-UHFFFAOYSA-N -1 3 375.226 2.810 20 30 GFEDHM CC(C)Oc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br ZINC000880372430 662958785 /nfs/dbraw/zinc/95/87/85/662958785.db2.gz IOSYEORBLZHNAP-LBPRGKRZSA-N -1 3 386.246 2.738 20 30 GFEDHM Cc1cncc(Br)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000892694049 663381847 /nfs/dbraw/zinc/38/18/47/663381847.db2.gz CKWAYGXHSLXHPX-UHFFFAOYSA-N -1 3 389.253 2.735 20 30 GFEDHM O=C1[C@@H](NCc2cc(Br)c(Br)s2)CCCN1[O-] ZINC000895158412 663501443 /nfs/dbraw/zinc/50/14/43/663501443.db2.gz ZWVZHLDLYQCGQI-QMMMGPOBSA-N -1 3 384.093 2.743 20 30 GFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907098224 664001505 /nfs/dbraw/zinc/00/15/05/664001505.db2.gz XDHCJGQDVPHBEZ-VIFPVBQESA-N -1 3 393.278 2.710 20 30 GFEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]Cc1cc(Br)no1 ZINC000916004012 664446481 /nfs/dbraw/zinc/44/64/81/664446481.db2.gz QBWSMDPGOWULTH-UHFFFAOYSA-N -1 3 384.255 2.545 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000175014650 552113715 /nfs/dbraw/zinc/11/37/15/552113715.db2.gz MKDILDNMWNLVHQ-UHFFFAOYSA-N -1 3 393.563 2.755 20 30 GFEDHM COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000180035804 552210456 /nfs/dbraw/zinc/21/04/56/552210456.db2.gz ROZXLNCOVHUBSK-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000180851467 552237837 /nfs/dbraw/zinc/23/78/37/552237837.db2.gz QBTUVCLAAHJQGD-GFCCVEGCSA-N -1 3 378.491 2.610 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c(Cl)c1 ZINC000183086480 552299753 /nfs/dbraw/zinc/29/97/53/552299753.db2.gz HOTHCJLJIVVNDH-UHFFFAOYSA-N -1 3 391.758 2.736 20 30 GFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)N1CCc2sccc2C1 ZINC000183475917 552310534 /nfs/dbraw/zinc/31/05/34/552310534.db2.gz HTKZIYDYPBEVHZ-LBPRGKRZSA-N -1 3 395.937 2.998 20 30 GFEDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183626219 552315115 /nfs/dbraw/zinc/31/51/15/552315115.db2.gz VMGWCPVFFXRSSN-UHFFFAOYSA-N -1 3 377.853 2.691 20 30 GFEDHM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000186211287 552382169 /nfs/dbraw/zinc/38/21/69/552382169.db2.gz TXVXCPSWQDVRGF-UHFFFAOYSA-N -1 3 383.857 2.993 20 30 GFEDHM COC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C#N)ccc1Br ZINC000565055442 564263902 /nfs/dbraw/zinc/26/39/02/564263902.db2.gz XUMQEQVAHGDZKY-UHFFFAOYSA-N -1 3 389.271 2.917 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000295693717 563258745 /nfs/dbraw/zinc/25/87/45/563258745.db2.gz JKACLFXNPCADTJ-UWVGGRQHSA-N -1 3 388.243 2.718 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000295696459 563258829 /nfs/dbraw/zinc/25/88/29/563258829.db2.gz JQMODPZXMPRZOI-UWVGGRQHSA-N -1 3 388.243 2.718 20 30 GFEDHM COC(=O)c1cnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)[n-]1 ZINC000278656489 563264810 /nfs/dbraw/zinc/26/48/10/563264810.db2.gz MVIGMQHMMFCLFT-UHFFFAOYSA-N -1 3 378.841 2.889 20 30 GFEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000373522919 563340930 /nfs/dbraw/zinc/34/09/30/563340930.db2.gz SUGDBHKBXDZLMF-LBPRGKRZSA-N -1 3 379.873 2.690 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425126740 563405096 /nfs/dbraw/zinc/40/50/96/563405096.db2.gz ICIJZRCFXHVBLL-STQMWFEESA-N -1 3 377.491 2.506 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000425179932 563408184 /nfs/dbraw/zinc/40/81/84/563408184.db2.gz QXCRTQGJGPZUEO-ZFWWWQNUSA-N -1 3 389.901 2.625 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000428408129 563490836 /nfs/dbraw/zinc/49/08/36/563490836.db2.gz SBNQHXYMPOTZNY-GFCCVEGCSA-N -1 3 397.287 2.817 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nccn2C(F)F)c(C(F)(F)F)c1 ZINC000431830898 563569479 /nfs/dbraw/zinc/56/94/79/563569479.db2.gz AGPFYMALWXHEDV-UHFFFAOYSA-N -1 3 380.298 2.647 20 30 GFEDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)CC2(C#N)CCCCC2)c(Cl)c1 ZINC000332609459 563607146 /nfs/dbraw/zinc/60/71/46/563607146.db2.gz KPJQMHOVLQBCFY-UHFFFAOYSA-N -1 3 383.901 2.980 20 30 GFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433858835 563621320 /nfs/dbraw/zinc/62/13/20/563621320.db2.gz LSZFKKVDSRNTFD-UHFFFAOYSA-N -1 3 398.282 2.912 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000333233545 563625250 /nfs/dbraw/zinc/62/52/50/563625250.db2.gz YTODEIHKTAGJQJ-YUELXQCFSA-N -1 3 397.294 2.557 20 30 GFEDHM CSc1nnc(CCC[N-]S(=O)(=O)c2ccc(C#N)s2)n1CC(C)C ZINC000435433338 563650181 /nfs/dbraw/zinc/65/01/81/563650181.db2.gz RKPHYZZVDXLIFH-UHFFFAOYSA-N -1 3 399.567 2.500 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ncc(Cl)cc2Cl)s1 ZINC000435432233 563650310 /nfs/dbraw/zinc/65/03/10/563650310.db2.gz HYKRQRXUBNJKMG-UHFFFAOYSA-N -1 3 378.262 2.679 20 30 GFEDHM CN(Cc1ccccc1)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000435444046 563651097 /nfs/dbraw/zinc/65/10/97/563651097.db2.gz USFQQQTWDZNQRV-KRWDZBQOSA-N -1 3 375.519 2.809 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000416457885 563831349 /nfs/dbraw/zinc/83/13/49/563831349.db2.gz PGGMSOCGUULOAZ-LBPRGKRZSA-N -1 3 375.313 2.885 20 30 GFEDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000563725452 564203639 /nfs/dbraw/zinc/20/36/39/564203639.db2.gz NSRQVNOUKDRQHX-UHFFFAOYSA-N -1 3 389.315 2.930 20 30 GFEDHM N#Cc1cnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000509524422 564303127 /nfs/dbraw/zinc/30/31/27/564303127.db2.gz FGWXHVFADYSXTI-UHFFFAOYSA-N -1 3 389.239 2.790 20 30 GFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000542691405 564320538 /nfs/dbraw/zinc/32/05/38/564320538.db2.gz UZJRFNMOYIXDAS-OAHLLOKOSA-N -1 3 386.807 2.643 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000451912309 564365494 /nfs/dbraw/zinc/36/54/94/564365494.db2.gz SEXLXGYQBXPVJJ-OLZOCXBDSA-N -1 3 381.475 2.700 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511330791 564367468 /nfs/dbraw/zinc/36/74/68/564367468.db2.gz ASVUHUSHZOPDMM-LLVKDONJSA-N -1 3 385.221 2.796 20 30 GFEDHM Cn1ncc2c1ncc(C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c2[O-] ZINC000512028889 564389220 /nfs/dbraw/zinc/38/92/20/564389220.db2.gz RPBOEZNJDSVGBX-LBPRGKRZSA-N -1 3 376.203 2.975 20 30 GFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1I ZINC000545446759 564423543 /nfs/dbraw/zinc/42/35/43/564423543.db2.gz UPELRHLCAIRHGE-SNVBAGLBSA-N -1 3 379.157 2.580 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@]2(Cc3ccc(Cl)cc3)CCOC2)s1 ZINC000548825197 564576779 /nfs/dbraw/zinc/57/67/79/564576779.db2.gz JJEFBYHKAAOIJT-INIZCTEOSA-N -1 3 382.894 2.953 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000520969880 564616836 /nfs/dbraw/zinc/61/68/36/564616836.db2.gz DUZGYKCLDFIFDK-HZPDHXFCSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000550434384 564624129 /nfs/dbraw/zinc/62/41/29/564624129.db2.gz XJLWLRBAPPBLKB-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N=c1[n-]n(C)cc1Br ZINC000521440116 564627591 /nfs/dbraw/zinc/62/75/91/564627591.db2.gz SEJHKJVYFNWYQJ-CQSZACIVSA-N -1 3 377.242 2.518 20 30 GFEDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)ccc21 ZINC000486551274 564656954 /nfs/dbraw/zinc/65/69/54/564656954.db2.gz RCGBXBRVZMVJLJ-UHFFFAOYSA-N -1 3 375.837 2.921 20 30 GFEDHM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000487348959 564683598 /nfs/dbraw/zinc/68/35/98/564683598.db2.gz DZWAKBOAUAKOIK-CYBMUJFWSA-N -1 3 390.502 2.705 20 30 GFEDHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489268375 564734072 /nfs/dbraw/zinc/73/40/72/564734072.db2.gz UTQXDKAVOPQRRY-SSDOTTSWSA-N -1 3 399.284 2.970 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000577596525 564737440 /nfs/dbraw/zinc/73/74/40/564737440.db2.gz JQAAAYRVXPSLTN-SNVBAGLBSA-N -1 3 375.313 2.885 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2)c(Cl)c1 ZINC000490459565 564772471 /nfs/dbraw/zinc/77/24/71/564772471.db2.gz SHQJFDNBXTTYHI-CYBMUJFWSA-N -1 3 379.844 2.908 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccc2F)C1 ZINC000490453790 564772518 /nfs/dbraw/zinc/77/25/18/564772518.db2.gz JMVBJKVPOWHCHN-CQSZACIVSA-N -1 3 379.844 2.908 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000581582628 564809365 /nfs/dbraw/zinc/80/93/65/564809365.db2.gz BRGMYHFPLPHGMZ-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H](O)C(F)(F)F ZINC000497938302 564880394 /nfs/dbraw/zinc/88/03/94/564880394.db2.gz XYJPXVUHCGIGOD-ONGXEEELSA-N -1 3 390.305 2.557 20 30 GFEDHM C=C[C@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000558954833 564918798 /nfs/dbraw/zinc/91/87/98/564918798.db2.gz OVZQOPYPCYLTGR-ZDUSSCGKSA-N -1 3 389.880 2.508 20 30 GFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000503310255 565017775 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2.825 20 30 GFEDHM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(F)c1 ZINC000593583654 565344058 /nfs/dbraw/zinc/34/40/58/565344058.db2.gz WNSGLCPFSHEZMG-MRXNPFEDSA-N -1 3 382.438 2.516 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)CCCC1 ZINC000593620670 565347727 /nfs/dbraw/zinc/34/77/27/565347727.db2.gz RPBGIXGJZMKAKI-UHFFFAOYSA-N -1 3 385.283 2.746 20 30 GFEDHM COCC[C@]1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCOC1 ZINC000594768778 565417837 /nfs/dbraw/zinc/41/78/37/565417837.db2.gz BSOGMGRNOCJUMB-KRWDZBQOSA-N -1 3 380.491 2.555 20 30 GFEDHM COC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@@H]1CCCO1 ZINC000594771274 565419580 /nfs/dbraw/zinc/41/95/80/565419580.db2.gz SMUXTHBDYFMBCS-CABCVRRESA-N -1 3 380.491 2.554 20 30 GFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595334334 565465173 /nfs/dbraw/zinc/46/51/73/565465173.db2.gz XAHDCJWCDAQHJY-UHFFFAOYSA-N -1 3 376.272 2.726 20 30 GFEDHM COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000595419366 565476396 /nfs/dbraw/zinc/47/63/96/565476396.db2.gz ZBGBCTMDBFYXJK-UHFFFAOYSA-N -1 3 378.372 2.602 20 30 GFEDHM C=CC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000628483076 565791578 /nfs/dbraw/zinc/79/15/78/565791578.db2.gz FPFWCOXNTVITSH-NSHDSACASA-N -1 3 377.293 2.696 20 30 GFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000657037130 566210900 /nfs/dbraw/zinc/21/09/00/566210900.db2.gz VFYBSFXYGCDNOS-JSGCOSHPSA-N -1 3 386.901 2.617 20 30 GFEDHM N#C[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737673853 598826282 /nfs/dbraw/zinc/82/62/82/598826282.db2.gz DQDAPGDBNSQSSC-HNNXBMFYSA-N -1 3 384.852 2.993 20 30 GFEDHM N#C[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000737673853 598826283 /nfs/dbraw/zinc/82/62/83/598826283.db2.gz DQDAPGDBNSQSSC-HNNXBMFYSA-N -1 3 384.852 2.993 20 30 GFEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039058 598887756 /nfs/dbraw/zinc/88/77/56/598887756.db2.gz ZHKHQQAAZKDZEE-HBWSCVEGSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039058 598887758 /nfs/dbraw/zinc/88/77/58/598887758.db2.gz ZHKHQQAAZKDZEE-HBWSCVEGSA-N -1 3 375.388 2.762 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735407978 598907459 /nfs/dbraw/zinc/90/74/59/598907459.db2.gz CQCOGMAYYUEELR-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735407978 598907460 /nfs/dbraw/zinc/90/74/60/598907460.db2.gz CQCOGMAYYUEELR-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Br)ccc2F)ccc1-c1nnn[n-]1 ZINC000737708245 598920007 /nfs/dbraw/zinc/92/00/07/598920007.db2.gz DOKWEURYYIINAK-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Br)ccc2F)ccc1-c1nn[n-]n1 ZINC000737708245 598920009 /nfs/dbraw/zinc/92/00/09/598920009.db2.gz DOKWEURYYIINAK-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736235044 598920674 /nfs/dbraw/zinc/92/06/74/598920674.db2.gz LRNQLJIHVOKIEL-BDJLRTHQSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000736235044 598920675 /nfs/dbraw/zinc/92/06/75/598920675.db2.gz LRNQLJIHVOKIEL-BDJLRTHQSA-N -1 3 387.403 2.585 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000736670331 598926164 /nfs/dbraw/zinc/92/61/64/598926164.db2.gz MSHZRNNDAAWIMO-UHFFFAOYSA-N -1 3 384.403 2.739 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000736670331 598926166 /nfs/dbraw/zinc/92/61/66/598926166.db2.gz MSHZRNNDAAWIMO-UHFFFAOYSA-N -1 3 384.403 2.739 20 30 GFEDHM COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(SC)cc1OC ZINC000821712609 607254508 /nfs/dbraw/zinc/25/45/08/607254508.db2.gz JHDAEVJUQRVNPZ-UHFFFAOYSA-N -1 3 384.465 2.730 20 30 GFEDHM COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(SC)cc1OC ZINC000821712609 607254509 /nfs/dbraw/zinc/25/45/09/607254509.db2.gz JHDAEVJUQRVNPZ-UHFFFAOYSA-N -1 3 384.465 2.730 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)cn1 ZINC000737711155 598991145 /nfs/dbraw/zinc/99/11/45/598991145.db2.gz FMNPQQREKDMRJC-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)cn1 ZINC000737711155 598991146 /nfs/dbraw/zinc/99/11/46/598991146.db2.gz FMNPQQREKDMRJC-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000736482145 598998285 /nfs/dbraw/zinc/99/82/85/598998285.db2.gz VHJFBCMVVXDAGH-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000736482145 598998286 /nfs/dbraw/zinc/99/82/86/598998286.db2.gz VHJFBCMVVXDAGH-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000736507544 598998630 /nfs/dbraw/zinc/99/86/30/598998630.db2.gz FFALDAUXIRYCLO-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000736507544 598998632 /nfs/dbraw/zinc/99/86/32/598998632.db2.gz FFALDAUXIRYCLO-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM N#Cc1cnc2c(F)ccc(F)c2c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822842589 599071139 /nfs/dbraw/zinc/07/11/39/599071139.db2.gz PFNIYXFCWAVQTN-UHFFFAOYSA-N -1 3 381.321 2.738 20 30 GFEDHM N#Cc1cnc2c(F)ccc(F)c2c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822842589 599071142 /nfs/dbraw/zinc/07/11/42/599071142.db2.gz PFNIYXFCWAVQTN-UHFFFAOYSA-N -1 3 381.321 2.738 20 30 GFEDHM Cc1ccc(-c2cnc(CSc3nc(N)c(C#N)cc3-c3nnn[n-]3)o2)cc1 ZINC000822213911 599123985 /nfs/dbraw/zinc/12/39/85/599123985.db2.gz GRCQIOXWQJRYPE-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM Cc1ccc(-c2cnc(CSc3nc(N)c(C#N)cc3-c3nn[n-]n3)o2)cc1 ZINC000822213911 599123988 /nfs/dbraw/zinc/12/39/88/599123988.db2.gz GRCQIOXWQJRYPE-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM N#Cc1ccc(S[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000737721696 599174885 /nfs/dbraw/zinc/17/48/85/599174885.db2.gz BYIALJMYMZODGF-INIZCTEOSA-N -1 3 380.408 2.775 20 30 GFEDHM N#Cc1ccc(S[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000737721696 599174888 /nfs/dbraw/zinc/17/48/88/599174888.db2.gz BYIALJMYMZODGF-INIZCTEOSA-N -1 3 380.408 2.775 20 30 GFEDHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737191780 599193698 /nfs/dbraw/zinc/19/36/98/599193698.db2.gz VKMCWXCLIIZFME-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737191780 599193701 /nfs/dbraw/zinc/19/37/01/599193701.db2.gz VKMCWXCLIIZFME-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c12 ZINC000737546104 599199735 /nfs/dbraw/zinc/19/97/35/599199735.db2.gz KXOQFSRNLNSCPM-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c12 ZINC000737546104 599199737 /nfs/dbraw/zinc/19/97/37/599199737.db2.gz KXOQFSRNLNSCPM-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735410125 599217883 /nfs/dbraw/zinc/21/78/83/599217883.db2.gz UVXPEVYQTUHIQX-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735410125 599217884 /nfs/dbraw/zinc/21/78/84/599217884.db2.gz UVXPEVYQTUHIQX-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CCNc1ncc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819751052 607263379 /nfs/dbraw/zinc/26/33/79/607263379.db2.gz NOKMTNGTOQUYKH-UHFFFAOYSA-N -1 3 386.437 2.547 20 30 GFEDHM C=CCNc1ncc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819751052 607263380 /nfs/dbraw/zinc/26/33/80/607263380.db2.gz NOKMTNGTOQUYKH-UHFFFAOYSA-N -1 3 386.437 2.547 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736487863 599276968 /nfs/dbraw/zinc/27/69/68/599276968.db2.gz JCPRUCMGUIKJPI-ZDUSSCGKSA-N -1 3 391.435 2.966 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736487863 599276969 /nfs/dbraw/zinc/27/69/69/599276969.db2.gz JCPRUCMGUIKJPI-ZDUSSCGKSA-N -1 3 391.435 2.966 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cn2cccc(C)c2n1 ZINC000735420278 598286297 /nfs/dbraw/zinc/28/62/97/598286297.db2.gz OBKACGOXJAMHRC-UHFFFAOYSA-N -1 3 387.447 2.580 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cn2cccc(C)c2n1 ZINC000735420278 598286298 /nfs/dbraw/zinc/28/62/98/598286298.db2.gz OBKACGOXJAMHRC-UHFFFAOYSA-N -1 3 387.447 2.580 20 30 GFEDHM COCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737015224 598377155 /nfs/dbraw/zinc/37/71/55/598377155.db2.gz MXLPJLVOSGIHMF-CMDGGOBGSA-N -1 3 393.447 2.844 20 30 GFEDHM COCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737015224 598377156 /nfs/dbraw/zinc/37/71/56/598377156.db2.gz MXLPJLVOSGIHMF-CMDGGOBGSA-N -1 3 393.447 2.844 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737348450 598384865 /nfs/dbraw/zinc/38/48/65/598384865.db2.gz ZZHBDAYLSATNMN-OAHLLOKOSA-N -1 3 376.420 2.889 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735387995 598417663 /nfs/dbraw/zinc/41/76/63/598417663.db2.gz NRTWXDSFZVIPKV-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735387995 598417664 /nfs/dbraw/zinc/41/76/64/598417664.db2.gz NRTWXDSFZVIPKV-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735387948 598417761 /nfs/dbraw/zinc/41/77/61/598417761.db2.gz MCVSTINTOLRLHL-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)c1 ZINC000737730491 598444993 /nfs/dbraw/zinc/44/49/93/598444993.db2.gz LSXKLTHTDSMLLV-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)c1 ZINC000737730491 598444994 /nfs/dbraw/zinc/44/49/94/598444994.db2.gz LSXKLTHTDSMLLV-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737730180 598453282 /nfs/dbraw/zinc/45/32/82/598453282.db2.gz HEWOKWZAGWSHKK-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737730180 598453284 /nfs/dbraw/zinc/45/32/84/598453284.db2.gz HEWOKWZAGWSHKK-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735690130 598549045 /nfs/dbraw/zinc/54/90/45/598549045.db2.gz HIOXIZXZOIBODU-LJQANCHMSA-N -1 3 380.408 2.707 20 30 GFEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)o1 ZINC000737727413 598662123 /nfs/dbraw/zinc/66/21/23/598662123.db2.gz LFRVWGVFHYSWOD-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)o1 ZINC000737727413 598662125 /nfs/dbraw/zinc/66/21/25/598662125.db2.gz LFRVWGVFHYSWOD-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM C=CCNC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000735431836 598772065 /nfs/dbraw/zinc/77/20/65/598772065.db2.gz JEWUBMNBYRUGDS-NSHDSACASA-N -1 3 396.476 2.793 20 30 GFEDHM S=C(NCc1ccccc1)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823732010 599333116 /nfs/dbraw/zinc/33/31/16/599333116.db2.gz IHFSYAPTUDCZSP-UHFFFAOYSA-N -1 3 377.477 2.571 20 30 GFEDHM S=C(NCc1ccccc1)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823732010 599333118 /nfs/dbraw/zinc/33/31/18/599333118.db2.gz IHFSYAPTUDCZSP-UHFFFAOYSA-N -1 3 377.477 2.571 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cnn1-c1ccccc1 ZINC000737202114 599461173 /nfs/dbraw/zinc/46/11/73/599461173.db2.gz KDEGSBOGAXZGLX-CMDGGOBGSA-N -1 3 396.414 2.905 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cnn1-c1ccccc1 ZINC000737202114 599461174 /nfs/dbraw/zinc/46/11/74/599461174.db2.gz KDEGSBOGAXZGLX-CMDGGOBGSA-N -1 3 396.414 2.905 20 30 GFEDHM CCO[C@@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC000736619814 599476277 /nfs/dbraw/zinc/47/62/77/599476277.db2.gz ZTHGOZDIIYGIID-QMMMGPOBSA-N -1 3 388.482 2.562 20 30 GFEDHM CCO[C@@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC000736619814 599476279 /nfs/dbraw/zinc/47/62/79/599476279.db2.gz ZTHGOZDIIYGIID-QMMMGPOBSA-N -1 3 388.482 2.562 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822830198 599633131 /nfs/dbraw/zinc/63/31/31/599633131.db2.gz WSXURHSEDAZYIG-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822830198 599633132 /nfs/dbraw/zinc/63/31/32/599633132.db2.gz WSXURHSEDAZYIG-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000819743706 599676810 /nfs/dbraw/zinc/67/68/10/599676810.db2.gz OUSDKVWQTRJZQP-SFHVURJKSA-N -1 3 390.447 2.957 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000819743706 599676811 /nfs/dbraw/zinc/67/68/11/599676811.db2.gz OUSDKVWQTRJZQP-SFHVURJKSA-N -1 3 390.447 2.957 20 30 GFEDHM N#Cc1ccc(CSCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384808 607427485 /nfs/dbraw/zinc/42/74/85/607427485.db2.gz KLRZAZDHAUYMIR-UHFFFAOYSA-N -1 3 390.472 2.777 20 30 GFEDHM N#Cc1ccc(CSCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384808 607427487 /nfs/dbraw/zinc/42/74/87/607427487.db2.gz KLRZAZDHAUYMIR-UHFFFAOYSA-N -1 3 390.472 2.777 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734335 607439001 /nfs/dbraw/zinc/43/90/01/607439001.db2.gz MFCCTMFROCIPPV-KRWDZBQOSA-N -1 3 376.420 2.629 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734335 607439002 /nfs/dbraw/zinc/43/90/02/607439002.db2.gz MFCCTMFROCIPPV-KRWDZBQOSA-N -1 3 376.420 2.629 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821692913 607457622 /nfs/dbraw/zinc/45/76/22/607457622.db2.gz JAPNCDDVKJKMNW-ALCCZGGFSA-N -1 3 398.394 2.936 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821692913 607457625 /nfs/dbraw/zinc/45/76/25/607457625.db2.gz JAPNCDDVKJKMNW-ALCCZGGFSA-N -1 3 398.394 2.936 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000832389315 601236633 /nfs/dbraw/zinc/23/66/33/601236633.db2.gz RGPOBOUXRZZGHE-DMDPSCGWSA-N -1 3 378.812 2.887 20 30 GFEDHM CCCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358973 602544657 /nfs/dbraw/zinc/54/46/57/602544657.db2.gz SXSFHUMESVXFDB-HOTGVXAUSA-N -1 3 393.447 2.688 20 30 GFEDHM COc1ccc(COC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826204288 607613182 /nfs/dbraw/zinc/61/31/82/607613182.db2.gz FPXSMWPKHLATQT-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM COc1ccc(COC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826204288 607613183 /nfs/dbraw/zinc/61/31/83/607613183.db2.gz FPXSMWPKHLATQT-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM C=CCN1CCC(NC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC1 ZINC000833377012 605132247 /nfs/dbraw/zinc/13/22/47/605132247.db2.gz JTLDAMCTJVPCDU-UHFFFAOYSA-N -1 3 382.258 2.919 20 30 GFEDHM CCN(CCC#N)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000821206551 606080281 /nfs/dbraw/zinc/08/02/81/606080281.db2.gz CVFOPWXXCQRQHF-LBPRGKRZSA-N -1 3 387.513 2.760 20 30 GFEDHM CCN(CCC#N)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000821206551 606080287 /nfs/dbraw/zinc/08/02/87/606080287.db2.gz CVFOPWXXCQRQHF-LBPRGKRZSA-N -1 3 387.513 2.760 20 30 GFEDHM Cc1sc(NC(=O)CN(CCC#N)CCC(C)C)c(-c2nnn[n-]2)c1C ZINC000822557733 606114525 /nfs/dbraw/zinc/11/45/25/606114525.db2.gz JSJPWMBDSFNIAQ-UHFFFAOYSA-N -1 3 375.502 2.745 20 30 GFEDHM Cc1sc(NC(=O)CN(CCC#N)CCC(C)C)c(-c2nn[n-]n2)c1C ZINC000822557733 606114526 /nfs/dbraw/zinc/11/45/26/606114526.db2.gz JSJPWMBDSFNIAQ-UHFFFAOYSA-N -1 3 375.502 2.745 20 30 GFEDHM N#CCCN(CC1CC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822806187 606154098 /nfs/dbraw/zinc/15/40/98/606154098.db2.gz KNQQPHFPVQKANO-UHFFFAOYSA-N -1 3 377.355 2.626 20 30 GFEDHM N#CCCN(CC1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822806187 606154099 /nfs/dbraw/zinc/15/40/99/606154099.db2.gz KNQQPHFPVQKANO-UHFFFAOYSA-N -1 3 377.355 2.626 20 30 GFEDHM CN(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000821579888 606175356 /nfs/dbraw/zinc/17/53/56/606175356.db2.gz RCRCEULBOMDIGG-MRXNPFEDSA-N -1 3 399.817 2.772 20 30 GFEDHM CN(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000821579888 606175358 /nfs/dbraw/zinc/17/53/58/606175358.db2.gz RCRCEULBOMDIGG-MRXNPFEDSA-N -1 3 399.817 2.772 20 30 GFEDHM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C1=O ZINC000821051126 606203397 /nfs/dbraw/zinc/20/33/97/606203397.db2.gz YKRZVPYRPDMDOI-QGZVFWFLSA-N -1 3 389.485 2.933 20 30 GFEDHM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C1=O ZINC000821051126 606203399 /nfs/dbraw/zinc/20/33/99/606203399.db2.gz YKRZVPYRPDMDOI-QGZVFWFLSA-N -1 3 389.485 2.933 20 30 GFEDHM N#Cc1ccsc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000822842305 606243917 /nfs/dbraw/zinc/24/39/17/606243917.db2.gz BCLNVPAAVQTGAB-CYBMUJFWSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1ccsc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000822842305 606243919 /nfs/dbraw/zinc/24/39/19/606243919.db2.gz BCLNVPAAVQTGAB-CYBMUJFWSA-N -1 3 385.840 2.671 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822801305 606299682 /nfs/dbraw/zinc/29/96/82/606299682.db2.gz GVZPZNWLCBVELS-KXBFYZLASA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822801305 606299683 /nfs/dbraw/zinc/29/96/83/606299683.db2.gz GVZPZNWLCBVELS-KXBFYZLASA-N -1 3 388.431 2.868 20 30 GFEDHM Cc1cc(C)c(C#N)c(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000822192867 606310716 /nfs/dbraw/zinc/31/07/16/606310716.db2.gz DEUJNJWGRYWLDO-ZDUSSCGKSA-N -1 3 397.489 2.709 20 30 GFEDHM Cc1cc(C)c(C#N)c(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822192867 606310717 /nfs/dbraw/zinc/31/07/17/606310717.db2.gz DEUJNJWGRYWLDO-ZDUSSCGKSA-N -1 3 397.489 2.709 20 30 GFEDHM COCCOc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000821693705 606339482 /nfs/dbraw/zinc/33/94/82/606339482.db2.gz KCQZEOLUJSGLHT-KTKRTIGZSA-N -1 3 393.447 2.844 20 30 GFEDHM COCCOc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000821693705 606339483 /nfs/dbraw/zinc/33/94/83/606339483.db2.gz KCQZEOLUJSGLHT-KTKRTIGZSA-N -1 3 393.447 2.844 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822802345 606445599 /nfs/dbraw/zinc/44/55/99/606445599.db2.gz ZMXQPUSKGXZNAQ-RBUKOAKNSA-N -1 3 387.447 2.577 20 30 GFEDHM CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821394137 606495354 /nfs/dbraw/zinc/49/53/54/606495354.db2.gz HTDXZELAYNBLHW-UHFFFAOYSA-N -1 3 383.795 2.939 20 30 GFEDHM CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821394137 606495356 /nfs/dbraw/zinc/49/53/56/606495356.db2.gz HTDXZELAYNBLHW-UHFFFAOYSA-N -1 3 383.795 2.939 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822800978 606505449 /nfs/dbraw/zinc/50/54/49/606505449.db2.gz CQXQJNUJHIQIQZ-OALUTQOASA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822800978 606505450 /nfs/dbraw/zinc/50/54/50/606505450.db2.gz CQXQJNUJHIQIQZ-OALUTQOASA-N -1 3 387.447 2.577 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)Cc1ccncc1 ZINC000819744083 606602643 /nfs/dbraw/zinc/60/26/43/606602643.db2.gz VQJQBMSNYORZCD-OAHLLOKOSA-N -1 3 377.452 2.591 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)Cc1ccncc1 ZINC000819744083 606602645 /nfs/dbraw/zinc/60/26/45/606602645.db2.gz VQJQBMSNYORZCD-OAHLLOKOSA-N -1 3 377.452 2.591 20 30 GFEDHM COC[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821681543 606747437 /nfs/dbraw/zinc/74/74/37/606747437.db2.gz NGRFDKRBOMWADQ-FZMZJTMJSA-N -1 3 382.449 2.839 20 30 GFEDHM COC[C@@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821681543 606747438 /nfs/dbraw/zinc/74/74/38/606747438.db2.gz NGRFDKRBOMWADQ-FZMZJTMJSA-N -1 3 382.449 2.839 20 30 GFEDHM N#Cc1cccc(OCCCSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837668 606841668 /nfs/dbraw/zinc/84/16/68/606841668.db2.gz QWQCUOLIHOTNOR-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM N#Cc1cccc(OCCCSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837668 606841670 /nfs/dbraw/zinc/84/16/70/606841670.db2.gz QWQCUOLIHOTNOR-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM N#Cc1cccc(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822836998 606841791 /nfs/dbraw/zinc/84/17/91/606841791.db2.gz DPHSDQXYJZAERX-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM N#Cc1cccc(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822836998 606841792 /nfs/dbraw/zinc/84/17/92/606841792.db2.gz DPHSDQXYJZAERX-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000819759026 606988194 /nfs/dbraw/zinc/98/81/94/606988194.db2.gz LLCRDZRMBQFBGH-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000819759026 606988196 /nfs/dbraw/zinc/98/81/96/606988196.db2.gz LLCRDZRMBQFBGH-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000819759194 606993405 /nfs/dbraw/zinc/99/34/05/606993405.db2.gz PURKVBSBSDOKDU-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000819759194 606993407 /nfs/dbraw/zinc/99/34/07/606993407.db2.gz PURKVBSBSDOKDU-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822829728 606999299 /nfs/dbraw/zinc/99/92/99/606999299.db2.gz GIJCNIWIHMXPJZ-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822829728 606999301 /nfs/dbraw/zinc/99/93/01/606999301.db2.gz GIJCNIWIHMXPJZ-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1cnc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)s1 ZINC000822842625 607110192 /nfs/dbraw/zinc/11/01/92/607110192.db2.gz QVPHYLQMBZDEDM-UHFFFAOYSA-N -1 3 393.388 2.619 20 30 GFEDHM N#Cc1cnc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)s1 ZINC000822842625 607110194 /nfs/dbraw/zinc/11/01/94/607110194.db2.gz QVPHYLQMBZDEDM-UHFFFAOYSA-N -1 3 393.388 2.619 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)OCC ZINC000823873993 607908664 /nfs/dbraw/zinc/90/86/64/607908664.db2.gz QUSQVGYQWNMQDR-OAHLLOKOSA-N -1 3 388.428 2.745 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)OCC ZINC000823873993 607908665 /nfs/dbraw/zinc/90/86/65/607908665.db2.gz QUSQVGYQWNMQDR-OAHLLOKOSA-N -1 3 388.428 2.745 20 30 GFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCC#N)c(OC)c1 ZINC000825783009 607975759 /nfs/dbraw/zinc/97/57/59/607975759.db2.gz YXLIAJLEBMXXTK-UHFFFAOYSA-N -1 3 375.392 2.814 20 30 GFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCC#N)c(OC)c1 ZINC000825783009 607975760 /nfs/dbraw/zinc/97/57/60/607975760.db2.gz YXLIAJLEBMXXTK-UHFFFAOYSA-N -1 3 375.392 2.814 20 30 GFEDHM C=CCCC(=O)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823888744 608057036 /nfs/dbraw/zinc/05/70/36/608057036.db2.gz VEHDQXSFWBFESL-UHFFFAOYSA-N -1 3 379.376 2.746 20 30 GFEDHM C=CCCC(=O)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823888744 608057037 /nfs/dbraw/zinc/05/70/37/608057037.db2.gz VEHDQXSFWBFESL-UHFFFAOYSA-N -1 3 379.376 2.746 20 30 GFEDHM Clc1ccccc1C#CCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826353452 608067602 /nfs/dbraw/zinc/06/76/02/608067602.db2.gz PQCOGHOWPQJBGU-LJQANCHMSA-N -1 3 379.851 2.945 20 30 GFEDHM Clc1ccccc1C#CCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353452 608067603 /nfs/dbraw/zinc/06/76/03/608067603.db2.gz PQCOGHOWPQJBGU-LJQANCHMSA-N -1 3 379.851 2.945 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000823910220 608119996 /nfs/dbraw/zinc/11/99/96/608119996.db2.gz ZMDKVCOHKUHGEH-CYBMUJFWSA-N -1 3 379.468 2.915 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000823910220 608119997 /nfs/dbraw/zinc/11/99/97/608119997.db2.gz ZMDKVCOHKUHGEH-CYBMUJFWSA-N -1 3 379.468 2.915 20 30 GFEDHM Cc1c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)nnn1-c1ccccc1 ZINC000823958345 608538724 /nfs/dbraw/zinc/53/87/24/608538724.db2.gz KHHPOQDXYBMSNN-UHFFFAOYSA-N -1 3 394.830 2.640 20 30 GFEDHM Cc1c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)nnn1-c1ccccc1 ZINC000823958345 608538726 /nfs/dbraw/zinc/53/87/26/608538726.db2.gz KHHPOQDXYBMSNN-UHFFFAOYSA-N -1 3 394.830 2.640 20 30 GFEDHM CC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212938 608856852 /nfs/dbraw/zinc/85/68/52/608856852.db2.gz VADHXQKPTCPUJS-CABCVRRESA-N -1 3 395.467 2.799 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826379793 609141576 /nfs/dbraw/zinc/14/15/76/609141576.db2.gz BQEASMVUNYKQFY-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826379793 609141577 /nfs/dbraw/zinc/14/15/77/609141577.db2.gz BQEASMVUNYKQFY-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM N#Cc1cc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c2ccccc2n1 ZINC000826384397 609166974 /nfs/dbraw/zinc/16/69/74/609166974.db2.gz TWWMVYUOGIJDPI-UHFFFAOYSA-N -1 3 393.414 2.711 20 30 GFEDHM N#Cc1cc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c2ccccc2n1 ZINC000826384397 609166975 /nfs/dbraw/zinc/16/69/75/609166975.db2.gz TWWMVYUOGIJDPI-UHFFFAOYSA-N -1 3 393.414 2.711 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3c(-c4nnn[n-]4)cnc4ccccc43)n2)c1 ZINC000826386490 609167009 /nfs/dbraw/zinc/16/70/09/609167009.db2.gz HKAMWNHDQGXODB-UHFFFAOYSA-N -1 3 393.414 2.711 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3c(-c4nn[n-]n4)cnc4ccccc43)n2)c1 ZINC000826386490 609167010 /nfs/dbraw/zinc/16/70/10/609167010.db2.gz HKAMWNHDQGXODB-UHFFFAOYSA-N -1 3 393.414 2.711 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])cc1OC ZINC000826178954 609271579 /nfs/dbraw/zinc/27/15/79/609271579.db2.gz SARGPLJRQKGDMG-GQCTYLIASA-N -1 3 399.338 2.827 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])cc1OC ZINC000826178954 609271580 /nfs/dbraw/zinc/27/15/80/609271580.db2.gz SARGPLJRQKGDMG-GQCTYLIASA-N -1 3 399.338 2.827 20 30 GFEDHM CC(C)n1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000824371528 609309138 /nfs/dbraw/zinc/30/91/38/609309138.db2.gz 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COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(OC)c1OC ZINC000826178718 609473788 /nfs/dbraw/zinc/47/37/88/609473788.db2.gz JNDKQPBQSYVLDW-UHFFFAOYSA-N -1 3 388.815 2.992 20 30 GFEDHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1C#N ZINC000825553702 609490445 /nfs/dbraw/zinc/49/04/45/609490445.db2.gz UWPSPJYAJVHBKU-UHFFFAOYSA-N -1 3 393.407 2.927 20 30 GFEDHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1C#N ZINC000825553702 609490447 /nfs/dbraw/zinc/49/04/47/609490447.db2.gz UWPSPJYAJVHBKU-UHFFFAOYSA-N -1 3 393.407 2.927 20 30 GFEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942962 609501533 /nfs/dbraw/zinc/50/15/33/609501533.db2.gz LWVDLPZSKGOWQJ-DHZHZOJOSA-N -1 3 375.348 2.689 20 30 GFEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942962 609501536 /nfs/dbraw/zinc/50/15/36/609501536.db2.gz LWVDLPZSKGOWQJ-DHZHZOJOSA-N -1 3 375.348 2.689 20 30 GFEDHM Cc1cc(C(=O)Nc2sccc2C#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260960 609509533 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C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000823887848 609546627 /nfs/dbraw/zinc/54/66/27/609546627.db2.gz ABYPOCVAMUJBLH-CQSZACIVSA-N -1 3 390.856 2.511 20 30 GFEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000823887848 609546629 /nfs/dbraw/zinc/54/66/29/609546629.db2.gz ABYPOCVAMUJBLH-CQSZACIVSA-N -1 3 390.856 2.511 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2=O)cc1 ZINC000826385637 609575470 /nfs/dbraw/zinc/57/54/70/609575470.db2.gz VCGAVWYJVYFSPI-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2=O)cc1 ZINC000826385637 609575471 /nfs/dbraw/zinc/57/54/71/609575471.db2.gz VCGAVWYJVYFSPI-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1Cl ZINC000826385538 609575901 /nfs/dbraw/zinc/57/59/01/609575901.db2.gz QFGWNSGROZMQPT-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1Cl ZINC000826385538 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GFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000856200979 662024364 /nfs/dbraw/zinc/02/43/64/662024364.db2.gz YACUXDYIBMZLPU-MELADBBJSA-N -1 3 383.901 2.502 20 30 GFEDHM O=C(Nc1ccc(C(F)(F)F)cc1Br)N[C@H]1CCCN([O-])C1=O ZINC000879022561 662913546 /nfs/dbraw/zinc/91/35/46/662913546.db2.gz SKUBRWIVHPXGBG-JTQLQIEISA-N -1 3 396.163 2.970 20 30 GFEDHM C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)C1CCOCC1 ZINC000901378587 663734770 /nfs/dbraw/zinc/73/47/70/663734770.db2.gz NGJUIVIWJJAFFJ-JTQLQIEISA-N -1 3 396.292 2.694 20 30 GFEDHM CCOc1cc(C=NN2C(=O)N[C@](C)(CC)C2=O)cc(Br)c1[O-] ZINC000916330745 664457582 /nfs/dbraw/zinc/45/75/82/664457582.db2.gz NXEAHSAIOJOLII-OAHLLOKOSA-N -1 3 384.230 2.608 20 30 GFEDHM CC(=NNS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1[O-] ZINC000920383743 664525611 /nfs/dbraw/zinc/52/56/11/664525611.db2.gz OSNINLUDDJHXOI-UHFFFAOYSA-N -1 3 383.267 2.998 20 30 GFEDHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccsc1 ZINC000121152891 551228348 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COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1Br ZINC000191804690 552538340 /nfs/dbraw/zinc/53/83/40/552538340.db2.gz JMVZRLDTWOEQFK-UHFFFAOYSA-N -1 3 395.234 2.908 20 30 GFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1I ZINC000232213974 553066166 /nfs/dbraw/zinc/06/61/66/553066166.db2.gz CMYQXBIVTMJGMM-MRVPVSSYSA-N -1 3 384.626 2.988 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000248557909 553131003 /nfs/dbraw/zinc/13/10/03/553131003.db2.gz LXXYGRUEYVGTFN-FUHWJXTLSA-N -1 3 375.881 2.935 20 30 GFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1COc2cc(F)c(Br)cc21 ZINC000295992028 563270788 /nfs/dbraw/zinc/27/07/88/563270788.db2.gz LPVSBTXNRFUKNT-GFCCVEGCSA-N -1 3 391.262 2.881 20 30 GFEDHM O=S(=O)([N-]Cc1noc(C(F)(F)F)n1)c1cc(C(F)(F)F)ccc1F ZINC000279499239 563298480 /nfs/dbraw/zinc/29/84/80/563298480.db2.gz QEKYDXBGULRNMR-UHFFFAOYSA-N -1 3 393.240 2.725 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000373020013 563325623 /nfs/dbraw/zinc/32/56/23/563325623.db2.gz ASMMORQAQWCWDB-UHFFFAOYSA-N -1 3 376.869 2.554 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000280772781 563353379 /nfs/dbraw/zinc/35/33/79/563353379.db2.gz OOYRDFBSKRHWGW-MEDUHNTESA-N -1 3 390.864 2.697 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000305503772 563433978 /nfs/dbraw/zinc/43/39/78/563433978.db2.gz ISWFQUONXPANFS-UHFFFAOYSA-N -1 3 399.104 2.693 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2cccc(Br)c2)CC1 ZINC000428270780 563487147 /nfs/dbraw/zinc/48/71/47/563487147.db2.gz VTVXAQRJAPIHMK-UHFFFAOYSA-N -1 3 392.278 2.726 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC[C@@H]1O ZINC000330676714 563517806 /nfs/dbraw/zinc/51/78/06/563517806.db2.gz UMSMTABDYFBJLQ-GJZGRUSLSA-N -1 3 387.299 2.540 20 30 GFEDHM CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443020839 563787984 /nfs/dbraw/zinc/78/79/84/563787984.db2.gz SFBUMLZJWQBDCA-HNNXBMFYSA-N -1 3 377.897 2.663 20 30 GFEDHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443025618 563788046 /nfs/dbraw/zinc/78/80/46/563788046.db2.gz WHNWEUCELAYNAM-QGZVFWFLSA-N -1 3 377.897 2.663 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000443090975 563791146 /nfs/dbraw/zinc/79/11/46/563791146.db2.gz GJMZOQPTEURVHN-KRWDZBQOSA-N -1 3 377.897 2.663 20 30 GFEDHM COCc1nc(C[N-]S(=O)(=O)CC2(C#N)CC2)c(-c2ccccc2)s1 ZINC000443227510 563796748 /nfs/dbraw/zinc/79/67/48/563796748.db2.gz PTTGXHXFMPRMGY-UHFFFAOYSA-N -1 3 377.491 2.680 20 30 GFEDHM N#Cc1cc2c(nc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC000443892971 563813645 /nfs/dbraw/zinc/81/36/45/563813645.db2.gz BABKORRFRKLJKJ-UHFFFAOYSA-N -1 3 382.898 2.547 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000508066461 564251470 /nfs/dbraw/zinc/25/14/70/564251470.db2.gz BUEYWXDKIQHFPU-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475785820 564320222 /nfs/dbraw/zinc/32/02/22/564320222.db2.gz GHBQNOZYAYYSLW-ZIAGYGMSSA-N -1 3 383.901 2.573 20 30 GFEDHM C[C@@H](CC#N)N(C)S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000451896742 564363599 /nfs/dbraw/zinc/36/35/99/564363599.db2.gz BTKWGCPOAHVKGG-UONOGXRCSA-N -1 3 375.535 2.591 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CCCCC1 ZINC000451942967 564370471 /nfs/dbraw/zinc/37/04/71/564370471.db2.gz USZSWHHSZXTELS-UHFFFAOYSA-N -1 3 375.487 2.787 20 30 GFEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)C(=O)OCC ZINC000451997253 564378981 /nfs/dbraw/zinc/37/89/81/564378981.db2.gz QZNRMWRCPGKBQO-CQSZACIVSA-N -1 3 390.299 2.766 20 30 GFEDHM CC1(C)CCCN1CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452082435 564389888 /nfs/dbraw/zinc/38/98/88/564389888.db2.gz FSFQHWXMBAZHSZ-UHFFFAOYSA-N -1 3 375.416 2.730 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000546779399 564467943 /nfs/dbraw/zinc/46/79/43/564467943.db2.gz GOTAHQZHQKQHRN-CQSZACIVSA-N -1 3 376.400 2.742 20 30 GFEDHM CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000486688054 564663080 /nfs/dbraw/zinc/66/30/80/564663080.db2.gz WUYZBVVQJXOMMK-UHFFFAOYSA-N -1 3 378.372 2.587 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](CO)CC1CCCC1 ZINC000553871512 564742771 /nfs/dbraw/zinc/74/27/71/564742771.db2.gz NIEIBWQIALBXKW-LBPRGKRZSA-N -1 3 387.299 2.540 20 30 GFEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529424997 564835038 /nfs/dbraw/zinc/83/50/38/564835038.db2.gz IVFYAQUCUXTCMT-STQMWFEESA-N -1 3 375.252 2.549 20 30 GFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2 ZINC000463507686 564883182 /nfs/dbraw/zinc/88/31/82/564883182.db2.gz RJFCFEJGXPHEHL-UHFFFAOYSA-N -1 3 380.809 2.792 20 30 GFEDHM N#CC1(CNC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)CC1 ZINC000559675255 564939020 /nfs/dbraw/zinc/93/90/20/564939020.db2.gz GFTIFZZQZPWDRO-UHFFFAOYSA-N -1 3 380.629 2.978 20 30 GFEDHM N#CC1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])CC1 ZINC000559675255 564939024 /nfs/dbraw/zinc/93/90/24/564939024.db2.gz GFTIFZZQZPWDRO-UHFFFAOYSA-N -1 3 380.629 2.978 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561466173 564996415 /nfs/dbraw/zinc/99/64/15/564996415.db2.gz OJAXYMXIXUQCSZ-HOCLYGCPSA-N -1 3 383.445 2.622 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)c1 ZINC000561562336 565002963 /nfs/dbraw/zinc/00/29/63/565002963.db2.gz OUYHRFAOSJIMRD-GFCCVEGCSA-N -1 3 385.272 2.919 20 30 GFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000657147569 565078056 /nfs/dbraw/zinc/07/80/56/565078056.db2.gz APKRHINVQSPWHA-UHFFFAOYSA-N -1 3 398.706 2.982 20 30 GFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000614493821 565116910 /nfs/dbraw/zinc/11/69/10/565116910.db2.gz LXMYHFKDUOASSS-ZFWWWQNUSA-N -1 3 386.901 2.972 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)c(Br)c1 ZINC000590165656 565180310 /nfs/dbraw/zinc/18/03/10/565180310.db2.gz BOKXQFXEOSSASV-SECBINFHSA-N -1 3 384.230 2.894 20 30 GFEDHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461802 565342327 /nfs/dbraw/zinc/34/23/27/565342327.db2.gz KNJHLOFTMWQNNG-UHFFFAOYSA-N -1 3 399.881 2.578 20 30 GFEDHM COC(=O)[C@@](C)([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594755703 565415792 /nfs/dbraw/zinc/41/57/92/565415792.db2.gz ZBRWWIHIGRXQNG-KRWDZBQOSA-N -1 3 378.475 2.701 20 30 GFEDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)COCc1ccccc1 ZINC000594820393 565426255 /nfs/dbraw/zinc/42/62/55/565426255.db2.gz UVAPKTPMUDJCSA-KRWDZBQOSA-N -1 3 380.491 2.520 20 30 GFEDHM COc1ccsc1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594865991 565432745 /nfs/dbraw/zinc/43/27/45/565432745.db2.gz VOSWASRZPFSQBH-UHFFFAOYSA-N -1 3 378.475 2.613 20 30 GFEDHM N#Cc1ccc(CCN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000595287509 565460624 /nfs/dbraw/zinc/46/06/24/565460624.db2.gz JDFGMKOOEKNUHY-UHFFFAOYSA-N -1 3 375.519 2.605 20 30 GFEDHM Cc1[nH]nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Br ZINC000597732308 565573177 /nfs/dbraw/zinc/57/31/77/565573177.db2.gz VIYFPGOMYBVGCJ-UHFFFAOYSA-N -1 3 378.230 2.641 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2sccc2Br)c(F)c1 ZINC000610084040 566066043 /nfs/dbraw/zinc/06/60/43/566066043.db2.gz YBWHADRSXVUJDS-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000611015880 566111002 /nfs/dbraw/zinc/11/10/02/566111002.db2.gz ZSIFSIXHHAIAIF-UHFFFAOYSA-N -1 3 383.901 2.527 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000681688285 566122709 /nfs/dbraw/zinc/12/27/09/566122709.db2.gz KJFXZTYAKUPUSK-OAHLLOKOSA-N -1 3 389.901 2.769 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737525575 598858730 /nfs/dbraw/zinc/85/87/30/598858730.db2.gz SZBQESMTVMUEGR-LBPRGKRZSA-N -1 3 399.418 2.505 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737525575 598858732 /nfs/dbraw/zinc/85/87/32/598858732.db2.gz SZBQESMTVMUEGR-LBPRGKRZSA-N -1 3 399.418 2.505 20 30 GFEDHM COc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737108856 598913987 /nfs/dbraw/zinc/91/39/87/598913987.db2.gz DSSQDRKFTDTCLH-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM COc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737108856 598913988 /nfs/dbraw/zinc/91/39/88/598913988.db2.gz DSSQDRKFTDTCLH-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736193995 598915235 /nfs/dbraw/zinc/91/52/35/598915235.db2.gz WJIATKOKNWHARX-JTQLQIEISA-N -1 3 395.404 2.766 20 30 GFEDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736193995 598915236 /nfs/dbraw/zinc/91/52/36/598915236.db2.gz WJIATKOKNWHARX-JTQLQIEISA-N -1 3 395.404 2.766 20 30 GFEDHM N#Cc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1 ZINC000737716219 598915808 /nfs/dbraw/zinc/91/58/08/598915808.db2.gz MYTLWPUCWZPIOV-UHFFFAOYSA-N -1 3 376.445 2.958 20 30 GFEDHM N#Cc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1-c1nn[n-]n1 ZINC000737716219 598915809 /nfs/dbraw/zinc/91/58/09/598915809.db2.gz MYTLWPUCWZPIOV-UHFFFAOYSA-N -1 3 376.445 2.958 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1-c1nnn[n-]1 ZINC000737707585 598919249 /nfs/dbraw/zinc/91/92/49/598919249.db2.gz AFJPRMNJRQYGKR-UHFFFAOYSA-N -1 3 399.370 2.836 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1-c1nn[n-]n1 ZINC000737707585 598919251 /nfs/dbraw/zinc/91/92/51/598919251.db2.gz AFJPRMNJRQYGKR-UHFFFAOYSA-N -1 3 399.370 2.836 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)ccc1-c1nnn[n-]1 ZINC000737710388 598920465 /nfs/dbraw/zinc/92/04/65/598920465.db2.gz XRBXVZAIDUIVCH-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)ccc1-c1nn[n-]n1 ZINC000737710388 598920466 /nfs/dbraw/zinc/92/04/66/598920466.db2.gz XRBXVZAIDUIVCH-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1Br ZINC000737072011 598926285 /nfs/dbraw/zinc/92/62/85/598926285.db2.gz NZDOFKOFWUSKJQ-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1Br ZINC000737072011 598926287 /nfs/dbraw/zinc/92/62/87/598926287.db2.gz NZDOFKOFWUSKJQ-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Cl ZINC000737087814 598926500 /nfs/dbraw/zinc/92/65/00/598926500.db2.gz OSVOQQUXXRTTQK-UHFFFAOYSA-N -1 3 382.811 2.972 20 30 GFEDHM COc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Cl ZINC000737087814 598926503 /nfs/dbraw/zinc/92/65/03/598926503.db2.gz OSVOQQUXXRTTQK-UHFFFAOYSA-N -1 3 382.811 2.972 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)ccc1-c1nnn[n-]1 ZINC000737708759 598929654 /nfs/dbraw/zinc/92/96/54/598929654.db2.gz ILJJEKRLYGLZIL-UHFFFAOYSA-N -1 3 377.389 2.636 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)ccc1-c1nn[n-]n1 ZINC000737708759 598929655 /nfs/dbraw/zinc/92/96/55/598929655.db2.gz ILJJEKRLYGLZIL-UHFFFAOYSA-N -1 3 377.389 2.636 20 30 GFEDHM CN(C)c1ccc(N2CCC(N=NCc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821589337 607253468 /nfs/dbraw/zinc/25/34/68/607253468.db2.gz JVJMQHSWOBSDPK-UHFFFAOYSA-N -1 3 390.495 2.679 20 30 GFEDHM CN(C)c1ccc(N2CCC(N=NCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000821589337 607253469 /nfs/dbraw/zinc/25/34/69/607253469.db2.gz JVJMQHSWOBSDPK-UHFFFAOYSA-N -1 3 390.495 2.679 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000737064353 599154452 /nfs/dbraw/zinc/15/44/52/599154452.db2.gz BCKLYJKHEUWZJO-QPJJXVBHSA-N -1 3 393.403 2.738 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000737064353 599154456 /nfs/dbraw/zinc/15/44/56/599154456.db2.gz BCKLYJKHEUWZJO-QPJJXVBHSA-N -1 3 393.403 2.738 20 30 GFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735580397 599197161 /nfs/dbraw/zinc/19/71/61/599197161.db2.gz FUKKOOBGOFHINB-UHFFFAOYSA-N -1 3 377.364 2.563 20 30 GFEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735580397 599197163 /nfs/dbraw/zinc/19/71/63/599197163.db2.gz FUKKOOBGOFHINB-UHFFFAOYSA-N -1 3 377.364 2.563 20 30 GFEDHM COCCN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989125 599204870 /nfs/dbraw/zinc/20/48/70/599204870.db2.gz RJLHCZOXUOATAC-UHFFFAOYSA-N -1 3 394.460 2.510 20 30 GFEDHM COCCN(C(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989125 599204871 /nfs/dbraw/zinc/20/48/71/599204871.db2.gz RJLHCZOXUOATAC-UHFFFAOYSA-N -1 3 394.460 2.510 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1cccc(C#N)c1C ZINC000821701502 607268485 /nfs/dbraw/zinc/26/84/85/607268485.db2.gz QSMJZYNUUFNOPM-UHFFFAOYSA-N -1 3 392.419 2.853 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1cccc(C#N)c1C ZINC000821701502 607268486 /nfs/dbraw/zinc/26/84/86/607268486.db2.gz QSMJZYNUUFNOPM-UHFFFAOYSA-N -1 3 392.419 2.853 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737698170 599242567 /nfs/dbraw/zinc/24/25/67/599242567.db2.gz UNZFUORXECMOIL-UHFFFAOYSA-N -1 3 399.794 2.545 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737698170 599242568 /nfs/dbraw/zinc/24/25/68/599242568.db2.gz UNZFUORXECMOIL-UHFFFAOYSA-N -1 3 399.794 2.545 20 30 GFEDHM CCOc1ccc(N(CCC#N)C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821422108 607300427 /nfs/dbraw/zinc/30/04/27/607300427.db2.gz NLXXDMMOYMIKCC-UHFFFAOYSA-N -1 3 397.826 2.874 20 30 GFEDHM CCOc1ccc(N(CCC#N)C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821422108 607300428 /nfs/dbraw/zinc/30/04/28/607300428.db2.gz NLXXDMMOYMIKCC-UHFFFAOYSA-N -1 3 397.826 2.874 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OCC(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000822830244 607316655 /nfs/dbraw/zinc/31/66/55/607316655.db2.gz YWSBYVRISWTERQ-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OCC(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000822830244 607316656 /nfs/dbraw/zinc/31/66/56/607316656.db2.gz YWSBYVRISWTERQ-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CC1CCCCC1 ZINC000735426579 598270074 /nfs/dbraw/zinc/27/00/74/598270074.db2.gz RYIVAAYHXGVGLC-UHFFFAOYSA-N -1 3 375.498 2.765 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CC1CCCCC1 ZINC000735426579 598270075 /nfs/dbraw/zinc/27/00/75/598270075.db2.gz RYIVAAYHXGVGLC-UHFFFAOYSA-N -1 3 375.498 2.765 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736415653 598331621 /nfs/dbraw/zinc/33/16/21/598331621.db2.gz ICQGBVRRLRQWIP-MRXNPFEDSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736415653 598331623 /nfs/dbraw/zinc/33/16/23/598331623.db2.gz ICQGBVRRLRQWIP-MRXNPFEDSA-N -1 3 376.420 2.868 20 30 GFEDHM COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736950666 598378334 /nfs/dbraw/zinc/37/83/34/598378334.db2.gz KKHLQKSJNLEGIY-JXMROGBWSA-N -1 3 377.404 2.606 20 30 GFEDHM COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736950666 598378337 /nfs/dbraw/zinc/37/83/37/598378337.db2.gz KKHLQKSJNLEGIY-JXMROGBWSA-N -1 3 377.404 2.606 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735387947 598417673 /nfs/dbraw/zinc/41/76/73/598417673.db2.gz MCVSTINTOLRLHL-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737730608 598546035 /nfs/dbraw/zinc/54/60/35/598546035.db2.gz NSCXRTOSHBINQM-VURMDHGXSA-N -1 3 382.330 2.992 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737730608 598546036 /nfs/dbraw/zinc/54/60/36/598546036.db2.gz NSCXRTOSHBINQM-VURMDHGXSA-N -1 3 382.330 2.992 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000737395954 598548295 /nfs/dbraw/zinc/54/82/95/598548295.db2.gz IUNIQJTXJZLMKT-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000737395954 598548296 /nfs/dbraw/zinc/54/82/96/598548296.db2.gz IUNIQJTXJZLMKT-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COc2ccc(C#N)c(F)c2)c1-c1nnn[n-]1 ZINC000737504413 598549206 /nfs/dbraw/zinc/54/92/06/598549206.db2.gz XKPMVTKJDKTSGL-UHFFFAOYSA-N -1 3 375.367 2.951 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735430295 598554091 /nfs/dbraw/zinc/55/40/91/598554091.db2.gz ZXMCVNKYEHDWKA-CQSZACIVSA-N -1 3 378.436 2.548 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735430295 598554093 /nfs/dbraw/zinc/55/40/93/598554093.db2.gz ZXMCVNKYEHDWKA-CQSZACIVSA-N -1 3 378.436 2.548 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736170493 598625968 /nfs/dbraw/zinc/62/59/68/598625968.db2.gz PZAYNSLBFHXDTQ-CYBMUJFWSA-N -1 3 380.383 2.720 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000736169175 598626046 /nfs/dbraw/zinc/62/60/46/598626046.db2.gz KIEUGMFADDNXBE-BTYIYWSLSA-N -1 3 390.447 2.665 20 30 GFEDHM N#Cc1cccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737723188 598650507 /nfs/dbraw/zinc/65/05/07/598650507.db2.gz SBTXEVAUZYCADV-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM N#Cc1cccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737723188 598650508 /nfs/dbraw/zinc/65/05/08/598650508.db2.gz SBTXEVAUZYCADV-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM CC(C)(C)C(=O)C=C1SCC(=O)N1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735586035 598673980 /nfs/dbraw/zinc/67/39/80/598673980.db2.gz HZBQNMSLAVTMTO-CHHVJCJISA-N -1 3 375.429 2.538 20 30 GFEDHM CC(C)(C)C(=O)C=C1SCC(=O)N1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000735586035 598673982 /nfs/dbraw/zinc/67/39/82/598673982.db2.gz HZBQNMSLAVTMTO-CHHVJCJISA-N -1 3 375.429 2.538 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736663148 598802067 /nfs/dbraw/zinc/80/20/67/598802067.db2.gz DGQUDCIEFAJIHT-LFYBBSHMSA-N -1 3 383.433 2.524 20 30 GFEDHM C[C@H](SCC(=O)NCc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190504 599328517 /nfs/dbraw/zinc/32/85/17/599328517.db2.gz SPBCKKXOZHNSKD-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@H](SCC(=O)NCc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190504 599328520 /nfs/dbraw/zinc/32/85/20/599328520.db2.gz SPBCKKXOZHNSKD-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C=CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000819758632 599498482 /nfs/dbraw/zinc/49/84/82/599498482.db2.gz CGQUBAUBTVMYFG-ZDUSSCGKSA-N -1 3 379.420 2.931 20 30 GFEDHM C=CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000819758632 599498484 /nfs/dbraw/zinc/49/84/84/599498484.db2.gz CGQUBAUBTVMYFG-ZDUSSCGKSA-N -1 3 379.420 2.931 20 30 GFEDHM C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321455 599506058 /nfs/dbraw/zinc/50/60/58/599506058.db2.gz GOCAURQPNFKMBQ-IFXJQAMLSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321455 599506060 /nfs/dbraw/zinc/50/60/60/599506060.db2.gz GOCAURQPNFKMBQ-IFXJQAMLSA-N -1 3 387.447 2.585 20 30 GFEDHM N#C[C@@]1(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCSC1 ZINC000737679268 599568071 /nfs/dbraw/zinc/56/80/71/599568071.db2.gz OPRTZRIAWCJIHH-IBGZPJMESA-N -1 3 391.460 2.739 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822837158 599652350 /nfs/dbraw/zinc/65/23/50/599652350.db2.gz HLUUJMZBJPGOQH-KTKRTIGZSA-N -1 3 399.370 2.545 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822837158 599652351 /nfs/dbraw/zinc/65/23/51/599652351.db2.gz HLUUJMZBJPGOQH-KTKRTIGZSA-N -1 3 399.370 2.545 20 30 GFEDHM N#CCOc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826381880 607393874 /nfs/dbraw/zinc/39/38/74/607393874.db2.gz CNUNJLGWZREPAD-UHFFFAOYSA-N -1 3 375.392 2.580 20 30 GFEDHM N#CCOc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826381880 607393876 /nfs/dbraw/zinc/39/38/76/607393876.db2.gz CNUNJLGWZREPAD-UHFFFAOYSA-N -1 3 375.392 2.580 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000826243467 607399205 /nfs/dbraw/zinc/39/92/05/607399205.db2.gz JSJZFXQBRPCGPU-CYBMUJFWSA-N -1 3 398.785 2.929 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820160139 607401653 /nfs/dbraw/zinc/40/16/53/607401653.db2.gz HTBRDNQBGAYZRI-CYBMUJFWSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820160139 607401654 /nfs/dbraw/zinc/40/16/54/607401654.db2.gz HTBRDNQBGAYZRI-CYBMUJFWSA-N -1 3 392.419 2.932 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C#N)c1C ZINC000825576543 607428153 /nfs/dbraw/zinc/42/81/53/607428153.db2.gz KAMZHBDCZIPZFZ-UHFFFAOYSA-N -1 3 396.432 2.846 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C#N)c1C ZINC000825576543 607428154 /nfs/dbraw/zinc/42/81/54/607428154.db2.gz KAMZHBDCZIPZFZ-UHFFFAOYSA-N -1 3 396.432 2.846 20 30 GFEDHM CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737409607 600212651 /nfs/dbraw/zinc/21/26/51/600212651.db2.gz VDOZHMYJPMINQY-UZLBHIALSA-N -1 3 386.411 2.981 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000819733762 607438581 /nfs/dbraw/zinc/43/85/81/607438581.db2.gz BEPFEZKFAMARIR-MRXNPFEDSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000819733762 607438583 /nfs/dbraw/zinc/43/85/83/607438583.db2.gz BEPFEZKFAMARIR-MRXNPFEDSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734091 607438849 /nfs/dbraw/zinc/43/88/49/607438849.db2.gz ICRJKTVIWDAIFO-KRWDZBQOSA-N -1 3 394.410 2.768 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734091 607438851 /nfs/dbraw/zinc/43/88/51/607438851.db2.gz ICRJKTVIWDAIFO-KRWDZBQOSA-N -1 3 394.410 2.768 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)CC1 ZINC000825641929 601084405 /nfs/dbraw/zinc/08/44/05/601084405.db2.gz BCNMNWFFWGPNBV-UHFFFAOYSA-N -1 3 377.441 2.564 20 30 GFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000833072071 601184278 /nfs/dbraw/zinc/18/42/78/601184278.db2.gz NXUCZXBSPOJVEJ-NRFANRHFSA-N -1 3 395.434 2.600 20 30 GFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000833073380 601312878 /nfs/dbraw/zinc/31/28/78/601312878.db2.gz AKYFVVWWALRNFP-IBGZPJMESA-N -1 3 384.480 2.780 20 30 GFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000833074148 601314516 /nfs/dbraw/zinc/31/45/16/601314516.db2.gz PYWYLWZLXJZYDA-ZWKOTPCHSA-N -1 3 382.395 2.719 20 30 GFEDHM Cc1csc(=NCC(F)(F)F)n1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826320044 607634071 /nfs/dbraw/zinc/63/40/71/607634071.db2.gz DYZPFDCNZZQIDM-UHFFFAOYSA-N -1 3 385.350 2.522 20 30 GFEDHM Cc1csc(=NCC(F)(F)F)n1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826320044 607634072 /nfs/dbraw/zinc/63/40/72/607634072.db2.gz DYZPFDCNZZQIDM-UHFFFAOYSA-N -1 3 385.350 2.522 20 30 GFEDHM CCN(CC1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000827098551 603600028 /nfs/dbraw/zinc/60/00/28/603600028.db2.gz CKTJHEKIUKZIIP-UHFFFAOYSA-N -1 3 382.468 2.795 20 30 GFEDHM N#Cc1c(NC(=O)CCN2CCC[C@@H]2CNC(=O)[O-])sc2c1CCCCC2 ZINC000831114700 604070673 /nfs/dbraw/zinc/07/06/73/604070673.db2.gz RKPKLIMVVNVWEU-CYBMUJFWSA-N -1 3 390.509 2.949 20 30 GFEDHM N#CC(C(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2[nH]1 ZINC000833961214 605583273 /nfs/dbraw/zinc/58/32/73/605583273.db2.gz PKPIRFGYIHLEAB-KGLIPLIRSA-N -1 3 378.392 2.564 20 30 GFEDHM C[C@@H](Oc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1)C(=O)[O-] ZINC000833542100 605730795 /nfs/dbraw/zinc/73/07/95/605730795.db2.gz TXMHSYKTMJWTER-FOIQADDNSA-N -1 3 393.443 2.695 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(CC)c1 ZINC000819745388 606233814 /nfs/dbraw/zinc/23/38/14/606233814.db2.gz ANSFQHJUNRWCCN-UHFFFAOYSA-N -1 3 383.477 2.806 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(CC)c1 ZINC000819745388 606233816 /nfs/dbraw/zinc/23/38/16/606233816.db2.gz ANSFQHJUNRWCCN-UHFFFAOYSA-N -1 3 383.477 2.806 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000821122937 606281654 /nfs/dbraw/zinc/28/16/54/606281654.db2.gz CNRANFMDPVEZDJ-UHFFFAOYSA-N -1 3 391.435 2.772 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822801086 606301152 /nfs/dbraw/zinc/30/11/52/606301152.db2.gz DPKWMADSOJRXRM-HKUYNNGSSA-N -1 3 388.431 2.868 20 30 GFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819759202 606588800 /nfs/dbraw/zinc/58/88/00/606588800.db2.gz PZNRTAVJACNHTL-UHFFFAOYSA-N -1 3 379.396 2.846 20 30 GFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819759202 606588802 /nfs/dbraw/zinc/58/88/02/606588802.db2.gz PZNRTAVJACNHTL-UHFFFAOYSA-N -1 3 379.396 2.846 20 30 GFEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819899318 606640921 /nfs/dbraw/zinc/64/09/21/606640921.db2.gz RHJJEBKBXQUJFW-MRXNPFEDSA-N -1 3 380.408 2.707 20 30 GFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819897801 606641185 /nfs/dbraw/zinc/64/11/85/606641185.db2.gz AGOYAUNOQFZPSR-HNNXBMFYSA-N -1 3 377.408 2.722 20 30 GFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819897801 606641186 /nfs/dbraw/zinc/64/11/86/606641186.db2.gz AGOYAUNOQFZPSR-HNNXBMFYSA-N -1 3 377.408 2.722 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000819745765 606920368 /nfs/dbraw/zinc/92/03/68/606920368.db2.gz REUFHTLRXPWRAY-GOSISDBHSA-N -1 3 396.495 2.624 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)CC[C@H](CC(C)C)C1=O ZINC000819745765 606920370 /nfs/dbraw/zinc/92/03/70/606920370.db2.gz REUFHTLRXPWRAY-GOSISDBHSA-N -1 3 396.495 2.624 20 30 GFEDHM N#CCn1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000822814767 606999083 /nfs/dbraw/zinc/99/90/83/606999083.db2.gz JPENNEPHQOJUAX-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM N#CCn1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000822814767 606999086 /nfs/dbraw/zinc/99/90/86/606999086.db2.gz JPENNEPHQOJUAX-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM C=CCn1c(COc2ccccc2)nnc1Sc1ccc(-c2nnn[n-]2)cn1 ZINC000819759329 607035105 /nfs/dbraw/zinc/03/51/05/607035105.db2.gz UPZPEIZNVJSWGZ-UHFFFAOYSA-N -1 3 392.448 2.769 20 30 GFEDHM C=CCn1c(COc2ccccc2)nnc1Sc1ccc(-c2nn[n-]n2)cn1 ZINC000819759329 607035107 /nfs/dbraw/zinc/03/51/07/607035107.db2.gz UPZPEIZNVJSWGZ-UHFFFAOYSA-N -1 3 392.448 2.769 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846300 607098759 /nfs/dbraw/zinc/09/87/59/607098759.db2.gz VEKYAJYJPSVZHZ-FOPVZEHSSA-N -1 3 381.442 2.928 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846300 607098761 /nfs/dbraw/zinc/09/87/61/607098761.db2.gz VEKYAJYJPSVZHZ-FOPVZEHSSA-N -1 3 381.442 2.928 20 30 GFEDHM CC(C)(C#N)c1ccccc1CN(c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000819892156 607132378 /nfs/dbraw/zinc/13/23/78/607132378.db2.gz WTZSRHNFPSWKOL-UHFFFAOYSA-N -1 3 396.476 2.634 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819739884 607182183 /nfs/dbraw/zinc/18/21/83/607182183.db2.gz JUYBJSXMAGOWHG-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819739884 607182184 /nfs/dbraw/zinc/18/21/84/607182184.db2.gz JUYBJSXMAGOWHG-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873332 607903567 /nfs/dbraw/zinc/90/35/67/607903567.db2.gz LERHGUOIGRYJLM-QGZVFWFLSA-N -1 3 395.467 2.979 20 30 GFEDHM C=C[C@@H](CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883211 607980742 /nfs/dbraw/zinc/98/07/42/607980742.db2.gz KVOCZSJKXJKVKR-AWEZNQCLSA-N -1 3 377.404 2.708 20 30 GFEDHM C=C[C@@H](CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883211 607980743 /nfs/dbraw/zinc/98/07/43/607980743.db2.gz KVOCZSJKXJKVKR-AWEZNQCLSA-N -1 3 377.404 2.708 20 30 GFEDHM N#Cc1cccc([C@H]2CN(CCCOc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386654 608071076 /nfs/dbraw/zinc/07/10/76/608071076.db2.gz NHDDVGOISBISFV-HXUWFJFHSA-N -1 3 390.447 2.581 20 30 GFEDHM C=CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000823904278 608266643 /nfs/dbraw/zinc/26/66/43/608266643.db2.gz ZEXMPAQGKPAYFC-UHFFFAOYSA-N -1 3 391.479 2.863 20 30 GFEDHM C=CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000823904278 608266644 /nfs/dbraw/zinc/26/66/44/608266644.db2.gz ZEXMPAQGKPAYFC-UHFFFAOYSA-N -1 3 391.479 2.863 20 30 GFEDHM CCN(C(=O)COc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371923 608347534 /nfs/dbraw/zinc/34/75/34/608347534.db2.gz MTYHPGFIDWPLDI-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM CCN(C(=O)COc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371923 608347536 /nfs/dbraw/zinc/34/75/36/608347536.db2.gz MTYHPGFIDWPLDI-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826385511 608447210 /nfs/dbraw/zinc/44/72/10/608447210.db2.gz PQFAMAZGWLRRDT-QGZVFWFLSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826385511 608447212 /nfs/dbraw/zinc/44/72/12/608447212.db2.gz PQFAMAZGWLRRDT-QGZVFWFLSA-N -1 3 392.394 2.590 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000823909570 609214506 /nfs/dbraw/zinc/21/45/06/609214506.db2.gz JNLOJFPUBSCPKR-OAQYLSRUSA-N -1 3 377.448 2.679 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000823909570 609214507 /nfs/dbraw/zinc/21/45/07/609214507.db2.gz JNLOJFPUBSCPKR-OAQYLSRUSA-N -1 3 377.448 2.679 20 30 GFEDHM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826181053 609271712 /nfs/dbraw/zinc/27/17/12/609271712.db2.gz JFABRQLOLMGXBM-FNORWQNLSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826181053 609271713 /nfs/dbraw/zinc/27/17/13/609271713.db2.gz JFABRQLOLMGXBM-FNORWQNLSA-N -1 3 384.367 2.928 20 30 GFEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000823958853 609273684 /nfs/dbraw/zinc/27/36/84/609273684.db2.gz ZCYPJJXWGOHSBN-UHFFFAOYSA-N -1 3 386.303 2.658 20 30 GFEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000823958853 609273686 /nfs/dbraw/zinc/27/36/86/609273686.db2.gz ZCYPJJXWGOHSBN-UHFFFAOYSA-N -1 3 386.303 2.658 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823861411 609276380 /nfs/dbraw/zinc/27/63/80/609276380.db2.gz HLIZIPDVYBLSIY-UHFFFAOYSA-N -1 3 379.424 2.698 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000823861411 609276383 /nfs/dbraw/zinc/27/63/83/609276383.db2.gz HLIZIPDVYBLSIY-UHFFFAOYSA-N -1 3 379.424 2.698 20 30 GFEDHM Cn1cc(C=NNc2ccnc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360559 609306798 /nfs/dbraw/zinc/30/67/98/609306798.db2.gz PIAXAPRSVPFMOW-UHFFFAOYSA-N -1 3 395.430 2.683 20 30 GFEDHM Cn1cc(C=NNc2ccnc3ccccc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360559 609306800 /nfs/dbraw/zinc/30/68/00/609306800.db2.gz PIAXAPRSVPFMOW-UHFFFAOYSA-N -1 3 395.430 2.683 20 30 GFEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823909967 609450212 /nfs/dbraw/zinc/45/02/12/609450212.db2.gz UNBIPUOUSIUZGI-UHFFFAOYSA-N -1 3 393.856 2.533 20 30 GFEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823909967 609450213 /nfs/dbraw/zinc/45/02/13/609450213.db2.gz UNBIPUOUSIUZGI-UHFFFAOYSA-N -1 3 393.856 2.533 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258833 609522003 /nfs/dbraw/zinc/52/20/03/609522003.db2.gz YSNZNGMEXPTHJO-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258833 609522005 /nfs/dbraw/zinc/52/20/05/609522005.db2.gz YSNZNGMEXPTHJO-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1c(Cl)cnc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1C#N ZINC000826237943 609545129 /nfs/dbraw/zinc/54/51/29/609545129.db2.gz QYMDSZVHCBFDQB-UHFFFAOYSA-N -1 3 398.833 2.561 20 30 GFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258201 609601762 /nfs/dbraw/zinc/60/17/62/609601762.db2.gz DHKSLOGNYFRPEO-ZUOKHONESA-N -1 3 390.451 2.563 20 30 GFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258201 609601764 /nfs/dbraw/zinc/60/17/64/609601764.db2.gz DHKSLOGNYFRPEO-ZUOKHONESA-N -1 3 390.451 2.563 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824754014 609618316 /nfs/dbraw/zinc/61/83/16/609618316.db2.gz HGPPBDIIRYQHOZ-LLVKDONJSA-N -1 3 383.795 2.902 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824754014 609618317 /nfs/dbraw/zinc/61/83/17/609618317.db2.gz HGPPBDIIRYQHOZ-LLVKDONJSA-N -1 3 383.795 2.902 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000823161977 660363516 /nfs/dbraw/zinc/36/35/16/660363516.db2.gz XQTXZLDBDQWWFF-GFCCVEGCSA-N -1 3 387.661 2.631 20 30 GFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC000041069713 654622412 /nfs/dbraw/zinc/62/24/12/654622412.db2.gz PTLOQECFPNATDB-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173074795 655162661 /nfs/dbraw/zinc/16/26/61/655162661.db2.gz CURHYVMZNWAHKL-UHFFFAOYSA-N -1 3 381.273 2.555 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCS3(=O)=O)cc2C)n1 ZINC000173898711 655184104 /nfs/dbraw/zinc/18/41/04/655184104.db2.gz UFFALQJPPKYVON-OAHLLOKOSA-N -1 3 375.475 2.790 20 30 GFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000292902350 655356563 /nfs/dbraw/zinc/35/65/63/655356563.db2.gz WBVZBQDOECTSTK-UHFFFAOYSA-N -1 3 384.255 2.658 20 30 GFEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccc(Cl)cc1Cl ZINC000760308898 655975327 /nfs/dbraw/zinc/97/53/27/655975327.db2.gz NSVXFPNCFFCDMN-CQSZACIVSA-N -1 3 392.304 2.852 20 30 GFEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000769051577 656263896 /nfs/dbraw/zinc/26/38/96/656263896.db2.gz JCIZJJYQMRHYFC-SNVBAGLBSA-N -1 3 378.226 2.687 20 30 GFEDHM N#C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1Br ZINC000769852898 656295280 /nfs/dbraw/zinc/29/52/80/656295280.db2.gz WOHGWKYHLOYAMV-LBPRGKRZSA-N -1 3 375.178 2.878 20 30 GFEDHM O=C([N-]CCSCC(F)(F)F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000770053220 656304543 /nfs/dbraw/zinc/30/45/43/656304543.db2.gz UGPIXRCHGIFZDS-UHFFFAOYSA-N -1 3 396.259 2.732 20 30 GFEDHM Cc1c(Br)c(C)n([N-]C(=O)c2cc(F)cc(F)c2)c(=O)c1C#N ZINC000791171013 658064463 /nfs/dbraw/zinc/06/44/63/658064463.db2.gz KLLKKLFMRQBTCU-UHFFFAOYSA-N -1 3 382.164 2.761 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)cc1Cl ZINC000791772215 658174612 /nfs/dbraw/zinc/17/46/12/658174612.db2.gz ZUVHPWICARXDIL-JTQLQIEISA-N -1 3 378.841 2.765 20 30 GFEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000796096752 658890489 /nfs/dbraw/zinc/89/04/89/658890489.db2.gz GTILCNGPDWSPMD-HNNXBMFYSA-N -1 3 379.279 2.757 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000797454599 659024789 /nfs/dbraw/zinc/02/47/89/659024789.db2.gz PTQHAUQEHXYZHN-RYUDHWBXSA-N -1 3 378.675 2.562 20 30 GFEDHM O=C([N-]CCC1CCN(C(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F ZINC000802014959 659438929 /nfs/dbraw/zinc/43/89/29/659438929.db2.gz WIPCCEYXNBPELA-UHFFFAOYSA-N -1 3 384.267 2.532 20 30 GFEDHM CS(=O)(=O)N(Cc1ccccc1)N=Cc1cc(Br)ccc1[O-] ZINC000814237497 660075166 /nfs/dbraw/zinc/07/51/66/660075166.db2.gz RZGPMPDWUTTZBI-UHFFFAOYSA-N -1 3 383.267 2.950 20 30 GFEDHM Cc1nc(CSc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)cs1 ZINC000816754998 660168046 /nfs/dbraw/zinc/16/80/46/660168046.db2.gz QQKRUJMSCMRSJR-HNNXBMFYSA-N -1 3 377.491 2.854 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(Cl)cc1Cl ZINC000841542835 661294914 /nfs/dbraw/zinc/29/49/14/661294914.db2.gz RRGAMFRLTYZNNL-UHFFFAOYSA-N -1 3 379.265 2.998 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000845830352 661499162 /nfs/dbraw/zinc/49/91/62/661499162.db2.gz BFTUBEXWPAMSSP-NSHDSACASA-N -1 3 377.447 2.616 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000845830745 661499350 /nfs/dbraw/zinc/49/93/50/661499350.db2.gz HFAMEBVJOCXPOB-GFCCVEGCSA-N -1 3 375.475 2.786 20 30 GFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cn2c(n1)COCC2 ZINC000860473987 662202299 /nfs/dbraw/zinc/20/22/99/662202299.db2.gz UPYZKIKRMNIHGV-JTQLQIEISA-N -1 3 379.203 2.681 20 30 GFEDHM O=C([N-]CCOC(F)(F)C(F)(F)F)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000874309032 662828363 /nfs/dbraw/zinc/82/83/63/662828363.db2.gz YJDYOGLRXPHHSA-UHFFFAOYSA-N -1 3 396.646 2.845 20 30 GFEDHM Cc1cc(Cl)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Br ZINC000888432351 663197911 /nfs/dbraw/zinc/19/79/11/663197911.db2.gz WOACURSVRMJLTM-SNVBAGLBSA-N -1 3 376.638 2.913 20 30 GFEDHM N#Cc1cc(F)c(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Br ZINC000897347362 663602111 /nfs/dbraw/zinc/60/21/11/663602111.db2.gz KYOVXBKVFFVGIY-SNVBAGLBSA-N -1 3 378.205 2.646 20 30 GFEDHM O=C(c1sccc1S(=O)(=O)N1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901376154 663734804 /nfs/dbraw/zinc/73/48/04/663734804.db2.gz QBRYCJBLGBLQQE-UHFFFAOYSA-N -1 3 384.454 2.703 20 30 GFEDHM CC(C)[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N1CCCS1(=O)=O ZINC000901378948 663734915 /nfs/dbraw/zinc/73/49/15/663734915.db2.gz NAELCOHMIVBLTC-CQSZACIVSA-N -1 3 395.308 2.771 20 30 GFEDHM Cc1ncc(CO)c(C=NN2C(=S)N=NC2c2cccc(Cl)c2)c1[O-] ZINC000916345264 664457917 /nfs/dbraw/zinc/45/79/17/664457917.db2.gz XGWQGLQFCORXGH-UHFFFAOYSA-N -1 3 375.841 2.671 20 30 GFEDHM COc1cc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)cc(Br)c1[O-] ZINC000916367813 664458108 /nfs/dbraw/zinc/45/81/08/664458108.db2.gz PTLQGFHVMIGTIQ-JTQLQIEISA-N -1 3 399.270 2.777 20 30 GFEDHM CCC(=NNC(=S)NC[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000916583733 664465613 /nfs/dbraw/zinc/46/56/13/664465613.db2.gz MSVIPCDYAVTXQM-LLVKDONJSA-N -1 3 386.315 2.912 20 30 GFEDHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000154995162 551488225 /nfs/dbraw/zinc/48/82/25/551488225.db2.gz NSIFPHKMMCPRDP-CQSZACIVSA-N -1 3 378.416 2.898 20 30 GFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)cc1Cl ZINC000171630403 551659615 /nfs/dbraw/zinc/65/96/15/551659615.db2.gz FRJQACHYTPEGTI-UHFFFAOYSA-N -1 3 381.816 2.788 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]1c1ccccc1 ZINC000178951312 552180127 /nfs/dbraw/zinc/18/01/27/552180127.db2.gz FMGUIMMXPWTCFJ-WMZOPIPTSA-N -1 3 375.881 2.935 20 30 GFEDHM CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183525202 552311700 /nfs/dbraw/zinc/31/17/00/552311700.db2.gz MXMZSNONHOPSOM-INIZCTEOSA-N -1 3 377.897 2.663 20 30 GFEDHM CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000183556243 552312693 /nfs/dbraw/zinc/31/26/93/552312693.db2.gz JXMFWVZYBJQANN-UHFFFAOYSA-N -1 3 383.901 2.527 20 30 GFEDHM CC[C@H](CC#N)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000183885658 552321493 /nfs/dbraw/zinc/32/14/93/552321493.db2.gz RXCPIEVGSNVEEP-LLVKDONJSA-N -1 3 383.520 2.710 20 30 GFEDHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184958469 552349047 /nfs/dbraw/zinc/34/90/47/552349047.db2.gz CDUILIZRMYFFJI-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM CC(C)(C#N)CCS(=O)(=O)[N-][C@@H]1COc2cc(F)c(Br)cc21 ZINC000377864073 563489312 /nfs/dbraw/zinc/48/93/12/563489312.db2.gz LBTVQJJMDWVVFL-GFCCVEGCSA-N -1 3 391.262 2.881 20 30 GFEDHM Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccc(F)cc2)cn1 ZINC000370460662 563244768 /nfs/dbraw/zinc/24/47/68/563244768.db2.gz OFFBULYHIJUMEJ-MRXNPFEDSA-N -1 3 376.438 2.560 20 30 GFEDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000373822771 563352815 /nfs/dbraw/zinc/35/28/15/563352815.db2.gz LLOMMCXEVPLMTF-OAHLLOKOSA-N -1 3 376.438 2.560 20 30 GFEDHM Cc1csc(NC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)n1 ZINC000329755958 563487608 /nfs/dbraw/zinc/48/76/08/563487608.db2.gz YJYDDZYEAWHMPJ-UHFFFAOYSA-N -1 3 384.483 2.936 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC[C@H]1O ZINC000330676713 563517751 /nfs/dbraw/zinc/51/77/51/563517751.db2.gz UMSMTABDYFBJLQ-CABCVRRESA-N -1 3 387.299 2.540 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCN1Cc1ccccc1 ZINC000398109690 563533004 /nfs/dbraw/zinc/53/30/04/563533004.db2.gz QQBPXUQFYXHRIA-GOSISDBHSA-N -1 3 375.519 2.953 20 30 GFEDHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC000288540326 563646884 /nfs/dbraw/zinc/64/68/84/563646884.db2.gz YBSGSCSOLRNALR-LURJTMIESA-N -1 3 376.228 2.772 20 30 GFEDHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1 ZINC000435425502 563649764 /nfs/dbraw/zinc/64/97/64/563649764.db2.gz DKISIMCAVKEGRS-AWEZNQCLSA-N -1 3 382.438 2.732 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(-c3ccncc3)cs2)s1 ZINC000435434755 563650501 /nfs/dbraw/zinc/65/05/01/563650501.db2.gz UKGIJDUIJYSERX-UHFFFAOYSA-N -1 3 376.488 2.659 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)ccc1Cl ZINC000436478458 563671423 /nfs/dbraw/zinc/67/14/23/563671423.db2.gz PDMJZLPUCTZIMU-UHFFFAOYSA-N -1 3 377.788 2.937 20 30 GFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414449310 563738320 /nfs/dbraw/zinc/73/83/20/563738320.db2.gz BRXJWPBRRQMFFD-LLVKDONJSA-N -1 3 383.373 2.537 20 30 GFEDHM CN1C[C@@H](c2ccccc2)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000414467078 563741677 /nfs/dbraw/zinc/74/16/77/563741677.db2.gz VYFZJPHOTYTYMZ-DOTOQJQBSA-N -1 3 375.881 2.588 20 30 GFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C#N)CC2(C)C)ccc1Cl ZINC000291395944 563741738 /nfs/dbraw/zinc/74/17/38/563741738.db2.gz HAVNEOLSNKUWTJ-KRWDZBQOSA-N -1 3 383.901 2.839 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCNC(=O)c1ccc(Cl)cc1 ZINC000443021332 563787893 /nfs/dbraw/zinc/78/78/93/563787893.db2.gz INYCUEACDBXORP-UHFFFAOYSA-N -1 3 398.271 2.573 20 30 GFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccnc1 ZINC000293121261 563801805 /nfs/dbraw/zinc/80/18/05/563801805.db2.gz PEOCHVININAAJN-MRXNPFEDSA-N -1 3 379.869 2.645 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nnc2n1CCCCC2 ZINC000366641200 563816396 /nfs/dbraw/zinc/81/63/96/563816396.db2.gz OCLDKTAYOBBBEB-LLVKDONJSA-N -1 3 379.873 2.569 20 30 GFEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000416630751 563855702 /nfs/dbraw/zinc/85/57/02/563855702.db2.gz ITNAITYHHIRRRA-MRXNPFEDSA-N -1 3 378.519 2.850 20 30 GFEDHM C=CCSCCNC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471915981 564206958 /nfs/dbraw/zinc/20/69/58/564206958.db2.gz VYHFPPVBDLIIIV-UHFFFAOYSA-N -1 3 382.429 2.726 20 30 GFEDHM N#C[C@]1([N-]S(=O)(=O)c2cncc(Br)c2)CCc2ccccc2C1 ZINC000471932578 564207976 /nfs/dbraw/zinc/20/79/76/564207976.db2.gz HKPOJMBIIQPMQV-INIZCTEOSA-N -1 3 392.278 2.574 20 30 GFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000566133945 564311858 /nfs/dbraw/zinc/31/18/58/564311858.db2.gz OXJWIWKHNIGCLJ-CYBMUJFWSA-N -1 3 377.491 2.508 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000566942562 564351029 /nfs/dbraw/zinc/35/10/29/564351029.db2.gz WAVRSJIMCRBVNE-MAUKXSAKSA-N -1 3 376.865 2.656 20 30 GFEDHM N#Cc1cnc2c(Br)cccc2c1N1CCc2nc[n-]c(=O)c2C1 ZINC000567318935 564365855 /nfs/dbraw/zinc/36/58/55/564365855.db2.gz CJBCPAAHWQSNBS-UHFFFAOYSA-N -1 3 382.221 2.927 20 30 GFEDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)o1 ZINC000451962260 564372927 /nfs/dbraw/zinc/37/29/27/564372927.db2.gz WEFZJWPKZVVVRB-UHFFFAOYSA-N -1 3 384.255 2.740 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000567553097 564376309 /nfs/dbraw/zinc/37/63/09/564376309.db2.gz ACKWEVPUYCVWKO-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2I)CC1 ZINC000567685455 564383599 /nfs/dbraw/zinc/38/35/99/564383599.db2.gz WJVIRILDBNAHMC-UHFFFAOYSA-N -1 3 396.637 2.527 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000580943417 564780647 /nfs/dbraw/zinc/78/06/47/564780647.db2.gz LUILVWXNXDHUMD-UHFFFAOYSA-N -1 3 393.262 2.623 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000555948616 564809461 /nfs/dbraw/zinc/80/94/61/564809461.db2.gz HWEFUHQQQIHEDA-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000582272722 564837715 /nfs/dbraw/zinc/83/77/15/564837715.db2.gz GWEQVAHOQIHNLJ-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccc1 ZINC000557812093 564877667 /nfs/dbraw/zinc/87/76/67/564877667.db2.gz ONBIFVZRXNQMOU-OAHLLOKOSA-N -1 3 395.278 2.987 20 30 GFEDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557823604 564878816 /nfs/dbraw/zinc/87/88/16/564878816.db2.gz JKGJECLUNMVESY-UHFFFAOYSA-N -1 3 389.315 2.788 20 30 GFEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000589232070 565156023 /nfs/dbraw/zinc/15/60/23/565156023.db2.gz DAOOZHAXOGKALY-UHFFFAOYSA-N -1 3 382.825 2.687 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000619366493 565337729 /nfs/dbraw/zinc/33/77/29/565337729.db2.gz YZYSDBYKHIHOIZ-ZDUSSCGKSA-N -1 3 377.388 2.745 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(N2CCCCCC2)nc1 ZINC000593532336 565338390 /nfs/dbraw/zinc/33/83/90/565338390.db2.gz NZHHBYLJEHUMCP-UHFFFAOYSA-N -1 3 376.507 2.874 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000593571539 565343039 /nfs/dbraw/zinc/34/30/39/565343039.db2.gz UTQWTGWUUZKORU-BBRMVZONSA-N -1 3 381.910 2.997 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593633034 565350781 /nfs/dbraw/zinc/35/07/81/565350781.db2.gz ZYUUTUWORSBZEV-MRXNPFEDSA-N -1 3 399.310 2.804 20 30 GFEDHM COC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H]1CCCO1 ZINC000594771291 565419486 /nfs/dbraw/zinc/41/94/86/565419486.db2.gz SMUXTHBDYFMBCS-LSDHHAIUSA-N -1 3 380.491 2.554 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)[C@H]1O ZINC000594783356 565420541 /nfs/dbraw/zinc/42/05/41/565420541.db2.gz DSWNHEIFSHSUJC-OCCSQVGLSA-N -1 3 386.445 2.908 20 30 GFEDHM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1F ZINC000644282069 565469988 /nfs/dbraw/zinc/46/99/88/565469988.db2.gz YIRJTXXKUFZGJF-LDYMZIIASA-N -1 3 395.296 2.969 20 30 GFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)s1 ZINC000604277112 565927409 /nfs/dbraw/zinc/92/74/09/565927409.db2.gz JTOLCSFRLFDFGS-NEPJUHHUSA-N -1 3 377.491 2.856 20 30 GFEDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C2CCN(CC#N)CC2)c1Cl ZINC000609334416 566035938 /nfs/dbraw/zinc/03/59/38/566035938.db2.gz SLTRBJLPCWYGBO-UHFFFAOYSA-N -1 3 376.309 2.877 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000610081443 566064630 /nfs/dbraw/zinc/06/46/30/566064630.db2.gz TUDSBJREFDDVAE-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000657000913 566203207 /nfs/dbraw/zinc/20/32/07/566203207.db2.gz BXXQAFNKYGTMOL-OLZOCXBDSA-N -1 3 390.299 2.860 20 30 GFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000657006097 566204291 /nfs/dbraw/zinc/20/42/91/566204291.db2.gz CQDRGHMAQJNQKI-ZDUSSCGKSA-N -1 3 392.315 2.843 20 30 GFEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000737677017 598824962 /nfs/dbraw/zinc/82/49/62/598824962.db2.gz YPJFTBVTKIYKSQ-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000737677017 598824965 /nfs/dbraw/zinc/82/49/65/598824965.db2.gz YPJFTBVTKIYKSQ-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737504150 598840946 /nfs/dbraw/zinc/84/09/46/598840946.db2.gz QCSZOZKSUJTZJJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737504150 598840947 /nfs/dbraw/zinc/84/09/47/598840947.db2.gz QCSZOZKSUJTZJJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000736037670 598887594 /nfs/dbraw/zinc/88/75/94/598887594.db2.gz NLJDXNYKIKRQFE-ZIAGYGMSSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000736037670 598887596 /nfs/dbraw/zinc/88/75/96/598887596.db2.gz NLJDXNYKIKRQFE-ZIAGYGMSSA-N -1 3 393.403 2.516 20 30 GFEDHM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1-c1nnn[n-]1 ZINC000737706159 598919163 /nfs/dbraw/zinc/91/91/63/598919163.db2.gz WHOHSEVGPOZJSU-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1-c1nn[n-]n1 ZINC000737706159 598919165 /nfs/dbraw/zinc/91/91/65/598919165.db2.gz WHOHSEVGPOZJSU-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735461327 598919796 /nfs/dbraw/zinc/91/97/96/598919796.db2.gz PWAMRFXILJQJEH-LJQANCHMSA-N -1 3 399.414 2.641 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735461327 598919797 /nfs/dbraw/zinc/91/97/97/598919797.db2.gz PWAMRFXILJQJEH-LJQANCHMSA-N -1 3 399.414 2.641 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)ccc1-c1nnn[n-]1 ZINC000737709992 598927043 /nfs/dbraw/zinc/92/70/43/598927043.db2.gz PRVWHMXIGNGUQX-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)ccc1-c1nn[n-]n1 ZINC000737709992 598927044 /nfs/dbraw/zinc/92/70/44/598927044.db2.gz PRVWHMXIGNGUQX-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM C=C(C)COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000819723030 607253719 /nfs/dbraw/zinc/25/37/19/607253719.db2.gz VCVLDMFIJJXOQI-UHFFFAOYSA-N -1 3 378.436 2.954 20 30 GFEDHM C=C(C)COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000819723030 607253720 /nfs/dbraw/zinc/25/37/20/607253720.db2.gz VCVLDMFIJJXOQI-UHFFFAOYSA-N -1 3 378.436 2.954 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507559 598971189 /nfs/dbraw/zinc/97/11/89/598971189.db2.gz FOOBGKJMGWXMNG-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507559 598971191 /nfs/dbraw/zinc/97/11/91/598971191.db2.gz FOOBGKJMGWXMNG-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSCCOc1cccc(C#N)c1 ZINC000737032589 599009551 /nfs/dbraw/zinc/00/95/51/599009551.db2.gz NEEKYMCVQZAWJX-UHFFFAOYSA-N -1 3 397.460 2.938 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSCCOc1cccc(C#N)c1 ZINC000737032589 599009553 /nfs/dbraw/zinc/00/95/53/599009553.db2.gz NEEKYMCVQZAWJX-UHFFFAOYSA-N -1 3 397.460 2.938 20 30 GFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCOc3ccc(C#N)cc3)c2c1 ZINC000822196848 599048464 /nfs/dbraw/zinc/04/84/64/599048464.db2.gz YQLCHXRBWANBQJ-UHFFFAOYSA-N -1 3 385.431 2.816 20 30 GFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCOc3ccc(C#N)cc3)c2c1 ZINC000822196848 599048466 /nfs/dbraw/zinc/04/84/66/599048466.db2.gz YQLCHXRBWANBQJ-UHFFFAOYSA-N -1 3 385.431 2.816 20 30 GFEDHM N#Cc1ccc(F)c(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822830152 599071281 /nfs/dbraw/zinc/07/12/81/599071281.db2.gz VWYPKTDAXFFITB-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM N#Cc1ccc(F)c(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000822830152 599071284 /nfs/dbraw/zinc/07/12/84/599071284.db2.gz VWYPKTDAXFFITB-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM N#Cc1ccc(S[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000737721699 599174852 /nfs/dbraw/zinc/17/48/52/599174852.db2.gz BYIALJMYMZODGF-MRXNPFEDSA-N -1 3 380.408 2.775 20 30 GFEDHM N#Cc1ccc(S[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000737721699 599174853 /nfs/dbraw/zinc/17/48/53/599174853.db2.gz BYIALJMYMZODGF-MRXNPFEDSA-N -1 3 380.408 2.775 20 30 GFEDHM COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737065777 599197784 /nfs/dbraw/zinc/19/77/84/599197784.db2.gz OASAFACGLUPEOF-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737065777 599197785 /nfs/dbraw/zinc/19/77/85/599197785.db2.gz OASAFACGLUPEOF-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737188733 599199885 /nfs/dbraw/zinc/19/98/85/599199885.db2.gz FDHNNGPJGWXJTI-UHFFFAOYSA-N -1 3 394.464 2.934 20 30 GFEDHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737188733 599199887 /nfs/dbraw/zinc/19/98/87/599199887.db2.gz FDHNNGPJGWXJTI-UHFFFAOYSA-N -1 3 394.464 2.934 20 30 GFEDHM Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c12 ZINC000737546750 599199909 /nfs/dbraw/zinc/19/99/09/599199909.db2.gz QJNCSSHEIPHQCG-UHFFFAOYSA-N -1 3 386.375 2.713 20 30 GFEDHM Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c12 ZINC000737546750 599199911 /nfs/dbraw/zinc/19/99/11/599199911.db2.gz QJNCSSHEIPHQCG-UHFFFAOYSA-N -1 3 386.375 2.713 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819702279 599283039 /nfs/dbraw/zinc/28/30/39/599283039.db2.gz WPOJDYDCJDEAPJ-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819702279 599283041 /nfs/dbraw/zinc/28/30/41/599283041.db2.gz WPOJDYDCJDEAPJ-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM N#CCN1CCC(OC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000822811332 607322861 /nfs/dbraw/zinc/32/28/61/607322861.db2.gz WNAOFCPFJRMHGS-UHFFFAOYSA-N -1 3 388.431 2.678 20 30 GFEDHM N#CCN1CCC(OC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000822811332 607322862 /nfs/dbraw/zinc/32/28/62/607322862.db2.gz WNAOFCPFJRMHGS-UHFFFAOYSA-N -1 3 388.431 2.678 20 30 GFEDHM N#Cc1cc(F)ccc1CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737706664 598250674 /nfs/dbraw/zinc/25/06/74/598250674.db2.gz XWQUPFLGWYCERD-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1cc(F)ccc1CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737706664 598250676 /nfs/dbraw/zinc/25/06/76/598250676.db2.gz XWQUPFLGWYCERD-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202155 598377131 /nfs/dbraw/zinc/37/71/31/598377131.db2.gz KVMNORNOLLQTCR-CMDGGOBGSA-N -1 3 391.431 2.980 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202155 598377132 /nfs/dbraw/zinc/37/71/32/598377132.db2.gz KVMNORNOLLQTCR-CMDGGOBGSA-N -1 3 391.431 2.980 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc(OC)c1 ZINC000737041430 598378544 /nfs/dbraw/zinc/37/85/44/598378544.db2.gz KUPXKKZFJMOMEU-VOTSOKGWSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc(OC)c1 ZINC000737041430 598378545 /nfs/dbraw/zinc/37/85/45/598378545.db2.gz KUPXKKZFJMOMEU-VOTSOKGWSA-N -1 3 379.420 2.836 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380992 598417006 /nfs/dbraw/zinc/41/70/06/598417006.db2.gz QLCUNLYFZITFBZ-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821680458 607358423 /nfs/dbraw/zinc/35/84/23/607358423.db2.gz JXHOQBBEZGXMFI-LJQANCHMSA-N -1 3 394.460 2.676 20 30 GFEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821680458 607358425 /nfs/dbraw/zinc/35/84/25/607358425.db2.gz JXHOQBBEZGXMFI-LJQANCHMSA-N -1 3 394.460 2.676 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737717434 598574779 /nfs/dbraw/zinc/57/47/79/598574779.db2.gz CWPYYIVQPXZDDU-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737717434 598574780 /nfs/dbraw/zinc/57/47/80/598574780.db2.gz CWPYYIVQPXZDDU-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505656 598651717 /nfs/dbraw/zinc/65/17/17/598651717.db2.gz PYUIRJDKIZWEKV-HNNXBMFYSA-N -1 3 390.447 2.921 20 30 GFEDHM CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505656 598651719 /nfs/dbraw/zinc/65/17/19/598651719.db2.gz PYUIRJDKIZWEKV-HNNXBMFYSA-N -1 3 390.447 2.921 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419138 598756792 /nfs/dbraw/zinc/75/67/92/598756792.db2.gz PNMYARCZVGYXIK-UHFFFAOYSA-N -1 3 375.498 2.765 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419138 598756794 /nfs/dbraw/zinc/75/67/94/598756794.db2.gz PNMYARCZVGYXIK-UHFFFAOYSA-N -1 3 375.498 2.765 20 30 GFEDHM C=CCc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000735443422 599304403 /nfs/dbraw/zinc/30/44/03/599304403.db2.gz UYAIFMHRKIDRBC-UHFFFAOYSA-N -1 3 379.420 2.889 20 30 GFEDHM C=CCc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OC ZINC000735443422 599304405 /nfs/dbraw/zinc/30/44/05/599304405.db2.gz UYAIFMHRKIDRBC-UHFFFAOYSA-N -1 3 379.420 2.889 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820174844 607374154 /nfs/dbraw/zinc/37/41/54/607374154.db2.gz ZCHVMVBBLTYHCL-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820174844 607374156 /nfs/dbraw/zinc/37/41/56/607374156.db2.gz ZCHVMVBBLTYHCL-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819758828 599438373 /nfs/dbraw/zinc/43/83/73/599438373.db2.gz IDSFJOUUVZTDKR-AWEZNQCLSA-N -1 3 378.436 2.992 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819758828 599438375 /nfs/dbraw/zinc/43/83/75/599438375.db2.gz IDSFJOUUVZTDKR-AWEZNQCLSA-N -1 3 378.436 2.992 20 30 GFEDHM COc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OC ZINC000737040423 599463195 /nfs/dbraw/zinc/46/31/95/599463195.db2.gz PTSSQGGIMRHFGF-AATRIKPKSA-N -1 3 390.403 2.736 20 30 GFEDHM COc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OC ZINC000737040423 599463196 /nfs/dbraw/zinc/46/31/96/599463196.db2.gz PTSSQGGIMRHFGF-AATRIKPKSA-N -1 3 390.403 2.736 20 30 GFEDHM C=C(Br)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819718989 599497152 /nfs/dbraw/zinc/49/71/52/599497152.db2.gz WJMUIGRMRYOBBL-UHFFFAOYSA-N -1 3 376.174 2.644 20 30 GFEDHM C=C(Br)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819718989 599497156 /nfs/dbraw/zinc/49/71/56/599497156.db2.gz WJMUIGRMRYOBBL-UHFFFAOYSA-N -1 3 376.174 2.644 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735410007 599507793 /nfs/dbraw/zinc/50/77/93/599507793.db2.gz RENLFUOZJGMRKZ-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735410007 599507795 /nfs/dbraw/zinc/50/77/95/599507795.db2.gz RENLFUOZJGMRKZ-ZDUSSCGKSA-N -1 3 392.419 2.678 20 30 GFEDHM C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820334743 599516885 /nfs/dbraw/zinc/51/68/85/599516885.db2.gz PJZFILVQKWQHBS-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820334743 599516887 /nfs/dbraw/zinc/51/68/87/599516887.db2.gz PJZFILVQKWQHBS-CYBMUJFWSA-N -1 3 378.461 2.849 20 30 GFEDHM Cn1nnc2cc(C=NNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)ccc21 ZINC000737625963 599534952 /nfs/dbraw/zinc/53/49/52/599534952.db2.gz DJHNDWAOAQAATI-UHFFFAOYSA-N -1 3 387.329 2.613 20 30 GFEDHM Cn1nnc2cc(C=NNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)ccc21 ZINC000737625963 599534955 /nfs/dbraw/zinc/53/49/55/599534955.db2.gz DJHNDWAOAQAATI-UHFFFAOYSA-N -1 3 387.329 2.613 20 30 GFEDHM C=CCC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734232 607390076 /nfs/dbraw/zinc/39/00/76/607390076.db2.gz KNUPGDSBFKORDC-KRWDZBQOSA-N -1 3 387.440 2.992 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820160613 607398251 /nfs/dbraw/zinc/39/82/51/607398251.db2.gz NMYISEQTZNIQLM-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820168792 607429533 /nfs/dbraw/zinc/42/95/33/607429533.db2.gz APWHIJWUMKEMJO-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820168792 607429536 /nfs/dbraw/zinc/42/95/36/607429536.db2.gz APWHIJWUMKEMJO-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820160066 607440167 /nfs/dbraw/zinc/44/01/67/607440167.db2.gz FWUCUQSWCHBYOS-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000739106475 600568263 /nfs/dbraw/zinc/56/82/63/600568263.db2.gz SEACUFMECZRNFR-QZTJIDSGSA-N -1 3 382.395 2.719 20 30 GFEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823551309 607464526 /nfs/dbraw/zinc/46/45/26/607464526.db2.gz MIRBLTOREKQYKS-UHFFFAOYSA-N -1 3 386.346 2.789 20 30 GFEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823551309 607464528 /nfs/dbraw/zinc/46/45/28/607464528.db2.gz MIRBLTOREKQYKS-UHFFFAOYSA-N -1 3 386.346 2.789 20 30 GFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000833073535 601313048 /nfs/dbraw/zinc/31/30/48/601313048.db2.gz DLUKSBDIJBKVIS-LJQANCHMSA-N -1 3 378.432 2.970 20 30 GFEDHM N#CCc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826382664 607525247 /nfs/dbraw/zinc/52/52/47/607525247.db2.gz PJERTOMKGNYFNK-UHFFFAOYSA-N -1 3 383.755 2.747 20 30 GFEDHM N#CCc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826382664 607525249 /nfs/dbraw/zinc/52/52/49/607525249.db2.gz PJERTOMKGNYFNK-UHFFFAOYSA-N -1 3 383.755 2.747 20 30 GFEDHM COc1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1-c1nnn[n-]1 ZINC000826204287 607560078 /nfs/dbraw/zinc/56/00/78/607560078.db2.gz FOWIDBTWNGBNPV-UHFFFAOYSA-N -1 3 375.314 2.773 20 30 GFEDHM COc1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cc1-c1nn[n-]n1 ZINC000826204287 607560080 /nfs/dbraw/zinc/56/00/80/607560080.db2.gz FOWIDBTWNGBNPV-UHFFFAOYSA-N -1 3 375.314 2.773 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739009917 602377851 /nfs/dbraw/zinc/37/78/51/602377851.db2.gz MUDJAXXWVKNULC-GZBFAFLISA-N -1 3 386.477 2.983 20 30 GFEDHM CN(CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000739659764 602381109 /nfs/dbraw/zinc/38/11/09/602381109.db2.gz KYDBSNHRUNDPLP-AWEZNQCLSA-N -1 3 386.477 2.794 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000738485757 602680264 /nfs/dbraw/zinc/68/02/64/602680264.db2.gz QMSCLVUBDAJMKF-FUHWJXTLSA-N -1 3 378.517 2.591 20 30 GFEDHM C=CCN1CCC(NC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)CC1 ZINC000823507424 603535657 /nfs/dbraw/zinc/53/56/57/603535657.db2.gz XPYXJTPYSTZBJE-UHFFFAOYSA-N -1 3 384.480 2.679 20 30 GFEDHM CN(C[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-] ZINC000828223292 603580757 /nfs/dbraw/zinc/58/07/57/603580757.db2.gz KUWZYCLPCOYWRV-LBPRGKRZSA-N -1 3 376.482 2.511 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)CC2(NC(=O)[O-])CCC2)cc1Cl ZINC000829442646 604254053 /nfs/dbraw/zinc/25/40/53/604254053.db2.gz OIUQAOAVQFIBNI-NSHDSACASA-N -1 3 379.800 2.576 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)c1 ZINC000822837873 606269909 /nfs/dbraw/zinc/26/99/09/606269909.db2.gz WKWDAXNHGFODTL-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)c1 ZINC000822837873 606269911 /nfs/dbraw/zinc/26/99/11/606269911.db2.gz WKWDAXNHGFODTL-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821703165 606272837 /nfs/dbraw/zinc/27/28/37/606272837.db2.gz RWNMDHKYDOFFSX-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821703165 606272839 /nfs/dbraw/zinc/27/28/39/606272839.db2.gz RWNMDHKYDOFFSX-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM CCCCCCCC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821050297 606369563 /nfs/dbraw/zinc/36/95/63/606369563.db2.gz QKHDTMAPBDTNKI-CYBMUJFWSA-N -1 3 377.470 2.937 20 30 GFEDHM CCCCCCCC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821050297 606369565 /nfs/dbraw/zinc/36/95/65/606369565.db2.gz QKHDTMAPBDTNKI-CYBMUJFWSA-N -1 3 377.470 2.937 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822801548 606440845 /nfs/dbraw/zinc/44/08/45/606440845.db2.gz KNMJNINYIZRSEQ-OALUTQOASA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822801548 606440846 /nfs/dbraw/zinc/44/08/46/606440846.db2.gz KNMJNINYIZRSEQ-OALUTQOASA-N -1 3 387.447 2.848 20 30 GFEDHM N#Cc1ccc(COC(=O)c2sccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822825470 606559600 /nfs/dbraw/zinc/55/96/00/606559600.db2.gz HADDLRXAZQEEOL-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1Cn1cccn1 ZINC000821777891 606623823 /nfs/dbraw/zinc/62/38/23/606623823.db2.gz NTIFEPWAYCDVNN-UHFFFAOYSA-N -1 3 388.435 2.956 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822832611 606677267 /nfs/dbraw/zinc/67/72/67/606677267.db2.gz CYDDEVWDEGILQQ-UHFFFAOYSA-N -1 3 392.272 2.870 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822832611 606677268 /nfs/dbraw/zinc/67/72/68/606677268.db2.gz CYDDEVWDEGILQQ-UHFFFAOYSA-N -1 3 392.272 2.870 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c(OC)cccc1OC ZINC000819744041 606786752 /nfs/dbraw/zinc/78/67/52/606786752.db2.gz UNJDUJQKPVWSOH-UHFFFAOYSA-N -1 3 393.447 2.641 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c(OC)cccc1OC ZINC000819744041 606786753 /nfs/dbraw/zinc/78/67/53/606786753.db2.gz UNJDUJQKPVWSOH-UHFFFAOYSA-N -1 3 393.447 2.641 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819722690 606803768 /nfs/dbraw/zinc/80/37/68/606803768.db2.gz OOBNMTDFNWMPPJ-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819722690 606803770 /nfs/dbraw/zinc/80/37/70/606803770.db2.gz OOBNMTDFNWMPPJ-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819722564 606804084 /nfs/dbraw/zinc/80/40/84/606804084.db2.gz MYUMHSYISPIKGK-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819722564 606804085 /nfs/dbraw/zinc/80/40/85/606804085.db2.gz MYUMHSYISPIKGK-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM COc1cccc(C=NOCCCOc2cccc(-c3nnn[n-]3)c2)c1OC ZINC000821862421 606837513 /nfs/dbraw/zinc/83/75/13/606837513.db2.gz BFTFTJLAQWNOIE-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM COc1cccc(C=NOCCCOc2cccc(-c3nn[n-]n3)c2)c1OC ZINC000821862421 606837514 /nfs/dbraw/zinc/83/75/14/606837514.db2.gz BFTFTJLAQWNOIE-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM C#CCCCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819693520 606955301 /nfs/dbraw/zinc/95/53/01/606955301.db2.gz SUJGNOBSHNALBC-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM C#CCCCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819693520 606955302 /nfs/dbraw/zinc/95/53/02/606955302.db2.gz SUJGNOBSHNALBC-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM N#Cc1cn(Cc2ccc(F)c(-c3nnn[n-]3)c2)c2ccc(Cl)cc2c1=O ZINC000822842807 607009090 /nfs/dbraw/zinc/00/90/90/607009090.db2.gz ZTODRCPYQJPJMY-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cn(Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccc(Cl)cc2c1=O ZINC000822842807 607009091 /nfs/dbraw/zinc/00/90/91/607009091.db2.gz ZTODRCPYQJPJMY-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cc(Br)ccc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822819579 607043955 /nfs/dbraw/zinc/04/39/55/607043955.db2.gz WVXJZAYCCBEXKI-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM N#Cc1cc(Br)ccc1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822819579 607043956 /nfs/dbraw/zinc/04/39/56/607043956.db2.gz WVXJZAYCCBEXKI-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3C)cc1-c1nnn[n-]1 ZINC000826191185 607842940 /nfs/dbraw/zinc/84/29/40/607842940.db2.gz ZLYRMCUTZARDBR-FPYGCLRLSA-N -1 3 389.415 2.680 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3C)cc1-c1nn[n-]n1 ZINC000826191185 607842941 /nfs/dbraw/zinc/84/29/41/607842941.db2.gz ZLYRMCUTZARDBR-FPYGCLRLSA-N -1 3 389.415 2.680 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000825271961 607859639 /nfs/dbraw/zinc/85/96/39/607859639.db2.gz SEEYILBEQUWSIJ-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000825271961 607859640 /nfs/dbraw/zinc/85/96/40/607859640.db2.gz SEEYILBEQUWSIJ-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C(=O)OC)c1C#N ZINC000825631776 607880569 /nfs/dbraw/zinc/88/05/69/607880569.db2.gz GARGOXOIGBGVME-UHFFFAOYSA-N -1 3 378.392 2.536 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C(=O)OC)c1C#N ZINC000825631776 607880570 /nfs/dbraw/zinc/88/05/70/607880570.db2.gz GARGOXOIGBGVME-UHFFFAOYSA-N -1 3 378.392 2.536 20 30 GFEDHM Brc1c(C=NNc2ccc(-c3nn[n-]n3)cc2)nc2ccccn12 ZINC000823820379 607885815 /nfs/dbraw/zinc/88/58/15/607885815.db2.gz DMKFQHFSACCOPI-UHFFFAOYSA-N -1 3 383.213 2.723 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(CC#N)cc2)c1-c1nnn[n-]1 ZINC000826332947 607978657 /nfs/dbraw/zinc/97/86/57/607978657.db2.gz NZLBQOILFBARSF-UHFFFAOYSA-N -1 3 399.414 2.784 20 30 GFEDHM N#Cc1ccccc1NC(=S)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387157 608047624 /nfs/dbraw/zinc/04/76/24/608047624.db2.gz IWYOJANALXBZQM-QGZVFWFLSA-N -1 3 391.460 2.509 20 30 GFEDHM N#Cc1ccccc1NC(=S)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387157 608047625 /nfs/dbraw/zinc/04/76/25/608047625.db2.gz IWYOJANALXBZQM-QGZVFWFLSA-N -1 3 391.460 2.509 20 30 GFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCc1ccc(C#N)cc1 ZINC000825789126 608177132 /nfs/dbraw/zinc/17/71/32/608177132.db2.gz WTMIJVSHPNLQLX-UHFFFAOYSA-N -1 3 386.419 2.679 20 30 GFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCc1ccc(C#N)cc1 ZINC000825789126 608177134 /nfs/dbraw/zinc/17/71/34/608177134.db2.gz WTMIJVSHPNLQLX-UHFFFAOYSA-N -1 3 386.419 2.679 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000823909369 608215180 /nfs/dbraw/zinc/21/51/80/608215180.db2.gz ANEHVXDTTYWMJW-UHFFFAOYSA-N -1 3 389.872 2.603 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000823909369 608215181 /nfs/dbraw/zinc/21/51/81/608215181.db2.gz ANEHVXDTTYWMJW-UHFFFAOYSA-N -1 3 389.872 2.603 20 30 GFEDHM N#Cc1cc2c(nc1N1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CCCC2 ZINC000826383985 608302306 /nfs/dbraw/zinc/30/23/06/608302306.db2.gz AOVQVGUTCNHQCM-LJQANCHMSA-N -1 3 387.447 2.590 20 30 GFEDHM N#Cc1cc2c(nc1N1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)CCCC2 ZINC000826383985 608302308 /nfs/dbraw/zinc/30/23/08/608302308.db2.gz AOVQVGUTCNHQCM-LJQANCHMSA-N -1 3 387.447 2.590 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000824756007 608384638 /nfs/dbraw/zinc/38/46/38/608384638.db2.gz NFXNRTKIRHCKEC-STQMWFEESA-N -1 3 383.433 2.621 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000824756007 608384640 /nfs/dbraw/zinc/38/46/40/608384640.db2.gz NFXNRTKIRHCKEC-STQMWFEESA-N -1 3 383.433 2.621 20 30 GFEDHM N#Cc1cccc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826386876 608393513 /nfs/dbraw/zinc/39/35/13/608393513.db2.gz WIIZXSJYSMHHKH-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1cnc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c(Cl)c1 ZINC000826387738 608410673 /nfs/dbraw/zinc/41/06/73/608410673.db2.gz OEWYVVCIOCCMDQ-UHFFFAOYSA-N -1 3 377.799 2.789 20 30 GFEDHM N#Cc1cnc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(Cl)c1 ZINC000826387738 608410675 /nfs/dbraw/zinc/41/06/75/608410675.db2.gz OEWYVVCIOCCMDQ-UHFFFAOYSA-N -1 3 377.799 2.789 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823888749 608561534 /nfs/dbraw/zinc/56/15/34/608561534.db2.gz VJOPSPCCBKZRFY-HNNXBMFYSA-N -1 3 393.447 2.882 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823888749 608561535 /nfs/dbraw/zinc/56/15/35/608561535.db2.gz VJOPSPCCBKZRFY-HNNXBMFYSA-N -1 3 393.447 2.882 20 30 GFEDHM Cn1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(-c2cccs2)n1 ZINC000826360579 608752801 /nfs/dbraw/zinc/75/28/01/608752801.db2.gz PWXIAMIAPVRXQN-UHFFFAOYSA-N -1 3 385.844 2.823 20 30 GFEDHM C=CCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823925294 609157409 /nfs/dbraw/zinc/15/74/09/609157409.db2.gz HIJXUZKBQTWCJN-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM C=CCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823925294 609157412 /nfs/dbraw/zinc/15/74/12/609157412.db2.gz HIJXUZKBQTWCJN-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824385190 609226710 /nfs/dbraw/zinc/22/67/10/609226710.db2.gz NUDTXIJEMJVCKR-PXAZEXFGSA-N -1 3 394.460 2.933 20 30 GFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824385190 609226712 /nfs/dbraw/zinc/22/67/12/609226712.db2.gz NUDTXIJEMJVCKR-PXAZEXFGSA-N -1 3 394.460 2.933 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000824738786 609243452 /nfs/dbraw/zinc/24/34/52/609243452.db2.gz RIGQRIOQENSEDD-AWEZNQCLSA-N -1 3 389.415 2.933 20 30 GFEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1Br)c1cccs1 ZINC000826388395 609326459 /nfs/dbraw/zinc/32/64/59/609326459.db2.gz WEWAYBDKAVLSEQ-UHFFFAOYSA-N -1 3 379.243 2.528 20 30 GFEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1Br)c1cccs1 ZINC000826388395 609326461 /nfs/dbraw/zinc/32/64/61/609326461.db2.gz WEWAYBDKAVLSEQ-UHFFFAOYSA-N -1 3 379.243 2.528 20 30 GFEDHM CC(C)OCCNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824315668 609416425 /nfs/dbraw/zinc/41/64/25/609416425.db2.gz SUTOCVGUVRTABL-UHFFFAOYSA-N -1 3 380.452 2.794 20 30 GFEDHM CC(C)OCCNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824315668 609416427 /nfs/dbraw/zinc/41/64/27/609416427.db2.gz SUTOCVGUVRTABL-UHFFFAOYSA-N -1 3 380.452 2.794 20 30 GFEDHM Cc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1-n1cncn1 ZINC000826266332 609471597 /nfs/dbraw/zinc/47/15/97/609471597.db2.gz LJELBKPDIBDDNQ-UHFFFAOYSA-N -1 3 379.815 2.855 20 30 GFEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1-n1cncn1 ZINC000826266332 609471599 /nfs/dbraw/zinc/47/15/99/609471599.db2.gz LJELBKPDIBDDNQ-UHFFFAOYSA-N -1 3 379.815 2.855 20 30 GFEDHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(C#N)c2)cc1-c1nnn[n-]1 ZINC000825552545 609489730 /nfs/dbraw/zinc/48/97/30/609489730.db2.gz AFTFGUDKLHJDPN-UHFFFAOYSA-N -1 3 393.407 2.927 20 30 GFEDHM CCOC(=O)Nc1ccc(NCc2ccc(OC)c(C#N)c2)cc1-c1nn[n-]n1 ZINC000825552545 609489733 /nfs/dbraw/zinc/48/97/33/609489733.db2.gz AFTFGUDKLHJDPN-UHFFFAOYSA-N -1 3 393.407 2.927 20 30 GFEDHM C#CCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC000823840751 609507997 /nfs/dbraw/zinc/50/79/97/609507997.db2.gz DRKYRJAECAWLRT-UHFFFAOYSA-N -1 3 375.454 2.936 20 30 GFEDHM C#CCCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC000823840751 609508000 /nfs/dbraw/zinc/50/80/00/609508000.db2.gz DRKYRJAECAWLRT-UHFFFAOYSA-N -1 3 375.454 2.936 20 30 GFEDHM C[C@@H]1C[C@H](NN=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CCO1 ZINC000824893088 609518513 /nfs/dbraw/zinc/51/85/13/609518513.db2.gz PCBBMXQBJMSXDD-CRAIPNDOSA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@@H]1C[C@H](NN=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CCO1 ZINC000824893088 609518515 /nfs/dbraw/zinc/51/85/15/609518515.db2.gz PCBBMXQBJMSXDD-CRAIPNDOSA-N -1 3 392.463 2.937 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H](Nc3c(F)cc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826385192 609574676 /nfs/dbraw/zinc/57/46/76/609574676.db2.gz AWSDIVDTJBFTJE-INIZCTEOSA-N -1 3 395.373 2.624 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H](Nc3c(F)cc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000826385192 609574679 /nfs/dbraw/zinc/57/46/79/609574679.db2.gz AWSDIVDTJBFTJE-INIZCTEOSA-N -1 3 395.373 2.624 20 30 GFEDHM N#Cc1cc(F)c(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000826384336 609574690 /nfs/dbraw/zinc/57/46/90/609574690.db2.gz RBXSXFCIYARUOU-INIZCTEOSA-N -1 3 395.373 2.624 20 30 GFEDHM N#Cc1cc(F)c(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000826384336 609574692 /nfs/dbraw/zinc/57/46/92/609574692.db2.gz RBXSXFCIYARUOU-INIZCTEOSA-N -1 3 395.373 2.624 20 30 GFEDHM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706553 609590300 /nfs/dbraw/zinc/59/03/00/609590300.db2.gz JAIQCKWHSMBJGX-HXPMCKFVSA-N -1 3 385.424 2.733 20 30 GFEDHM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706553 609590302 /nfs/dbraw/zinc/59/03/02/609590302.db2.gz JAIQCKWHSMBJGX-HXPMCKFVSA-N -1 3 385.424 2.733 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000824033714 609625013 /nfs/dbraw/zinc/62/50/13/609625013.db2.gz AADXIDJAOWERDN-OLZOCXBDSA-N -1 3 378.392 2.564 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000824033714 609625015 /nfs/dbraw/zinc/62/50/15/609625015.db2.gz AADXIDJAOWERDN-OLZOCXBDSA-N -1 3 378.392 2.564 20 30 GFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000054157716 654757886 /nfs/dbraw/zinc/75/78/86/654757886.db2.gz QTYWFOMUDIKKSY-SSDOTTSWSA-N -1 3 382.077 2.650 20 30 GFEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000129087103 654856173 /nfs/dbraw/zinc/85/61/73/654856173.db2.gz SDCPRSHIVOWQGC-UHFFFAOYSA-N -1 3 395.834 2.873 20 30 GFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000103155357 655067961 /nfs/dbraw/zinc/06/79/61/655067961.db2.gz DUBAFDRELXJFPS-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM C=CC[C@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000281548902 655334818 /nfs/dbraw/zinc/33/48/18/655334818.db2.gz NXMHVANPIVOJRS-LBPRGKRZSA-N -1 3 378.491 2.610 20 30 GFEDHM NC(=O)c1ccccc1N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000732529451 655597400 /nfs/dbraw/zinc/59/74/00/655597400.db2.gz XCXYIIOAKOECSD-MNUWJXFPSA-N -1 3 388.265 2.951 20 30 GFEDHM C=CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccncc1 ZINC000734460472 655630964 /nfs/dbraw/zinc/63/09/64/655630964.db2.gz PGPZCBWVUMNPMT-GFCCVEGCSA-N -1 3 385.898 2.508 20 30 GFEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[Si](C)(C)C ZINC000740944454 655701172 /nfs/dbraw/zinc/70/11/72/655701172.db2.gz CUAWEHBKQCAYTR-AWEZNQCLSA-N -1 3 382.558 2.560 20 30 GFEDHM COc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000741460906 655706172 /nfs/dbraw/zinc/70/61/72/655706172.db2.gz VGWHLOKYGGSTBE-UHFFFAOYSA-N -1 3 383.813 2.710 20 30 GFEDHM CC(C)(C/N=C\c1cc(Br)ccc1[O-])[C@H]1COCC12OCCO2 ZINC000840710862 661177443 /nfs/dbraw/zinc/17/74/43/661177443.db2.gz MJFUXZIHCFDEHB-XXZGICNZSA-N -1 3 384.270 2.989 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000746402324 655761001 /nfs/dbraw/zinc/76/10/01/655761001.db2.gz XMGDZDPRQJBQLZ-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000746402324 655761003 /nfs/dbraw/zinc/76/10/03/655761003.db2.gz XMGDZDPRQJBQLZ-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#CCCCCS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751291774 655824782 /nfs/dbraw/zinc/82/47/82/655824782.db2.gz JZDXZKXJJMEDJO-CYBMUJFWSA-N -1 3 384.807 2.703 20 30 GFEDHM C#CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000757621339 655913762 /nfs/dbraw/zinc/91/37/62/655913762.db2.gz FNBUDOFUAIUTMG-CYBMUJFWSA-N -1 3 382.894 2.561 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnc(SC)c2)ccc1F ZINC000766741535 656182174 /nfs/dbraw/zinc/18/21/74/656182174.db2.gz KPHKGZVHVTZGDP-UHFFFAOYSA-N -1 3 381.454 2.659 20 30 GFEDHM Clc1nccnc1N=NCc1c(Br)n[n-]c1Br ZINC000793013118 658346452 /nfs/dbraw/zinc/34/64/52/658346452.db2.gz OPFQFWMGFNDQJC-UHFFFAOYSA-N -1 3 380.431 2.824 20 30 GFEDHM N#Cc1sc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc1Cl ZINC000804691603 659668785 /nfs/dbraw/zinc/66/87/85/659668785.db2.gz ZTWJSKSVPTXXQS-UHFFFAOYSA-N -1 3 395.268 2.851 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c(Cl)cc1Cl ZINC000811838860 660016579 /nfs/dbraw/zinc/01/65/79/660016579.db2.gz XCXYZEPYBZAJEH-AWEZNQCLSA-N -1 3 377.249 2.751 20 30 GFEDHM COCc1nc(Cl)cc(N=NCc2cc(O)c([O-])c(Br)c2)n1 ZINC000814978464 660099694 /nfs/dbraw/zinc/09/96/94/660099694.db2.gz HPPQCNNNFKOJEV-UHFFFAOYSA-N -1 3 387.621 2.896 20 30 GFEDHM CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816690498 660165522 /nfs/dbraw/zinc/16/55/22/660165522.db2.gz UCRHMTWHLJSZRY-HIFRSBDPSA-N -1 3 383.286 2.760 20 30 GFEDHM Cc1csc(SCc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)n1 ZINC000848137455 661627089 /nfs/dbraw/zinc/62/70/89/661627089.db2.gz FQCNJLBEELBORL-AWEZNQCLSA-N -1 3 377.491 2.854 20 30 GFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000849426163 661722659 /nfs/dbraw/zinc/72/26/59/661722659.db2.gz QDBLWQFMQKLDOY-UHFFFAOYSA-N -1 3 395.300 2.945 20 30 GFEDHM C=CCCSCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000855384684 661989865 /nfs/dbraw/zinc/98/98/65/661989865.db2.gz SGOGMWALIZNRQX-UHFFFAOYSA-N -1 3 388.530 2.942 20 30 GFEDHM Cn1cc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c(Br)n1 ZINC000866997378 662515448 /nfs/dbraw/zinc/51/54/48/662515448.db2.gz OANHORVIYXWBJT-LBPRGKRZSA-N -1 3 383.271 2.506 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000881866413 663007065 /nfs/dbraw/zinc/00/70/65/663007065.db2.gz XYBAFOJBGVBCOE-UHFFFAOYSA-N -1 3 383.823 2.683 20 30 GFEDHM Cc1cc(Cl)c(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Br ZINC000888432350 663197841 /nfs/dbraw/zinc/19/78/41/663197841.db2.gz WOACURSVRMJLTM-JTQLQIEISA-N -1 3 376.638 2.913 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncsc2C2CC2)ccc1F ZINC000893278860 663405196 /nfs/dbraw/zinc/40/51/96/663405196.db2.gz ZNAHETQGDLTVHB-UHFFFAOYSA-N -1 3 381.454 2.876 20 30 GFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nc(C)cc(=O)[n-]2)s1 ZINC000911863175 664259648 /nfs/dbraw/zinc/25/96/48/664259648.db2.gz KBFHJICEDNTHBV-UHFFFAOYSA-N -1 3 384.914 2.959 20 30 GFEDHM Cc1ncc(CO)c(/C=N\Cc2cc3c(c(Br)c2)OCO3)c1[O-] ZINC000920480603 664526680 /nfs/dbraw/zinc/52/66/80/664526680.db2.gz KSMBEMPBRSTJLR-FXBPXSCXSA-N -1 3 379.210 2.698 20 30 GFEDHM C=CCNC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000024043834 209174305 /nfs/dbraw/zinc/17/43/05/209174305.db2.gz DHSVJQQPWBXGBV-GFCCVEGCSA-N -1 3 397.349 2.696 20 30 GFEDHM Cc1cc(Br)cnc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000156378723 551521805 /nfs/dbraw/zinc/52/18/05/551521805.db2.gz UOJNICVHHDHCTP-UHFFFAOYSA-N -1 3 389.253 2.901 20 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/nfs/dbraw/zinc/82/98/66/563829866.db2.gz WTVCAZXVXBCILL-CQSZACIVSA-N -1 3 389.315 2.642 20 30 GFEDHM C=CCN(Cc1ccccc1F)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000194553589 553024281 /nfs/dbraw/zinc/02/42/81/553024281.db2.gz VKVMLFYCNOWCPZ-UHFFFAOYSA-N -1 3 382.482 2.770 20 30 GFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ncc[nH]1 ZINC000295802720 563263316 /nfs/dbraw/zinc/26/33/16/563263316.db2.gz BDKMREMSTATHJV-CYBMUJFWSA-N -1 3 383.271 2.719 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)OCCc2sccc21 ZINC000296559580 563292208 /nfs/dbraw/zinc/29/22/08/563292208.db2.gz CNBBHHLDRBQDRC-KRWDZBQOSA-N -1 3 380.466 2.666 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nnc2n1CCCCC2 ZINC000373479518 563339509 /nfs/dbraw/zinc/33/95/09/563339509.db2.gz JLWXVQYLRCECIM-LLVKDONJSA-N -1 3 379.873 2.569 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC000425197460 563410173 /nfs/dbraw/zinc/41/01/73/563410173.db2.gz WEYDNZBPBDBDMI-UHFFFAOYSA-N -1 3 376.812 2.885 20 30 GFEDHM CC(=O)c1ccc(C#N)c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000302122167 563421377 /nfs/dbraw/zinc/42/13/77/563421377.db2.gz GPOSHTCNZIVEBD-UHFFFAOYSA-N -1 3 383.882 2.866 20 30 GFEDHM Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cc1C#N ZINC000427129440 563460611 /nfs/dbraw/zinc/46/06/11/563460611.db2.gz XIXGNOIWPWMAGQ-UHFFFAOYSA-N -1 3 379.825 2.877 20 30 GFEDHM N#Cc1c(F)cccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000428454092 563493443 /nfs/dbraw/zinc/49/34/43/563493443.db2.gz HRPYGFOUTLQUPU-UHFFFAOYSA-N -1 3 379.482 2.702 20 30 GFEDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000330684163 563517742 /nfs/dbraw/zinc/51/77/42/563517742.db2.gz PTNZTUAHBNRWMK-FZMZJTMJSA-N -1 3 387.299 2.803 20 30 GFEDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cs1 ZINC000433010965 563600959 /nfs/dbraw/zinc/60/09/59/563600959.db2.gz ZVFJFFCTKPIMFG-UHFFFAOYSA-N -1 3 386.296 2.818 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C2CC2)s1 ZINC000435422795 563649747 /nfs/dbraw/zinc/64/97/47/563649747.db2.gz NHVCTCKZIJNSQE-KRWDZBQOSA-N -1 3 376.459 2.821 20 30 GFEDHM Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435431669 563650359 /nfs/dbraw/zinc/65/03/59/563650359.db2.gz FIOSEZMILBPEAF-UHFFFAOYSA-N -1 3 375.519 2.871 20 30 GFEDHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000442815200 563780734 /nfs/dbraw/zinc/78/07/34/563780734.db2.gz CHEXIGDNCXSCPE-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000443096726 563791934 /nfs/dbraw/zinc/79/19/34/563791934.db2.gz SPJKKDDLBIOTEB-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM N#Cc1nnc2ccccc2c1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000443895884 563813723 /nfs/dbraw/zinc/81/37/23/563813723.db2.gz KZDDIWWZMBTLKT-UHFFFAOYSA-N -1 3 393.881 2.607 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000367162586 563834111 /nfs/dbraw/zinc/83/41/11/563834111.db2.gz CSFNTNVNDQALDG-UHFFFAOYSA-N -1 3 379.482 2.702 20 30 GFEDHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000416664862 563859336 /nfs/dbraw/zinc/85/93/36/563859336.db2.gz UFGOTGZUFYDUKB-AWEZNQCLSA-N -1 3 376.459 2.762 20 30 GFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C(C)(C)O1 ZINC000563987250 564215430 /nfs/dbraw/zinc/21/54/30/564215430.db2.gz XDNTXSOIZNRWBV-ZDUSSCGKSA-N -1 3 387.299 2.945 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000475527840 564310548 /nfs/dbraw/zinc/31/05/48/564310548.db2.gz HYYCITUOQZUUFT-UHFFFAOYSA-N -1 3 380.813 2.510 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCC2)c1 ZINC000475539869 564311851 /nfs/dbraw/zinc/31/18/51/564311851.db2.gz YEXHIDHBDXUSNQ-UHFFFAOYSA-N -1 3 399.969 2.852 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCCCC1 ZINC000451942906 564370197 /nfs/dbraw/zinc/37/01/97/564370197.db2.gz UGFVNGJGXFQHRC-UHFFFAOYSA-N -1 3 386.901 2.761 20 30 GFEDHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000511397884 564371138 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/nfs/dbraw/zinc/93/78/84/564937884.db2.gz YQQNFHWLHHCXBP-GFCCVEGCSA-N -1 3 396.310 2.959 20 30 GFEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(Br)ccc1Cl ZINC000560073042 564948493 /nfs/dbraw/zinc/94/84/93/564948493.db2.gz WSHMUOUGOVVYDM-UHFFFAOYSA-N -1 3 392.662 2.560 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC000562374488 565026643 /nfs/dbraw/zinc/02/66/43/565026643.db2.gz ACDCCATZIMFXRW-AWEZNQCLSA-N -1 3 384.885 2.870 20 30 GFEDHM C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000660143711 565258656 /nfs/dbraw/zinc/25/86/56/565258656.db2.gz XDJUIBMANQXLPF-UHFFFAOYSA-N -1 3 378.491 2.610 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594483345 565394733 /nfs/dbraw/zinc/39/47/33/565394733.db2.gz AOGLXMMMIRSZBM-GOEBONIOSA-N -1 3 399.310 2.947 20 30 GFEDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000594800018 565422637 /nfs/dbraw/zinc/42/26/37/565422637.db2.gz ATWWWGZSQSZDAO-AWEZNQCLSA-N -1 3 387.299 2.804 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cn1 ZINC000594860061 565431633 /nfs/dbraw/zinc/43/16/33/565431633.db2.gz KILGEBKHEYJYLK-CZUORRHYSA-N -1 3 378.885 2.635 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC000594859726 565431696 /nfs/dbraw/zinc/43/16/96/565431696.db2.gz IPBDTCOGNVKLGV-GDBMZVCRSA-N -1 3 378.885 2.635 20 30 GFEDHM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)c(F)c1 ZINC000644274992 565469446 /nfs/dbraw/zinc/46/94/46/565469446.db2.gz LANQJVDGZRTJEZ-WRWORJQWSA-N -1 3 395.296 2.969 20 30 GFEDHM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)c(F)c2)C1 ZINC000625351349 565622388 /nfs/dbraw/zinc/62/23/88/565622388.db2.gz VSTNXWRVGXYHHQ-CYBMUJFWSA-N -1 3 390.502 2.564 20 30 GFEDHM Cn1cc(Br)c(=NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[n-]1 ZINC000603042273 565882673 /nfs/dbraw/zinc/88/26/73/565882673.db2.gz DUHWYZXOLMYSMB-ZFWWWQNUSA-N -1 3 388.269 2.908 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)nn1 ZINC000632635904 566052031 /nfs/dbraw/zinc/05/20/31/566052031.db2.gz RVYYXHDPIHTLSI-UHFFFAOYSA-N -1 3 395.535 2.826 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(CNc2c(C#N)cnc3ccc(Cl)cc32)s1 ZINC000610245349 566072846 /nfs/dbraw/zinc/07/28/46/566072846.db2.gz HXRMROJYNQKQRA-UHFFFAOYSA-N -1 3 392.893 2.763 20 30 GFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000657036347 566210754 /nfs/dbraw/zinc/21/07/54/566210754.db2.gz FBEJILAYDWPXJN-IUODEOHRSA-N -1 3 375.487 2.642 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736310390 598876952 /nfs/dbraw/zinc/87/69/52/598876952.db2.gz YKWQFCVAPAEZNX-MRXNPFEDSA-N -1 3 377.408 2.869 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736310390 598876953 /nfs/dbraw/zinc/87/69/53/598876953.db2.gz YKWQFCVAPAEZNX-MRXNPFEDSA-N -1 3 377.408 2.869 20 30 GFEDHM N#Cc1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)ccc1-c1nnn[n-]1 ZINC000737704417 598914014 /nfs/dbraw/zinc/91/40/14/598914014.db2.gz IAFUTRPOBOLOKW-LBPRGKRZSA-N -1 3 380.795 2.582 20 30 GFEDHM N#Cc1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)ccc1-c1nn[n-]n1 ZINC000737704417 598914015 /nfs/dbraw/zinc/91/40/15/598914015.db2.gz IAFUTRPOBOLOKW-LBPRGKRZSA-N -1 3 380.795 2.582 20 30 GFEDHM N#Cc1ccc(NC(=O)CCCOCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000737717136 598928548 /nfs/dbraw/zinc/92/85/48/598928548.db2.gz ZPAZUZHHNLMLQG-UHFFFAOYSA-N -1 3 376.420 2.716 20 30 GFEDHM N#Cc1ccc(NC(=O)CCCOCCc2ccccc2)cc1-c1nn[n-]n1 ZINC000737717136 598928550 /nfs/dbraw/zinc/92/85/50/598928550.db2.gz ZPAZUZHHNLMLQG-UHFFFAOYSA-N -1 3 376.420 2.716 20 30 GFEDHM Cc1cc(-n2c(C)cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2C)no1 ZINC000822151660 607253919 /nfs/dbraw/zinc/25/39/19/607253919.db2.gz DRKYSLQQEFSKEI-UHFFFAOYSA-N -1 3 376.424 2.694 20 30 GFEDHM Cc1cc(-n2c(C)cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000822151660 607253920 /nfs/dbraw/zinc/25/39/20/607253920.db2.gz DRKYSLQQEFSKEI-UHFFFAOYSA-N -1 3 376.424 2.694 20 30 GFEDHM CCOc1ccccc1C=NOCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736653435 598977674 /nfs/dbraw/zinc/97/76/74/598977674.db2.gz IZXFDOQJRFPMGC-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM CCOc1ccccc1C=NOCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736653435 598977676 /nfs/dbraw/zinc/97/76/76/598977676.db2.gz IZXFDOQJRFPMGC-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1ccc(C#N)nc1 ZINC000737281451 598990860 /nfs/dbraw/zinc/99/08/60/598990860.db2.gz ZEQPMZIGWQFXJA-UHFFFAOYSA-N -1 3 398.386 2.881 20 30 GFEDHM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736465097 599151567 /nfs/dbraw/zinc/15/15/67/599151567.db2.gz AEINAADOKFNAJT-INIZCTEOSA-N -1 3 389.419 2.565 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOC3=O)cc2)cc1-c1nnn[n-]1 ZINC000737080896 599154964 /nfs/dbraw/zinc/15/49/64/599154964.db2.gz IKVFZMQMLXHNNF-KRXBUXKQSA-N -1 3 391.387 2.728 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOC3=O)cc2)cc1-c1nn[n-]n1 ZINC000737080896 599154967 /nfs/dbraw/zinc/15/49/67/599154967.db2.gz IKVFZMQMLXHNNF-KRXBUXKQSA-N -1 3 391.387 2.728 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1Cc1ccccc1 ZINC000737214601 599192275 /nfs/dbraw/zinc/19/22/75/599192275.db2.gz OARYIRRIXZAYPL-UHFFFAOYSA-N -1 3 384.403 2.544 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1Cc1ccccc1 ZINC000737214601 599192277 /nfs/dbraw/zinc/19/22/77/599192277.db2.gz OARYIRRIXZAYPL-UHFFFAOYSA-N -1 3 384.403 2.544 20 30 GFEDHM N#Cc1cc(NC(=O)CCOc2ccc(F)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737703720 599194885 /nfs/dbraw/zinc/19/48/85/599194885.db2.gz FBHXEIKTQFOWHK-UHFFFAOYSA-N -1 3 386.774 2.938 20 30 GFEDHM N#Cc1cc(NC(=O)CCOc2ccc(F)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737703720 599194887 /nfs/dbraw/zinc/19/48/87/599194887.db2.gz FBHXEIKTQFOWHK-UHFFFAOYSA-N -1 3 386.774 2.938 20 30 GFEDHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737188595 599199891 /nfs/dbraw/zinc/19/98/91/599199891.db2.gz CJLRKPBIELMYFM-UHFFFAOYSA-N -1 3 394.464 2.934 20 30 GFEDHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737188595 599199892 /nfs/dbraw/zinc/19/98/92/599199892.db2.gz CJLRKPBIELMYFM-UHFFFAOYSA-N -1 3 394.464 2.934 20 30 GFEDHM N#Cc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000822829699 599250552 /nfs/dbraw/zinc/25/05/52/599250552.db2.gz FALDLXKGSWZHFI-UHFFFAOYSA-N -1 3 383.799 2.592 20 30 GFEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccncc3-c3nnn[n-]3)c2)cc1 ZINC000737721144 599252136 /nfs/dbraw/zinc/25/21/36/599252136.db2.gz HJKFVYUQVFEVOS-UHFFFAOYSA-N -1 3 383.371 2.600 20 30 GFEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccncc3-c3nn[n-]n3)c2)cc1 ZINC000737721144 599252137 /nfs/dbraw/zinc/25/21/37/599252137.db2.gz HJKFVYUQVFEVOS-UHFFFAOYSA-N -1 3 383.371 2.600 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818378057 597327682 /nfs/dbraw/zinc/32/76/82/597327682.db2.gz HVJHVXPDWNBIRV-UHFFFAOYSA-N -1 3 380.448 2.781 20 30 GFEDHM C#Cc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000735391585 598263363 /nfs/dbraw/zinc/26/33/63/598263363.db2.gz UBCIIAXWMLFTFG-UHFFFAOYSA-N -1 3 388.431 2.923 20 30 GFEDHM C#Cc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000735391585 598263364 /nfs/dbraw/zinc/26/33/64/598263364.db2.gz UBCIIAXWMLFTFG-UHFFFAOYSA-N -1 3 388.431 2.923 20 30 GFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000735830066 598383836 /nfs/dbraw/zinc/38/38/36/598383836.db2.gz BZHHFLUEENAYDJ-UHFFFAOYSA-N -1 3 389.463 2.835 20 30 GFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000735830066 598383837 /nfs/dbraw/zinc/38/38/37/598383837.db2.gz BZHHFLUEENAYDJ-UHFFFAOYSA-N -1 3 389.463 2.835 20 30 GFEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735831735 598383850 /nfs/dbraw/zinc/38/38/50/598383850.db2.gz UQGDRCSIZIMYIC-UHFFFAOYSA-N -1 3 389.463 2.835 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735381562 598417097 /nfs/dbraw/zinc/41/70/97/598417097.db2.gz VVPSJBFWTQPDSB-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735381562 598417098 /nfs/dbraw/zinc/41/70/98/598417098.db2.gz VVPSJBFWTQPDSB-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735387834 598417624 /nfs/dbraw/zinc/41/76/24/598417624.db2.gz HOPSEZOEULBUND-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735387834 598417625 /nfs/dbraw/zinc/41/76/25/598417625.db2.gz HOPSEZOEULBUND-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM C=C(C)COc1cccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000735401962 598444547 /nfs/dbraw/zinc/44/45/47/598444547.db2.gz BONOSXARVWFSTD-UHFFFAOYSA-N -1 3 395.419 2.848 20 30 GFEDHM C=C(C)COc1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000735401962 598444549 /nfs/dbraw/zinc/44/45/49/598444549.db2.gz BONOSXARVWFSTD-UHFFFAOYSA-N -1 3 395.419 2.848 20 30 GFEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737693018 598535281 /nfs/dbraw/zinc/53/52/81/598535281.db2.gz BSCARQIJLVNENC-UHFFFAOYSA-N -1 3 388.840 2.629 20 30 GFEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737693018 598535283 /nfs/dbraw/zinc/53/52/83/598535283.db2.gz BSCARQIJLVNENC-UHFFFAOYSA-N -1 3 388.840 2.629 20 30 GFEDHM CC(C)(C)CN(CCC#N)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735602757 598621107 /nfs/dbraw/zinc/62/11/07/598621107.db2.gz QLYTYSMIVGCJDI-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM CC(C)(C)CN(CCC#N)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735602757 598621110 /nfs/dbraw/zinc/62/11/10/598621110.db2.gz QLYTYSMIVGCJDI-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735432008 598649430 /nfs/dbraw/zinc/64/94/30/598649430.db2.gz LPVVUCSAFHXFTI-UHFFFAOYSA-N -1 3 394.460 2.513 20 30 GFEDHM C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735432008 598649431 /nfs/dbraw/zinc/64/94/31/598649431.db2.gz LPVVUCSAFHXFTI-UHFFFAOYSA-N -1 3 394.460 2.513 20 30 GFEDHM N#CCOc1ccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737697233 598650557 /nfs/dbraw/zinc/65/05/57/598650557.db2.gz YTLMPHHQFPSVNV-UHFFFAOYSA-N -1 3 388.431 2.503 20 30 GFEDHM N#CCOc1ccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737697233 598650558 /nfs/dbraw/zinc/65/05/58/598650558.db2.gz YTLMPHHQFPSVNV-UHFFFAOYSA-N -1 3 388.431 2.503 20 30 GFEDHM N#CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737694603 598656792 /nfs/dbraw/zinc/65/67/92/598656792.db2.gz ONXUKMPIRIKPAV-UHFFFAOYSA-N -1 3 376.420 2.973 20 30 GFEDHM N#CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737694603 598656794 /nfs/dbraw/zinc/65/67/94/598656794.db2.gz ONXUKMPIRIKPAV-UHFFFAOYSA-N -1 3 376.420 2.973 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)c1 ZINC000735391398 598659876 /nfs/dbraw/zinc/65/98/76/598659876.db2.gz RXYBUSGTTVSTEA-UHFFFAOYSA-N -1 3 392.488 2.923 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)c1 ZINC000735391398 598659878 /nfs/dbraw/zinc/65/98/78/598659878.db2.gz RXYBUSGTTVSTEA-UHFFFAOYSA-N -1 3 392.488 2.923 20 30 GFEDHM Cc1oc(NC(=O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(C#N)c1C ZINC000822549211 607365106 /nfs/dbraw/zinc/36/51/06/607365106.db2.gz VXULMKBFEYAXCN-UHFFFAOYSA-N -1 3 391.435 2.551 20 30 GFEDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000738100510 598731219 /nfs/dbraw/zinc/73/12/19/598731219.db2.gz OFDIXNNONIHRQG-UHFFFAOYSA-N -1 3 395.426 2.983 20 30 GFEDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000738100510 598731220 /nfs/dbraw/zinc/73/12/20/598731220.db2.gz OFDIXNNONIHRQG-UHFFFAOYSA-N -1 3 395.426 2.983 20 30 GFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822161616 599362968 /nfs/dbraw/zinc/36/29/68/599362968.db2.gz QYTDCSUNVLHFSO-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822161616 599362970 /nfs/dbraw/zinc/36/29/70/599362970.db2.gz QYTDCSUNVLHFSO-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM N#Cc1ccc(-c2ccn(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)n2)cc1 ZINC000822822935 599384824 /nfs/dbraw/zinc/38/48/24/599384824.db2.gz IQTZRARXICLTIK-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM N#Cc1ccc(-c2ccn(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)n2)cc1 ZINC000822822935 599384828 /nfs/dbraw/zinc/38/48/28/599384828.db2.gz IQTZRARXICLTIK-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819701884 599482250 /nfs/dbraw/zinc/48/22/50/599482250.db2.gz OZNGKKQGFJSYEF-CQSZACIVSA-N -1 3 378.411 2.912 20 30 GFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819701884 599482252 /nfs/dbraw/zinc/48/22/52/599482252.db2.gz OZNGKKQGFJSYEF-CQSZACIVSA-N -1 3 378.411 2.912 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccn2)cc1-c1nnn[n-]1 ZINC000822829819 599632263 /nfs/dbraw/zinc/63/22/63/599632263.db2.gz KPFJRIFISCQBHX-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccn2)cc1-c1nn[n-]n1 ZINC000822829819 599632264 /nfs/dbraw/zinc/63/22/64/599632264.db2.gz KPFJRIFISCQBHX-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)cc1OC ZINC000819759532 607411228 /nfs/dbraw/zinc/41/12/28/607411228.db2.gz YYTYSPYBRQEBFK-UHFFFAOYSA-N -1 3 396.403 2.806 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)cc1OC ZINC000819759532 607411230 /nfs/dbraw/zinc/41/12/30/607411230.db2.gz YYTYSPYBRQEBFK-UHFFFAOYSA-N -1 3 396.403 2.806 20 30 GFEDHM C=CCN1CCC(NC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CC1 ZINC000736107366 600024602 /nfs/dbraw/zinc/02/46/02/600024602.db2.gz WJVMVZKGCBBOTB-UHFFFAOYSA-N -1 3 382.464 2.584 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000820170209 607427952 /nfs/dbraw/zinc/42/79/52/607427952.db2.gz UQJFGIGNFZDGJQ-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000820170209 607427953 /nfs/dbraw/zinc/42/79/53/607427953.db2.gz UQJFGIGNFZDGJQ-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736663545 600594821 /nfs/dbraw/zinc/59/48/21/600594821.db2.gz ZUAYRFNYQBVNGL-SZNDQCEHSA-N -1 3 393.443 2.692 20 30 GFEDHM C#CCN1CCC(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])CC1 ZINC000736080896 600597745 /nfs/dbraw/zinc/59/77/45/600597745.db2.gz ZVKQDZPWXYBGNO-FQEVSTJZSA-N -1 3 378.472 2.545 20 30 GFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000827717906 601301902 /nfs/dbraw/zinc/30/19/02/601301902.db2.gz MSUHKSXKTCKTSP-SPLOXXLWSA-N -1 3 393.443 2.692 20 30 GFEDHM COc1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826201745 607529635 /nfs/dbraw/zinc/52/96/35/607529635.db2.gz COIQMBPCDGSRHV-UHFFFAOYSA-N -1 3 399.867 2.887 20 30 GFEDHM COc1ccc(CNC(=S)Nc2ccc(C#N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826201745 607529636 /nfs/dbraw/zinc/52/96/36/607529636.db2.gz COIQMBPCDGSRHV-UHFFFAOYSA-N -1 3 399.867 2.887 20 30 GFEDHM CN(C(=O)[O-])[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000739585885 601973455 /nfs/dbraw/zinc/97/34/55/601973455.db2.gz QSZPAVZLIKUNDW-GFCCVEGCSA-N -1 3 376.482 2.511 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826383121 607580669 /nfs/dbraw/zinc/58/06/69/607580669.db2.gz LIFDDXMQQHAHBM-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826383121 607580671 /nfs/dbraw/zinc/58/06/71/607580671.db2.gz LIFDDXMQQHAHBM-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Br)nc1 ZINC000819745911 606102311 /nfs/dbraw/zinc/10/23/11/606102311.db2.gz URMFSZUEEALGTJ-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Br)nc1 ZINC000819745911 606102314 /nfs/dbraw/zinc/10/23/14/606102314.db2.gz URMFSZUEEALGTJ-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000819744067 606117430 /nfs/dbraw/zinc/11/74/30/606117430.db2.gz VHKOGVBFXFQBCO-KRWDZBQOSA-N -1 3 396.451 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000819744067 606117431 /nfs/dbraw/zinc/11/74/31/606117431.db2.gz VHKOGVBFXFQBCO-KRWDZBQOSA-N -1 3 396.451 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](COC)c1ccc(C)o1 ZINC000819744068 606117583 /nfs/dbraw/zinc/11/75/83/606117583.db2.gz VHKOGVBFXFQBCO-QGZVFWFLSA-N -1 3 396.451 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](COC)c1ccc(C)o1 ZINC000819744068 606117585 /nfs/dbraw/zinc/11/75/85/606117585.db2.gz VHKOGVBFXFQBCO-QGZVFWFLSA-N -1 3 396.451 2.853 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821127585 606282124 /nfs/dbraw/zinc/28/21/24/606282124.db2.gz KCUOIPRXRRQANU-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821127585 606282125 /nfs/dbraw/zinc/28/21/25/606282125.db2.gz KCUOIPRXRRQANU-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000819781949 606394341 /nfs/dbraw/zinc/39/43/41/606394341.db2.gz FLAWXGUZVVYTIS-MRXNPFEDSA-N -1 3 396.501 2.756 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822800929 606505049 /nfs/dbraw/zinc/50/50/49/606505049.db2.gz AZUTVGQUYAUMJS-OALUTQOASA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822800929 606505051 /nfs/dbraw/zinc/50/50/51/606505051.db2.gz AZUTVGQUYAUMJS-OALUTQOASA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000822800889 606543169 /nfs/dbraw/zinc/54/31/69/606543169.db2.gz AFUPZDYFMNRDGV-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000822800889 606543170 /nfs/dbraw/zinc/54/31/70/606543170.db2.gz AFUPZDYFMNRDGV-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000822801492 606557395 /nfs/dbraw/zinc/55/73/95/606557395.db2.gz KCCDCWWHPBPEMX-HNNXBMFYSA-N -1 3 386.337 2.809 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000822801492 606557397 /nfs/dbraw/zinc/55/73/97/606557397.db2.gz KCCDCWWHPBPEMX-HNNXBMFYSA-N -1 3 386.337 2.809 20 30 GFEDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CON=C1CCC2(CC1)OCCO2 ZINC000822733172 606595401 /nfs/dbraw/zinc/59/54/01/606595401.db2.gz RGWSIBYZBCPBOC-UHFFFAOYSA-N -1 3 395.366 2.658 20 30 GFEDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CON=C1CCC2(CC1)OCCO2 ZINC000822733172 606595403 /nfs/dbraw/zinc/59/54/03/606595403.db2.gz RGWSIBYZBCPBOC-UHFFFAOYSA-N -1 3 395.366 2.658 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](CCO)CC(C)C ZINC000819743370 606640892 /nfs/dbraw/zinc/64/08/92/606640892.db2.gz HOFCYSOAMNCHOL-INIZCTEOSA-N -1 3 386.500 2.609 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](CCO)CC(C)C ZINC000819743370 606640893 /nfs/dbraw/zinc/64/08/93/606640893.db2.gz HOFCYSOAMNCHOL-INIZCTEOSA-N -1 3 386.500 2.609 20 30 GFEDHM N#CCCN(C(=O)CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000822806507 606664840 /nfs/dbraw/zinc/66/48/40/606664840.db2.gz OZNPEXBBDUHBIJ-UHFFFAOYSA-N -1 3 395.448 2.594 20 30 GFEDHM N#CCCN(C(=O)CCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000822806507 606664841 /nfs/dbraw/zinc/66/48/41/606664841.db2.gz OZNPEXBBDUHBIJ-UHFFFAOYSA-N -1 3 395.448 2.594 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NC[C@@H](C)C#N)cc1 ZINC000821703251 606834597 /nfs/dbraw/zinc/83/45/97/606834597.db2.gz WNORVIYWWVHOAP-LBPRGKRZSA-N -1 3 393.407 2.949 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NC[C@@H](C)C#N)cc1 ZINC000821703251 606834599 /nfs/dbraw/zinc/83/45/99/606834599.db2.gz WNORVIYWWVHOAP-LBPRGKRZSA-N -1 3 393.407 2.949 20 30 GFEDHM CCc1nnc(NCCSCc2ccccc2C#N)c(-c2nnn[n-]2)c1CC ZINC000821542760 606917555 /nfs/dbraw/zinc/91/75/55/606917555.db2.gz YREFGHPDEWFIJS-UHFFFAOYSA-N -1 3 394.508 2.998 20 30 GFEDHM CCc1nnc(NCCSCc2ccccc2C#N)c(-c2nn[n-]n2)c1CC ZINC000821542760 606917556 /nfs/dbraw/zinc/91/75/56/606917556.db2.gz YREFGHPDEWFIJS-UHFFFAOYSA-N -1 3 394.508 2.998 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820005366 607117980 /nfs/dbraw/zinc/11/79/80/607117980.db2.gz OSDMFQFLXLAREA-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820005366 607117981 /nfs/dbraw/zinc/11/79/81/607117981.db2.gz OSDMFQFLXLAREA-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1cnccn1 ZINC000819765776 607169165 /nfs/dbraw/zinc/16/91/65/607169165.db2.gz RFMFVZYCFPCKLX-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM C=CCn1c(SCc2ccc(F)c(-c3nn[n-]n3)c2)nnc1-c1cnccn1 ZINC000819765776 607169166 /nfs/dbraw/zinc/16/91/66/607169166.db2.gz RFMFVZYCFPCKLX-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM N#Cc1ccc(OC[C@@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826385954 607843083 /nfs/dbraw/zinc/84/30/83/607843083.db2.gz JCCDNCCFTGKEKT-CYBMUJFWSA-N -1 3 387.852 2.924 20 30 GFEDHM N#Cc1ccc(OC[C@@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826385954 607843084 /nfs/dbraw/zinc/84/30/84/607843084.db2.gz JCCDNCCFTGKEKT-CYBMUJFWSA-N -1 3 387.852 2.924 20 30 GFEDHM C=C(C)[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)OCC ZINC000823872803 607893771 /nfs/dbraw/zinc/89/37/71/607893771.db2.gz DUKVVDAVMLYHAS-GOSISDBHSA-N -1 3 385.468 2.608 20 30 GFEDHM C=C(C)[C@@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)OCC ZINC000823872803 607893772 /nfs/dbraw/zinc/89/37/72/607893772.db2.gz DUKVVDAVMLYHAS-GOSISDBHSA-N -1 3 385.468 2.608 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000826400903 607915962 /nfs/dbraw/zinc/91/59/62/607915962.db2.gz KUGQSQYTSOHXOM-WAPJZHGLSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000826400903 607915963 /nfs/dbraw/zinc/91/59/63/607915963.db2.gz KUGQSQYTSOHXOM-WAPJZHGLSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000826400725 607916060 /nfs/dbraw/zinc/91/60/60/607916060.db2.gz GKLDZWSBEUOLCQ-QHHAFSJGSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000826400725 607916061 /nfs/dbraw/zinc/91/60/61/607916061.db2.gz GKLDZWSBEUOLCQ-QHHAFSJGSA-N -1 3 397.385 2.878 20 30 GFEDHM C=C(C)[C@H](CC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)OCC ZINC000823874424 607923312 /nfs/dbraw/zinc/92/33/12/607923312.db2.gz WQMUOMOGQBZFDK-KRWDZBQOSA-N -1 3 397.435 2.708 20 30 GFEDHM C=C(C)[C@H](CC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)OCC ZINC000823874424 607923313 /nfs/dbraw/zinc/92/33/13/607923313.db2.gz WQMUOMOGQBZFDK-KRWDZBQOSA-N -1 3 397.435 2.708 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823899093 607944592 /nfs/dbraw/zinc/94/45/92/607944592.db2.gz KZWJWQNYAUWDOM-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823899093 607944593 /nfs/dbraw/zinc/94/45/93/607944593.db2.gz KZWJWQNYAUWDOM-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM N#CCc1ccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826382031 607982156 /nfs/dbraw/zinc/98/21/56/607982156.db2.gz LMKGDDDQPYVFCH-UHFFFAOYSA-N -1 3 388.431 2.616 20 30 GFEDHM N#CCc1ccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826382031 607982157 /nfs/dbraw/zinc/98/21/57/607982157.db2.gz LMKGDDDQPYVFCH-UHFFFAOYSA-N -1 3 388.431 2.616 20 30 GFEDHM C#CCOCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823856400 608130716 /nfs/dbraw/zinc/13/07/16/608130716.db2.gz QVLOURIFEKWQCD-HNNXBMFYSA-N -1 3 390.447 2.544 20 30 GFEDHM C#CCOCCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823856400 608130717 /nfs/dbraw/zinc/13/07/17/608130717.db2.gz QVLOURIFEKWQCD-HNNXBMFYSA-N -1 3 390.447 2.544 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCCCc2ccc3c(c2)OCCO3)n1 ZINC000826350458 608390739 /nfs/dbraw/zinc/39/07/39/608390739.db2.gz WYVGJONSWRDLIX-UHFFFAOYSA-N -1 3 385.815 2.717 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCCCc2ccc3c(c2)OCCO3)n1 ZINC000826350458 608390741 /nfs/dbraw/zinc/39/07/41/608390741.db2.gz WYVGJONSWRDLIX-UHFFFAOYSA-N -1 3 385.815 2.717 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000826384897 608480500 /nfs/dbraw/zinc/48/05/00/608480500.db2.gz OJHVMFFKSHOQPV-UHFFFAOYSA-N -1 3 391.822 2.716 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000826384897 608480502 /nfs/dbraw/zinc/48/05/02/608480502.db2.gz OJHVMFFKSHOQPV-UHFFFAOYSA-N -1 3 391.822 2.716 20 30 GFEDHM COc1cc(F)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC ZINC000826179982 608535840 /nfs/dbraw/zinc/53/58/40/608535840.db2.gz NSXMMBMRQVQUKP-UHFFFAOYSA-N -1 3 391.794 2.908 20 30 GFEDHM COc1cc(F)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000826179982 608535842 /nfs/dbraw/zinc/53/58/42/608535842.db2.gz NSXMMBMRQVQUKP-UHFFFAOYSA-N -1 3 391.794 2.908 20 30 GFEDHM C=CC1CCN(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000823882988 608621408 /nfs/dbraw/zinc/62/14/08/608621408.db2.gz HREZASANRRTOOF-UHFFFAOYSA-N -1 3 397.483 2.559 20 30 GFEDHM C=CC1CCN(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000823882988 608621412 /nfs/dbraw/zinc/62/14/12/608621412.db2.gz HREZASANRRTOOF-UHFFFAOYSA-N -1 3 397.483 2.559 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826180626 608879578 /nfs/dbraw/zinc/87/95/78/608879578.db2.gz PVFOWRQXSRPULM-YWEYNIOJSA-N -1 3 381.367 2.869 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826180626 608879579 /nfs/dbraw/zinc/87/95/79/608879579.db2.gz PVFOWRQXSRPULM-YWEYNIOJSA-N -1 3 381.367 2.869 20 30 GFEDHM C#CC[C@@H](OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccn1 ZINC000823837687 609143629 /nfs/dbraw/zinc/14/36/29/609143629.db2.gz FRFCUDCORXBSLZ-LJQANCHMSA-N -1 3 399.414 2.677 20 30 GFEDHM C#CC[C@@H](OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccn1 ZINC000823837687 609143631 /nfs/dbraw/zinc/14/36/31/609143631.db2.gz FRFCUDCORXBSLZ-LJQANCHMSA-N -1 3 399.414 2.677 20 30 GFEDHM C=CCOCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823925954 609181540 /nfs/dbraw/zinc/18/15/40/609181540.db2.gz SKDZKHUJHJHEHU-UHFFFAOYSA-N -1 3 378.436 2.536 20 30 GFEDHM C=CCOCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823925954 609181542 /nfs/dbraw/zinc/18/15/42/609181542.db2.gz SKDZKHUJHJHEHU-UHFFFAOYSA-N -1 3 378.436 2.536 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826183926 609245992 /nfs/dbraw/zinc/24/59/92/609245992.db2.gz FOEXYMCGSDSQOH-UHFFFAOYSA-N -1 3 375.388 2.787 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826183926 609245994 /nfs/dbraw/zinc/24/59/94/609245994.db2.gz FOEXYMCGSDSQOH-UHFFFAOYSA-N -1 3 375.388 2.787 20 30 GFEDHM Cn1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360466 609304935 /nfs/dbraw/zinc/30/49/35/609304935.db2.gz LIWVDRKMDURQEB-UHFFFAOYSA-N -1 3 384.407 2.590 20 30 GFEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826384937 609337589 /nfs/dbraw/zinc/33/75/89/609337589.db2.gz PTASINVPBLYXDU-UHFFFAOYSA-N -1 3 384.193 2.858 20 30 GFEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826384937 609337591 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/nfs/dbraw/zinc/83/86/12/563838612.db2.gz HUGSBXQZXRULBG-SNVBAGLBSA-N -1 3 383.271 2.577 20 30 GFEDHM COCC1CCC([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416599492 563851921 /nfs/dbraw/zinc/85/19/21/563851921.db2.gz WGKLLWNOAIIZGK-UHFFFAOYSA-N -1 3 387.299 2.804 20 30 GFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000451135213 564279316 /nfs/dbraw/zinc/27/93/16/564279316.db2.gz LKXHWLYCBNSFTG-ZETCQYMHSA-N -1 3 384.626 2.525 20 30 GFEDHM C=C(CC)CNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000455549476 564557575 /nfs/dbraw/zinc/55/75/75/564557575.db2.gz XFLGIFYTQMAMAR-UHFFFAOYSA-N -1 3 380.297 2.537 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000573054139 564620905 /nfs/dbraw/zinc/62/09/05/564620905.db2.gz XCPJFGGMZJOGKT-MQMHXKEQSA-N -1 3 392.278 2.940 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)s1 ZINC000486833286 564667872 /nfs/dbraw/zinc/66/78/72/564667872.db2.gz SYBLIRFWGNDWTG-UHFFFAOYSA-N -1 3 389.380 2.713 20 30 GFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000553571562 564727627 /nfs/dbraw/zinc/72/76/27/564727627.db2.gz GZAHYCRMASYMHF-UHFFFAOYSA-N -1 3 387.299 2.992 20 30 GFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccnc1 ZINC000555371257 564791879 /nfs/dbraw/zinc/79/18/79/564791879.db2.gz VSLSIZVKSNYWBY-INIZCTEOSA-N -1 3 379.869 2.645 20 30 GFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000555947297 564809574 /nfs/dbraw/zinc/80/95/74/564809574.db2.gz KOGOYBAKJJNWHZ-UHFFFAOYSA-N -1 3 381.251 2.808 20 30 GFEDHM C=C(C)C[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000557092232 564853247 /nfs/dbraw/zinc/85/32/47/564853247.db2.gz WFROAWWUULHJCZ-LLVKDONJSA-N -1 3 379.309 2.990 20 30 GFEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(F)c(F)c1 ZINC000557833070 564879677 /nfs/dbraw/zinc/87/96/77/564879677.db2.gz DWZKYKREZDPQEE-AWEZNQCLSA-N -1 3 387.433 2.975 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC(=O)c2ccccc21 ZINC000559641496 564937944 /nfs/dbraw/zinc/93/79/44/564937944.db2.gz YUJOUFMKLKUAMT-AWEZNQCLSA-N -1 3 391.246 2.927 20 30 GFEDHM C[C@]1(c2ccc(CNc3ccc(C#N)cc3Br)cc2)NC(=O)[N-]C1=O ZINC000534144657 564980347 /nfs/dbraw/zinc/98/03/47/564980347.db2.gz QMOJUSKKTPHYAK-GOSISDBHSA-N -1 3 399.248 2.987 20 30 GFEDHM CCOC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)C ZINC000561544400 565000311 /nfs/dbraw/zinc/00/03/11/565000311.db2.gz LDVATCZMGCTIMJ-ZDUSSCGKSA-N -1 3 375.288 2.660 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c(C(F)(F)F)c1 ZINC000503225605 565014721 /nfs/dbraw/zinc/01/47/21/565014721.db2.gz ZSYMAKCNNBXEQM-UHFFFAOYSA-N -1 3 386.380 2.765 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)c(Cl)c1 ZINC000503478741 565021131 /nfs/dbraw/zinc/02/11/31/565021131.db2.gz VZAPSWUYQHOQLN-UHFFFAOYSA-N -1 3 375.881 2.943 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000588116075 565126370 /nfs/dbraw/zinc/12/63/70/565126370.db2.gz NBTLGLHHWGLTNV-CQSZACIVSA-N -1 3 393.262 2.992 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000591326438 565224061 /nfs/dbraw/zinc/22/40/61/565224061.db2.gz MVJHCCICAOSAEB-UHFFFAOYSA-N -1 3 387.299 2.542 20 30 GFEDHM N#CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000592027899 565247948 /nfs/dbraw/zinc/24/79/48/565247948.db2.gz QLRHTBOBPTUGTI-UHFFFAOYSA-N -1 3 397.806 2.505 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640308228 565298262 /nfs/dbraw/zinc/29/82/62/565298262.db2.gz FIHCZANLICEWFN-UHFFFAOYSA-N -1 3 379.258 2.833 20 30 GFEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)c(O[C@@H]2CCOC2)c1 ZINC000593563948 565341305 /nfs/dbraw/zinc/34/13/05/565341305.db2.gz VFDMIJUEBOCKHW-CQSZACIVSA-N -1 3 378.475 2.574 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCCC3)c2)s1 ZINC000619547474 565348652 /nfs/dbraw/zinc/34/86/52/565348652.db2.gz CMOWQKVMLCFISN-UHFFFAOYSA-N -1 3 376.507 2.874 20 30 GFEDHM C=CCCC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000620863797 565400846 /nfs/dbraw/zinc/40/08/46/565400846.db2.gz CJZCSSGCOVGMMN-UHFFFAOYSA-N -1 3 378.416 2.845 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000594756828 565415263 /nfs/dbraw/zinc/41/52/63/565415263.db2.gz BJXXSFFNXLUUJV-GFCCVEGCSA-N -1 3 378.397 2.673 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)CO[C@@H]1CCOC1 ZINC000594763748 565416928 /nfs/dbraw/zinc/41/69/28/565416928.db2.gz ZXNTUZVFSMBTQR-SMDDNHRTSA-N -1 3 380.491 2.554 20 30 GFEDHM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773960 565419503 /nfs/dbraw/zinc/41/95/03/565419503.db2.gz UGEVIVRVOGNQRF-CMPLNLGQSA-N -1 3 380.491 2.947 20 30 GFEDHM CCSC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000595351336 565467598 /nfs/dbraw/zinc/46/75/98/565467598.db2.gz RMXPZPBDYQSGSM-UHFFFAOYSA-N -1 3 375.313 2.885 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000604024407 565922496 /nfs/dbraw/zinc/92/24/96/565922496.db2.gz BUJIUCBELCPNFG-ZDUSSCGKSA-N -1 3 384.866 2.856 20 30 GFEDHM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000657037345 566210595 /nfs/dbraw/zinc/21/05/95/566210595.db2.gz XTCSSDQFTGQXRB-WFASDCNBSA-N -1 3 390.502 2.610 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1c(C)noc1C ZINC000735419905 598879317 /nfs/dbraw/zinc/87/93/17/598879317.db2.gz JMTQZLVWUSPPKF-GFCCVEGCSA-N -1 3 381.440 2.930 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1c(C)noc1C ZINC000735419905 598879319 /nfs/dbraw/zinc/87/93/19/598879319.db2.gz JMTQZLVWUSPPKF-GFCCVEGCSA-N -1 3 381.440 2.930 20 30 GFEDHM O=C1Nc2ccc(-c3ccccc3)cc2C1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823547567 607252772 /nfs/dbraw/zinc/25/27/72/607252772.db2.gz KNFWNRDWJDPBDM-UHFFFAOYSA-N -1 3 395.426 2.980 20 30 GFEDHM O=C1Nc2ccc(-c3ccccc3)cc2C1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823547567 607252773 /nfs/dbraw/zinc/25/27/73/607252773.db2.gz KNFWNRDWJDPBDM-UHFFFAOYSA-N -1 3 395.426 2.980 20 30 GFEDHM O=[N+]([O-])c1ccccc1CC(=NNCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823647488 607252827 /nfs/dbraw/zinc/25/28/27/607252827.db2.gz KWVQHOBQXGISAT-UHFFFAOYSA-N -1 3 377.408 2.873 20 30 GFEDHM O=[N+]([O-])c1ccccc1CC(=NNCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823647488 607252828 /nfs/dbraw/zinc/25/28/28/607252828.db2.gz KWVQHOBQXGISAT-UHFFFAOYSA-N -1 3 377.408 2.873 20 30 GFEDHM N#Cc1ccc(NC(=O)c2csc(Br)c2)cc1-c1nnn[n-]1 ZINC000737718666 598917935 /nfs/dbraw/zinc/91/79/35/598917935.db2.gz LTXDPNCOEAGUDW-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM N#Cc1ccc(NC(=O)c2csc(Br)c2)cc1-c1nn[n-]n1 ZINC000737718666 598917936 /nfs/dbraw/zinc/91/79/36/598917936.db2.gz LTXDPNCOEAGUDW-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737115917 598922691 /nfs/dbraw/zinc/92/26/91/598922691.db2.gz QIJPREOUIKDSLV-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737115917 598922693 /nfs/dbraw/zinc/92/26/93/598922693.db2.gz QIJPREOUIKDSLV-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM N#Cc1cc(NC(=O)c2sccc2Br)ccc1-c1nnn[n-]1 ZINC000737709208 598925859 /nfs/dbraw/zinc/92/58/59/598925859.db2.gz JIBUKTWADDRHLH-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM N#Cc1cc(NC(=O)c2sccc2Br)ccc1-c1nn[n-]n1 ZINC000737709208 598925861 /nfs/dbraw/zinc/92/58/61/598925861.db2.gz JIBUKTWADDRHLH-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM C=CCn1c(SCCOc2ccc(-c3nnn[n-]3)cc2OC)nnc1C1CC1 ZINC000735448054 598937763 /nfs/dbraw/zinc/93/77/63/598937763.db2.gz HXJQMDJLZUNWIA-UHFFFAOYSA-N -1 3 399.480 2.701 20 30 GFEDHM C=CCn1c(SCCOc2ccc(-c3nn[n-]n3)cc2OC)nnc1C1CC1 ZINC000735448054 598937764 /nfs/dbraw/zinc/93/77/64/598937764.db2.gz HXJQMDJLZUNWIA-UHFFFAOYSA-N -1 3 399.480 2.701 20 30 GFEDHM N#CCCn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)n1 ZINC000822810473 607254787 /nfs/dbraw/zinc/25/47/87/607254787.db2.gz IXURVYHAIZEKTJ-UHFFFAOYSA-N -1 3 397.446 2.768 20 30 GFEDHM N#CCCn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)n1 ZINC000822810473 607254788 /nfs/dbraw/zinc/25/47/88/607254788.db2.gz IXURVYHAIZEKTJ-UHFFFAOYSA-N -1 3 397.446 2.768 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1O ZINC000821711862 599113185 /nfs/dbraw/zinc/11/31/85/599113185.db2.gz AVICEZJVOJXMET-QPEQYQDCSA-N -1 3 378.388 2.802 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(OC)c1O ZINC000821711862 599113186 /nfs/dbraw/zinc/11/31/86/599113186.db2.gz AVICEZJVOJXMET-QPEQYQDCSA-N -1 3 378.388 2.802 20 30 GFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736598387 599153957 /nfs/dbraw/zinc/15/39/57/599153957.db2.gz DCKNHGZGXDHHBW-UXBLZVDNSA-N -1 3 392.415 2.877 20 30 GFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736598387 599153961 /nfs/dbraw/zinc/15/39/61/599153961.db2.gz DCKNHGZGXDHHBW-UXBLZVDNSA-N -1 3 392.415 2.877 20 30 GFEDHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737189312 599193400 /nfs/dbraw/zinc/19/34/00/599193400.db2.gz DUXXGMDBVROYJO-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737189312 599193403 /nfs/dbraw/zinc/19/34/03/599193403.db2.gz DUXXGMDBVROYJO-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737728835 598308943 /nfs/dbraw/zinc/30/89/43/598308943.db2.gz WWRFTCXQYHBFOU-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737728835 598308944 /nfs/dbraw/zinc/30/89/44/598308944.db2.gz WWRFTCXQYHBFOU-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000736171515 598382260 /nfs/dbraw/zinc/38/22/60/598382260.db2.gz WUEJDCYDWVDMFU-BDJLRTHQSA-N -1 3 382.811 2.668 20 30 GFEDHM CCN(C(=O)CNc1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505583 598382877 /nfs/dbraw/zinc/38/28/77/598382877.db2.gz OIXHFWQNJQRYLF-CQSZACIVSA-N -1 3 375.436 2.760 20 30 GFEDHM CCN(C(=O)CNc1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505583 598382879 /nfs/dbraw/zinc/38/28/79/598382879.db2.gz OIXHFWQNJQRYLF-CQSZACIVSA-N -1 3 375.436 2.760 20 30 GFEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380786 598407837 /nfs/dbraw/zinc/40/78/37/598407837.db2.gz IWVWNXHVJWGBDI-IBGZPJMESA-N -1 3 388.431 2.695 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000735875046 598427820 /nfs/dbraw/zinc/42/78/20/598427820.db2.gz YODHAIWXIAQMFM-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000735875046 598427821 /nfs/dbraw/zinc/42/78/21/598427821.db2.gz YODHAIWXIAQMFM-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCOc2ccccc21 ZINC000735418305 598581521 /nfs/dbraw/zinc/58/15/21/598581521.db2.gz AOWBEBVBSHJSTE-SFHVURJKSA-N -1 3 375.432 2.948 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCOc2ccccc21 ZINC000735418305 598581523 /nfs/dbraw/zinc/58/15/23/598581523.db2.gz AOWBEBVBSHJSTE-SFHVURJKSA-N -1 3 375.432 2.948 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ncc(-c3cccs3)o2)nc1N ZINC000737703568 598582020 /nfs/dbraw/zinc/58/20/20/598582020.db2.gz CTHFVYIZLMFEOA-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ncc(-c3cccs3)o2)nc1N ZINC000737703568 598582021 /nfs/dbraw/zinc/58/20/21/598582021.db2.gz CTHFVYIZLMFEOA-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737717624 598711560 /nfs/dbraw/zinc/71/15/60/598711560.db2.gz HWBOCUWTZYMJMA-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737717624 598711562 /nfs/dbraw/zinc/71/15/62/598711562.db2.gz HWBOCUWTZYMJMA-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc(C)nc1 ZINC000735420755 598731894 /nfs/dbraw/zinc/73/18/94/598731894.db2.gz SMWMYBIQKRXKDG-UHFFFAOYSA-N -1 3 377.452 2.510 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccc(C)nc1 ZINC000735420755 598731895 /nfs/dbraw/zinc/73/18/95/598731895.db2.gz SMWMYBIQKRXKDG-UHFFFAOYSA-N -1 3 377.452 2.510 20 30 GFEDHM N#CCc1cccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737698032 598745901 /nfs/dbraw/zinc/74/59/01/598745901.db2.gz RZWLJLYFYHEJMN-UHFFFAOYSA-N -1 3 388.431 2.616 20 30 GFEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819710015 599300608 /nfs/dbraw/zinc/30/06/08/599300608.db2.gz VSZQUCZYUVQBCE-UHFFFAOYSA-N -1 3 387.852 2.717 20 30 GFEDHM N#Cc1ccccc1N1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000737728060 599426400 /nfs/dbraw/zinc/42/64/00/599426400.db2.gz XFSQFXMKUBFKCM-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM N#Cc1ccccc1N1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737728060 599426402 /nfs/dbraw/zinc/42/64/02/599426402.db2.gz XFSQFXMKUBFKCM-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM CC(C)CCN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820077001 599639851 /nfs/dbraw/zinc/63/98/51/599639851.db2.gz XMMGKFLDVQEMDF-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM CC(C)CCN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820077001 599639852 /nfs/dbraw/zinc/63/98/52/599639852.db2.gz XMMGKFLDVQEMDF-UHFFFAOYSA-N -1 3 375.864 2.720 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824729655 607428310 /nfs/dbraw/zinc/42/83/10/607428310.db2.gz LNDYPDGGKLNWFA-KBXCAEBGSA-N -1 3 376.420 2.795 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733879 607438933 /nfs/dbraw/zinc/43/89/33/607438933.db2.gz DMOYBGACOZKDKY-KRWDZBQOSA-N -1 3 376.420 2.629 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733879 607438934 /nfs/dbraw/zinc/43/89/34/607438934.db2.gz DMOYBGACOZKDKY-KRWDZBQOSA-N -1 3 376.420 2.629 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2OC)cc1-c1nnn[n-]1 ZINC000826180360 607645484 /nfs/dbraw/zinc/64/54/84/607645484.db2.gz DMMGENNUMPFESA-YWEYNIOJSA-N -1 3 393.403 2.738 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2OC)cc1-c1nn[n-]n1 ZINC000826180360 607645485 /nfs/dbraw/zinc/64/54/85/607645485.db2.gz DMMGENNUMPFESA-YWEYNIOJSA-N -1 3 393.403 2.738 20 30 GFEDHM N#CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826381234 607712202 /nfs/dbraw/zinc/71/22/02/607712202.db2.gz CULVRUWPDHYJCK-QGZVFWFLSA-N -1 3 379.399 2.850 20 30 GFEDHM N#CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381234 607712203 /nfs/dbraw/zinc/71/22/03/607712203.db2.gz CULVRUWPDHYJCK-QGZVFWFLSA-N -1 3 379.399 2.850 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000825544560 607760408 /nfs/dbraw/zinc/76/04/08/607760408.db2.gz CDZFADMQYSSKOR-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000825544560 607760409 /nfs/dbraw/zinc/76/04/09/607760409.db2.gz CDZFADMQYSSKOR-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM Cc1ccc(F)cc1NC(=O)C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822240844 606177360 /nfs/dbraw/zinc/17/73/60/606177360.db2.gz BBTTYTNPJOJLFA-UHFFFAOYSA-N -1 3 393.382 2.708 20 30 GFEDHM Cc1ccc(F)cc1NC(=O)C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822240844 606177361 /nfs/dbraw/zinc/17/73/61/606177361.db2.gz BBTTYTNPJOJLFA-UHFFFAOYSA-N -1 3 393.382 2.708 20 30 GFEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)s1 ZINC000822823498 606278798 /nfs/dbraw/zinc/27/87/98/606278798.db2.gz RPWGRJPELLGRJE-UHFFFAOYSA-N -1 3 375.417 2.725 20 30 GFEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)s1 ZINC000822823498 606278800 /nfs/dbraw/zinc/27/88/00/606278800.db2.gz RPWGRJPELLGRJE-UHFFFAOYSA-N -1 3 375.417 2.725 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822801820 606299915 /nfs/dbraw/zinc/29/99/15/606299915.db2.gz PDOXKZJMUAZVBX-DNVCBOLYSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822801820 606299917 /nfs/dbraw/zinc/29/99/17/606299917.db2.gz PDOXKZJMUAZVBX-DNVCBOLYSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822801093 606300801 /nfs/dbraw/zinc/30/08/01/606300801.db2.gz DPKWMADSOJRXRM-PKOBYXMFSA-N -1 3 388.431 2.868 20 30 GFEDHM Cc1cc(C)c(C#N)c(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000822192866 606310675 /nfs/dbraw/zinc/31/06/75/606310675.db2.gz DEUJNJWGRYWLDO-CYBMUJFWSA-N -1 3 397.489 2.709 20 30 GFEDHM Cc1cc(C)c(C#N)c(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822192866 606310676 /nfs/dbraw/zinc/31/06/76/606310676.db2.gz DEUJNJWGRYWLDO-CYBMUJFWSA-N -1 3 397.489 2.709 20 30 GFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000822193286 606310710 /nfs/dbraw/zinc/31/07/10/606310710.db2.gz RAEJXWIHDFPURU-GFCCVEGCSA-N -1 3 397.489 2.709 20 30 GFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000822193286 606310711 /nfs/dbraw/zinc/31/07/11/606310711.db2.gz RAEJXWIHDFPURU-GFCCVEGCSA-N -1 3 397.489 2.709 20 30 GFEDHM S=C(NCCc1ccc(Cl)cc1)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823732932 606369836 /nfs/dbraw/zinc/36/98/36/606369836.db2.gz QDQCZGTWWLHPAM-UHFFFAOYSA-N -1 3 391.913 2.622 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)c1ccncc1 ZINC000819742910 606602400 /nfs/dbraw/zinc/60/24/00/606602400.db2.gz BOSYHDCVRYAXGH-HNNXBMFYSA-N -1 3 377.452 2.763 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)c1ccncc1 ZINC000819742910 606602401 /nfs/dbraw/zinc/60/24/01/606602401.db2.gz BOSYHDCVRYAXGH-HNNXBMFYSA-N -1 3 377.452 2.763 20 30 GFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379314 606771627 /nfs/dbraw/zinc/77/16/27/606771627.db2.gz ABNVSPWQCKYWIZ-NSHDSACASA-N -1 3 381.371 2.791 20 30 GFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379314 606771629 /nfs/dbraw/zinc/77/16/29/606771629.db2.gz ABNVSPWQCKYWIZ-NSHDSACASA-N -1 3 381.371 2.791 20 30 GFEDHM C#CCCCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819693909 606956147 /nfs/dbraw/zinc/95/61/47/606956147.db2.gz YXZDJABXVTZOBM-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM C#CCCCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819693909 606956149 /nfs/dbraw/zinc/95/61/49/606956149.db2.gz YXZDJABXVTZOBM-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM N#Cc1cnc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822842513 607110422 /nfs/dbraw/zinc/11/04/22/607110422.db2.gz LZFFXAJZBOVKNB-UHFFFAOYSA-N -1 3 393.388 2.619 20 30 GFEDHM N#Cc1cnc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822842513 607110423 /nfs/dbraw/zinc/11/04/23/607110423.db2.gz LZFFXAJZBOVKNB-UHFFFAOYSA-N -1 3 393.388 2.619 20 30 GFEDHM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822810975 607197706 /nfs/dbraw/zinc/19/77/06/607197706.db2.gz PXSHJCMOZVCFBT-UHFFFAOYSA-N -1 3 382.815 2.863 20 30 GFEDHM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822810975 607197707 /nfs/dbraw/zinc/19/77/07/607197707.db2.gz PXSHJCMOZVCFBT-UHFFFAOYSA-N -1 3 382.815 2.863 20 30 GFEDHM C[C@@H](C#N)CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000824034444 607823711 /nfs/dbraw/zinc/82/37/11/607823711.db2.gz JXCHQAWBURFEIE-ZDUSSCGKSA-N -1 3 392.419 2.803 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883280 607981039 /nfs/dbraw/zinc/98/10/39/607981039.db2.gz NBVZVHVVPAXYFU-LIRRHRJNSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883280 607981040 /nfs/dbraw/zinc/98/10/40/607981040.db2.gz NBVZVHVVPAXYFU-LIRRHRJNSA-N -1 3 392.415 2.984 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(Cc3cn4ccccc4c3-c3nnn[n-]3)CCO2)c1 ZINC000826386650 608071255 /nfs/dbraw/zinc/07/12/55/608071255.db2.gz NEDRMFCKQCVUKW-IBGZPJMESA-N -1 3 385.431 2.565 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(Cc3cn4ccccc4c3-c3nn[n-]n3)CCO2)c1 ZINC000826386650 608071256 /nfs/dbraw/zinc/07/12/56/608071256.db2.gz NEDRMFCKQCVUKW-IBGZPJMESA-N -1 3 385.431 2.565 20 30 GFEDHM C[C@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000824779967 608125883 /nfs/dbraw/zinc/12/58/83/608125883.db2.gz YRKQVZSEGMAQJS-LJQANCHMSA-N -1 3 399.524 2.761 20 30 GFEDHM C[C@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000824779967 608125884 /nfs/dbraw/zinc/12/58/84/608125884.db2.gz YRKQVZSEGMAQJS-LJQANCHMSA-N -1 3 399.524 2.761 20 30 GFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C=Cc1ccccc1C#N ZINC000825787287 608176952 /nfs/dbraw/zinc/17/69/52/608176952.db2.gz ALRPFESNDQCQSB-NTMALXAHSA-N -1 3 384.403 2.760 20 30 GFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C=Cc1ccccc1C#N ZINC000825787287 608176953 /nfs/dbraw/zinc/17/69/53/608176953.db2.gz ALRPFESNDQCQSB-NTMALXAHSA-N -1 3 384.403 2.760 20 30 GFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824109797 608290805 /nfs/dbraw/zinc/29/08/05/608290805.db2.gz VXEYMGHPZSXWSI-JTQLQIEISA-N -1 3 392.851 2.760 20 30 GFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824109797 608290807 /nfs/dbraw/zinc/29/08/07/608290807.db2.gz VXEYMGHPZSXWSI-JTQLQIEISA-N -1 3 392.851 2.760 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)cc1OC ZINC000823931849 608346666 /nfs/dbraw/zinc/34/66/66/608346666.db2.gz HQGWIYYTWNINFX-UHFFFAOYSA-N -1 3 396.403 2.806 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)cc1OC ZINC000823931849 608346668 /nfs/dbraw/zinc/34/66/68/608346668.db2.gz HQGWIYYTWNINFX-UHFFFAOYSA-N -1 3 396.403 2.806 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888697 608478893 /nfs/dbraw/zinc/47/88/93/608478893.db2.gz UHNOBFDKJDITPB-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888697 608478895 /nfs/dbraw/zinc/47/88/95/608478895.db2.gz UHNOBFDKJDITPB-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(OC(F)F)c1 ZINC000826190872 608537355 /nfs/dbraw/zinc/53/73/55/608537355.db2.gz PSYKVEZQTMRWIL-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(OC(F)F)c1 ZINC000826190872 608537356 /nfs/dbraw/zinc/53/73/56/608537356.db2.gz PSYKVEZQTMRWIL-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000826187365 608879427 /nfs/dbraw/zinc/87/94/27/608879427.db2.gz MTSMHDKFSZGFNB-QPJJXVBHSA-N -1 3 381.367 2.869 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000826187365 608879429 /nfs/dbraw/zinc/87/94/29/608879429.db2.gz MTSMHDKFSZGFNB-QPJJXVBHSA-N -1 3 381.367 2.869 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826380106 609141728 /nfs/dbraw/zinc/14/17/28/609141728.db2.gz NLGZDFQDAZMOJS-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826380106 609141730 /nfs/dbraw/zinc/14/17/30/609141730.db2.gz NLGZDFQDAZMOJS-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM Cc1cc(C(=O)OCC2(C#N)CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260827 609153986 /nfs/dbraw/zinc/15/39/86/609153986.db2.gz GIKPKPCIHZFNRE-UHFFFAOYSA-N -1 3 391.435 2.992 20 30 GFEDHM Cc1cc(C(=O)OCC2(C#N)CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260827 609153988 /nfs/dbraw/zinc/15/39/88/609153988.db2.gz GIKPKPCIHZFNRE-UHFFFAOYSA-N -1 3 391.435 2.992 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824656525 609239804 /nfs/dbraw/zinc/23/98/04/609239804.db2.gz LGQIHQGCFPISCF-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656525 609239805 /nfs/dbraw/zinc/23/98/05/609239805.db2.gz LGQIHQGCFPISCF-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM N#Cc1ccc(OCCNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826386141 609279598 /nfs/dbraw/zinc/27/95/98/609279598.db2.gz QMVDVWDAFDYBNU-UHFFFAOYSA-N -1 3 390.382 2.554 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)cc1-c1nnn[n-]1 ZINC000826385667 609388747 /nfs/dbraw/zinc/38/87/47/609388747.db2.gz WDMFNPOFGIPVDS-UHFFFAOYSA-N -1 3 375.392 2.707 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)cc1-c1nn[n-]n1 ZINC000826385667 609388749 /nfs/dbraw/zinc/38/87/49/609388749.db2.gz WDMFNPOFGIPVDS-UHFFFAOYSA-N -1 3 375.392 2.707 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([N+](=O)[O-])cc1Cl ZINC000826403022 609442728 /nfs/dbraw/zinc/44/27/28/609442728.db2.gz HZBRFIWBEWUENQ-HYXAFXHYSA-N -1 3 395.766 2.972 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([N+](=O)[O-])cc1Cl ZINC000826403022 609442731 /nfs/dbraw/zinc/44/27/31/609442731.db2.gz HZBRFIWBEWUENQ-HYXAFXHYSA-N -1 3 395.766 2.972 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257167 609521880 /nfs/dbraw/zinc/52/18/80/609521880.db2.gz QMJPWSJIKFORMQ-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257167 609521883 /nfs/dbraw/zinc/52/18/83/609521883.db2.gz QMJPWSJIKFORMQ-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM Cc1c(Cl)cnc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1C#N ZINC000826237953 609533999 /nfs/dbraw/zinc/53/39/99/609533999.db2.gz RIFRNDCSFJFNFA-UHFFFAOYSA-N -1 3 394.870 2.812 20 30 GFEDHM Cc1c(Cl)cnc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1C#N ZINC000826237953 609534000 /nfs/dbraw/zinc/53/40/00/609534000.db2.gz RIFRNDCSFJFNFA-UHFFFAOYSA-N -1 3 394.870 2.812 20 30 GFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000820476028 660294772 /nfs/dbraw/zinc/29/47/72/660294772.db2.gz FXASFHQQSMPUNA-ZDUSSCGKSA-N -1 3 383.235 2.598 20 30 GFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)nn1-c1ccc(Cl)cc1Cl ZINC000820475896 660294850 /nfs/dbraw/zinc/29/48/50/660294850.db2.gz CBEWFYQNCKOBCG-LBPRGKRZSA-N -1 3 383.235 2.598 20 30 GFEDHM Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)cs1 ZINC000820481984 660295222 /nfs/dbraw/zinc/29/52/22/660295222.db2.gz BTSROGZORPYOLA-AWEZNQCLSA-N -1 3 377.491 2.854 20 30 GFEDHM C=CCNS(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1F ZINC000820510587 660295668 /nfs/dbraw/zinc/29/56/68/660295668.db2.gz REFZIRONRZOFGP-UHFFFAOYSA-N -1 3 384.816 2.901 20 30 GFEDHM C#CCSCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000835437003 660857523 /nfs/dbraw/zinc/85/75/23/660857523.db2.gz OIFBMCYLXPPHLH-UHFFFAOYSA-N -1 3 381.397 2.600 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(Cl)s1 ZINC000007673885 654475224 /nfs/dbraw/zinc/47/52/24/654475224.db2.gz KVZIIOCTIRTPOP-UHFFFAOYSA-N -1 3 378.837 2.937 20 30 GFEDHM N#CC1(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000121976278 654726546 /nfs/dbraw/zinc/72/65/46/654726546.db2.gz KYEGVSUVXXYQKE-UHFFFAOYSA-N -1 3 390.292 2.614 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@@H](C(C)C)C2)ccc1F ZINC000174287962 655197125 /nfs/dbraw/zinc/19/71/25/655197125.db2.gz QLXXDFWYVRYJMJ-OAHLLOKOSA-N -1 3 386.514 2.504 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](SC)C2)ccc1F ZINC000117214187 655261225 /nfs/dbraw/zinc/26/12/25/655261225.db2.gz GBIMGVLEVJYKRE-KGLIPLIRSA-N -1 3 386.514 2.694 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cn1 ZINC000195442556 655420588 /nfs/dbraw/zinc/42/05/88/655420588.db2.gz BLQAARQQACPZPR-UHFFFAOYSA-N -1 3 376.825 2.534 20 30 GFEDHM C=C1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000264447065 655464063 /nfs/dbraw/zinc/46/40/63/655464063.db2.gz CWIDZPPDGYMYRM-UHFFFAOYSA-N -1 3 377.293 2.840 20 30 GFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[Si](C)(C)C ZINC000740948537 655701141 /nfs/dbraw/zinc/70/11/41/655701141.db2.gz HAWLVSCWKGLIHG-CQSZACIVSA-N -1 3 382.558 2.705 20 30 GFEDHM CC(C)(C/N=C/c1cc(Br)ccc1[O-])[C@H]1COCC12OCCO2 ZINC000840710859 661177388 /nfs/dbraw/zinc/17/73/88/661177388.db2.gz MJFUXZIHCFDEHB-ODGHKMFZSA-N -1 3 384.270 2.989 20 30 GFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(Br)cc2c1OCC2 ZINC000764905332 656122738 /nfs/dbraw/zinc/12/27/38/656122738.db2.gz UVVSZSZYAJZAPH-UHFFFAOYSA-N -1 3 395.278 2.838 20 30 GFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000770378395 656317684 /nfs/dbraw/zinc/31/76/84/656317684.db2.gz BMOWEDGJLBZMQF-MRVPVSSYSA-N -1 3 394.674 2.579 20 30 GFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c1 ZINC000776280611 656726087 /nfs/dbraw/zinc/72/60/87/656726087.db2.gz VEFMUABQWHXLMJ-UHFFFAOYSA-N -1 3 375.178 2.822 20 30 GFEDHM Cc1ccsc1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000778332458 656875990 /nfs/dbraw/zinc/87/59/90/656875990.db2.gz QIULFCRNBSAKKC-GFCCVEGCSA-N -1 3 378.475 2.617 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)cc1Cl ZINC000791772216 658174307 /nfs/dbraw/zinc/17/43/07/658174307.db2.gz ZUVHPWICARXDIL-SNVBAGLBSA-N -1 3 378.841 2.765 20 30 GFEDHM O=[N+]([O-])c1ccc(N=NCc2c(Br)n[n-]c2Br)nc1 ZINC000792973931 658339070 /nfs/dbraw/zinc/33/90/70/658339070.db2.gz OVEPTXGNUOPEGU-UHFFFAOYSA-N -1 3 389.995 2.684 20 30 GFEDHM C#CCCCS(=O)(=O)[N-][C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000805033702 659722571 /nfs/dbraw/zinc/72/25/71/659722571.db2.gz FAHVDXVNOZFBRF-HNNXBMFYSA-N -1 3 392.304 2.800 20 30 GFEDHM C=C(C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1ccccc1 ZINC000805121847 659744508 /nfs/dbraw/zinc/74/45/08/659744508.db2.gz JIVHQERQSVCRCT-UHFFFAOYSA-N -1 3 391.923 2.797 20 30 GFEDHM O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@@H]1CCN([O-])C1=O ZINC000816695444 660165531 /nfs/dbraw/zinc/16/55/31/660165531.db2.gz CCKFHEBFKJDZIL-GFCCVEGCSA-N -1 3 384.219 2.687 20 30 GFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000849459295 661729384 /nfs/dbraw/zinc/72/93/84/661729384.db2.gz PGRYFMPJUNCBSP-UHFFFAOYSA-N -1 3 382.265 2.651 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CCOCC1 ZINC000851829658 661835994 /nfs/dbraw/zinc/83/59/94/661835994.db2.gz JQVCMBPHSYUNAU-CYBMUJFWSA-N -1 3 392.702 2.809 20 30 GFEDHM CN(C(=O)COC(=O)c1cc([O-])cc(Br)c1)C1(C#N)CCCCC1 ZINC000860203028 662192528 /nfs/dbraw/zinc/19/25/28/662192528.db2.gz VDWYNQWCRFRFPW-UHFFFAOYSA-N -1 3 395.253 2.996 20 30 GFEDHM Cc1cc(Br)c(Cl)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000880095213 662951021 /nfs/dbraw/zinc/95/10/21/662951021.db2.gz YSFFUXFAHXTYAK-JTQLQIEISA-N -1 3 376.638 2.913 20 30 GFEDHM C#CCC1([N-]S(=O)(=O)c2cc(C)c(Br)s2)CCOCC1 ZINC000885838852 663098987 /nfs/dbraw/zinc/09/89/87/663098987.db2.gz USTFDNVUKBHIPM-UHFFFAOYSA-N -1 3 378.313 2.670 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CC(F)F)ccc1F ZINC000893375269 663408603 /nfs/dbraw/zinc/40/86/03/663408603.db2.gz ZBHFCYGCLUXPOG-UHFFFAOYSA-N -1 3 378.416 2.701 20 30 GFEDHM Cc1cc(Br)c(NCc2nc3c(c(=O)[n-]2)COCC3)c(C#N)c1 ZINC000895040051 663496776 /nfs/dbraw/zinc/49/67/76/663496776.db2.gz HYCGNRKENUKOTL-UHFFFAOYSA-N -1 3 375.226 2.810 20 30 GFEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)s1 ZINC000907111129 664002952 /nfs/dbraw/zinc/00/29/52/664002952.db2.gz GBNDZECNTFAWCL-SSDOTTSWSA-N -1 3 387.284 2.520 20 30 GFEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000920943885 664534559 /nfs/dbraw/zinc/53/45/59/664534559.db2.gz CKWVWXTXQSAFRL-OAOMGELKSA-N -1 3 383.267 2.982 20 30 GFEDHM C#CCN(C(=O)c1c[n-]c2ccc(I)cc2c1=O)C(C)C ZINC000928626470 664736118 /nfs/dbraw/zinc/73/61/18/664736118.db2.gz FPBWVHVAOYKFCX-UHFFFAOYSA-N -1 3 394.212 2.617 20 30 GFEDHM CCCN(CC#N)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000151204471 551409061 /nfs/dbraw/zinc/40/90/61/551409061.db2.gz FHKNKXYWANWDAJ-UHFFFAOYSA-N -1 3 395.200 2.508 20 30 GFEDHM CCCN(CC#N)C(=O)c1cnc2ccc(I)cc2c1[O-] ZINC000151204471 551409062 /nfs/dbraw/zinc/40/90/62/551409062.db2.gz FHKNKXYWANWDAJ-UHFFFAOYSA-N -1 3 395.200 2.508 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cncc(Br)c1 ZINC000155851572 551509068 /nfs/dbraw/zinc/50/90/68/551509068.db2.gz CDODKSVSXFOYDB-UHFFFAOYSA-N -1 3 375.226 2.592 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1csc(N2CCCC2)n1 ZINC000157588872 551539831 /nfs/dbraw/zinc/53/98/31/551539831.db2.gz NXQNTTDLQUVQKE-UHFFFAOYSA-N -1 3 396.925 2.789 20 30 GFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000160800830 551585352 /nfs/dbraw/zinc/58/53/52/551585352.db2.gz MEFGGXFVUVMZRT-QMMMGPOBSA-N -1 3 382.077 2.792 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000178846916 552177255 /nfs/dbraw/zinc/17/72/55/552177255.db2.gz QOAKFWGMEGFTEB-CQSZACIVSA-N -1 3 398.271 2.760 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)c(Cl)c1 ZINC000180133341 552214470 /nfs/dbraw/zinc/21/44/70/552214470.db2.gz RNGXHDASPDYIHK-GFCCVEGCSA-N -1 3 397.287 2.817 20 30 GFEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000186668875 552394182 /nfs/dbraw/zinc/39/41/82/552394182.db2.gz MXYBIEXTMNWOEC-SECBINFHSA-N -1 3 388.205 2.683 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188551803 552447750 /nfs/dbraw/zinc/44/77/50/552447750.db2.gz ZPYSJNCMVMVZPK-QMTHXVAHSA-N -1 3 396.818 2.974 20 30 GFEDHM CC(C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000192130110 552552590 /nfs/dbraw/zinc/55/25/90/552552590.db2.gz DGPYYSNYZRETOO-LLVKDONJSA-N -1 3 384.866 2.827 20 30 GFEDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC ZINC000451682313 564339207 /nfs/dbraw/zinc/33/92/07/564339207.db2.gz QXAGCIIXNXVYPK-GWCFXTLKSA-N -1 3 375.288 2.660 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Br)ccn1 ZINC000295524146 563251538 /nfs/dbraw/zinc/25/15/38/563251538.db2.gz GNLIKNIQAXEOLD-UHFFFAOYSA-N -1 3 389.253 2.682 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000295723883 563260050 /nfs/dbraw/zinc/26/00/50/563260050.db2.gz LZLIQYOKIGKIKO-ONGXEEELSA-N -1 3 388.243 2.718 20 30 GFEDHM N#CCCC[C@@H](N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000424111101 563370780 /nfs/dbraw/zinc/37/07/80/563370780.db2.gz FPPILBAHHNJZDO-GFCCVEGCSA-N -1 3 396.676 2.874 20 30 GFEDHM C=CCCS(=O)(=O)[N-]c1cnn(CC(=O)Nc2ccc(SC)cc2)c1 ZINC000431190428 563556316 /nfs/dbraw/zinc/55/63/16/563556316.db2.gz BGKGQXGCPGVCIL-UHFFFAOYSA-N -1 3 380.495 2.562 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(F)(F)Br ZINC000288453680 563643641 /nfs/dbraw/zinc/64/36/41/563643641.db2.gz ZJDHQKOXLWJQQM-UHFFFAOYSA-N -1 3 376.201 2.654 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000435448132 563652110 /nfs/dbraw/zinc/65/21/10/563652110.db2.gz STFGLKUJRFBHBR-CYBMUJFWSA-N -1 3 395.893 2.747 20 30 GFEDHM CN1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000414467089 563741753 /nfs/dbraw/zinc/74/17/53/563741753.db2.gz VYFZJPHOTYTYMZ-WBVHZDCISA-N -1 3 375.881 2.588 20 30 GFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)N1CCc2sccc2C1 ZINC000443021245 563787933 /nfs/dbraw/zinc/78/79/33/563787933.db2.gz DCYDJGRDBSNCOB-GFCCVEGCSA-N -1 3 395.937 2.998 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F)c1 ZINC000443938730 563815459 /nfs/dbraw/zinc/81/54/59/563815459.db2.gz FNFJZEHTQKNHCV-SMDDNHRTSA-N -1 3 378.416 2.858 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCC[C@@H]1O ZINC000416419438 563826598 /nfs/dbraw/zinc/82/65/98/563826598.db2.gz SNQBNMWDPNRYEM-GJZGRUSLSA-N -1 3 387.299 2.540 20 30 GFEDHM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416453738 563830664 /nfs/dbraw/zinc/83/06/64/563830664.db2.gz GNVNGEYVYXVTKM-UHFFFAOYSA-N -1 3 375.288 2.804 20 30 GFEDHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000416558076 563848354 /nfs/dbraw/zinc/84/83/54/563848354.db2.gz IDTPYCARQVKBFM-UONOGXRCSA-N -1 3 385.283 2.557 20 30 GFEDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000416624811 563854912 /nfs/dbraw/zinc/85/49/12/563854912.db2.gz PMXGZLIZQPTXQH-UHFFFAOYSA-N -1 3 375.288 2.803 20 30 GFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000508110477 564254615 /nfs/dbraw/zinc/25/46/15/564254615.db2.gz FAHRDFRFUZDGBD-GFCCVEGCSA-N -1 3 381.292 2.902 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccsc1Br ZINC000509334829 564293801 /nfs/dbraw/zinc/29/38/01/564293801.db2.gz BWAGVFMJTMJJQI-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475785819 564320125 /nfs/dbraw/zinc/32/01/25/564320125.db2.gz GHBQNOZYAYYSLW-UONOGXRCSA-N -1 3 383.901 2.573 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000542754372 564324632 /nfs/dbraw/zinc/32/46/32/564324632.db2.gz VVAMPGYTCHIAGT-AWEZNQCLSA-N -1 3 378.416 2.858 20 30 GFEDHM C=CCN(CC=C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000510383999 564331998 /nfs/dbraw/zinc/33/19/98/564331998.db2.gz VSJGWFJLPFNKBT-UHFFFAOYSA-N -1 3 392.308 2.655 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccn1 ZINC000451671580 564337997 /nfs/dbraw/zinc/33/79/97/564337997.db2.gz MCXZOMQNBYBKNI-UHFFFAOYSA-N -1 3 394.294 2.972 20 30 GFEDHM N#CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000566680565 564338043 /nfs/dbraw/zinc/33/80/43/564338043.db2.gz VSZLWJXXTMTKJW-UHFFFAOYSA-N -1 3 390.292 2.566 20 30 GFEDHM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000451896743 564363827 /nfs/dbraw/zinc/36/38/27/564363827.db2.gz BTKWGCPOAHVKGG-ZIAGYGMSSA-N -1 3 375.535 2.591 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000567306340 564365799 /nfs/dbraw/zinc/36/57/99/564365799.db2.gz VWZZWDHJWWWOAF-UHFFFAOYSA-N -1 3 376.419 2.530 20 30 GFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)OCC ZINC000452026157 564383983 /nfs/dbraw/zinc/38/39/83/564383983.db2.gz XQCHYMRUPNOWOK-VIFPVBQESA-N -1 3 382.301 2.687 20 30 GFEDHM C=CCSCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000512815758 564412423 /nfs/dbraw/zinc/41/24/23/564412423.db2.gz SEBDVVCNQKSSMM-UHFFFAOYSA-N -1 3 389.518 2.943 20 30 GFEDHM CC(C)(CCC#N)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000568922003 564440897 /nfs/dbraw/zinc/44/08/97/564440897.db2.gz KTARKVJNMHFMEZ-UHFFFAOYSA-N -1 3 392.308 2.718 20 30 GFEDHM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000487352300 564684187 /nfs/dbraw/zinc/68/41/87/564684187.db2.gz JMDMPYPEGSEYQR-ZDUSSCGKSA-N -1 3 390.502 2.707 20 30 GFEDHM C=C[C@@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552945771 564705520 /nfs/dbraw/zinc/70/55/20/564705520.db2.gz FCPUNDGXYHPJLP-HNNXBMFYSA-N -1 3 379.309 2.990 20 30 GFEDHM COc1cccc(OC(F)(F)F)c1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553880221 564742479 /nfs/dbraw/zinc/74/24/79/564742479.db2.gz CCEIIVHOORQGGY-UHFFFAOYSA-N -1 3 376.312 2.537 20 30 GFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000493721046 564811179 /nfs/dbraw/zinc/81/11/79/564811179.db2.gz BIPPTCNOXCARHE-ZDUSSCGKSA-N -1 3 382.482 2.769 20 30 GFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493928587 564814200 /nfs/dbraw/zinc/81/42/00/564814200.db2.gz UWGSZKICGIJEPK-ZETCQYMHSA-N -1 3 379.232 2.527 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000582163238 564833220 /nfs/dbraw/zinc/83/32/20/564833220.db2.gz KXHVTGMBQRTVMR-GDBMZVCRSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1cc(C(=O)Nc2n[n-]c(-c3ccc(Br)cc3F)n2)c[nH]1 ZINC000495440721 564854262 /nfs/dbraw/zinc/85/42/62/564854262.db2.gz WECXOUILRUVNGK-UHFFFAOYSA-N -1 3 375.161 2.825 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000583244813 564882655 /nfs/dbraw/zinc/88/26/55/564882655.db2.gz WGKSZUGBKDKKIL-BBRMVZONSA-N -1 3 377.853 2.805 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)CCC1 ZINC000583613696 564899803 /nfs/dbraw/zinc/89/98/03/564899803.db2.gz FIDVCEIPLAJOPW-ZDUSSCGKSA-N -1 3 384.885 2.727 20 30 GFEDHM C=CCCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000468402441 564983263 /nfs/dbraw/zinc/98/32/63/564983263.db2.gz PPRTURXMTJDUSV-UHFFFAOYSA-N -1 3 382.201 2.829 20 30 GFEDHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000503219325 565014424 /nfs/dbraw/zinc/01/44/24/565014424.db2.gz FTFZZIPRBINIRV-GFCCVEGCSA-N -1 3 378.837 2.502 20 30 GFEDHM COc1ccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000503473116 565020175 /nfs/dbraw/zinc/02/01/75/565020175.db2.gz GJKLGJORHUTYNK-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000562733396 565040451 /nfs/dbraw/zinc/04/04/51/565040451.db2.gz YIHSIKVBZIZOAW-MLGOLLRUSA-N -1 3 377.853 2.805 20 30 GFEDHM C[C@@]1(c2ccc(CNc3cccc(Br)c3C#N)cc2)NC(=O)[N-]C1=O ZINC000589571161 565166208 /nfs/dbraw/zinc/16/62/08/565166208.db2.gz PNCWRGIPWGBFCU-SFHVURJKSA-N -1 3 399.248 2.987 20 30 GFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21 ZINC000618715740 565313031 /nfs/dbraw/zinc/31/30/31/565313031.db2.gz JKFDWDHXTWSIAA-AWEZNQCLSA-N -1 3 376.459 2.681 20 30 GFEDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccsc2C#N)CCOCC1 ZINC000593535490 565339607 /nfs/dbraw/zinc/33/96/07/565339607.db2.gz LFKDTLFJJXZXAV-UHFFFAOYSA-N -1 3 376.503 2.955 20 30 GFEDHM CCOc1cc(CCC[N-]S(=O)(=O)c2ccsc2C#N)ccc1OC ZINC000593547524 565340667 /nfs/dbraw/zinc/34/06/67/565340667.db2.gz SKBVPSJNNQMNMX-UHFFFAOYSA-N -1 3 380.491 2.938 20 30 GFEDHM CCc1nc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)cn1CC1CC1 ZINC000595326682 565464722 /nfs/dbraw/zinc/46/47/22/565464722.db2.gz OXJYZTFZIANNHK-UHFFFAOYSA-N -1 3 378.885 2.859 20 30 GFEDHM C=CC[C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000664510339 565466086 /nfs/dbraw/zinc/46/60/86/565466086.db2.gz ANYZELVXICAZNM-GFCCVEGCSA-N -1 3 391.946 2.678 20 30 GFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000677422723 565973897 /nfs/dbraw/zinc/97/38/97/565973897.db2.gz PFSPRJJSMNOYMW-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000611114359 566114888 /nfs/dbraw/zinc/11/48/88/566114888.db2.gz JPQRCMQBUHQUMT-LLVKDONJSA-N -1 3 378.372 2.709 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000819772910 607252471 /nfs/dbraw/zinc/25/24/71/607252471.db2.gz MSLAVDUTZMYWHZ-UHFFFAOYSA-N -1 3 375.436 2.507 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000819772910 607252472 /nfs/dbraw/zinc/25/24/72/607252472.db2.gz MSLAVDUTZMYWHZ-UHFFFAOYSA-N -1 3 375.436 2.507 20 30 GFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000736039103 598884371 /nfs/dbraw/zinc/88/43/71/598884371.db2.gz ZODWTIGRMCEWHY-ZIAGYGMSSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000736039103 598884373 /nfs/dbraw/zinc/88/43/73/598884373.db2.gz ZODWTIGRMCEWHY-ZIAGYGMSSA-N -1 3 393.403 2.516 20 30 GFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737802899 599221856 /nfs/dbraw/zinc/22/18/56/599221856.db2.gz YBGSEDIHWLIPMR-RUDMXATFSA-N -1 3 390.371 2.759 20 30 GFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737802899 599221858 /nfs/dbraw/zinc/22/18/58/599221858.db2.gz YBGSEDIHWLIPMR-RUDMXATFSA-N -1 3 390.371 2.759 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819740165 607275546 /nfs/dbraw/zinc/27/55/46/607275546.db2.gz RTEKBHMTAOTQDB-UHFFFAOYSA-N -1 3 382.468 2.709 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819740165 607275547 /nfs/dbraw/zinc/27/55/47/607275547.db2.gz RTEKBHMTAOTQDB-UHFFFAOYSA-N -1 3 382.468 2.709 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737950987 597183211 /nfs/dbraw/zinc/18/32/11/597183211.db2.gz ZEIROJRDXDSLGV-UHFFFAOYSA-N -1 3 380.448 2.781 20 30 GFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000736821409 599269577 /nfs/dbraw/zinc/26/95/77/599269577.db2.gz FOZKRNGKKGNWLW-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000736821409 599269579 /nfs/dbraw/zinc/26/95/79/599269579.db2.gz FOZKRNGKKGNWLW-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000736488719 599277400 /nfs/dbraw/zinc/27/74/00/599277400.db2.gz RLKHVIKFENHFFE-CYBMUJFWSA-N -1 3 391.435 2.966 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000737674355 598536899 /nfs/dbraw/zinc/53/68/99/598536899.db2.gz JLVXTLYXOCDPHI-NSHDSACASA-N -1 3 394.338 2.821 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000737674355 598536901 /nfs/dbraw/zinc/53/69/01/598536901.db2.gz JLVXTLYXOCDPHI-NSHDSACASA-N -1 3 394.338 2.821 20 30 GFEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380112 598562412 /nfs/dbraw/zinc/56/24/12/598562412.db2.gz CEVGLXCKFJJEEO-IBGZPJMESA-N -1 3 388.431 2.695 20 30 GFEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380112 598562413 /nfs/dbraw/zinc/56/24/13/598562413.db2.gz CEVGLXCKFJJEEO-IBGZPJMESA-N -1 3 388.431 2.695 20 30 GFEDHM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000737793952 598568662 /nfs/dbraw/zinc/56/86/62/598568662.db2.gz AIGZGJWWYIXOMY-GQCTYLIASA-N -1 3 386.371 2.882 20 30 GFEDHM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000737793952 598568663 /nfs/dbraw/zinc/56/86/63/598568663.db2.gz AIGZGJWWYIXOMY-GQCTYLIASA-N -1 3 386.371 2.882 20 30 GFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000737023746 598646952 /nfs/dbraw/zinc/64/69/52/598646952.db2.gz CECPXDRREPWTOI-UHFFFAOYSA-N -1 3 399.794 2.579 20 30 GFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1ccc(OCC#N)cc1 ZINC000737023746 598646953 /nfs/dbraw/zinc/64/69/53/598646953.db2.gz CECPXDRREPWTOI-UHFFFAOYSA-N -1 3 399.794 2.579 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)nc1 ZINC000737719782 598661505 /nfs/dbraw/zinc/66/15/05/598661505.db2.gz VTLDALMOSYWKRS-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)nc1 ZINC000737719782 598661507 /nfs/dbraw/zinc/66/15/07/598661507.db2.gz VTLDALMOSYWKRS-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737686446 598669314 /nfs/dbraw/zinc/66/93/14/598669314.db2.gz IMOHTEMUOLETQR-UHFFFAOYSA-N -1 3 395.448 2.675 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737686446 598669316 /nfs/dbraw/zinc/66/93/16/598669316.db2.gz IMOHTEMUOLETQR-UHFFFAOYSA-N -1 3 395.448 2.675 20 30 GFEDHM N#Cc1cc(F)ccc1COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737705150 598711411 /nfs/dbraw/zinc/71/14/11/598711411.db2.gz NEXSHQPCHIXVEP-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000735419922 598717937 /nfs/dbraw/zinc/71/79/37/598717937.db2.gz KETQPWZFCNZUAV-UHFFFAOYSA-N -1 3 376.424 2.754 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000735419922 598717939 /nfs/dbraw/zinc/71/79/39/598717939.db2.gz KETQPWZFCNZUAV-UHFFFAOYSA-N -1 3 376.424 2.754 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)cn1 ZINC000735390266 598734420 /nfs/dbraw/zinc/73/44/20/598734420.db2.gz VXQRVNNRWFFAGU-UHFFFAOYSA-N -1 3 387.428 2.543 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)cn1 ZINC000735390266 598734421 /nfs/dbraw/zinc/73/44/21/598734421.db2.gz VXQRVNNRWFFAGU-UHFFFAOYSA-N -1 3 387.428 2.543 20 30 GFEDHM N#Cc1cc(Cl)ccc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737703109 598796677 /nfs/dbraw/zinc/79/66/77/598796677.db2.gz AKNQXFZKJBFKTK-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1-c1nnn[n-]1 ZINC000820173959 607374167 /nfs/dbraw/zinc/37/41/67/607374167.db2.gz NWFKOGFNYIPOND-UHFFFAOYSA-N -1 3 391.435 2.771 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1-c1nn[n-]n1 ZINC000820173959 607374169 /nfs/dbraw/zinc/37/41/69/607374169.db2.gz NWFKOGFNYIPOND-UHFFFAOYSA-N -1 3 391.435 2.771 20 30 GFEDHM C=CCN(CC=C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000819742895 599690228 /nfs/dbraw/zinc/69/02/28/599690228.db2.gz BMCZRSOSEZSUMR-UHFFFAOYSA-N -1 3 391.479 2.887 20 30 GFEDHM C=CCN(CC=C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000819742895 599690229 /nfs/dbraw/zinc/69/02/29/599690229.db2.gz BMCZRSOSEZSUMR-UHFFFAOYSA-N -1 3 391.479 2.887 20 30 GFEDHM N#Cc1cccc(OC2CCN(C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000739134193 599795122 /nfs/dbraw/zinc/79/51/22/599795122.db2.gz YDDKTPBCUOBLDF-GOSISDBHSA-N -1 3 396.443 2.540 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824729666 607428268 /nfs/dbraw/zinc/42/82/68/607428268.db2.gz LNDYPDGGKLNWFA-KDOFPFPSSA-N -1 3 376.420 2.795 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccc(C#N)cc2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327448 607440672 /nfs/dbraw/zinc/44/06/72/607440672.db2.gz HZRVWVYGGVENLX-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccc(C#N)cc2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327448 607440673 /nfs/dbraw/zinc/44/06/73/607440673.db2.gz HZRVWVYGGVENLX-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN(CCC(=O)[O-])C2CCOCC2)c1 ZINC000832876064 600858221 /nfs/dbraw/zinc/85/82/21/600858221.db2.gz GSMUAHSYEQRUHE-UHFFFAOYSA-N -1 3 387.480 2.506 20 30 GFEDHM C#CCN1CCC(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)CC1 ZINC000736080692 600867112 /nfs/dbraw/zinc/86/71/12/600867112.db2.gz WPKZAKVHIUGVIO-UHFFFAOYSA-N -1 3 383.217 2.570 20 30 GFEDHM N#Cc1ccc(CCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000833071299 601731081 /nfs/dbraw/zinc/73/10/81/601731081.db2.gz DWDVXDDHKFADBS-HSZRJFAPSA-N -1 3 391.471 2.726 20 30 GFEDHM COc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826200491 607553471 /nfs/dbraw/zinc/55/34/71/607553471.db2.gz SIHOTVKZMNPILO-UHFFFAOYSA-N -1 3 394.439 2.625 20 30 GFEDHM COc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826200491 607553472 /nfs/dbraw/zinc/55/34/72/607553472.db2.gz SIHOTVKZMNPILO-UHFFFAOYSA-N -1 3 394.439 2.625 20 30 GFEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)s1 ZINC000826384454 607741461 /nfs/dbraw/zinc/74/14/61/607741461.db2.gz WJLPPPKPIPXNKI-UHFFFAOYSA-N -1 3 375.417 2.725 20 30 GFEDHM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)s1 ZINC000826384454 607741462 /nfs/dbraw/zinc/74/14/62/607741462.db2.gz WJLPPPKPIPXNKI-UHFFFAOYSA-N -1 3 375.417 2.725 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000825538434 607757659 /nfs/dbraw/zinc/75/76/59/607757659.db2.gz HGKVCKDPHFQLTL-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000825538434 607757660 /nfs/dbraw/zinc/75/76/60/607757660.db2.gz HGKVCKDPHFQLTL-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C1=O ZINC000821051125 606203984 /nfs/dbraw/zinc/20/39/84/606203984.db2.gz YKRZVPYRPDMDOI-KRWDZBQOSA-N -1 3 389.485 2.933 20 30 GFEDHM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C1=O ZINC000821051125 606203985 /nfs/dbraw/zinc/20/39/85/606203985.db2.gz YKRZVPYRPDMDOI-KRWDZBQOSA-N -1 3 389.485 2.933 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](CCO)CC(C)C ZINC000819743372 606640949 /nfs/dbraw/zinc/64/09/49/606640949.db2.gz HOFCYSOAMNCHOL-MRXNPFEDSA-N -1 3 386.500 2.609 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](CCO)CC(C)C ZINC000819743372 606640950 /nfs/dbraw/zinc/64/09/50/606640950.db2.gz HOFCYSOAMNCHOL-MRXNPFEDSA-N -1 3 386.500 2.609 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820219663 606657105 /nfs/dbraw/zinc/65/71/05/606657105.db2.gz HZWNISJAVQLSIG-GFCCVEGCSA-N -1 3 378.396 2.820 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820219663 606657106 /nfs/dbraw/zinc/65/71/06/606657106.db2.gz HZWNISJAVQLSIG-GFCCVEGCSA-N -1 3 378.396 2.820 20 30 GFEDHM N#CCOc1cc(F)ccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822810072 606746092 /nfs/dbraw/zinc/74/60/92/606746092.db2.gz BOUXTESOILEJDB-UHFFFAOYSA-N -1 3 398.423 2.780 20 30 GFEDHM N#CCOc1cc(F)ccc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822810072 606746094 /nfs/dbraw/zinc/74/60/94/606746094.db2.gz BOUXTESOILEJDB-UHFFFAOYSA-N -1 3 398.423 2.780 20 30 GFEDHM COC[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821681542 606747709 /nfs/dbraw/zinc/74/77/09/606747709.db2.gz NGRFDKRBOMWADQ-BXUZGUMPSA-N -1 3 382.449 2.839 20 30 GFEDHM COC[C@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821681542 606747710 /nfs/dbraw/zinc/74/77/10/606747710.db2.gz NGRFDKRBOMWADQ-BXUZGUMPSA-N -1 3 382.449 2.839 20 30 GFEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822825496 606793738 /nfs/dbraw/zinc/79/37/38/606793738.db2.gz HZFGYJGRUKHQNK-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822825496 606793740 /nfs/dbraw/zinc/79/37/40/606793740.db2.gz HZFGYJGRUKHQNK-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c(F)cccc1N1CCOCC1 ZINC000822922989 606977816 /nfs/dbraw/zinc/97/78/16/606977816.db2.gz LXEOCISOXWPAIX-XQRVVYSFSA-N -1 3 385.424 2.800 20 30 GFEDHM C=C(C)Cn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1ccncc1 ZINC000819722770 607035849 /nfs/dbraw/zinc/03/58/49/607035849.db2.gz QNBKXSMYYKUSMB-UHFFFAOYSA-N -1 3 377.437 2.643 20 30 GFEDHM C=C(C)Cn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1ccncc1 ZINC000819722770 607035851 /nfs/dbraw/zinc/03/58/51/607035851.db2.gz QNBKXSMYYKUSMB-UHFFFAOYSA-N -1 3 377.437 2.643 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000819710104 607147831 /nfs/dbraw/zinc/14/78/31/607147831.db2.gz WGIYYMYKDSENPT-UHFFFAOYSA-N -1 3 386.444 2.650 20 30 GFEDHM C#Cc1cccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000819710104 607147833 /nfs/dbraw/zinc/14/78/33/607147833.db2.gz WGIYYMYKDSENPT-UHFFFAOYSA-N -1 3 386.444 2.650 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)c1c(C)noc1C ZINC000823909537 607781950 /nfs/dbraw/zinc/78/19/50/607781950.db2.gz IFGARBUVDNXILK-CYBMUJFWSA-N -1 3 395.467 2.973 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)c1c(C)noc1C ZINC000823909537 607781951 /nfs/dbraw/zinc/78/19/51/607781951.db2.gz IFGARBUVDNXILK-CYBMUJFWSA-N -1 3 395.467 2.973 20 30 GFEDHM C[C@H](C#N)CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000824034065 607823824 /nfs/dbraw/zinc/82/38/24/607823824.db2.gz GVXDQDQPOCPBGW-CYBMUJFWSA-N -1 3 389.419 2.818 20 30 GFEDHM C[C@H](C#N)CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000824034065 607823825 /nfs/dbraw/zinc/82/38/25/607823825.db2.gz GVXDQDQPOCPBGW-CYBMUJFWSA-N -1 3 389.419 2.818 20 30 GFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1)OCC ZINC000823873988 607908682 /nfs/dbraw/zinc/90/86/82/607908682.db2.gz QUSQVGYQWNMQDR-HNNXBMFYSA-N -1 3 388.428 2.745 20 30 GFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1)OCC ZINC000823873988 607908683 /nfs/dbraw/zinc/90/86/83/607908683.db2.gz QUSQVGYQWNMQDR-HNNXBMFYSA-N -1 3 388.428 2.745 20 30 GFEDHM C=C(C)[C@H](CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1)OCC ZINC000823873964 607921191 /nfs/dbraw/zinc/92/11/91/607921191.db2.gz QMJFEJSLSBICHN-NSHDSACASA-N -1 3 393.469 2.723 20 30 GFEDHM C=C(C)[C@H](CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1)OCC ZINC000823873964 607921192 /nfs/dbraw/zinc/92/11/92/607921192.db2.gz QMJFEJSLSBICHN-NSHDSACASA-N -1 3 393.469 2.723 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)ccc1-c1nnn[n-]1 ZINC000826384410 607962591 /nfs/dbraw/zinc/96/25/91/607962591.db2.gz UMAVGALBFLINCJ-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)ccc1-c1nn[n-]n1 ZINC000826384410 607962592 /nfs/dbraw/zinc/96/25/92/607962592.db2.gz UMAVGALBFLINCJ-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823838778 608012087 /nfs/dbraw/zinc/01/20/87/608012087.db2.gz UNLANBFUNYCNTQ-SFHVURJKSA-N -1 3 378.457 2.888 20 30 GFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823838778 608012088 /nfs/dbraw/zinc/01/20/88/608012088.db2.gz UNLANBFUNYCNTQ-SFHVURJKSA-N -1 3 378.457 2.888 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(CCCOc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386653 608071414 /nfs/dbraw/zinc/07/14/14/608071414.db2.gz NHDDVGOISBISFV-FQEVSTJZSA-N -1 3 390.447 2.581 20 30 GFEDHM N#CCc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826382751 608072878 /nfs/dbraw/zinc/07/28/78/608072878.db2.gz SPHJQNVEXYXQLS-GOSISDBHSA-N -1 3 389.419 2.538 20 30 GFEDHM N#CCc1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826382751 608072879 /nfs/dbraw/zinc/07/28/79/608072879.db2.gz SPHJQNVEXYXQLS-GOSISDBHSA-N -1 3 389.419 2.538 20 30 GFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000826277838 608073498 /nfs/dbraw/zinc/07/34/98/608073498.db2.gz JBFXYODHCDOGPQ-GOSISDBHSA-N -1 3 389.419 2.652 20 30 GFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000826277838 608073499 /nfs/dbraw/zinc/07/34/99/608073499.db2.gz JBFXYODHCDOGPQ-GOSISDBHSA-N -1 3 389.419 2.652 20 30 GFEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000824779139 608140660 /nfs/dbraw/zinc/14/06/60/608140660.db2.gz SYPCLNHPVSYBAF-HXUWFJFHSA-N -1 3 392.419 2.805 20 30 GFEDHM N#CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCCC1 ZINC000826379959 608163579 /nfs/dbraw/zinc/16/35/79/608163579.db2.gz IITJUCAXJIJJAS-UHFFFAOYSA-N -1 3 375.776 2.841 20 30 GFEDHM N#CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCCC1 ZINC000826379959 608163582 /nfs/dbraw/zinc/16/35/82/608163582.db2.gz IITJUCAXJIJJAS-UHFFFAOYSA-N -1 3 375.776 2.841 20 30 GFEDHM N#Cc1cc2c(nc1N1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)CCCC2 ZINC000826383984 608302646 /nfs/dbraw/zinc/30/26/46/608302646.db2.gz AOVQVGUTCNHQCM-IBGZPJMESA-N -1 3 387.447 2.590 20 30 GFEDHM N#Cc1cc2c(nc1N1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)CCCC2 ZINC000826383984 608302648 /nfs/dbraw/zinc/30/26/48/608302648.db2.gz AOVQVGUTCNHQCM-IBGZPJMESA-N -1 3 387.447 2.590 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823888811 608478429 /nfs/dbraw/zinc/47/84/29/608478429.db2.gz XGEPFZBVOUQQDK-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888811 608478431 /nfs/dbraw/zinc/47/84/31/608478431.db2.gz XGEPFZBVOUQQDK-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM N#CCOc1ccccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826381873 608485646 /nfs/dbraw/zinc/48/56/46/608485646.db2.gz CIOLAOHWBNOJTP-UHFFFAOYSA-N -1 3 386.415 2.699 20 30 GFEDHM N#CCOc1ccccc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826381873 608485648 /nfs/dbraw/zinc/48/56/48/608485648.db2.gz CIOLAOHWBNOJTP-UHFFFAOYSA-N -1 3 386.415 2.699 20 30 GFEDHM CC(C)(C)CC(=O)N1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000824079100 608535505 /nfs/dbraw/zinc/53/55/05/608535505.db2.gz MLLCHKZBZMYVNO-UHFFFAOYSA-N -1 3 390.879 2.742 20 30 GFEDHM CC(C)(C)CC(=O)N1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000824079100 608535507 /nfs/dbraw/zinc/53/55/07/608535507.db2.gz MLLCHKZBZMYVNO-UHFFFAOYSA-N -1 3 390.879 2.742 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H]1C ZINC000825499520 608538573 /nfs/dbraw/zinc/53/85/73/608538573.db2.gz NXSBEGWESOXZKJ-JOYOIKCWSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H]1C ZINC000825499520 608538575 /nfs/dbraw/zinc/53/85/75/608538575.db2.gz NXSBEGWESOXZKJ-JOYOIKCWSA-N -1 3 377.836 2.682 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823888632 608561785 /nfs/dbraw/zinc/56/17/85/608561785.db2.gz SCFXGRBUWJFOKH-CQSZACIVSA-N -1 3 395.488 2.932 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823888632 608561787 /nfs/dbraw/zinc/56/17/87/608561787.db2.gz SCFXGRBUWJFOKH-CQSZACIVSA-N -1 3 395.488 2.932 20 30 GFEDHM C=CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000823919452 608652931 /nfs/dbraw/zinc/65/29/31/608652931.db2.gz GCZHBXOGATXAPJ-UHFFFAOYSA-N -1 3 390.407 2.611 20 30 GFEDHM C=CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000823919452 608652932 /nfs/dbraw/zinc/65/29/32/608652932.db2.gz GCZHBXOGATXAPJ-UHFFFAOYSA-N -1 3 390.407 2.611 20 30 GFEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823926096 609156334 /nfs/dbraw/zinc/15/63/34/609156334.db2.gz ZMMDRMHZTNLIEH-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM C=CCOCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823926096 609156335 /nfs/dbraw/zinc/15/63/35/609156335.db2.gz ZMMDRMHZTNLIEH-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM Cc1cc(C(=O)N(CCC#N)CCC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257399 609161490 /nfs/dbraw/zinc/16/14/90/609161490.db2.gz AWOZOPKDGKWCBK-UHFFFAOYSA-N -1 3 392.467 2.763 20 30 GFEDHM Cc1cc(C(=O)N(CCC#N)CCC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257399 609161492 /nfs/dbraw/zinc/16/14/92/609161492.db2.gz AWOZOPKDGKWCBK-UHFFFAOYSA-N -1 3 392.467 2.763 20 30 GFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824034985 609225934 /nfs/dbraw/zinc/22/59/34/609225934.db2.gz RDSOTFNYVFSUNP-YVEFUNNKSA-N -1 3 394.460 2.791 20 30 GFEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824034985 609225935 /nfs/dbraw/zinc/22/59/35/609225935.db2.gz RDSOTFNYVFSUNP-YVEFUNNKSA-N -1 3 394.460 2.791 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400935 609271436 /nfs/dbraw/zinc/27/14/36/609271436.db2.gz LGASQBZVNLUGPL-QHHAFSJGSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400935 609271437 /nfs/dbraw/zinc/27/14/37/609271437.db2.gz LGASQBZVNLUGPL-QHHAFSJGSA-N -1 3 397.385 2.878 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OCC#N ZINC000826178605 609271640 /nfs/dbraw/zinc/27/16/40/609271640.db2.gz FAXYIKXOGCJQHG-KXFIGUGUSA-N -1 3 379.351 2.813 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OCC#N ZINC000826178605 609271642 /nfs/dbraw/zinc/27/16/42/609271642.db2.gz FAXYIKXOGCJQHG-KXFIGUGUSA-N -1 3 379.351 2.813 20 30 GFEDHM Cn1cc(CN=Nc2nncc3ccccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360461 609305181 /nfs/dbraw/zinc/30/51/81/609305181.db2.gz KYNPPVHEAZLMIJ-UHFFFAOYSA-N -1 3 396.418 2.656 20 30 GFEDHM Cn1cc(CN=Nc2nncc3ccccc32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360461 609305184 /nfs/dbraw/zinc/30/51/84/609305184.db2.gz KYNPPVHEAZLMIJ-UHFFFAOYSA-N -1 3 396.418 2.656 20 30 GFEDHM Cn1cc(C=C2COc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359948 609308646 /nfs/dbraw/zinc/30/86/46/609308646.db2.gz TYHXKUUBCHZFFM-YBEGLDIGSA-N -1 3 384.399 2.926 20 30 GFEDHM Cn1cc(C=C2COc3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359948 609308648 /nfs/dbraw/zinc/30/86/48/609308648.db2.gz TYHXKUUBCHZFFM-YBEGLDIGSA-N -1 3 384.399 2.926 20 30 GFEDHM C[C@@H](C#N)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824033767 609411005 /nfs/dbraw/zinc/41/10/05/609411005.db2.gz ANGNXMHXRLISKK-AWEZNQCLSA-N -1 3 393.426 2.877 20 30 GFEDHM C[C@@H](C#N)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824033767 609411006 /nfs/dbraw/zinc/41/10/06/609411006.db2.gz ANGNXMHXRLISKK-AWEZNQCLSA-N -1 3 393.426 2.877 20 30 GFEDHM N#CCC1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000826380582 609423731 /nfs/dbraw/zinc/42/37/31/609423731.db2.gz GDNLTYUMENXJLF-UHFFFAOYSA-N -1 3 389.419 2.820 20 30 GFEDHM N#CCC1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000826380582 609423732 /nfs/dbraw/zinc/42/37/32/609423732.db2.gz GDNLTYUMENXJLF-UHFFFAOYSA-N -1 3 389.419 2.820 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000824059500 609429696 /nfs/dbraw/zinc/42/96/96/609429696.db2.gz YOIOXODMWOOPNP-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000824059500 609429699 /nfs/dbraw/zinc/42/96/99/609429699.db2.gz YOIOXODMWOOPNP-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826272001 609433319 /nfs/dbraw/zinc/43/33/19/609433319.db2.gz QMTRVNNVGUEHQA-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826272001 609433322 /nfs/dbraw/zinc/43/33/22/609433322.db2.gz QMTRVNNVGUEHQA-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826382296 609528740 /nfs/dbraw/zinc/52/87/40/609528740.db2.gz XJINSNVOZVTCRE-UHFFFAOYSA-N -1 3 388.840 2.629 20 30 GFEDHM N#CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826382296 609528742 /nfs/dbraw/zinc/52/87/42/609528742.db2.gz XJINSNVOZVTCRE-UHFFFAOYSA-N -1 3 388.840 2.629 20 30 GFEDHM Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261290 609626956 /nfs/dbraw/zinc/62/69/56/609626956.db2.gz ZEZHCNUGGCDQKP-GOSISDBHSA-N -1 3 391.435 2.990 20 30 GFEDHM Cc1cc(C(=O)O[C@H](C#N)C2CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261290 609626958 /nfs/dbraw/zinc/62/69/58/609626958.db2.gz ZEZHCNUGGCDQKP-GOSISDBHSA-N -1 3 391.435 2.990 20 30 GFEDHM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000154499136 655076273 /nfs/dbraw/zinc/07/62/73/655076273.db2.gz MPQNONYFVRTBCS-UHFFFAOYSA-N -1 3 377.293 2.681 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000272480956 655114595 /nfs/dbraw/zinc/11/45/95/655114595.db2.gz QVHFATDLWAURQR-LBPRGKRZSA-N -1 3 379.251 2.813 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2SCC)ccc1F ZINC000178089801 655297534 /nfs/dbraw/zinc/29/75/34/655297534.db2.gz XUBDSDGZWQTEGZ-CABCVRRESA-N -1 3 386.514 2.694 20 30 GFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363854 655574917 /nfs/dbraw/zinc/57/49/17/655574917.db2.gz FTSJASDRTUCOLU-QFYYESIMSA-N -1 3 383.242 2.754 20 30 GFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000770871501 656333248 /nfs/dbraw/zinc/33/32/48/656333248.db2.gz MTXPKPAPQZHFIB-ZDUSSCGKSA-N -1 3 386.205 2.550 20 30 GFEDHM COc1ccc(C([O-])=C(C#N)c2ccccn2)nc1I ZINC000782582700 657160214 /nfs/dbraw/zinc/16/02/14/657160214.db2.gz YRJYLLAJSWKDFZ-SECBINFHSA-N -1 3 379.157 2.580 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCO1 ZINC000800933940 659353202 /nfs/dbraw/zinc/35/32/02/659353202.db2.gz RANYQAWXAUMZKE-NWDGAFQWSA-N -1 3 378.675 2.562 20 30 GFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cn2ccc(Br)cc2n1 ZINC000811639750 660013859 /nfs/dbraw/zinc/01/38/59/660013859.db2.gz HFMUCZMDHJOXRJ-UHFFFAOYSA-N -1 3 393.266 2.550 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CCOCC1 ZINC000851830073 661836225 /nfs/dbraw/zinc/83/62/25/661836225.db2.gz WRKQPTSRBOZZTB-ZDUSSCGKSA-N -1 3 392.702 2.809 20 30 GFEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(I)cc2)c1[O-] ZINC000852999103 661878381 /nfs/dbraw/zinc/87/83/81/661878381.db2.gz WAZSUVUTOIUIRC-NVMNQCDNSA-N -1 3 396.228 2.854 20 30 GFEDHM C=CCCO[N-]C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000856032488 662017189 /nfs/dbraw/zinc/01/71/89/662017189.db2.gz OXROKXKSMDLYLU-UHFFFAOYSA-N -1 3 376.272 2.627 20 30 GFEDHM O=C([N-]CCOC(F)(F)C(F)(F)F)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000874307150 662828267 /nfs/dbraw/zinc/82/82/67/662828267.db2.gz BPJZZBSKNUPXHL-UHFFFAOYSA-N -1 3 396.646 2.845 20 30 GFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 ZINC000881907311 663009203 /nfs/dbraw/zinc/00/92/03/663009203.db2.gz ANXCHYOGOVKOEP-UHFFFAOYSA-N -1 3 393.690 2.755 20 30 GFEDHM COc1cc(CN[C@H]2CCCN([O-])C2=O)cc(Br)c1OC(F)F ZINC000895164154 663501280 /nfs/dbraw/zinc/50/12/80/663501280.db2.gz DCWAVSRBIGAYEA-JTQLQIEISA-N -1 3 395.200 2.529 20 30 GFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc(CC(F)(F)F)s1 ZINC000901194473 663732198 /nfs/dbraw/zinc/73/21/98/663732198.db2.gz KDARQWJLOUFMRS-UHFFFAOYSA-N -1 3 377.413 2.744 20 30 GFEDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380338 663735005 /nfs/dbraw/zinc/73/50/05/663735005.db2.gz VHQYCQRYCYSIKI-ZDUSSCGKSA-N -1 3 381.281 2.525 20 30 GFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907298671 664020986 /nfs/dbraw/zinc/02/09/86/664020986.db2.gz OXKJOSSHYATHQO-UHFFFAOYSA-N -1 3 393.278 2.710 20 30 GFEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ccc(C#N)cn2)c1Cl ZINC000917880342 664491897 /nfs/dbraw/zinc/49/18/97/664491897.db2.gz XNXGRFITTUAZSM-UHFFFAOYSA-N -1 3 385.276 2.959 20 30 GFEDHM CCSc1nnc([N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)s1 ZINC000022559748 551117879 /nfs/dbraw/zinc/11/78/79/551117879.db2.gz BQSSPHIXKNFUQO-UHFFFAOYSA-N -1 3 377.411 2.775 20 30 GFEDHM C=CCN(Cc1cccs1)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000060677869 551183849 /nfs/dbraw/zinc/18/38/49/551183849.db2.gz UEDLFCAKLAUADE-UHFFFAOYSA-N -1 3 382.482 2.770 20 30 GFEDHM N#Cc1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1Cl ZINC000128759992 551351962 /nfs/dbraw/zinc/35/19/62/551351962.db2.gz LVVPMMNKOWJVNR-UHFFFAOYSA-N -1 3 377.278 2.712 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)cc1Cl ZINC000152509598 551434971 /nfs/dbraw/zinc/43/49/71/551434971.db2.gz LPKCHRJDXQEICE-UHFFFAOYSA-N -1 3 377.731 2.720 20 30 GFEDHM N#CCC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000153237072 551448823 /nfs/dbraw/zinc/44/88/23/551448823.db2.gz YLSZTZXVIXCFSS-OAHLLOKOSA-N -1 3 377.491 2.578 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000153778363 551460717 /nfs/dbraw/zinc/46/07/17/551460717.db2.gz ITMWJCHKAGUJQJ-UHFFFAOYSA-N -1 3 384.910 2.895 20 30 GFEDHM Cc1ccc(SCC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000156219230 551517497 /nfs/dbraw/zinc/51/74/97/551517497.db2.gz UIMFQSAPUQOQDA-UHFFFAOYSA-N -1 3 377.447 2.846 20 30 GFEDHM CCCNC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCCC1 ZINC000157056679 551532709 /nfs/dbraw/zinc/53/27/09/551532709.db2.gz PMHUAMFLDBOEMD-UHFFFAOYSA-N -1 3 383.901 2.719 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c(Cl)c1 ZINC000160857563 551586132 /nfs/dbraw/zinc/58/61/32/551586132.db2.gz HOPYGSSGTRNYLU-UHFFFAOYSA-N -1 3 395.231 2.642 20 30 GFEDHM N#CCCCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000179910666 552206882 /nfs/dbraw/zinc/20/68/82/552206882.db2.gz VVMKZRBZFAZRMZ-UHFFFAOYSA-N -1 3 395.200 2.556 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)c1 ZINC000184219626 552329903 /nfs/dbraw/zinc/32/99/03/552329903.db2.gz AAWQVTVWAVRSEK-UHFFFAOYSA-N -1 3 381.807 2.517 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)c1 ZINC000186245952 552382555 /nfs/dbraw/zinc/38/25/55/552382555.db2.gz ZVNDHXPDBYCDFK-UHFFFAOYSA-N -1 3 375.881 2.548 20 30 GFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N1CCc2sccc2C1 ZINC000186257838 552383331 /nfs/dbraw/zinc/38/33/31/552383331.db2.gz MQADXWDNQRJIIM-GFCCVEGCSA-N -1 3 395.937 2.998 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188552278 552448004 /nfs/dbraw/zinc/44/80/04/552448004.db2.gz MVGUWANWIJSFFJ-RISCZKNCSA-N -1 3 396.818 2.974 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1c1ccccc1 ZINC000245622289 553093898 /nfs/dbraw/zinc/09/38/98/553093898.db2.gz FMGUIMMXPWTCFJ-SJLPKXTDSA-N -1 3 375.881 2.935 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1c1ccccc1 ZINC000245622281 553094266 /nfs/dbraw/zinc/09/42/66/553094266.db2.gz FMGUIMMXPWTCFJ-FUHWJXTLSA-N -1 3 375.881 2.935 20 30 GFEDHM N#Cc1cc(Br)ccc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000301472209 563404488 /nfs/dbraw/zinc/40/44/88/563404488.db2.gz KQKSCPSGHAQXOM-UHFFFAOYSA-N -1 3 386.249 2.989 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329291831 563477531 /nfs/dbraw/zinc/47/75/31/563477531.db2.gz RANTWXNWQFOOMY-GDLCADMTSA-N -1 3 385.283 2.557 20 30 GFEDHM Cc1cnc(NC(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)s1 ZINC000329695100 563485411 /nfs/dbraw/zinc/48/54/11/563485411.db2.gz BGERRSWPMOBMNT-UHFFFAOYSA-N -1 3 384.483 2.936 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000333243924 563625366 /nfs/dbraw/zinc/62/53/66/563625366.db2.gz IYFRCJCWFVRRNI-HOCLYGCPSA-N -1 3 381.910 2.997 20 30 GFEDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC ZINC000435437422 563651008 /nfs/dbraw/zinc/65/10/08/563651008.db2.gz JVAHCFYNFQLLBI-UHFFFAOYSA-N -1 3 380.491 2.893 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000435439144 563651367 /nfs/dbraw/zinc/65/13/67/563651367.db2.gz RNYSZXQJDOTGDS-UHFFFAOYSA-N -1 3 380.466 2.786 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000435588080 563653448 /nfs/dbraw/zinc/65/34/48/563653448.db2.gz KCUKIJQJSFUGNQ-YGRLFVJLSA-N -1 3 378.263 2.848 20 30 GFEDHM COCc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cs1 ZINC000290036903 563696166 /nfs/dbraw/zinc/69/61/66/563696166.db2.gz CJHDTTXWZBISJF-UHFFFAOYSA-N -1 3 391.396 2.658 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414454516 563739328 /nfs/dbraw/zinc/73/93/28/563739328.db2.gz QZUZBMPCFFYZJW-LBPRGKRZSA-N -1 3 397.400 2.927 20 30 GFEDHM COc1ccc(OCCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000443010803 563787338 /nfs/dbraw/zinc/78/73/38/563787338.db2.gz CGNGHIVOPWAPJF-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCCCO2 ZINC000443068767 563790408 /nfs/dbraw/zinc/79/04/08/563790408.db2.gz IBXONAYDXSZUJU-UHFFFAOYSA-N -1 3 378.837 2.851 20 30 GFEDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416452403 563830587 /nfs/dbraw/zinc/83/05/87/563830587.db2.gz CKYIGTGZGSGFNH-NEPJUHHUSA-N -1 3 387.299 2.804 20 30 GFEDHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000509526051 564303481 /nfs/dbraw/zinc/30/34/81/564303481.db2.gz PUCFXQGBLJQUCK-LBPRGKRZSA-N -1 3 381.860 2.980 20 30 GFEDHM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000566873502 564346766 /nfs/dbraw/zinc/34/67/66/564346766.db2.gz KSMOETQLZIMFOU-SECBINFHSA-N -1 3 376.360 2.566 20 30 GFEDHM C=CCCC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511840508 564384128 /nfs/dbraw/zinc/38/41/28/564384128.db2.gz WAKNQHASPXKYGD-LBPRGKRZSA-N -1 3 391.896 2.801 20 30 GFEDHM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000520073780 564596668 /nfs/dbraw/zinc/59/66/68/564596668.db2.gz PMBDVUSTTTWUPG-QMMMGPOBSA-N -1 3 390.305 2.823 20 30 GFEDHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000549873395 564607817 /nfs/dbraw/zinc/60/78/17/564607817.db2.gz SDYZEQAXDKNPLO-OAHLLOKOSA-N -1 3 376.400 2.797 20 30 GFEDHM N#Cc1cccc(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000552645414 564697593 /nfs/dbraw/zinc/69/75/93/564697593.db2.gz GYTRSOUTKYCUIV-UHFFFAOYSA-N -1 3 398.271 2.573 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000580523324 564761949 /nfs/dbraw/zinc/76/19/49/564761949.db2.gz KWKUDHHCWAYLJU-HOCLYGCPSA-N -1 3 377.853 2.805 20 30 GFEDHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000555844048 564805880 /nfs/dbraw/zinc/80/58/80/564805880.db2.gz VHXAQOKKNLRREL-CJNGLKHVSA-N -1 3 395.893 2.523 20 30 GFEDHM C=CCN(CCC#N)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000557384232 564861986 /nfs/dbraw/zinc/86/19/86/564861986.db2.gz YUBIHPHZOVBWLH-UHFFFAOYSA-N -1 3 375.372 2.619 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000557795307 564876988 /nfs/dbraw/zinc/87/69/88/564876988.db2.gz JMUPVHNBESMFFO-MRXNPFEDSA-N -1 3 379.869 2.920 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCOc2c(Br)cccc21 ZINC000499738187 564935327 /nfs/dbraw/zinc/93/53/27/564935327.db2.gz JUGSHXPAGZTNND-LBPRGKRZSA-N -1 3 394.250 2.518 20 30 GFEDHM C=CC[C@@H](CC)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000467693763 564970221 /nfs/dbraw/zinc/97/02/21/564970221.db2.gz CMCLUJJXXFHGGU-VXGBXAGGSA-N -1 3 378.416 2.843 20 30 GFEDHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)s1 ZINC000560741476 564973933 /nfs/dbraw/zinc/97/39/33/564973933.db2.gz IGGHWWVFKVSCLE-CYBMUJFWSA-N -1 3 385.555 2.669 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)cc1Cl ZINC000470235968 565041692 /nfs/dbraw/zinc/04/16/92/565041692.db2.gz FCOZWEZOSAMBBT-UHFFFAOYSA-N -1 3 377.788 2.937 20 30 GFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N=c1[n-]n(C)cc1Br ZINC000640316073 565301690 /nfs/dbraw/zinc/30/16/90/565301690.db2.gz YTBFTTHBCNDPLS-UHFFFAOYSA-N -1 3 395.305 2.992 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000593571541 565342770 /nfs/dbraw/zinc/34/27/70/565342770.db2.gz UTQWTGWUUZKORU-CZUORRHYSA-N -1 3 381.910 2.997 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000594485125 565394437 /nfs/dbraw/zinc/39/44/37/565394437.db2.gz WVLGEAUDYOYFRO-GJZGRUSLSA-N -1 3 398.326 2.616 20 30 GFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@H]1OC ZINC000594767087 565418460 /nfs/dbraw/zinc/41/84/60/565418460.db2.gz BHCOHRSNZQYQCJ-IIAWOOMASA-N -1 3 380.491 2.552 20 30 GFEDHM COC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594771109 565418644 /nfs/dbraw/zinc/41/86/44/565418644.db2.gz AGDSSYUGBJIBPO-QWHCGFSZSA-N -1 3 378.475 2.701 20 30 GFEDHM C=CCCC(C)(C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000664510165 565466078 /nfs/dbraw/zinc/46/60/78/565466078.db2.gz CDJFQLSDCJDLNV-UHFFFAOYSA-N -1 3 379.935 2.724 20 30 GFEDHM C[C@H](C#N)N(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000598137215 565595418 /nfs/dbraw/zinc/59/54/18/565595418.db2.gz KGCWFKFQHCIPTD-SECBINFHSA-N -1 3 375.372 2.594 20 30 GFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000602168709 565827909 /nfs/dbraw/zinc/82/79/09/565827909.db2.gz BQQJNHYBLUZGRM-UHFFFAOYSA-N -1 3 389.253 2.719 20 30 GFEDHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[n-]1 ZINC000603042269 565882847 /nfs/dbraw/zinc/88/28/47/565882847.db2.gz DUHWYZXOLMYSMB-DZGCQCFKSA-N -1 3 388.269 2.908 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)nn1 ZINC000632635132 566052240 /nfs/dbraw/zinc/05/22/40/566052240.db2.gz IWROLGAGONPSLR-UHFFFAOYSA-N -1 3 381.310 2.842 20 30 GFEDHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1OC ZINC000611015497 566111014 /nfs/dbraw/zinc/11/10/14/566111014.db2.gz YZXPAMLJDACHIC-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C#N)CC(C)C)s1 ZINC000611278310 566124157 /nfs/dbraw/zinc/12/41/57/566124157.db2.gz POTBCOKRIDUVGH-AWEZNQCLSA-N -1 3 385.555 2.669 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000737677055 598826217 /nfs/dbraw/zinc/82/62/17/598826217.db2.gz YVBUPPGCGCLOGP-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000737677055 598826219 /nfs/dbraw/zinc/82/62/19/598826219.db2.gz YVBUPPGCGCLOGP-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737504096 598840846 /nfs/dbraw/zinc/84/08/46/598840846.db2.gz OAPFCIIWWIUMDN-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737504096 598840847 /nfs/dbraw/zinc/84/08/47/598840847.db2.gz OAPFCIIWWIUMDN-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM N#CCOc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737698029 598845467 /nfs/dbraw/zinc/84/54/67/598845467.db2.gz RRLBJFZBHRTONT-UHFFFAOYSA-N -1 3 381.417 2.605 20 30 GFEDHM N#CCOc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737698029 598845468 /nfs/dbraw/zinc/84/54/68/598845468.db2.gz RRLBJFZBHRTONT-UHFFFAOYSA-N -1 3 381.417 2.605 20 30 GFEDHM C=CCCCCCN(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735408543 598866227 /nfs/dbraw/zinc/86/62/27/598866227.db2.gz NSWCYWRHTGYMNW-UHFFFAOYSA-N -1 3 394.483 2.669 20 30 GFEDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736193996 598915279 /nfs/dbraw/zinc/91/52/79/598915279.db2.gz WJIATKOKNWHARX-SNVBAGLBSA-N -1 3 395.404 2.766 20 30 GFEDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736193996 598915281 /nfs/dbraw/zinc/91/52/81/598915281.db2.gz WJIATKOKNWHARX-SNVBAGLBSA-N -1 3 395.404 2.766 20 30 GFEDHM C/C=C/c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736303090 598917523 /nfs/dbraw/zinc/91/75/23/598917523.db2.gz HVOOZIJFSHKWBX-ONEGZZNKSA-N -1 3 390.403 2.798 20 30 GFEDHM C/C=C/c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736303090 598917525 /nfs/dbraw/zinc/91/75/25/598917525.db2.gz HVOOZIJFSHKWBX-ONEGZZNKSA-N -1 3 390.403 2.798 20 30 GFEDHM Clc1nc(N2CCCC2)sc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822591831 607252894 /nfs/dbraw/zinc/25/28/94/607252894.db2.gz XVIREXUYCYMVIX-UHFFFAOYSA-N -1 3 388.888 2.701 20 30 GFEDHM Clc1nc(N2CCCC2)sc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822591831 607252895 /nfs/dbraw/zinc/25/28/95/607252895.db2.gz XVIREXUYCYMVIX-UHFFFAOYSA-N -1 3 388.888 2.701 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(F)ccc2Br)cc1-c1nnn[n-]1 ZINC000737720245 598923709 /nfs/dbraw/zinc/92/37/09/598923709.db2.gz ZYBQOHACQLZTIW-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(F)ccc2Br)cc1-c1nn[n-]n1 ZINC000737720245 598923711 /nfs/dbraw/zinc/92/37/11/598923711.db2.gz ZYBQOHACQLZTIW-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC000737214796 598926787 /nfs/dbraw/zinc/92/67/87/598926787.db2.gz SDPATGSCWUCBSQ-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC000737214796 598926789 /nfs/dbraw/zinc/92/67/89/598926789.db2.gz SDPATGSCWUCBSQ-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1-c1nnn[n-]1 ZINC000737717808 598927671 /nfs/dbraw/zinc/92/76/71/598927671.db2.gz BDJLMUSFFCFKIP-UHFFFAOYSA-N -1 3 388.435 2.766 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1-c1nn[n-]n1 ZINC000737717808 598927672 /nfs/dbraw/zinc/92/76/72/598927672.db2.gz BDJLMUSFFCFKIP-UHFFFAOYSA-N -1 3 388.435 2.766 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507558 598970822 /nfs/dbraw/zinc/97/08/22/598970822.db2.gz FOOBGKJMGWXMNG-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507558 598970825 /nfs/dbraw/zinc/97/08/25/598970825.db2.gz FOOBGKJMGWXMNG-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2ccc(C)cc2C)cc1-c1nnn[n-]1 ZINC000737081554 599126281 /nfs/dbraw/zinc/12/62/81/599126281.db2.gz OYRUVMNOKDVLOZ-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2ccc(C)cc2C)cc1-c1nn[n-]n1 ZINC000737081554 599126282 /nfs/dbraw/zinc/12/62/82/599126282.db2.gz OYRUVMNOKDVLOZ-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736330821 599151809 /nfs/dbraw/zinc/15/18/09/599151809.db2.gz ZMZFDYFCUFZOGV-MLGOLLRUSA-N -1 3 389.419 2.736 20 30 GFEDHM C=CCNc1nnc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)s1 ZINC000735432001 599156521 /nfs/dbraw/zinc/15/65/21/599156521.db2.gz LMFPLHIXUPVQQI-UHFFFAOYSA-N -1 3 399.465 2.658 20 30 GFEDHM C=CCNc1nnc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)s1 ZINC000735432001 599156524 /nfs/dbraw/zinc/15/65/24/599156524.db2.gz LMFPLHIXUPVQQI-UHFFFAOYSA-N -1 3 399.465 2.658 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Br)cs2)ccc1-c1nnn[n-]1 ZINC000737708071 599192293 /nfs/dbraw/zinc/19/22/93/599192293.db2.gz CUDXJDHYPDCERZ-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(Br)cs2)ccc1-c1nn[n-]n1 ZINC000737708071 599192295 /nfs/dbraw/zinc/19/22/95/599192295.db2.gz CUDXJDHYPDCERZ-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735450892 598276281 /nfs/dbraw/zinc/27/62/81/598276281.db2.gz IVISIPQQNPLQSC-UHFFFAOYSA-N -1 3 380.481 2.643 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735450892 598276283 /nfs/dbraw/zinc/27/62/83/598276283.db2.gz IVISIPQQNPLQSC-UHFFFAOYSA-N -1 3 380.481 2.643 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380928 598417040 /nfs/dbraw/zinc/41/70/40/598417040.db2.gz ONCXMFZIQXJBHU-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380928 598417041 /nfs/dbraw/zinc/41/70/41/598417041.db2.gz ONCXMFZIQXJBHU-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736167707 598489949 /nfs/dbraw/zinc/48/99/49/598489949.db2.gz HCKYTCFYHMZHHQ-GFCCVEGCSA-N -1 3 379.424 2.701 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735647769 598535560 /nfs/dbraw/zinc/53/55/60/598535560.db2.gz BRZPHSKALGCALO-GOSISDBHSA-N -1 3 390.447 2.924 20 30 GFEDHM N#Cc1nc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1Cl ZINC000737728236 598575581 /nfs/dbraw/zinc/57/55/81/598575581.db2.gz JZDQUOGVGNIVEG-UHFFFAOYSA-N -1 3 380.843 2.503 20 30 GFEDHM N#Cc1nc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1Cl ZINC000737728236 598575583 /nfs/dbraw/zinc/57/55/83/598575583.db2.gz JZDQUOGVGNIVEG-UHFFFAOYSA-N -1 3 380.843 2.503 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000736731341 598655322 /nfs/dbraw/zinc/65/53/22/598655322.db2.gz AGJFXQFRKFUTJF-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000736731341 598655323 /nfs/dbraw/zinc/65/53/23/598655323.db2.gz AGJFXQFRKFUTJF-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)N(C)CCC#N ZINC000736137703 598786754 /nfs/dbraw/zinc/78/67/54/598786754.db2.gz LWAQOPYWZSELHY-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)N(C)CCC#N ZINC000736137703 598786756 /nfs/dbraw/zinc/78/67/56/598786756.db2.gz LWAQOPYWZSELHY-CQSZACIVSA-N -1 3 391.435 2.831 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3ccc(Cl)cc3-c3nnn[n-]3)CC2)nc1 ZINC000737717749 598797042 /nfs/dbraw/zinc/79/70/42/598797042.db2.gz IQQZQQVQQFMROZ-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3ccc(Cl)cc3-c3nn[n-]n3)CC2)nc1 ZINC000737717749 598797044 /nfs/dbraw/zinc/79/70/44/598797044.db2.gz IQQZQQVQQFMROZ-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C)c1ccc(C#N)cc1 ZINC000737033106 599305517 /nfs/dbraw/zinc/30/55/17/599305517.db2.gz OGTFLWWGFJMLAQ-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C)c1ccc(C#N)cc1 ZINC000737033106 599305520 /nfs/dbraw/zinc/30/55/20/599305520.db2.gz OGTFLWWGFJMLAQ-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3cc(Cl)ccc3-c3nnn[n-]3)CC2)nc1 ZINC000737718781 599428064 /nfs/dbraw/zinc/42/80/64/599428064.db2.gz PEDNOFPVWMKTGP-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3cc(Cl)ccc3-c3nn[n-]n3)CC2)nc1 ZINC000737718781 599428067 /nfs/dbraw/zinc/42/80/67/599428067.db2.gz PEDNOFPVWMKTGP-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c(Cl)nc2ccccn21 ZINC000737809306 599538468 /nfs/dbraw/zinc/53/84/68/599538468.db2.gz VDTCNKBGLWFZTI-AATRIKPKSA-N -1 3 390.794 2.712 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c(Cl)nc2ccccn21 ZINC000737809306 599538469 /nfs/dbraw/zinc/53/84/69/599538469.db2.gz VDTCNKBGLWFZTI-AATRIKPKSA-N -1 3 390.794 2.712 20 30 GFEDHM N#Cc1cccc(-c2nnc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)o2)c1 ZINC000822836939 599568398 /nfs/dbraw/zinc/56/83/98/599568398.db2.gz BEWPVEPPVJQHKQ-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM N#Cc1cccc(-c2nnc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)o2)c1 ZINC000822836939 599568400 /nfs/dbraw/zinc/56/84/00/599568400.db2.gz BEWPVEPPVJQHKQ-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000819733761 607438619 /nfs/dbraw/zinc/43/86/19/607438619.db2.gz BEPFEZKFAMARIR-INIZCTEOSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000819733761 607438621 /nfs/dbraw/zinc/43/86/21/607438621.db2.gz BEPFEZKFAMARIR-INIZCTEOSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cnc(C)s1 ZINC000819746033 607443713 /nfs/dbraw/zinc/44/37/13/607443713.db2.gz YMIVISSGYXWZSX-UHFFFAOYSA-N -1 3 383.481 2.572 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1cnc(C)s1 ZINC000819746033 607443714 /nfs/dbraw/zinc/44/37/14/607443714.db2.gz YMIVISSGYXWZSX-UHFFFAOYSA-N -1 3 383.481 2.572 20 30 GFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000833072363 601326195 /nfs/dbraw/zinc/32/61/95/601326195.db2.gz SDVJLRUOXUKMOF-QFIPXVFZSA-N -1 3 391.471 2.851 20 30 GFEDHM COc1ccc(CN=Cc2cc(Br)ccc2O)cc1-c1nnn[n-]1 ZINC000826196304 607527503 /nfs/dbraw/zinc/52/75/03/607527503.db2.gz XMEOGBDTWUCGGY-GIJQJNRQSA-N -1 3 388.225 2.963 20 30 GFEDHM COc1ccc(CN=Cc2cc(Br)ccc2O)cc1-c1nn[n-]n1 ZINC000826196304 607527504 /nfs/dbraw/zinc/52/75/04/607527504.db2.gz XMEOGBDTWUCGGY-GIJQJNRQSA-N -1 3 388.225 2.963 20 30 GFEDHM COc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C#N ZINC000826202213 607529856 /nfs/dbraw/zinc/52/98/56/607529856.db2.gz RVEMDTHIKZPDBY-UHFFFAOYSA-N -1 3 399.867 2.887 20 30 GFEDHM COc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C#N ZINC000826202213 607529857 /nfs/dbraw/zinc/52/98/57/607529857.db2.gz RVEMDTHIKZPDBY-UHFFFAOYSA-N -1 3 399.867 2.887 20 30 GFEDHM N#Cc1cnc2ccccc2c1N1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000740322289 602703992 /nfs/dbraw/zinc/70/39/92/602703992.db2.gz UWJCEWYRCPSFJM-INIZCTEOSA-N -1 3 379.464 2.618 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825390212 607590428 /nfs/dbraw/zinc/59/04/28/607590428.db2.gz AXWRCUGNSHRPBQ-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825390212 607590430 /nfs/dbraw/zinc/59/04/30/607590430.db2.gz AXWRCUGNSHRPBQ-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1CNC(=O)[O-] ZINC000825919579 603716887 /nfs/dbraw/zinc/71/68/87/603716887.db2.gz PBFHFYMQAABLDG-NFAWXSAZSA-N -1 3 386.477 2.841 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1ccccc1Br ZINC000826245517 607689427 /nfs/dbraw/zinc/68/94/27/607689427.db2.gz AIXQJBBBLRCBCK-OAHLLOKOSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1ccccc1Br ZINC000826245517 607689429 /nfs/dbraw/zinc/68/94/29/607689429.db2.gz AIXQJBBBLRCBCK-OAHLLOKOSA-N -1 3 397.236 2.932 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H](N3CCC4(C3)CCN(C(=O)[O-])CC4)C2=O)cc1 ZINC000833973342 605555004 /nfs/dbraw/zinc/55/50/04/605555004.db2.gz KBCYOZGJIPFDTN-GOSISDBHSA-N -1 3 382.464 2.520 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN(C(=O)[O-])c1ccccc1 ZINC000828030746 605645369 /nfs/dbraw/zinc/64/53/69/605645369.db2.gz JXWUJWJIFJQBNS-UHFFFAOYSA-N -1 3 380.448 2.633 20 30 GFEDHM C=CCCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000819733946 606236342 /nfs/dbraw/zinc/23/63/42/606236342.db2.gz FWKWZTVEHSJYSF-JTQLQIEISA-N -1 3 375.454 2.643 20 30 GFEDHM C=CCCCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000819733946 606236344 /nfs/dbraw/zinc/23/63/44/606236344.db2.gz FWKWZTVEHSJYSF-JTQLQIEISA-N -1 3 375.454 2.643 20 30 GFEDHM COC(=O)c1cc2c(o1)c(OC)ccc2C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000821668978 606370325 /nfs/dbraw/zinc/37/03/25/606370325.db2.gz SSCYWNBBTPSHPX-UHFFFAOYSA-N -1 3 392.375 2.854 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820548678 606434643 /nfs/dbraw/zinc/43/46/43/606434643.db2.gz FAZFRZWRSURMJQ-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820548678 606434645 /nfs/dbraw/zinc/43/46/45/606434645.db2.gz FAZFRZWRSURMJQ-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000822800888 606543121 /nfs/dbraw/zinc/54/31/21/606543121.db2.gz AFUPZDYFMNRDGV-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000822800888 606543123 /nfs/dbraw/zinc/54/31/23/606543123.db2.gz AFUPZDYFMNRDGV-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822801145 606572278 /nfs/dbraw/zinc/57/22/78/606572278.db2.gz FFGAYUYPWJJGIH-LLVKDONJSA-N -1 3 378.339 2.942 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822801145 606572279 /nfs/dbraw/zinc/57/22/79/606572279.db2.gz FFGAYUYPWJJGIH-LLVKDONJSA-N -1 3 378.339 2.942 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000819744082 606602501 /nfs/dbraw/zinc/60/25/01/606602501.db2.gz VQJQBMSNYORZCD-HNNXBMFYSA-N -1 3 377.452 2.591 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000819744082 606602502 /nfs/dbraw/zinc/60/25/02/606602502.db2.gz VQJQBMSNYORZCD-HNNXBMFYSA-N -1 3 377.452 2.591 20 30 GFEDHM N#CCCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000822806500 606660031 /nfs/dbraw/zinc/66/00/31/606660031.db2.gz OWYZOXMTISTQBT-UHFFFAOYSA-N -1 3 381.827 2.879 20 30 GFEDHM N#CCCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000822806500 606660032 /nfs/dbraw/zinc/66/00/32/606660032.db2.gz OWYZOXMTISTQBT-UHFFFAOYSA-N -1 3 381.827 2.879 20 30 GFEDHM N#Cc1cc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)ccc1F ZINC000822819355 606971427 /nfs/dbraw/zinc/97/14/27/606971427.db2.gz RBOKOIWIGOOHHI-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820005499 607089339 /nfs/dbraw/zinc/08/93/39/607089339.db2.gz SGVOJWHRSNEAEK-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM Fc1ccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822778998 607145620 /nfs/dbraw/zinc/14/56/20/607145620.db2.gz QWLCHYVHABKURQ-UHFFFAOYSA-N -1 3 380.412 2.808 20 30 GFEDHM Fc1ccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822778998 607145621 /nfs/dbraw/zinc/14/56/21/607145621.db2.gz QWLCHYVHABKURQ-UHFFFAOYSA-N -1 3 380.412 2.808 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821755423 607238222 /nfs/dbraw/zinc/23/82/22/607238222.db2.gz GGNUVTQVICXNBZ-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821755423 607238223 /nfs/dbraw/zinc/23/82/23/607238223.db2.gz GGNUVTQVICXNBZ-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM S=C(NCCc1ccc(Cl)cc1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826512097 607884029 /nfs/dbraw/zinc/88/40/29/607884029.db2.gz OLIZQEVUBMAZMJ-UHFFFAOYSA-N -1 3 385.884 2.561 20 30 GFEDHM S=C(NCCc1ccc(Cl)cc1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826512097 607884030 /nfs/dbraw/zinc/88/40/30/607884030.db2.gz OLIZQEVUBMAZMJ-UHFFFAOYSA-N -1 3 385.884 2.561 20 30 GFEDHM C=CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000823932171 608082934 /nfs/dbraw/zinc/08/29/34/608082934.db2.gz RFSZFDDFVNWEQD-LJQANCHMSA-N -1 3 391.431 2.645 20 30 GFEDHM C=CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823932171 608082935 /nfs/dbraw/zinc/08/29/35/608082935.db2.gz RFSZFDDFVNWEQD-LJQANCHMSA-N -1 3 391.431 2.645 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCO2)c1 ZINC000826386494 608235117 /nfs/dbraw/zinc/23/51/17/608235117.db2.gz HQUQOPFJKVYHRQ-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCO2)c1 ZINC000826386494 608235119 /nfs/dbraw/zinc/23/51/19/608235119.db2.gz HQUQOPFJKVYHRQ-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM COc1cc(C#N)ccc1COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826176950 608351847 /nfs/dbraw/zinc/35/18/47/608351847.db2.gz LFUHSHNCACXPMF-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM COc1cc(C#N)ccc1COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826176950 608351849 /nfs/dbraw/zinc/35/18/49/608351849.db2.gz LFUHSHNCACXPMF-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)nn1 ZINC000826385844 608412389 /nfs/dbraw/zinc/41/23/89/608412389.db2.gz DSBRWYDPNKSCTE-UHFFFAOYSA-N -1 3 388.366 2.990 20 30 GFEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)c(F)c2)nn1 ZINC000826385844 608412390 /nfs/dbraw/zinc/41/23/90/608412390.db2.gz DSBRWYDPNKSCTE-UHFFFAOYSA-N -1 3 388.366 2.990 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888698 608478836 /nfs/dbraw/zinc/47/88/36/608478836.db2.gz UHNOBFDKJDITPB-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888698 608478838 /nfs/dbraw/zinc/47/88/38/608478838.db2.gz UHNOBFDKJDITPB-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM N#Cc1cccc(C2(NCc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CC2)c1 ZINC000826386877 608529900 /nfs/dbraw/zinc/52/99/00/608529900.db2.gz WKNHZDMMUCFVDD-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM N#Cc1cccc(C2(NCc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CC2)c1 ZINC000826386877 608529901 /nfs/dbraw/zinc/52/99/01/608529901.db2.gz WKNHZDMMUCFVDD-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM COc1cc2c(c(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c1)O[C@H](C)C2 ZINC000826178985 608534231 /nfs/dbraw/zinc/53/42/31/608534231.db2.gz TWBJUPGUKQRIML-SECBINFHSA-N -1 3 385.815 2.693 20 30 GFEDHM COc1cc2c(c(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c1)O[C@H](C)C2 ZINC000826178985 608534233 /nfs/dbraw/zinc/53/42/33/608534233.db2.gz TWBJUPGUKQRIML-SECBINFHSA-N -1 3 385.815 2.693 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C1CC1 ZINC000824284127 608666841 /nfs/dbraw/zinc/66/68/41/608666841.db2.gz BVRNEZRNDCHHRD-UHFFFAOYSA-N -1 3 376.424 2.721 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C1CC1 ZINC000824284127 608666842 /nfs/dbraw/zinc/66/68/42/608666842.db2.gz BVRNEZRNDCHHRD-UHFFFAOYSA-N -1 3 376.424 2.721 20 30 GFEDHM CC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212940 608857305 /nfs/dbraw/zinc/85/73/05/608857305.db2.gz VADHXQKPTCPUJS-HUUCEWRRSA-N -1 3 395.467 2.799 20 30 GFEDHM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825820913 608882043 /nfs/dbraw/zinc/88/20/43/608882043.db2.gz YBYCUDDUUWOWPE-UHFFFAOYSA-N -1 3 394.867 2.958 20 30 GFEDHM CN(C(=O)OC(C)(C)C)C(C)(C)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825820913 608882044 /nfs/dbraw/zinc/88/20/44/608882044.db2.gz YBYCUDDUUWOWPE-UHFFFAOYSA-N -1 3 394.867 2.958 20 30 GFEDHM CC(N=Nc1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958139 609158852 /nfs/dbraw/zinc/15/88/52/609158852.db2.gz DVHKMCQRHOXPKV-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824654883 609239714 /nfs/dbraw/zinc/23/97/14/609239714.db2.gz ADFBTCYIEBVFCT-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824654883 609239716 /nfs/dbraw/zinc/23/97/16/609239716.db2.gz ADFBTCYIEBVFCT-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000824757448 609243342 /nfs/dbraw/zinc/24/33/42/609243342.db2.gz XEFMXAFUTMAHRT-CQSZACIVSA-N -1 3 389.415 2.933 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000824757448 609243343 /nfs/dbraw/zinc/24/33/43/609243343.db2.gz XEFMXAFUTMAHRT-CQSZACIVSA-N -1 3 389.415 2.933 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccn(-c2cccc(F)c2C#N)n1 ZINC000826184210 609278910 /nfs/dbraw/zinc/27/89/10/609278910.db2.gz OKEHTYQPFPYRIN-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM Cn1cc(CN=Nc2ncccc2Cl)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360515 609304994 /nfs/dbraw/zinc/30/49/94/609304994.db2.gz NEEILDWHJLMYAK-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM Cn1cc(CN=Nc2ncccc2Cl)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360515 609304996 /nfs/dbraw/zinc/30/49/96/609304996.db2.gz NEEILDWHJLMYAK-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM CC(C)n1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000824371527 609309109 /nfs/dbraw/zinc/30/91/09/609309109.db2.gz IXPWDMWYYQTVDD-CMDGGOBGSA-N -1 3 388.435 2.941 20 30 GFEDHM CC(C)n1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000824371527 609309111 /nfs/dbraw/zinc/30/91/11/609309111.db2.gz IXPWDMWYYQTVDD-CMDGGOBGSA-N -1 3 388.435 2.941 20 30 GFEDHM CCN(C(C)=O)c1nc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000825390642 609475982 /nfs/dbraw/zinc/47/59/82/609475982.db2.gz ITYOCEMVCVKIBN-UHFFFAOYSA-N -1 3 390.860 2.795 20 30 GFEDHM CCN(C(C)=O)c1nc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000825390642 609475985 /nfs/dbraw/zinc/47/59/85/609475985.db2.gz ITYOCEMVCVKIBN-UHFFFAOYSA-N -1 3 390.860 2.795 20 30 GFEDHM C[C@H]1C[C@@H](NN=Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824892245 609518862 /nfs/dbraw/zinc/51/88/62/609518862.db2.gz FUPNMMAWLDXFBJ-KXBFYZLASA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@H]1C[C@@H](NN=Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000824892245 609518865 /nfs/dbraw/zinc/51/88/65/609518865.db2.gz FUPNMMAWLDXFBJ-KXBFYZLASA-N -1 3 392.463 2.937 20 30 GFEDHM COc1cccc(N=NC(C)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000826216674 609522326 /nfs/dbraw/zinc/52/23/26/609522326.db2.gz JMPCWILFQWSVAR-UHFFFAOYSA-N -1 3 389.423 2.601 20 30 GFEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826385269 609558904 /nfs/dbraw/zinc/55/89/04/609558904.db2.gz FAGOBAVFOIGRLL-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826385269 609558906 /nfs/dbraw/zinc/55/89/06/609558906.db2.gz FAGOBAVFOIGRLL-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261291 609627095 /nfs/dbraw/zinc/62/70/95/609627095.db2.gz ZEZHCNUGGCDQKP-SFHVURJKSA-N -1 3 391.435 2.990 20 30 GFEDHM Cc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261291 609627096 /nfs/dbraw/zinc/62/70/96/609627096.db2.gz ZEZHCNUGGCDQKP-SFHVURJKSA-N -1 3 391.435 2.990 20 30 GFEDHM N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822832964 660355442 /nfs/dbraw/zinc/35/54/42/660355442.db2.gz KOQAEIYRLYFABL-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822832964 660355445 /nfs/dbraw/zinc/35/54/45/660355445.db2.gz KOQAEIYRLYFABL-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000025508322 654550740 /nfs/dbraw/zinc/55/07/40/654550740.db2.gz MBEWNFCUGJNWOZ-SECBINFHSA-N -1 3 381.458 2.913 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Br)s1 ZINC000045456694 654668563 /nfs/dbraw/zinc/66/85/63/654668563.db2.gz PYYDVQYYEPCZGT-UHFFFAOYSA-N -1 3 394.294 2.936 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 ZINC000122331841 654734184 /nfs/dbraw/zinc/73/41/84/654734184.db2.gz PERKORWWGLAWJH-AWEZNQCLSA-N -1 3 375.475 2.654 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)o1 ZINC000066856167 654918351 /nfs/dbraw/zinc/91/83/51/654918351.db2.gz JRIYNVPWNMLZKC-NSHDSACASA-N -1 3 379.463 2.834 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000726940233 655540060 /nfs/dbraw/zinc/54/00/60/655540060.db2.gz OPDDGJLOZOZJGL-UHFFFAOYSA-N -1 3 397.909 2.935 20 30 GFEDHM N#CC1(NC(=O)COC(=O)c2cccc(Br)c2[O-])CCCCC1 ZINC000730363831 655574887 /nfs/dbraw/zinc/57/48/87/655574887.db2.gz FAYSGXQUGCFTAZ-UHFFFAOYSA-N -1 3 381.226 2.654 20 30 GFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1sc(N2CCCC2)nc1Cl ZINC000743448200 655729221 /nfs/dbraw/zinc/72/92/21/655729221.db2.gz DEMIIBKAPNLURE-UHFFFAOYSA-N -1 3 398.941 2.893 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747252762 655775215 /nfs/dbraw/zinc/77/52/15/655775215.db2.gz GYTCQAFFTALBNF-UHFFFAOYSA-N -1 3 384.306 2.978 20 30 GFEDHM C=CCc1ccccc1OS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771161720 656341733 /nfs/dbraw/zinc/34/17/33/656341733.db2.gz CFIGESJINKYQKX-UHFFFAOYSA-N -1 3 385.438 2.693 20 30 GFEDHM C=CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000790452612 657984041 /nfs/dbraw/zinc/98/40/41/657984041.db2.gz SCNDKYMTPWRSMG-UHFFFAOYSA-N -1 3 380.235 2.619 20 30 GFEDHM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000794676901 658596212 /nfs/dbraw/zinc/59/62/12/658596212.db2.gz REDSVRKNBRVWPY-IBMLWKIOSA-N -1 3 389.315 2.682 20 30 GFEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000796096753 658890451 /nfs/dbraw/zinc/89/04/51/658890451.db2.gz GTILCNGPDWSPMD-OAHLLOKOSA-N -1 3 379.279 2.757 20 30 GFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@H](C#N)CC(C)C)c1 ZINC000800041745 659261803 /nfs/dbraw/zinc/26/18/03/659261803.db2.gz OTLBFXQWKXFUQT-LBPRGKRZSA-N -1 3 375.288 2.815 20 30 GFEDHM CCc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1Cl ZINC000803563926 659589579 /nfs/dbraw/zinc/58/95/79/659589579.db2.gz TYAISASMSHMKLD-UHFFFAOYSA-N -1 3 377.853 2.580 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000805148535 659751248 /nfs/dbraw/zinc/75/12/48/659751248.db2.gz FAVGHFSANAMSGJ-GFCCVEGCSA-N -1 3 375.244 2.684 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809815668 659941336 /nfs/dbraw/zinc/94/13/36/659941336.db2.gz NNYNFCMDKJJSKU-UHFFFAOYSA-N -1 3 394.280 2.830 20 30 GFEDHM C#CCONC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc1Cl ZINC000812781136 660034454 /nfs/dbraw/zinc/03/44/54/660034454.db2.gz GWILBCJKXFIRMH-SNVBAGLBSA-N -1 3 393.292 2.755 20 30 GFEDHM CC(N=Nc1nccc(N2CCOCC2)n1)c1ccc([O-])c(Br)c1 ZINC000844587375 661429088 /nfs/dbraw/zinc/42/90/88/661429088.db2.gz MSXPQBCDXOUDFY-UHFFFAOYSA-N -1 3 392.257 2.617 20 30 GFEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846546872 661555983 /nfs/dbraw/zinc/55/59/83/661555983.db2.gz ZOCUOGPTSRXJEE-RNCFNFMXSA-N -1 3 386.235 2.821 20 30 GFEDHM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848133693 661626501 /nfs/dbraw/zinc/62/65/01/661626501.db2.gz FGWCOLWREVCCCZ-CYBMUJFWSA-N -1 3 375.252 2.895 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CCOCC1 ZINC000851827268 661835787 /nfs/dbraw/zinc/83/57/87/661835787.db2.gz IFAWQDOSHINEGZ-LBPRGKRZSA-N -1 3 392.702 2.809 20 30 GFEDHM C=C(Cl)CSc1nc(C)c(CC(=O)NCCCc2cc(=O)[nH][n-]2)s1 ZINC000854486955 661936687 /nfs/dbraw/zinc/93/66/87/661936687.db2.gz DYXVWRBQEKYXRA-UHFFFAOYSA-N -1 3 386.930 2.611 20 30 GFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000859426151 662162051 /nfs/dbraw/zinc/16/20/51/662162051.db2.gz OCPHWIANGHSFIW-NSHDSACASA-N -1 3 380.691 2.809 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)nn1 ZINC000867595693 662561529 /nfs/dbraw/zinc/56/15/29/662561529.db2.gz DDMBEYYVOZFNQN-UHFFFAOYSA-N -1 3 382.873 2.579 20 30 GFEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c1 ZINC000899095258 663675195 /nfs/dbraw/zinc/67/51/95/663675195.db2.gz APJRHJHEBTYJMW-UHFFFAOYSA-N -1 3 376.228 2.913 20 30 GFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(Br)cnn1C1CC1 ZINC000903673606 663801731 /nfs/dbraw/zinc/80/17/31/663801731.db2.gz ZPTYLEBQAUZWFM-UHFFFAOYSA-N -1 3 397.254 2.662 20 30 GFEDHM O=C(Nc1ccc(Br)cc1OC(F)F)N[C@H]1CCCN([O-])C1=O ZINC000934739523 664916433 /nfs/dbraw/zinc/91/64/33/664916433.db2.gz AEETUTCLYQZONX-VIFPVBQESA-N -1 3 394.172 2.552 20 30 GFEDHM COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000018204572 221390406 /nfs/dbraw/zinc/39/04/06/221390406.db2.gz IFGBVDJQWGRIHV-CQSZACIVSA-N -1 3 383.448 2.691 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Br)cn1 ZINC000112208083 551204936 /nfs/dbraw/zinc/20/49/36/551204936.db2.gz FILDSXVZFOZSOV-UHFFFAOYSA-N -1 3 390.237 2.697 20 30 GFEDHM N#Cc1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)ccc1OCC(F)(F)F ZINC000150844102 551402663 /nfs/dbraw/zinc/40/26/63/551402663.db2.gz GJZZLBSUXPJYOL-CYBMUJFWSA-N -1 3 378.372 2.810 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000156640874 551526779 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N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2C(F)(F)F)s1 ZINC000435439718 563650972 /nfs/dbraw/zinc/65/09/72/563650972.db2.gz WQTPLTYQIASLNY-UHFFFAOYSA-N -1 3 376.381 2.996 20 30 GFEDHM CN(CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccc(F)cc1 ZINC000443344458 563802230 /nfs/dbraw/zinc/80/22/30/563802230.db2.gz REWITIZBRQTQIT-UHFFFAOYSA-N -1 3 381.860 2.761 20 30 GFEDHM CN1C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000444276208 563826330 /nfs/dbraw/zinc/82/63/30/563826330.db2.gz GVDYLHDPUJTNSI-CQSZACIVSA-N -1 3 375.881 2.799 20 30 GFEDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000416607063 563852535 /nfs/dbraw/zinc/85/25/35/563852535.db2.gz YIMWTTXYOPDVOS-ZUZCIYMTSA-N -1 3 387.299 2.803 20 30 GFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(CCn2cc(Br)cn2)cc1 ZINC000416941572 563863578 /nfs/dbraw/zinc/86/35/78/563863578.db2.gz AGBGHELDVHIAMB-OAHLLOKOSA-N -1 3 397.298 2.932 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)[C@@H](O)C(F)(F)F ZINC000447868800 563889001 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N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1Cl ZINC000567071473 564356314 /nfs/dbraw/zinc/35/63/14/564356314.db2.gz FSHHCBOEUJJBBI-NSHDSACASA-N -1 3 385.272 2.919 20 30 GFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000452023635 564383752 /nfs/dbraw/zinc/38/37/52/564383752.db2.gz OHMJJSPCYKWXQY-SECBINFHSA-N -1 3 398.706 2.717 20 30 GFEDHM COC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F ZINC000479149383 564427610 /nfs/dbraw/zinc/42/76/10/564427610.db2.gz HHMCAVKIBFKLEJ-NSHDSACASA-N -1 3 390.305 2.823 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000514911815 564462091 /nfs/dbraw/zinc/46/20/91/564462091.db2.gz FLCSSUIWPRGXRX-ZBFHGGJFSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2Br)c(F)c1 ZINC000569681752 564473998 /nfs/dbraw/zinc/47/39/98/564473998.db2.gz TXRCADFDXKLCFY-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM C[C@](CO)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000480864623 564492601 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N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000551554172 564654614 /nfs/dbraw/zinc/65/46/14/564654614.db2.gz FQURTEAHLMLDMB-UHFFFAOYSA-N -1 3 397.225 2.621 20 30 GFEDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000553885226 564743421 /nfs/dbraw/zinc/74/34/21/564743421.db2.gz AVSQWJOELSWYLE-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM N#CCc1ccc(OC[C@@H](O)CNCc2ccc([O-])c(Br)c2)cc1 ZINC000579465171 564747907 /nfs/dbraw/zinc/74/79/07/564747907.db2.gz NJCJIZYEJGCQJD-HNNXBMFYSA-N -1 3 391.265 2.750 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000580523325 564762396 /nfs/dbraw/zinc/76/23/96/564762396.db2.gz KWKUDHHCWAYLJU-ZBFHGGJFSA-N -1 3 377.853 2.805 20 30 GFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000581256156 564795512 /nfs/dbraw/zinc/79/55/12/564795512.db2.gz NYRBNSQSFOAZET-UHFFFAOYSA-N -1 3 390.259 2.966 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)c(C(F)(F)F)c1 ZINC000581776378 564817690 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GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2O1 ZINC000561479291 564997126 /nfs/dbraw/zinc/99/71/26/564997126.db2.gz LNKHVGRKIKGCQW-LBPRGKRZSA-N -1 3 393.262 2.603 20 30 GFEDHM Cc1cnccc1CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561540906 565000127 /nfs/dbraw/zinc/00/01/27/565000127.db2.gz SSHTVCSKAKETCK-UHFFFAOYSA-N -1 3 380.267 2.545 20 30 GFEDHM COc1cccc(COCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503795129 565027855 /nfs/dbraw/zinc/02/78/55/565027855.db2.gz RSDJQHFGHGODDR-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM N#Cc1cccc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)n1 ZINC000589361287 565161860 /nfs/dbraw/zinc/16/18/60/565161860.db2.gz NUHMFHGMEXFADO-UHFFFAOYSA-N -1 3 383.209 2.608 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NCc1cccs1 ZINC000592080056 565253842 /nfs/dbraw/zinc/25/38/42/565253842.db2.gz JCIZSOICLVNFBB-CQSZACIVSA-N -1 3 397.909 2.646 20 30 GFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[C@@H]1SC ZINC000592103840 565257137 /nfs/dbraw/zinc/25/71/37/565257137.db2.gz GSAJUICRAWQRBX-BZPMIXESSA-N -1 3 394.440 2.764 20 30 GFEDHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)on1 ZINC000618994408 565324237 /nfs/dbraw/zinc/32/42/37/565324237.db2.gz ZYBZBGWVMVZIKO-UHFFFAOYSA-N -1 3 384.255 2.911 20 30 GFEDHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000593569814 565342620 /nfs/dbraw/zinc/34/26/20/565342620.db2.gz QLNGREDHZWPAMV-MLGOLLRUSA-N -1 3 395.893 2.523 20 30 GFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)CC(F)(F)F ZINC000593608099 565346658 /nfs/dbraw/zinc/34/66/58/565346658.db2.gz NVOZXKSTTPEIJN-SNVBAGLBSA-N -1 3 378.372 2.602 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593630932 565350363 /nfs/dbraw/zinc/35/03/63/565350363.db2.gz BSQFOCYPBBYUAX-INIZCTEOSA-N -1 3 399.310 2.804 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000594722125 565412266 /nfs/dbraw/zinc/41/22/66/565412266.db2.gz ZMNJJJCYZSLSDC-SECBINFHSA-N -1 3 379.251 2.813 20 30 GFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595329325 565464436 /nfs/dbraw/zinc/46/44/36/565464436.db2.gz QGCKJLHBQFCYLG-UHFFFAOYSA-N -1 3 376.272 2.870 20 30 GFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)s1 ZINC000604277115 565926669 /nfs/dbraw/zinc/92/66/69/565926669.db2.gz JTOLCSFRLFDFGS-VXGBXAGGSA-N -1 3 377.491 2.856 20 30 GFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)s1 ZINC000610338653 566078631 /nfs/dbraw/zinc/07/86/31/566078631.db2.gz LYCQKMSENWUCPX-NEPJUHHUSA-N -1 3 377.491 2.856 20 30 GFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000656950824 566192469 /nfs/dbraw/zinc/19/24/69/566192469.db2.gz FGILYFLZBXIBQA-LBPRGKRZSA-N -1 3 392.315 2.701 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000737674248 598825020 /nfs/dbraw/zinc/82/50/20/598825020.db2.gz HPGMXOYYHDVQDS-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000737674248 598825022 /nfs/dbraw/zinc/82/50/22/598825022.db2.gz HPGMXOYYHDVQDS-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000735436560 598895362 /nfs/dbraw/zinc/89/53/62/598895362.db2.gz NJCQDEHCWLMGEM-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000735436560 598895363 /nfs/dbraw/zinc/89/53/63/598895363.db2.gz NJCQDEHCWLMGEM-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM N#Cc1ccc(NC(=O)c2sccc2Br)cc1-c1nnn[n-]1 ZINC000737718913 598926154 /nfs/dbraw/zinc/92/61/54/598926154.db2.gz NTYTYVLUESWPTF-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM N#Cc1ccc(NC(=O)c2sccc2Br)cc1-c1nn[n-]n1 ZINC000737718913 598926155 /nfs/dbraw/zinc/92/61/55/598926155.db2.gz NTYTYVLUESWPTF-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1OC(F)F ZINC000737121325 598926281 /nfs/dbraw/zinc/92/62/81/598926281.db2.gz NLQSOLSXSWFGRA-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1OC(F)F ZINC000737121325 598926282 /nfs/dbraw/zinc/92/62/82/598926282.db2.gz NLQSOLSXSWFGRA-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000737214527 598927047 /nfs/dbraw/zinc/92/70/47/598927047.db2.gz KVAJXJAXSWSWKW-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000737214527 598927048 /nfs/dbraw/zinc/92/70/48/598927048.db2.gz KVAJXJAXSWSWKW-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c(OC)c1 ZINC000735443616 598995513 /nfs/dbraw/zinc/99/55/13/598995513.db2.gz YKQZJMSEEDGLKW-UHFFFAOYSA-N -1 3 386.433 2.680 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000735443616 598995514 /nfs/dbraw/zinc/99/55/14/598995514.db2.gz YKQZJMSEEDGLKW-UHFFFAOYSA-N -1 3 386.433 2.680 20 30 GFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000735661675 599010041 /nfs/dbraw/zinc/01/00/41/599010041.db2.gz WQYRXIBXGBIMHH-UHFFFAOYSA-N -1 3 382.428 2.964 20 30 GFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000735661675 599010042 /nfs/dbraw/zinc/01/00/42/599010042.db2.gz WQYRXIBXGBIMHH-UHFFFAOYSA-N -1 3 382.428 2.964 20 30 GFEDHM CSc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737191903 599193953 /nfs/dbraw/zinc/19/39/53/599193953.db2.gz DIHBVXZQOJIKJO-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM CSc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737191903 599193955 /nfs/dbraw/zinc/19/39/55/599193955.db2.gz DIHBVXZQOJIKJO-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819751080 599256617 /nfs/dbraw/zinc/25/66/17/599256617.db2.gz OSRXXJODTKTFNF-CYBMUJFWSA-N -1 3 391.435 2.665 20 30 GFEDHM C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819751080 599256620 /nfs/dbraw/zinc/25/66/20/599256620.db2.gz OSRXXJODTKTFNF-CYBMUJFWSA-N -1 3 391.435 2.665 20 30 GFEDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(F)cc1 ZINC000823060435 607353228 /nfs/dbraw/zinc/35/32/28/607353228.db2.gz BPDYZHYYWGNJCE-UHFFFAOYSA-N -1 3 382.420 2.834 20 30 GFEDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(F)cc1 ZINC000823060435 607353229 /nfs/dbraw/zinc/35/32/29/607353229.db2.gz BPDYZHYYWGNJCE-UHFFFAOYSA-N -1 3 382.420 2.834 20 30 GFEDHM C#CCCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735375391 598378290 /nfs/dbraw/zinc/37/82/90/598378290.db2.gz ZFDUFAPJQSFCHU-AQTBWJFISA-N -1 3 385.383 2.613 20 30 GFEDHM C#CCCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735375391 598378291 /nfs/dbraw/zinc/37/82/91/598378291.db2.gz ZFDUFAPJQSFCHU-AQTBWJFISA-N -1 3 385.383 2.613 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380902 598417108 /nfs/dbraw/zinc/41/71/08/598417108.db2.gz NRFATERVPVNHMU-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000735418710 598418135 /nfs/dbraw/zinc/41/81/35/598418135.db2.gz HJNLBQBFXRMIBM-UHFFFAOYSA-N -1 3 381.823 2.918 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000735418710 598418137 /nfs/dbraw/zinc/41/81/37/598418137.db2.gz HJNLBQBFXRMIBM-UHFFFAOYSA-N -1 3 381.823 2.918 20 30 GFEDHM CC1N=NC(=S)N1N=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737533988 598546933 /nfs/dbraw/zinc/54/69/33/598546933.db2.gz QINXHJWZVKJNIW-UHFFFAOYSA-N -1 3 392.448 2.517 20 30 GFEDHM CC1N=NC(=S)N1N=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737533988 598546935 /nfs/dbraw/zinc/54/69/35/598546935.db2.gz QINXHJWZVKJNIW-UHFFFAOYSA-N -1 3 392.448 2.517 20 30 GFEDHM CCn1c(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC000736715004 598569150 /nfs/dbraw/zinc/56/91/50/598569150.db2.gz ZQHUOLFQMMQKHY-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM CCn1c(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)nc2cc(F)ccc21 ZINC000736715004 598569152 /nfs/dbraw/zinc/56/91/52/598569152.db2.gz ZQHUOLFQMMQKHY-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737035587 598586227 /nfs/dbraw/zinc/58/62/27/598586227.db2.gz UMOZWZSHHTYBAN-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737035587 598586229 /nfs/dbraw/zinc/58/62/29/598586229.db2.gz UMOZWZSHHTYBAN-UHFFFAOYSA-N -1 3 396.382 2.684 20 30 GFEDHM Cc1cc(N=NCc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)ncn1 ZINC000737281299 598639481 /nfs/dbraw/zinc/63/94/81/598639481.db2.gz SYZISUANAOXXKK-UHFFFAOYSA-N -1 3 386.419 2.990 20 30 GFEDHM Cc1cc(N=NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)ncn1 ZINC000737281299 598639483 /nfs/dbraw/zinc/63/94/83/598639483.db2.gz SYZISUANAOXXKK-UHFFFAOYSA-N -1 3 386.419 2.990 20 30 GFEDHM CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(C#N)cc1 ZINC000821087835 607363804 /nfs/dbraw/zinc/36/38/04/607363804.db2.gz HFFPPGLETWECAH-UHFFFAOYSA-N -1 3 393.451 2.799 20 30 GFEDHM CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccc(C#N)cc1 ZINC000821087835 607363805 /nfs/dbraw/zinc/36/38/05/607363805.db2.gz HFFPPGLETWECAH-UHFFFAOYSA-N -1 3 393.451 2.799 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735691903 598691076 /nfs/dbraw/zinc/69/10/76/598691076.db2.gz QSFFTBFDENWIMN-GOSISDBHSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735691903 598691078 /nfs/dbraw/zinc/69/10/78/598691078.db2.gz QSFFTBFDENWIMN-GOSISDBHSA-N -1 3 376.420 2.724 20 30 GFEDHM N#Cc1cn(CCOc2ccccc2-c2nnn[n-]2)c2ccc(Cl)cc2c1=O ZINC000737728327 598721238 /nfs/dbraw/zinc/72/12/38/598721238.db2.gz MJAPLXFTCZTVHE-UHFFFAOYSA-N -1 3 392.806 2.786 20 30 GFEDHM N#Cc1cn(CCOc2ccccc2-c2nn[n-]n2)c2ccc(Cl)cc2c1=O ZINC000737728327 598721239 /nfs/dbraw/zinc/72/12/39/598721239.db2.gz MJAPLXFTCZTVHE-UHFFFAOYSA-N -1 3 392.806 2.786 20 30 GFEDHM C[C@H](SCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736189733 599327353 /nfs/dbraw/zinc/32/73/53/599327353.db2.gz QSJZVIRNWVCJQG-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@H](SCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736189733 599327355 /nfs/dbraw/zinc/32/73/55/599327355.db2.gz QSJZVIRNWVCJQG-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820323068 599505952 /nfs/dbraw/zinc/50/59/52/599505952.db2.gz WXDOYONMSWZZIJ-IFXJQAMLSA-N -1 3 387.447 2.585 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000820120923 599678497 /nfs/dbraw/zinc/67/84/97/599678497.db2.gz MSSFIJVVUPNGCX-UHFFFAOYSA-N -1 3 393.426 2.998 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000820120923 599678498 /nfs/dbraw/zinc/67/84/98/599678498.db2.gz MSSFIJVVUPNGCX-UHFFFAOYSA-N -1 3 393.426 2.998 20 30 GFEDHM CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825654042 607399107 /nfs/dbraw/zinc/39/91/07/607399107.db2.gz NAJRRAWWDIQENF-OAHLLOKOSA-N -1 3 390.403 2.535 20 30 GFEDHM N#Cc1ccc(OC2CCN(C[C@H](O)COc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000739129012 600104059 /nfs/dbraw/zinc/10/40/59/600104059.db2.gz OIWYJMQJOUYDKH-SFHVURJKSA-N -1 3 396.443 2.540 20 30 GFEDHM N#Cc1ccc(SCC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826386192 607425758 /nfs/dbraw/zinc/42/57/58/607425758.db2.gz SZTACKYKCJJMRY-UHFFFAOYSA-N -1 3 376.445 2.636 20 30 GFEDHM N#Cc1ccc(SCC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826386192 607425759 /nfs/dbraw/zinc/42/57/59/607425759.db2.gz SZTACKYKCJJMRY-UHFFFAOYSA-N -1 3 376.445 2.636 20 30 GFEDHM N#CCn1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc2ccccc21 ZINC000826382868 607421561 /nfs/dbraw/zinc/42/15/61/607421561.db2.gz YLQOXLQZPNWDMS-UHFFFAOYSA-N -1 3 383.415 2.764 20 30 GFEDHM N#CCn1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc2ccccc21 ZINC000826382868 607421565 /nfs/dbraw/zinc/42/15/65/607421565.db2.gz YLQOXLQZPNWDMS-UHFFFAOYSA-N -1 3 383.415 2.764 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820168833 607429640 /nfs/dbraw/zinc/42/96/40/607429640.db2.gz BWKXOGVSXXMISP-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820168833 607429641 /nfs/dbraw/zinc/42/96/41/607429641.db2.gz BWKXOGVSXXMISP-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000822921939 607457189 /nfs/dbraw/zinc/45/71/89/607457189.db2.gz ASEMILJYEBSBPP-VMPITWQZSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000822921939 607457190 /nfs/dbraw/zinc/45/71/90/607457190.db2.gz ASEMILJYEBSBPP-VMPITWQZSA-N -1 3 379.395 2.739 20 30 GFEDHM C=CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823894481 607677813 /nfs/dbraw/zinc/67/78/13/607677813.db2.gz RGSKQWIODPRXDU-MRXNPFEDSA-N -1 3 387.440 2.992 20 30 GFEDHM C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833376820 605020441 /nfs/dbraw/zinc/02/04/41/605020441.db2.gz DPLQMYYTQLUMNY-UHFFFAOYSA-N -1 3 393.465 2.542 20 30 GFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833939792 605583721 /nfs/dbraw/zinc/58/37/21/605583721.db2.gz ARYFUBIQJISVDR-LSDHHAIUSA-N -1 3 392.419 2.575 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1-c1nnn[n-]1 ZINC000825531312 607766557 /nfs/dbraw/zinc/76/65/57/607766557.db2.gz IPESTUJXIJZLFA-UHFFFAOYSA-N -1 3 398.427 2.593 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N(CCC#N)CC2CC2)cc1-c1nn[n-]n1 ZINC000825531312 607766558 /nfs/dbraw/zinc/76/65/58/607766558.db2.gz IPESTUJXIJZLFA-UHFFFAOYSA-N -1 3 398.427 2.593 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccccc1)c1ccccc1C#N ZINC000822623107 606223127 /nfs/dbraw/zinc/22/31/27/606223127.db2.gz OTPUKNZVYNKDMS-UHFFFAOYSA-N -1 3 383.415 2.924 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccccc1)c1ccccc1C#N ZINC000822623107 606223128 /nfs/dbraw/zinc/22/31/28/606223128.db2.gz OTPUKNZVYNKDMS-UHFFFAOYSA-N -1 3 383.415 2.924 20 30 GFEDHM N#Cc1ccc(N2CC[C@H](Nc3ccc(Cl)c(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000822829823 606245596 /nfs/dbraw/zinc/24/55/96/606245596.db2.gz KUMCBWREKYZWGL-INIZCTEOSA-N -1 3 379.811 2.609 20 30 GFEDHM N#Cc1ccc(N2CC[C@H](Nc3ccc(Cl)c(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000822829823 606245597 /nfs/dbraw/zinc/24/55/97/606245597.db2.gz KUMCBWREKYZWGL-INIZCTEOSA-N -1 3 379.811 2.609 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822801090 606301161 /nfs/dbraw/zinc/30/11/61/606301161.db2.gz DPKWMADSOJRXRM-MJGOQNOKSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822802343 606445157 /nfs/dbraw/zinc/44/51/57/606445157.db2.gz ZMXQPUSKGXZNAQ-OALUTQOASA-N -1 3 387.447 2.577 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169148 606641249 /nfs/dbraw/zinc/64/12/49/606641249.db2.gz YSMSMIQLZCYSOE-KRWDZBQOSA-N -1 3 377.452 2.942 20 30 GFEDHM C#CCOCCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819701280 606822869 /nfs/dbraw/zinc/82/28/69/606822869.db2.gz AWEAKRUKTYFRDB-UHFFFAOYSA-N -1 3 380.429 2.825 20 30 GFEDHM C#CCOCCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819701280 606822870 /nfs/dbraw/zinc/82/28/70/606822870.db2.gz AWEAKRUKTYFRDB-UHFFFAOYSA-N -1 3 380.429 2.825 20 30 GFEDHM C=CCNc1nc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000819750592 606942886 /nfs/dbraw/zinc/94/28/86/606942886.db2.gz GQVLHVKQUGXFQT-UHFFFAOYSA-N -1 3 386.437 2.547 20 30 GFEDHM C=CCNc1nc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000819750592 606942888 /nfs/dbraw/zinc/94/28/88/606942888.db2.gz GQVLHVKQUGXFQT-UHFFFAOYSA-N -1 3 386.437 2.547 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820315223 606991854 /nfs/dbraw/zinc/99/18/54/606991854.db2.gz MGZXGASQMWXLJC-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820315223 606991855 /nfs/dbraw/zinc/99/18/55/606991855.db2.gz MGZXGASQMWXLJC-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316064 607050370 /nfs/dbraw/zinc/05/03/70/607050370.db2.gz RWJBCUCYVZLWLI-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316064 607050372 /nfs/dbraw/zinc/05/03/72/607050372.db2.gz RWJBCUCYVZLWLI-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825425 607099068 /nfs/dbraw/zinc/09/90/68/607099068.db2.gz FGAALPWCAGNKPV-YOYBCKCWSA-N -1 3 381.442 2.928 20 30 GFEDHM CCN1C(=O)C(=NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c2ccccc21 ZINC000821243176 607145152 /nfs/dbraw/zinc/14/51/52/607145152.db2.gz ZTBMJGCVCBKTDV-UHFFFAOYSA-N -1 3 384.403 2.538 20 30 GFEDHM CCN1C(=O)C(=NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c2ccccc21 ZINC000821243176 607145154 /nfs/dbraw/zinc/14/51/54/607145154.db2.gz ZTBMJGCVCBKTDV-UHFFFAOYSA-N -1 3 384.403 2.538 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826400948 607917059 /nfs/dbraw/zinc/91/70/59/607917059.db2.gz LSKAJNPPZLZXNJ-KRXBUXKQSA-N -1 3 393.422 2.863 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826400948 607917060 /nfs/dbraw/zinc/91/70/60/607917060.db2.gz LSKAJNPPZLZXNJ-KRXBUXKQSA-N -1 3 393.422 2.863 20 30 GFEDHM C=C[C@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883298 607981173 /nfs/dbraw/zinc/98/11/73/607981173.db2.gz NVTKLSVHGBAIIT-AUUYWEPGSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883298 607981174 /nfs/dbraw/zinc/98/11/74/607981174.db2.gz NVTKLSVHGBAIIT-AUUYWEPGSA-N -1 3 392.415 2.984 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(CCC#N)Cc2ccccn2)c1-c1nnn[n-]1 ZINC000826332620 608315666 /nfs/dbraw/zinc/31/56/66/608315666.db2.gz ZQFFPLZGBKGMPJ-UHFFFAOYSA-N -1 3 399.462 2.672 20 30 GFEDHM CCN(C(=O)COc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372016 608344832 /nfs/dbraw/zinc/34/48/32/608344832.db2.gz PYYVFUJWHHZPEU-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM CCN(C(=O)COc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372016 608344834 /nfs/dbraw/zinc/34/48/34/608344834.db2.gz PYYVFUJWHHZPEU-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM C#CCN(CC#CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823846029 608357381 /nfs/dbraw/zinc/35/73/81/608357381.db2.gz XWWZIGKRQNFTCW-UHFFFAOYSA-N -1 3 384.443 2.702 20 30 GFEDHM C#CCN(CC#CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823846029 608357383 /nfs/dbraw/zinc/35/73/83/608357383.db2.gz XWWZIGKRQNFTCW-UHFFFAOYSA-N -1 3 384.443 2.702 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826385119 608443665 /nfs/dbraw/zinc/44/36/65/608443665.db2.gz XWFMIVUHVUDNIT-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826385119 608443666 /nfs/dbraw/zinc/44/36/66/608443666.db2.gz XWFMIVUHVUDNIT-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccc(C#N)c1F ZINC000824178286 608452236 /nfs/dbraw/zinc/45/22/36/608452236.db2.gz OZAYQTPPTDYQSV-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc(C#N)c1F ZINC000824178286 608452237 /nfs/dbraw/zinc/45/22/37/608452237.db2.gz OZAYQTPPTDYQSV-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM Cc1ncc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)n1-c1ccccc1 ZINC000826329402 608537394 /nfs/dbraw/zinc/53/73/94/608537394.db2.gz BCNPBXFRMACSMG-UHFFFAOYSA-N -1 3 379.815 2.855 20 30 GFEDHM Cc1ncc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)n1-c1ccccc1 ZINC000826329402 608537395 /nfs/dbraw/zinc/53/73/95/608537395.db2.gz BCNPBXFRMACSMG-UHFFFAOYSA-N -1 3 379.815 2.855 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ncc(Br)s1 ZINC000823958760 608538461 /nfs/dbraw/zinc/53/84/61/608538461.db2.gz VDWMFRJCPHSKMS-UHFFFAOYSA-N -1 3 399.665 2.970 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ncc(Br)s1 ZINC000823958760 608538462 /nfs/dbraw/zinc/53/84/62/608538462.db2.gz VDWMFRJCPHSKMS-UHFFFAOYSA-N -1 3 399.665 2.970 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cnn(-c2ccccc2)c1 ZINC000823958441 608538607 /nfs/dbraw/zinc/53/86/07/608538607.db2.gz NGSMDCWQMOQYME-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cnn(-c2ccccc2)c1 ZINC000823958441 608538609 /nfs/dbraw/zinc/53/86/09/608538609.db2.gz NGSMDCWQMOQYME-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM COCCN(CCC#N)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826157891 608681014 /nfs/dbraw/zinc/68/10/14/608681014.db2.gz QDTMIPAOEVMELS-UHFFFAOYSA-N -1 3 392.463 2.808 20 30 GFEDHM COCCN(CCC#N)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826157891 608681016 /nfs/dbraw/zinc/68/10/16/608681016.db2.gz QDTMIPAOEVMELS-UHFFFAOYSA-N -1 3 392.463 2.808 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826380268 608748817 /nfs/dbraw/zinc/74/88/17/608748817.db2.gz SWRKOTPKGVPHPI-RTBURBONSA-N -1 3 384.447 2.786 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826380268 608748819 /nfs/dbraw/zinc/74/88/19/608748819.db2.gz SWRKOTPKGVPHPI-RTBURBONSA-N -1 3 384.447 2.786 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3nccn32)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234140 608753788 /nfs/dbraw/zinc/75/37/88/608753788.db2.gz JNEDWUFYNJIYSA-MDZDMXLPSA-N -1 3 396.414 2.905 20 30 GFEDHM C[C@H](C#N)Oc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824035187 608853220 /nfs/dbraw/zinc/85/32/20/608853220.db2.gz SZQIAGWBCWJGDE-FOIQADDNSA-N -1 3 390.447 2.731 20 30 GFEDHM CC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000825212939 608856409 /nfs/dbraw/zinc/85/64/09/608856409.db2.gz VADHXQKPTCPUJS-GJZGRUSLSA-N -1 3 395.467 2.799 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000826234263 608879322 /nfs/dbraw/zinc/87/93/22/608879322.db2.gz OHDDASKDPHADKM-VURMDHGXSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000826234263 608879326 /nfs/dbraw/zinc/87/93/26/608879326.db2.gz OHDDASKDPHADKM-VURMDHGXSA-N -1 3 375.367 2.791 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1N1CCOCC1 ZINC000826400484 608880781 /nfs/dbraw/zinc/88/07/81/608880781.db2.gz AACIGUNOLQRLGE-ALCCZGGFSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1N1CCOCC1 ZINC000826400484 608880784 /nfs/dbraw/zinc/88/07/84/608880784.db2.gz AACIGUNOLQRLGE-ALCCZGGFSA-N -1 3 397.385 2.878 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824135842 609226333 /nfs/dbraw/zinc/22/63/33/609226333.db2.gz IZKFOKWCPCAFEI-ROUUACIJSA-N -1 3 390.447 2.579 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135842 609226335 /nfs/dbraw/zinc/22/63/35/609226335.db2.gz IZKFOKWCPCAFEI-ROUUACIJSA-N -1 3 390.447 2.579 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824658337 609240063 /nfs/dbraw/zinc/24/00/63/609240063.db2.gz WCONIBNUGAYMFW-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824658337 609240065 /nfs/dbraw/zinc/24/00/65/609240065.db2.gz WCONIBNUGAYMFW-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM COc1ccc(CNc2ccn(-c3cccc(F)c3C#N)n2)cc1-c1nnn[n-]1 ZINC000826203801 609278848 /nfs/dbraw/zinc/27/88/48/609278848.db2.gz GSYQHJJXHHHIIX-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM COc1ccc(CNc2ccn(-c3cccc(F)c3C#N)n2)cc1-c1nn[n-]n1 ZINC000826203801 609278850 /nfs/dbraw/zinc/27/88/50/609278850.db2.gz GSYQHJJXHHHIIX-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC ZINC000826190684 609282534 /nfs/dbraw/zinc/28/25/34/609282534.db2.gz JODJAXNJLAVWSD-LBPRGKRZSA-N -1 3 392.419 2.573 20 30 GFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC ZINC000826190684 609282535 /nfs/dbraw/zinc/28/25/35/609282535.db2.gz JODJAXNJLAVWSD-LBPRGKRZSA-N -1 3 392.419 2.573 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)OCC ZINC000823872850 609286585 /nfs/dbraw/zinc/28/65/85/609286585.db2.gz FECNFZSETQQXQY-CQSZACIVSA-N -1 3 385.403 2.501 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc(Br)n2)n1 ZINC000826350243 609306291 /nfs/dbraw/zinc/30/62/91/609306291.db2.gz NMZWLLAABRTMIZ-UHFFFAOYSA-N -1 3 379.609 2.519 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc(Br)n2)n1 ZINC000826350243 609306292 /nfs/dbraw/zinc/30/62/92/609306292.db2.gz NMZWLLAABRTMIZ-UHFFFAOYSA-N -1 3 379.609 2.519 20 30 GFEDHM Cn1cc(C=NNCc2ccc(F)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359523 609306779 /nfs/dbraw/zinc/30/67/79/609306779.db2.gz JKKOTHJTGAWLEN-UHFFFAOYSA-N -1 3 394.389 2.669 20 30 GFEDHM Cn1cc(C=NNCc2ccc(F)cc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359523 609306781 /nfs/dbraw/zinc/30/67/81/609306781.db2.gz JKKOTHJTGAWLEN-UHFFFAOYSA-N -1 3 394.389 2.669 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000826258584 609522094 /nfs/dbraw/zinc/52/20/94/609522094.db2.gz OXKJNYMVMADZNS-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1 ZINC000826258584 609522096 /nfs/dbraw/zinc/52/20/96/609522096.db2.gz OXKJNYMVMADZNS-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNc2nccc(C)c2-c2nnn[n-]2)ccc1OC ZINC000825039369 609552360 /nfs/dbraw/zinc/55/23/60/609552360.db2.gz QVDOHMFZOLNNAA-AWEZNQCLSA-N -1 3 379.424 2.872 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNc2nccc(C)c2-c2nn[n-]n2)ccc1OC ZINC000825039369 609552363 /nfs/dbraw/zinc/55/23/63/609552363.db2.gz QVDOHMFZOLNNAA-AWEZNQCLSA-N -1 3 379.424 2.872 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824035542 609624798 /nfs/dbraw/zinc/62/47/98/609624798.db2.gz ZLTSLVMUTIDUCV-OLZOCXBDSA-N -1 3 378.392 2.564 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000824033715 609624851 /nfs/dbraw/zinc/62/48/51/609624851.db2.gz AADXIDJAOWERDN-QWHCGFSZSA-N -1 3 378.392 2.564 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000824033715 609624852 /nfs/dbraw/zinc/62/48/52/609624852.db2.gz AADXIDJAOWERDN-QWHCGFSZSA-N -1 3 378.392 2.564 20 30 GFEDHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1ccccc1Br ZINC000820180490 660284138 /nfs/dbraw/zinc/28/41/38/660284138.db2.gz ZKPODOXPINPJIT-CQSZACIVSA-N -1 3 392.253 2.577 20 30 GFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000859423752 662161512 /nfs/dbraw/zinc/16/15/12/662161512.db2.gz KRCLVZOQVMVXDK-NSHDSACASA-N -1 3 380.691 2.809 20 30 GFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[C@H](C)SC ZINC000835681975 660869945 /nfs/dbraw/zinc/86/99/45/660869945.db2.gz TUCDMXCJZIQYKV-JSGCOSHPSA-N -1 3 384.523 2.579 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2csc(CC)n2)ccc1F ZINC000031223182 654592893 /nfs/dbraw/zinc/59/28/93/654592893.db2.gz FQWYBJWTLKVXQX-UHFFFAOYSA-N -1 3 384.454 2.666 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2)ccc1F ZINC000045269702 654666847 /nfs/dbraw/zinc/66/68/47/654666847.db2.gz UGIOPSFMFNOOAQ-UHFFFAOYSA-N -1 3 382.844 2.873 20 30 GFEDHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055583777 654778670 /nfs/dbraw/zinc/77/86/70/654778670.db2.gz IMVOWTQLVGQOSQ-UHFFFAOYSA-N -1 3 388.829 2.555 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC)c2nccs2)ccc1F ZINC000131700131 654913948 /nfs/dbraw/zinc/91/39/48/654913948.db2.gz RGHSBOQHBDQDLE-CYBMUJFWSA-N -1 3 383.470 2.628 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271419757 655080791 /nfs/dbraw/zinc/08/07/91/655080791.db2.gz LJIOSEOVPSKRKV-CYBMUJFWSA-N -1 3 395.200 2.823 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2c(C)nsc2C)ccc1F ZINC000839386972 661082201 /nfs/dbraw/zinc/08/22/01/661082201.db2.gz GLOUPWYZVFBVGG-UHFFFAOYSA-N -1 3 384.454 2.720 20 30 GFEDHM C[C@H]([N-]C(=O)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475442 655376587 /nfs/dbraw/zinc/37/65/87/655376587.db2.gz YXNHBXDGRNBPKJ-SSDLBLMSSA-N -1 3 378.219 2.751 20 30 GFEDHM C=CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccncc1 ZINC000734460474 655630918 /nfs/dbraw/zinc/63/09/18/655630918.db2.gz PGPZCBWVUMNPMT-LBPRGKRZSA-N -1 3 385.898 2.508 20 30 GFEDHM C[C@@H](CC(=O)OCCSC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744130136 655735471 /nfs/dbraw/zinc/73/54/71/655735471.db2.gz JNPJKPVVMYILBT-LBPRGKRZSA-N -1 3 384.523 2.579 20 30 GFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnc2n[nH]nc2c1 ZINC000783076934 657205973 /nfs/dbraw/zinc/20/59/73/657205973.db2.gz NHLVUTXNSNNNMD-VIFPVBQESA-N -1 3 375.175 2.621 20 30 GFEDHM C#CCSc1ccc(COC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1 ZINC000788417298 657712162 /nfs/dbraw/zinc/71/21/62/657712162.db2.gz IYLBYKKRCMVADA-UHFFFAOYSA-N -1 3 379.459 2.578 20 30 GFEDHM N#Cc1cc(Cl)cc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000808320623 659888303 /nfs/dbraw/zinc/88/83/03/659888303.db2.gz LNHYZSLTWUDOER-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1cc(Cl)cc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000808320623 659888306 /nfs/dbraw/zinc/88/83/06/659888306.db2.gz LNHYZSLTWUDOER-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM O=C(Cc1csc2ccc(Br)cc12)N[C@H]1CCCN([O-])C1=O ZINC000848134325 661627207 /nfs/dbraw/zinc/62/72/07/661627207.db2.gz RXUXQHWYNNZVRG-LBPRGKRZSA-N -1 3 383.267 2.703 20 30 GFEDHM Cc1c(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)cnn1C(C)C ZINC000848376174 661644508 /nfs/dbraw/zinc/64/45/08/661644508.db2.gz MFFMQAYTBATKOA-UHFFFAOYSA-N -1 3 392.257 2.569 20 30 GFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(Br)c1 ZINC000860201499 662192436 /nfs/dbraw/zinc/19/24/36/662192436.db2.gz MFMBRYMZKKQIBQ-MGPLVRAMSA-N -1 3 383.242 2.754 20 30 GFEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000867322997 662542363 /nfs/dbraw/zinc/54/23/63/662542363.db2.gz YFFGRLGFTPVQBS-RNODOKPDSA-N -1 3 393.328 2.542 20 30 GFEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000867322998 662542372 /nfs/dbraw/zinc/54/23/72/662542372.db2.gz YFFGRLGFTPVQBS-XCLFUZPHSA-N -1 3 393.328 2.542 20 30 GFEDHM O=C(Nc1cc(Br)c(F)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000878893987 662908841 /nfs/dbraw/zinc/90/88/41/662908841.db2.gz YTFPGISSASOSSE-SECBINFHSA-N -1 3 380.601 2.743 20 30 GFEDHM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000879492807 662927401 /nfs/dbraw/zinc/92/74/01/662927401.db2.gz RXRBTQQGMADVNC-SNVBAGLBSA-N -1 3 381.738 2.783 20 30 GFEDHM COc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(Cl)cc1Br ZINC000880142081 662952522 /nfs/dbraw/zinc/95/25/22/662952522.db2.gz YMYBPDZKSNAJFI-VIFPVBQESA-N -1 3 392.637 2.613 20 30 GFEDHM CC(C)(C)NS(=O)(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000887270300 663140238 /nfs/dbraw/zinc/14/02/38/663140238.db2.gz LJXROQFDOZVDFP-RQZCQDPDSA-N -1 3 389.315 2.824 20 30 GFEDHM CCS(=O)(=O)N1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901379802 663734966 /nfs/dbraw/zinc/73/49/66/663734966.db2.gz FSTQJMJEGLMBQS-UHFFFAOYSA-N -1 3 395.308 2.773 20 30 GFEDHM COc1ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)cc1Br ZINC000901775668 663745765 /nfs/dbraw/zinc/74/57/65/663745765.db2.gz NEPZBCNIQBFZFE-JTQLQIEISA-N -1 3 387.177 2.581 20 30 GFEDHM C=CCOC[C@@H](NCc1cn(-c2ccccc2Br)nc1C)C(=O)[O-] ZINC000901811554 663746726 /nfs/dbraw/zinc/74/67/26/663746726.db2.gz UTRBWIXMWPBGRQ-OAHLLOKOSA-N -1 3 394.269 2.689 20 30 GFEDHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000126129624 551326662 /nfs/dbraw/zinc/32/66/62/551326662.db2.gz VWBXNOTYUWPVQW-ZDUSSCGKSA-N -1 3 379.873 2.740 20 30 GFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000163525922 551620919 /nfs/dbraw/zinc/62/09/19/551620919.db2.gz VPICJIHRSQIKLP-UHFFFAOYSA-N -1 3 379.360 2.792 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(C(F)(F)F)cs1 ZINC000173838663 552093641 /nfs/dbraw/zinc/09/36/41/552093641.db2.gz WUEZSMRXLWIBIC-JTQLQIEISA-N -1 3 376.385 2.858 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000183501855 552311001 /nfs/dbraw/zinc/31/10/01/552311001.db2.gz KUMBSUQGCQRGFC-UHFFFAOYSA-N -1 3 376.869 2.554 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000183521640 552311898 /nfs/dbraw/zinc/31/18/98/552311898.db2.gz HEHQYCOMLFPGMF-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193676048 552999592 /nfs/dbraw/zinc/99/95/92/552999592.db2.gz CGPFZEGOMJWUDN-GFCCVEGCSA-N -1 3 377.491 2.855 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000295824295 563263722 /nfs/dbraw/zinc/26/37/22/563263722.db2.gz VEKXHBHKXVGJKN-UWVGGRQHSA-N -1 3 377.344 2.974 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(CNc2nc(C(F)(F)F)ccc2C#N)s1 ZINC000301295927 563399348 /nfs/dbraw/zinc/39/93/48/563399348.db2.gz PFKPYPOVUJWZTR-UHFFFAOYSA-N -1 3 376.385 2.554 20 30 GFEDHM N#Cc1cccnc1-n1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000302178150 563422962 /nfs/dbraw/zinc/42/29/62/563422962.db2.gz XFXSVGCECUPUOO-UHFFFAOYSA-N -1 3 386.169 2.948 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CCOCC1 ZINC000330660245 563516318 /nfs/dbraw/zinc/51/63/18/563516318.db2.gz BJURZFRZBYTEOU-AWEZNQCLSA-N -1 3 387.299 2.804 20 30 GFEDHM Cc1nsc([N-]C(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)c1C#N ZINC000410814231 563596890 /nfs/dbraw/zinc/59/68/90/563596890.db2.gz RWZHTHWXSGQMJL-UHFFFAOYSA-N -1 3 379.463 2.766 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccccc1Br ZINC000433464868 563613555 /nfs/dbraw/zinc/61/35/55/563613555.db2.gz YEDLQLIBQXFMDB-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000333243923 563625611 /nfs/dbraw/zinc/62/56/11/563625611.db2.gz IYFRCJCWFVRRNI-GOEBONIOSA-N -1 3 381.910 2.997 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000435427243 563649703 /nfs/dbraw/zinc/64/97/03/563649703.db2.gz LYKBLDIEXWHZLX-NSHDSACASA-N -1 3 377.274 2.938 20 30 GFEDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1 ZINC000435446473 563652373 /nfs/dbraw/zinc/65/23/73/563652373.db2.gz KGGVEWFZHOKUAE-OAHLLOKOSA-N -1 3 376.438 2.560 20 30 GFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000412843433 563671302 /nfs/dbraw/zinc/67/13/02/563671302.db2.gz SCYPTVMDSKQXIA-MRXNPFEDSA-N -1 3 378.519 2.720 20 30 GFEDHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000437929820 563700775 /nfs/dbraw/zinc/70/07/75/563700775.db2.gz BYUMTPWDODVYBB-UHFFFAOYSA-N -1 3 379.825 2.979 20 30 GFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414449313 563738157 /nfs/dbraw/zinc/73/81/57/563738157.db2.gz BRXJWPBRRQMFFD-NSHDSACASA-N -1 3 383.373 2.537 20 30 GFEDHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000442828688 563780681 /nfs/dbraw/zinc/78/06/81/563780681.db2.gz SJNZKDRBLHLWDZ-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(OCC2CC2)nc1 ZINC000443037673 563788536 /nfs/dbraw/zinc/78/85/36/563788536.db2.gz MDHVUGHGFJSNMP-UHFFFAOYSA-N -1 3 377.853 2.874 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCN1CCc2ccccc2C1 ZINC000443094873 563791878 /nfs/dbraw/zinc/79/18/78/563791878.db2.gz DOWHJXQVRZPQAF-UHFFFAOYSA-N -1 3 375.881 2.548 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@H]1COc2ccccc2O1 ZINC000443491071 563806648 /nfs/dbraw/zinc/80/66/48/563806648.db2.gz MSIKSPDIGPDOBB-LBPRGKRZSA-N -1 3 378.837 2.720 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nnc2n1CCCCC2 ZINC000366639321 563816371 /nfs/dbraw/zinc/81/63/71/563816371.db2.gz MIBRFTVDVHMGOT-LLVKDONJSA-N -1 3 379.873 2.569 20 30 GFEDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416502179 563839854 /nfs/dbraw/zinc/83/98/54/563839854.db2.gz KTTSFCRVMFBEQV-NSHDSACASA-N -1 3 387.299 2.804 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416665375 563859374 /nfs/dbraw/zinc/85/93/74/563859374.db2.gz UZSYVWWVTMKMCW-CQSZACIVSA-N -1 3 376.459 2.762 20 30 GFEDHM CC(C)(C#N)CCS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000368143020 563865038 /nfs/dbraw/zinc/86/50/38/563865038.db2.gz OXPBWPMBVKVGRR-CQSZACIVSA-N -1 3 383.901 2.695 20 30 GFEDHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000476502589 564342501 /nfs/dbraw/zinc/34/25/01/564342501.db2.gz GHLSYAFAACSPLG-CYBMUJFWSA-N -1 3 378.837 2.502 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1Cl ZINC000567071472 564356570 /nfs/dbraw/zinc/35/65/70/564356570.db2.gz FSHHCBOEUJJBBI-LLVKDONJSA-N -1 3 385.272 2.919 20 30 GFEDHM C[C@](CO)([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(Br)cc1 ZINC000511336432 564368390 /nfs/dbraw/zinc/36/83/90/564368390.db2.gz YHVFYUCDXYZZBZ-MRXNPFEDSA-N -1 3 395.278 2.507 20 30 GFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1)C1CC1 ZINC000569340721 564459856 /nfs/dbraw/zinc/45/98/56/564459856.db2.gz XWYMMCKMHLGPCB-CQSZACIVSA-N -1 3 378.372 2.666 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000553437875 564720560 /nfs/dbraw/zinc/72/05/60/564720560.db2.gz LNCMLDWMLTULFY-UHFFFAOYSA-N -1 3 399.241 2.817 20 30 GFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000491543170 564792896 /nfs/dbraw/zinc/79/28/96/564792896.db2.gz FXQYACJXTPOFRX-CQSZACIVSA-N -1 3 389.901 2.626 20 30 GFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cc([O-])ccc1Br ZINC000461401814 564796116 /nfs/dbraw/zinc/79/61/16/564796116.db2.gz AFUJNPYTMYGBJS-UHFFFAOYSA-N -1 3 384.237 2.950 20 30 GFEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc(C#N)c1 ZINC000581460447 564803505 /nfs/dbraw/zinc/80/35/05/564803505.db2.gz PGCUFYYKMQPXRT-UHFFFAOYSA-N -1 3 378.837 2.519 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000583244814 564882805 /nfs/dbraw/zinc/88/28/05/564882805.db2.gz WGKSZUGBKDKKIL-CJNGLKHVSA-N -1 3 377.853 2.805 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H](C#N)c2ccccc2Cl)ccc1F ZINC000499950641 564941998 /nfs/dbraw/zinc/94/19/98/564941998.db2.gz LQHWCHPCWOPNTH-OAHLLOKOSA-N -1 3 381.816 2.845 20 30 GFEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502244143 564994928 /nfs/dbraw/zinc/99/49/28/564994928.db2.gz FPXSALLHWSTERY-UHFFFAOYSA-N -1 3 385.898 2.996 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000561530109 564999627 /nfs/dbraw/zinc/99/96/27/564999627.db2.gz NSQPYIJGHOCGML-GFCCVEGCSA-N -1 3 387.299 2.948 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)c1 ZINC000561562337 565002703 /nfs/dbraw/zinc/00/27/03/565002703.db2.gz OUYHRFAOSJIMRD-LBPRGKRZSA-N -1 3 385.272 2.919 20 30 GFEDHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC000537180914 565054654 /nfs/dbraw/zinc/05/46/54/565054654.db2.gz BKMBQCJLACQVLQ-QCZZGDTMSA-N -1 3 376.400 2.915 20 30 GFEDHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594764923 565416387 /nfs/dbraw/zinc/41/63/87/565416387.db2.gz FJVUGEAKUZIVJI-LLVKDONJSA-N -1 3 388.417 2.557 20 30 GFEDHM COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594784121 565420398 /nfs/dbraw/zinc/42/03/98/565420398.db2.gz LNQUJJDIAZVSNH-AWEZNQCLSA-N -1 3 378.475 2.701 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1OC ZINC000736310487 598830043 /nfs/dbraw/zinc/83/00/43/598830043.db2.gz ZNXXWKZXJQOQFO-AWEZNQCLSA-N -1 3 394.439 2.575 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1OC ZINC000736310487 598830045 /nfs/dbraw/zinc/83/00/45/598830045.db2.gz ZNXXWKZXJQOQFO-AWEZNQCLSA-N -1 3 394.439 2.575 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387927 598849406 /nfs/dbraw/zinc/84/94/06/598849406.db2.gz LGJFVWKYOJLXGE-UHFFFAOYSA-N -1 3 378.461 2.707 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736040743 598884806 /nfs/dbraw/zinc/88/48/06/598884806.db2.gz RDZJCOJJCDOARG-CQSZACIVSA-N -1 3 377.404 2.682 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736040743 598884807 /nfs/dbraw/zinc/88/48/07/598884807.db2.gz RDZJCOJJCDOARG-CQSZACIVSA-N -1 3 377.404 2.682 20 30 GFEDHM COc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737109237 598913828 /nfs/dbraw/zinc/91/38/28/598913828.db2.gz HATVEUDGRFAOQE-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM COc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737109237 598913830 /nfs/dbraw/zinc/91/38/30/598913830.db2.gz HATVEUDGRFAOQE-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2)n1 ZINC000737255860 598914930 /nfs/dbraw/zinc/91/49/30/598914930.db2.gz FKCGLTXPQIDMDE-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2)n1 ZINC000737255860 598914932 /nfs/dbraw/zinc/91/49/32/598914932.db2.gz FKCGLTXPQIDMDE-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1-c1nnn[n-]1 ZINC000737718258 598917481 /nfs/dbraw/zinc/91/74/81/598917481.db2.gz GNKVOOYZUKIDBI-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1-c1nn[n-]n1 ZINC000737718258 598917483 /nfs/dbraw/zinc/91/74/83/598917483.db2.gz GNKVOOYZUKIDBI-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM Clc1ccccc1Cn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822585497 607252852 /nfs/dbraw/zinc/25/28/52/607252852.db2.gz AVVMMBQVOLCVRU-UHFFFAOYSA-N -1 3 392.854 2.889 20 30 GFEDHM Clc1ccccc1Cn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822585497 607252853 /nfs/dbraw/zinc/25/28/53/607252853.db2.gz AVVMMBQVOLCVRU-UHFFFAOYSA-N -1 3 392.854 2.889 20 30 GFEDHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737504407 598919200 /nfs/dbraw/zinc/91/92/00/598919200.db2.gz XAWWMNOKQMPHCE-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737504407 598919202 /nfs/dbraw/zinc/91/92/02/598919202.db2.gz XAWWMNOKQMPHCE-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000737719357 598927919 /nfs/dbraw/zinc/92/79/19/598927919.db2.gz PHEMEYWJJUAFOE-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000737719357 598927921 /nfs/dbraw/zinc/92/79/21/598927921.db2.gz PHEMEYWJJUAFOE-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000737221544 598948834 /nfs/dbraw/zinc/94/88/34/598948834.db2.gz NYEHKBXCASVCMS-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000737221544 598948835 /nfs/dbraw/zinc/94/88/35/598948835.db2.gz NYEHKBXCASVCMS-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM Cc1cc(C#N)ccc1S(=O)(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737230986 598949330 /nfs/dbraw/zinc/94/93/30/598949330.db2.gz LLVBNPJWQNVLJV-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736509398 598970430 /nfs/dbraw/zinc/97/04/30/598970430.db2.gz XMMKXRYKAVHRAT-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736509398 598970431 /nfs/dbraw/zinc/97/04/31/598970431.db2.gz XMMKXRYKAVHRAT-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735380081 599091905 /nfs/dbraw/zinc/09/19/05/599091905.db2.gz BTNLSTVDZRLRJR-UHFFFAOYSA-N -1 3 383.408 2.749 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735380081 599091907 /nfs/dbraw/zinc/09/19/07/599091907.db2.gz BTNLSTVDZRLRJR-UHFFFAOYSA-N -1 3 383.408 2.749 20 30 GFEDHM C=CCn1c(S[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC000735443496 599110751 /nfs/dbraw/zinc/11/07/51/599110751.db2.gz XAUHEVSOUNAVNC-CQSZACIVSA-N -1 3 397.464 2.528 20 30 GFEDHM C=CCn1c(S[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000735443496 599110752 /nfs/dbraw/zinc/11/07/52/599110752.db2.gz XAUHEVSOUNAVNC-CQSZACIVSA-N -1 3 397.464 2.528 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822836978 599170383 /nfs/dbraw/zinc/17/03/83/599170383.db2.gz CQNODFITNABGHQ-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822836978 599170385 /nfs/dbraw/zinc/17/03/85/599170385.db2.gz CQNODFITNABGHQ-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736172603 599191406 /nfs/dbraw/zinc/19/14/06/599191406.db2.gz AXOSTHCPTWWWTC-SECBINFHSA-N -1 3 386.774 2.937 20 30 GFEDHM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736172603 599191409 /nfs/dbraw/zinc/19/14/09/599191409.db2.gz AXOSTHCPTWWWTC-SECBINFHSA-N -1 3 386.774 2.937 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737698013 599242541 /nfs/dbraw/zinc/24/25/41/599242541.db2.gz QWOIBOSOJZWKOG-UHFFFAOYSA-N -1 3 399.794 2.545 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737698013 599242542 /nfs/dbraw/zinc/24/25/42/599242542.db2.gz QWOIBOSOJZWKOG-UHFFFAOYSA-N -1 3 399.794 2.545 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819709440 599258693 /nfs/dbraw/zinc/25/86/93/599258693.db2.gz FTODOXQGEMYXAR-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819709440 599258696 /nfs/dbraw/zinc/25/86/96/599258696.db2.gz FTODOXQGEMYXAR-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736487157 599276777 /nfs/dbraw/zinc/27/67/77/599276777.db2.gz DGGXPGGNAJWXOO-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736487157 599276780 /nfs/dbraw/zinc/27/67/80/599276780.db2.gz DGGXPGGNAJWXOO-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM C=CCNc1ncc(C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819751685 607323975 /nfs/dbraw/zinc/32/39/75/607323975.db2.gz ZHSLYRDCCMTUKX-UHFFFAOYSA-N -1 3 383.481 2.974 20 30 GFEDHM C=CCNc1ncc(C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819751685 607323976 /nfs/dbraw/zinc/32/39/76/607323976.db2.gz ZHSLYRDCCMTUKX-UHFFFAOYSA-N -1 3 383.481 2.974 20 30 GFEDHM CC(C)(C)OC(=O)N1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000735624318 598276410 /nfs/dbraw/zinc/27/64/10/598276410.db2.gz RZPAEYGKLVONLZ-UHFFFAOYSA-N -1 3 397.361 2.904 20 30 GFEDHM CC(C)(C)OC(=O)N1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000735624318 598276412 /nfs/dbraw/zinc/27/64/12/598276412.db2.gz RZPAEYGKLVONLZ-UHFFFAOYSA-N -1 3 397.361 2.904 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc(O)c1O ZINC000737043287 598314377 /nfs/dbraw/zinc/31/43/77/598314377.db2.gz HJADLSOCIAAFRX-UHFFFAOYSA-N -1 3 394.313 2.751 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc(O)c1O ZINC000737043287 598314379 /nfs/dbraw/zinc/31/43/79/598314379.db2.gz HJADLSOCIAAFRX-UHFFFAOYSA-N -1 3 394.313 2.751 20 30 GFEDHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000736504843 598382766 /nfs/dbraw/zinc/38/27/66/598382766.db2.gz HOLFWUKHSJDRTM-CQSZACIVSA-N -1 3 375.436 2.760 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735388335 598417757 /nfs/dbraw/zinc/41/77/57/598417757.db2.gz ZHVJDPBACMGSSD-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380011 598493754 /nfs/dbraw/zinc/49/37/54/598493754.db2.gz AXCSJZSOBUIMKA-UHFFFAOYSA-N -1 3 379.445 2.751 20 30 GFEDHM C#CCOc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380011 598493755 /nfs/dbraw/zinc/49/37/55/598493755.db2.gz AXCSJZSOBUIMKA-UHFFFAOYSA-N -1 3 379.445 2.751 20 30 GFEDHM C#CC[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735375984 598510576 /nfs/dbraw/zinc/51/05/76/598510576.db2.gz VPXQWCBOMAMDAX-KRWDZBQOSA-N -1 3 379.445 2.803 20 30 GFEDHM C#CC[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735375984 598510578 /nfs/dbraw/zinc/51/05/78/598510578.db2.gz VPXQWCBOMAMDAX-KRWDZBQOSA-N -1 3 379.445 2.803 20 30 GFEDHM N#Cc1nccnc1Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737730895 598602510 /nfs/dbraw/zinc/60/25/10/598602510.db2.gz OEOHDLKMURZPOU-UHFFFAOYSA-N -1 3 388.366 2.990 20 30 GFEDHM N#Cc1nccnc1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737730895 598602511 /nfs/dbraw/zinc/60/25/11/598602511.db2.gz OEOHDLKMURZPOU-UHFFFAOYSA-N -1 3 388.366 2.990 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735428747 598615473 /nfs/dbraw/zinc/61/54/73/598615473.db2.gz OFISDDJSRLGOTN-CYBMUJFWSA-N -1 3 396.426 2.687 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735428747 598615475 /nfs/dbraw/zinc/61/54/75/598615475.db2.gz OFISDDJSRLGOTN-CYBMUJFWSA-N -1 3 396.426 2.687 20 30 GFEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735689869 598685778 /nfs/dbraw/zinc/68/57/78/598685778.db2.gz DBWVMWALWQDJQG-LJQANCHMSA-N -1 3 377.408 2.722 20 30 GFEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735689869 598685779 /nfs/dbraw/zinc/68/57/79/598685779.db2.gz DBWVMWALWQDJQG-LJQANCHMSA-N -1 3 377.408 2.722 20 30 GFEDHM N#Cc1c(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cn2ccccc12 ZINC000737704516 598713996 /nfs/dbraw/zinc/71/39/96/598713996.db2.gz GXEPUZHKFHVXLV-UHFFFAOYSA-N -1 3 390.428 2.827 20 30 GFEDHM N#Cc1c(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cn2ccccc12 ZINC000737704516 598713998 /nfs/dbraw/zinc/71/39/98/598713998.db2.gz GXEPUZHKFHVXLV-UHFFFAOYSA-N -1 3 390.428 2.827 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821109717 599463941 /nfs/dbraw/zinc/46/39/41/599463941.db2.gz NEQCECOKCZWVFF-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821109717 599463943 /nfs/dbraw/zinc/46/39/43/599463943.db2.gz NEQCECOKCZWVFF-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM CCCCCCC[C@H](C)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821048661 599487054 /nfs/dbraw/zinc/48/70/54/599487054.db2.gz FFIFOEXNSMGYKH-ZDUSSCGKSA-N -1 3 380.518 2.923 20 30 GFEDHM CCCCCCC[C@H](C)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821048661 599487055 /nfs/dbraw/zinc/48/70/55/599487055.db2.gz FFIFOEXNSMGYKH-ZDUSSCGKSA-N -1 3 380.518 2.923 20 30 GFEDHM Cc1nc(SCC(=O)N(CC#N)C2CCCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000737485000 599552171 /nfs/dbraw/zinc/55/21/71/599552171.db2.gz XRCXQMXNZDVOLN-UHFFFAOYSA-N -1 3 385.497 2.574 20 30 GFEDHM Cc1nc(SCC(=O)N(CC#N)C2CCCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000737485000 599552173 /nfs/dbraw/zinc/55/21/73/599552173.db2.gz XRCXQMXNZDVOLN-UHFFFAOYSA-N -1 3 385.497 2.574 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000819744097 599682662 /nfs/dbraw/zinc/68/26/62/599682662.db2.gz WGTWQXJOEGFCOV-JXFKEZNVSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000819744097 599682663 /nfs/dbraw/zinc/68/26/63/599682663.db2.gz WGTWQXJOEGFCOV-JXFKEZNVSA-N -1 3 384.484 2.768 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000825626602 607392721 /nfs/dbraw/zinc/39/27/21/607392721.db2.gz NGCGYDHQCLVSMC-UHFFFAOYSA-N -1 3 389.419 2.948 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000825626602 607392723 /nfs/dbraw/zinc/39/27/23/607392723.db2.gz NGCGYDHQCLVSMC-UHFFFAOYSA-N -1 3 389.419 2.948 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1N1CCOCC1 ZINC000822922567 607460045 /nfs/dbraw/zinc/46/00/45/607460045.db2.gz HPNCEUIOUJGHBM-VOTSOKGWSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1N1CCOCC1 ZINC000822922567 607460047 /nfs/dbraw/zinc/46/00/47/607460047.db2.gz HPNCEUIOUJGHBM-VOTSOKGWSA-N -1 3 397.385 2.878 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)nnn1-c1ccccc1 ZINC000822015268 607460143 /nfs/dbraw/zinc/46/01/43/607460143.db2.gz GPIVOKRUWYMLRO-MDZDMXLPSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)nnn1-c1ccccc1 ZINC000822015268 607460144 /nfs/dbraw/zinc/46/01/44/607460144.db2.gz GPIVOKRUWYMLRO-MDZDMXLPSA-N -1 3 375.367 2.791 20 30 GFEDHM Clc1ccccc1C#CCN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826353251 607493560 /nfs/dbraw/zinc/49/35/60/607493560.db2.gz HSFRZOXSLUNQBF-UHFFFAOYSA-N -1 3 378.867 2.694 20 30 GFEDHM Clc1ccccc1C#CCN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826353251 607493561 /nfs/dbraw/zinc/49/35/61/607493561.db2.gz HSFRZOXSLUNQBF-UHFFFAOYSA-N -1 3 378.867 2.694 20 30 GFEDHM C#CCOc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000825625720 601731749 /nfs/dbraw/zinc/73/17/49/601731749.db2.gz MDMOYKIKJVAZAV-QHCPKHFHSA-N -1 3 392.455 2.548 20 30 GFEDHM Fc1ccc(C#CCN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826373300 607527319 /nfs/dbraw/zinc/52/73/19/607527319.db2.gz HKBAJDQBGYPQLB-UHFFFAOYSA-N -1 3 377.423 2.901 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000823909362 607536684 /nfs/dbraw/zinc/53/66/84/607536684.db2.gz AIQLUUVGRBBHDQ-LJQANCHMSA-N -1 3 375.432 2.695 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000823909362 607536685 /nfs/dbraw/zinc/53/66/85/607536685.db2.gz AIQLUUVGRBBHDQ-LJQANCHMSA-N -1 3 375.432 2.695 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1OCCc2ccccc21 ZINC000823909361 607536853 /nfs/dbraw/zinc/53/68/53/607536853.db2.gz AIQLUUVGRBBHDQ-IBGZPJMESA-N -1 3 375.432 2.695 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1OCCc2ccccc21 ZINC000823909361 607536855 /nfs/dbraw/zinc/53/68/55/607536855.db2.gz AIQLUUVGRBBHDQ-IBGZPJMESA-N -1 3 375.432 2.695 20 30 GFEDHM C[C@](CNC(=O)[O-])(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000824952257 604340642 /nfs/dbraw/zinc/34/06/42/604340642.db2.gz LSZMCBMGLUVDOB-LJQANCHMSA-N -1 3 390.509 2.853 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H](N3CCC4(C3)CCN(C(=O)[O-])CC4)C2=O)cc1 ZINC000833973344 605554725 /nfs/dbraw/zinc/55/47/25/605554725.db2.gz KBCYOZGJIPFDTN-SFHVURJKSA-N -1 3 382.464 2.520 20 30 GFEDHM C=CC1CCN(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)CC1 ZINC000823883332 607765860 /nfs/dbraw/zinc/76/58/60/607765860.db2.gz OQPWQGNXMUBIFJ-UHFFFAOYSA-N -1 3 385.428 2.865 20 30 GFEDHM C=CC1CCN(C(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)CC1 ZINC000823883332 607765861 /nfs/dbraw/zinc/76/58/61/607765861.db2.gz OQPWQGNXMUBIFJ-UHFFFAOYSA-N -1 3 385.428 2.865 20 30 GFEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000673732360 606107712 /nfs/dbraw/zinc/10/77/12/606107712.db2.gz HCFYJAYIFFFYFN-UHFFFAOYSA-N -1 3 387.403 2.870 20 30 GFEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000673732360 606107713 /nfs/dbraw/zinc/10/77/13/606107713.db2.gz HCFYJAYIFFFYFN-UHFFFAOYSA-N -1 3 387.403 2.870 20 30 GFEDHM CCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000821206323 606152021 /nfs/dbraw/zinc/15/20/21/606152021.db2.gz ANHANDYXCDZCBW-UHFFFAOYSA-N -1 3 378.396 2.821 20 30 GFEDHM CCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000821206323 606152022 /nfs/dbraw/zinc/15/20/22/606152022.db2.gz ANHANDYXCDZCBW-UHFFFAOYSA-N -1 3 378.396 2.821 20 30 GFEDHM CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000819781948 606394585 /nfs/dbraw/zinc/39/45/85/606394585.db2.gz FLAWXGUZVVYTIS-INIZCTEOSA-N -1 3 396.501 2.756 20 30 GFEDHM N#Cc1nc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)ccc1Cl ZINC000822845933 606465413 /nfs/dbraw/zinc/46/54/13/606465413.db2.gz JETLIYISDLQPAU-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM N#Cc1nc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)ccc1Cl ZINC000822845933 606465414 /nfs/dbraw/zinc/46/54/14/606465414.db2.gz JETLIYISDLQPAU-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM Cc1cc(C(N)=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1F ZINC000822191744 606594700 /nfs/dbraw/zinc/59/47/00/606594700.db2.gz PLGISCNHBFWLRB-UHFFFAOYSA-N -1 3 392.341 2.753 20 30 GFEDHM Cc1cc(C(N)=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1F ZINC000822191744 606594701 /nfs/dbraw/zinc/59/47/01/606594701.db2.gz PLGISCNHBFWLRB-UHFFFAOYSA-N -1 3 392.341 2.753 20 30 GFEDHM N#CC1(NC(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)CCCCC1 ZINC000822801750 606629587 /nfs/dbraw/zinc/62/95/87/606629587.db2.gz NVTOZIJKBWFYQN-UHFFFAOYSA-N -1 3 376.873 2.955 20 30 GFEDHM N#CC1(NC(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC000822801750 606629588 /nfs/dbraw/zinc/62/95/88/606629588.db2.gz NVTOZIJKBWFYQN-UHFFFAOYSA-N -1 3 376.873 2.955 20 30 GFEDHM CN(CCC#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000821598154 606642040 /nfs/dbraw/zinc/64/20/40/606642040.db2.gz SNZUIIHKEUHPDC-UHFFFAOYSA-N -1 3 395.398 2.962 20 30 GFEDHM CN(CCC#N)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000821598154 606642041 /nfs/dbraw/zinc/64/20/41/606642041.db2.gz SNZUIIHKEUHPDC-UHFFFAOYSA-N -1 3 395.398 2.962 20 30 GFEDHM N#Cc1cc(F)c(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c(F)c1 ZINC000822819402 606757330 /nfs/dbraw/zinc/75/73/30/606757330.db2.gz RTCREGGUQDKDGV-UHFFFAOYSA-N -1 3 380.314 2.626 20 30 GFEDHM N#Cc1cc(F)c(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c(F)c1 ZINC000822819402 606757331 /nfs/dbraw/zinc/75/73/31/606757331.db2.gz RTCREGGUQDKDGV-UHFFFAOYSA-N -1 3 380.314 2.626 20 30 GFEDHM CC(=NNc1ccncc1Cl)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819782530 606767218 /nfs/dbraw/zinc/76/72/18/606767218.db2.gz MTRFILMBPDIJAO-UHFFFAOYSA-N -1 3 393.842 2.667 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc(Cl)nc1 ZINC000819745681 606774883 /nfs/dbraw/zinc/77/48/83/606774883.db2.gz PDLJBAVOCPKIIP-UHFFFAOYSA-N -1 3 397.870 2.855 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccc(Cl)nc1 ZINC000819745681 606774884 /nfs/dbraw/zinc/77/48/84/606774884.db2.gz PDLJBAVOCPKIIP-UHFFFAOYSA-N -1 3 397.870 2.855 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819722402 606803947 /nfs/dbraw/zinc/80/39/47/606803947.db2.gz INFBXRGAQDVABM-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819722402 606803949 /nfs/dbraw/zinc/80/39/49/606803949.db2.gz INFBXRGAQDVABM-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819692959 606952376 /nfs/dbraw/zinc/95/23/76/606952376.db2.gz LFUQEUVEZOOYMB-UHFFFAOYSA-N -1 3 377.408 2.979 20 30 GFEDHM C#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819692959 606952378 /nfs/dbraw/zinc/95/23/78/606952378.db2.gz LFUQEUVEZOOYMB-UHFFFAOYSA-N -1 3 377.408 2.979 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822826033 607079628 /nfs/dbraw/zinc/07/96/28/607079628.db2.gz RXQIRRXMENNKNE-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822826033 607079629 /nfs/dbraw/zinc/07/96/29/607079629.db2.gz RXQIRRXMENNKNE-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM Cc1sc2ncn(N=Cc3c[nH]c4ccc(-c5nnn[n-]5)cc34)c(=O)c2c1C ZINC000822563409 607146109 /nfs/dbraw/zinc/14/61/09/607146109.db2.gz IAZNWNCWTOCGGO-UHFFFAOYSA-N -1 3 390.432 2.618 20 30 GFEDHM Cc1sc2ncn(N=Cc3c[nH]c4ccc(-c5nn[n-]n5)cc34)c(=O)c2c1C ZINC000822563409 607146111 /nfs/dbraw/zinc/14/61/11/607146111.db2.gz IAZNWNCWTOCGGO-UHFFFAOYSA-N -1 3 390.432 2.618 20 30 GFEDHM CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825615889 607872692 /nfs/dbraw/zinc/87/26/92/607872692.db2.gz OSOOJRMGOZSCMI-OAHLLOKOSA-N -1 3 385.811 2.903 20 30 GFEDHM CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825615889 607872693 /nfs/dbraw/zinc/87/26/93/607872693.db2.gz OSOOJRMGOZSCMI-OAHLLOKOSA-N -1 3 385.811 2.903 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823899626 607943732 /nfs/dbraw/zinc/94/37/32/607943732.db2.gz ZUICPQZCUQFZGS-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C[C@H](CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883205 607980760 /nfs/dbraw/zinc/98/07/60/607980760.db2.gz KSADPCFFLOWOLC-CQSZACIVSA-N -1 3 377.404 2.708 20 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C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000824737447 608275591 /nfs/dbraw/zinc/27/55/91/608275591.db2.gz HGZLKKDIPYXKGB-QWHCGFSZSA-N -1 3 383.433 2.621 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824178174 608452331 /nfs/dbraw/zinc/45/23/31/608452331.db2.gz NPTVGRYHTZRHIS-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824178174 608452333 /nfs/dbraw/zinc/45/23/33/608452333.db2.gz NPTVGRYHTZRHIS-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)cn2)c1-c1nnn[n-]1 ZINC000826234101 609168320 /nfs/dbraw/zinc/16/83/20/609168320.db2.gz IEWYTUBKQOYLHY-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)cn2)c1-c1nn[n-]n1 ZINC000826234101 609168322 /nfs/dbraw/zinc/16/83/22/609168322.db2.gz IEWYTUBKQOYLHY-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM N#Cc1cc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c[nH]1 ZINC000826383644 609216264 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Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2ccncc2)n1 ZINC000826359602 609274265 /nfs/dbraw/zinc/27/42/65/609274265.db2.gz LWVBAHHRGQUMTM-HWKANZROSA-N -1 3 375.367 2.697 20 30 GFEDHM N#Cc1ccc(F)c(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826385683 609279182 /nfs/dbraw/zinc/27/91/82/609279182.db2.gz WWSVFIAQXYOXCG-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM Cn1cc(C=NNc2ccc(Cl)nc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360487 609306689 /nfs/dbraw/zinc/30/66/89/609306689.db2.gz MCTUCXBRANJGKZ-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM Cn1cc(C=NNc2ccc(Cl)nc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360487 609306690 /nfs/dbraw/zinc/30/66/90/609306690.db2.gz MCTUCXBRANJGKZ-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM N#Cc1cc(F)c(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000826384337 609574962 /nfs/dbraw/zinc/57/49/62/609574962.db2.gz RBXSXFCIYARUOU-MRXNPFEDSA-N -1 3 395.373 2.624 20 30 GFEDHM N#Cc1cc(F)c(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000826384337 609574965 /nfs/dbraw/zinc/57/49/65/609574965.db2.gz RBXSXFCIYARUOU-MRXNPFEDSA-N -1 3 395.373 2.624 20 30 GFEDHM C=CCOCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823926032 609604526 /nfs/dbraw/zinc/60/45/26/609604526.db2.gz WPDIUTGFWUXJSL-UHFFFAOYSA-N -1 3 384.465 2.597 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000820482544 660295140 /nfs/dbraw/zinc/29/51/40/660295140.db2.gz MNVMMFZBLUAORO-LBPRGKRZSA-N -1 3 376.762 2.887 20 30 GFEDHM N#CCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000067950743 654950401 /nfs/dbraw/zinc/95/04/01/654950401.db2.gz CCSFJIOZEWKFLV-UHFFFAOYSA-N -1 3 381.797 2.629 20 30 GFEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000134665146 655000207 /nfs/dbraw/zinc/00/02/07/655000207.db2.gz RNLODPBLVAXVPI-UHFFFAOYSA-N -1 3 385.214 2.753 20 30 GFEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000194587668 655416386 /nfs/dbraw/zinc/41/63/86/655416386.db2.gz PWXFLRLGBNUXQJ-AWEZNQCLSA-N -1 3 375.837 2.999 20 30 GFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363853 655574941 /nfs/dbraw/zinc/57/49/41/655574941.db2.gz FTSJASDRTUCOLU-MGPLVRAMSA-N -1 3 383.242 2.754 20 30 GFEDHM Cc1ccc(Br)cc1NC(=O)C/N=C/c1c([O-])c(C)ncc1CO ZINC000749105460 655800479 /nfs/dbraw/zinc/80/04/79/655800479.db2.gz SZFARGNJWULIKO-FBCYGCLPSA-N -1 3 392.253 2.716 20 30 GFEDHM Cc1ccc(Cl)c(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000765181508 656135665 /nfs/dbraw/zinc/13/56/65/656135665.db2.gz HEWVRIAPXPKVIA-UHFFFAOYSA-N -1 3 377.853 2.634 20 30 GFEDHM O=S(=O)(NN=Cc1c(F)ccc([O-])c1F)c1ccc(Br)cc1 ZINC000794459951 658548583 /nfs/dbraw/zinc/54/85/83/658548583.db2.gz NSWKVWCMXYRSBG-UHFFFAOYSA-N -1 3 391.193 2.745 20 30 GFEDHM N#Cc1c(Cl)nsc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799327453 659181550 /nfs/dbraw/zinc/18/15/50/659181550.db2.gz UAINLEWJZICUPH-UHFFFAOYSA-N -1 3 395.268 2.851 20 30 GFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc2c(C)nn(C)c2s1 ZINC000807974882 659872317 /nfs/dbraw/zinc/87/23/17/659872317.db2.gz XHAWMBPSJWEJPT-UHFFFAOYSA-N -1 3 376.507 2.829 20 30 GFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cn2c(n1)COCC2 ZINC000860473156 662201969 /nfs/dbraw/zinc/20/19/69/662201969.db2.gz IYBKVGZEEDSDEZ-GFCCVEGCSA-N -1 3 379.203 2.681 20 30 GFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903093654 663772915 /nfs/dbraw/zinc/77/29/15/663772915.db2.gz KGUOPOGGRSVYDD-ZDUSSCGKSA-N -1 3 389.271 2.535 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cn1)c1nc(C(F)(F)F)cs1 ZINC000907006827 663991668 /nfs/dbraw/zinc/99/16/68/663991668.db2.gz IESFQRHXHWIYLY-VIFPVBQESA-N -1 3 376.385 2.858 20 30 GFEDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)o1 ZINC000907229658 664014342 /nfs/dbraw/zinc/01/43/42/664014342.db2.gz RHMOXNDBIIXBAM-UHFFFAOYSA-N -1 3 384.255 2.740 20 30 GFEDHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000922030952 664582144 /nfs/dbraw/zinc/58/21/44/664582144.db2.gz CDHOLJUYUQEIMI-UHFFFAOYSA-N -1 3 384.255 2.658 20 30 GFEDHM C#CCC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCOCC1 ZINC000925426826 664672059 /nfs/dbraw/zinc/67/20/59/664672059.db2.gz BRCMGMKRIAWJQB-UHFFFAOYSA-N -1 3 389.249 2.593 20 30 GFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000128739173 551351784 /nfs/dbraw/zinc/35/17/84/551351784.db2.gz APIQAJUYHPLIKO-UHFFFAOYSA-N -1 3 386.842 2.572 20 30 GFEDHM C#CCCCCNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000155948070 551511326 /nfs/dbraw/zinc/51/13/26/551511326.db2.gz ODLPYQZAPZMXGQ-UHFFFAOYSA-N -1 3 377.293 2.582 20 30 GFEDHM Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178528913 552171939 /nfs/dbraw/zinc/17/19/39/552171939.db2.gz WSWPKVZQRAOOPF-UHFFFAOYSA-N -1 3 388.221 2.590 20 30 GFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000180851453 552237801 /nfs/dbraw/zinc/23/78/01/552237801.db2.gz QBTUVCLAAHJQGD-LBPRGKRZSA-N -1 3 378.491 2.610 20 30 GFEDHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000184384452 552334584 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Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1F ZINC000373826224 563352705 /nfs/dbraw/zinc/35/27/05/563352705.db2.gz WXKGRDAIVHWVMY-HNNXBMFYSA-N -1 3 376.438 2.560 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)c(Cl)c1 ZINC000374264179 563366651 /nfs/dbraw/zinc/36/66/51/563366651.db2.gz JFRKTZFTMGHMSR-UHFFFAOYSA-N -1 3 382.898 2.615 20 30 GFEDHM CCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@H](C)c1ccc(C#N)cc1 ZINC000299129950 563375931 /nfs/dbraw/zinc/37/59/31/563375931.db2.gz JZWXJWCETHPLDN-CYBMUJFWSA-N -1 3 377.491 2.508 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCN(c2nccs2)CC1 ZINC000281572930 563380069 /nfs/dbraw/zinc/38/00/69/563380069.db2.gz PPEDNLZFDSXORW-UHFFFAOYSA-N -1 3 382.898 2.615 20 30 GFEDHM O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000282133789 563399151 /nfs/dbraw/zinc/39/91/51/563399151.db2.gz KKELXEMXMWHXQO-UHFFFAOYSA-N -1 3 376.228 2.774 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000425182207 563408872 /nfs/dbraw/zinc/40/88/72/563408872.db2.gz ZIKVIUOHNSIXKK-CABZTGNLSA-N -1 3 380.691 2.972 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C#N ZINC000330759059 563520148 /nfs/dbraw/zinc/52/01/48/563520148.db2.gz JZYPMOIGWBSVGT-KCJUWKMLSA-N -1 3 377.235 2.567 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(Br)ccn1 ZINC000432286313 563579215 /nfs/dbraw/zinc/57/92/15/563579215.db2.gz YHIWAEUMHGEVAV-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(-c3cccc(Cl)c3)no2)s1 ZINC000435428040 563649752 /nfs/dbraw/zinc/64/97/52/563649752.db2.gz OXAYFEVVQKSTOM-UHFFFAOYSA-N -1 3 394.865 2.844 20 30 GFEDHM CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432686 563650303 /nfs/dbraw/zinc/65/03/03/563650303.db2.gz OGJMNDNSUWZYDJ-AWEZNQCLSA-N -1 3 398.893 2.726 20 30 GFEDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000443055526 563789659 /nfs/dbraw/zinc/78/96/59/563789659.db2.gz YZEWFEOYFZZARM-UHFFFAOYSA-N -1 3 377.853 2.691 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000443365116 563803358 /nfs/dbraw/zinc/80/33/58/563803358.db2.gz IZAAKZHCLIYRGC-HNNXBMFYSA-N -1 3 379.844 2.908 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000444065895 563819855 /nfs/dbraw/zinc/81/98/55/563819855.db2.gz TXQFPSMESPVYCY-UHFFFAOYSA-N -1 3 396.328 2.664 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000416391592 563822686 /nfs/dbraw/zinc/82/26/86/563822686.db2.gz QSXMDJIAGJEMFB-UHFFFAOYSA-N -1 3 375.313 2.742 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)[C@@H](O)C(F)(F)F ZINC000444210458 563824194 /nfs/dbraw/zinc/82/41/94/563824194.db2.gz HNMOITQHOFEDSQ-WCBMZHEXSA-N -1 3 383.285 2.825 20 30 GFEDHM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1 ZINC000474099655 564265303 /nfs/dbraw/zinc/26/53/03/564265303.db2.gz VJALVSZFCZRCEW-UHFFFAOYSA-N -1 3 381.251 2.808 20 30 GFEDHM N#Cc1cccc(C#N)c1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000509521856 564303286 /nfs/dbraw/zinc/30/32/86/564303286.db2.gz HIEHRKWKCFHLNT-UHFFFAOYSA-N -1 3 378.816 2.613 20 30 GFEDHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475785818 564319898 /nfs/dbraw/zinc/31/98/98/564319898.db2.gz GHBQNOZYAYYSLW-KGLIPLIRSA-N -1 3 383.901 2.573 20 30 GFEDHM C=CCOCCCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477456320 564378047 /nfs/dbraw/zinc/37/80/47/564378047.db2.gz CESCOJQXBXORAD-UHFFFAOYSA-N -1 3 390.864 2.841 20 30 GFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000567720089 564385586 /nfs/dbraw/zinc/38/55/86/564385586.db2.gz WKVCNAUIDMAFFL-GZBFAFLISA-N -1 3 384.885 2.726 20 30 GFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000544710099 564395168 /nfs/dbraw/zinc/39/51/68/564395168.db2.gz SJJGQPKTLOUUTD-LLVKDONJSA-N -1 3 376.272 2.869 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000568702712 564430826 /nfs/dbraw/zinc/43/08/26/564430826.db2.gz BFDHVXUELQQPCO-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)cc1 ZINC000550434343 564624054 /nfs/dbraw/zinc/62/40/54/564624054.db2.gz VYGAZMYAKKRMTI-UHFFFAOYSA-N -1 3 395.278 2.850 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000489811495 564753299 /nfs/dbraw/zinc/75/32/99/564753299.db2.gz YRPWKVINYRQWBC-CYBMUJFWSA-N -1 3 377.293 2.984 20 30 GFEDHM CCc1ccc([C@H](C#N)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000489950026 564758716 /nfs/dbraw/zinc/75/87/16/564758716.db2.gz CSDOZVGADLXXPF-ZDUSSCGKSA-N -1 3 397.909 2.623 20 30 GFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CSc2ccc(C#N)cc2)c1 ZINC000461034874 564788246 /nfs/dbraw/zinc/78/82/46/564788246.db2.gz XCPPITMKFIHWHC-UHFFFAOYSA-N -1 3 375.475 2.969 20 30 GFEDHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000494460208 564830695 /nfs/dbraw/zinc/83/06/95/564830695.db2.gz WAXQXADEJFEBQB-UHFFFAOYSA-N -1 3 384.866 2.806 20 30 GFEDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000559640042 564938363 /nfs/dbraw/zinc/93/83/63/564938363.db2.gz UISSFGABFXXPOK-GFCCVEGCSA-N -1 3 396.310 2.959 20 30 GFEDHM C=CCCN(C)C(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000467143514 564956591 /nfs/dbraw/zinc/95/65/91/564956591.db2.gz ZCPPCSJNHGUFCN-UHFFFAOYSA-N -1 3 382.507 2.687 20 30 GFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)N1CCc2ccccc21 ZINC000503430647 565019232 /nfs/dbraw/zinc/01/92/32/565019232.db2.gz GPVNQCQOSWVDCE-ZDUSSCGKSA-N -1 3 375.881 2.941 20 30 GFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)N1CCc2ccccc21 ZINC000503430646 565019621 /nfs/dbraw/zinc/01/96/21/565019621.db2.gz GPVNQCQOSWVDCE-CYBMUJFWSA-N -1 3 375.881 2.941 20 30 GFEDHM C=C(C)CN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000685817816 565124731 /nfs/dbraw/zinc/12/47/31/565124731.db2.gz ZJNWOTILCVZGHD-UHFFFAOYSA-N -1 3 384.807 2.672 20 30 GFEDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588131860 565127285 /nfs/dbraw/zinc/12/72/85/565127285.db2.gz MGTFRKMVKNBWGP-UHFFFAOYSA-N -1 3 375.288 2.540 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)NCc1cccs1 ZINC000592081267 565253734 /nfs/dbraw/zinc/25/37/34/565253734.db2.gz ZSDULELOPADLEW-AWEZNQCLSA-N -1 3 397.909 2.646 20 30 GFEDHM COc1ccccc1N1CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593537949 565339545 /nfs/dbraw/zinc/33/95/45/565339545.db2.gz HYISMJORDQGYNM-UHFFFAOYSA-N -1 3 377.491 2.576 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000593568458 565343091 /nfs/dbraw/zinc/34/30/91/565343091.db2.gz HSMWORKVCMAWII-XJKSGUPXSA-N -1 3 383.445 2.622 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCCO1 ZINC000594489239 565396705 /nfs/dbraw/zinc/39/67/05/565396705.db2.gz XPWNKZPSIZQLHK-ZIAGYGMSSA-N -1 3 387.299 2.947 20 30 GFEDHM COC(=O)C1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCCC1 ZINC000594744855 565414272 /nfs/dbraw/zinc/41/42/72/565414272.db2.gz BVSFYXGNILPAOD-UHFFFAOYSA-N -1 3 378.475 2.846 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000594756830 565415279 /nfs/dbraw/zinc/41/52/79/565415279.db2.gz BJXXSFFNXLUUJV-LBPRGKRZSA-N -1 3 378.397 2.673 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)CO[C@@H]1CCOC1 ZINC000594763745 565416705 /nfs/dbraw/zinc/41/67/05/565416705.db2.gz ZXNTUZVFSMBTQR-BXUZGUMPSA-N -1 3 380.491 2.554 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCOCC1 ZINC000594847573 565429396 /nfs/dbraw/zinc/42/93/96/565429396.db2.gz ZILAEBXNXNISND-UHFFFAOYSA-N -1 3 385.283 2.724 20 30 GFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000601959330 565811120 /nfs/dbraw/zinc/81/11/20/565811120.db2.gz JUZXHSCNZCOIRH-INIZCTEOSA-N -1 3 381.454 2.937 20 30 GFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)s1 ZINC000610338656 566078566 /nfs/dbraw/zinc/07/85/66/566078566.db2.gz LYCQKMSENWUCPX-VXGBXAGGSA-N -1 3 377.491 2.856 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cccc(Br)c2F)CCOCC1 ZINC000657129535 566227485 /nfs/dbraw/zinc/22/74/85/566227485.db2.gz RYQWHLTXUFKJTC-UHFFFAOYSA-N -1 3 378.263 2.992 20 30 GFEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2sccc2C#N)c1C ZINC000737503251 598839343 /nfs/dbraw/zinc/83/93/43/598839343.db2.gz FSJXBSGFCGLUFU-UHFFFAOYSA-N -1 3 390.432 2.855 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000737520971 598858353 /nfs/dbraw/zinc/85/83/53/598858353.db2.gz GVSZKUXSGKJZHV-GFCCVEGCSA-N -1 3 399.418 2.505 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000737520971 598858354 /nfs/dbraw/zinc/85/83/54/598858354.db2.gz GVSZKUXSGKJZHV-GFCCVEGCSA-N -1 3 399.418 2.505 20 30 GFEDHM COc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC000737041117 598916196 /nfs/dbraw/zinc/91/61/96/598916196.db2.gz MBHJQAXAMFDXID-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM COc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC000737041117 598916199 /nfs/dbraw/zinc/91/61/99/598916199.db2.gz MBHJQAXAMFDXID-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1cccc(C)c1 ZINC000737381569 598916814 /nfs/dbraw/zinc/91/68/14/598916814.db2.gz KTKVGWHMYUZCCE-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1cccc(C)c1 ZINC000737381569 598916816 /nfs/dbraw/zinc/91/68/16/598916816.db2.gz KTKVGWHMYUZCCE-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737716537 598918674 /nfs/dbraw/zinc/91/86/74/598918674.db2.gz RLEOCDNSBXVJDV-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737716537 598918675 /nfs/dbraw/zinc/91/86/75/598918675.db2.gz RLEOCDNSBXVJDV-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737715642 598920270 /nfs/dbraw/zinc/92/02/70/598920270.db2.gz CQFKARPGIDHHJO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000737715642 598920272 /nfs/dbraw/zinc/92/02/72/598920272.db2.gz CQFKARPGIDHHJO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737117476 598922260 /nfs/dbraw/zinc/92/22/60/598922260.db2.gz WLGUHRZBDANPHC-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737117476 598922263 /nfs/dbraw/zinc/92/22/63/598922263.db2.gz WLGUHRZBDANPHC-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736236202 598928115 /nfs/dbraw/zinc/92/81/15/598928115.db2.gz REFIZAFGTKWKEA-GTNSWQLSSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736236202 598928116 /nfs/dbraw/zinc/92/81/16/598928116.db2.gz REFIZAFGTKWKEA-GTNSWQLSSA-N -1 3 387.403 2.585 20 30 GFEDHM N#Cc1cc(NC(=O)CCCOCCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737706057 598928701 /nfs/dbraw/zinc/92/87/01/598928701.db2.gz VNXKNZJNBNJHBF-UHFFFAOYSA-N -1 3 376.420 2.716 20 30 GFEDHM N#Cc1cc(NC(=O)CCCOCCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737706057 598928703 /nfs/dbraw/zinc/92/87/03/598928703.db2.gz VNXKNZJNBNJHBF-UHFFFAOYSA-N -1 3 376.420 2.716 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735963631 598932395 /nfs/dbraw/zinc/93/23/95/598932395.db2.gz IQZTYTXUNRPNQA-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735963631 598932396 /nfs/dbraw/zinc/93/23/96/598932396.db2.gz IQZTYTXUNRPNQA-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000735442453 598937820 /nfs/dbraw/zinc/93/78/20/598937820.db2.gz BTZWCAPKCGOUPV-UHFFFAOYSA-N -1 3 397.391 2.970 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735442453 598937821 /nfs/dbraw/zinc/93/78/21/598937821.db2.gz BTZWCAPKCGOUPV-UHFFFAOYSA-N -1 3 397.391 2.970 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735418937 598957771 /nfs/dbraw/zinc/95/77/71/598957771.db2.gz LXSPUZXENHKLKD-UHFFFAOYSA-N -1 3 375.498 2.932 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735418937 598957772 /nfs/dbraw/zinc/95/77/72/598957772.db2.gz LXSPUZXENHKLKD-UHFFFAOYSA-N -1 3 375.498 2.932 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736508388 598998500 /nfs/dbraw/zinc/99/85/00/598998500.db2.gz KZNVCBRXQBXALD-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736508388 598998502 /nfs/dbraw/zinc/99/85/02/598998502.db2.gz KZNVCBRXQBXALD-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1N1CCOCC1 ZINC000735451221 599032317 /nfs/dbraw/zinc/03/23/17/599032317.db2.gz UTKBMJPKRSBKCK-UHFFFAOYSA-N -1 3 381.415 2.679 20 30 GFEDHM O=C1C(=Cc2ccc(N3CCOCC3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503507 599117507 /nfs/dbraw/zinc/11/75/07/599117507.db2.gz GABHEFTVILPFAA-LGMDPLHJSA-N -1 3 387.443 2.916 20 30 GFEDHM O=C1C(=Cc2ccc(N3CCOCC3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503507 599117509 /nfs/dbraw/zinc/11/75/09/599117509.db2.gz GABHEFTVILPFAA-LGMDPLHJSA-N -1 3 387.443 2.916 20 30 GFEDHM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736330819 599151878 /nfs/dbraw/zinc/15/18/78/599151878.db2.gz ZMZFDYFCUFZOGV-BLLLJJGKSA-N -1 3 389.419 2.736 20 30 GFEDHM COc1ccc(C=CC(=O)c2nnn(-c3ccccc3)c2C)cc1-c1nnn[n-]1 ZINC000737080811 599155405 /nfs/dbraw/zinc/15/54/05/599155405.db2.gz HPEKYCVUUPPKKI-CSKARUKUSA-N -1 3 387.403 2.661 20 30 GFEDHM COc1ccc(C=CC(=O)c2nnn(-c3ccccc3)c2C)cc1-c1nn[n-]n1 ZINC000737080811 599155407 /nfs/dbraw/zinc/15/54/07/599155407.db2.gz HPEKYCVUUPPKKI-CSKARUKUSA-N -1 3 387.403 2.661 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2c(n1)onc2C(C)C ZINC000737236561 599199872 /nfs/dbraw/zinc/19/98/72/599199872.db2.gz NDACSCCNYGCXPX-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2c(n1)onc2C(C)C ZINC000737236561 599199875 /nfs/dbraw/zinc/19/98/75/599199875.db2.gz NDACSCCNYGCXPX-UHFFFAOYSA-N -1 3 388.391 2.959 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735375383 599228843 /nfs/dbraw/zinc/22/88/43/599228843.db2.gz YYDIZGXNVDCXQL-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735375383 599228847 /nfs/dbraw/zinc/22/88/47/599228847.db2.gz YYDIZGXNVDCXQL-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381355 598433894 /nfs/dbraw/zinc/43/38/94/598433894.db2.gz UFTOBCGNQWAXDU-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737066907 598476198 /nfs/dbraw/zinc/47/61/98/598476198.db2.gz XNFNZOIYAABDAW-UHFFFAOYSA-N -1 3 389.419 2.943 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737066907 598476199 /nfs/dbraw/zinc/47/61/99/598476199.db2.gz XNFNZOIYAABDAW-UHFFFAOYSA-N -1 3 389.419 2.943 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737058597 598476383 /nfs/dbraw/zinc/47/63/83/598476383.db2.gz NHOQITQZDBDOPE-UHFFFAOYSA-N -1 3 389.419 2.943 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737058597 598476385 /nfs/dbraw/zinc/47/63/85/598476385.db2.gz NHOQITQZDBDOPE-UHFFFAOYSA-N -1 3 389.419 2.943 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735430193 598554206 /nfs/dbraw/zinc/55/42/06/598554206.db2.gz YZEHJWQVOPGXHP-OAHLLOKOSA-N -1 3 392.463 2.857 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735430193 598554208 /nfs/dbraw/zinc/55/42/08/598554208.db2.gz YZEHJWQVOPGXHP-OAHLLOKOSA-N -1 3 392.463 2.857 20 30 GFEDHM N#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737675757 598591603 /nfs/dbraw/zinc/59/16/03/598591603.db2.gz RTVXLEJGCCRZDW-HNNXBMFYSA-N -1 3 386.337 2.809 20 30 GFEDHM N#C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737675757 598591605 /nfs/dbraw/zinc/59/16/05/598591605.db2.gz RTVXLEJGCCRZDW-HNNXBMFYSA-N -1 3 386.337 2.809 20 30 GFEDHM COCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737011510 598640907 /nfs/dbraw/zinc/64/09/07/598640907.db2.gz VJGBZUOXQGEZJA-JXMROGBWSA-N -1 3 393.447 2.844 20 30 GFEDHM COCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737011510 598640909 /nfs/dbraw/zinc/64/09/09/598640909.db2.gz VJGBZUOXQGEZJA-JXMROGBWSA-N -1 3 393.447 2.844 20 30 GFEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)cc2)nc1 ZINC000737720842 598660528 /nfs/dbraw/zinc/66/05/28/598660528.db2.gz AHFVTKYSWVCEPI-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)cc2)nc1 ZINC000737720842 598660530 /nfs/dbraw/zinc/66/05/30/598660530.db2.gz AHFVTKYSWVCEPI-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#C[C@@]1(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCSC1 ZINC000737677862 598669210 /nfs/dbraw/zinc/66/92/10/598669210.db2.gz DMUUMGHEBGBRLW-IBGZPJMESA-N -1 3 392.444 2.788 20 30 GFEDHM N#C[C@@]1(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCSC1 ZINC000737677862 598669212 /nfs/dbraw/zinc/66/92/12/598669212.db2.gz DMUUMGHEBGBRLW-IBGZPJMESA-N -1 3 392.444 2.788 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000735443485 598686598 /nfs/dbraw/zinc/68/65/98/598686598.db2.gz WTAQARWOZBXSLZ-UHFFFAOYSA-N -1 3 390.396 2.511 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)nc1 ZINC000735390262 598734396 /nfs/dbraw/zinc/73/43/96/598734396.db2.gz VUNHJELQZPUPFR-UHFFFAOYSA-N -1 3 387.428 2.543 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)nc1 ZINC000735390262 598734397 /nfs/dbraw/zinc/73/43/97/598734397.db2.gz VUNHJELQZPUPFR-UHFFFAOYSA-N -1 3 387.428 2.543 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)c1 ZINC000737731027 598797970 /nfs/dbraw/zinc/79/79/70/598797970.db2.gz VWWDQDIKGXGRRG-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1cccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)c1 ZINC000737731027 598797972 /nfs/dbraw/zinc/79/79/72/598797972.db2.gz VWWDQDIKGXGRRG-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2nnn[n-]2)ccc1OC ZINC000736308392 598822939 /nfs/dbraw/zinc/82/29/39/598822939.db2.gz DBQXQVQPOYXRCC-GFCCVEGCSA-N -1 3 398.448 2.548 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2nn[n-]n2)ccc1OC ZINC000736308392 598822940 /nfs/dbraw/zinc/82/29/40/598822940.db2.gz DBQXQVQPOYXRCC-GFCCVEGCSA-N -1 3 398.448 2.548 20 30 GFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000819759267 599370271 /nfs/dbraw/zinc/37/02/71/599370271.db2.gz RGTDNDWWJCQHFX-UHFFFAOYSA-N -1 3 392.824 2.853 20 30 GFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000819759267 599370273 /nfs/dbraw/zinc/37/02/73/599370273.db2.gz RGTDNDWWJCQHFX-UHFFFAOYSA-N -1 3 392.824 2.853 20 30 GFEDHM C#CCN1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)CC1 ZINC000736080775 599799310 /nfs/dbraw/zinc/79/93/10/599799310.db2.gz XPWZXZUEJLWUHA-UHFFFAOYSA-N -1 3 384.354 2.610 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000826243411 607399230 /nfs/dbraw/zinc/39/92/30/607399230.db2.gz HQPLVOCRVNQECZ-HNNXBMFYSA-N -1 3 380.795 2.790 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737369910 600385607 /nfs/dbraw/zinc/38/56/07/600385607.db2.gz MJWCHXUMQNBVBA-UHFFFAOYSA-N -1 3 384.411 2.991 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(C#N)c(C)c1C ZINC000826327340 607440953 /nfs/dbraw/zinc/44/09/53/607440953.db2.gz DFBHDUVURPNDRJ-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(C#N)c(C)c1C ZINC000826327340 607440955 /nfs/dbraw/zinc/44/09/55/607440955.db2.gz DFBHDUVURPNDRJ-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000822923772 607460869 /nfs/dbraw/zinc/46/08/69/607460869.db2.gz UEPAXGBFLOYHGK-VMPITWQZSA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000822923772 607460871 /nfs/dbraw/zinc/46/08/71/607460871.db2.gz UEPAXGBFLOYHGK-VMPITWQZSA-N -1 3 379.351 2.859 20 30 GFEDHM CCOc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821422348 607463401 /nfs/dbraw/zinc/46/34/01/607463401.db2.gz UXKYERLXRAYBQH-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM CCOc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821422348 607463402 /nfs/dbraw/zinc/46/34/02/607463402.db2.gz UXKYERLXRAYBQH-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352008 602547289 /nfs/dbraw/zinc/54/72/89/602547289.db2.gz SVMIOHKIGPKLSJ-KBPBESRZSA-N -1 3 386.477 2.937 20 30 GFEDHM CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352021 602547339 /nfs/dbraw/zinc/54/73/39/602547339.db2.gz SVMIOHKIGPKLSJ-ZIAGYGMSSA-N -1 3 386.477 2.937 20 30 GFEDHM COc1ccc(C=Nn2c(C)csc2=Nc2ccccn2)cc1-c1nnn[n-]1 ZINC000826190522 607634074 /nfs/dbraw/zinc/63/40/74/607634074.db2.gz DTFNJQGGGIQTRB-UHFFFAOYSA-N -1 3 392.448 2.556 20 30 GFEDHM COc1ccc(C=Nn2c(C)csc2=Nc2ccccn2)cc1-c1nn[n-]n1 ZINC000826190522 607634075 /nfs/dbraw/zinc/63/40/75/607634075.db2.gz DTFNJQGGGIQTRB-UHFFFAOYSA-N -1 3 392.448 2.556 20 30 GFEDHM N#C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000822801927 606169651 /nfs/dbraw/zinc/16/96/51/606169651.db2.gz RKIOCBRNCCAXAM-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000822801927 606169652 /nfs/dbraw/zinc/16/96/52/606169652.db2.gz RKIOCBRNCCAXAM-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000820550000 606182788 /nfs/dbraw/zinc/18/27/88/606182788.db2.gz ULHCSMGYOVETOP-ZBFHGGJFSA-N -1 3 377.404 2.560 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000820550000 606182789 /nfs/dbraw/zinc/18/27/89/606182789.db2.gz ULHCSMGYOVETOP-ZBFHGGJFSA-N -1 3 377.404 2.560 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000821620493 606302200 /nfs/dbraw/zinc/30/22/00/606302200.db2.gz LPOPLOWMYDFIGZ-CTBHOMQYSA-N -1 3 394.485 2.843 20 30 GFEDHM CN1CC(=Cc2cc(C#N)cs2)C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000821620493 606302202 /nfs/dbraw/zinc/30/22/02/606302202.db2.gz LPOPLOWMYDFIGZ-CTBHOMQYSA-N -1 3 394.485 2.843 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822801549 606440881 /nfs/dbraw/zinc/44/08/81/606440881.db2.gz KNMJNINYIZRSEQ-RBUKOAKNSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822801549 606440882 /nfs/dbraw/zinc/44/08/82/606440882.db2.gz KNMJNINYIZRSEQ-RBUKOAKNSA-N -1 3 387.447 2.848 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1cccc(C#N)c1 ZINC000821390532 606495189 /nfs/dbraw/zinc/49/51/89/606495189.db2.gz YOTRDAAJIAFYEJ-UHFFFAOYSA-N -1 3 383.795 2.939 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cc1cccc(C#N)c1 ZINC000821390532 606495190 /nfs/dbraw/zinc/49/51/90/606495190.db2.gz YOTRDAAJIAFYEJ-UHFFFAOYSA-N -1 3 383.795 2.939 20 30 GFEDHM CCNc1ccc(C#N)cc1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821309294 606599907 /nfs/dbraw/zinc/59/99/07/606599907.db2.gz LZVBYXSVIYFZFR-UHFFFAOYSA-N -1 3 396.842 2.874 20 30 GFEDHM CCNc1ccc(C#N)cc1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821309294 606599906 /nfs/dbraw/zinc/59/99/06/606599906.db2.gz LZVBYXSVIYFZFR-UHFFFAOYSA-N -1 3 396.842 2.874 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000819744199 606602495 /nfs/dbraw/zinc/60/24/95/606602495.db2.gz ZTMRLEDKPRLNKA-ZWKOTPCHSA-N -1 3 384.484 2.625 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000819744199 606602496 /nfs/dbraw/zinc/60/24/96/606602496.db2.gz ZTMRLEDKPRLNKA-ZWKOTPCHSA-N -1 3 384.484 2.625 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000819744198 606602559 /nfs/dbraw/zinc/60/25/59/606602559.db2.gz ZTMRLEDKPRLNKA-ROUUACIJSA-N -1 3 384.484 2.625 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000819744198 606602561 /nfs/dbraw/zinc/60/25/61/606602561.db2.gz ZTMRLEDKPRLNKA-ROUUACIJSA-N -1 3 384.484 2.625 20 30 GFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821703109 606666584 /nfs/dbraw/zinc/66/65/84/606666584.db2.gz PFIMEBOFLKVMEN-UHFFFAOYSA-N -1 3 391.721 2.898 20 30 GFEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821703109 606666585 /nfs/dbraw/zinc/66/65/85/606666585.db2.gz PFIMEBOFLKVMEN-UHFFFAOYSA-N -1 3 391.721 2.898 20 30 GFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820379322 606771533 /nfs/dbraw/zinc/77/15/33/606771533.db2.gz AITBCKMOXAPILH-NSHDSACASA-N -1 3 381.371 2.791 20 30 GFEDHM C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820379322 606771535 /nfs/dbraw/zinc/77/15/35/606771535.db2.gz AITBCKMOXAPILH-NSHDSACASA-N -1 3 381.371 2.791 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccn(-c2ccccc2)n1 ZINC000819743113 606786858 /nfs/dbraw/zinc/78/68/58/606786858.db2.gz CTGUUKGVLMHQPG-UHFFFAOYSA-N -1 3 399.458 2.810 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccn(-c2ccccc2)n1 ZINC000819743113 606786860 /nfs/dbraw/zinc/78/68/60/606786860.db2.gz CTGUUKGVLMHQPG-UHFFFAOYSA-N -1 3 399.458 2.810 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000821342815 607008190 /nfs/dbraw/zinc/00/81/90/607008190.db2.gz IMMGYRSWAGKYQW-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000821342815 607008191 /nfs/dbraw/zinc/00/81/91/607008191.db2.gz IMMGYRSWAGKYQW-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822819193 607032183 /nfs/dbraw/zinc/03/21/83/607032183.db2.gz MIXGJDZLEDPCAG-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822819193 607032185 /nfs/dbraw/zinc/03/21/85/607032185.db2.gz MIXGJDZLEDPCAG-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822540975 607076219 /nfs/dbraw/zinc/07/62/19/607076219.db2.gz IZJAVHBPLKNWNV-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822540975 607076221 /nfs/dbraw/zinc/07/62/21/607076221.db2.gz IZJAVHBPLKNWNV-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM C#CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)s1 ZINC000823837939 607816416 /nfs/dbraw/zinc/81/64/16/607816416.db2.gz IZFZHYXMRSLPJJ-UHFFFAOYSA-N -1 3 378.339 2.505 20 30 GFEDHM C#CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)s1 ZINC000823837939 607816417 /nfs/dbraw/zinc/81/64/17/607816417.db2.gz IZFZHYXMRSLPJJ-UHFFFAOYSA-N -1 3 378.339 2.505 20 30 GFEDHM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000825272154 607882576 /nfs/dbraw/zinc/88/25/76/607882576.db2.gz XCFJKOAXIAVMNM-LJQANCHMSA-N -1 3 383.456 2.872 20 30 GFEDHM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000825272154 607882577 /nfs/dbraw/zinc/88/25/77/607882577.db2.gz XCFJKOAXIAVMNM-LJQANCHMSA-N -1 3 383.456 2.872 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000823856086 607893683 /nfs/dbraw/zinc/89/36/83/607893683.db2.gz HUPCKMLPGOBESF-UHFFFAOYSA-N -1 3 391.431 2.733 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000823856086 607893684 /nfs/dbraw/zinc/89/36/84/607893684.db2.gz HUPCKMLPGOBESF-UHFFFAOYSA-N -1 3 391.431 2.733 20 30 GFEDHM C=C(C)[C@H](CC(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)OCC ZINC000823874453 607920336 /nfs/dbraw/zinc/92/03/36/607920336.db2.gz XDEYMEAXNXVHNP-KRWDZBQOSA-N -1 3 396.451 2.775 20 30 GFEDHM C=C[C@H](CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC000823883543 607981110 /nfs/dbraw/zinc/98/11/10/607981110.db2.gz SZBFPTSGDNMTCQ-QGZVFWFLSA-N -1 3 388.475 2.875 20 30 GFEDHM C=C[C@H](CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC000823883543 607981111 /nfs/dbraw/zinc/98/11/11/607981111.db2.gz SZBFPTSGDNMTCQ-QGZVFWFLSA-N -1 3 388.475 2.875 20 30 GFEDHM N#Cc1ccc(OCCCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826386069 608071185 /nfs/dbraw/zinc/07/11/85/608071185.db2.gz NSUGVJXLSLWZKT-HXUWFJFHSA-N -1 3 390.447 2.581 20 30 GFEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000823932423 608138483 /nfs/dbraw/zinc/13/84/83/608138483.db2.gz XSIZDQXWCGAICV-UHFFFAOYSA-N -1 3 395.419 2.709 20 30 GFEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000823932423 608138484 /nfs/dbraw/zinc/13/84/84/608138484.db2.gz XSIZDQXWCGAICV-UHFFFAOYSA-N -1 3 395.419 2.709 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CCO2)c1 ZINC000826386542 608302817 /nfs/dbraw/zinc/30/28/17/608302817.db2.gz JGKYTDRJERHWFX-IBGZPJMESA-N -1 3 387.447 2.590 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CCO2)c1 ZINC000826386542 608302819 /nfs/dbraw/zinc/30/28/19/608302819.db2.gz JGKYTDRJERHWFX-IBGZPJMESA-N -1 3 387.447 2.590 20 30 GFEDHM COc1cccc(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000826215230 608527525 /nfs/dbraw/zinc/52/75/25/608527525.db2.gz JQBGNIOJDYITPX-SRZZPIQSSA-N -1 3 394.435 2.785 20 30 GFEDHM COc1cccc(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000826215230 608527526 /nfs/dbraw/zinc/52/75/26/608527526.db2.gz JQBGNIOJDYITPX-SRZZPIQSSA-N -1 3 394.435 2.785 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCOc1ccc(F)cc1Cl ZINC000826383627 608752519 /nfs/dbraw/zinc/75/25/19/608752519.db2.gz JJMTXFKDZVQRJS-UHFFFAOYSA-N -1 3 391.819 2.679 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCOc1ccc(F)cc1Cl ZINC000826383627 608752521 /nfs/dbraw/zinc/75/25/21/608752521.db2.gz JJMTXFKDZVQRJS-UHFFFAOYSA-N -1 3 391.819 2.679 20 30 GFEDHM C=CCOCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823925883 609157606 /nfs/dbraw/zinc/15/76/06/609157606.db2.gz PYVQNOVRODDSBE-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM C=CCOCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823925883 609157607 /nfs/dbraw/zinc/15/76/07/609157607.db2.gz PYVQNOVRODDSBE-UHFFFAOYSA-N -1 3 380.408 2.983 20 30 GFEDHM Cn1cc(C=NNCCc2ccccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360034 609306520 /nfs/dbraw/zinc/30/65/20/609306520.db2.gz VTXQCZCIFRBCMG-UHFFFAOYSA-N -1 3 390.426 2.573 20 30 GFEDHM Cn1cc(C=NNCCc2ccccc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360034 609306522 /nfs/dbraw/zinc/30/65/22/609306522.db2.gz VTXQCZCIFRBCMG-UHFFFAOYSA-N -1 3 390.426 2.573 20 30 GFEDHM Cn1cc(C=C2C(=O)c3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359779 609308368 /nfs/dbraw/zinc/30/83/68/609308368.db2.gz QCNTYYZXVFSMBZ-UHFFFAOYSA-N -1 3 382.383 2.730 20 30 GFEDHM Cn1cc(C=C2C(=O)c3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359779 609308370 /nfs/dbraw/zinc/30/83/70/609308370.db2.gz QCNTYYZXVFSMBZ-UHFFFAOYSA-N -1 3 382.383 2.730 20 30 GFEDHM C#CCOc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823861986 609319526 /nfs/dbraw/zinc/31/95/26/609319526.db2.gz WHXALDLIPKKXAA-UHFFFAOYSA-N -1 3 389.394 2.816 20 30 GFEDHM CC(C)(C#N)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824059249 609377360 /nfs/dbraw/zinc/37/73/60/609377360.db2.gz QKIVYUHVFQFGFG-UHFFFAOYSA-N -1 3 382.453 2.585 20 30 GFEDHM CC(C)(C#N)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824059249 609377361 /nfs/dbraw/zinc/37/73/61/609377361.db2.gz QKIVYUHVFQFGFG-UHFFFAOYSA-N -1 3 382.453 2.585 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)c1 ZINC000826386442 609435827 /nfs/dbraw/zinc/43/58/27/609435827.db2.gz FAPIYDBASJGTMS-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)c1 ZINC000826386442 609435829 /nfs/dbraw/zinc/43/58/29/609435829.db2.gz FAPIYDBASJGTMS-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM CCOc1ccc(C=NOCCOc2ccccc2-c2nnn[n-]2)cc1OC ZINC000825637912 609466728 /nfs/dbraw/zinc/46/67/28/609466728.db2.gz BFHVGVKKHMMJSC-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM CCOc1ccc(C=NOCCOc2ccccc2-c2nn[n-]n2)cc1OC ZINC000825637912 609466729 /nfs/dbraw/zinc/46/67/29/609466729.db2.gz BFHVGVKKHMMJSC-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM Clc1cc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)ccc1-c1nn[n-]n1 ZINC000826351386 609473913 /nfs/dbraw/zinc/47/39/13/609473913.db2.gz KPCSKCNCZBBSHY-UHFFFAOYSA-N -1 3 383.843 2.803 20 30 GFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCCOc1cccc(C#N)c1 ZINC000826162211 609485996 /nfs/dbraw/zinc/48/59/96/609485996.db2.gz SDIRVEFYCYSKJU-UHFFFAOYSA-N -1 3 394.435 2.645 20 30 GFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCCOc1cccc(C#N)c1 ZINC000826162211 609485997 /nfs/dbraw/zinc/48/59/97/609485997.db2.gz SDIRVEFYCYSKJU-UHFFFAOYSA-N -1 3 394.435 2.645 20 30 GFEDHM C[C@@H](Nc1ccccc1O[C@@H](C)C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824035220 609504101 /nfs/dbraw/zinc/50/41/01/609504101.db2.gz UPESJMINLIKVIA-QWHCGFSZSA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@@H](Nc1ccccc1O[C@@H](C)C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824035220 609504102 /nfs/dbraw/zinc/50/41/02/609504102.db2.gz UPESJMINLIKVIA-QWHCGFSZSA-N -1 3 377.408 2.597 20 30 GFEDHM Cc1c(Cl)cnc(N2CCCN(c3ccccc3C#N)CC2)c1-c1nnn[n-]1 ZINC000826237751 609534493 /nfs/dbraw/zinc/53/44/93/609534493.db2.gz KJQKZUPOWIDULV-UHFFFAOYSA-N -1 3 394.870 2.812 20 30 GFEDHM Cc1c(Cl)cnc(N2CCCN(c3ccccc3C#N)CC2)c1-c1nn[n-]n1 ZINC000826237751 609534494 /nfs/dbraw/zinc/53/44/94/609534494.db2.gz KJQKZUPOWIDULV-UHFFFAOYSA-N -1 3 394.870 2.812 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823861751 609559542 /nfs/dbraw/zinc/55/95/42/609559542.db2.gz QQYYGIVNXAUHGY-UHFFFAOYSA-N -1 3 383.415 2.619 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823861751 609559543 /nfs/dbraw/zinc/55/95/43/609559543.db2.gz QQYYGIVNXAUHGY-UHFFFAOYSA-N -1 3 383.415 2.619 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824738971 609616002 /nfs/dbraw/zinc/61/60/02/609616002.db2.gz SVTSWRZUBDINDW-NSHDSACASA-N -1 3 383.795 2.902 20 30 GFEDHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(C)n1-c1cccc(Br)c1 ZINC000820185014 660284326 /nfs/dbraw/zinc/28/43/26/660284326.db2.gz HERZFXYXTXEXAE-OAHLLOKOSA-N -1 3 392.253 2.577 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CSC)CC2)ccc1F ZINC000834372204 660816972 /nfs/dbraw/zinc/81/69/72/660816972.db2.gz QZBIIPDJQDXQJW-UHFFFAOYSA-N -1 3 386.514 2.505 20 30 GFEDHM Cc1oc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1S(N)(=O)=O ZINC000268148580 654960797 /nfs/dbraw/zinc/96/07/97/654960797.db2.gz RCIKDEMICFYZEV-JTQLQIEISA-N -1 3 379.463 2.740 20 30 GFEDHM N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(Cl)c1 ZINC000269004414 654995072 /nfs/dbraw/zinc/99/50/72/654995072.db2.gz YYRCMCLYXNOKIF-UHFFFAOYSA-N -1 3 378.841 2.577 20 30 GFEDHM C#C[C@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000754365843 655866852 /nfs/dbraw/zinc/86/68/52/655866852.db2.gz BSGZYCKXWOTMKX-SECBINFHSA-N -1 3 375.277 2.576 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000755131796 655879994 /nfs/dbraw/zinc/87/99/94/655879994.db2.gz JUPOXPLJDLROMT-MNOVXSKESA-N -1 3 378.675 2.562 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(C)c(C)s2)ccc1F ZINC000756374541 655898956 /nfs/dbraw/zinc/89/89/56/655898956.db2.gz UHQOHHXNVYHTHJ-UHFFFAOYSA-N -1 3 384.454 2.720 20 30 GFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ncc(Br)cc1F ZINC000777432916 656823502 /nfs/dbraw/zinc/82/35/02/656823502.db2.gz PWVIAWJTSYTTOP-UHFFFAOYSA-N -1 3 386.246 2.827 20 30 GFEDHM O=C([N-]CC(F)(F)F)[C@H]1CCN(Cc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000778238523 656871200 /nfs/dbraw/zinc/87/12/00/656871200.db2.gz XORNJNYBLZVVLI-LURJTMIESA-N -1 3 376.247 2.883 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@@H]1CCCO1 ZINC000790280253 657946763 /nfs/dbraw/zinc/94/67/63/657946763.db2.gz VFKKHYVFBASHPL-MNOVXSKESA-N -1 3 378.675 2.562 20 30 GFEDHM C#C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1F ZINC000812200722 660021208 /nfs/dbraw/zinc/02/12/08/660021208.db2.gz HCPXAZNDLYPWOU-JTQLQIEISA-N -1 3 375.713 2.790 20 30 GFEDHM C=C[C@H](C)O[N-]C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000846544585 661555776 /nfs/dbraw/zinc/55/57/76/661555776.db2.gz HTTAPDXIQPGJOV-NSHDSACASA-N -1 3 376.272 2.625 20 30 GFEDHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc(C#N)cc2)c(C)c1Cl ZINC000849415925 661719839 /nfs/dbraw/zinc/71/98/39/661719839.db2.gz IDLLYNBRMDRPRR-UHFFFAOYSA-N -1 3 398.893 2.889 20 30 GFEDHM CCCCCCCNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000862359852 662282294 /nfs/dbraw/zinc/28/22/94/662282294.db2.gz RSDKDPJVLJLBGC-CYBMUJFWSA-N -1 3 375.922 2.879 20 30 GFEDHM Cn1ncc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c1Br ZINC000866997109 662515387 /nfs/dbraw/zinc/51/53/87/662515387.db2.gz HBEWSAIZWWIHOD-LBPRGKRZSA-N -1 3 383.271 2.506 20 30 GFEDHM C[C@H](C(=O)[N-]CC(F)(F)F)[S@@](=O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000912939755 664311110 /nfs/dbraw/zinc/31/11/10/664311110.db2.gz QHBDFYHXMRNIRP-XRCMBVPNSA-N -1 3 383.260 2.698 20 30 GFEDHM Cc1ncc(CO)c(/C=N/Cc2cc3c(c(Br)c2)OCO3)c1[O-] ZINC000920480604 664526661 /nfs/dbraw/zinc/52/66/61/664526661.db2.gz KSMBEMPBRSTJLR-NGYBGAFCSA-N -1 3 379.210 2.698 20 30 GFEDHM C#CCN1CCC([N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000921437536 664548532 /nfs/dbraw/zinc/54/85/32/664548532.db2.gz ACGWOFGAYIDMLC-UHFFFAOYSA-N -1 3 397.747 2.540 20 30 GFEDHM CC[C@H](NCc1c(I)cnn1C)c1cccc(C#N)c1[O-] ZINC000926814680 664696916 /nfs/dbraw/zinc/69/69/16/664696916.db2.gz WTZRLHOAMMYPRL-ZDUSSCGKSA-N -1 3 396.232 2.843 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)s2)s1 ZINC000230350190 553064744 /nfs/dbraw/zinc/06/47/44/553064744.db2.gz HILMFJDOCRJKJO-UHFFFAOYSA-N -1 3 377.310 2.965 20 30 GFEDHM CC(C)(C)[C@@H](C#N)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000122109438 551294555 /nfs/dbraw/zinc/29/45/55/551294555.db2.gz MMARXAYVERTBJD-GFCCVEGCSA-N -1 3 392.308 2.716 20 30 GFEDHM N#Cc1cnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 ZINC000128723445 551351543 /nfs/dbraw/zinc/35/15/43/551351543.db2.gz VYDXHHAWJINPIO-UHFFFAOYSA-N -1 3 377.278 2.712 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000156325458 551519972 /nfs/dbraw/zinc/51/99/72/551519972.db2.gz QKIFVLIKQMCKHB-UWVGGRQHSA-N -1 3 377.344 2.866 20 30 GFEDHM COc1ccc(OC)c(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000178520039 552172037 /nfs/dbraw/zinc/17/20/37/552172037.db2.gz YALWYVQGUNOXJY-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000183427792 552309183 /nfs/dbraw/zinc/30/91/83/552309183.db2.gz OYVQEQUXKFNHEW-UHFFFAOYSA-N -1 3 380.813 2.510 20 30 GFEDHM CC[C@@H](CC#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000183864815 552321066 /nfs/dbraw/zinc/32/10/66/552321066.db2.gz SAZNLCPTUAHQCG-JTQLQIEISA-N -1 3 395.200 2.555 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)C1 ZINC000295874286 563266381 /nfs/dbraw/zinc/26/63/81/563266381.db2.gz ZAYBPJFQCOOYAP-GWCFXTLKSA-N -1 3 385.283 2.745 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000280497458 563340547 /nfs/dbraw/zinc/34/05/47/563340547.db2.gz BRZDNMPKSQTXLC-NHYWBVRUSA-N -1 3 390.299 2.717 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000425177661 563407991 /nfs/dbraw/zinc/40/79/91/563407991.db2.gz HUDYYIQEHJNWJH-CABZTGNLSA-N -1 3 380.691 2.972 20 30 GFEDHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428225412 563485661 /nfs/dbraw/zinc/48/56/61/563485661.db2.gz FDNBYJUPLCLRPS-LLVKDONJSA-N -1 3 380.267 2.625 20 30 GFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000429882892 563527082 /nfs/dbraw/zinc/52/70/82/563527082.db2.gz YXVQJMDLHDHYRR-UHFFFAOYSA-N -1 3 376.306 2.873 20 30 GFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000433882969 563622618 /nfs/dbraw/zinc/62/26/18/563622618.db2.gz CAGPHTJZEMMKPM-UHFFFAOYSA-N -1 3 386.296 2.873 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000435597263 563654191 /nfs/dbraw/zinc/65/41/91/563654191.db2.gz KTSQPJOPBXRVCY-HZMBPMFUSA-N -1 3 378.263 2.848 20 30 GFEDHM C=CCCCS(=O)(=O)[N-]Cc1noc(-c2cccc(Br)c2)n1 ZINC000292158184 563776507 /nfs/dbraw/zinc/77/65/07/563776507.db2.gz CNWXPQPWDQWLJE-UHFFFAOYSA-N -1 3 386.271 2.885 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)C1 ZINC000443082634 563791124 /nfs/dbraw/zinc/79/11/24/563791124.db2.gz AMJNHQXSRWKDMT-QGZVFWFLSA-N -1 3 375.881 2.764 20 30 GFEDHM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC2 ZINC000443508193 563807317 /nfs/dbraw/zinc/80/73/17/563807317.db2.gz ILTORNHPJVNEIK-CYBMUJFWSA-N -1 3 378.885 2.825 20 30 GFEDHM CCOCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416439095 563828538 /nfs/dbraw/zinc/82/85/38/563828538.db2.gz BPSCTWGNQJEBOF-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccc(Cl)cc3F)n2)s1 ZINC000367184059 563834804 /nfs/dbraw/zinc/83/48/04/563834804.db2.gz DXZCWPCHYFOQEZ-UHFFFAOYSA-N -1 3 398.828 2.941 20 30 GFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)CC(C)C ZINC000416647766 563857648 /nfs/dbraw/zinc/85/76/48/563857648.db2.gz NGTYZFIIYUPJAR-LLVKDONJSA-N -1 3 375.288 2.660 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000563526728 564195582 /nfs/dbraw/zinc/19/55/82/564195582.db2.gz PIXDCZQAYIDQOX-SNVBAGLBSA-N -1 3 375.313 2.742 20 30 GFEDHM N#C[C@@]1([N-]S(=O)(=O)c2cncc(Br)c2)CCc2ccccc2C1 ZINC000471932579 564208007 /nfs/dbraw/zinc/20/80/07/564208007.db2.gz HKPOJMBIIQPMQV-MRXNPFEDSA-N -1 3 392.278 2.574 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000563864641 564211068 /nfs/dbraw/zinc/21/10/68/564211068.db2.gz AZRNJMBAHQRWCA-UHFFFAOYSA-N -1 3 382.239 2.665 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000508088315 564253594 /nfs/dbraw/zinc/25/35/94/564253594.db2.gz ZSXQSDVGSBWUIE-ZDUSSCGKSA-N -1 3 377.329 2.904 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CC(=O)c2ccccc21 ZINC000550435922 564624188 /nfs/dbraw/zinc/62/41/88/564624188.db2.gz WATOAQAPNLFHFV-CQSZACIVSA-N -1 3 391.246 2.927 20 30 GFEDHM N#Cc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1Br ZINC000487900642 564699051 /nfs/dbraw/zinc/69/90/51/564699051.db2.gz UMOQTNHMLIOVGE-UHFFFAOYSA-N -1 3 389.135 2.779 20 30 GFEDHM N#Cc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1Br ZINC000487900642 564699054 /nfs/dbraw/zinc/69/90/54/564699054.db2.gz UMOQTNHMLIOVGE-UHFFFAOYSA-N -1 3 389.135 2.779 20 30 GFEDHM N#Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Br ZINC000487900642 564699059 /nfs/dbraw/zinc/69/90/59/564699059.db2.gz UMOQTNHMLIOVGE-UHFFFAOYSA-N -1 3 389.135 2.779 20 30 GFEDHM CCOC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC1 ZINC000555414714 564792822 /nfs/dbraw/zinc/79/28/22/564792822.db2.gz DCYANNRRCJTVLP-UHFFFAOYSA-N -1 3 387.299 2.948 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000582862108 564865652 /nfs/dbraw/zinc/86/56/52/564865652.db2.gz HKLJACHPWYPJAX-UHFFFAOYSA-N -1 3 381.273 2.555 20 30 GFEDHM C=CCCC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000583353096 564887305 /nfs/dbraw/zinc/88/73/05/564887305.db2.gz BCICORUXGXZHNN-LBPRGKRZSA-N -1 3 378.416 2.845 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000531302576 564906308 /nfs/dbraw/zinc/90/63/08/564906308.db2.gz IDSALIMXNTWQNN-UHFFFAOYSA-N -1 3 375.841 2.901 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000531302576 564906316 /nfs/dbraw/zinc/90/63/16/564906316.db2.gz IDSALIMXNTWQNN-UHFFFAOYSA-N -1 3 375.841 2.901 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCOc2c(Br)cccc21 ZINC000499738186 564935002 /nfs/dbraw/zinc/93/50/02/564935002.db2.gz JUGSHXPAGZTNND-GFCCVEGCSA-N -1 3 394.250 2.518 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1 ZINC000532767321 564945232 /nfs/dbraw/zinc/94/52/32/564945232.db2.gz PUUZGIAUQAKHIW-LBPRGKRZSA-N -1 3 386.926 2.935 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000503450706 565020455 /nfs/dbraw/zinc/02/04/55/565020455.db2.gz UWKPWTHLLIJDIH-UHFFFAOYSA-N -1 3 398.271 2.573 20 30 GFEDHM COc1cc(Br)ccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588131806 565128185 /nfs/dbraw/zinc/12/81/85/565128185.db2.gz AQJVCSQYHVIDIT-SECBINFHSA-N -1 3 385.239 2.962 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1cccnc1 ZINC000589126221 565151807 /nfs/dbraw/zinc/15/18/07/565151807.db2.gz GUFKEUCIKCTXJV-VIFPVBQESA-N -1 3 384.230 2.894 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NCc1cccs1 ZINC000592079714 565254266 /nfs/dbraw/zinc/25/42/66/565254266.db2.gz DYNVRJFURVLJAC-AWEZNQCLSA-N -1 3 397.909 2.646 20 30 GFEDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC000618715741 565313093 /nfs/dbraw/zinc/31/30/93/565313093.db2.gz JKFDWDHXTWSIAA-CQSZACIVSA-N -1 3 376.459 2.681 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000593529229 565338007 /nfs/dbraw/zinc/33/80/07/565338007.db2.gz MEZBNZWEDBBKLT-UHFFFAOYSA-N -1 3 375.475 2.837 20 30 GFEDHM COc1ccc(C2([N-]S(=O)(=O)c3ccsc3C#N)CCOCC2)cc1 ZINC000593549188 565340415 /nfs/dbraw/zinc/34/04/15/565340415.db2.gz RSSPOAIBOAFTGN-UHFFFAOYSA-N -1 3 378.475 2.613 20 30 GFEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)OC ZINC000619506533 565346086 /nfs/dbraw/zinc/34/60/86/565346086.db2.gz XYILOLNCORNOCX-GFCCVEGCSA-N -1 3 396.292 2.633 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1(C(N)=O)CCCCC1 ZINC000594751773 565414117 /nfs/dbraw/zinc/41/41/17/565414117.db2.gz AUEGIUOFWKUHLR-UHFFFAOYSA-N -1 3 377.491 2.548 20 30 GFEDHM Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC000594859728 565431658 /nfs/dbraw/zinc/43/16/58/565431658.db2.gz IPBDTCOGNVKLGV-HOCLYGCPSA-N -1 3 378.885 2.635 20 30 GFEDHM COc1ccsc1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599468045 565681976 /nfs/dbraw/zinc/68/19/76/565681976.db2.gz WWDATUSREKGRIF-UHFFFAOYSA-N -1 3 378.475 2.613 20 30 GFEDHM C=CCOCCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000679578879 566046263 /nfs/dbraw/zinc/04/62/63/566046263.db2.gz XYNQSFGAFBQEJL-UHFFFAOYSA-N -1 3 386.539 2.682 20 30 GFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000657006096 566204178 /nfs/dbraw/zinc/20/41/78/566204178.db2.gz CQDRGHMAQJNQKI-CYBMUJFWSA-N -1 3 392.315 2.843 20 30 GFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCc1cccnc1 ZINC000819718846 607252387 /nfs/dbraw/zinc/25/23/87/607252387.db2.gz SXYKKWWHWZCPIU-UHFFFAOYSA-N -1 3 385.431 2.964 20 30 GFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCc1cccnc1 ZINC000819718846 607252388 /nfs/dbraw/zinc/25/23/88/607252388.db2.gz SXYKKWWHWZCPIU-UHFFFAOYSA-N -1 3 385.431 2.964 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000737674333 598826399 /nfs/dbraw/zinc/82/63/99/598826399.db2.gz JDSXPGQXEYUJJV-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000737674333 598826400 /nfs/dbraw/zinc/82/64/00/598826400.db2.gz JDSXPGQXEYUJJV-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccccc2Br)cc1-c1nnn[n-]1 ZINC000737716927 598925484 /nfs/dbraw/zinc/92/54/84/598925484.db2.gz XAHVSCGBCSIPDS-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccccc2Br)cc1-c1nn[n-]n1 ZINC000737716927 598925485 /nfs/dbraw/zinc/92/54/85/598925485.db2.gz XAHVSCGBCSIPDS-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1-c1nnn[n-]1 ZINC000737718145 598927296 /nfs/dbraw/zinc/92/72/96/598927296.db2.gz FTBHCADAPYUZBU-UHFFFAOYSA-N -1 3 380.318 2.805 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1-c1nn[n-]n1 ZINC000737718145 598927297 /nfs/dbraw/zinc/92/72/97/598927297.db2.gz FTBHCADAPYUZBU-UHFFFAOYSA-N -1 3 380.318 2.805 20 30 GFEDHM COc1ccc(CN=Nc2ncnc3sc(C)c(C)c32)cc1-c1nnn[n-]1 ZINC000737082339 599126668 /nfs/dbraw/zinc/12/66/68/599126668.db2.gz IFSCCAFKSRWROK-UHFFFAOYSA-N -1 3 380.437 2.943 20 30 GFEDHM COc1ccc(CN=Nc2ncnc3sc(C)c(C)c32)cc1-c1nn[n-]n1 ZINC000737082339 599126671 /nfs/dbraw/zinc/12/66/71/599126671.db2.gz IFSCCAFKSRWROK-UHFFFAOYSA-N -1 3 380.437 2.943 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820031592 599170682 /nfs/dbraw/zinc/17/06/82/599170682.db2.gz GHKDILVVLKSBKS-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820031592 599170684 /nfs/dbraw/zinc/17/06/84/599170684.db2.gz GHKDILVVLKSBKS-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM N#Cc1ccc(NC(=S)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737718349 599176679 /nfs/dbraw/zinc/17/66/79/599176679.db2.gz IAIVSUSRMRCAOM-UHFFFAOYSA-N -1 3 399.867 2.757 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)nn(CC)c1Cl ZINC000735420125 599183880 /nfs/dbraw/zinc/18/38/80/599183880.db2.gz MQCCYOJKKRTFBM-UHFFFAOYSA-N -1 3 385.859 2.873 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)nn(CC)c1Cl ZINC000735420125 599183883 /nfs/dbraw/zinc/18/38/83/599183883.db2.gz MQCCYOJKKRTFBM-UHFFFAOYSA-N -1 3 385.859 2.873 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737729969 599195148 /nfs/dbraw/zinc/19/51/48/599195148.db2.gz BDGCOSTUKLOGIH-UHFFFAOYSA-N -1 3 387.403 2.798 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737729969 599195150 /nfs/dbraw/zinc/19/51/50/599195150.db2.gz BDGCOSTUKLOGIH-UHFFFAOYSA-N -1 3 387.403 2.798 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735374488 599227527 /nfs/dbraw/zinc/22/75/27/599227527.db2.gz JKEIAANVMRSOCL-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735374488 599227531 /nfs/dbraw/zinc/22/75/31/599227531.db2.gz JKEIAANVMRSOCL-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737697480 599242508 /nfs/dbraw/zinc/24/25/08/599242508.db2.gz HLPJKXDCRKHPLX-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737697480 599242509 /nfs/dbraw/zinc/24/25/09/599242509.db2.gz HLPJKXDCRKHPLX-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cc(C)c(C)s1 ZINC000823914454 608300855 /nfs/dbraw/zinc/30/08/55/608300855.db2.gz JBXJJLXHWJZWER-UHFFFAOYSA-N -1 3 389.506 2.922 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cc(C)c(C)s1 ZINC000823914454 608300857 /nfs/dbraw/zinc/30/08/57/608300857.db2.gz JBXJJLXHWJZWER-UHFFFAOYSA-N -1 3 389.506 2.922 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736487861 599276620 /nfs/dbraw/zinc/27/66/20/599276620.db2.gz JCPRUCMGUIKJPI-CYBMUJFWSA-N -1 3 391.435 2.966 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736487861 599276622 /nfs/dbraw/zinc/27/66/22/599276622.db2.gz JCPRUCMGUIKJPI-CYBMUJFWSA-N -1 3 391.435 2.966 20 30 GFEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000735450627 599285222 /nfs/dbraw/zinc/28/52/22/599285222.db2.gz BMZCLDDJFQFDDG-IBGZPJMESA-N -1 3 377.452 2.556 20 30 GFEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000735450627 599285223 /nfs/dbraw/zinc/28/52/23/599285223.db2.gz BMZCLDDJFQFDDG-IBGZPJMESA-N -1 3 377.452 2.556 20 30 GFEDHM Cc1cc2c(c(Br)c1)NC(=O)C2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000737231333 599285719 /nfs/dbraw/zinc/28/57/19/599285719.db2.gz OBASOVSGNPWDOD-UHFFFAOYSA-N -1 3 398.224 2.706 20 30 GFEDHM Cc1cc2c(c(Br)c1)NC(=O)C2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000737231333 599285721 /nfs/dbraw/zinc/28/57/21/599285721.db2.gz OBASOVSGNPWDOD-UHFFFAOYSA-N -1 3 398.224 2.706 20 30 GFEDHM N#CC1(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CCCCC1 ZINC000737675138 598238721 /nfs/dbraw/zinc/23/87/21/598238721.db2.gz NESFJGOMGCCHSP-UHFFFAOYSA-N -1 3 380.452 2.711 20 30 GFEDHM N#CC1(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCCCC1 ZINC000737675138 598238722 /nfs/dbraw/zinc/23/87/22/598238722.db2.gz NESFJGOMGCCHSP-UHFFFAOYSA-N -1 3 380.452 2.711 20 30 GFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000735661008 598315484 /nfs/dbraw/zinc/31/54/84/598315484.db2.gz GZBFUOVZKVICSW-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000735661008 598315486 /nfs/dbraw/zinc/31/54/86/598315486.db2.gz GZBFUOVZKVICSW-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736514383 598330340 /nfs/dbraw/zinc/33/03/40/598330340.db2.gz XSZDICBIAGLVNU-ZDUSSCGKSA-N -1 3 380.408 2.660 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736514383 598330341 /nfs/dbraw/zinc/33/03/41/598330341.db2.gz XSZDICBIAGLVNU-ZDUSSCGKSA-N -1 3 380.408 2.660 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737687408 598385900 /nfs/dbraw/zinc/38/59/00/598385900.db2.gz RQIWLBYJPRNVRR-UHFFFAOYSA-N -1 3 377.408 2.516 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737687408 598385901 /nfs/dbraw/zinc/38/59/01/598385901.db2.gz RQIWLBYJPRNVRR-UHFFFAOYSA-N -1 3 377.408 2.516 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735874601 598427282 /nfs/dbraw/zinc/42/72/82/598427282.db2.gz RPSCCDFXGKFVJO-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735874601 598427284 /nfs/dbraw/zinc/42/72/84/598427284.db2.gz RPSCCDFXGKFVJO-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735757170 598549057 /nfs/dbraw/zinc/54/90/57/598549057.db2.gz UKPPIOOTBXCNNQ-AWEZNQCLSA-N -1 3 380.408 2.707 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000737674089 598591445 /nfs/dbraw/zinc/59/14/45/598591445.db2.gz GFGMALLYUOKFMO-NSHDSACASA-N -1 3 378.339 2.942 20 30 GFEDHM N#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000737674089 598591447 /nfs/dbraw/zinc/59/14/47/598591447.db2.gz GFGMALLYUOKFMO-NSHDSACASA-N -1 3 378.339 2.942 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1cccc(F)c1 ZINC000735426740 598594699 /nfs/dbraw/zinc/59/46/99/598594699.db2.gz VJCIQEXDHNTCGV-UHFFFAOYSA-N -1 3 387.440 2.524 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1cccc(F)c1 ZINC000735426740 598594700 /nfs/dbraw/zinc/59/47/00/598594700.db2.gz VJCIQEXDHNTCGV-UHFFFAOYSA-N -1 3 387.440 2.524 20 30 GFEDHM CCCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736446536 598635507 /nfs/dbraw/zinc/63/55/07/598635507.db2.gz CZBWISDUVXMNQG-UHFFFAOYSA-N -1 3 376.436 2.811 20 30 GFEDHM CCCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736446536 598635508 /nfs/dbraw/zinc/63/55/08/598635508.db2.gz CZBWISDUVXMNQG-UHFFFAOYSA-N -1 3 376.436 2.811 20 30 GFEDHM N#Cc1cn(Cc2cc(-c3nnn[n-]3)ccc2F)c2ccc(Cl)cc2c1=O ZINC000737728743 598721435 /nfs/dbraw/zinc/72/14/35/598721435.db2.gz UXUDXKQKSKWTGE-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cn(Cc2cc(-c3nn[n-]n3)ccc2F)c2ccc(Cl)cc2c1=O ZINC000737728743 598721437 /nfs/dbraw/zinc/72/14/37/598721437.db2.gz UXUDXKQKSKWTGE-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737722632 598756353 /nfs/dbraw/zinc/75/63/53/598756353.db2.gz XGOSXWXUMVHCTD-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000737722632 598756354 /nfs/dbraw/zinc/75/63/54/598756354.db2.gz XGOSXWXUMVHCTD-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735419756 598757283 /nfs/dbraw/zinc/75/72/83/598757283.db2.gz ZRZYXNXSIMYEPM-UHFFFAOYSA-N -1 3 379.461 2.763 20 30 GFEDHM N#Cc1cc(Cl)ccc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737704539 598793579 /nfs/dbraw/zinc/79/35/79/598793579.db2.gz JURCBLWUVOVXMU-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1cc(Cl)ccc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737704539 598793580 /nfs/dbraw/zinc/79/35/80/598793580.db2.gz JURCBLWUVOVXMU-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)o1 ZINC000822825666 599311982 /nfs/dbraw/zinc/31/19/82/599311982.db2.gz KUOPYVKYUCHMAJ-NTUHNPAUSA-N -1 3 380.414 2.737 20 30 GFEDHM N#Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)o1 ZINC000822825666 599311984 /nfs/dbraw/zinc/31/19/84/599311984.db2.gz KUOPYVKYUCHMAJ-NTUHNPAUSA-N -1 3 380.414 2.737 20 30 GFEDHM CCOc1ccccc1C=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821430627 599381756 /nfs/dbraw/zinc/38/17/56/599381756.db2.gz AOAXAYMXJPFQSN-UHFFFAOYSA-N -1 3 391.391 2.866 20 30 GFEDHM CCOc1ccccc1C=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821430627 599381759 /nfs/dbraw/zinc/38/17/59/599381759.db2.gz AOAXAYMXJPFQSN-UHFFFAOYSA-N -1 3 391.391 2.866 20 30 GFEDHM O=C(C=NOCc1ccc(-c2nnn[n-]2)cc1F)Nc1ccc(F)cc1Cl ZINC000822935919 599390300 /nfs/dbraw/zinc/39/03/00/599390300.db2.gz PWHXLGYWHDIZJK-UHFFFAOYSA-N -1 3 392.753 2.939 20 30 GFEDHM O=C(C=NOCc1ccc(-c2nn[n-]n2)cc1F)Nc1ccc(F)cc1Cl ZINC000822935919 599390302 /nfs/dbraw/zinc/39/03/02/599390302.db2.gz PWHXLGYWHDIZJK-UHFFFAOYSA-N -1 3 392.753 2.939 20 30 GFEDHM N#CCN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CCCC1 ZINC000737692085 599590029 /nfs/dbraw/zinc/59/00/29/599590029.db2.gz BNNVJHVOJSOGFW-UHFFFAOYSA-N -1 3 399.524 2.904 20 30 GFEDHM N#CCN(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CCCC1 ZINC000737692085 599590032 /nfs/dbraw/zinc/59/00/32/599590032.db2.gz BNNVJHVOJSOGFW-UHFFFAOYSA-N -1 3 399.524 2.904 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1sc(C)nc1C ZINC000819745683 599676902 /nfs/dbraw/zinc/67/69/02/599676902.db2.gz PETCFOGZIVZJLE-UHFFFAOYSA-N -1 3 383.481 2.838 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1sc(C)nc1C ZINC000819745683 599676903 /nfs/dbraw/zinc/67/69/03/599676903.db2.gz PETCFOGZIVZJLE-UHFFFAOYSA-N -1 3 383.481 2.838 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000819744099 599682688 /nfs/dbraw/zinc/68/26/88/599682688.db2.gz WGTWQXJOEGFCOV-OXQOHEQNSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000819744099 599682689 /nfs/dbraw/zinc/68/26/89/599682689.db2.gz WGTWQXJOEGFCOV-OXQOHEQNSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000819745695 599693416 /nfs/dbraw/zinc/69/34/16/599693416.db2.gz PUYCCYXYXXMWOD-UHFFFAOYSA-N -1 3 388.382 2.548 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000819745695 599693417 /nfs/dbraw/zinc/69/34/17/599693417.db2.gz PUYCCYXYXXMWOD-UHFFFAOYSA-N -1 3 388.382 2.548 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000820161667 607398732 /nfs/dbraw/zinc/39/87/32/607398732.db2.gz ZLKNCEYTSACRIR-CYBMUJFWSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000820161667 607398734 /nfs/dbraw/zinc/39/87/34/607398734.db2.gz ZLKNCEYTSACRIR-CYBMUJFWSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820159940 607401394 /nfs/dbraw/zinc/40/13/94/607401394.db2.gz BVESQRCXWAJZJY-CYBMUJFWSA-N -1 3 392.419 2.932 20 30 GFEDHM N#Cc1ccc(OC2CCN(C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000739129011 600104002 /nfs/dbraw/zinc/10/40/02/600104002.db2.gz OIWYJMQJOUYDKH-GOSISDBHSA-N -1 3 396.443 2.540 20 30 GFEDHM CN(CC(=O)[O-])C(=O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000737403083 600160197 /nfs/dbraw/zinc/16/01/97/600160197.db2.gz SMGPJBRRXRYZQY-UHFFFAOYSA-N -1 3 383.423 2.633 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820159822 607440302 /nfs/dbraw/zinc/44/03/02/607440302.db2.gz ABWZSMLFZCXBHM-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820159822 607440304 /nfs/dbraw/zinc/44/03/04/607440304.db2.gz ABWZSMLFZCXBHM-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000825817776 607440322 /nfs/dbraw/zinc/44/03/22/607440322.db2.gz OYNQOTYKDYKEEY-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM CN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000825817776 607440324 /nfs/dbraw/zinc/44/03/24/607440324.db2.gz OYNQOTYKDYKEEY-UHFFFAOYSA-N -1 3 376.420 2.950 20 30 GFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736663543 600594547 /nfs/dbraw/zinc/59/45/47/600594547.db2.gz ZUAYRFNYQBVNGL-SPLOXXLWSA-N -1 3 393.443 2.692 20 30 GFEDHM N#Cc1c2c(sc1NC(=O)CCN1CCCC[C@@H]1CNC(=O)[O-])CCC2 ZINC000740310467 602378253 /nfs/dbraw/zinc/37/82/53/602378253.db2.gz GTFVVXRUSRSFER-GFCCVEGCSA-N -1 3 376.482 2.559 20 30 GFEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1C#N ZINC000826300711 607601034 /nfs/dbraw/zinc/60/10/34/607601034.db2.gz FHXLJLATZKNEAC-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1C#N ZINC000826300711 607601036 /nfs/dbraw/zinc/60/10/36/607601036.db2.gz FHXLJLATZKNEAC-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM N#Cc1c(NC(=O)CCN2CCC[C@H]2CNC(=O)[O-])sc2c1CCCCC2 ZINC000831114701 604069731 /nfs/dbraw/zinc/06/97/31/604069731.db2.gz RKPKLIMVVNVWEU-ZDUSSCGKSA-N -1 3 390.509 2.949 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823919366 607675041 /nfs/dbraw/zinc/67/50/41/607675041.db2.gz DJIQREJJHOSIOZ-UHFFFAOYSA-N -1 3 378.392 2.912 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823919366 607675042 /nfs/dbraw/zinc/67/50/42/607675042.db2.gz DJIQREJJHOSIOZ-UHFFFAOYSA-N -1 3 378.392 2.912 20 30 GFEDHM C=CCC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823894480 607677983 /nfs/dbraw/zinc/67/79/83/607677983.db2.gz RGSKQWIODPRXDU-INIZCTEOSA-N -1 3 387.440 2.992 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000826379879 607722539 /nfs/dbraw/zinc/72/25/39/607722539.db2.gz FYULZXHSMSQZSV-LJQANCHMSA-N -1 3 399.414 2.768 20 30 GFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000826379879 607722541 /nfs/dbraw/zinc/72/25/41/607722541.db2.gz FYULZXHSMSQZSV-LJQANCHMSA-N -1 3 399.414 2.768 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C#N ZINC000825545776 607761406 /nfs/dbraw/zinc/76/14/06/607761406.db2.gz WTRXYZKEKIRZFD-UHFFFAOYSA-N -1 3 391.391 2.868 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C#N ZINC000825545776 607761407 /nfs/dbraw/zinc/76/14/07/607761407.db2.gz WTRXYZKEKIRZFD-UHFFFAOYSA-N -1 3 391.391 2.868 20 30 GFEDHM N#Cc1ccccc1N1CCC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000822842408 606112468 /nfs/dbraw/zinc/11/24/68/606112468.db2.gz HFWOXZJKYAPUJE-KTKRTIGZSA-N -1 3 399.458 2.537 20 30 GFEDHM N#Cc1ccccc1N1CCC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000822842408 606112471 /nfs/dbraw/zinc/11/24/71/606112471.db2.gz HFWOXZJKYAPUJE-KTKRTIGZSA-N -1 3 399.458 2.537 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000819745381 606143213 /nfs/dbraw/zinc/14/32/13/606143213.db2.gz AHRFYZZJFYREEQ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cc(C)cc(F)c1 ZINC000819745381 606143214 /nfs/dbraw/zinc/14/32/14/606143214.db2.gz AHRFYZZJFYREEQ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822801822 606299850 /nfs/dbraw/zinc/29/98/50/606299850.db2.gz PDOXKZJMUAZVBX-KXBFYZLASA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822801822 606299852 /nfs/dbraw/zinc/29/98/52/606299852.db2.gz PDOXKZJMUAZVBX-KXBFYZLASA-N -1 3 388.431 2.868 20 30 GFEDHM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822166971 606301189 /nfs/dbraw/zinc/30/11/89/606301189.db2.gz AGLNHNZYMQYWQX-QAPCUYQASA-N -1 3 375.436 2.696 20 30 GFEDHM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821077314 606407521 /nfs/dbraw/zinc/40/75/21/606407521.db2.gz AELZGSURDMQBDW-MRXNPFEDSA-N -1 3 391.435 2.509 20 30 GFEDHM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821077314 606407522 /nfs/dbraw/zinc/40/75/22/606407522.db2.gz AELZGSURDMQBDW-MRXNPFEDSA-N -1 3 391.435 2.509 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822801657 606445439 /nfs/dbraw/zinc/44/54/39/606445439.db2.gz LQVODTDOPHUEPG-OALUTQOASA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1Br ZINC000822801831 606572216 /nfs/dbraw/zinc/57/22/16/606572216.db2.gz PEXBFCCZZIKKSC-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1Br ZINC000822801831 606572218 /nfs/dbraw/zinc/57/22/18/606572218.db2.gz PEXBFCCZZIKKSC-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cc2ccccc2o1 ZINC000819745876 606634163 /nfs/dbraw/zinc/63/41/63/606634163.db2.gz SNTBXSOKZCJQQD-UHFFFAOYSA-N -1 3 395.444 2.990 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cc2ccccc2o1 ZINC000819745876 606634164 /nfs/dbraw/zinc/63/41/64/606634164.db2.gz SNTBXSOKZCJQQD-UHFFFAOYSA-N -1 3 395.444 2.990 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(F)ccc(F)c1OC ZINC000819745386 606674792 /nfs/dbraw/zinc/67/47/92/606674792.db2.gz ALCJBIFEONPBFS-UHFFFAOYSA-N -1 3 385.374 2.982 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(F)ccc(F)c1OC ZINC000819745386 606674793 /nfs/dbraw/zinc/67/47/93/606674793.db2.gz ALCJBIFEONPBFS-UHFFFAOYSA-N -1 3 385.374 2.982 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1nc(C)c(C)s1 ZINC000819745574 606967223 /nfs/dbraw/zinc/96/72/23/606967223.db2.gz KMGIBASEIKNGAQ-UHFFFAOYSA-N -1 3 397.508 2.880 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1nc(C)c(C)s1 ZINC000819745574 606967225 /nfs/dbraw/zinc/96/72/25/606967225.db2.gz KMGIBASEIKNGAQ-UHFFFAOYSA-N -1 3 397.508 2.880 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)cc2F)cc1-c1nnn[n-]1 ZINC000821720915 607150672 /nfs/dbraw/zinc/15/06/72/607150672.db2.gz ZWJRKUBSLLCARS-XQRVVYSFSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)cc2F)cc1-c1nn[n-]n1 ZINC000821720915 607150674 /nfs/dbraw/zinc/15/06/74/607150674.db2.gz ZWJRKUBSLLCARS-XQRVVYSFSA-N -1 3 384.367 2.928 20 30 GFEDHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000819817423 607237851 /nfs/dbraw/zinc/23/78/51/607237851.db2.gz GAVVQMRIFVSPAA-UHFFFAOYSA-N -1 3 381.783 2.602 20 30 GFEDHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000819817423 607237852 /nfs/dbraw/zinc/23/78/52/607237852.db2.gz GAVVQMRIFVSPAA-UHFFFAOYSA-N -1 3 381.783 2.602 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883278 607980645 /nfs/dbraw/zinc/98/06/45/607980645.db2.gz NBVZVHVVPAXYFU-IFXJQAMLSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883278 607980646 /nfs/dbraw/zinc/98/06/46/607980646.db2.gz NBVZVHVVPAXYFU-IFXJQAMLSA-N -1 3 392.415 2.984 20 30 GFEDHM N#Cc1c(Cl)nsc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826383116 608189978 /nfs/dbraw/zinc/18/99/78/608189978.db2.gz KXDSBHJFGFKEHC-UHFFFAOYSA-N -1 3 386.872 2.929 20 30 GFEDHM N#Cc1c(Cl)nsc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826383116 608189979 /nfs/dbraw/zinc/18/99/79/608189979.db2.gz KXDSBHJFGFKEHC-UHFFFAOYSA-N -1 3 386.872 2.929 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000823910122 608273433 /nfs/dbraw/zinc/27/34/33/608273433.db2.gz XTQXYMVXXAAWMF-GOSISDBHSA-N -1 3 381.411 2.644 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000823910122 608273435 /nfs/dbraw/zinc/27/34/35/608273435.db2.gz XTQXYMVXXAAWMF-GOSISDBHSA-N -1 3 381.411 2.644 20 30 GFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823920124 608326101 /nfs/dbraw/zinc/32/61/01/608326101.db2.gz XRHVHSVVVFAKNJ-UHFFFAOYSA-N -1 3 387.440 2.524 20 30 GFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823920124 608326103 /nfs/dbraw/zinc/32/61/03/608326103.db2.gz XRHVHSVVVFAKNJ-UHFFFAOYSA-N -1 3 387.440 2.524 20 30 GFEDHM N#C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2n1C(F)F ZINC000826379116 608387152 /nfs/dbraw/zinc/38/71/52/608387152.db2.gz JIEPWNAXLODFIK-GFCCVEGCSA-N -1 3 394.345 2.857 20 30 GFEDHM N#C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2n1C(F)F ZINC000826379116 608387155 /nfs/dbraw/zinc/38/71/55/608387155.db2.gz JIEPWNAXLODFIK-GFCCVEGCSA-N -1 3 394.345 2.857 20 30 GFEDHM COc1cccc(O)c1C=NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826217265 608527227 /nfs/dbraw/zinc/52/72/27/608527227.db2.gz FGQKQFGPMSJHMG-MTJSOVHGSA-N -1 3 394.435 2.785 20 30 GFEDHM COc1cccc(O)c1C=NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826217265 608527229 /nfs/dbraw/zinc/52/72/29/608527229.db2.gz FGQKQFGPMSJHMG-MTJSOVHGSA-N -1 3 394.435 2.785 20 30 GFEDHM COCCOc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826162826 608540472 /nfs/dbraw/zinc/54/04/72/608540472.db2.gz UCLQTTAEXYNJDF-UHFFFAOYSA-N -1 3 387.831 2.776 20 30 GFEDHM COCCOc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826162826 608540473 /nfs/dbraw/zinc/54/04/73/608540473.db2.gz UCLQTTAEXYNJDF-UHFFFAOYSA-N -1 3 387.831 2.776 20 30 GFEDHM Cc1c(C(=O)C=Cc2cn(C)nc2C(C)(C)C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234368 608753258 /nfs/dbraw/zinc/75/32/58/608753258.db2.gz SIYBIBUFFHHBHI-HJWRWDBZSA-N -1 3 379.468 2.850 20 30 GFEDHM Cc1c(C(=O)C=Cc2cn(C)nc2C(C)(C)C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234368 608753259 /nfs/dbraw/zinc/75/32/59/608753259.db2.gz SIYBIBUFFHHBHI-HJWRWDBZSA-N -1 3 379.468 2.850 20 30 GFEDHM C#CCCOc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823845351 608851523 /nfs/dbraw/zinc/85/15/23/608851523.db2.gz OYSKJQPTOBAVTF-NRFANRHFSA-N -1 3 389.459 2.842 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826379932 609141845 /nfs/dbraw/zinc/14/18/45/609141845.db2.gz HESYAHXFAAVEMC-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826379932 609141847 /nfs/dbraw/zinc/14/18/47/609141847.db2.gz HESYAHXFAAVEMC-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953751 609275201 /nfs/dbraw/zinc/27/52/01/609275201.db2.gz OJBFUJDWWXZIFQ-UHFFFAOYSA-N -1 3 387.419 2.533 20 30 GFEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953751 609275204 /nfs/dbraw/zinc/27/52/04/609275204.db2.gz OJBFUJDWWXZIFQ-UHFFFAOYSA-N -1 3 387.419 2.533 20 30 GFEDHM Cn1cc(C=NNc2cccc(F)c2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360450 609306543 /nfs/dbraw/zinc/30/65/43/609306543.db2.gz KORKLNGPPJBQSN-UHFFFAOYSA-N -1 3 380.362 2.991 20 30 GFEDHM C=C(C)COCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823878303 609328502 /nfs/dbraw/zinc/32/85/02/609328502.db2.gz VFRFUAODJMXTJI-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM C=C(C)COCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823878303 609328503 /nfs/dbraw/zinc/32/85/03/609328503.db2.gz VFRFUAODJMXTJI-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM N#CCC1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000826381113 609423899 /nfs/dbraw/zinc/42/38/99/609423899.db2.gz XSEKJXHXXNWVLH-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM N#CCC1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000826381113 609423900 /nfs/dbraw/zinc/42/39/00/609423900.db2.gz XSEKJXHXXNWVLH-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM Cc1c(Cl)cnc(NC2CCN(c3ccc(C#N)cn3)CC2)c1-c1nnn[n-]1 ZINC000826238310 609547117 /nfs/dbraw/zinc/54/71/17/609547117.db2.gz CLCIUGWUGZKNLG-UHFFFAOYSA-N -1 3 395.858 2.571 20 30 GFEDHM Cc1c(Cl)cnc(NC2CCN(c3ccc(C#N)cn3)CC2)c1-c1nn[n-]n1 ZINC000826238310 609547120 /nfs/dbraw/zinc/54/71/20/609547120.db2.gz CLCIUGWUGZKNLG-UHFFFAOYSA-N -1 3 395.858 2.571 20 30 GFEDHM COCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000835066215 660840014 /nfs/dbraw/zinc/84/00/14/660840014.db2.gz WYNCSKQRUAGGOX-GFCCVEGCSA-N -1 3 381.219 2.834 20 30 GFEDHM C=CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000837048234 660967689 /nfs/dbraw/zinc/96/76/89/660967689.db2.gz OHIBZALAEKWFNA-LBPRGKRZSA-N -1 3 385.233 2.674 20 30 GFEDHM C[C@]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000125640314 654800353 /nfs/dbraw/zinc/80/03/53/654800353.db2.gz HEHRFBQRZVKTML-MRXNPFEDSA-N -1 3 398.271 2.544 20 30 GFEDHM CCc1[nH]nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Br ZINC000266940094 654899778 /nfs/dbraw/zinc/89/97/78/654899778.db2.gz BWQIKCRBNKIWAC-UHFFFAOYSA-N -1 3 392.257 2.895 20 30 GFEDHM C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H](c2ccsc2)O1 ZINC000330103976 655387716 /nfs/dbraw/zinc/38/77/16/655387716.db2.gz HGNAMOGARDLQFY-PSASIEDQSA-N -1 3 375.376 2.761 20 30 GFEDHM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1Br ZINC000195049545 655418726 /nfs/dbraw/zinc/41/87/26/655418726.db2.gz GAMDOKAYHJQVPO-LLVKDONJSA-N -1 3 379.235 2.738 20 30 GFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000735081529 655638850 /nfs/dbraw/zinc/63/88/50/655638850.db2.gz FFZSDZCCFYOFLB-MRVPVSSYSA-N -1 3 380.235 2.618 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(Cl)s2)ccc1F ZINC000742192951 655711817 /nfs/dbraw/zinc/71/18/17/655711817.db2.gz HXNNFRJOCDFVKM-UHFFFAOYSA-N -1 3 375.834 2.652 20 30 GFEDHM CCOc1cc(C=NNS(=O)(=O)CCc2ccccc2)cc(Cl)c1[O-] ZINC000743447522 655729208 /nfs/dbraw/zinc/72/92/08/655729208.db2.gz TVTMOUFTNZAHLC-UHFFFAOYSA-N -1 3 382.869 2.940 20 30 GFEDHM CCS(=O)(=O)N1CCC(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000753996821 655861874 /nfs/dbraw/zinc/86/18/74/655861874.db2.gz XTAGRNRSSZLQEK-GZTJUZNOSA-N -1 3 389.315 2.635 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000755131800 655879985 /nfs/dbraw/zinc/87/99/85/655879985.db2.gz 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CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000414378791 563731569 /nfs/dbraw/zinc/73/15/69/563731569.db2.gz ZTODRJQZHGQOJZ-UHFFFAOYSA-N -1 3 376.356 2.805 20 30 GFEDHM CN1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000414467083 563741847 /nfs/dbraw/zinc/74/18/47/563741847.db2.gz VYFZJPHOTYTYMZ-NVXWUHKLSA-N -1 3 375.881 2.588 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1 ZINC000443092197 563791087 /nfs/dbraw/zinc/79/10/87/563791087.db2.gz JAJQGSUNFJUSSS-UHFFFAOYSA-N -1 3 380.813 2.510 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)s1 ZINC000366647709 563816847 /nfs/dbraw/zinc/81/68/47/563816847.db2.gz IMVZZBRTGLPAQD-NSHDSACASA-N -1 3 383.445 2.703 20 30 GFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)(C)C ZINC000416412445 563825185 /nfs/dbraw/zinc/82/51/85/563825185.db2.gz CWOUPFONODZEQQ-ZDUSSCGKSA-N -1 3 375.288 2.660 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCC[C@@H]1O ZINC000416419440 563826373 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CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000451393836 564308455 /nfs/dbraw/zinc/30/84/55/564308455.db2.gz QUJZQUZVAHUAFV-VIFPVBQESA-N -1 3 398.653 2.915 20 30 GFEDHM COc1ccc(OCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000475574695 564312655 /nfs/dbraw/zinc/31/26/55/564312655.db2.gz XDYSWYPRJSJFTF-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM Cc1nc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)sc1SCC#N ZINC000476239466 564332635 /nfs/dbraw/zinc/33/26/35/564332635.db2.gz PYHNCGWKPSKGKZ-UHFFFAOYSA-N -1 3 382.536 2.930 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479977104 564456877 /nfs/dbraw/zinc/45/68/77/564456877.db2.gz GWHLULNHJPTUPQ-UHFFFAOYSA-N -1 3 383.788 2.780 20 30 GFEDHM C=CCCS(=O)(=O)[N-][C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000480863640 564492060 /nfs/dbraw/zinc/49/20/60/564492060.db2.gz GDRSMVUUBGPITD-CQSZACIVSA-N -1 3 380.293 2.963 20 30 GFEDHM C[C@@H](Sc1n[n-]c(CO)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000516531892 564504403 /nfs/dbraw/zinc/50/44/03/564504403.db2.gz YABMIBHAGIUQPT-SECBINFHSA-N -1 3 377.495 2.618 20 30 GFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)c2nccn21 ZINC000571057995 564534526 /nfs/dbraw/zinc/53/45/26/564534526.db2.gz UEURHSXEXYBZHU-SKDRFNHKSA-N -1 3 381.255 2.502 20 30 GFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000571782661 564566638 /nfs/dbraw/zinc/56/66/38/564566638.db2.gz SPIAGXXBRNFZLV-UHFFFAOYSA-N -1 3 385.283 2.868 20 30 GFEDHM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000487352299 564684613 /nfs/dbraw/zinc/68/46/13/564684613.db2.gz JMDMPYPEGSEYQR-CYBMUJFWSA-N -1 3 390.502 2.707 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Br)cc1 ZINC000489285129 564735340 /nfs/dbraw/zinc/73/53/40/564735340.db2.gz GTGODKNFPWCXIW-ZDUSSCGKSA-N -1 3 376.272 2.549 20 30 GFEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000553907573 564744294 /nfs/dbraw/zinc/74/42/94/564744294.db2.gz CAZTYVYNOLNFKG-UHFFFAOYSA-N -1 3 390.259 2.966 20 30 GFEDHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000555844043 564806354 /nfs/dbraw/zinc/80/63/54/564806354.db2.gz VHXAQOKKNLRREL-BBRMVZONSA-N -1 3 395.893 2.523 20 30 GFEDHM COc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)c1 ZINC000559639663 564938406 /nfs/dbraw/zinc/93/84/06/564938406.db2.gz ROKIFTSVVDWBTG-UHFFFAOYSA-N -1 3 381.251 2.808 20 30 GFEDHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000503216902 565014106 /nfs/dbraw/zinc/01/41/06/565014106.db2.gz DHQKVRPBSRWHDO-CQSZACIVSA-N -1 3 378.837 2.502 20 30 GFEDHM CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503451723 565020270 /nfs/dbraw/zinc/02/02/70/565020270.db2.gz BZUONUUJALMIGT-KGLIPLIRSA-N -1 3 383.901 2.573 20 30 GFEDHM COc1ccc2c(c1)OC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000503700790 565026524 /nfs/dbraw/zinc/02/65/24/565026524.db2.gz GIFYRQYNCDQYGZ-CYBMUJFWSA-N -1 3 378.837 2.502 20 30 GFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1cccs1 ZINC000589235701 565157243 /nfs/dbraw/zinc/15/72/43/565157243.db2.gz FOPDLUHLYWSACM-MRXNPFEDSA-N -1 3 382.482 2.938 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)N1CCc2ccccc2C1 ZINC000593529313 565337662 /nfs/dbraw/zinc/33/76/62/565337662.db2.gz NTCYIENBXHAYFH-UHFFFAOYSA-N -1 3 375.519 2.735 20 30 GFEDHM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1ccsc1C#N)O[C@H](C)C2 ZINC000593525559 565338065 /nfs/dbraw/zinc/33/80/65/565338065.db2.gz HQGOKSITRZJJCA-LLVKDONJSA-N -1 3 378.475 2.820 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCOCCOCc1ccccc1 ZINC000593571622 565342305 /nfs/dbraw/zinc/34/23/05/565342305.db2.gz HYWIUNSDTBCCFF-UHFFFAOYSA-N -1 3 380.491 2.522 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC000594859925 565431323 /nfs/dbraw/zinc/43/13/23/565431323.db2.gz IPBDTCOGNVKLGV-ZBFHGGJFSA-N -1 3 378.885 2.635 20 30 GFEDHM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1F ZINC000644281820 565470143 /nfs/dbraw/zinc/47/01/43/565470143.db2.gz YIRJTXXKUFZGJF-GZMMTYOYSA-N -1 3 395.296 2.969 20 30 GFEDHM Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000601439900 565783329 /nfs/dbraw/zinc/78/33/29/565783329.db2.gz XNJPTTBFMPFHDG-JTQLQIEISA-N -1 3 383.271 2.700 20 30 GFEDHM CCN(Cc1c([O-])c(C)ncc1CO)c1cc(C#N)c(Br)cn1 ZINC000603393808 565902812 /nfs/dbraw/zinc/90/28/12/565902812.db2.gz MQXLTPRSAGCFKT-UHFFFAOYSA-N -1 3 377.242 2.644 20 30 GFEDHM C=CCCCN(C)C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000609914058 566058487 /nfs/dbraw/zinc/05/84/87/566058487.db2.gz WRQWWWDVSCWKPO-OAHLLOKOSA-N -1 3 388.530 2.650 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2ncnc3sccc32)c(Cl)c1 ZINC000611538618 566134822 /nfs/dbraw/zinc/13/48/22/566134822.db2.gz BHANSAUXWVFIAJ-UHFFFAOYSA-N -1 3 393.881 2.607 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1C ZINC000737416316 598916900 /nfs/dbraw/zinc/91/69/00/598916900.db2.gz ZNHHUBKHCNTOCQ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccccc1C ZINC000737416316 598916902 /nfs/dbraw/zinc/91/69/02/598916902.db2.gz ZNHHUBKHCNTOCQ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM O=C1Nc2c(cc(Cl)cc2Cl)C1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823696435 607254771 /nfs/dbraw/zinc/25/47/71/607254771.db2.gz DOCGXVOTIPKTLF-UHFFFAOYSA-N -1 3 388.218 2.620 20 30 GFEDHM O=C1Nc2c(cc(Cl)cc2Cl)C1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823696435 607254772 /nfs/dbraw/zinc/25/47/72/607254772.db2.gz DOCGXVOTIPKTLF-UHFFFAOYSA-N -1 3 388.218 2.620 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735693300 599030889 /nfs/dbraw/zinc/03/08/89/599030889.db2.gz YVUHFQSYBQAEKK-GOSISDBHSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735693300 599030891 /nfs/dbraw/zinc/03/08/91/599030891.db2.gz YVUHFQSYBQAEKK-GOSISDBHSA-N -1 3 376.420 2.724 20 30 GFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1N1CCOCC1 ZINC000737802787 599064613 /nfs/dbraw/zinc/06/46/13/599064613.db2.gz XQVBIFCBPRKSIS-FPLPWBNLSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1N1CCOCC1 ZINC000737802787 599064616 /nfs/dbraw/zinc/06/46/16/599064616.db2.gz XQVBIFCBPRKSIS-FPLPWBNLSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C1C(=Cc2ccc(N3CCOCC3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503506 599117295 /nfs/dbraw/zinc/11/72/95/599117295.db2.gz GABHEFTVILPFAA-GHRIWEEISA-N -1 3 387.443 2.916 20 30 GFEDHM O=C1C(=Cc2ccc(N3CCOCC3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503506 599117298 /nfs/dbraw/zinc/11/72/98/599117298.db2.gz GABHEFTVILPFAA-GHRIWEEISA-N -1 3 387.443 2.916 20 30 GFEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000737083305 599126930 /nfs/dbraw/zinc/12/69/30/599126930.db2.gz PKXLBOSBFYKQMC-UHFFFAOYSA-N -1 3 392.448 2.613 20 30 GFEDHM COc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000737083305 599126932 /nfs/dbraw/zinc/12/69/32/599126932.db2.gz PKXLBOSBFYKQMC-UHFFFAOYSA-N -1 3 392.448 2.613 20 30 GFEDHM C=CCOc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000735437796 598308773 /nfs/dbraw/zinc/30/87/73/598308773.db2.gz QIOFCDPNTLIHCP-UHFFFAOYSA-N -1 3 383.383 2.509 20 30 GFEDHM C=CCOc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000735437796 598308775 /nfs/dbraw/zinc/30/87/75/598308775.db2.gz QIOFCDPNTLIHCP-UHFFFAOYSA-N -1 3 383.383 2.509 20 30 GFEDHM CN1c2ccccc2C(=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1=O ZINC000736843458 598314105 /nfs/dbraw/zinc/31/41/05/598314105.db2.gz MUIMMGKOLHNAFT-UHFFFAOYSA-N -1 3 387.325 2.678 20 30 GFEDHM CN1c2ccccc2C(=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1=O ZINC000736843458 598314106 /nfs/dbraw/zinc/31/41/06/598314106.db2.gz MUIMMGKOLHNAFT-UHFFFAOYSA-N -1 3 387.325 2.678 20 30 GFEDHM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1OC ZINC000737129534 598378529 /nfs/dbraw/zinc/37/85/29/598378529.db2.gz KFCDVTWSQWCPDD-KTKRTIGZSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1OC ZINC000737129534 598378530 /nfs/dbraw/zinc/37/85/30/598378530.db2.gz KFCDVTWSQWCPDD-KTKRTIGZSA-N -1 3 379.420 2.836 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380994 598417023 /nfs/dbraw/zinc/41/70/23/598417023.db2.gz QLCUNLYFZITFBZ-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735430294 598554234 /nfs/dbraw/zinc/55/42/34/598554234.db2.gz ZXMCVNKYEHDWKA-AWEZNQCLSA-N -1 3 378.436 2.548 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735430294 598554239 /nfs/dbraw/zinc/55/42/39/598554239.db2.gz ZXMCVNKYEHDWKA-AWEZNQCLSA-N -1 3 378.436 2.548 20 30 GFEDHM C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736102078 598576963 /nfs/dbraw/zinc/57/69/63/598576963.db2.gz QQPTVYRZSNIZNS-LIRRHRJNSA-N -1 3 387.447 2.585 20 30 GFEDHM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737730604 598663476 /nfs/dbraw/zinc/66/34/76/598663476.db2.gz NRQIEVZAKGXVTF-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737730604 598663478 /nfs/dbraw/zinc/66/34/78/598663478.db2.gz NRQIEVZAKGXVTF-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735503846 598691516 /nfs/dbraw/zinc/69/15/16/598691516.db2.gz KLVDESIIDVRJLB-FQEVSTJZSA-N -1 3 392.488 2.990 20 30 GFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735503846 598691518 /nfs/dbraw/zinc/69/15/18/598691518.db2.gz KLVDESIIDVRJLB-FQEVSTJZSA-N -1 3 392.488 2.990 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735963890 598752967 /nfs/dbraw/zinc/75/29/67/598752967.db2.gz QDJUSIOEUSTESX-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735963890 598752968 /nfs/dbraw/zinc/75/29/68/598752968.db2.gz QDJUSIOEUSTESX-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM N#CCCN(CC1CC1)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000737686848 598753610 /nfs/dbraw/zinc/75/36/10/598753610.db2.gz MJGZBFYSRNYFHG-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM N#CCCN(CC1CC1)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000737686848 598753611 /nfs/dbraw/zinc/75/36/11/598753611.db2.gz MJGZBFYSRNYFHG-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM N#CCCCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737687121 598769885 /nfs/dbraw/zinc/76/98/85/598769885.db2.gz GYMNZXQZOCXLLK-UHFFFAOYSA-N -1 3 382.453 2.729 20 30 GFEDHM N#CCCCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737687121 598769887 /nfs/dbraw/zinc/76/98/87/598769887.db2.gz GYMNZXQZOCXLLK-UHFFFAOYSA-N -1 3 382.453 2.729 20 30 GFEDHM N#Cc1ccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737718141 599426080 /nfs/dbraw/zinc/42/60/80/599426080.db2.gz KDSUUOHULIOJQG-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737718141 599426083 /nfs/dbraw/zinc/42/60/83/599426083.db2.gz KDSUUOHULIOJQG-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738359040 599459322 /nfs/dbraw/zinc/45/93/22/599459322.db2.gz IRTNHBKMACFXHG-UHFFFAOYSA-N -1 3 383.759 2.522 20 30 GFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738359040 599459323 /nfs/dbraw/zinc/45/93/23/599459323.db2.gz IRTNHBKMACFXHG-UHFFFAOYSA-N -1 3 383.759 2.522 20 30 GFEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)c2c1 ZINC000737116645 599463200 /nfs/dbraw/zinc/46/32/00/599463200.db2.gz VMWXTLGGJZKEOC-ZZXKWVIFSA-N -1 3 385.387 2.900 20 30 GFEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)c2c1 ZINC000737116645 599463203 /nfs/dbraw/zinc/46/32/03/599463203.db2.gz VMWXTLGGJZKEOC-ZZXKWVIFSA-N -1 3 385.387 2.900 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000826243468 607399226 /nfs/dbraw/zinc/39/92/26/607399226.db2.gz JSJZFXQBRPCGPU-ZDUSSCGKSA-N -1 3 398.785 2.929 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CC1 ZINC000736095397 599996940 /nfs/dbraw/zinc/99/69/40/599996940.db2.gz UIKYCVFLRWXBAX-UHFFFAOYSA-N -1 3 396.491 2.974 20 30 GFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737371109 600065843 /nfs/dbraw/zinc/06/58/43/600065843.db2.gz YUJVHYXLRSUWPX-UHFFFAOYSA-N -1 3 379.460 2.779 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000822922001 607460355 /nfs/dbraw/zinc/46/03/55/607460355.db2.gz BUUMKHVNKDTBPF-SREVYHEPSA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(N2CCOC2=O)c1 ZINC000822922001 607460357 /nfs/dbraw/zinc/46/03/57/607460357.db2.gz BUUMKHVNKDTBPF-SREVYHEPSA-N -1 3 379.351 2.859 20 30 GFEDHM N#Cc1cccc([C@@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])c1 ZINC000833075902 601303441 /nfs/dbraw/zinc/30/34/41/601303441.db2.gz ODPYLHAFRVLSOJ-OAHLLOKOSA-N -1 3 389.205 2.965 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830604502 602371631 /nfs/dbraw/zinc/37/16/31/602371631.db2.gz PLJNVPREBHYGQL-UHFFFAOYSA-N -1 3 384.411 2.991 20 30 GFEDHM N#Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826387050 607574312 /nfs/dbraw/zinc/57/43/12/607574312.db2.gz DOZJAHAHXAWSOG-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSCc1cscn1 ZINC000823909403 607577418 /nfs/dbraw/zinc/57/74/18/607577418.db2.gz BNZFDKXSWJKSMJ-UHFFFAOYSA-N -1 3 386.506 2.771 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CSCc1cscn1 ZINC000823909403 607577420 /nfs/dbraw/zinc/57/74/20/607577420.db2.gz BNZFDKXSWJKSMJ-UHFFFAOYSA-N -1 3 386.506 2.771 20 30 GFEDHM COc1ccc(COC(=O)CSCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826205579 607600840 /nfs/dbraw/zinc/60/08/40/607600840.db2.gz BEPMEPACLKCLOB-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM COc1ccc(COC(=O)CSCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826205579 607600841 /nfs/dbraw/zinc/60/08/41/607600841.db2.gz BEPMEPACLKCLOB-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM CCOC(=O)Nc1ccc(N=Cc2cccc(OC)c2O)cc1-c1nnn[n-]1 ZINC000825523805 607679236 /nfs/dbraw/zinc/67/92/36/607679236.db2.gz VHDZUISYFSXYAE-UHFFFAOYSA-N -1 3 382.380 2.900 20 30 GFEDHM CCOC(=O)Nc1ccc(N=Cc2cccc(OC)c2O)cc1-c1nn[n-]n1 ZINC000825523805 607679237 /nfs/dbraw/zinc/67/92/37/607679237.db2.gz VHDZUISYFSXYAE-UHFFFAOYSA-N -1 3 382.380 2.900 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000826247387 607700448 /nfs/dbraw/zinc/70/04/48/607700448.db2.gz BAOPCAPAHNFORW-UHFFFAOYSA-N -1 3 385.349 2.975 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000826247387 607700450 /nfs/dbraw/zinc/70/04/50/607700450.db2.gz BAOPCAPAHNFORW-UHFFFAOYSA-N -1 3 385.349 2.975 20 30 GFEDHM C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833379958 605233344 /nfs/dbraw/zinc/23/33/44/605233344.db2.gz RLMDUHXROSWABP-OAHLLOKOSA-N -1 3 392.525 2.732 20 30 GFEDHM C#CCN1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000833364257 605307912 /nfs/dbraw/zinc/30/79/12/605307912.db2.gz IJYGFOPKCWVIPU-MRXNPFEDSA-N -1 3 382.382 2.683 20 30 GFEDHM C[C@@H](C#N)CN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CC1 ZINC000824035534 607831484 /nfs/dbraw/zinc/83/14/84/607831484.db2.gz ZICHRCPAQBIDEK-LBPRGKRZSA-N -1 3 399.524 2.760 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(CC#N)c2)cc1-c1nnn[n-]1 ZINC000825544950 607761147 /nfs/dbraw/zinc/76/11/47/607761147.db2.gz IVAOAOZMHXSSJB-UHFFFAOYSA-N -1 3 391.391 2.753 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(CC#N)c2)cc1-c1nn[n-]n1 ZINC000825544950 607761148 /nfs/dbraw/zinc/76/11/48/607761148.db2.gz IVAOAOZMHXSSJB-UHFFFAOYSA-N -1 3 391.391 2.753 20 30 GFEDHM CCN(CCC#N)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1 ZINC000821206917 606080410 /nfs/dbraw/zinc/08/04/10/606080410.db2.gz HBZODEAHKGAEFW-UHFFFAOYSA-N -1 3 384.488 2.574 20 30 GFEDHM CCN(CCC#N)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1 ZINC000821206917 606080415 /nfs/dbraw/zinc/08/04/15/606080415.db2.gz HBZODEAHKGAEFW-UHFFFAOYSA-N -1 3 384.488 2.574 20 30 GFEDHM O=C(C=NOCc1cn2ccccc2c1-c1nnn[n-]1)Nc1ccccc1Cl ZINC000822935287 606176214 /nfs/dbraw/zinc/17/62/14/606176214.db2.gz JKTRVAYDMUBRSL-UHFFFAOYSA-N -1 3 395.810 2.914 20 30 GFEDHM O=C(C=NOCc1cn2ccccc2c1-c1nn[n-]n1)Nc1ccccc1Cl ZINC000822935287 606176215 /nfs/dbraw/zinc/17/62/15/606176215.db2.gz JKTRVAYDMUBRSL-UHFFFAOYSA-N -1 3 395.810 2.914 20 30 GFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000822211553 606315331 /nfs/dbraw/zinc/31/53/31/606315331.db2.gz DQVJSNYEJSXGHE-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820548505 606411844 /nfs/dbraw/zinc/41/18/44/606411844.db2.gz AXXNBYAICZGESE-LLVKDONJSA-N -1 3 382.811 2.822 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820548505 606411845 /nfs/dbraw/zinc/41/18/45/606411845.db2.gz AXXNBYAICZGESE-LLVKDONJSA-N -1 3 382.811 2.822 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820535659 606411937 /nfs/dbraw/zinc/41/19/37/606411937.db2.gz PTPBVXUITVCGPG-LLVKDONJSA-N -1 3 382.811 2.822 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820535659 606411939 /nfs/dbraw/zinc/41/19/39/606411939.db2.gz PTPBVXUITVCGPG-LLVKDONJSA-N -1 3 382.811 2.822 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822822675 606481452 /nfs/dbraw/zinc/48/14/52/606481452.db2.gz AZPOFYIRMVHTLF-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822822675 606481454 /nfs/dbraw/zinc/48/14/54/606481454.db2.gz AZPOFYIRMVHTLF-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822802265 606504970 /nfs/dbraw/zinc/50/49/70/606504970.db2.gz YGDGMPTXUDLSOY-HOTGVXAUSA-N -1 3 393.476 2.638 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822802265 606504972 /nfs/dbraw/zinc/50/49/72/606504972.db2.gz YGDGMPTXUDLSOY-HOTGVXAUSA-N -1 3 393.476 2.638 20 30 GFEDHM CCOc1ccc(N(CCC#N)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821422074 606550263 /nfs/dbraw/zinc/55/02/63/606550263.db2.gz LXGBVQCWIAGLSN-UHFFFAOYSA-N -1 3 376.420 2.755 20 30 GFEDHM CCOc1ccc(N(CCC#N)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821422074 606550264 /nfs/dbraw/zinc/55/02/64/606550264.db2.gz LXGBVQCWIAGLSN-UHFFFAOYSA-N -1 3 376.420 2.755 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(-c3nnn[n-]3)cs2)c1C#N ZINC000822486486 606569470 /nfs/dbraw/zinc/56/94/70/606569470.db2.gz LIXXUIUZKIDPIA-UHFFFAOYSA-N -1 3 391.416 2.651 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(-c3nn[n-]n3)cs2)c1C#N ZINC000822486486 606569472 /nfs/dbraw/zinc/56/94/72/606569472.db2.gz LIXXUIUZKIDPIA-UHFFFAOYSA-N -1 3 391.416 2.651 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169156 606641494 /nfs/dbraw/zinc/64/14/94/606641494.db2.gz YSMSMIQLZCYSOE-QGZVFWFLSA-N -1 3 377.452 2.942 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820842347 606680027 /nfs/dbraw/zinc/68/00/27/606680027.db2.gz METHQMOPQULNIB-ZDUSSCGKSA-N -1 3 398.373 2.756 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820842347 606680028 /nfs/dbraw/zinc/68/00/28/606680028.db2.gz METHQMOPQULNIB-ZDUSSCGKSA-N -1 3 398.373 2.756 20 30 GFEDHM N#CCOc1cc(F)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822810156 606708858 /nfs/dbraw/zinc/70/88/58/606708858.db2.gz CVGMOMWKLBMVCU-UHFFFAOYSA-N -1 3 392.354 2.570 20 30 GFEDHM N#CCOc1cc(F)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822810156 606708860 /nfs/dbraw/zinc/70/88/60/606708860.db2.gz CVGMOMWKLBMVCU-UHFFFAOYSA-N -1 3 392.354 2.570 20 30 GFEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000823146878 606840162 /nfs/dbraw/zinc/84/01/62/606840162.db2.gz ZGKFODHZZNZUKD-UHFFFAOYSA-N -1 3 389.391 2.545 20 30 GFEDHM O=C(NC1CC1)c1cc(F)c(N=NCc2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000823146878 606840164 /nfs/dbraw/zinc/84/01/64/606840164.db2.gz ZGKFODHZZNZUKD-UHFFFAOYSA-N -1 3 389.391 2.545 20 30 GFEDHM N#Cc1ccc(CCC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822825490 606945471 /nfs/dbraw/zinc/94/54/71/606945471.db2.gz HPHYQTLNBQTBKG-UHFFFAOYSA-N -1 3 377.404 2.683 20 30 GFEDHM N#Cc1ccc(CCC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822825490 606945472 /nfs/dbraw/zinc/94/54/72/606945472.db2.gz HPHYQTLNBQTBKG-UHFFFAOYSA-N -1 3 377.404 2.683 20 30 GFEDHM C#CCCCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819693685 606955616 /nfs/dbraw/zinc/95/56/16/606955616.db2.gz VGSCQVUIAFTTSZ-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM C#CCCCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819693685 606955618 /nfs/dbraw/zinc/95/56/18/606955618.db2.gz VGSCQVUIAFTTSZ-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821613460 606992339 /nfs/dbraw/zinc/99/23/39/606992339.db2.gz OFGZRTFSHQBHRK-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821613460 606992340 /nfs/dbraw/zinc/99/23/40/606992340.db2.gz OFGZRTFSHQBHRK-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM N#Cc1cc(Br)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822819414 607032363 /nfs/dbraw/zinc/03/23/63/607032363.db2.gz SBUQCPCXDPEDLQ-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822829770 607082957 /nfs/dbraw/zinc/08/29/57/607082957.db2.gz ICVQKEGNPKZPAY-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822829770 607082959 /nfs/dbraw/zinc/08/29/59/607082959.db2.gz ICVQKEGNPKZPAY-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM C[C@@H](C#N)CN(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CC1 ZINC000824035534 607831485 /nfs/dbraw/zinc/83/14/85/607831485.db2.gz ZICHRCPAQBIDEK-LBPRGKRZSA-N -1 3 399.524 2.760 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)c1ccc(C#N)cc1 ZINC000825608745 607872376 /nfs/dbraw/zinc/87/23/76/607872376.db2.gz DJLZEVNZCDQDTO-OAHLLOKOSA-N -1 3 385.811 2.903 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)c1ccc(C#N)cc1 ZINC000825608745 607872377 /nfs/dbraw/zinc/87/23/77/607872377.db2.gz DJLZEVNZCDQDTO-OAHLLOKOSA-N -1 3 385.811 2.903 20 30 GFEDHM Brc1cncc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000823832029 607964488 /nfs/dbraw/zinc/96/44/88/607964488.db2.gz IQKCPRMISQEOAQ-UHFFFAOYSA-N -1 3 383.213 2.952 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000823910221 608120171 /nfs/dbraw/zinc/12/01/71/608120171.db2.gz ZMDKVCOHKUHGEH-ZDUSSCGKSA-N -1 3 379.468 2.915 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000823910221 608120172 /nfs/dbraw/zinc/12/01/72/608120172.db2.gz ZMDKVCOHKUHGEH-ZDUSSCGKSA-N -1 3 379.468 2.915 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825788626 608177118 /nfs/dbraw/zinc/17/71/18/608177118.db2.gz SQEJJQQLZVWLGJ-CSKARUKUSA-N -1 3 384.403 2.760 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825788626 608177120 /nfs/dbraw/zinc/17/71/20/608177120.db2.gz SQEJJQQLZVWLGJ-CSKARUKUSA-N -1 3 384.403 2.760 20 30 GFEDHM C#CCCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823838626 608323064 /nfs/dbraw/zinc/32/30/64/608323064.db2.gz SARSWRRCKOVXKW-LLVKDONJSA-N -1 3 375.816 2.584 20 30 GFEDHM C#CCCCCC(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823838626 608323066 /nfs/dbraw/zinc/32/30/66/608323066.db2.gz SARSWRRCKOVXKW-LLVKDONJSA-N -1 3 375.816 2.584 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CSCc1ccc(C#N)cc1 ZINC000826171886 608348247 /nfs/dbraw/zinc/34/82/47/608348247.db2.gz CQGLEWKOBJUZPE-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CSCc1ccc(C#N)cc1 ZINC000826171886 608348249 /nfs/dbraw/zinc/34/82/49/608348249.db2.gz CQGLEWKOBJUZPE-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ncc(-c4nnn[n-]4)cc3Cl)n2)c1 ZINC000826386656 608410316 /nfs/dbraw/zinc/41/03/16/608410316.db2.gz NJPWNORGVKUEEY-UHFFFAOYSA-N -1 3 377.799 2.789 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ncc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826386656 608410317 /nfs/dbraw/zinc/41/03/17/608410317.db2.gz NJPWNORGVKUEEY-UHFFFAOYSA-N -1 3 377.799 2.789 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(Br)cn2)n1 ZINC000826350258 608539205 /nfs/dbraw/zinc/53/92/05/608539205.db2.gz OHVXHEVYZHDXJR-UHFFFAOYSA-N -1 3 379.609 2.519 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(Br)cn2)n1 ZINC000826350258 608539208 /nfs/dbraw/zinc/53/92/08/608539208.db2.gz OHVXHEVYZHDXJR-UHFFFAOYSA-N -1 3 379.609 2.519 20 30 GFEDHM C=CCN(Cc1c(C)nc2sc(C)nn21)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915571 608633117 /nfs/dbraw/zinc/63/31/17/608633117.db2.gz ZZLKYKPNNZKFAC-UHFFFAOYSA-N -1 3 380.481 2.776 20 30 GFEDHM C=CCN(Cc1c(C)nc2sc(C)nn21)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915571 608633119 /nfs/dbraw/zinc/63/31/19/608633119.db2.gz ZZLKYKPNNZKFAC-UHFFFAOYSA-N -1 3 380.481 2.776 20 30 GFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(-c2ccncc2)n1 ZINC000826359603 609274456 /nfs/dbraw/zinc/27/44/56/609274456.db2.gz LWVBAHHRGQUMTM-HYXAFXHYSA-N -1 3 375.367 2.697 20 30 GFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2ccncc2)n1 ZINC000826359603 609274458 /nfs/dbraw/zinc/27/44/58/609274458.db2.gz LWVBAHHRGQUMTM-HYXAFXHYSA-N -1 3 375.367 2.697 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1-c1nnn[n-]1 ZINC000826385352 609384431 /nfs/dbraw/zinc/38/44/31/609384431.db2.gz IQYWYZUXIWGHDR-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1-c1nn[n-]n1 ZINC000826385352 609384432 /nfs/dbraw/zinc/38/44/32/609384432.db2.gz IQYWYZUXIWGHDR-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824035541 609625124 /nfs/dbraw/zinc/62/51/24/609625124.db2.gz ZLTSLVMUTIDUCV-CHWSQXEVSA-N -1 3 378.392 2.564 20 30 GFEDHM Cc1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)nn1-c1cccc(C#N)c1 ZINC000826261623 609625860 /nfs/dbraw/zinc/62/58/60/609625860.db2.gz LMZRLLLUDFWCDC-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM Cc1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)nn1-c1cccc(C#N)c1 ZINC000826261623 609625861 /nfs/dbraw/zinc/62/58/61/609625861.db2.gz LMZRLLLUDFWCDC-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@H]1CCN([O-])C1=O ZINC000820156412 660283195 /nfs/dbraw/zinc/28/31/95/660283195.db2.gz IBPJGBGNCQXIND-LBPRGKRZSA-N -1 3 386.260 2.766 20 30 GFEDHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1ccccc1Br ZINC000820180489 660284112 /nfs/dbraw/zinc/28/41/12/660284112.db2.gz ZKPODOXPINPJIT-AWEZNQCLSA-N -1 3 392.253 2.577 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831365163 660708835 /nfs/dbraw/zinc/70/88/35/660708835.db2.gz VWVGPTSLPVVMKY-SKDRFNHKSA-N -1 3 395.706 2.757 20 30 GFEDHM C=CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000837048233 660967766 /nfs/dbraw/zinc/96/77/66/660967766.db2.gz OHIBZALAEKWFNA-GFCCVEGCSA-N -1 3 385.233 2.674 20 30 GFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2c(c(Br)c1)OCO2 ZINC000055192964 654770586 /nfs/dbraw/zinc/77/05/86/654770586.db2.gz PBACDMRQFNIZEO-UHFFFAOYSA-N -1 3 379.092 2.951 20 30 GFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2c(c(Br)c1)OCO2 ZINC000055192964 654770587 /nfs/dbraw/zinc/77/05/87/654770587.db2.gz PBACDMRQFNIZEO-UHFFFAOYSA-N -1 3 379.092 2.951 20 30 GFEDHM Cc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1C#N ZINC000132304847 654932722 /nfs/dbraw/zinc/93/27/22/654932722.db2.gz UFZZWQQLJFTNOD-UHFFFAOYSA-N -1 3 388.221 2.590 20 30 GFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000103058545 655066199 /nfs/dbraw/zinc/06/61/99/655066199.db2.gz WGHXFVJFXWRIRZ-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000233897148 655424292 /nfs/dbraw/zinc/42/42/92/655424292.db2.gz BUHSUKNMYGEDQZ-VIFPVBQESA-N -1 3 381.089 2.902 20 30 GFEDHM C#CCN1C(=O)/C(=C\c2cc(Br)c([O-])c(OC)c2)SC1=S ZINC000759040298 655945780 /nfs/dbraw/zinc/94/57/80/655945780.db2.gz QMIBNNPCKGQLOW-YRNVUSSQSA-N -1 3 384.276 2.998 20 30 GFEDHM CC(N=Nc1nccc(N2CCOCC2)n1)c1ccc(Br)cc1[O-] ZINC000762600788 656051036 /nfs/dbraw/zinc/05/10/36/656051036.db2.gz RQLMSMMRCYRBMK-UHFFFAOYSA-N -1 3 392.257 2.617 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000779955147 656971089 /nfs/dbraw/zinc/97/10/89/656971089.db2.gz YYOOUHUFLOXLFE-UHFFFAOYSA-N -1 3 384.679 2.592 20 30 GFEDHM Cc1ncc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)cc1C#N ZINC000794030717 658479080 /nfs/dbraw/zinc/47/90/80/658479080.db2.gz WDVIJXIZVBUZNU-UHFFFAOYSA-N -1 3 397.210 2.733 20 30 GFEDHM C#CCO[N-]C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000812783099 660034782 /nfs/dbraw/zinc/03/47/82/660034782.db2.gz YMYCOMNNJWHAKI-UHFFFAOYSA-N -1 3 387.233 2.925 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)ccc1F ZINC000844812652 661441725 /nfs/dbraw/zinc/44/17/25/661441725.db2.gz FNANCGCOMTUKCP-HZPDHXFCSA-N -1 3 392.855 2.725 20 30 GFEDHM C=C[C@H](C)O[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846546873 661556125 /nfs/dbraw/zinc/55/61/25/661556125.db2.gz ZOCUOGPTSRXJEE-TVQRCGJNSA-N -1 3 386.235 2.821 20 30 GFEDHM O=C(Nc1cc(Cl)c(Br)cc1F)N[C@@H]1CCCN([O-])C1=O ZINC000880162808 662953138 /nfs/dbraw/zinc/95/31/38/662953138.db2.gz VBAFXHVYTPKMJN-SECBINFHSA-N -1 3 380.601 2.743 20 30 GFEDHM C#CCCc1noc([C@@H](CCSC)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000906104854 663925291 /nfs/dbraw/zinc/92/52/91/663925291.db2.gz YRAZBFBKQVEETG-OAHLLOKOSA-N -1 3 379.507 2.717 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(C(C)C)s2)ccc1F ZINC000045340344 551147019 /nfs/dbraw/zinc/14/70/19/551147019.db2.gz IHAAPKRQRRPTJM-UHFFFAOYSA-N -1 3 384.458 2.517 20 30 GFEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000125219738 551320740 /nfs/dbraw/zinc/32/07/40/551320740.db2.gz MEZCYRRRKUGYHT-LBPRGKRZSA-N -1 3 390.408 2.959 20 30 GFEDHM COc1ccc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)c(Cl)c1Cl ZINC000151817782 551421812 /nfs/dbraw/zinc/42/18/12/551421812.db2.gz GVBPJDXEDUGIDI-UHFFFAOYSA-N -1 3 392.308 2.516 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000155748882 551506973 /nfs/dbraw/zinc/50/69/73/551506973.db2.gz WHBCHIRMRXKZFW-VIFPVBQESA-N -1 3 395.200 2.507 20 30 GFEDHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000157188249 551534579 /nfs/dbraw/zinc/53/45/79/551534579.db2.gz BEPFXZXXVUZSOJ-LBPRGKRZSA-N -1 3 378.837 2.502 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)c(C(F)(F)F)c1 ZINC000159578306 551567434 /nfs/dbraw/zinc/56/74/34/551567434.db2.gz TZMXWTYIMCBNGQ-CQSZACIVSA-N -1 3 376.400 2.797 20 30 GFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000166258270 551631171 /nfs/dbraw/zinc/63/11/71/551631171.db2.gz LJRYEGPKEIJDFN-UHFFFAOYSA-N -1 3 381.089 2.903 20 30 GFEDHM COC(=O)[C@@](C)([N-]S(=O)(=O)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000186422574 552387708 /nfs/dbraw/zinc/38/77/08/552387708.db2.gz HUPBRHWWUGHBTR-AWEZNQCLSA-N -1 3 379.265 2.605 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1CCN(CC(F)(F)F)CC1 ZINC000188329526 552442263 /nfs/dbraw/zinc/44/22/63/552442263.db2.gz MEJHKQMMRQJWAE-UHFFFAOYSA-N -1 3 395.834 2.764 20 30 GFEDHM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccc(F)cc2)cn1 ZINC000370460659 563244938 /nfs/dbraw/zinc/24/49/38/563244938.db2.gz OFFBULYHIJUMEJ-INIZCTEOSA-N -1 3 376.438 2.560 20 30 GFEDHM Cn1cc([C@@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F)cn1 ZINC000278420760 563254243 /nfs/dbraw/zinc/25/42/43/563254243.db2.gz SWMKBEIVYGIHKM-SECBINFHSA-N -1 3 383.239 2.744 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2ccccc2Br)CC1 ZINC000428396081 563489784 /nfs/dbraw/zinc/48/97/84/563489784.db2.gz GCKURXQBZNBNRZ-UHFFFAOYSA-N -1 3 392.278 2.726 20 30 GFEDHM Cc1noc(C2CCC([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)n1 ZINC000378604002 563512215 /nfs/dbraw/zinc/51/22/15/563512215.db2.gz FODZNWADUNOCLY-UHFFFAOYSA-N -1 3 380.857 2.908 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC000330662351 563515875 /nfs/dbraw/zinc/51/58/75/563515875.db2.gz DDEWWEUCEXUXQC-CQSZACIVSA-N -1 3 387.299 2.540 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000331394874 563548598 /nfs/dbraw/zinc/54/85/98/563548598.db2.gz BSYRWFLOVVTSDB-ZDUSSCGKSA-N -1 3 383.539 2.981 20 30 GFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1 ZINC000410340064 563586603 /nfs/dbraw/zinc/58/66/03/563586603.db2.gz WKDOFVVCRSWNAO-CYBMUJFWSA-N -1 3 375.288 2.815 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)C1 ZINC000443082582 563791224 /nfs/dbraw/zinc/79/12/24/563791224.db2.gz AMJNHQXSRWKDMT-KRWDZBQOSA-N -1 3 375.881 2.764 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(Cl)cc1 ZINC000443365151 563803174 /nfs/dbraw/zinc/80/31/74/563803174.db2.gz CJCJHZNSDADYEN-HNNXBMFYSA-N -1 3 378.837 2.794 20 30 GFEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000446999448 563872105 /nfs/dbraw/zinc/87/21/05/563872105.db2.gz FMSYABVPWRNADQ-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000564513891 564236825 /nfs/dbraw/zinc/23/68/25/564236825.db2.gz OKFMHRFODMNQTF-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000508096375 564253615 /nfs/dbraw/zinc/25/36/15/564253615.db2.gz NALBJHLHKKKNEZ-CQSZACIVSA-N -1 3 393.893 2.751 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000508096371 564254009 /nfs/dbraw/zinc/25/40/09/564254009.db2.gz NALBJHLHKKKNEZ-AWEZNQCLSA-N -1 3 393.893 2.751 20 30 GFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000451135212 564279151 /nfs/dbraw/zinc/27/91/51/564279151.db2.gz LKXHWLYCBNSFTG-SSDOTTSWSA-N -1 3 384.626 2.525 20 30 GFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000451810843 564354067 /nfs/dbraw/zinc/35/40/67/564354067.db2.gz MOXZORLFJQQTME-UHFFFAOYSA-N -1 3 392.315 2.965 20 30 GFEDHM C=CCCCCCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000514796394 564458596 /nfs/dbraw/zinc/45/85/96/564458596.db2.gz PKOLYWAZQNHMCO-UHFFFAOYSA-N -1 3 385.555 2.947 20 30 GFEDHM C[C@@](CO)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000480864624 564492146 /nfs/dbraw/zinc/49/21/46/564492146.db2.gz IHHPAAJFZKTECE-SFHVURJKSA-N -1 3 378.881 2.731 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000550826902 564632739 /nfs/dbraw/zinc/63/27/39/564632739.db2.gz OOGFWLQDJOLLPO-UHFFFAOYSA-N -1 3 395.234 2.528 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1C(F)(F)F ZINC000551390276 564648748 /nfs/dbraw/zinc/64/87/48/564648748.db2.gz VLJYZRIBCDFSPF-UHFFFAOYSA-N -1 3 397.268 2.671 20 30 GFEDHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1F ZINC000486530830 564655850 /nfs/dbraw/zinc/65/58/50/564655850.db2.gz ALAOSFZEDVRJNC-UHFFFAOYSA-N -1 3 388.829 2.555 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCCC2)s1 ZINC000559578848 564935855 /nfs/dbraw/zinc/93/58/55/564935855.db2.gz XDUCMMVSZAAQJW-UHFFFAOYSA-N -1 3 385.580 2.650 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(C(F)(F)F)cs1 ZINC000466873689 564949324 /nfs/dbraw/zinc/94/93/24/564949324.db2.gz KQBBXZNNDLLWDR-UHFFFAOYSA-N -1 3 376.385 2.642 20 30 GFEDHM C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@H]1C1CC1 ZINC000562788258 565043009 /nfs/dbraw/zinc/04/30/09/565043009.db2.gz BYFTWYDFIKYIOD-GJZGRUSLSA-N -1 3 385.283 2.557 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000619366487 565337840 /nfs/dbraw/zinc/33/78/40/565337840.db2.gz YZYSDBYKHIHOIZ-CYBMUJFWSA-N -1 3 377.388 2.745 20 30 GFEDHM CCOCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557866 565341789 /nfs/dbraw/zinc/34/17/89/565341789.db2.gz AAOVKKUBVLHQJG-UHFFFAOYSA-N -1 3 380.491 2.822 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCc1cnc(SC2CCCC2)nc1 ZINC000593603591 565346171 /nfs/dbraw/zinc/34/61/71/565346171.db2.gz UJUROMFBSVCGKP-UHFFFAOYSA-N -1 3 394.547 2.965 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)s1 ZINC000619548287 565348346 /nfs/dbraw/zinc/34/83/46/565348346.db2.gz JEQMSMFLHKLPAR-LBPRGKRZSA-N -1 3 376.381 2.650 20 30 GFEDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000594801153 565423024 /nfs/dbraw/zinc/42/30/24/565423024.db2.gz KBPQQHPFFFJCGA-LBPRGKRZSA-N -1 3 387.299 2.804 20 30 GFEDHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594866523 565432768 /nfs/dbraw/zinc/43/27/68/565432768.db2.gz QXGWCZVVDQIMDI-INIZCTEOSA-N -1 3 384.454 2.651 20 30 GFEDHM Cc1cc(S(N)(=O)=O)oc1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000597180503 565553952 /nfs/dbraw/zinc/55/39/52/565553952.db2.gz PYADIMLSJIGBPI-SNVBAGLBSA-N -1 3 379.463 2.740 20 30 GFEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000609382907 566038341 /nfs/dbraw/zinc/03/83/41/566038341.db2.gz WXVLNRBAKWWJAR-SNVBAGLBSA-N -1 3 381.504 2.900 20 30 GFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000657036346 566211034 /nfs/dbraw/zinc/21/10/34/566211034.db2.gz FBEJILAYDWPXJN-DOMZBBRYSA-N -1 3 375.487 2.642 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1nc(C2CC2)no1 ZINC000735418476 598846453 /nfs/dbraw/zinc/84/64/53/598846453.db2.gz FRBHLNARTQUCBN-UHFFFAOYSA-N -1 3 393.451 2.665 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCc1nc(C2CC2)no1 ZINC000735418476 598846454 /nfs/dbraw/zinc/84/64/54/598846454.db2.gz FRBHLNARTQUCBN-UHFFFAOYSA-N -1 3 393.451 2.665 20 30 GFEDHM CCCOc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736493915 598916397 /nfs/dbraw/zinc/91/63/97/598916397.db2.gz YIIWXGRANCZXOK-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM CCCOc1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736493915 598916398 /nfs/dbraw/zinc/91/63/98/598916398.db2.gz YIIWXGRANCZXOK-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736235907 598920566 /nfs/dbraw/zinc/92/05/66/598920566.db2.gz PUKKHQRHKBEOKI-DIFFPNOSSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000736235907 598920569 /nfs/dbraw/zinc/92/05/69/598920569.db2.gz PUKKHQRHKBEOKI-DIFFPNOSSA-N -1 3 387.403 2.585 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1-c1nnn[n-]1 ZINC000737719524 598920776 /nfs/dbraw/zinc/92/07/76/598920776.db2.gz RCTQURUVMAETQH-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1-c1nn[n-]n1 ZINC000737719524 598920777 /nfs/dbraw/zinc/92/07/77/598920777.db2.gz RCTQURUVMAETQH-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM CCOc1cc(C#N)ccc1OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736628233 598937832 /nfs/dbraw/zinc/93/78/32/598937832.db2.gz UVDQFINGBRIYFZ-UHFFFAOYSA-N -1 3 381.392 2.603 20 30 GFEDHM CCOc1cc(C#N)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736628233 598937833 /nfs/dbraw/zinc/93/78/33/598937833.db2.gz UVDQFINGBRIYFZ-UHFFFAOYSA-N -1 3 381.392 2.603 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735506922 599023140 /nfs/dbraw/zinc/02/31/40/599023140.db2.gz YHZBXEARUFHIPX-CQSZACIVSA-N -1 3 376.420 2.677 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735506922 599023142 /nfs/dbraw/zinc/02/31/42/599023142.db2.gz YHZBXEARUFHIPX-CQSZACIVSA-N -1 3 376.420 2.677 20 30 GFEDHM N#Cc1ccsc1C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737727992 599027145 /nfs/dbraw/zinc/02/71/45/599027145.db2.gz GPNCBXNUQVMKRJ-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM N#Cc1ccsc1C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737727992 599027147 /nfs/dbraw/zinc/02/71/47/599027147.db2.gz GPNCBXNUQVMKRJ-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822204633 599073888 /nfs/dbraw/zinc/07/38/88/599073888.db2.gz VFMOOKRKNFELQR-UHFFFAOYSA-N -1 3 377.358 2.907 20 30 GFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822204633 599073890 /nfs/dbraw/zinc/07/38/90/599073890.db2.gz VFMOOKRKNFELQR-UHFFFAOYSA-N -1 3 377.358 2.907 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737549209 599194140 /nfs/dbraw/zinc/19/41/40/599194140.db2.gz TWMRIWKLGPCZBN-UHFFFAOYSA-N -1 3 384.359 2.554 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737549209 599194143 /nfs/dbraw/zinc/19/41/43/599194143.db2.gz TWMRIWKLGPCZBN-UHFFFAOYSA-N -1 3 384.359 2.554 20 30 GFEDHM C=CCNc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NCCC)s1 ZINC000819751284 607323645 /nfs/dbraw/zinc/32/36/45/607323645.db2.gz SXCJMRDMBKPBGX-UHFFFAOYSA-N -1 3 384.469 2.995 20 30 GFEDHM N#Cc1ccc(NC(=O)C2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737716083 598247489 /nfs/dbraw/zinc/24/74/89/598247489.db2.gz LCXMXVUHPNWKFO-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1OC ZINC000737080684 598377435 /nfs/dbraw/zinc/37/74/35/598377435.db2.gz GDVGUCZJPRLXDJ-VURMDHGXSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1OC ZINC000737080684 598377436 /nfs/dbraw/zinc/37/74/36/598377436.db2.gz GDVGUCZJPRLXDJ-VURMDHGXSA-N -1 3 379.420 2.836 20 30 GFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CNc1ccc(C#N)cc1 ZINC000735906748 598382837 /nfs/dbraw/zinc/38/28/37/598382837.db2.gz VUSQKRKIOCNHMK-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CNc1ccc(C#N)cc1 ZINC000735906748 598382838 /nfs/dbraw/zinc/38/28/38/598382838.db2.gz VUSQKRKIOCNHMK-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735380277 598432061 /nfs/dbraw/zinc/43/20/61/598432061.db2.gz IDBPRQLVUDMKRC-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735380277 598432063 /nfs/dbraw/zinc/43/20/63/598432063.db2.gz IDBPRQLVUDMKRC-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000737711876 598444781 /nfs/dbraw/zinc/44/47/81/598444781.db2.gz MLWVXTPUGDYZCH-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000737711876 598444782 /nfs/dbraw/zinc/44/47/82/598444782.db2.gz MLWVXTPUGDYZCH-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736185882 598486374 /nfs/dbraw/zinc/48/63/74/598486374.db2.gz WHDAGCNKNNKOPU-LBPRGKRZSA-N -1 3 379.424 2.701 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736185882 598486376 /nfs/dbraw/zinc/48/63/76/598486376.db2.gz WHDAGCNKNNKOPU-LBPRGKRZSA-N -1 3 379.424 2.701 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736167009 598490012 /nfs/dbraw/zinc/49/00/12/598490012.db2.gz CDZYLVFJAZDNBH-GFCCVEGCSA-N -1 3 379.424 2.701 20 30 GFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736167009 598490014 /nfs/dbraw/zinc/49/00/14/598490014.db2.gz CDZYLVFJAZDNBH-GFCCVEGCSA-N -1 3 379.424 2.701 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736511269 598547835 /nfs/dbraw/zinc/54/78/35/598547835.db2.gz CBEONQAJTUQDJH-ZDUSSCGKSA-N -1 3 380.408 2.660 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737722403 598559982 /nfs/dbraw/zinc/55/99/82/598559982.db2.gz URUMTLMNPVGFFZ-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737722403 598559984 /nfs/dbraw/zinc/55/99/84/598559984.db2.gz URUMTLMNPVGFFZ-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000821165576 607363688 /nfs/dbraw/zinc/36/36/88/607363688.db2.gz VDAJJMUCCAALNQ-CYBMUJFWSA-N -1 3 393.451 2.970 20 30 GFEDHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000821165576 607363690 /nfs/dbraw/zinc/36/36/90/607363690.db2.gz VDAJJMUCCAALNQ-CYBMUJFWSA-N -1 3 393.451 2.970 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000737058985 598656085 /nfs/dbraw/zinc/65/60/85/598656085.db2.gz QPXKFOFYYQSFJQ-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000737058985 598656087 /nfs/dbraw/zinc/65/60/87/598656087.db2.gz QPXKFOFYYQSFJQ-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735693088 598691335 /nfs/dbraw/zinc/69/13/35/598691335.db2.gz WGFYCRKVZJDLQU-GOSISDBHSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735693088 598691337 /nfs/dbraw/zinc/69/13/37/598691337.db2.gz WGFYCRKVZJDLQU-GOSISDBHSA-N -1 3 376.420 2.724 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000735443056 598700903 /nfs/dbraw/zinc/70/09/03/598700903.db2.gz NOTBJIHDVPJMPW-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000735443056 598700905 /nfs/dbraw/zinc/70/09/05/598700905.db2.gz NOTBJIHDVPJMPW-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM C=CCNC(=O)CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000735431664 598703440 /nfs/dbraw/zinc/70/34/40/598703440.db2.gz HXLLOLFBQWPKTI-UHFFFAOYSA-N -1 3 380.427 2.623 20 30 GFEDHM C=CCNC(=O)CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000735431664 598703441 /nfs/dbraw/zinc/70/34/41/598703441.db2.gz HXLLOLFBQWPKTI-UHFFFAOYSA-N -1 3 380.427 2.623 20 30 GFEDHM Cc1oc(NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c(-c2nnn[n-]2)c1C ZINC000822548037 607366231 /nfs/dbraw/zinc/36/62/31/607366231.db2.gz DQCOTJPHHQRYOI-UHFFFAOYSA-N -1 3 393.451 2.797 20 30 GFEDHM Cc1oc(NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c(-c2nn[n-]n2)c1C ZINC000822548037 607366233 /nfs/dbraw/zinc/36/62/33/607366233.db2.gz DQCOTJPHHQRYOI-UHFFFAOYSA-N -1 3 393.451 2.797 20 30 GFEDHM N#Cc1cc(Cl)ccc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737706069 598796703 /nfs/dbraw/zinc/79/67/03/598796703.db2.gz VUWTXOQUTLUXBT-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1cc(Cl)ccc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737706069 598796704 /nfs/dbraw/zinc/79/67/04/598796704.db2.gz VUWTXOQUTLUXBT-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000737718288 598796902 /nfs/dbraw/zinc/79/69/02/598796902.db2.gz NHXFWBDONGOCDW-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1ccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000737718288 598796904 /nfs/dbraw/zinc/79/69/04/598796904.db2.gz NHXFWBDONGOCDW-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1ccc(-n2nccc2NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737708952 598807865 /nfs/dbraw/zinc/80/78/65/598807865.db2.gz IEWOMHDMCNQJOB-YFHOEESVSA-N -1 3 382.387 2.576 20 30 GFEDHM N#Cc1ccc(-n2nccc2NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737708952 598807867 /nfs/dbraw/zinc/80/78/67/598807867.db2.gz IEWOMHDMCNQJOB-YFHOEESVSA-N -1 3 382.387 2.576 20 30 GFEDHM N#Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)o1 ZINC000822825667 599311541 /nfs/dbraw/zinc/31/15/41/599311541.db2.gz KUOPYVKYUCHMAJ-QPEQYQDCSA-N -1 3 380.414 2.737 20 30 GFEDHM N#Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)o1 ZINC000822825667 599311542 /nfs/dbraw/zinc/31/15/42/599311542.db2.gz KUOPYVKYUCHMAJ-QPEQYQDCSA-N -1 3 380.414 2.737 20 30 GFEDHM C[C@H](SCC(=O)NCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189223 599330141 /nfs/dbraw/zinc/33/01/41/599330141.db2.gz OOISYRGZYZMHGI-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@H](SCC(=O)NCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189223 599330144 /nfs/dbraw/zinc/33/01/44/599330144.db2.gz OOISYRGZYZMHGI-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM N#CC1(C(=O)Nc2nnc(SCc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000737679211 599370826 /nfs/dbraw/zinc/37/08/26/599370826.db2.gz OEEAVIFRLAFVSM-UHFFFAOYSA-N -1 3 398.477 2.643 20 30 GFEDHM N#CC1(C(=O)Nc2nnc(SCc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000737679211 599370828 /nfs/dbraw/zinc/37/08/28/599370828.db2.gz OEEAVIFRLAFVSM-UHFFFAOYSA-N -1 3 398.477 2.643 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)N(C)C2(C#N)CCCCC2)cc1-c1nnn[n-]1 ZINC000820173936 607373850 /nfs/dbraw/zinc/37/38/50/607373850.db2.gz NPEUMQIRELUGPG-UHFFFAOYSA-N -1 3 397.483 2.751 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)N(C)C2(C#N)CCCCC2)cc1-c1nn[n-]n1 ZINC000820173936 607373852 /nfs/dbraw/zinc/37/38/52/607373852.db2.gz NPEUMQIRELUGPG-UHFFFAOYSA-N -1 3 397.483 2.751 20 30 GFEDHM C=CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1cccc(C#N)c1 ZINC000819745419 599566565 /nfs/dbraw/zinc/56/65/65/599566565.db2.gz BZMOHQDHKKQCOI-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM C=CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)Cc1cccc(C#N)c1 ZINC000819745419 599566568 /nfs/dbraw/zinc/56/65/68/599566568.db2.gz BZMOHQDHKKQCOI-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM N#Cc1cccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000822837335 599652407 /nfs/dbraw/zinc/65/24/07/599652407.db2.gz KEZHKDOWGFVFSM-CMDGGOBGSA-N -1 3 399.370 2.545 20 30 GFEDHM N#Cc1cccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000822837335 599652408 /nfs/dbraw/zinc/65/24/08/599652408.db2.gz KEZHKDOWGFVFSM-CMDGGOBGSA-N -1 3 399.370 2.545 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826185439 607393211 /nfs/dbraw/zinc/39/32/11/607393211.db2.gz KEFGVHBCOBODKV-UHFFFAOYSA-N -1 3 375.392 2.558 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000826185439 607393212 /nfs/dbraw/zinc/39/32/12/607393212.db2.gz KEFGVHBCOBODKV-UHFFFAOYSA-N -1 3 375.392 2.558 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000820161628 607398579 /nfs/dbraw/zinc/39/85/79/607398579.db2.gz YYJDMVNZFLOAJF-ZDUSSCGKSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000820161628 607398580 /nfs/dbraw/zinc/39/85/80/607398580.db2.gz YYJDMVNZFLOAJF-ZDUSSCGKSA-N -1 3 392.419 2.932 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)[C@H](C)C2)cc1 ZINC000737693033 600567972 /nfs/dbraw/zinc/56/79/72/600567972.db2.gz ICTQAWOCZVBCBJ-QRWLVFNGSA-N -1 3 393.443 2.681 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)CN(CCC(=O)[O-])C2CCOCC2)cc1C ZINC000832935456 601306585 /nfs/dbraw/zinc/30/65/85/601306585.db2.gz LWEXNULVWKRVME-UHFFFAOYSA-N -1 3 387.480 2.506 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739009919 602377510 /nfs/dbraw/zinc/37/75/10/602377510.db2.gz MUDJAXXWVKNULC-YDHLFZDLSA-N -1 3 386.477 2.983 20 30 GFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833939788 605583635 /nfs/dbraw/zinc/58/36/35/605583635.db2.gz ARYFUBIQJISVDR-CABCVRRESA-N -1 3 392.419 2.575 20 30 GFEDHM C[C@H](Oc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1)C(=O)[O-] ZINC000833542131 605730965 /nfs/dbraw/zinc/73/09/65/605730965.db2.gz TXMHSYKTMJWTER-YWZLYKJASA-N -1 3 393.443 2.695 20 30 GFEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833959941 606012909 /nfs/dbraw/zinc/01/29/09/606012909.db2.gz DZQMVYXYHBFXJI-ZDUSSCGKSA-N -1 3 375.344 2.681 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822801982 606572515 /nfs/dbraw/zinc/57/25/15/606572515.db2.gz SQXCLUFMWRFAGG-LLVKDONJSA-N -1 3 394.338 2.821 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822801982 606572516 /nfs/dbraw/zinc/57/25/16/606572516.db2.gz SQXCLUFMWRFAGG-LLVKDONJSA-N -1 3 394.338 2.821 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Sc1ccccn1 ZINC000819743195 606635909 /nfs/dbraw/zinc/63/59/09/606635909.db2.gz FLIVBNGYATZNPC-CQSZACIVSA-N -1 3 380.477 2.957 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Sc1ccccn1 ZINC000819743195 606635910 /nfs/dbraw/zinc/63/59/10/606635910.db2.gz FLIVBNGYATZNPC-CQSZACIVSA-N -1 3 380.477 2.957 20 30 GFEDHM N#CCOc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822810637 606708358 /nfs/dbraw/zinc/70/83/58/606708358.db2.gz KECWNNACLMTBHG-UHFFFAOYSA-N -1 3 392.354 2.570 20 30 GFEDHM N#CCOc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822810637 606708360 /nfs/dbraw/zinc/70/83/60/606708360.db2.gz KECWNNACLMTBHG-UHFFFAOYSA-N -1 3 392.354 2.570 20 30 GFEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000822159506 606793509 /nfs/dbraw/zinc/79/35/09/606793509.db2.gz AJZSUQVQIZLHDR-UHFFFAOYSA-N -1 3 397.398 2.908 20 30 GFEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000822159506 606793511 /nfs/dbraw/zinc/79/35/11/606793511.db2.gz AJZSUQVQIZLHDR-UHFFFAOYSA-N -1 3 397.398 2.908 20 30 GFEDHM COc1ccc(OC)c(C=NOCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821843190 606837732 /nfs/dbraw/zinc/83/77/32/606837732.db2.gz ZPYOXZCJYKYJEI-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM COc1ccc(OC)c(C=NOCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821843190 606837733 /nfs/dbraw/zinc/83/77/33/606837733.db2.gz ZPYOXZCJYKYJEI-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM Cc1nc2sccn2c1C=NOCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822466826 606839519 /nfs/dbraw/zinc/83/95/19/606839519.db2.gz CHOVNZNMRQKUJP-UHFFFAOYSA-N -1 3 383.437 2.704 20 30 GFEDHM Cc1nc2sccn2c1C=NOCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822466826 606839520 /nfs/dbraw/zinc/83/95/20/606839520.db2.gz CHOVNZNMRQKUJP-UHFFFAOYSA-N -1 3 383.437 2.704 20 30 GFEDHM C=C(C)CN(CC)C(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819722556 606842518 /nfs/dbraw/zinc/84/25/18/606842518.db2.gz MVDGMIKUAAYHEV-UHFFFAOYSA-N -1 3 375.498 2.793 20 30 GFEDHM C=C(C)CN(CC)C(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819722556 606842520 /nfs/dbraw/zinc/84/25/20/606842520.db2.gz MVDGMIKUAAYHEV-UHFFFAOYSA-N -1 3 375.498 2.793 20 30 GFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819745613 606884086 /nfs/dbraw/zinc/88/40/86/606884086.db2.gz MCDXAYZKQYTWCP-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819745613 606884087 /nfs/dbraw/zinc/88/40/87/606884087.db2.gz MCDXAYZKQYTWCP-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822837329 606945384 /nfs/dbraw/zinc/94/53/84/606945384.db2.gz KBTAZWPYMGRHFX-KTKRTIGZSA-N -1 3 375.388 2.764 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822837329 606945385 /nfs/dbraw/zinc/94/53/85/606945385.db2.gz KBTAZWPYMGRHFX-KTKRTIGZSA-N -1 3 375.388 2.764 20 30 GFEDHM C#CCCCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819693222 606955318 /nfs/dbraw/zinc/95/53/18/606955318.db2.gz OURXIBJVYUKJFG-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM C#CCCCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819693222 606955320 /nfs/dbraw/zinc/95/53/20/606955320.db2.gz OURXIBJVYUKJFG-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1cc(C)ccc1F ZINC000819742847 607010252 /nfs/dbraw/zinc/01/02/52/607010252.db2.gz ATCYKYAGUOVITN-UHFFFAOYSA-N -1 3 381.411 2.908 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1cc(C)ccc1F ZINC000819742847 607010253 /nfs/dbraw/zinc/01/02/53/607010253.db2.gz ATCYKYAGUOVITN-UHFFFAOYSA-N -1 3 381.411 2.908 20 30 GFEDHM C=CCn1c(SCc2ccccc2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000819765080 607019191 /nfs/dbraw/zinc/01/91/91/607019191.db2.gz MXUUCRRYXWBFLJ-UHFFFAOYSA-N -1 3 376.449 2.999 20 30 GFEDHM C=CCn1c(SCc2ccccc2-c2nn[n-]n2)nnc1-c1ccccn1 ZINC000819765080 607019193 /nfs/dbraw/zinc/01/91/93/607019193.db2.gz MXUUCRRYXWBFLJ-UHFFFAOYSA-N -1 3 376.449 2.999 20 30 GFEDHM C#CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819709819 607023434 /nfs/dbraw/zinc/02/34/34/607023434.db2.gz QNJZDTNBVVMGAM-UHFFFAOYSA-N -1 3 377.404 2.675 20 30 GFEDHM C#CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819709819 607023435 /nfs/dbraw/zinc/02/34/35/607023435.db2.gz QNJZDTNBVVMGAM-UHFFFAOYSA-N -1 3 377.404 2.675 20 30 GFEDHM N#CCn1c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc2ccccc21 ZINC000822815710 607082979 /nfs/dbraw/zinc/08/29/79/607082979.db2.gz YDFSYMOKROVNCF-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM N#CCn1c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc2ccccc21 ZINC000822815710 607082981 /nfs/dbraw/zinc/08/29/81/607082981.db2.gz YDFSYMOKROVNCF-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821418081 607237517 /nfs/dbraw/zinc/23/75/17/607237517.db2.gz VQZHFQHZUPWICA-UHFFFAOYSA-N -1 3 392.419 2.933 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821418081 607237518 /nfs/dbraw/zinc/23/75/18/607237518.db2.gz VQZHFQHZUPWICA-UHFFFAOYSA-N -1 3 392.419 2.933 20 30 GFEDHM C=CCOCCCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819758749 607239457 /nfs/dbraw/zinc/23/94/57/607239457.db2.gz GVQKZDRKFALTNV-UHFFFAOYSA-N -1 3 397.229 2.526 20 30 GFEDHM C=CCOCCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819758749 607239456 /nfs/dbraw/zinc/23/94/56/607239456.db2.gz GVQKZDRKFALTNV-UHFFFAOYSA-N -1 3 397.229 2.526 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC[C@@H](C#N)CCC#N ZINC000825604671 607871398 /nfs/dbraw/zinc/87/13/98/607871398.db2.gz JFTPIPAULHEVFT-SNVBAGLBSA-N -1 3 391.229 2.850 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC[C@@H](C#N)CCC#N ZINC000825604671 607871399 /nfs/dbraw/zinc/87/13/99/607871399.db2.gz JFTPIPAULHEVFT-SNVBAGLBSA-N -1 3 391.229 2.850 20 30 GFEDHM C=CCCOCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823899361 607944689 /nfs/dbraw/zinc/94/46/89/607944689.db2.gz UEBCONGSMGRHTN-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=CCCOCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823899361 607944690 /nfs/dbraw/zinc/94/46/90/607944690.db2.gz UEBCONGSMGRHTN-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284106 608004439 /nfs/dbraw/zinc/00/44/39/608004439.db2.gz BLJYIYGCRZXWNW-UHFFFAOYSA-N -1 3 386.366 2.781 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284106 608004440 /nfs/dbraw/zinc/00/44/40/608004440.db2.gz BLJYIYGCRZXWNW-UHFFFAOYSA-N -1 3 386.366 2.781 20 30 GFEDHM N#Cc1cc2ccccc2nc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826384424 608052544 /nfs/dbraw/zinc/05/25/44/608052544.db2.gz VETQSHLJKKRBSW-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cc2ccccc2nc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826384424 608052545 /nfs/dbraw/zinc/05/25/45/608052545.db2.gz VETQSHLJKKRBSW-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](O)[C@H](C)c1ccc(C)cc1 ZINC000823909610 608196618 /nfs/dbraw/zinc/19/66/18/608196618.db2.gz KXYZBFMZMJVPMJ-OXQOHEQNSA-N -1 3 391.475 2.854 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](O)[C@H](C)c1ccc(C)cc1 ZINC000823909610 608196620 /nfs/dbraw/zinc/19/66/20/608196620.db2.gz KXYZBFMZMJVPMJ-OXQOHEQNSA-N -1 3 391.475 2.854 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC2=NO[C@H](C)C2)cc1 ZINC000826255331 608208614 /nfs/dbraw/zinc/20/86/14/608208614.db2.gz UHDVNFXMCMKNQU-GFCCVEGCSA-N -1 3 378.392 2.820 20 30 GFEDHM C#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000823861404 608303629 /nfs/dbraw/zinc/30/36/29/608303629.db2.gz HEHRYACONMEHIJ-UHFFFAOYSA-N -1 3 380.411 2.840 20 30 GFEDHM C#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000823861404 608303631 /nfs/dbraw/zinc/30/36/31/608303631.db2.gz HEHRYACONMEHIJ-UHFFFAOYSA-N -1 3 380.411 2.840 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2cccc(C#N)c2F)n1 ZINC000825559249 608395795 /nfs/dbraw/zinc/39/57/95/608395795.db2.gz FEOUPFNXWSGOOC-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2cccc(C#N)c2F)n1 ZINC000825559249 608395796 /nfs/dbraw/zinc/39/57/96/608395796.db2.gz FEOUPFNXWSGOOC-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM C[C@H]1CN(c2ccccc2C=[NH+][N-]c2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000824999582 608538498 /nfs/dbraw/zinc/53/84/98/608538498.db2.gz IBURCTQABAMJEY-LBPRGKRZSA-N -1 3 398.858 2.586 20 30 GFEDHM C[C@H]1CN(c2ccccc2C=[NH+][N-]c2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000824999582 608538499 /nfs/dbraw/zinc/53/84/99/608538499.db2.gz IBURCTQABAMJEY-LBPRGKRZSA-N -1 3 398.858 2.586 20 30 GFEDHM C=CCC(CC=C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823887979 608555927 /nfs/dbraw/zinc/55/59/27/608555927.db2.gz CIWFDWFWZTXDBK-UHFFFAOYSA-N -1 3 382.468 2.836 20 30 GFEDHM C=CCC(CC=C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823887979 608555928 /nfs/dbraw/zinc/55/59/28/608555928.db2.gz CIWFDWFWZTXDBK-UHFFFAOYSA-N -1 3 382.468 2.836 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823888677 608561763 /nfs/dbraw/zinc/56/17/63/608561763.db2.gz TUSYWXGKIQPSPL-CQSZACIVSA-N -1 3 395.488 2.932 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823888677 608561765 /nfs/dbraw/zinc/56/17/65/608561765.db2.gz TUSYWXGKIQPSPL-CQSZACIVSA-N -1 3 395.488 2.932 20 30 GFEDHM C#CCCCCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823841572 609134868 /nfs/dbraw/zinc/13/48/68/609134868.db2.gz PQFFILYTIITGOK-UHFFFAOYSA-N -1 3 375.816 2.586 20 30 GFEDHM C#CCCCCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823841572 609134870 /nfs/dbraw/zinc/13/48/70/609134870.db2.gz PQFFILYTIITGOK-UHFFFAOYSA-N -1 3 375.816 2.586 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824034035 609163541 /nfs/dbraw/zinc/16/35/41/609163541.db2.gz GFSVDFMGWMIUCP-ZDUSSCGKSA-N -1 3 389.419 2.968 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824034035 609163542 /nfs/dbraw/zinc/16/35/42/609163542.db2.gz GFSVDFMGWMIUCP-ZDUSSCGKSA-N -1 3 389.419 2.968 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824034731 609164187 /nfs/dbraw/zinc/16/41/87/609164187.db2.gz OCUSJWWKUJBTPS-LLVKDONJSA-N -1 3 381.371 2.618 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824034731 609164188 /nfs/dbraw/zinc/16/41/88/609164188.db2.gz OCUSJWWKUJBTPS-LLVKDONJSA-N -1 3 381.371 2.618 20 30 GFEDHM N#CC1(c2ccc(C(=O)Nc3ccnn3-c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826379954 609186903 /nfs/dbraw/zinc/18/69/03/609186903.db2.gz IEFDWLANAPQHQU-UHFFFAOYSA-N -1 3 396.414 2.860 20 30 GFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456700 609191388 /nfs/dbraw/zinc/19/13/88/609191388.db2.gz SLFXCIPEZDQKMY-OAQYLSRUSA-N -1 3 395.422 2.939 20 30 GFEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456700 609191391 /nfs/dbraw/zinc/19/13/91/609191391.db2.gz SLFXCIPEZDQKMY-OAQYLSRUSA-N -1 3 395.422 2.939 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])cc1OC ZINC000826178955 609271902 /nfs/dbraw/zinc/27/19/02/609271902.db2.gz SARGPLJRQKGDMG-XQRVVYSFSA-N -1 3 399.338 2.827 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])cc1OC ZINC000826178955 609271904 /nfs/dbraw/zinc/27/19/04/609271904.db2.gz SARGPLJRQKGDMG-XQRVVYSFSA-N -1 3 399.338 2.827 20 30 GFEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443044918 609449646 /nfs/dbraw/zinc/44/96/46/609449646.db2.gz QFVUULOWSQVIHN-UHFFFAOYSA-N -1 3 393.856 2.533 20 30 GFEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443044918 609449648 /nfs/dbraw/zinc/44/96/48/609449648.db2.gz QFVUULOWSQVIHN-UHFFFAOYSA-N -1 3 393.856 2.533 20 30 GFEDHM Cc1onc(CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C#N ZINC000826348069 609471233 /nfs/dbraw/zinc/47/12/33/609471233.db2.gz SGGIIRLAJGXZGG-UHFFFAOYSA-N -1 3 399.414 2.561 20 30 GFEDHM Cc1onc(CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C#N ZINC000826348069 609471236 /nfs/dbraw/zinc/47/12/36/609471236.db2.gz SGGIIRLAJGXZGG-UHFFFAOYSA-N -1 3 399.414 2.561 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000819892936 660272664 /nfs/dbraw/zinc/27/26/64/660272664.db2.gz NJVFHYKMPJJXKJ-ZANVPECISA-N -1 3 394.276 2.649 20 30 GFEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(Br)cc1[O-] ZINC000824926299 660405473 /nfs/dbraw/zinc/40/54/73/660405473.db2.gz FBCKWKQFGUQAKX-GFCCVEGCSA-N -1 3 388.269 2.527 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ncc(Br)s1 ZINC000829550053 660600305 /nfs/dbraw/zinc/60/03/05/660600305.db2.gz PVDMDUGBFBAPGT-UHFFFAOYSA-N -1 3 395.282 2.744 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1F ZINC000045527732 654669505 /nfs/dbraw/zinc/66/95/05/654669505.db2.gz SGUQACZUHBIGAU-UHFFFAOYSA-N -1 3 381.454 2.876 20 30 GFEDHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1F ZINC000121986995 654727016 /nfs/dbraw/zinc/72/70/16/654727016.db2.gz SUHVKRHGQWZLQF-UHFFFAOYSA-N -1 3 388.829 2.555 20 30 GFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000054157717 654757855 /nfs/dbraw/zinc/75/78/55/654757855.db2.gz QTYWFOMUDIKKSY-ZETCQYMHSA-N -1 3 382.077 2.650 20 30 GFEDHM CCN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000133299798 654959746 /nfs/dbraw/zinc/95/97/46/654959746.db2.gz UKSTUUUSGHUASB-UHFFFAOYSA-N -1 3 390.292 2.810 20 30 GFEDHM C=CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)c(F)c2)CC1 ZINC000093912951 655023468 /nfs/dbraw/zinc/02/34/68/655023468.db2.gz VBVJDFDSVZTGOF-UHFFFAOYSA-N -1 3 390.502 2.564 20 30 GFEDHM C#CCCNC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000264898627 655473365 /nfs/dbraw/zinc/47/33/65/655473365.db2.gz BABQARUDJLNQJH-UHFFFAOYSA-N -1 3 377.293 2.681 20 30 GFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCSC ZINC000744535282 655741625 /nfs/dbraw/zinc/74/16/25/655741625.db2.gz QVLHDLZRBAHVGN-AWEZNQCLSA-N -1 3 384.523 2.580 20 30 GFEDHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)o1 ZINC000755367587 655882615 /nfs/dbraw/zinc/88/26/15/655882615.db2.gz MBUQMYJVUMYMFE-UHFFFAOYSA-N -1 3 383.769 2.510 20 30 GFEDHM COc1cc(C=NO[C@@H]2CCCCO2)cc(I)c1[O-] ZINC000755813125 655889355 /nfs/dbraw/zinc/88/93/55/655889355.db2.gz CXSJDKGGDLMRFP-GFCCVEGCSA-N -1 3 377.178 2.883 20 30 GFEDHM Cc1ccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000756328563 655898461 /nfs/dbraw/zinc/89/84/61/655898461.db2.gz VWESHMPESVDPQH-LLVKDONJSA-N -1 3 378.475 2.617 20 30 GFEDHM CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1[O-] ZINC000756834148 655905925 /nfs/dbraw/zinc/90/59/25/655905925.db2.gz KWJWZLVMXDUTTN-UHFFFAOYSA-N -1 3 383.267 2.998 20 30 GFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cc2n(n1)CCCO2 ZINC000763928138 656096778 /nfs/dbraw/zinc/09/67/78/656096778.db2.gz AZSHFOIXWVGPCA-GFCCVEGCSA-N -1 3 379.203 2.934 20 30 GFEDHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)cs1 ZINC000766529860 656174668 /nfs/dbraw/zinc/17/46/68/656174668.db2.gz KDTRQAOMQWJBAG-UHFFFAOYSA-N -1 3 385.810 2.837 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)ccc1F ZINC000768595542 656243927 /nfs/dbraw/zinc/24/39/27/656243927.db2.gz CGTCNYMVTGYVHQ-GFCCVEGCSA-N -1 3 376.400 2.598 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000773055284 656397730 /nfs/dbraw/zinc/39/77/30/656397730.db2.gz LAABXVHVUCBRMD-VXGBXAGGSA-N -1 3 378.675 2.562 20 30 GFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ccnc(Br)c1 ZINC000774415154 656526924 /nfs/dbraw/zinc/52/69/24/656526924.db2.gz SELUMDLUBWDSSY-UHFFFAOYSA-N -1 3 380.133 2.660 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000804946286 659700575 /nfs/dbraw/zinc/70/05/75/659700575.db2.gz CDYZOWLMNTWIHQ-SSDOTTSWSA-N -1 3 384.082 2.793 20 30 GFEDHM Cc1cc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000806025544 659816663 /nfs/dbraw/zinc/81/66/63/659816663.db2.gz JMAMXQPHKOBLRE-NSHDSACASA-N -1 3 378.475 2.617 20 30 GFEDHM C#CCO[N-]C(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000812781788 660034448 /nfs/dbraw/zinc/03/44/48/660034448.db2.gz GAPTVTJOYFKLIM-UHFFFAOYSA-N -1 3 387.233 2.925 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@](C)(C(=O)OC)c1cccc(Br)c1 ZINC000813665901 660059512 /nfs/dbraw/zinc/05/95/12/660059512.db2.gz ZHTAKSDATOYUAY-HNNXBMFYSA-N -1 3 390.299 2.723 20 30 GFEDHM C=C(C)CO[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846538627 661555507 /nfs/dbraw/zinc/55/55/07/661555507.db2.gz KJRZRGHLZDBKAF-ZDUSSCGKSA-N -1 3 386.235 2.822 20 30 GFEDHM C=C(C)CO[N-]C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000846534672 661555652 /nfs/dbraw/zinc/55/56/52/661555652.db2.gz XDFDPTALMCKYTP-UHFFFAOYSA-N -1 3 376.272 2.627 20 30 GFEDHM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848136873 661627226 /nfs/dbraw/zinc/62/72/26/661627226.db2.gz SXCSHSXSHPNIQI-GXFFZTMASA-N -1 3 379.869 2.865 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CCCC1 ZINC000849469560 661732205 /nfs/dbraw/zinc/73/22/05/661732205.db2.gz HGMQWSNHLNMKKM-UHFFFAOYSA-N -1 3 383.944 2.972 20 30 GFEDHM COCCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000870142166 662675878 /nfs/dbraw/zinc/67/58/78/662675878.db2.gz GPHSREVLJJFKIY-AWEZNQCLSA-N -1 3 381.219 2.797 20 30 GFEDHM O=C(Nc1cc(F)c(Br)cc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000879463685 662926640 /nfs/dbraw/zinc/92/66/40/662926640.db2.gz MEIFKXZEHYQWAF-SECBINFHSA-N -1 3 380.601 2.743 20 30 GFEDHM C#CCC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000885838877 663099017 /nfs/dbraw/zinc/09/90/17/663099017.db2.gz VNCOQULUVKWQDW-UHFFFAOYSA-N -1 3 392.702 2.953 20 30 GFEDHM C=CCN1CCC(NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000908945068 664138222 /nfs/dbraw/zinc/13/82/22/664138222.db2.gz ADJHZDAKXLETOH-HNNXBMFYSA-N -1 3 396.285 2.524 20 30 GFEDHM CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cc(Cl)ccc1[O-] ZINC000916263839 664455438 /nfs/dbraw/zinc/45/54/38/664455438.db2.gz ZZEJWKAWHVLJCG-UHFFFAOYSA-N -1 3 383.813 2.965 20 30 GFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000040363154 551134363 /nfs/dbraw/zinc/13/43/63/551134363.db2.gz NEVJWGRWGBOCBQ-QMMMGPOBSA-N -1 3 382.077 2.792 20 30 GFEDHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000121775127 551242359 /nfs/dbraw/zinc/24/23/59/551242359.db2.gz YCCQRFMKBGXBII-JTQLQIEISA-N -1 3 378.372 2.587 20 30 GFEDHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151120270 551407383 /nfs/dbraw/zinc/40/73/83/551407383.db2.gz VQKYXFUVVWYBNT-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM C=CCCC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000179785255 552203045 /nfs/dbraw/zinc/20/30/45/552203045.db2.gz LAWXXIYLYJQGPL-JTQLQIEISA-N -1 3 395.344 2.650 20 30 GFEDHM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cc([O-])ccc1Br ZINC000180589498 552230494 /nfs/dbraw/zinc/23/04/94/552230494.db2.gz OYMIMNWQABQGCF-LBPRGKRZSA-N -1 3 388.269 2.527 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000183570402 552313466 /nfs/dbraw/zinc/31/34/66/552313466.db2.gz AKBTYBDBDFRHMN-UHFFFAOYSA-N -1 3 381.807 2.517 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185153570 552355813 /nfs/dbraw/zinc/35/58/13/552355813.db2.gz ANCJLTBSZXAZRF-GFCCVEGCSA-N -1 3 397.287 2.817 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccccc1 ZINC000248557911 553131093 /nfs/dbraw/zinc/13/10/93/553131093.db2.gz LXXYGRUEYVGTFN-SJLPKXTDSA-N -1 3 375.881 2.935 20 30 GFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)OCC ZINC000420741324 563281791 /nfs/dbraw/zinc/28/17/91/563281791.db2.gz BFPHVFWLLAKXQX-NSHDSACASA-N -1 3 381.372 2.603 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000425176517 563408192 /nfs/dbraw/zinc/40/81/92/563408192.db2.gz AGGFBQHARBEIDV-ONGXEEELSA-N -1 3 380.691 2.972 20 30 GFEDHM COCCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428255253 563486307 /nfs/dbraw/zinc/48/63/07/563486307.db2.gz JMPMPEYMOVWHMR-ZDUSSCGKSA-N -1 3 377.491 2.731 20 30 GFEDHM COc1cc(Br)ccc1[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428395885 563489682 /nfs/dbraw/zinc/48/96/82/563489682.db2.gz CWBABUUZOBRIQH-SNVBAGLBSA-N -1 3 396.266 2.764 20 30 GFEDHM Cc1ccc(NC(=O)N2CCN(C(=O)c3csc(=O)[n-]3)CC2)cc1Cl ZINC000329894763 563490678 /nfs/dbraw/zinc/49/06/78/563490678.db2.gz BPUGTYXNJVVJNP-UHFFFAOYSA-N -1 3 380.857 2.814 20 30 GFEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C#N)CSC ZINC000285101036 563503150 /nfs/dbraw/zinc/50/31/50/563503150.db2.gz NMUJIDANEJBPDT-HNNXBMFYSA-N -1 3 392.930 2.679 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000333243921 563625497 /nfs/dbraw/zinc/62/54/97/563625497.db2.gz IYFRCJCWFVRRNI-GDBMZVCRSA-N -1 3 381.910 2.997 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3n2C(F)F)s1 ZINC000435429177 563650513 /nfs/dbraw/zinc/65/05/13/563650513.db2.gz WHPLXCYEKKTENG-UHFFFAOYSA-N -1 3 382.417 2.886 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000435597265 563654274 /nfs/dbraw/zinc/65/42/74/563654274.db2.gz KTSQPJOPBXRVCY-QMTHXVAHSA-N -1 3 378.263 2.848 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nccs2)c(C(F)(F)F)c1 ZINC000290185178 563700672 /nfs/dbraw/zinc/70/06/72/563700672.db2.gz RJYUHVBIEVLBLY-UHFFFAOYSA-N -1 3 375.397 2.945 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCN1CCc2ccccc2C1 ZINC000443099045 563791667 /nfs/dbraw/zinc/79/16/67/563791667.db2.gz QVIRDUQVLLWKDZ-UHFFFAOYSA-N -1 3 375.881 2.548 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000367185855 563834442 /nfs/dbraw/zinc/83/44/42/563834442.db2.gz KGCCGIWBWQKQEP-CYBMUJFWSA-N -1 3 381.548 2.872 20 30 GFEDHM C=CCCCN(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000510377328 564331929 /nfs/dbraw/zinc/33/19/29/564331929.db2.gz KNZSNMQJVMEDRB-UHFFFAOYSA-N -1 3 394.324 2.879 20 30 GFEDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC ZINC000451682315 564339612 /nfs/dbraw/zinc/33/96/12/564339612.db2.gz QXAGCIIXNXVYPK-MFKMUULPSA-N -1 3 375.288 2.660 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)OCCc2sccc21 ZINC000566908090 564348545 /nfs/dbraw/zinc/34/85/45/564348545.db2.gz WCLRDRDTJZWHLR-QGZVFWFLSA-N -1 3 380.466 2.666 20 30 GFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000452045610 564387015 /nfs/dbraw/zinc/38/70/15/564387015.db2.gz UFBQCUDWQAUSMW-UHFFFAOYSA-N -1 3 393.259 2.919 20 30 GFEDHM N#Cc1ccc(CNCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000512856280 564414374 /nfs/dbraw/zinc/41/43/74/564414374.db2.gz MGQVMXDPHYNTCY-UHFFFAOYSA-N -1 3 390.317 2.995 20 30 GFEDHM N#Cc1cnccc1[N-]C(=O)c1ncc(Br)cc1Br ZINC000546779035 564467714 /nfs/dbraw/zinc/46/77/14/564467714.db2.gz VFASCIDADFQVTL-UHFFFAOYSA-N -1 3 382.015 2.547 20 30 GFEDHM C=CCCS(=O)(=O)[N-][C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000480863638 564492643 /nfs/dbraw/zinc/49/26/43/564492643.db2.gz GDRSMVUUBGPITD-AWEZNQCLSA-N -1 3 380.293 2.963 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000516117277 564494061 /nfs/dbraw/zinc/49/40/61/564494061.db2.gz BBEQFJGIRFJUBW-QAPCUYQASA-N -1 3 376.865 2.656 20 30 GFEDHM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1ccc(C(F)(F)F)cc1F ZINC000548699028 564570880 /nfs/dbraw/zinc/57/08/80/564570880.db2.gz YNGORTLAXKBWQB-UHFFFAOYSA-N -1 3 393.240 2.725 20 30 GFEDHM CCOc1ccccc1[C@](N)(C(=O)[N-]CC(F)(F)C(F)F)C(F)(F)F ZINC000485456477 564615456 /nfs/dbraw/zinc/61/54/56/564615456.db2.gz SNLRNIXBXFKZCC-ZDUSSCGKSA-N -1 3 376.272 2.818 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@@H]1C1CC1 ZINC000575235174 564694417 /nfs/dbraw/zinc/69/44/17/564694417.db2.gz LIEOVEHBBDTGQF-HZPDHXFCSA-N -1 3 399.310 2.804 20 30 GFEDHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553839074 564739598 /nfs/dbraw/zinc/73/95/98/564739598.db2.gz GZQVFKXFBMIMJC-OAHLLOKOSA-N -1 3 389.315 2.786 20 30 GFEDHM CCc1ccc([C@@H](C#N)NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000489950024 564758501 /nfs/dbraw/zinc/75/85/01/564758501.db2.gz CSDOZVGADLXXPF-CYBMUJFWSA-N -1 3 397.909 2.623 20 30 GFEDHM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000580619821 564766957 /nfs/dbraw/zinc/76/69/57/564766957.db2.gz SYTIJDAJFIPPAF-UHFFFAOYSA-N -1 3 382.438 2.682 20 30 GFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000580680608 564769591 /nfs/dbraw/zinc/76/95/91/564769591.db2.gz BJJBWYQLUUVDFM-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000581017314 564783894 /nfs/dbraw/zinc/78/38/94/564783894.db2.gz HDCQTYCRVUAQAY-UHFFFAOYSA-N -1 3 383.189 2.942 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(C(=O)Nc2ccccc2)CC1 ZINC000494556256 564833266 /nfs/dbraw/zinc/83/32/66/564833266.db2.gz CULUTWZIYCCSRI-UHFFFAOYSA-N -1 3 375.837 2.661 20 30 GFEDHM C=CC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000561568081 565002772 /nfs/dbraw/zinc/00/27/72/565002772.db2.gz PAXDHVICRMEQJP-JTQLQIEISA-N -1 3 380.297 2.536 20 30 GFEDHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000503216898 565013569 /nfs/dbraw/zinc/01/35/69/565013569.db2.gz DHQKVRPBSRWHDO-AWEZNQCLSA-N -1 3 378.837 2.502 20 30 GFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1cccs1 ZINC000589235692 565157973 /nfs/dbraw/zinc/15/79/73/565157973.db2.gz FOPDLUHLYWSACM-INIZCTEOSA-N -1 3 382.482 2.938 20 30 GFEDHM CCOc1c(OC)cc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593538414 565338984 /nfs/dbraw/zinc/33/89/84/565338984.db2.gz NKXNDSGQKQACAH-UHFFFAOYSA-N -1 3 382.463 2.514 20 30 GFEDHM COc1cccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccsc3C#N)C2)c1 ZINC000593545998 565340546 /nfs/dbraw/zinc/34/05/46/565340546.db2.gz AYRXNCCCYDJACC-CYBMUJFWSA-N -1 3 377.491 2.576 20 30 GFEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)OC ZINC000619506534 565345727 /nfs/dbraw/zinc/34/57/27/565345727.db2.gz XYILOLNCORNOCX-LBPRGKRZSA-N -1 3 396.292 2.633 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000594765542 565416489 /nfs/dbraw/zinc/41/64/89/565416489.db2.gz IUDKFSYSVOLHIL-ZDUSSCGKSA-N -1 3 378.397 2.673 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000594818521 565424755 /nfs/dbraw/zinc/42/47/55/565424755.db2.gz KMNHKPPVOYPBLK-OAHLLOKOSA-N -1 3 376.400 2.868 20 30 GFEDHM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1F ZINC000644281823 565470261 /nfs/dbraw/zinc/47/02/61/565470261.db2.gz YIRJTXXKUFZGJF-KWQFWETISA-N -1 3 395.296 2.969 20 30 GFEDHM C=CCOc1c(Br)cc(CN[C@](C)(COC)C(=O)[O-])cc1OC ZINC000671162945 565754021 /nfs/dbraw/zinc/75/40/21/565754021.db2.gz IWHLHQMOUGMKGN-MRXNPFEDSA-N -1 3 388.258 2.602 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1cccnc1 ZINC000603377667 565901275 /nfs/dbraw/zinc/90/12/75/565901275.db2.gz WXFAVEPXERIRGP-ZFWWWQNUSA-N -1 3 392.278 2.798 20 30 GFEDHM O=C(CC(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[N-]CC(F)(F)F ZINC000679444475 566041756 /nfs/dbraw/zinc/04/17/56/566041756.db2.gz WTFPELZBCLGLHB-BQBZGAKWSA-N -1 3 388.230 2.644 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)nn1 ZINC000632635815 566052255 /nfs/dbraw/zinc/05/22/55/566052255.db2.gz NJGKQOZYKSZIQJ-UHFFFAOYSA-N -1 3 375.281 2.781 20 30 GFEDHM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1ccc(F)cc1C(F)(F)F ZINC000679994740 566060039 /nfs/dbraw/zinc/06/00/39/566060039.db2.gz YEDYZNQSSKXCKL-UHFFFAOYSA-N -1 3 393.240 2.725 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(OC)ccc2Br)CCOCC1 ZINC000657129176 566227331 /nfs/dbraw/zinc/22/73/31/566227331.db2.gz GAIBMJLQHMGOIB-UHFFFAOYSA-N -1 3 390.299 2.861 20 30 GFEDHM Fc1ccc(Br)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822761430 607252748 /nfs/dbraw/zinc/25/27/48/607252748.db2.gz MIWREYFPBXJWBZ-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Fc1ccc(Br)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822761430 607252749 /nfs/dbraw/zinc/25/27/49/607252749.db2.gz MIWREYFPBXJWBZ-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1-c1nnn[n-]1 ZINC000737717064 598914362 /nfs/dbraw/zinc/91/43/62/598914362.db2.gz YIDVYHHSEJCWRO-GFCCVEGCSA-N -1 3 380.795 2.582 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1-c1nn[n-]n1 ZINC000737717064 598914364 /nfs/dbraw/zinc/91/43/64/598914364.db2.gz YIDVYHHSEJCWRO-GFCCVEGCSA-N -1 3 380.795 2.582 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(F)ccc2Br)ccc1-c1nnn[n-]1 ZINC000737707656 598923702 /nfs/dbraw/zinc/92/37/02/598923702.db2.gz AZXCIXSWMOPOPD-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(F)ccc2Br)ccc1-c1nn[n-]n1 ZINC000737707656 598923704 /nfs/dbraw/zinc/92/37/04/598923704.db2.gz AZXCIXSWMOPOPD-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)ccc1-c1nnn[n-]1 ZINC000737709418 598926735 /nfs/dbraw/zinc/92/67/35/598926735.db2.gz NYQJPQYZPNEHFV-UHFFFAOYSA-N -1 3 388.435 2.766 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)ccc1-c1nn[n-]n1 ZINC000737709418 598926736 /nfs/dbraw/zinc/92/67/36/598926736.db2.gz NYQJPQYZPNEHFV-UHFFFAOYSA-N -1 3 388.435 2.766 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(Cl)ccc2n1C ZINC000819772749 607254258 /nfs/dbraw/zinc/25/42/58/607254258.db2.gz KZCSUQVVWVNVDE-UHFFFAOYSA-N -1 3 380.843 2.921 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nc2cc(Cl)ccc2n1C ZINC000819772749 607254259 /nfs/dbraw/zinc/25/42/59/607254259.db2.gz KZCSUQVVWVNVDE-UHFFFAOYSA-N -1 3 380.843 2.921 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1ccc(-c2ccc(C#N)cc2)n1 ZINC000737032115 598979298 /nfs/dbraw/zinc/97/92/98/598979298.db2.gz JQNGRUNXPJEPON-UHFFFAOYSA-N -1 3 387.403 2.689 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1ccc(-c2ccc(C#N)cc2)n1 ZINC000737032115 598979300 /nfs/dbraw/zinc/97/93/00/598979300.db2.gz JQNGRUNXPJEPON-UHFFFAOYSA-N -1 3 387.403 2.689 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc2c1OCCO2 ZINC000821712047 599113436 /nfs/dbraw/zinc/11/34/36/599113436.db2.gz CCDNAZOCDJSASB-RIYZIHGNSA-N -1 3 390.399 2.859 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc2c1OCCO2 ZINC000821712047 599113437 /nfs/dbraw/zinc/11/34/37/599113437.db2.gz CCDNAZOCDJSASB-RIYZIHGNSA-N -1 3 390.399 2.859 20 30 GFEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1-n1cncn1 ZINC000822199160 599117247 /nfs/dbraw/zinc/11/72/47/599117247.db2.gz YOELUBHCLZUONY-CXUHLZMHSA-N -1 3 383.415 2.968 20 30 GFEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1-n1cncn1 ZINC000822199160 599117248 /nfs/dbraw/zinc/11/72/48/599117248.db2.gz YOELUBHCLZUONY-CXUHLZMHSA-N -1 3 383.415 2.968 20 30 GFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737016344 599154399 /nfs/dbraw/zinc/15/43/99/599154399.db2.gz WNCCLTHZAQUOJJ-VURMDHGXSA-N -1 3 398.394 2.936 20 30 GFEDHM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737016344 599154402 /nfs/dbraw/zinc/15/44/02/599154402.db2.gz WNCCLTHZAQUOJJ-VURMDHGXSA-N -1 3 398.394 2.936 20 30 GFEDHM CC(C)COc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735836676 599197299 /nfs/dbraw/zinc/19/72/99/599197299.db2.gz BYFMXILOMNMLNP-UHFFFAOYSA-N -1 3 376.420 2.954 20 30 GFEDHM CC(C)COc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735836676 599197301 /nfs/dbraw/zinc/19/73/01/599197301.db2.gz BYFMXILOMNMLNP-UHFFFAOYSA-N -1 3 376.420 2.954 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1Cc2ccccc2C1 ZINC000735420887 599243508 /nfs/dbraw/zinc/24/35/08/599243508.db2.gz VHYKFUOPTAXVLD-UHFFFAOYSA-N -1 3 388.475 2.979 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1Cc2ccccc2C1 ZINC000735420887 599243511 /nfs/dbraw/zinc/24/35/11/599243511.db2.gz VHYKFUOPTAXVLD-UHFFFAOYSA-N -1 3 388.475 2.979 20 30 GFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821690368 607286522 /nfs/dbraw/zinc/28/65/22/607286522.db2.gz ITLHDBKRXIIVEL-UHFFFAOYSA-N -1 3 391.435 2.727 20 30 GFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821690368 607286523 /nfs/dbraw/zinc/28/65/23/607286523.db2.gz ITLHDBKRXIIVEL-UHFFFAOYSA-N -1 3 391.435 2.727 20 30 GFEDHM N#CCCCOc1cccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822805713 607300065 /nfs/dbraw/zinc/30/00/65/607300065.db2.gz BCQGZVLDNDQDQH-UHFFFAOYSA-N -1 3 383.799 2.850 20 30 GFEDHM N#CCCCOc1cccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822805713 607300066 /nfs/dbraw/zinc/30/00/66/607300066.db2.gz BCQGZVLDNDQDQH-UHFFFAOYSA-N -1 3 383.799 2.850 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000736488317 599278643 /nfs/dbraw/zinc/27/86/43/599278643.db2.gz OJXFTFMPUWPIGU-ZDUSSCGKSA-N -1 3 391.435 2.966 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736487588 599278710 /nfs/dbraw/zinc/27/87/10/599278710.db2.gz JAICUCCIZONRAI-CYBMUJFWSA-N -1 3 391.435 2.966 20 30 GFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cn2)c1 ZINC000737730348 598443511 /nfs/dbraw/zinc/44/35/11/598443511.db2.gz ISDOLPBKLUBAHH-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cn2)c1 ZINC000737730348 598443512 /nfs/dbraw/zinc/44/35/12/598443512.db2.gz ISDOLPBKLUBAHH-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735757173 598548916 /nfs/dbraw/zinc/54/89/16/598548916.db2.gz UKPPIOOTBXCNNQ-CQSZACIVSA-N -1 3 380.408 2.707 20 30 GFEDHM C=CCN(CCc1ccccc1)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000819743859 607363908 /nfs/dbraw/zinc/36/39/08/607363908.db2.gz RILDXKVDXRKMNN-UHFFFAOYSA-N -1 3 380.452 2.746 20 30 GFEDHM C=CCN(CCc1ccccc1)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000819743859 607363910 /nfs/dbraw/zinc/36/39/10/607363910.db2.gz RILDXKVDXRKMNN-UHFFFAOYSA-N -1 3 380.452 2.746 20 30 GFEDHM C[C@H](Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)N(C)CCC#N ZINC000736139356 598786710 /nfs/dbraw/zinc/78/67/10/598786710.db2.gz QFHDXBCCTRAIKH-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@H](Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)N(C)CCC#N ZINC000736139356 598786712 /nfs/dbraw/zinc/78/67/12/598786712.db2.gz QFHDXBCCTRAIKH-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736163635 598801520 /nfs/dbraw/zinc/80/15/20/598801520.db2.gz QEGDNSZNUMSROV-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736163635 598801521 /nfs/dbraw/zinc/80/15/21/598801521.db2.gz QEGDNSZNUMSROV-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822161876 599363393 /nfs/dbraw/zinc/36/33/93/599363393.db2.gz VADRLHSSYFSBKF-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822161876 599363395 /nfs/dbraw/zinc/36/33/95/599363395.db2.gz VADRLHSSYFSBKF-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM N#Cc1cc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc2ccccc12 ZINC000737705978 599426132 /nfs/dbraw/zinc/42/61/32/599426132.db2.gz SZVZDSFRPNVZBS-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM N#Cc1cc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)nc2ccccc12 ZINC000737705978 599426137 /nfs/dbraw/zinc/42/61/37/599426137.db2.gz SZVZDSFRPNVZBS-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000821753050 607379559 /nfs/dbraw/zinc/37/95/59/607379559.db2.gz YHQCPHRCGPUEEE-UHFFFAOYSA-N -1 3 392.806 2.764 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000821753050 607379561 /nfs/dbraw/zinc/37/95/61/607379561.db2.gz YHQCPHRCGPUEEE-UHFFFAOYSA-N -1 3 392.806 2.764 20 30 GFEDHM N#CCCN(CCC#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737685787 599565762 /nfs/dbraw/zinc/56/57/62/599565762.db2.gz DWFBCOHOYYPJFF-UHFFFAOYSA-N -1 3 386.419 2.880 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000735418569 599613751 /nfs/dbraw/zinc/61/37/51/599613751.db2.gz GWJBMSCPTUSLHK-ZDUSSCGKSA-N -1 3 395.467 2.800 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000735418569 599613752 /nfs/dbraw/zinc/61/37/52/599613752.db2.gz GWJBMSCPTUSLHK-ZDUSSCGKSA-N -1 3 395.467 2.800 20 30 GFEDHM COc1ccc(C#N)cc1COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821769633 607421720 /nfs/dbraw/zinc/42/17/20/607421720.db2.gz JIANIYGNFXZSBO-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM COc1ccc(C#N)cc1COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821769633 607421722 /nfs/dbraw/zinc/42/17/22/607421722.db2.gz JIANIYGNFXZSBO-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000827717904 601301782 /nfs/dbraw/zinc/30/17/82/601301782.db2.gz MSUHKSXKTCKTSP-LHSJRXKWSA-N -1 3 393.443 2.692 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000739011627 602379762 /nfs/dbraw/zinc/37/97/62/602379762.db2.gz QHWQDILUJYTXKX-SWLSCSKDSA-N -1 3 390.509 2.948 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C#N ZINC000826200591 607620510 /nfs/dbraw/zinc/62/05/10/607620510.db2.gz XWPUEGBRYOGYRF-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C#N ZINC000826200591 607620511 /nfs/dbraw/zinc/62/05/11/607620511.db2.gz XWPUEGBRYOGYRF-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM N#Cc1c2c(sc1NC(=O)CCN1CC[C@H]3CC[C@@H](C1)N3C(=O)[O-])CCC2 ZINC000831114690 603978574 /nfs/dbraw/zinc/97/85/74/603978574.db2.gz RBOFGNWUXWOMQV-OLZOCXBDSA-N -1 3 388.493 2.654 20 30 GFEDHM CC(C)(C(=O)[O-])[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000833415842 605178481 /nfs/dbraw/zinc/17/84/81/605178481.db2.gz YDQYDQXBRLVVIJ-GOSISDBHSA-N -1 3 386.473 2.774 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000825540270 607757656 /nfs/dbraw/zinc/75/76/56/607757656.db2.gz XPNSGLCFLSPWDK-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000825540270 607757657 /nfs/dbraw/zinc/75/76/57/607757657.db2.gz XPNSGLCFLSPWDK-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833939790 605583914 /nfs/dbraw/zinc/58/39/14/605583914.db2.gz ARYFUBIQJISVDR-GJZGRUSLSA-N -1 3 392.419 2.575 20 30 GFEDHM C#CCN1CCC(C(=O)N[C@H](CNC(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000833787620 605675197 /nfs/dbraw/zinc/67/51/97/605675197.db2.gz VTKONMSUUMYWJP-HXUWFJFHSA-N -1 3 379.460 2.610 20 30 GFEDHM N#Cc1ccc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)s1 ZINC000822826234 606177714 /nfs/dbraw/zinc/17/77/14/606177714.db2.gz VJFRANVWBLAILL-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM N#Cc1ccc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)s1 ZINC000822826234 606177716 /nfs/dbraw/zinc/17/77/16/606177716.db2.gz VJFRANVWBLAILL-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000822833218 606339909 /nfs/dbraw/zinc/33/99/09/606339909.db2.gz MLQOTHQMGOIUEN-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000822833218 606339911 /nfs/dbraw/zinc/33/99/11/606339911.db2.gz MLQOTHQMGOIUEN-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000821620791 606387110 /nfs/dbraw/zinc/38/71/10/606387110.db2.gz VYLYVCIECOQKRI-IODUZNRKSA-N -1 3 394.485 2.843 20 30 GFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823161560 606489248 /nfs/dbraw/zinc/48/92/48/606489248.db2.gz OEVGQQOHPZQAIP-UHFFFAOYSA-N -1 3 377.351 2.729 20 30 GFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823161560 606489250 /nfs/dbraw/zinc/48/92/50/606489250.db2.gz OEVGQQOHPZQAIP-UHFFFAOYSA-N -1 3 377.351 2.729 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822800931 606505194 /nfs/dbraw/zinc/50/51/94/606505194.db2.gz AZUTVGQUYAUMJS-RTBURBONSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822800931 606505195 /nfs/dbraw/zinc/50/51/95/606505195.db2.gz AZUTVGQUYAUMJS-RTBURBONSA-N -1 3 387.447 2.577 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745441 606537350 /nfs/dbraw/zinc/53/73/50/606537350.db2.gz DCRPSNUDRYJQBV-UHFFFAOYSA-N -1 3 378.392 2.532 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745441 606537351 /nfs/dbraw/zinc/53/73/51/606537351.db2.gz DCRPSNUDRYJQBV-UHFFFAOYSA-N -1 3 378.392 2.532 20 30 GFEDHM N#Cc1cc(Br)ccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822818810 607032298 /nfs/dbraw/zinc/03/22/98/607032298.db2.gz GFBCYLBAAAFAGX-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1cc(Br)ccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822818810 607032300 /nfs/dbraw/zinc/03/23/00/607032300.db2.gz GFBCYLBAAAFAGX-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1cccc(OCCOc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000822837825 607043869 /nfs/dbraw/zinc/04/38/69/607043869.db2.gz VBMQLDDTQBDTHX-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM N#Cc1cccc(OCCOc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000822837825 607043870 /nfs/dbraw/zinc/04/38/70/607043870.db2.gz VBMQLDDTQBDTHX-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820004968 607118860 /nfs/dbraw/zinc/11/88/60/607118860.db2.gz GVEMQUABXMSJMS-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820004968 607118861 /nfs/dbraw/zinc/11/88/61/607118861.db2.gz GVEMQUABXMSJMS-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM C[C@@H](C#N)CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000824034069 607823908 /nfs/dbraw/zinc/82/39/08/607823908.db2.gz GVXDQDQPOCPBGW-ZDUSSCGKSA-N -1 3 389.419 2.818 20 30 GFEDHM C[C@@H](C#N)CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000824034069 607823909 /nfs/dbraw/zinc/82/39/09/607823909.db2.gz GVXDQDQPOCPBGW-ZDUSSCGKSA-N -1 3 389.419 2.818 20 30 GFEDHM C=C(C)[C@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)OCC ZINC000823872783 607893547 /nfs/dbraw/zinc/89/35/47/607893547.db2.gz DJPIPIWQIGDSNX-SFHVURJKSA-N -1 3 385.468 2.608 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826400949 607916879 /nfs/dbraw/zinc/91/68/79/607916879.db2.gz LSKAJNPPZLZXNJ-WAPJZHGLSA-N -1 3 393.422 2.863 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826400949 607916880 /nfs/dbraw/zinc/91/68/80/607916880.db2.gz LSKAJNPPZLZXNJ-WAPJZHGLSA-N -1 3 393.422 2.863 20 30 GFEDHM COc1ccc(C=CC(=O)c2ncc(Br)s2)cc1-c1nnn[n-]1 ZINC000826190413 607930401 /nfs/dbraw/zinc/93/04/01/607930401.db2.gz AAWPVWGUQMPJAD-RQOWECAXSA-N -1 3 392.238 2.990 20 30 GFEDHM COc1ccc(C=CC(=O)c2ncc(Br)s2)cc1-c1nn[n-]n1 ZINC000826190413 607930402 /nfs/dbraw/zinc/93/04/02/607930402.db2.gz AAWPVWGUQMPJAD-RQOWECAXSA-N -1 3 392.238 2.990 20 30 GFEDHM C=CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000823932170 608082943 /nfs/dbraw/zinc/08/29/43/608082943.db2.gz RFSZFDDFVNWEQD-IBGZPJMESA-N -1 3 391.431 2.645 20 30 GFEDHM C=CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823932170 608082944 /nfs/dbraw/zinc/08/29/44/608082944.db2.gz RFSZFDDFVNWEQD-IBGZPJMESA-N -1 3 391.431 2.645 20 30 GFEDHM NC(=NOCc1cccc(-c2nnn[n-]2)c1)c1cccnc1Oc1ccccc1 ZINC000826388934 608152980 /nfs/dbraw/zinc/15/29/80/608152980.db2.gz MPDYSFJXRKYZHO-UHFFFAOYSA-N -1 3 387.403 2.891 20 30 GFEDHM NC(=NOCc1cccc(-c2nn[n-]n2)c1)c1cccnc1Oc1ccccc1 ZINC000826388934 608152981 /nfs/dbraw/zinc/15/29/81/608152981.db2.gz MPDYSFJXRKYZHO-UHFFFAOYSA-N -1 3 387.403 2.891 20 30 GFEDHM Cc1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nn1CCC#N ZINC000826270532 608475798 /nfs/dbraw/zinc/47/57/98/608475798.db2.gz DTYKJRSKKDQFTC-UHFFFAOYSA-N -1 3 387.860 2.748 20 30 GFEDHM Cc1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nn1CCC#N ZINC000826270532 608475799 /nfs/dbraw/zinc/47/57/99/608475799.db2.gz DTYKJRSKKDQFTC-UHFFFAOYSA-N -1 3 387.860 2.748 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823888910 608477002 /nfs/dbraw/zinc/47/70/02/608477002.db2.gz ZZIBUROXZMUBPG-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823888910 608477003 /nfs/dbraw/zinc/47/70/03/608477003.db2.gz ZZIBUROXZMUBPG-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(-n2cccn2)cc1 ZINC000823953716 608534938 /nfs/dbraw/zinc/53/49/38/608534938.db2.gz MVSNIXGUTPMORR-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(-n2cccn2)cc1 ZINC000823953716 608534939 /nfs/dbraw/zinc/53/49/39/608534939.db2.gz MVSNIXGUTPMORR-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM Fc1ccc(-n2cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)cn2)cc1 ZINC000826373749 608538102 /nfs/dbraw/zinc/53/81/02/608538102.db2.gz YBOGPXQEYNGUNL-UHFFFAOYSA-N -1 3 383.778 2.686 20 30 GFEDHM Fc1ccc(-n2cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)cn2)cc1 ZINC000826373749 608538104 /nfs/dbraw/zinc/53/81/04/608538104.db2.gz YBOGPXQEYNGUNL-UHFFFAOYSA-N -1 3 383.778 2.686 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(N2CCOC2=O)cc1 ZINC000823958644 608539613 /nfs/dbraw/zinc/53/96/13/608539613.db2.gz UNOUWDREWZCLQS-UHFFFAOYSA-N -1 3 398.814 2.708 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N2CCOC2=O)cc1 ZINC000823958644 608539614 /nfs/dbraw/zinc/53/96/14/608539614.db2.gz UNOUWDREWZCLQS-UHFFFAOYSA-N -1 3 398.814 2.708 20 30 GFEDHM Clc1nc2sccn2c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826350396 608540795 /nfs/dbraw/zinc/54/07/95/608540795.db2.gz UIHXAQLACDGLRL-UHFFFAOYSA-N -1 3 380.224 2.724 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826380105 609141640 /nfs/dbraw/zinc/14/16/40/609141640.db2.gz NLGZDFQDAZMOJS-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826380105 609141642 /nfs/dbraw/zinc/14/16/42/609141642.db2.gz NLGZDFQDAZMOJS-IBGZPJMESA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826380121 609141647 /nfs/dbraw/zinc/14/16/47/609141647.db2.gz NWWOSVHKJCOVJL-SFHVURJKSA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826380121 609141649 /nfs/dbraw/zinc/14/16/49/609141649.db2.gz NWWOSVHKJCOVJL-SFHVURJKSA-N -1 3 395.417 2.527 20 30 GFEDHM Cn1cc(C=CC(=O)c2cc(O)cc(O)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359867 609309559 /nfs/dbraw/zinc/30/95/59/609309559.db2.gz RVBWBJGOCHLQSC-SREVYHEPSA-N -1 3 388.387 2.575 20 30 GFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824098832 609507645 /nfs/dbraw/zinc/50/76/45/609507645.db2.gz ASMOOMOERVEVTI-KRWDZBQOSA-N -1 3 390.831 2.720 20 30 GFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824098832 609507646 /nfs/dbraw/zinc/50/76/46/609507646.db2.gz ASMOOMOERVEVTI-KRWDZBQOSA-N -1 3 390.831 2.720 20 30 GFEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823904262 609532158 /nfs/dbraw/zinc/53/21/58/609532158.db2.gz YGXQETCCLUILGS-UHFFFAOYSA-N -1 3 391.357 2.551 20 30 GFEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823904262 609532160 /nfs/dbraw/zinc/53/21/60/609532160.db2.gz YGXQETCCLUILGS-UHFFFAOYSA-N -1 3 391.357 2.551 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826258132 609571639 /nfs/dbraw/zinc/57/16/39/609571639.db2.gz AYVIECMDLPIGBH-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826258132 609571642 /nfs/dbraw/zinc/57/16/42/609571642.db2.gz AYVIECMDLPIGBH-AWEZNQCLSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)nn1-c1cccc(C#N)c1 ZINC000826257914 609596056 /nfs/dbraw/zinc/59/60/56/609596056.db2.gz SJWXSVUZPYAIMR-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)nn1-c1cccc(C#N)c1 ZINC000826257914 609596057 /nfs/dbraw/zinc/59/60/57/609596057.db2.gz SJWXSVUZPYAIMR-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824754017 609618064 /nfs/dbraw/zinc/61/80/64/609618064.db2.gz HGPPBDIIRYQHOZ-NSHDSACASA-N -1 3 383.795 2.902 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824754017 609618066 /nfs/dbraw/zinc/61/80/66/609618066.db2.gz HGPPBDIIRYQHOZ-NSHDSACASA-N -1 3 383.795 2.902 20 30 GFEDHM O=C(CCc1cc(Cl)ccc1Br)N[C@H]1CCCN([O-])C1=O ZINC000820482979 660295185 /nfs/dbraw/zinc/29/51/85/660295185.db2.gz VNGGPDLSIYHEHT-LBPRGKRZSA-N -1 3 375.650 2.532 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C#N)c(Cl)cc1Cl ZINC000003482064 654440841 /nfs/dbraw/zinc/44/08/41/654440841.db2.gz XIXSOJSOKPMIKN-SECBINFHSA-N -1 3 379.265 2.997 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c(Cl)cc1Cl ZINC000121820262 654724272 /nfs/dbraw/zinc/72/42/72/654724272.db2.gz HKCHJVZKLFFMJT-GFCCVEGCSA-N -1 3 379.265 2.997 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000266188573 654861541 /nfs/dbraw/zinc/86/15/41/654861541.db2.gz QITPFPNHBYOIJM-UHFFFAOYSA-N -1 3 379.345 2.748 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS[C@H](C(C)C)C2)ccc1F ZINC000174287950 655197145 /nfs/dbraw/zinc/19/71/45/655197145.db2.gz QLXXDFWYVRYJMJ-HNNXBMFYSA-N -1 3 386.514 2.504 20 30 GFEDHM C=CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000120094619 655327615 /nfs/dbraw/zinc/32/76/15/655327615.db2.gz ADPWBJPRCDOYQI-UHFFFAOYSA-N -1 3 384.454 2.944 20 30 GFEDHM C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000120117770 655328238 /nfs/dbraw/zinc/32/82/38/655328238.db2.gz TUEKJBYMECSNHF-UHFFFAOYSA-N -1 3 384.454 2.944 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Br)cc1 ZINC000436756850 655409325 /nfs/dbraw/zinc/40/93/25/655409325.db2.gz FVEDYSMQXOJGTI-GFCCVEGCSA-N -1 3 375.178 2.878 20 30 GFEDHM C=CCCS(=O)(=O)[N-]C[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000751289726 655824791 /nfs/dbraw/zinc/82/47/91/655824791.db2.gz BIHVCZQXUMVGPF-LBPRGKRZSA-N -1 3 391.333 2.951 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000755440480 655883507 /nfs/dbraw/zinc/88/35/07/655883507.db2.gz CAHHWGVLFVHFPC-SNVBAGLBSA-N -1 3 379.251 2.813 20 30 GFEDHM COc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1Br ZINC000769818121 656293112 /nfs/dbraw/zinc/29/31/12/656293112.db2.gz PMOYRQKXYFWVJL-UHFFFAOYSA-N -1 3 391.229 2.676 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(C)C)C(F)(F)F)ccc1F ZINC000787391590 657551285 /nfs/dbraw/zinc/55/12/85/657551285.db2.gz IAPGGIHONNFXBG-ZDUSSCGKSA-N -1 3 382.379 2.607 20 30 GFEDHM COc1cc(C=NNc2ccccc2S(=O)(=O)N(C)C)cc(Cl)c1[O-] ZINC000793197129 658370083 /nfs/dbraw/zinc/37/00/83/658370083.db2.gz NSTIXSXQOBWAJL-UHFFFAOYSA-N -1 3 383.857 2.751 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000799817401 659230384 /nfs/dbraw/zinc/23/03/84/659230384.db2.gz KEOPEELYPWKYFO-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000799817401 659230389 /nfs/dbraw/zinc/23/03/89/659230389.db2.gz KEOPEELYPWKYFO-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(C)(C)C ZINC000805146347 659750498 /nfs/dbraw/zinc/75/04/98/659750498.db2.gz CGGAUBREPPFGMC-LBPRGKRZSA-N -1 3 378.263 2.923 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(C)(C)C ZINC000805147341 659751214 /nfs/dbraw/zinc/75/12/14/659751214.db2.gz WGLARANXTXKWLK-ZDUSSCGKSA-N -1 3 378.263 2.923 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000841575423 661306207 /nfs/dbraw/zinc/30/62/07/661306207.db2.gz OGGHGJIYQWMUCA-UHFFFAOYSA-N -1 3 377.235 2.569 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cccc(Br)c2)CCCC1 ZINC000848139091 661627269 /nfs/dbraw/zinc/62/72/69/661627269.db2.gz XIEOXFHERYHTRD-AWEZNQCLSA-N -1 3 381.270 2.757 20 30 GFEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000849426077 661722632 /nfs/dbraw/zinc/72/26/32/661722632.db2.gz HBTDSTWUPQXZCZ-CQSZACIVSA-N -1 3 380.363 2.866 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(F)(F)C(C)(C)C)ccc1F ZINC000856278349 662027434 /nfs/dbraw/zinc/02/74/34/662027434.db2.gz DUNQXEXIXPGJSZ-UHFFFAOYSA-N -1 3 378.416 2.701 20 30 GFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1ccc(Br)cc1=O ZINC000870455013 662690776 /nfs/dbraw/zinc/69/07/76/662690776.db2.gz STQCDCUMAVZTRX-HNNXBMFYSA-N -1 3 399.244 2.621 20 30 GFEDHM N#CC(C(=O)Cn1ccc(Br)cc1=O)=C([O-])C1(c2ccccc2)CC1 ZINC000870455013 662690777 /nfs/dbraw/zinc/69/07/77/662690777.db2.gz STQCDCUMAVZTRX-HNNXBMFYSA-N -1 3 399.244 2.621 20 30 GFEDHM C=CC[C@H]1CCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000890555259 663305132 /nfs/dbraw/zinc/30/51/32/663305132.db2.gz GUZBYRUCFOMVHW-NSHDSACASA-N -1 3 394.212 2.923 20 30 GFEDHM C[C@@H](CC(=O)NCc1cscc1Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000899244163 663680558 /nfs/dbraw/zinc/68/05/58/663680558.db2.gz ZTMUAQDHKGKETM-JTQLQIEISA-N -1 3 397.909 2.535 20 30 GFEDHM CCCCS(=O)(=O)N1CCC(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904188657 663827481 /nfs/dbraw/zinc/82/74/81/663827481.db2.gz IONPZCUEQODZFT-UHFFFAOYSA-N -1 3 388.917 2.900 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cn1)c1nc(C(F)(F)F)cs1 ZINC000907006826 663991597 /nfs/dbraw/zinc/99/15/97/663991597.db2.gz IESFQRHXHWIYLY-SECBINFHSA-N -1 3 376.385 2.858 20 30 GFEDHM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907127805 664004872 /nfs/dbraw/zinc/00/48/72/664004872.db2.gz IVHUBKFGXJFZIH-VIFPVBQESA-N -1 3 392.380 2.545 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC)CC(F)(F)F)ccc1F ZINC000915861439 664442774 /nfs/dbraw/zinc/44/27/74/664442774.db2.gz KHPASOKXILTAPN-UHFFFAOYSA-N -1 3 382.379 2.705 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000115900475 551210678 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CO[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)C ZINC000553836051 564738494 /nfs/dbraw/zinc/73/84/94/564738494.db2.gz HRWMVTJRRFZCFF-CYBMUJFWSA-N -1 3 375.288 2.660 20 30 GFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(C)C ZINC000553836052 564738847 /nfs/dbraw/zinc/73/88/47/564738847.db2.gz HRWMVTJRRFZCFF-ZDUSSCGKSA-N -1 3 375.288 2.660 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000528547811 564793267 /nfs/dbraw/zinc/79/32/67/564793267.db2.gz IYCINWRLJMRBRS-OAHLLOKOSA-N -1 3 398.326 2.616 20 30 GFEDHM Cc1nc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)cc1C#N ZINC000461945728 564810148 /nfs/dbraw/zinc/81/01/48/564810148.db2.gz DYHNSOFDKVLUKS-UHFFFAOYSA-N -1 3 386.811 2.584 20 30 GFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462112585 564820669 /nfs/dbraw/zinc/82/06/69/564820669.db2.gz SIVBTCXFYQBBLM-UHFFFAOYSA-N -1 3 376.381 2.996 20 30 GFEDHM N#Cc1ccc(C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000557091766 564853374 /nfs/dbraw/zinc/85/33/74/564853374.db2.gz 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N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000584672146 565090596 /nfs/dbraw/zinc/09/05/96/565090596.db2.gz CSZDYFMYPACEHT-GFCCVEGCSA-N -1 3 393.262 2.603 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000588111147 565126200 /nfs/dbraw/zinc/12/62/00/565126200.db2.gz AHFYCCLHSPPMHE-GFCCVEGCSA-N -1 3 377.263 2.939 20 30 GFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccncc1 ZINC000588117562 565126418 /nfs/dbraw/zinc/12/64/18/565126418.db2.gz BIGLLXJCXDDEKU-NSHDSACASA-N -1 3 380.267 2.798 20 30 GFEDHM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753239 565358649 /nfs/dbraw/zinc/35/86/49/565358649.db2.gz RSJIKJWEKZTABH-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594770170 565418011 /nfs/dbraw/zinc/41/80/11/565418011.db2.gz YYKGHUXMTHJBRH-LSDHHAIUSA-N -1 3 380.491 2.554 20 30 GFEDHM N#Cc1cccc(CS(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000594818547 565425194 /nfs/dbraw/zinc/42/51/94/565425194.db2.gz LNVPZYWLTNTVFI-HNNXBMFYSA-N -1 3 376.400 2.868 20 30 GFEDHM C[C@@H](C#N)N(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000598123282 565594963 /nfs/dbraw/zinc/59/49/63/565594963.db2.gz LFDKMWVJARBVGR-JTQLQIEISA-N -1 3 390.292 2.565 20 30 GFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000601959334 565810905 /nfs/dbraw/zinc/81/09/05/565810905.db2.gz JUZXHSCNZCOIRH-MRXNPFEDSA-N -1 3 381.454 2.937 20 30 GFEDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000610855915 566103427 /nfs/dbraw/zinc/10/34/27/566103427.db2.gz OVCSQOFLUCLPQV-UHFFFAOYSA-N -1 3 377.853 2.691 20 30 GFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000657037131 566210586 /nfs/dbraw/zinc/21/05/86/566210586.db2.gz VFYBSFXYGCDNOS-OCCSQVGLSA-N -1 3 386.901 2.617 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCOCC1 ZINC000657127500 566226510 /nfs/dbraw/zinc/22/65/10/566226510.db2.gz JLKMEJFEOZMJCA-UHFFFAOYSA-N -1 3 378.263 2.992 20 30 GFEDHM C=CCc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000735442786 598913143 /nfs/dbraw/zinc/91/31/43/598913143.db2.gz JUQQEJVRMSEOIG-UHFFFAOYSA-N -1 3 390.403 2.736 20 30 GFEDHM C=CCc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000735442786 598913146 /nfs/dbraw/zinc/91/31/46/598913146.db2.gz JUQQEJVRMSEOIG-UHFFFAOYSA-N -1 3 390.403 2.736 20 30 GFEDHM N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1-c1nnn[n-]1 ZINC000737710000 598918898 /nfs/dbraw/zinc/91/88/98/598918898.db2.gz TVRWTNODFIFMSS-UHFFFAOYSA-N -1 3 385.387 2.965 20 30 GFEDHM N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1-c1nn[n-]n1 ZINC000737710000 598918900 /nfs/dbraw/zinc/91/89/00/598918900.db2.gz TVRWTNODFIFMSS-UHFFFAOYSA-N -1 3 385.387 2.965 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735461325 598919548 /nfs/dbraw/zinc/91/95/48/598919548.db2.gz PWAMRFXILJQJEH-IBGZPJMESA-N -1 3 399.414 2.641 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735461325 598919550 /nfs/dbraw/zinc/91/95/50/598919550.db2.gz PWAMRFXILJQJEH-IBGZPJMESA-N -1 3 399.414 2.641 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1-c1nnn[n-]1 ZINC000737718622 598926387 /nfs/dbraw/zinc/92/63/87/598926387.db2.gz KZKWJRUOVWCUFR-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1-c1nn[n-]n1 ZINC000737718622 598926388 /nfs/dbraw/zinc/92/63/88/598926388.db2.gz KZKWJRUOVWCUFR-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735963632 598932237 /nfs/dbraw/zinc/93/22/37/598932237.db2.gz IQZTYTXUNRPNQA-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735963632 598932238 /nfs/dbraw/zinc/93/22/38/598932238.db2.gz IQZTYTXUNRPNQA-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)n1C[C@@H]1CCCO1 ZINC000822199086 607253412 /nfs/dbraw/zinc/25/34/12/607253412.db2.gz WBYGXPHMWSGHKZ-IBGZPJMESA-N -1 3 379.468 2.588 20 30 GFEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)n1C[C@@H]1CCCO1 ZINC000822199086 607253413 /nfs/dbraw/zinc/25/34/13/607253413.db2.gz WBYGXPHMWSGHKZ-IBGZPJMESA-N -1 3 379.468 2.588 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735426200 598996710 /nfs/dbraw/zinc/99/67/10/598996710.db2.gz LSOSADRTLAUDJV-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735426200 598996712 /nfs/dbraw/zinc/99/67/12/598996712.db2.gz LSOSADRTLAUDJV-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736416456 599026765 /nfs/dbraw/zinc/02/67/65/599026765.db2.gz NULKMWMOHPBFTQ-KRWDZBQOSA-N -1 3 376.420 2.868 20 30 GFEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(-c2ccncc2)n1 ZINC000822673816 599117014 /nfs/dbraw/zinc/11/70/14/599117014.db2.gz CGGWWKMHAHCTQW-PTNGSMBKSA-N -1 3 383.415 2.875 20 30 GFEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(-c2ccncc2)n1 ZINC000822673816 599117017 /nfs/dbraw/zinc/11/70/17/599117017.db2.gz CGGWWKMHAHCTQW-PTNGSMBKSA-N -1 3 383.415 2.875 20 30 GFEDHM N#C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000822800965 607302679 /nfs/dbraw/zinc/30/26/79/607302679.db2.gz BYBBTGZBTGTJEJ-QGZVFWFLSA-N -1 3 395.467 2.564 20 30 GFEDHM N#C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000822800965 607302680 /nfs/dbraw/zinc/30/26/80/607302680.db2.gz BYBBTGZBTGTJEJ-QGZVFWFLSA-N -1 3 395.467 2.564 20 30 GFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820690558 607301271 /nfs/dbraw/zinc/30/12/71/607301271.db2.gz NYHZWVWVCGYIAV-VLIAUNLRSA-N -1 3 395.467 2.564 20 30 GFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820690558 607301272 /nfs/dbraw/zinc/30/12/72/607301272.db2.gz NYHZWVWVCGYIAV-VLIAUNLRSA-N -1 3 395.467 2.564 20 30 GFEDHM COCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737015225 598376996 /nfs/dbraw/zinc/37/69/96/598376996.db2.gz MXLPJLVOSGIHMF-HJWRWDBZSA-N -1 3 393.447 2.844 20 30 GFEDHM COCCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737015225 598376998 /nfs/dbraw/zinc/37/69/98/598376998.db2.gz MXLPJLVOSGIHMF-HJWRWDBZSA-N -1 3 393.447 2.844 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648658 598535526 /nfs/dbraw/zinc/53/55/26/598535526.db2.gz VMZZOVPUAUMDQY-GOSISDBHSA-N -1 3 389.463 2.957 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000737348243 598548095 /nfs/dbraw/zinc/54/80/95/598548095.db2.gz WABSBNQAVMISGI-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000737348243 598548096 /nfs/dbraw/zinc/54/80/96/598548096.db2.gz WABSBNQAVMISGI-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000735418304 598581311 /nfs/dbraw/zinc/58/13/11/598581311.db2.gz AOWBEBVBSHJSTE-GOSISDBHSA-N -1 3 375.432 2.948 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000735418304 598581313 /nfs/dbraw/zinc/58/13/13/598581313.db2.gz AOWBEBVBSHJSTE-GOSISDBHSA-N -1 3 375.432 2.948 20 30 GFEDHM CCc1c(C)sc(NC(=O)Cc2ccc(OCC#N)cc2)c1-c1nnn[n-]1 ZINC000736676256 598657532 /nfs/dbraw/zinc/65/75/32/598657532.db2.gz PVJRZDXWTCKCRK-UHFFFAOYSA-N -1 3 382.449 2.883 20 30 GFEDHM CCc1c(C)sc(NC(=O)Cc2ccc(OCC#N)cc2)c1-c1nn[n-]n1 ZINC000736676256 598657534 /nfs/dbraw/zinc/65/75/34/598657534.db2.gz PVJRZDXWTCKCRK-UHFFFAOYSA-N -1 3 382.449 2.883 20 30 GFEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000735390873 598662416 /nfs/dbraw/zinc/66/24/16/598662416.db2.gz GVBYAAKGIGGMKW-UHFFFAOYSA-N -1 3 387.852 2.717 20 30 GFEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000735390873 598662418 /nfs/dbraw/zinc/66/24/18/598662418.db2.gz GVBYAAKGIGGMKW-UHFFFAOYSA-N -1 3 387.852 2.717 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735436631 598667352 /nfs/dbraw/zinc/66/73/52/598667352.db2.gz QBMITUZHOXRAFX-UHFFFAOYSA-N -1 3 395.488 2.981 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735436631 598667354 /nfs/dbraw/zinc/66/73/54/598667354.db2.gz QBMITUZHOXRAFX-UHFFFAOYSA-N -1 3 395.488 2.981 20 30 GFEDHM N#CCCN(Cc1ccco1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737695025 598687048 /nfs/dbraw/zinc/68/70/48/598687048.db2.gz SEOHRETYSWHLNM-UHFFFAOYSA-N -1 3 394.435 2.951 20 30 GFEDHM N#CCCN(Cc1ccco1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737695025 598687050 /nfs/dbraw/zinc/68/70/50/598687050.db2.gz SEOHRETYSWHLNM-UHFFFAOYSA-N -1 3 394.435 2.951 20 30 GFEDHM CCN(CCC#N)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736534933 598701528 /nfs/dbraw/zinc/70/15/28/598701528.db2.gz OODPCMQQLFIEAO-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM CCN(CCC#N)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736534933 598701529 /nfs/dbraw/zinc/70/15/29/598701529.db2.gz OODPCMQQLFIEAO-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735437401 598819200 /nfs/dbraw/zinc/81/92/00/598819200.db2.gz GZXOFXIGKPXFMT-UHFFFAOYSA-N -1 3 381.392 2.809 20 30 GFEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735437401 598819202 /nfs/dbraw/zinc/81/92/02/598819202.db2.gz GZXOFXIGKPXFMT-UHFFFAOYSA-N -1 3 381.392 2.809 20 30 GFEDHM CCO[C@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC000736619811 599475417 /nfs/dbraw/zinc/47/54/17/599475417.db2.gz ZTHGOZDIIYGIID-MRVPVSSYSA-N -1 3 388.482 2.562 20 30 GFEDHM CCO[C@H](C)c1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC000736619811 599475419 /nfs/dbraw/zinc/47/54/19/599475419.db2.gz ZTHGOZDIIYGIID-MRVPVSSYSA-N -1 3 388.482 2.562 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccn2)ccc1-c1nnn[n-]1 ZINC000822823653 599632283 /nfs/dbraw/zinc/63/22/83/599632283.db2.gz WRMXKIIXPNUENE-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccn2)ccc1-c1nn[n-]n1 ZINC000822823653 599632284 /nfs/dbraw/zinc/63/22/84/599632284.db2.gz WRMXKIIXPNUENE-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824729667 607428401 /nfs/dbraw/zinc/42/84/01/607428401.db2.gz LNDYPDGGKLNWFA-KSSFIOAISA-N -1 3 376.420 2.795 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922697 607458987 /nfs/dbraw/zinc/45/89/87/607458987.db2.gz IOPNYIYZGLFFLB-XQRVVYSFSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922697 607458988 /nfs/dbraw/zinc/45/89/88/607458988.db2.gz IOPNYIYZGLFFLB-XQRVVYSFSA-N -1 3 397.385 2.878 20 30 GFEDHM N#Cc1ccccc1/C=C/C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833075007 601733227 /nfs/dbraw/zinc/73/32/27/601733227.db2.gz IUDRZCNDZNFXKY-RGPPVUSESA-N -1 3 389.455 2.807 20 30 GFEDHM CN(C(=O)[O-])[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000739585887 601973581 /nfs/dbraw/zinc/97/35/81/601973581.db2.gz QSZPAVZLIKUNDW-LBPRGKRZSA-N -1 3 376.482 2.511 20 30 GFEDHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000832103643 602014494 /nfs/dbraw/zinc/01/44/94/602014494.db2.gz WCPWZXFPHSKLEW-OALUTQOASA-N -1 3 396.443 2.683 20 30 GFEDHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1C#N ZINC000826203232 607559217 /nfs/dbraw/zinc/55/92/17/607559217.db2.gz FWINJAADYQJKDK-UHFFFAOYSA-N -1 3 391.822 2.983 20 30 GFEDHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1C#N ZINC000826203232 607559218 /nfs/dbraw/zinc/55/92/18/607559218.db2.gz FWINJAADYQJKDK-UHFFFAOYSA-N -1 3 391.822 2.983 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000825391033 607590307 /nfs/dbraw/zinc/59/03/07/607590307.db2.gz SNKQRTSJCUMOIA-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000825391033 607590308 /nfs/dbraw/zinc/59/03/08/607590308.db2.gz SNKQRTSJCUMOIA-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000829135366 604253173 /nfs/dbraw/zinc/25/31/73/604253173.db2.gz RSFGAUZFSWZESV-LLVKDONJSA-N -1 3 393.827 2.885 20 30 GFEDHM COc1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826199217 607711736 /nfs/dbraw/zinc/71/17/36/607711736.db2.gz SRTKNMLKSLXBFK-QGZVFWFLSA-N -1 3 391.435 2.720 20 30 GFEDHM COc1ccc(CNC(=O)N[C@H](CCC#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826199217 607711738 /nfs/dbraw/zinc/71/17/38/607711738.db2.gz SRTKNMLKSLXBFK-QGZVFWFLSA-N -1 3 391.435 2.720 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CCCCC2)cc1-c1nnn[n-]1 ZINC000825531793 607760052 /nfs/dbraw/zinc/76/00/52/607760052.db2.gz MHEZKCLBABVOOM-UHFFFAOYSA-N -1 3 383.412 2.848 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)C2(C#N)CCCCC2)cc1-c1nn[n-]n1 ZINC000825531793 607760053 /nfs/dbraw/zinc/76/00/53/607760053.db2.gz MHEZKCLBABVOOM-UHFFFAOYSA-N -1 3 383.412 2.848 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3nc4ccccc4cc3-c3nnn[n-]3)CC2)nc1 ZINC000822829898 606070505 /nfs/dbraw/zinc/07/05/05/606070505.db2.gz OFXBZYPYVNBMQG-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3nc4ccccc4cc3-c3nn[n-]n3)CC2)nc1 ZINC000822829898 606070510 /nfs/dbraw/zinc/07/05/10/606070510.db2.gz OFXBZYPYVNBMQG-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1cc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1Cl ZINC000822823380 606245516 /nfs/dbraw/zinc/24/55/16/606245516.db2.gz OYJDLSJNABUFRD-MRXNPFEDSA-N -1 3 379.811 2.609 20 30 GFEDHM N#Cc1cc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1Cl ZINC000822823380 606245518 /nfs/dbraw/zinc/24/55/18/606245518.db2.gz OYJDLSJNABUFRD-MRXNPFEDSA-N -1 3 379.811 2.609 20 30 GFEDHM N#Cc1c[nH]c(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000822818666 606256933 /nfs/dbraw/zinc/25/69/33/606256933.db2.gz FJTKWOFROFMYTF-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1c[nH]c(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000822818666 606256934 /nfs/dbraw/zinc/25/69/34/606256934.db2.gz FJTKWOFROFMYTF-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000822922347 606393014 /nfs/dbraw/zinc/39/30/14/606393014.db2.gz FSSXAJHXJOVSFD-XVNBXDOJSA-N -1 3 396.400 2.821 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822802347 606445266 /nfs/dbraw/zinc/44/52/66/606445266.db2.gz ZMXQPUSKGXZNAQ-RTBURBONSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822801486 606445314 /nfs/dbraw/zinc/44/53/14/606445314.db2.gz JURCATSEUCHICV-OALUTQOASA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822801486 606445316 /nfs/dbraw/zinc/44/53/16/606445316.db2.gz JURCATSEUCHICV-OALUTQOASA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822802340 606445612 /nfs/dbraw/zinc/44/56/12/606445612.db2.gz ZMXQPUSKGXZNAQ-MOPGFXCFSA-N -1 3 387.447 2.577 20 30 GFEDHM N#Cc1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c([N+](=O)[O-])c1 ZINC000822830213 606481150 /nfs/dbraw/zinc/48/11/50/606481150.db2.gz XJQBOJBORSOBLR-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM N#Cc1ccc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1 ZINC000822830213 606481152 /nfs/dbraw/zinc/48/11/52/606481152.db2.gz XJQBOJBORSOBLR-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000821308471 606599557 /nfs/dbraw/zinc/59/95/57/606599557.db2.gz AUZSWVBWYNRHJG-UHFFFAOYSA-N -1 3 396.842 2.874 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000822842285 606643676 /nfs/dbraw/zinc/64/36/76/606643676.db2.gz AHBCOOWDXHXSGX-UHFFFAOYSA-N -1 3 386.463 2.703 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000822842285 606643677 /nfs/dbraw/zinc/64/36/77/606643677.db2.gz AHBCOOWDXHXSGX-UHFFFAOYSA-N -1 3 386.463 2.703 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000821412056 606701280 /nfs/dbraw/zinc/70/12/80/606701280.db2.gz HCGRHZBSGPWTQM-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000821412056 606701281 /nfs/dbraw/zinc/70/12/81/606701281.db2.gz HCGRHZBSGPWTQM-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000821608757 606772083 /nfs/dbraw/zinc/77/20/83/606772083.db2.gz TZVKANXGRZMQGC-UHFFFAOYSA-N -1 3 381.371 2.572 20 30 GFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000821608757 606772084 /nfs/dbraw/zinc/77/20/84/606772084.db2.gz TZVKANXGRZMQGC-UHFFFAOYSA-N -1 3 381.371 2.572 20 30 GFEDHM C=CCC(CC=C)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819734506 607004159 /nfs/dbraw/zinc/00/41/59/607004159.db2.gz PKSVZQLISXUBLM-UHFFFAOYSA-N -1 3 375.816 2.770 20 30 GFEDHM C=CCC(CC=C)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819734506 607004161 /nfs/dbraw/zinc/00/41/61/607004161.db2.gz PKSVZQLISXUBLM-UHFFFAOYSA-N -1 3 375.816 2.770 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820005188 607091129 /nfs/dbraw/zinc/09/11/29/607091129.db2.gz MHUYPVHSMGVQRE-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820005188 607091131 /nfs/dbraw/zinc/09/11/31/607091131.db2.gz MHUYPVHSMGVQRE-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846302 607098854 /nfs/dbraw/zinc/09/88/54/607098854.db2.gz VEKYAJYJPSVZHZ-VGNCUPIHSA-N -1 3 381.442 2.928 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846302 607098855 /nfs/dbraw/zinc/09/88/55/607098855.db2.gz VEKYAJYJPSVZHZ-VGNCUPIHSA-N -1 3 381.442 2.928 20 30 GFEDHM N#Cc1ccsc1N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000822842434 607124185 /nfs/dbraw/zinc/12/41/85/607124185.db2.gz IDUMGGGKGVVBPE-ZDUSSCGKSA-N -1 3 385.840 2.671 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000819745963 607194639 /nfs/dbraw/zinc/19/46/39/607194639.db2.gz WVOURWCGRDBSSQ-UHFFFAOYSA-N -1 3 395.394 2.621 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000819745963 607194640 /nfs/dbraw/zinc/19/46/40/607194640.db2.gz WVOURWCGRDBSSQ-UHFFFAOYSA-N -1 3 395.394 2.621 20 30 GFEDHM C=C(C)[C@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)OCC ZINC000823872864 607880133 /nfs/dbraw/zinc/88/01/33/607880133.db2.gz FHPWVMHUHDUOLC-INIZCTEOSA-N -1 3 375.498 2.587 20 30 GFEDHM C=C(C)[C@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)OCC ZINC000823872864 607880134 /nfs/dbraw/zinc/88/01/34/607880134.db2.gz FHPWVMHUHDUOLC-INIZCTEOSA-N -1 3 375.498 2.587 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000826177147 607915696 /nfs/dbraw/zinc/91/56/96/607915696.db2.gz UKZBKPHRMGPYRV-ALCCZGGFSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000826177147 607915697 /nfs/dbraw/zinc/91/56/97/607915697.db2.gz UKZBKPHRMGPYRV-ALCCZGGFSA-N -1 3 384.367 2.928 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2ccc(CC#N)cc2)c(-c2nnn[n-]2)c1C ZINC000825576451 607999878 /nfs/dbraw/zinc/99/98/78/607999878.db2.gz HKLGLMHNBASZOE-UHFFFAOYSA-N -1 3 396.432 2.732 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2ccc(CC#N)cc2)c(-c2nn[n-]n2)c1C ZINC000825576451 607999879 /nfs/dbraw/zinc/99/98/79/607999879.db2.gz HKLGLMHNBASZOE-UHFFFAOYSA-N -1 3 396.432 2.732 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000823909545 608026726 /nfs/dbraw/zinc/02/67/26/608026726.db2.gz IMOWAIRAPUDMKS-UHFFFAOYSA-N -1 3 388.431 2.526 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000823909545 608026727 /nfs/dbraw/zinc/02/67/27/608026727.db2.gz IMOWAIRAPUDMKS-UHFFFAOYSA-N -1 3 388.431 2.526 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826209636 608095151 /nfs/dbraw/zinc/09/51/51/608095151.db2.gz KBRVUNSTLSFDMI-UHFFFAOYSA-N -1 3 391.457 2.787 20 30 GFEDHM C=CCCOCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823898852 608352616 /nfs/dbraw/zinc/35/26/16/608352616.db2.gz DXVXFQRCXRPMDF-UHFFFAOYSA-N -1 3 392.463 2.926 20 30 GFEDHM C=CCCOCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823898852 608352618 /nfs/dbraw/zinc/35/26/18/608352618.db2.gz DXVXFQRCXRPMDF-UHFFFAOYSA-N -1 3 392.463 2.926 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H]1C ZINC000825499519 608538504 /nfs/dbraw/zinc/53/85/04/608538504.db2.gz NXSBEGWESOXZKJ-CABZTGNLSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H]1C ZINC000825499519 608538505 /nfs/dbraw/zinc/53/85/05/608538505.db2.gz NXSBEGWESOXZKJ-CABZTGNLSA-N -1 3 377.836 2.682 20 30 GFEDHM C=CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC ZINC000823931635 608539974 /nfs/dbraw/zinc/53/99/74/608539974.db2.gz CGHUADGKKCQXML-UHFFFAOYSA-N -1 3 385.815 2.935 20 30 GFEDHM C=CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000823931635 608539975 /nfs/dbraw/zinc/53/99/75/608539975.db2.gz CGHUADGKKCQXML-UHFFFAOYSA-N -1 3 385.815 2.935 20 30 GFEDHM O=[N+]([O-])c1ccc(Cl)c(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826497993 608541939 /nfs/dbraw/zinc/54/19/39/608541939.db2.gz CFSJUYPNHIKDLG-UHFFFAOYSA-N -1 3 379.167 2.923 20 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/nfs/dbraw/zinc/15/70/02/609157002.db2.gz DYXFYNYPXFPFMU-UHFFFAOYSA-N -1 3 385.424 2.661 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCC1(C#N)CCCC1 ZINC000826175433 609157003 /nfs/dbraw/zinc/15/70/03/609157003.db2.gz DYXFYNYPXFPFMU-UHFFFAOYSA-N -1 3 385.424 2.661 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400934 609271082 /nfs/dbraw/zinc/27/10/82/609271082.db2.gz LGASQBZVNLUGPL-KXFIGUGUSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400934 609271083 /nfs/dbraw/zinc/27/10/83/609271083.db2.gz LGASQBZVNLUGPL-KXFIGUGUSA-N -1 3 397.385 2.878 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826384860 609345093 /nfs/dbraw/zinc/34/50/93/609345093.db2.gz MIUAZQCVVGCVMA-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826384860 609345095 /nfs/dbraw/zinc/34/50/95/609345095.db2.gz MIUAZQCVVGCVMA-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM O=C(NC1CC1)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826429114 609472486 /nfs/dbraw/zinc/47/24/86/609472486.db2.gz URZLGAWGXFPXIA-UHFFFAOYSA-N -1 3 381.827 2.858 20 30 GFEDHM O=C(NC1CC1)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826429114 609472488 /nfs/dbraw/zinc/47/24/88/609472488.db2.gz URZLGAWGXFPXIA-UHFFFAOYSA-N -1 3 381.827 2.858 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(CC#N)cc2)n1 ZINC000825560710 609485048 /nfs/dbraw/zinc/48/50/48/609485048.db2.gz VWUMWSAUVGFFKW-UHFFFAOYSA-N -1 3 380.433 2.797 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(CC#N)cc2)n1 ZINC000825560710 609485050 /nfs/dbraw/zinc/48/50/50/609485050.db2.gz VWUMWSAUVGFFKW-UHFFFAOYSA-N -1 3 380.433 2.797 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260437 609552739 /nfs/dbraw/zinc/55/27/39/609552739.db2.gz NWRGLVLHKWYFIB-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260437 609552741 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396.925 2.919 20 30 GFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(c(Br)c1)OCO2 ZINC000138844885 655043698 /nfs/dbraw/zinc/04/36/98/655043698.db2.gz FLFWFBLBCADOHJ-SNVBAGLBSA-N -1 3 388.177 2.534 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000270857503 655058061 /nfs/dbraw/zinc/05/80/61/655058061.db2.gz QCGQGEOFFDYMNK-ONGXEEELSA-N -1 3 390.305 2.557 20 30 GFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000273554691 655147960 /nfs/dbraw/zinc/14/79/60/655147960.db2.gz DAYQMOIBYUREAZ-ZETCQYMHSA-N -1 3 376.385 2.777 20 30 GFEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000743449284 655729286 /nfs/dbraw/zinc/72/92/86/655729286.db2.gz KBLQKJAHCWZMPU-LBPRGKRZSA-N -1 3 375.837 2.999 20 30 GFEDHM Cc1ccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000756328572 655898454 /nfs/dbraw/zinc/89/84/54/655898454.db2.gz VWESHMPESVDPQH-NSHDSACASA-N -1 3 378.475 2.617 20 30 GFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000756972926 655908058 /nfs/dbraw/zinc/90/80/58/655908058.db2.gz MAPLOFJSVUCOOQ-UHFFFAOYSA-N -1 3 382.265 2.651 20 30 GFEDHM C#CCCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000840952252 661218400 /nfs/dbraw/zinc/21/84/00/661218400.db2.gz XVKSMCPAQHDWRT-UHFFFAOYSA-N -1 3 379.284 2.899 20 30 GFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccccc2Br)c1 ZINC000776279839 656726034 /nfs/dbraw/zinc/72/60/34/656726034.db2.gz NCVCGBIGECUHCQ-UHFFFAOYSA-N -1 3 375.178 2.822 20 30 GFEDHM Cc1nc(C)c(CC(=O)OCc2cc(Br)cc(C#N)c2)c(=O)[n-]1 ZINC000790854848 658035941 /nfs/dbraw/zinc/03/59/41/658035941.db2.gz GGLIXEUBEUNRRV-UHFFFAOYSA-N -1 3 376.210 2.719 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000804946287 659700835 /nfs/dbraw/zinc/70/08/35/659700835.db2.gz CDYZOWLMNTWIHQ-ZETCQYMHSA-N -1 3 384.082 2.793 20 30 GFEDHM C[C@H](CC(=O)OCc1ccsc1Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000849736155 661743407 /nfs/dbraw/zinc/74/34/07/661743407.db2.gz OPXFIMWRCZBRIU-SNVBAGLBSA-N -1 3 398.893 2.962 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C1CCOCC1 ZINC000851828958 661836080 /nfs/dbraw/zinc/83/60/80/661836080.db2.gz GJMRKYIJQWAHKU-NSHDSACASA-N -1 3 378.313 2.526 20 30 GFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000859425016 662161864 /nfs/dbraw/zinc/16/18/64/662161864.db2.gz YDCMXHQPKJTCOE-SNVBAGLBSA-N -1 3 380.691 2.809 20 30 GFEDHM C#CC[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000862555491 662291322 /nfs/dbraw/zinc/29/13/22/662291322.db2.gz DOHRPSSYXXCAHZ-LBPRGKRZSA-N -1 3 389.304 2.534 20 30 GFEDHM COCCCn1nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ccc1=O ZINC000901378807 663734790 /nfs/dbraw/zinc/73/47/90/663734790.db2.gz LLSHXRKZAXAVTI-UHFFFAOYSA-N -1 3 386.235 2.618 20 30 GFEDHM CNS(=O)(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000901380345 663735001 /nfs/dbraw/zinc/73/50/01/663735001.db2.gz VNCFFNOMVIWNQS-UHFFFAOYSA-N -1 3 389.260 2.933 20 30 GFEDHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC000901379898 663735013 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COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccs1 ZINC000156323494 551519928 /nfs/dbraw/zinc/51/99/28/551519928.db2.gz RAJCQUNQCSATKY-GFCCVEGCSA-N -1 3 384.866 2.856 20 30 GFEDHM CC#CCC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000158608152 551554202 /nfs/dbraw/zinc/55/42/02/551554202.db2.gz PQDZESYWYYEMTO-UHFFFAOYSA-N -1 3 381.089 2.903 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ncc(C)s2)ccc1F ZINC000177870173 552160362 /nfs/dbraw/zinc/16/03/62/552160362.db2.gz PGULEDJHLVVCBK-NSHDSACASA-N -1 3 383.470 2.546 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCc3ccccc3C2)c(Cl)c1 ZINC000183469805 552310778 /nfs/dbraw/zinc/31/07/78/552310778.db2.gz WCBTVATXBJJPMX-UHFFFAOYSA-N -1 3 375.881 2.548 20 30 GFEDHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000184428590 552335234 /nfs/dbraw/zinc/33/52/34/552335234.db2.gz NOUQKRKMKZRKAY-UHFFFAOYSA-N -1 3 377.853 2.691 20 30 GFEDHM COC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000185611696 552367089 /nfs/dbraw/zinc/36/70/89/552367089.db2.gz 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CC(=O)c1ccc(C#N)cc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000302122178 563421327 /nfs/dbraw/zinc/42/13/27/563421327.db2.gz GPSZEDNFCYHPED-UHFFFAOYSA-N -1 3 383.882 2.866 20 30 GFEDHM N#Cc1cc(Br)ccc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000302150136 563422296 /nfs/dbraw/zinc/42/22/96/563422296.db2.gz HMOJOLKBKJFDCH-UHFFFAOYSA-N -1 3 386.249 2.989 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000428262753 563486894 /nfs/dbraw/zinc/48/68/94/563486894.db2.gz TZBNBKUKDZGSHB-UHFFFAOYSA-N -1 3 377.853 2.591 20 30 GFEDHM C[C@@H](Cc1ccc(F)c(Br)c1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428396671 563489961 /nfs/dbraw/zinc/48/99/61/563489961.db2.gz FYOLHXPSVIMSDC-JTQLQIEISA-N -1 3 398.257 2.764 20 30 GFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CCN1Cc1ccccc1 ZINC000379703509 563514805 /nfs/dbraw/zinc/51/48/05/563514805.db2.gz DYSASHXXSRJHSF-ZBFHGGJFSA-N -1 3 375.519 2.951 20 30 GFEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000330684164 563517403 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N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000443072686 563790257 /nfs/dbraw/zinc/79/02/57/563790257.db2.gz AZLMKZCYCFEBPQ-UHFFFAOYSA-N -1 3 383.788 2.780 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1Cl ZINC000443098032 563791888 /nfs/dbraw/zinc/79/18/88/563791888.db2.gz NJGQWUXKGLYUGR-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO1 ZINC000416502460 563839954 /nfs/dbraw/zinc/83/99/54/563839954.db2.gz MERNBMKNUMYILC-LLVKDONJSA-N -1 3 387.299 2.804 20 30 GFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416533250 563843907 /nfs/dbraw/zinc/84/39/07/563843907.db2.gz UGXJOYWYUNQVNF-UHFFFAOYSA-N -1 3 376.232 2.575 20 30 GFEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000416558074 563848209 /nfs/dbraw/zinc/84/82/09/563848209.db2.gz IDTPYCARQVKBFM-KBPBESRZSA-N -1 3 385.283 2.557 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2cccc(Br)c2)c(F)c1 ZINC000539803756 564228956 /nfs/dbraw/zinc/22/89/56/564228956.db2.gz XWNMKNLSUMLWSL-UHFFFAOYSA-N -1 3 398.257 2.850 20 30 GFEDHM COc1cc(Br)c([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1OC ZINC000509566654 564304348 /nfs/dbraw/zinc/30/43/48/564304348.db2.gz GDAKYJVOOZAPQL-UHFFFAOYSA-N -1 3 398.238 2.534 20 30 GFEDHM Cc1ccnc([C@@H]([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)n1 ZINC000451370233 564305509 /nfs/dbraw/zinc/30/55/09/564305509.db2.gz TZVCBYBKTQUBBV-INIZCTEOSA-N -1 3 376.869 2.934 20 30 GFEDHM COCCOc1ccccc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475585646 564313620 /nfs/dbraw/zinc/31/36/20/564313620.db2.gz FONUMTVMTPNVEG-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451487061 564317834 /nfs/dbraw/zinc/31/78/34/564317834.db2.gz FUNPEXODEDVXLT-OAHLLOKOSA-N -1 3 386.901 2.673 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2COc3ccccc3O2)c1 ZINC000476405740 564337812 /nfs/dbraw/zinc/33/78/12/564337812.db2.gz CEWDNGSJMXDNMU-CYBMUJFWSA-N -1 3 378.837 2.720 20 30 GFEDHM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C ZINC000451896441 564363347 /nfs/dbraw/zinc/36/33/47/564363347.db2.gz BTKWGCPOAHVKGG-KGLIPLIRSA-N -1 3 375.535 2.591 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000568774341 564434475 /nfs/dbraw/zinc/43/44/75/564434475.db2.gz BPFCJWWVRPVXEA-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM O=C([N-]C(CF)CF)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000453800355 564473699 /nfs/dbraw/zinc/47/36/99/564473699.db2.gz ZVLGAHFYHSUESV-UHFFFAOYSA-N -1 3 376.228 2.669 20 30 GFEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)OC ZINC000481601755 564518186 /nfs/dbraw/zinc/51/81/86/564518186.db2.gz DQCMFZBZDKQKKK-HNNXBMFYSA-N -1 3 383.853 2.516 20 30 GFEDHM Cn1ccc([C@@H]([N-]S(=O)(=O)CC2(C#N)CCC2)c2ccc(Cl)cc2)n1 ZINC000571426132 564551250 /nfs/dbraw/zinc/55/12/50/564551250.db2.gz HXQOUMAXIXGSLL-INIZCTEOSA-N -1 3 378.885 2.776 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c1 ZINC000553518580 564724245 /nfs/dbraw/zinc/72/42/45/564724245.db2.gz ISWIXMRRUJLZOB-UHFFFAOYSA-N -1 3 380.838 2.802 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000553773614 564736223 /nfs/dbraw/zinc/73/62/23/564736223.db2.gz KNIFELYQBZEKEV-UHFFFAOYSA-N -1 3 399.241 2.817 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000490460609 564772619 /nfs/dbraw/zinc/77/26/19/564772619.db2.gz XJQZUVATCYKBHJ-ZDUSSCGKSA-N -1 3 379.844 2.908 20 30 GFEDHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)cc1 ZINC000556304820 564817669 /nfs/dbraw/zinc/81/76/69/564817669.db2.gz UBTNBOHVZRGJJN-UHFFFAOYSA-N -1 3 395.282 2.578 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO[C@H]1C1CC1 ZINC000557833869 564879833 /nfs/dbraw/zinc/87/98/33/564879833.db2.gz LYIFTBVROGLVSB-JKSUJKDBSA-N -1 3 399.310 2.804 20 30 GFEDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000559641490 564938149 /nfs/dbraw/zinc/93/81/49/564938149.db2.gz YQQNFHWLHHCXBP-LBPRGKRZSA-N -1 3 396.310 2.959 20 30 GFEDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000532774401 564946020 /nfs/dbraw/zinc/94/60/20/564946020.db2.gz UBRIDUTXKBMIIZ-MRXNPFEDSA-N -1 3 395.278 2.641 20 30 GFEDHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000591327545 565224808 /nfs/dbraw/zinc/22/48/08/565224808.db2.gz QDILJQFWXZQLSC-UHFFFAOYSA-N -1 3 387.299 2.683 20 30 GFEDHM CCOCCOCc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593532199 565338240 /nfs/dbraw/zinc/33/82/40/565338240.db2.gz YPUHJVJHHGADQJ-UHFFFAOYSA-N -1 3 380.491 2.651 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593619744 565347081 /nfs/dbraw/zinc/34/70/81/565347081.db2.gz GFSBZNCIMFCWPC-UHFFFAOYSA-N -1 3 391.262 2.959 20 30 GFEDHM Cc1csc(S(=O)(=O)[N-]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593665464 565354868 /nfs/dbraw/zinc/35/48/68/565354868.db2.gz FVXNCTRYXVOZPN-UHFFFAOYSA-N -1 3 375.519 2.871 20 30 GFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000594720229 565410451 /nfs/dbraw/zinc/41/04/51/565410451.db2.gz IERPDHDLLCEPOB-UHFFFAOYSA-N -1 3 383.539 2.794 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCN1Cc1ccccc1 ZINC000595394560 565473050 /nfs/dbraw/zinc/47/30/50/565473050.db2.gz HSXSQLLQLDTCOF-HNNXBMFYSA-N -1 3 375.881 2.764 20 30 GFEDHM CC1(C(=O)C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCC1 ZINC000625549610 565637406 /nfs/dbraw/zinc/63/74/06/565637406.db2.gz ORQQXYDZBQWQFN-UHFFFAOYSA-N -1 3 385.283 2.748 20 30 GFEDHM C#CCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735375967 598851345 /nfs/dbraw/zinc/85/13/45/598851345.db2.gz VAVGNOIPTRTXTR-UHFFFAOYSA-N -1 3 376.420 2.899 20 30 GFEDHM C#CCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735375967 598851348 /nfs/dbraw/zinc/85/13/48/598851348.db2.gz VAVGNOIPTRTXTR-UHFFFAOYSA-N -1 3 376.420 2.899 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735460040 598919710 /nfs/dbraw/zinc/91/97/10/598919710.db2.gz CCFNZDPTXHDTOS-LJQANCHMSA-N -1 3 399.414 2.641 20 30 GFEDHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735460040 598919712 /nfs/dbraw/zinc/91/97/12/598919712.db2.gz CCFNZDPTXHDTOS-LJQANCHMSA-N -1 3 399.414 2.641 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(NC(=O)NC(C)C)cc1 ZINC000819772349 607253017 /nfs/dbraw/zinc/25/30/17/607253017.db2.gz DDMVZMVPLIOBHQ-UHFFFAOYSA-N -1 3 392.467 2.910 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(NC(=O)NC(C)C)cc1 ZINC000819772349 607253018 /nfs/dbraw/zinc/25/30/18/607253018.db2.gz DDMVZMVPLIOBHQ-UHFFFAOYSA-N -1 3 392.467 2.910 20 30 GFEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)c2)c1 ZINC000737730688 599003198 /nfs/dbraw/zinc/00/31/98/599003198.db2.gz PNDOUUKXYZYACZ-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)c2)c1 ZINC000737730688 599003200 /nfs/dbraw/zinc/00/32/00/599003200.db2.gz PNDOUUKXYZYACZ-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736416457 599026590 /nfs/dbraw/zinc/02/65/90/599026590.db2.gz NULKMWMOHPBFTQ-QGZVFWFLSA-N -1 3 376.420 2.868 20 30 GFEDHM Cc1ccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CCOCC2)cc1 ZINC000737327811 599193998 /nfs/dbraw/zinc/19/39/98/599193998.db2.gz BMTWZRJQIQUDEQ-UHFFFAOYSA-N -1 3 388.431 2.734 20 30 GFEDHM Cc1ccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CCOCC2)cc1 ZINC000737327811 599194000 /nfs/dbraw/zinc/19/40/00/599194000.db2.gz BMTWZRJQIQUDEQ-UHFFFAOYSA-N -1 3 388.431 2.734 20 30 GFEDHM N#CCn1c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc2ccccc21 ZINC000737705201 598289329 /nfs/dbraw/zinc/28/93/29/598289329.db2.gz LOLVLRNKQAGFOT-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM N#CCn1c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc2ccccc21 ZINC000737705201 598289331 /nfs/dbraw/zinc/28/93/31/598289331.db2.gz LOLVLRNKQAGFOT-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c(OC)c1 ZINC000737080753 598377033 /nfs/dbraw/zinc/37/70/33/598377033.db2.gz HGRPCJQCLFTFIU-CLFYSBASSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c(OC)c1 ZINC000737080753 598377035 /nfs/dbraw/zinc/37/70/35/598377035.db2.gz HGRPCJQCLFTFIU-CLFYSBASSA-N -1 3 379.420 2.836 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737685585 598385764 /nfs/dbraw/zinc/38/57/64/598385764.db2.gz DGRDULZECRGSRQ-MDZDMXLPSA-N -1 3 375.392 2.596 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737685585 598385766 /nfs/dbraw/zinc/38/57/66/598385766.db2.gz DGRDULZECRGSRQ-MDZDMXLPSA-N -1 3 375.392 2.596 20 30 GFEDHM N#Cc1ccccc1N1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737727017 598390108 /nfs/dbraw/zinc/39/01/08/598390108.db2.gz BOMVVTCABGYGIA-UHFFFAOYSA-N -1 3 380.843 2.503 20 30 GFEDHM N#Cc1ccccc1N1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737727017 598390110 /nfs/dbraw/zinc/39/01/10/598390110.db2.gz BOMVVTCABGYGIA-UHFFFAOYSA-N -1 3 380.843 2.503 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737280294 598443585 /nfs/dbraw/zinc/44/35/85/598443585.db2.gz PLOXGZADYLZTSK-UHFFFAOYSA-N -1 3 398.386 2.881 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737280294 598443587 /nfs/dbraw/zinc/44/35/87/598443587.db2.gz PLOXGZADYLZTSK-UHFFFAOYSA-N -1 3 398.386 2.881 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1sc(C)nc1C ZINC000735418452 598516049 /nfs/dbraw/zinc/51/60/49/598516049.db2.gz FHBHMHLSHKRMQF-UHFFFAOYSA-N -1 3 397.508 2.880 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1sc(C)nc1C ZINC000735418452 598516050 /nfs/dbraw/zinc/51/60/50/598516050.db2.gz FHBHMHLSHKRMQF-UHFFFAOYSA-N -1 3 397.508 2.880 20 30 GFEDHM C[C@@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735507258 598566537 /nfs/dbraw/zinc/56/65/37/598566537.db2.gz ZNZBYKAASXCGCS-NJPLLEPOSA-N -1 3 386.371 2.502 20 30 GFEDHM C[C@@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735507258 598566538 /nfs/dbraw/zinc/56/65/38/598566538.db2.gz ZNZBYKAASXCGCS-NJPLLEPOSA-N -1 3 386.371 2.502 20 30 GFEDHM CCn1c(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)nc2cc(F)ccc21 ZINC000736714901 598568875 /nfs/dbraw/zinc/56/88/75/598568875.db2.gz VRLDUINYDNLTRB-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM CCn1c(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)nc2cc(F)ccc21 ZINC000736714901 598568877 /nfs/dbraw/zinc/56/88/77/598568877.db2.gz VRLDUINYDNLTRB-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCOc1cccc(C=O)c1 ZINC000735418487 598588291 /nfs/dbraw/zinc/58/82/91/598588291.db2.gz FXMWEKYKNZFPJB-UHFFFAOYSA-N -1 3 391.431 2.663 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCOc1cccc(C=O)c1 ZINC000735418487 598588292 /nfs/dbraw/zinc/58/82/92/598588292.db2.gz FXMWEKYKNZFPJB-UHFFFAOYSA-N -1 3 391.431 2.663 20 30 GFEDHM Cc1c(C(=O)C=Cc2nccn2CC(F)(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203692 598641044 /nfs/dbraw/zinc/64/10/44/598641044.db2.gz VNFMZZVIRDHHKG-PLNGDYQASA-N -1 3 391.357 2.578 20 30 GFEDHM Cc1c(C(=O)C=Cc2nccn2CC(F)(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203692 598641047 /nfs/dbraw/zinc/64/10/47/598641047.db2.gz VNFMZZVIRDHHKG-PLNGDYQASA-N -1 3 391.357 2.578 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000735875606 598650911 /nfs/dbraw/zinc/65/09/11/598650911.db2.gz WUARIPRHURMLQN-UHFFFAOYSA-N -1 3 390.447 2.749 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000735875606 598650913 /nfs/dbraw/zinc/65/09/13/598650913.db2.gz WUARIPRHURMLQN-UHFFFAOYSA-N -1 3 390.447 2.749 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1ccccc1C ZINC000735426232 598708521 /nfs/dbraw/zinc/70/85/21/598708521.db2.gz MKUHOHBXALMZEO-UHFFFAOYSA-N -1 3 383.477 2.693 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1ccccc1C ZINC000735426232 598708522 /nfs/dbraw/zinc/70/85/22/598708522.db2.gz MKUHOHBXALMZEO-UHFFFAOYSA-N -1 3 383.477 2.693 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000822135938 599362864 /nfs/dbraw/zinc/36/28/64/599362864.db2.gz HFFCNBGODJZLCW-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000822135938 599362867 /nfs/dbraw/zinc/36/28/67/599362867.db2.gz HFFCNBGODJZLCW-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM N#Cc1ccc(Cl)cc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737719755 599428404 /nfs/dbraw/zinc/42/84/04/599428404.db2.gz WUQSBIMARKRSGG-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(Cl)cc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737719755 599428407 /nfs/dbraw/zinc/42/84/07/599428407.db2.gz WUQSBIMARKRSGG-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1cccc(Cl)c1N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822837699 599466518 /nfs/dbraw/zinc/46/65/18/599466518.db2.gz SJHJKYXWDLASMF-UHFFFAOYSA-N -1 3 379.855 2.714 20 30 GFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819976299 599553882 /nfs/dbraw/zinc/55/38/82/599553882.db2.gz TZXPPMUGWXSGKN-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819976299 599553885 /nfs/dbraw/zinc/55/38/85/599553885.db2.gz TZXPPMUGWXSGKN-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819745819 599679344 /nfs/dbraw/zinc/67/93/44/599679344.db2.gz SAFBHHZZPPIFTL-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819745819 599679345 /nfs/dbraw/zinc/67/93/45/599679345.db2.gz SAFBHHZZPPIFTL-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737371117 600039671 /nfs/dbraw/zinc/03/96/71/600039671.db2.gz ZEBRERVBUSLTPD-UHFFFAOYSA-N -1 3 379.460 2.779 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733880 607438649 /nfs/dbraw/zinc/43/86/49/607438649.db2.gz DMOYBGACOZKDKY-QGZVFWFLSA-N -1 3 376.420 2.629 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733880 607438650 /nfs/dbraw/zinc/43/86/50/607438650.db2.gz DMOYBGACOZKDKY-QGZVFWFLSA-N -1 3 376.420 2.629 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)[C@@H](C)C2)cc1 ZINC000737693027 600567880 /nfs/dbraw/zinc/56/78/80/600567880.db2.gz ICTQAWOCZVBCBJ-MGPUTAFESA-N -1 3 393.443 2.681 20 30 GFEDHM CCCN1C(=O)C(=NN=Cc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000821109890 607463024 /nfs/dbraw/zinc/46/30/24/607463024.db2.gz RODXPKDTJKKQPW-UHFFFAOYSA-N -1 3 377.383 2.586 20 30 GFEDHM CCCN1C(=O)C(=NN=Cc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000821109890 607463026 /nfs/dbraw/zinc/46/30/26/607463026.db2.gz RODXPKDTJKKQPW-UHFFFAOYSA-N -1 3 377.383 2.586 20 30 GFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000833071792 601026630 /nfs/dbraw/zinc/02/66/30/601026630.db2.gz LFUSXZPSXKMALD-IBGZPJMESA-N -1 3 377.400 2.699 20 30 GFEDHM CC(C)c1ccc([C@@H](CNCc2cnc3c(C#N)cnn3c2)NC(=O)[O-])cc1 ZINC000738884506 602335331 /nfs/dbraw/zinc/33/53/31/602335331.db2.gz XIKLOPUDKHMVTE-GOSISDBHSA-N -1 3 378.436 2.823 20 30 GFEDHM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000739011619 602379141 /nfs/dbraw/zinc/37/91/41/602379141.db2.gz QHWQDILUJYTXKX-DOMZBBRYSA-N -1 3 390.509 2.948 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)CC1 ZINC000823480916 603481100 /nfs/dbraw/zinc/48/11/00/603481100.db2.gz SDNYVFQZPAFSNP-UHFFFAOYSA-N -1 3 378.517 2.591 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823925946 607653872 /nfs/dbraw/zinc/65/38/72/607653872.db2.gz RWSYRFGCQREJPK-UHFFFAOYSA-N -1 3 377.408 2.735 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823925946 607653875 /nfs/dbraw/zinc/65/38/75/607653875.db2.gz RWSYRFGCQREJPK-UHFFFAOYSA-N -1 3 377.408 2.735 20 30 GFEDHM COc1ccc(Br)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826186741 607654423 /nfs/dbraw/zinc/65/44/23/607654423.db2.gz JAHWBQINDYXHKY-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM COc1ccc(Br)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826186741 607654425 /nfs/dbraw/zinc/65/44/25/607654425.db2.gz JAHWBQINDYXHKY-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM N#CCC[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381547 607709169 /nfs/dbraw/zinc/70/91/69/607709169.db2.gz PVSJWMYBQMTSOH-GOSISDBHSA-N -1 3 391.435 2.590 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000819745600 606142929 /nfs/dbraw/zinc/14/29/29/606142929.db2.gz LQLKSGPBWCSLQH-BENRWUELSA-N -1 3 399.451 2.995 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000819745600 606142931 /nfs/dbraw/zinc/14/29/31/606142931.db2.gz LQLKSGPBWCSLQH-BENRWUELSA-N -1 3 399.451 2.995 20 30 GFEDHM C=CCc1ccc(OCC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000819758895 606260867 /nfs/dbraw/zinc/26/08/67/606260867.db2.gz JCLMZRFVUDMULL-UHFFFAOYSA-N -1 3 383.383 2.760 20 30 GFEDHM C=CCc1ccc(OCC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000819758895 606260869 /nfs/dbraw/zinc/26/08/69/606260869.db2.gz JCLMZRFVUDMULL-UHFFFAOYSA-N -1 3 383.383 2.760 20 30 GFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822924254 606304770 /nfs/dbraw/zinc/30/47/70/606304770.db2.gz ZMDNBLITTIBJLC-RQOWECAXSA-N -1 3 385.424 2.800 20 30 GFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822924254 606304772 /nfs/dbraw/zinc/30/47/72/606304772.db2.gz ZMDNBLITTIBJLC-RQOWECAXSA-N -1 3 385.424 2.800 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820548506 606411931 /nfs/dbraw/zinc/41/19/31/606411931.db2.gz AXXNBYAICZGESE-NSHDSACASA-N -1 3 382.811 2.822 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820548506 606411933 /nfs/dbraw/zinc/41/19/33/606411933.db2.gz AXXNBYAICZGESE-NSHDSACASA-N -1 3 382.811 2.822 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822801957 606447236 /nfs/dbraw/zinc/44/72/36/606447236.db2.gz SGPXMGNELISPOH-MSOLQXFVSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822801957 606447239 /nfs/dbraw/zinc/44/72/39/606447239.db2.gz SGPXMGNELISPOH-MSOLQXFVSA-N -1 3 388.431 2.544 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000822842534 606481092 /nfs/dbraw/zinc/48/10/92/606481092.db2.gz MVFHWTAIHQRZLG-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000822842534 606481094 /nfs/dbraw/zinc/48/10/94/606481094.db2.gz MVFHWTAIHQRZLG-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(Br)c1 ZINC000822801740 606556050 /nfs/dbraw/zinc/55/60/50/606556050.db2.gz NOJINEVCWKDTOO-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(Br)c1 ZINC000822801740 606556052 /nfs/dbraw/zinc/55/60/52/606556052.db2.gz NOJINEVCWKDTOO-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820219940 606657124 /nfs/dbraw/zinc/65/71/24/606657124.db2.gz LRYJYORHZXNSDG-LBPRGKRZSA-N -1 3 378.396 2.820 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cc1Cl ZINC000822833354 606713198 /nfs/dbraw/zinc/71/31/98/606713198.db2.gz OJESCAIRTWTDDE-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#CCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822811371 606746597 /nfs/dbraw/zinc/74/65/97/606746597.db2.gz YCQIBSXLYVADBD-UHFFFAOYSA-N -1 3 384.396 2.639 20 30 GFEDHM N#CCOc1cc(F)ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822811371 606746599 /nfs/dbraw/zinc/74/65/99/606746599.db2.gz YCQIBSXLYVADBD-UHFFFAOYSA-N -1 3 384.396 2.639 20 30 GFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820379321 606771461 /nfs/dbraw/zinc/77/14/61/606771461.db2.gz AITBCKMOXAPILH-LLVKDONJSA-N -1 3 381.371 2.791 20 30 GFEDHM C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820379321 606771462 /nfs/dbraw/zinc/77/14/62/606771462.db2.gz AITBCKMOXAPILH-LLVKDONJSA-N -1 3 381.371 2.791 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000819743898 606774841 /nfs/dbraw/zinc/77/48/41/606774841.db2.gz SEEZMZAKZYYFLG-KSZLIROESA-N -1 3 382.468 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000819743898 606774843 /nfs/dbraw/zinc/77/48/43/606774843.db2.gz SEEZMZAKZYYFLG-KSZLIROESA-N -1 3 382.468 2.522 20 30 GFEDHM CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000819773984 606838936 /nfs/dbraw/zinc/83/89/36/606838936.db2.gz ZPZYQJHKBKTUCM-UHFFFAOYSA-N -1 3 397.389 2.873 20 30 GFEDHM CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000819773984 606838937 /nfs/dbraw/zinc/83/89/37/606838937.db2.gz ZPZYQJHKBKTUCM-UHFFFAOYSA-N -1 3 397.389 2.873 20 30 GFEDHM Cc1cc(C(=O)Nc2cc(CC#N)ccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177088 606955405 /nfs/dbraw/zinc/95/54/05/606955405.db2.gz UCXCBOLDGALMND-UHFFFAOYSA-N -1 3 398.430 2.988 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C)c1ccccc1C#N ZINC000821701608 606971886 /nfs/dbraw/zinc/97/18/86/606971886.db2.gz VSSVTNQCFIEDEI-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C)c1ccccc1C#N ZINC000821701608 606971888 /nfs/dbraw/zinc/97/18/88/606971888.db2.gz VSSVTNQCFIEDEI-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822542572 606991970 /nfs/dbraw/zinc/99/19/70/606991970.db2.gz ZVHCLXTVLOIVBP-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822542572 606991971 /nfs/dbraw/zinc/99/19/71/606991971.db2.gz ZVHCLXTVLOIVBP-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825423 607099061 /nfs/dbraw/zinc/09/90/61/607099061.db2.gz FGAALPWCAGNKPV-JZKFVHIFSA-N -1 3 381.442 2.928 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821309326 607099852 /nfs/dbraw/zinc/09/98/52/607099852.db2.gz MRJQTQYEGYWSIN-GFCCVEGCSA-N -1 3 377.408 2.576 20 30 GFEDHM COc1cc(C#N)ccc1OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821702937 607235901 /nfs/dbraw/zinc/23/59/01/607235901.db2.gz ICIGABUDNJBFLG-UHFFFAOYSA-N -1 3 379.376 2.510 20 30 GFEDHM COc1cc(C#N)ccc1OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821702937 607235902 /nfs/dbraw/zinc/23/59/02/607235902.db2.gz ICIGABUDNJBFLG-UHFFFAOYSA-N -1 3 379.376 2.510 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Oc1ccc(C#N)cc1F ZINC000821701099 607250294 /nfs/dbraw/zinc/25/02/94/607250294.db2.gz BDYDMYVFZBDJSX-UHFFFAOYSA-N -1 3 397.366 2.651 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Oc1ccc(C#N)cc1F ZINC000821701099 607250295 /nfs/dbraw/zinc/25/02/95/607250295.db2.gz BDYDMYVFZBDJSX-UHFFFAOYSA-N -1 3 397.366 2.651 20 30 GFEDHM C[C@H](C#N)CN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000824034428 607834591 /nfs/dbraw/zinc/83/45/91/607834591.db2.gz JPGDUDIQHVZXMI-SECBINFHSA-N -1 3 377.355 2.624 20 30 GFEDHM C[C@H](C#N)CN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000824034428 607834592 /nfs/dbraw/zinc/83/45/92/607834592.db2.gz JPGDUDIQHVZXMI-SECBINFHSA-N -1 3 377.355 2.624 20 30 GFEDHM N#Cc1cc(Br)ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826383750 607874226 /nfs/dbraw/zinc/87/42/26/607874226.db2.gz OIYVVJMXVFEBCM-AWEZNQCLSA-N -1 3 386.209 2.613 20 30 GFEDHM N#Cc1cc(Br)ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826383750 607874227 /nfs/dbraw/zinc/87/42/27/607874227.db2.gz OIYVVJMXVFEBCM-AWEZNQCLSA-N -1 3 386.209 2.613 20 30 GFEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1ccccc1-c1nn[nH]n1 ZINC000826512050 607885074 /nfs/dbraw/zinc/88/50/74/607885074.db2.gz MVUSFPHBWJCIPL-UHFFFAOYSA-N -1 3 394.489 2.921 20 30 GFEDHM CCc1nc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c2ccccn12 ZINC000825746155 607887924 /nfs/dbraw/zinc/88/79/24/607887924.db2.gz SIOIGRTZRXCVMZ-UHFFFAOYSA-N -1 3 379.428 2.808 20 30 GFEDHM CCc1nc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c2ccccn12 ZINC000825746155 607887925 /nfs/dbraw/zinc/88/79/25/607887925.db2.gz SIOIGRTZRXCVMZ-UHFFFAOYSA-N -1 3 379.428 2.808 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824104347 607890074 /nfs/dbraw/zinc/89/00/74/607890074.db2.gz PZBFQBYUPYUYFT-OAHLLOKOSA-N -1 3 385.472 2.589 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824104347 607890075 /nfs/dbraw/zinc/89/00/75/607890075.db2.gz PZBFQBYUPYUYFT-OAHLLOKOSA-N -1 3 385.472 2.589 20 30 GFEDHM N#CCc1ccc(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382282 607965136 /nfs/dbraw/zinc/96/51/36/607965136.db2.gz WXRGZOPNQXEUIK-UHFFFAOYSA-N -1 3 378.461 2.596 20 30 GFEDHM N#CCc1ccc(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382282 607965137 /nfs/dbraw/zinc/96/51/37/607965137.db2.gz WXRGZOPNQXEUIK-UHFFFAOYSA-N -1 3 378.461 2.596 20 30 GFEDHM C#Cc1cccc(NC(=S)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823862004 608047147 /nfs/dbraw/zinc/04/71/47/608047147.db2.gz WXFLRFRNAIOMPY-GOSISDBHSA-N -1 3 390.472 2.618 20 30 GFEDHM C#Cc1cccc(NC(=S)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000823862004 608047148 /nfs/dbraw/zinc/04/71/48/608047148.db2.gz WXFLRFRNAIOMPY-GOSISDBHSA-N -1 3 390.472 2.618 20 30 GFEDHM COCC#CCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826147426 608104362 /nfs/dbraw/zinc/10/43/62/608104362.db2.gz XJUYJKBQCIJDPH-UHFFFAOYSA-N -1 3 380.429 2.825 20 30 GFEDHM COCC#CCOC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826147426 608104363 /nfs/dbraw/zinc/10/43/63/608104363.db2.gz XJUYJKBQCIJDPH-UHFFFAOYSA-N -1 3 380.429 2.825 20 30 GFEDHM N#CCOc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826382088 608163499 /nfs/dbraw/zinc/16/34/99/608163499.db2.gz NWUVZVCDCIURHT-UHFFFAOYSA-N -1 3 399.754 2.583 20 30 GFEDHM N#CCOc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826382088 608163501 /nfs/dbraw/zinc/16/35/01/608163501.db2.gz NWUVZVCDCIURHT-UHFFFAOYSA-N -1 3 399.754 2.583 20 30 GFEDHM N#Cc1ccc2nc(N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)ccc2c1 ZINC000826385909 608235005 /nfs/dbraw/zinc/23/50/05/608235005.db2.gz GYEWRXVVOZFUCO-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1ccc2nc(N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)ccc2c1 ZINC000826385909 608235006 /nfs/dbraw/zinc/23/50/06/608235006.db2.gz GYEWRXVVOZFUCO-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM C=CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000823903691 608266774 /nfs/dbraw/zinc/26/67/74/608266774.db2.gz HLNJNMMUBKJODC-UHFFFAOYSA-N -1 3 395.467 2.515 20 30 GFEDHM C=CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000823903691 608266776 /nfs/dbraw/zinc/26/67/76/608266776.db2.gz HLNJNMMUBKJODC-UHFFFAOYSA-N -1 3 395.467 2.515 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1c(Cl)nc2ccccn21 ZINC000826173310 608324232 /nfs/dbraw/zinc/32/42/32/608324232.db2.gz XGEHUCOJXBEXGZ-UHFFFAOYSA-N -1 3 383.799 2.727 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1c(Cl)nc2ccccn21 ZINC000826173310 608324233 /nfs/dbraw/zinc/32/42/33/608324233.db2.gz XGEHUCOJXBEXGZ-UHFFFAOYSA-N -1 3 383.799 2.727 20 30 GFEDHM C[C@@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824045314 608465056 /nfs/dbraw/zinc/46/50/56/608465056.db2.gz LERDIZUTBBMCJB-HNNXBMFYSA-N -1 3 399.458 2.855 20 30 GFEDHM C[C@@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824045314 608465058 /nfs/dbraw/zinc/46/50/58/608465058.db2.gz LERDIZUTBBMCJB-HNNXBMFYSA-N -1 3 399.458 2.855 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000826187364 608879357 /nfs/dbraw/zinc/87/93/57/608879357.db2.gz MTSMHDKFSZGFNB-DAXSKMNVSA-N -1 3 381.367 2.869 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000826187364 608879358 /nfs/dbraw/zinc/87/93/58/608879358.db2.gz MTSMHDKFSZGFNB-DAXSKMNVSA-N -1 3 381.367 2.869 20 30 GFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823838449 609150661 /nfs/dbraw/zinc/15/06/61/609150661.db2.gz QMRUYMHUUCPLOJ-IBGZPJMESA-N -1 3 398.426 2.762 20 30 GFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823838449 609150663 /nfs/dbraw/zinc/15/06/63/609150663.db2.gz QMRUYMHUUCPLOJ-IBGZPJMESA-N -1 3 398.426 2.762 20 30 GFEDHM N#Cc1cnc2ccccc2c1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826387763 609166917 /nfs/dbraw/zinc/16/69/17/609166917.db2.gz PWEXYYCUFAPCIZ-UHFFFAOYSA-N -1 3 393.414 2.711 20 30 GFEDHM N#Cc1cnc2ccccc2c1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826387763 609166919 /nfs/dbraw/zinc/16/69/19/609166919.db2.gz PWEXYYCUFAPCIZ-UHFFFAOYSA-N -1 3 393.414 2.711 20 30 GFEDHM CSc1nc(C2CC2)cc(C(=O)N2CCC(C)(C#N)CC2)c1-c1nnn[n-]1 ZINC000826231350 609263680 /nfs/dbraw/zinc/26/36/80/609263680.db2.gz HUFVOIIYNMNNQP-UHFFFAOYSA-N -1 3 383.481 2.627 20 30 GFEDHM COc1ccc(C#N)cc1CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826186927 609278637 /nfs/dbraw/zinc/27/86/37/609278637.db2.gz QKDODHQWXXRASO-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826256878 609292593 /nfs/dbraw/zinc/29/25/93/609292593.db2.gz DRTLZWJJMGQZDF-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826385025 609337721 /nfs/dbraw/zinc/33/77/21/609337721.db2.gz UKGXNHZHQBMCQU-UHFFFAOYSA-N -1 3 384.193 2.858 20 30 GFEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826385025 609337722 /nfs/dbraw/zinc/33/77/22/609337722.db2.gz UKGXNHZHQBMCQU-UHFFFAOYSA-N -1 3 384.193 2.858 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000823910217 609411067 /nfs/dbraw/zinc/41/10/67/609411067.db2.gz ZEIVXZUBTVHSNJ-ZDUSSCGKSA-N -1 3 381.415 2.860 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000823910217 609411068 /nfs/dbraw/zinc/41/10/68/609411068.db2.gz ZEIVXZUBTVHSNJ-ZDUSSCGKSA-N -1 3 381.415 2.860 20 30 GFEDHM S=C1N=NC(CSc2ccccc2)N1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826511929 609453369 /nfs/dbraw/zinc/45/33/69/609453369.db2.gz JRRBUGZOVPKPRA-UHFFFAOYSA-N -1 3 394.489 2.921 20 30 GFEDHM S=C1N=NC(CSc2ccccc2)N1N=Cc1ccccc1-c1nn[n-]n1 ZINC000826511929 609453370 /nfs/dbraw/zinc/45/33/70/609453370.db2.gz JRRBUGZOVPKPRA-UHFFFAOYSA-N -1 3 394.489 2.921 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824035373 609512232 /nfs/dbraw/zinc/51/22/32/609512232.db2.gz YEFKVTFTNUSFTO-LLVKDONJSA-N -1 3 397.826 2.862 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824035373 609512234 /nfs/dbraw/zinc/51/22/34/609512234.db2.gz YEFKVTFTNUSFTO-LLVKDONJSA-N -1 3 397.826 2.862 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000826257148 609521923 /nfs/dbraw/zinc/52/19/23/609521923.db2.gz PPAXLPSMTGFWSB-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1 ZINC000826257148 609521927 /nfs/dbraw/zinc/52/19/27/609521927.db2.gz PPAXLPSMTGFWSB-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM Cc1c(Cl)cnc(N2CCN(c3cccc(F)c3C#N)CC2)c1-c1nnn[n-]1 ZINC000826238013 609532677 /nfs/dbraw/zinc/53/26/77/609532677.db2.gz TWSGLQYOJWDIPG-UHFFFAOYSA-N -1 3 398.833 2.561 20 30 GFEDHM Cc1c(Cl)cnc(N2CCN(c3cccc(F)c3C#N)CC2)c1-c1nn[n-]n1 ZINC000826238013 609532680 /nfs/dbraw/zinc/53/26/80/609532680.db2.gz TWSGLQYOJWDIPG-UHFFFAOYSA-N -1 3 398.833 2.561 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826243048 609552553 /nfs/dbraw/zinc/55/25/53/609552553.db2.gz RPFUXNIPJYJNMI-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826243048 609552555 /nfs/dbraw/zinc/55/25/55/609552555.db2.gz RPFUXNIPJYJNMI-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826261853 609627388 /nfs/dbraw/zinc/62/73/88/609627388.db2.gz VDYQMSXBXFVWSM-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826261853 609627389 /nfs/dbraw/zinc/62/73/89/609627389.db2.gz VDYQMSXBXFVWSM-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000123930673 654766034 /nfs/dbraw/zinc/76/60/34/654766034.db2.gz HDXDRHIXALLXFW-SVXRXWARSA-N -1 3 383.267 2.982 20 30 GFEDHM C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000125774428 654801853 /nfs/dbraw/zinc/80/18/53/654801853.db2.gz LJGUINFBXHGSFC-JTQLQIEISA-N -1 3 381.816 2.922 20 30 GFEDHM Cc1oc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1S(N)(=O)=O ZINC000268206394 654963239 /nfs/dbraw/zinc/96/32/39/654963239.db2.gz ZHIIJQSJQACYJF-SNVBAGLBSA-N -1 3 379.463 2.882 20 30 GFEDHM CCN(CCC#N)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271349212 655077076 /nfs/dbraw/zinc/07/70/76/655077076.db2.gz VWVQPIBUBMMLEU-UHFFFAOYSA-N -1 3 395.200 2.921 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCCC#N)c(Cl)cc1Cl ZINC000273137279 655131821 /nfs/dbraw/zinc/13/18/21/655131821.db2.gz WNAQVAQFBQAPBO-UHFFFAOYSA-N -1 3 392.308 2.961 20 30 GFEDHM C=C(Cl)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000265558185 655485749 /nfs/dbraw/zinc/48/57/49/655485749.db2.gz RROPUGDSYLBMLW-UHFFFAOYSA-N -1 3 383.684 2.916 20 30 GFEDHM CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cn[n-]c1C ZINC000732216085 655593032 /nfs/dbraw/zinc/59/30/32/655593032.db2.gz QDSMWAPZBAODHA-UHFFFAOYSA-N -1 3 386.227 2.519 20 30 GFEDHM CC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000733938195 655623715 /nfs/dbraw/zinc/62/37/15/655623715.db2.gz YBBFOYIDSJLWSB-NSHDSACASA-N -1 3 397.909 2.708 20 30 GFEDHM C[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000743044937 655725716 /nfs/dbraw/zinc/72/57/16/655725716.db2.gz UWIJQPMVLOGJSC-JMPMTEOZSA-N -1 3 377.242 2.501 20 30 GFEDHM COc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)c(Br)c1[O-] ZINC000760996822 655995851 /nfs/dbraw/zinc/99/58/51/655995851.db2.gz KCGVGAYLSDVTLB-UHFFFAOYSA-N -1 3 399.266 2.784 20 30 GFEDHM CCN(CC)c1ccnc(N=NCc2cc(O)c([O-])c(Br)c2)n1 ZINC000762617716 656051646 /nfs/dbraw/zinc/05/16/46/656051646.db2.gz OBBJMVFGJOYSMJ-UHFFFAOYSA-N -1 3 380.246 2.943 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000762673184 656054591 /nfs/dbraw/zinc/05/45/91/656054591.db2.gz QWQABWLMBJMJRQ-BFYDXBDKSA-N -1 3 377.535 2.704 20 30 GFEDHM COc1cc(C=NOCC(F)(F)F)cc(I)c1[O-] ZINC000764840866 656121312 /nfs/dbraw/zinc/12/13/12/656121312.db2.gz SCBUWVRCDNQECR-UHFFFAOYSA-N -1 3 375.084 2.918 20 30 GFEDHM COc1ccc2nc(C=N[N-]S(=O)(=O)CCc3ccccc3)sc2c1 ZINC000788716272 657778040 /nfs/dbraw/zinc/77/80/40/657778040.db2.gz UQNBIHMKJGXLOO-UHFFFAOYSA-N -1 3 375.475 2.801 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)[C@H](C)C(F)(F)F)ccc1F ZINC000794206125 658501187 /nfs/dbraw/zinc/50/11/87/658501187.db2.gz AJMBRYBQQKYFJV-SNVBAGLBSA-N -1 3 382.379 2.703 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1ccc(Cl)cc1F ZINC000796085794 658888018 /nfs/dbraw/zinc/88/80/18/658888018.db2.gz FGTMKKXUNSXRET-AWEZNQCLSA-N -1 3 385.800 2.820 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC2(C#N)CCC2)cc(C(F)(F)F)c1 ZINC000796850573 658942692 /nfs/dbraw/zinc/94/26/92/658942692.db2.gz MTGBDBSVBOULIB-UHFFFAOYSA-N -1 3 376.356 2.928 20 30 GFEDHM COc1ccccc1CCNC(=O)C/N=C/c1cc(Br)ccc1[O-] ZINC000797784774 659050706 /nfs/dbraw/zinc/05/07/06/659050706.db2.gz ICZTWIITLDZPTC-RGVLZGJSSA-N -1 3 391.265 2.941 20 30 GFEDHM C=CCCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000805103711 659740034 /nfs/dbraw/zinc/74/00/34/659740034.db2.gz AWEHHTQRUKLPAA-UHFFFAOYSA-N -1 3 378.491 2.612 20 30 GFEDHM C=CCN(C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC000807454664 659855964 /nfs/dbraw/zinc/85/59/64/659855964.db2.gz RWEYVFWQJADZHS-UHFFFAOYSA-N -1 3 394.324 2.878 20 30 GFEDHM N#Cc1cc([O-])cc(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000811185992 660003629 /nfs/dbraw/zinc/00/36/29/660003629.db2.gz ZAVHOKAWTRMKKF-AWEZNQCLSA-N -1 3 393.168 2.549 20 30 GFEDHM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)N([O-])Cc1ccccc1Cl ZINC000904190302 663827447 /nfs/dbraw/zinc/82/74/47/663827447.db2.gz JRSFXYZDZZWTQF-YCPHGPKFSA-N -1 3 383.901 2.784 20 30 GFEDHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907127803 664004915 /nfs/dbraw/zinc/00/49/15/664004915.db2.gz IVHUBKFGXJFZIH-SECBINFHSA-N -1 3 392.380 2.545 20 30 GFEDHM COc1cc(C=Nn2c(=O)c(C(C)(C)C)nnc2SC)cc(Cl)c1[O-] ZINC000912828553 664303658 /nfs/dbraw/zinc/30/36/58/664303658.db2.gz YFMHCXOSAVIQIA-UHFFFAOYSA-N -1 3 382.873 2.908 20 30 GFEDHM CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000916155630 664452213 /nfs/dbraw/zinc/45/22/13/664452213.db2.gz OCOSDKNZJNWEPB-BAQGIRSFSA-N -1 3 381.837 2.858 20 30 GFEDHM CCCCCCC[C@H](C)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000918380418 664498630 /nfs/dbraw/zinc/49/86/30/664498630.db2.gz BEDNVOSKGZCANR-LBPRGKRZSA-N -1 3 388.306 2.824 20 30 GFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000121800762 551242924 /nfs/dbraw/zinc/24/29/24/551242924.db2.gz MMFHTXLWILTCBF-LLVKDONJSA-N -1 3 376.232 2.574 20 30 GFEDHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000124199460 551312081 /nfs/dbraw/zinc/31/20/81/551312081.db2.gz PRBMRZBDIMGLLR-CYBMUJFWSA-N -1 3 378.416 2.900 20 30 GFEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)s1 ZINC000124459173 551314521 /nfs/dbraw/zinc/31/45/21/551314521.db2.gz RRPFUVGKJTUXOY-MRXNPFEDSA-N -1 3 377.491 2.708 20 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C=CCC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CCCC1 ZINC000657188527 565087586 /nfs/dbraw/zinc/08/75/86/565087586.db2.gz DYHUJRCRRAOKHJ-UHFFFAOYSA-N -1 3 386.901 2.875 20 30 GFEDHM C[C@@](CO)([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccc1 ZINC000588116106 565126465 /nfs/dbraw/zinc/12/64/65/565126465.db2.gz YFSRJQPAADTJNI-INIZCTEOSA-N -1 3 395.278 2.507 20 30 GFEDHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588114378 565126631 /nfs/dbraw/zinc/12/66/31/565126631.db2.gz KTMORPHQJOZDGF-UHFFFAOYSA-N -1 3 376.415 2.631 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000590762915 565202069 /nfs/dbraw/zinc/20/20/69/565202069.db2.gz MNEMABJSGVTLFY-CZUORRHYSA-N -1 3 377.853 2.805 20 30 GFEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461675 565342000 /nfs/dbraw/zinc/34/20/00/565342000.db2.gz OVCMKLZWHMPVRF-UHFFFAOYSA-N -1 3 377.853 2.909 20 30 GFEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 ZINC000619681793 565355417 /nfs/dbraw/zinc/35/54/17/565355417.db2.gz ALYZYVPDPMYLMD-UHFFFAOYSA-N -1 3 381.885 2.833 20 30 GFEDHM Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cn1 ZINC000594859727 565431784 /nfs/dbraw/zinc/43/17/84/565431784.db2.gz IPBDTCOGNVKLGV-GOEBONIOSA-N -1 3 378.885 2.635 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2Cc2ccccc2)c(Cl)c1 ZINC000595394651 565473099 /nfs/dbraw/zinc/47/30/99/565473099.db2.gz YJJJHSGVYKYVES-MRXNPFEDSA-N -1 3 375.881 2.764 20 30 GFEDHM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCCC)cc2)C1 ZINC000625349621 565622249 /nfs/dbraw/zinc/62/22/49/565622249.db2.gz CVLDPBFIBBZUPU-OAHLLOKOSA-N -1 3 386.539 2.815 20 30 GFEDHM Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1C#N ZINC000599255501 565664664 /nfs/dbraw/zinc/66/46/64/565664664.db2.gz DMYBXFCGQNUUJZ-UHFFFAOYSA-N -1 3 375.519 2.871 20 30 GFEDHM N#CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000609334505 566035638 /nfs/dbraw/zinc/03/56/38/566035638.db2.gz GINUQBDCTMZSKV-UHFFFAOYSA-N -1 3 381.807 2.625 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Br)cc2)c(F)c1 ZINC000610083738 566065831 /nfs/dbraw/zinc/06/58/31/566065831.db2.gz GTKNRCDYWSDRPX-UHFFFAOYSA-N -1 3 399.241 2.817 20 30 GFEDHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cs1 ZINC000610583612 566088759 /nfs/dbraw/zinc/08/87/59/566088759.db2.gz DCZMHYXNPBVSFX-UHFFFAOYSA-N -1 3 390.412 2.578 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000735436559 598895472 /nfs/dbraw/zinc/89/54/72/598895472.db2.gz NJCQDEHCWLMGEM-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000735436559 598895473 /nfs/dbraw/zinc/89/54/73/598895473.db2.gz NJCQDEHCWLMGEM-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM CCCOc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736491893 598916469 /nfs/dbraw/zinc/91/64/69/598916469.db2.gz FMKAYZSLZAWEHA-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM CCCOc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736491893 598916470 /nfs/dbraw/zinc/91/64/70/598916470.db2.gz FMKAYZSLZAWEHA-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737547496 598916796 /nfs/dbraw/zinc/91/67/96/598916796.db2.gz KDEOISBOIJCYBD-UHFFFAOYSA-N -1 3 385.387 2.883 20 30 GFEDHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737547496 598916798 /nfs/dbraw/zinc/91/67/98/598916798.db2.gz KDEOISBOIJCYBD-UHFFFAOYSA-N -1 3 385.387 2.883 20 30 GFEDHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000735499636 598924474 /nfs/dbraw/zinc/92/44/74/598924474.db2.gz PXYCTALSJYWAAV-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000735499636 598924476 /nfs/dbraw/zinc/92/44/76/598924476.db2.gz PXYCTALSJYWAAV-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737396046 598932501 /nfs/dbraw/zinc/93/25/01/598932501.db2.gz LAAZRTBEZJAUJQ-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737396046 598932503 /nfs/dbraw/zinc/93/25/03/598932503.db2.gz LAAZRTBEZJAUJQ-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735380136 599094594 /nfs/dbraw/zinc/09/45/94/599094594.db2.gz DGBHGUDIBQBSMJ-UHFFFAOYSA-N -1 3 397.435 2.890 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735380136 599094598 /nfs/dbraw/zinc/09/45/98/599094598.db2.gz DGBHGUDIBQBSMJ-UHFFFAOYSA-N -1 3 397.435 2.890 20 30 GFEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000821786510 599115783 /nfs/dbraw/zinc/11/57/83/599115783.db2.gz FCWRDSBDVJXMBC-MDWZMJQESA-N -1 3 377.360 2.996 20 30 GFEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000821786510 599115785 /nfs/dbraw/zinc/11/57/85/599115785.db2.gz FCWRDSBDVJXMBC-MDWZMJQESA-N -1 3 377.360 2.996 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000737080628 599151044 /nfs/dbraw/zinc/15/10/44/599151044.db2.gz FESQHRZGJMPZTN-WAPJZHGLSA-N -1 3 391.431 2.608 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000737080628 599151046 /nfs/dbraw/zinc/15/10/46/599151046.db2.gz FESQHRZGJMPZTN-WAPJZHGLSA-N -1 3 391.431 2.608 20 30 GFEDHM N#Cc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737717056 599200729 /nfs/dbraw/zinc/20/07/29/599200729.db2.gz YCXNZBCNCFQQOW-UHFFFAOYSA-N -1 3 391.416 2.503 20 30 GFEDHM N#Cc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737717056 599200731 /nfs/dbraw/zinc/20/07/31/599200731.db2.gz YCXNZBCNCFQQOW-UHFFFAOYSA-N -1 3 391.416 2.503 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(Oc3cnccn3)c2)ccc1-c1nnn[n-]1 ZINC000737710216 599200734 /nfs/dbraw/zinc/20/07/34/599200734.db2.gz VMNXMVMFJAMADA-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(Oc3cnccn3)c2)ccc1-c1nn[n-]n1 ZINC000737710216 599200736 /nfs/dbraw/zinc/20/07/36/599200736.db2.gz VMNXMVMFJAMADA-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820155433 599263718 /nfs/dbraw/zinc/26/37/18/599263718.db2.gz PYWWUEAORQGQHK-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820155433 599263720 /nfs/dbraw/zinc/26/37/20/599263720.db2.gz PYWWUEAORQGQHK-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735443003 598286634 /nfs/dbraw/zinc/28/66/34/598286634.db2.gz LZVPAIMSOKDAPN-UHFFFAOYSA-N -1 3 380.364 2.521 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735443003 598286636 /nfs/dbraw/zinc/28/66/36/598286636.db2.gz LZVPAIMSOKDAPN-UHFFFAOYSA-N -1 3 380.364 2.521 20 30 GFEDHM Oc1ccc2c(c1)OCC2=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738401536 598315430 /nfs/dbraw/zinc/31/54/30/598315430.db2.gz ULIDUJUUFPJPMT-UHFFFAOYSA-N -1 3 376.298 2.800 20 30 GFEDHM Oc1ccc2c(c1)OCC2=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738401536 598315432 /nfs/dbraw/zinc/31/54/32/598315432.db2.gz ULIDUJUUFPJPMT-UHFFFAOYSA-N -1 3 376.298 2.800 20 30 GFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737802769 598378844 /nfs/dbraw/zinc/37/88/44/598378844.db2.gz XPIHWPQTNDVARV-WTKPLQERSA-N -1 3 375.432 2.724 20 30 GFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737802769 598378846 /nfs/dbraw/zinc/37/88/46/598378846.db2.gz XPIHWPQTNDVARV-WTKPLQERSA-N -1 3 375.432 2.724 20 30 GFEDHM CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505582 598382889 /nfs/dbraw/zinc/38/28/89/598382889.db2.gz OIXHFWQNJQRYLF-AWEZNQCLSA-N -1 3 375.436 2.760 20 30 GFEDHM CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505582 598382891 /nfs/dbraw/zinc/38/28/91/598382891.db2.gz OIXHFWQNJQRYLF-AWEZNQCLSA-N -1 3 375.436 2.760 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737685572 598385645 /nfs/dbraw/zinc/38/56/45/598385645.db2.gz DGRDULZECRGSRQ-KTKRTIGZSA-N -1 3 375.392 2.596 20 30 GFEDHM N#CCCCOc1cccnc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737685572 598385646 /nfs/dbraw/zinc/38/56/46/598385646.db2.gz DGRDULZECRGSRQ-KTKRTIGZSA-N -1 3 375.392 2.596 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735735578 598584412 /nfs/dbraw/zinc/58/44/12/598584412.db2.gz NTTBVYRXHLOCIF-KRWDZBQOSA-N -1 3 380.383 2.920 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735735578 598584414 /nfs/dbraw/zinc/58/44/14/598584414.db2.gz NTTBVYRXHLOCIF-KRWDZBQOSA-N -1 3 380.383 2.920 20 30 GFEDHM Cc1c(C(=O)C=Cc2c(Cl)nc(Cl)n2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201298 598640991 /nfs/dbraw/zinc/64/09/91/598640991.db2.gz CBNDYQLWZZFYSO-AATRIKPKSA-N -1 3 392.250 2.859 20 30 GFEDHM Cc1c(C(=O)C=Cc2c(Cl)nc(Cl)n2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201298 598640993 /nfs/dbraw/zinc/64/09/93/598640993.db2.gz CBNDYQLWZZFYSO-AATRIKPKSA-N -1 3 392.250 2.859 20 30 GFEDHM N#CCOc1ccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000737695637 598647353 /nfs/dbraw/zinc/64/73/53/598647353.db2.gz LPXAANQUDRYMSE-UHFFFAOYSA-N -1 3 394.460 2.891 20 30 GFEDHM N#CCOc1ccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000737695637 598647355 /nfs/dbraw/zinc/64/73/55/598647355.db2.gz LPXAANQUDRYMSE-UHFFFAOYSA-N -1 3 394.460 2.891 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735693090 598691458 /nfs/dbraw/zinc/69/14/58/598691458.db2.gz WGFYCRKVZJDLQU-SFHVURJKSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735693090 598691460 /nfs/dbraw/zinc/69/14/60/598691460.db2.gz WGFYCRKVZJDLQU-SFHVURJKSA-N -1 3 376.420 2.724 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000736181801 598691500 /nfs/dbraw/zinc/69/15/00/598691500.db2.gz AUNYHVMXEFLOED-VFNWGFHPSA-N -1 3 390.447 2.665 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000736181801 598691502 /nfs/dbraw/zinc/69/15/02/598691502.db2.gz AUNYHVMXEFLOED-VFNWGFHPSA-N -1 3 390.447 2.665 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000737722940 598756239 /nfs/dbraw/zinc/75/62/39/598756239.db2.gz ZNMWNWBVCUCWNE-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1 ZINC000737722940 598756241 /nfs/dbraw/zinc/75/62/41/598756241.db2.gz ZNMWNWBVCUCWNE-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737705430 598793532 /nfs/dbraw/zinc/79/35/32/598793532.db2.gz OXPQDHPBGAFACV-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737705430 598793533 /nfs/dbraw/zinc/79/35/33/598793533.db2.gz OXPQDHPBGAFACV-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1[N+](=O)[O-] ZINC000737310044 599460680 /nfs/dbraw/zinc/46/06/80/599460680.db2.gz YGLHWZQBFAPWNU-WAYWQWQTSA-N -1 3 375.348 2.627 20 30 GFEDHM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1[N+](=O)[O-] ZINC000737310044 599460682 /nfs/dbraw/zinc/46/06/82/599460682.db2.gz YGLHWZQBFAPWNU-WAYWQWQTSA-N -1 3 375.348 2.627 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820160140 607401447 /nfs/dbraw/zinc/40/14/47/607401447.db2.gz HTBRDNQBGAYZRI-ZDUSSCGKSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820160140 607401448 /nfs/dbraw/zinc/40/14/48/607401448.db2.gz HTBRDNQBGAYZRI-ZDUSSCGKSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820161290 607403186 /nfs/dbraw/zinc/40/31/86/607403186.db2.gz UGUJQEDDQIMMOX-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820161290 607403188 /nfs/dbraw/zinc/40/31/88/607403188.db2.gz UGUJQEDDQIMMOX-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000826253129 607445090 /nfs/dbraw/zinc/44/50/90/607445090.db2.gz GDDWFXRLCARDLF-IBGZPJMESA-N -1 3 388.431 2.759 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000826253129 607445092 /nfs/dbraw/zinc/44/50/92/607445092.db2.gz GDDWFXRLCARDLF-IBGZPJMESA-N -1 3 388.431 2.759 20 30 GFEDHM Cc1ccc(C(=O)NC2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)s1 ZINC000832911759 601312483 /nfs/dbraw/zinc/31/24/83/601312483.db2.gz WHBWHCBRCVMMIV-SFHVURJKSA-N -1 3 383.473 2.948 20 30 GFEDHM CC(C)n1ccnc1CN1CCCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827192868 601314364 /nfs/dbraw/zinc/31/43/64/601314364.db2.gz MWBMYQADSUDOMQ-HXUWFJFHSA-N -1 3 381.480 2.669 20 30 GFEDHM N#CCn1c(=O)c2ccccc2nc1CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833069473 601542004 /nfs/dbraw/zinc/54/20/04/601542004.db2.gz ZXYREKXLLFKYPQ-APWZRJJASA-N -1 3 394.475 2.775 20 30 GFEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000826290072 607535536 /nfs/dbraw/zinc/53/55/36/607535536.db2.gz YULDDUUFQYDLQG-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826290072 607535538 /nfs/dbraw/zinc/53/55/38/607535538.db2.gz YULDDUUFQYDLQG-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000738485758 602680105 /nfs/dbraw/zinc/68/01/05/602680105.db2.gz QMSCLVUBDAJMKF-SJLPKXTDSA-N -1 3 378.517 2.591 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2OC)cc1-c1nnn[n-]1 ZINC000826180359 607645959 /nfs/dbraw/zinc/64/59/59/607645959.db2.gz DMMGENNUMPFESA-XBXARRHUSA-N -1 3 393.403 2.738 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(NC(C)=O)cc2OC)cc1-c1nn[n-]n1 ZINC000826180359 607645960 /nfs/dbraw/zinc/64/59/60/607645960.db2.gz DMMGENNUMPFESA-XBXARRHUSA-N -1 3 393.403 2.738 20 30 GFEDHM C=CCc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc(OC)c1OC ZINC000823937297 607676111 /nfs/dbraw/zinc/67/61/11/607676111.db2.gz QJWDXRMCUTWGRG-UHFFFAOYSA-N -1 3 393.447 2.851 20 30 GFEDHM C=CCc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc(OC)c1OC ZINC000823937297 607676113 /nfs/dbraw/zinc/67/61/13/607676113.db2.gz QJWDXRMCUTWGRG-UHFFFAOYSA-N -1 3 393.447 2.851 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829134978 604222125 /nfs/dbraw/zinc/22/21/25/604222125.db2.gz NLDONTIUMBEUGM-QJPTWQEYSA-N -1 3 393.827 2.741 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000825266252 604243821 /nfs/dbraw/zinc/24/38/21/604243821.db2.gz VATTTZDJIGTXGU-LZWOXQAQSA-N -1 3 393.447 2.592 20 30 GFEDHM C#CCN1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000833364255 605307994 /nfs/dbraw/zinc/30/79/94/605307994.db2.gz IJYGFOPKCWVIPU-INIZCTEOSA-N -1 3 382.382 2.683 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000820549993 606182967 /nfs/dbraw/zinc/18/29/67/606182967.db2.gz ULHCSMGYOVETOP-GDBMZVCRSA-N -1 3 377.404 2.560 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000820549993 606182969 /nfs/dbraw/zinc/18/29/69/606182969.db2.gz ULHCSMGYOVETOP-GDBMZVCRSA-N -1 3 377.404 2.560 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C ZINC000822623478 606208829 /nfs/dbraw/zinc/20/88/29/606208829.db2.gz XVKWHGKVKITWRU-ZZEZOPTASA-N -1 3 395.492 2.729 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C ZINC000822623478 606208831 /nfs/dbraw/zinc/20/88/31/606208831.db2.gz XVKWHGKVKITWRU-ZZEZOPTASA-N -1 3 395.492 2.729 20 30 GFEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822819477 606269749 /nfs/dbraw/zinc/26/97/49/606269749.db2.gz SZBCQMPTROHKEI-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822819477 606269752 /nfs/dbraw/zinc/26/97/52/606269752.db2.gz SZBCQMPTROHKEI-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821693113 606305061 /nfs/dbraw/zinc/30/50/61/606305061.db2.gz SAUGJJFHTQURLO-PLNGDYQASA-N -1 3 386.433 2.858 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821693113 606305063 /nfs/dbraw/zinc/30/50/63/606305063.db2.gz SAUGJJFHTQURLO-PLNGDYQASA-N -1 3 386.433 2.858 20 30 GFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000822842647 606312928 /nfs/dbraw/zinc/31/29/28/606312928.db2.gz RTXUOCSKACAFDO-CYBMUJFWSA-N -1 3 386.437 2.837 20 30 GFEDHM N#Cc1ccsc1N1CC[C@@H](Sc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000822842647 606312929 /nfs/dbraw/zinc/31/29/29/606312929.db2.gz RTXUOCSKACAFDO-CYBMUJFWSA-N -1 3 386.437 2.837 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819709586 606500423 /nfs/dbraw/zinc/50/04/23/606500423.db2.gz KVIDCRMLYZQRHF-UHFFFAOYSA-N -1 3 375.417 2.677 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819709586 606500425 /nfs/dbraw/zinc/50/04/25/606500425.db2.gz KVIDCRMLYZQRHF-UHFFFAOYSA-N -1 3 375.417 2.677 20 30 GFEDHM C#CCOCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819701634 606823486 /nfs/dbraw/zinc/82/34/86/606823486.db2.gz KIWRJVPHEYTBRV-UHFFFAOYSA-N -1 3 378.388 2.774 20 30 GFEDHM C#CCOCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819701634 606823487 /nfs/dbraw/zinc/82/34/87/606823487.db2.gz KIWRJVPHEYTBRV-UHFFFAOYSA-N -1 3 378.388 2.774 20 30 GFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819844937 606834049 /nfs/dbraw/zinc/83/40/49/606834049.db2.gz PBFKHDLNMIIHGN-GFCCVEGCSA-N -1 3 395.398 2.866 20 30 GFEDHM C[C@H](C#N)CNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819844937 606834051 /nfs/dbraw/zinc/83/40/51/606834051.db2.gz PBFKHDLNMIIHGN-GFCCVEGCSA-N -1 3 395.398 2.866 20 30 GFEDHM C(=NNC1CCOCC1)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819718908 606860894 /nfs/dbraw/zinc/86/08/94/606860894.db2.gz UDXPDHJCJUUGFA-UHFFFAOYSA-N -1 3 378.436 2.548 20 30 GFEDHM C(=NNC1CCOCC1)c1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819718908 606860895 /nfs/dbraw/zinc/86/08/95/606860895.db2.gz UDXPDHJCJUUGFA-UHFFFAOYSA-N -1 3 378.436 2.548 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822837851 606945468 /nfs/dbraw/zinc/94/54/68/606945468.db2.gz VNLATZTWQNPVDW-MDZDMXLPSA-N -1 3 375.388 2.764 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822837851 606945469 /nfs/dbraw/zinc/94/54/69/606945469.db2.gz VNLATZTWQNPVDW-MDZDMXLPSA-N -1 3 375.388 2.764 20 30 GFEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nnn[n-]1 ZINC000822014874 607087951 /nfs/dbraw/zinc/08/79/51/607087951.db2.gz APXZVRJOYOPVCW-CYBMUJFWSA-N -1 3 398.515 2.963 20 30 GFEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H](C)CC#N)c1-c1nn[n-]n1 ZINC000822014874 607087952 /nfs/dbraw/zinc/08/79/52/607087952.db2.gz APXZVRJOYOPVCW-CYBMUJFWSA-N -1 3 398.515 2.963 20 30 GFEDHM C[C@@H](C#N)CN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000824034916 607823655 /nfs/dbraw/zinc/82/36/55/607823655.db2.gz QLOMWIWYIIKMQN-ZDUSSCGKSA-N -1 3 392.419 2.803 20 30 GFEDHM C[C@@H](C#N)CN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000824034916 607823656 /nfs/dbraw/zinc/82/36/56/607823656.db2.gz QLOMWIWYIIKMQN-ZDUSSCGKSA-N -1 3 392.419 2.803 20 30 GFEDHM C#CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000799794506 607937959 /nfs/dbraw/zinc/93/79/59/607937959.db2.gz WZJNSYFCFCPQRT-MRXNPFEDSA-N -1 3 387.852 2.563 20 30 GFEDHM C#CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000799794506 607937960 /nfs/dbraw/zinc/93/79/60/607937960.db2.gz WZJNSYFCFCPQRT-MRXNPFEDSA-N -1 3 387.852 2.563 20 30 GFEDHM N#CCOc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000826382162 608024475 /nfs/dbraw/zinc/02/44/75/608024475.db2.gz QXJCNBBHBCCVCU-UHFFFAOYSA-N -1 3 380.433 2.500 20 30 GFEDHM N#CCOc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000826382162 608024476 /nfs/dbraw/zinc/02/44/76/608024476.db2.gz QXJCNBBHBCCVCU-UHFFFAOYSA-N -1 3 380.433 2.500 20 30 GFEDHM CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377261 608025114 /nfs/dbraw/zinc/02/51/14/608025114.db2.gz ZMCVSPNONUMVHE-HNNXBMFYSA-N -1 3 390.447 2.921 20 30 GFEDHM CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377261 608025115 /nfs/dbraw/zinc/02/51/15/608025115.db2.gz ZMCVSPNONUMVHE-HNNXBMFYSA-N -1 3 390.447 2.921 20 30 GFEDHM N#Cc1cccc(OC2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)c1 ZINC000826387102 608393268 /nfs/dbraw/zinc/39/32/68/608393268.db2.gz GMHHGFWUQATUIY-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2F)nnc1-c1cnccn1 ZINC000823936992 608398488 /nfs/dbraw/zinc/39/84/88/608398488.db2.gz CTGFJRQTKLBZNE-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2F)nnc1-c1cnccn1 ZINC000823936992 608398491 /nfs/dbraw/zinc/39/84/91/608398491.db2.gz CTGFJRQTKLBZNE-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM N#Cc1cccc(-c2nnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)c1 ZINC000826386458 608529865 /nfs/dbraw/zinc/52/98/65/608529865.db2.gz GESAVYNREFSHGO-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM N#Cc1cccc(-c2nnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)c1 ZINC000826386458 608529867 /nfs/dbraw/zinc/52/98/67/608529867.db2.gz GESAVYNREFSHGO-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM CCOc1ccc([N+](=O)[O-])cc1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825643604 608536266 /nfs/dbraw/zinc/53/62/66/608536266.db2.gz RNQUCEDEAQIGLQ-UHFFFAOYSA-N -1 3 388.775 2.668 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H]1C ZINC000825499521 608538578 /nfs/dbraw/zinc/53/85/78/608538578.db2.gz NXSBEGWESOXZKJ-SKDRFNHKSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H]1C ZINC000825499521 608538580 /nfs/dbraw/zinc/53/85/80/608538580.db2.gz NXSBEGWESOXZKJ-SKDRFNHKSA-N -1 3 377.836 2.682 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000826350384 608539040 /nfs/dbraw/zinc/53/90/40/608539040.db2.gz TZYWISXINRTUFQ-HNNXBMFYSA-N -1 3 399.842 2.919 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000826350384 608539041 /nfs/dbraw/zinc/53/90/41/608539041.db2.gz TZYWISXINRTUFQ-HNNXBMFYSA-N -1 3 399.842 2.919 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(N2CCCC2=O)cc1 ZINC000823958399 608540058 /nfs/dbraw/zinc/54/00/58/608540058.db2.gz MKPGEGZNMYZDJS-UHFFFAOYSA-N -1 3 396.842 2.878 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N2CCCC2=O)cc1 ZINC000823958399 608540060 /nfs/dbraw/zinc/54/00/60/608540060.db2.gz MKPGEGZNMYZDJS-UHFFFAOYSA-N -1 3 396.842 2.878 20 30 GFEDHM N#C[C@@H]1CSCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826380877 608547955 /nfs/dbraw/zinc/54/79/55/608547955.db2.gz PBGFTYPBVXZQER-OAHLLOKOSA-N -1 3 392.444 2.740 20 30 GFEDHM N#C[C@@H]1CSCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826380877 608547957 /nfs/dbraw/zinc/54/79/57/608547957.db2.gz PBGFTYPBVXZQER-OAHLLOKOSA-N -1 3 392.444 2.740 20 30 GFEDHM CC[C@@H]1CN(Cc2ccc(C#N)o2)[C@@H](CC)CN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000825212941 608856544 /nfs/dbraw/zinc/85/65/44/608856544.db2.gz VADHXQKPTCPUJS-LSDHHAIUSA-N -1 3 395.467 2.799 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826209915 609158828 /nfs/dbraw/zinc/15/88/28/609158828.db2.gz WGKZSYNHDKLGOS-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826209915 609158830 /nfs/dbraw/zinc/15/88/30/609158830.db2.gz WGKZSYNHDKLGOS-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953847 609158875 /nfs/dbraw/zinc/15/88/75/609158875.db2.gz SEXQYUWRDJOKMC-UHFFFAOYSA-N -1 3 398.471 2.782 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953847 609158877 /nfs/dbraw/zinc/15/88/77/609158877.db2.gz SEXQYUWRDJOKMC-UHFFFAOYSA-N -1 3 398.471 2.782 20 30 GFEDHM CCNc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825481030 609179209 /nfs/dbraw/zinc/17/92/09/609179209.db2.gz RUOSPESASXSKKK-UHFFFAOYSA-N -1 3 387.407 2.832 20 30 GFEDHM CCNc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825481030 609179210 /nfs/dbraw/zinc/17/92/10/609179210.db2.gz RUOSPESASXSKKK-UHFFFAOYSA-N -1 3 387.407 2.832 20 30 GFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824385191 609227034 /nfs/dbraw/zinc/22/70/34/609227034.db2.gz NUDTXIJEMJVCKR-SJCJKPOMSA-N -1 3 394.460 2.933 20 30 GFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824385191 609227036 /nfs/dbraw/zinc/22/70/36/609227036.db2.gz NUDTXIJEMJVCKR-SJCJKPOMSA-N -1 3 394.460 2.933 20 30 GFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC ZINC000826190682 609282228 /nfs/dbraw/zinc/28/22/28/609282228.db2.gz JNJHMHLEODPZPN-LBPRGKRZSA-N -1 3 392.419 2.573 20 30 GFEDHM COc1ccc(C[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC ZINC000826190682 609282229 /nfs/dbraw/zinc/28/22/29/609282229.db2.gz JNJHMHLEODPZPN-LBPRGKRZSA-N -1 3 392.419 2.573 20 30 GFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826332759 609309494 /nfs/dbraw/zinc/30/94/94/609309494.db2.gz GWEZAHNNKLQNGJ-MDZDMXLPSA-N -1 3 388.435 2.514 20 30 GFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826332759 609309496 /nfs/dbraw/zinc/30/94/96/609309496.db2.gz GWEZAHNNKLQNGJ-MDZDMXLPSA-N -1 3 388.435 2.514 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000826293407 609417479 /nfs/dbraw/zinc/41/74/79/609417479.db2.gz ONSPJMXIFDNYCL-VIFPVBQESA-N -1 3 382.409 2.786 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000826293407 609417482 /nfs/dbraw/zinc/41/74/82/609417482.db2.gz ONSPJMXIFDNYCL-VIFPVBQESA-N -1 3 382.409 2.786 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824058816 609432567 /nfs/dbraw/zinc/43/25/67/609432567.db2.gz CYISLIYZOBQQIJ-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824058816 609432570 /nfs/dbraw/zinc/43/25/70/609432570.db2.gz CYISLIYZOBQQIJ-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823953810 609468075 /nfs/dbraw/zinc/46/80/75/609468075.db2.gz RBCGPDWPNLUVFE-UHFFFAOYSA-N -1 3 376.739 2.799 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000826258585 609522175 /nfs/dbraw/zinc/52/21/75/609522175.db2.gz OXKJNYMVMADZNS-CQSZACIVSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1 ZINC000826258585 609522176 /nfs/dbraw/zinc/52/21/76/609522176.db2.gz OXKJNYMVMADZNS-CQSZACIVSA-N -1 3 398.430 2.724 20 30 GFEDHM Cc1ccnc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1C#N ZINC000826312727 609585246 /nfs/dbraw/zinc/58/52/46/609585246.db2.gz NANPVVNFYHKXCG-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM Cc1ccnc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1C#N ZINC000826312727 609585247 /nfs/dbraw/zinc/58/52/47/609585247.db2.gz NANPVVNFYHKXCG-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM CC#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000819249060 660251866 /nfs/dbraw/zinc/25/18/66/660251866.db2.gz BNPFPYROERXVMI-UHFFFAOYSA-N -1 3 375.277 2.529 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C#N)c(Cl)cc1Cl ZINC000003482062 654440963 /nfs/dbraw/zinc/44/09/63/654440963.db2.gz XIXSOJSOKPMIKN-VIFPVBQESA-N -1 3 379.265 2.997 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Br)o1 ZINC000041395537 654625786 /nfs/dbraw/zinc/62/57/86/654625786.db2.gz KDMFOTZFPWBKIP-UHFFFAOYSA-N -1 3 392.253 2.810 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCC(F)(F)C2)ccc1F ZINC000837415825 660995009 /nfs/dbraw/zinc/99/50/09/660995009.db2.gz YXYDHGGGFQJWFA-LLVKDONJSA-N -1 3 377.384 2.882 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1sccc1Br ZINC000058766327 654822053 /nfs/dbraw/zinc/82/20/53/654822053.db2.gz BYYFPBWAQSURPC-UHFFFAOYSA-N -1 3 394.294 2.936 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC)nc2)ccc1F ZINC000727094815 655542067 /nfs/dbraw/zinc/54/20/67/655542067.db2.gz ZGLDROVIXOHGCW-UHFFFAOYSA-N -1 3 381.454 2.659 20 30 GFEDHM O=S(=O)(CCCF)[N-]C[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000751294560 655824875 /nfs/dbraw/zinc/82/48/75/655824875.db2.gz YZELJIGULLOISV-NSHDSACASA-N -1 3 397.312 2.734 20 30 GFEDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(C)c1Cl ZINC000788598187 657750231 /nfs/dbraw/zinc/75/02/31/657750231.db2.gz KFSWBISTZCWIPT-UHFFFAOYSA-N -1 3 384.866 2.847 20 30 GFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1COc2cc(Br)c(F)cc21 ZINC000814816754 660096626 /nfs/dbraw/zinc/09/66/26/660096626.db2.gz UYQBCEFQMBYYAZ-UHFFFAOYSA-N -1 3 399.241 2.804 20 30 GFEDHM CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816690497 660165547 /nfs/dbraw/zinc/16/55/47/660165547.db2.gz UCRHMTWHLJSZRY-DZGCQCFKSA-N -1 3 383.286 2.760 20 30 GFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000849459670 661729540 /nfs/dbraw/zinc/72/95/40/661729540.db2.gz XMJDISHCDVFLJR-UHFFFAOYSA-N -1 3 398.706 2.982 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C1CCOCC1 ZINC000851828957 661835986 /nfs/dbraw/zinc/83/59/86/661835986.db2.gz GJMRKYIJQWAHKU-LLVKDONJSA-N -1 3 378.313 2.526 20 30 GFEDHM COCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000870142517 662676007 /nfs/dbraw/zinc/67/60/07/662676007.db2.gz LDNGJAXFFAOTHG-LBPRGKRZSA-N -1 3 381.219 2.797 20 30 GFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC[C@@H]1CC1(Cl)Cl)C(=O)OCC ZINC000882471282 663028438 /nfs/dbraw/zinc/02/84/38/663028438.db2.gz NOWVXUQIDPHUJV-NXEZZACHSA-N -1 3 378.705 2.564 20 30 GFEDHM O=C(c1cc2c(cc1Br)NC(=O)CO2)N([O-])Cc1ccc(F)cc1 ZINC000901372267 663734766 /nfs/dbraw/zinc/73/47/66/663734766.db2.gz BJDQMGNKJAXYBD-UHFFFAOYSA-N -1 3 395.184 2.951 20 30 GFEDHM O=C(CNS(=O)(=O)c1cccs1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380462 663735019 /nfs/dbraw/zinc/73/50/19/663735019.db2.gz WQHZLMUPRMVEQX-UHFFFAOYSA-N -1 3 395.289 2.751 20 30 GFEDHM N#Cc1cnc([N-]C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)s1 ZINC000903941442 663813060 /nfs/dbraw/zinc/81/30/60/663813060.db2.gz ORYQALLODYPEAY-UHFFFAOYSA-N -1 3 383.401 2.729 20 30 GFEDHM C[C@H](Sc1nc(CC(=O)N([O-])Cc2ccccc2Cl)cs1)C(N)=O ZINC000904192903 663827554 /nfs/dbraw/zinc/82/75/54/663827554.db2.gz ZWSIBGLBHZUYKI-VIFPVBQESA-N -1 3 385.898 2.723 20 30 GFEDHM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cc(Br)ccc2[O-])C1=O ZINC000916326977 664457467 /nfs/dbraw/zinc/45/74/67/664457467.db2.gz BSGOQWLJMAODRX-KRWDZBQOSA-N -1 3 388.221 2.956 20 30 GFEDHM CNS(=O)(=O)Cc1ccc(C/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000769726723 677674516 /nfs/dbraw/zinc/67/45/16/677674516.db2.gz AMFZRQOITJAHQF-GRSHGNNSSA-N -1 3 397.294 2.823 20 30 GFEDHM Cc1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc1C#N ZINC000517381788 532414670 /nfs/dbraw/zinc/41/46/70/532414670.db2.gz QESGWVUKMUBPGE-UHFFFAOYSA-N -1 3 385.276 2.959 20 30 GFEDHM CC(C)(C#N)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000029153845 551126125 /nfs/dbraw/zinc/12/61/25/551126125.db2.gz WSBFHQYKAMZTNX-UHFFFAOYSA-N -1 3 377.491 2.856 20 30 GFEDHM C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(=O)N(C)CCC#N ZINC000052432704 551164274 /nfs/dbraw/zinc/16/42/74/551164274.db2.gz URXACHVVLRXGOU-NSHDSACASA-N -1 3 379.873 2.890 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000121791092 551242853 /nfs/dbraw/zinc/24/28/53/551242853.db2.gz ZKDDDHQYZLOBKR-UHFFFAOYSA-N -1 3 384.870 2.503 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCC[C@@H]1O ZINC000124919986 551318927 /nfs/dbraw/zinc/31/89/27/551318927.db2.gz ATDHEQREGVMXHB-LSDHHAIUSA-N -1 3 376.400 2.797 20 30 GFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000125732079 551323766 /nfs/dbraw/zinc/32/37/66/551323766.db2.gz MTYBMQKWDIYLTP-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM N#Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)ccc1OCC(F)(F)F ZINC000150844071 551402537 /nfs/dbraw/zinc/40/25/37/551402537.db2.gz GJZZLBSUXPJYOL-ZDUSSCGKSA-N -1 3 378.372 2.810 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000156336591 551520572 /nfs/dbraw/zinc/52/05/72/551520572.db2.gz VAGLJMBDCSOOPH-UHFFFAOYSA-N -1 3 377.344 2.866 20 30 GFEDHM COc1ccc([C@H](CCO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000158580473 551554038 /nfs/dbraw/zinc/55/40/38/551554038.db2.gz SCWWZWHKQWLHEA-INIZCTEOSA-N -1 3 380.853 2.622 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccccc1 ZINC000180222427 552217792 /nfs/dbraw/zinc/21/77/92/552217792.db2.gz LXXYGRUEYVGTFN-AEFFLSMTSA-N -1 3 375.881 2.935 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCN(CC(F)(F)F)CC1 ZINC000188329762 552442758 /nfs/dbraw/zinc/44/27/58/552442758.db2.gz IFHOPZBPTRYIAF-UHFFFAOYSA-N -1 3 395.834 2.764 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000280497460 563340516 /nfs/dbraw/zinc/34/05/16/563340516.db2.gz BRZDNMPKSQTXLC-XHDPSFHLSA-N -1 3 390.299 2.717 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC(=O)C1CCC(F)(F)CC1 ZINC000425196550 563409979 /nfs/dbraw/zinc/40/99/79/563409979.db2.gz VCFXBNPRURDKAF-UHFFFAOYSA-N -1 3 376.812 2.885 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000329291839 563477470 /nfs/dbraw/zinc/47/74/70/563477470.db2.gz RANTWXNWQFOOMY-ZLKJLUDKSA-N -1 3 385.283 2.557 20 30 GFEDHM O=C(CN1CC(=O)[N-]C1=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000329721997 563486863 /nfs/dbraw/zinc/48/68/63/563486863.db2.gz CFXRREKRTPHHNQ-UHFFFAOYSA-N -1 3 396.241 2.803 20 30 GFEDHM COC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000410325474 563586609 /nfs/dbraw/zinc/58/66/09/563586609.db2.gz JFCBBMXSVNMLLU-NSHDSACASA-N -1 3 390.305 2.823 20 30 GFEDHM COc1cccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)s3)C2)c1 ZINC000435444982 563651984 /nfs/dbraw/zinc/65/19/84/563651984.db2.gz BVUMADQVUWULBS-CYBMUJFWSA-N -1 3 377.491 2.576 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000443089179 563790858 /nfs/dbraw/zinc/79/08/58/563790858.db2.gz CJIRROLXPSFHCS-OAHLLOKOSA-N -1 3 377.897 2.663 20 30 GFEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 ZINC000443224345 563796491 /nfs/dbraw/zinc/79/64/91/563796491.db2.gz IGTAXZMEBYKKSV-UHFFFAOYSA-N -1 3 399.310 2.992 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F)c1 ZINC000443938729 563815517 /nfs/dbraw/zinc/81/55/17/563815517.db2.gz FNFJZEHTQKNHCV-RISCZKNCSA-N -1 3 378.416 2.858 20 30 GFEDHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416412813 563825222 /nfs/dbraw/zinc/82/52/22/563825222.db2.gz DNTORCUFNSMIAB-GFCCVEGCSA-N -1 3 389.315 2.644 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000416460459 563832050 /nfs/dbraw/zinc/83/20/50/563832050.db2.gz WHYMPVCFRAXEGH-CQSZACIVSA-N -1 3 387.299 2.948 20 30 GFEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C#N)CSC ZINC000508075496 564252913 /nfs/dbraw/zinc/25/29/13/564252913.db2.gz ZSBYKYWNFUZLGU-NHYWBVRUSA-N -1 3 392.930 2.677 20 30 GFEDHM C=CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCCC1 ZINC000451950302 564372107 /nfs/dbraw/zinc/37/21/07/564372107.db2.gz GMEZDWXZCDDLLN-UHFFFAOYSA-N -1 3 386.901 2.619 20 30 GFEDHM N#Cc1cccc(CCNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482078350 564533388 /nfs/dbraw/zinc/53/33/88/564533388.db2.gz GLSOAQZUVPCFRA-UHFFFAOYSA-N -1 3 384.237 2.755 20 30 GFEDHM C=C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000572212155 564585476 /nfs/dbraw/zinc/58/54/76/564585476.db2.gz WBWXWMQKWVGYNS-LLVKDONJSA-N -1 3 377.293 2.839 20 30 GFEDHM C=CCSc1ccccc1C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000485495240 564617010 /nfs/dbraw/zinc/61/70/10/564617010.db2.gz BSQQUDWMUYHZTA-UHFFFAOYSA-N -1 3 382.532 2.735 20 30 GFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@](C)(C#N)CSC)c1 ZINC000552040368 564674178 /nfs/dbraw/zinc/67/41/78/564674178.db2.gz SAMIJZPQBJXEOZ-ZDUSSCGKSA-N -1 3 393.328 2.522 20 30 GFEDHM C=CCC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552113020 564678582 /nfs/dbraw/zinc/67/85/82/564678582.db2.gz CQCWAPGUPKDMTM-UHFFFAOYSA-N -1 3 379.309 2.990 20 30 GFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(NS(C)(=O)=O)ccc1Cl ZINC000524852519 564689077 /nfs/dbraw/zinc/68/90/77/564689077.db2.gz CEFROWIUSGQTJA-UHFFFAOYSA-N -1 3 399.881 2.692 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000525212807 564695901 /nfs/dbraw/zinc/69/59/01/564695901.db2.gz AOFUAPXCMAHCKB-UHFFFAOYSA-N -1 3 379.360 2.694 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cc(C(F)(F)F)on1 ZINC000490466096 564773335 /nfs/dbraw/zinc/77/33/35/564773335.db2.gz YLPNTYFWDFYQMN-UHFFFAOYSA-N -1 3 377.319 2.918 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)[C@H]1OCCc2sccc21 ZINC000490548300 564776914 /nfs/dbraw/zinc/77/69/14/564776914.db2.gz MRRWQCQOECJFJQ-APPDUMDISA-N -1 3 380.466 2.881 20 30 GFEDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528545257 564793039 /nfs/dbraw/zinc/79/30/39/564793039.db2.gz DVSKRYMUYPJHGU-OAHLLOKOSA-N -1 3 399.303 2.841 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000528550215 564794001 /nfs/dbraw/zinc/79/40/01/564794001.db2.gz MDCGBGFHZOEBQE-CYBMUJFWSA-N -1 3 398.326 2.616 20 30 GFEDHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000555948456 564809444 /nfs/dbraw/zinc/80/94/44/564809444.db2.gz AVTSEUBVDZQPIF-UHFFFAOYSA-N -1 3 395.278 2.850 20 30 GFEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccc1 ZINC000557812090 564877978 /nfs/dbraw/zinc/87/79/78/564877978.db2.gz ONBIFVZRXNQMOU-HNNXBMFYSA-N -1 3 395.278 2.987 20 30 GFEDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557838046 564880936 /nfs/dbraw/zinc/88/09/36/564880936.db2.gz FMYJWSZSYFQIEE-SNVBAGLBSA-N -1 3 396.266 2.764 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000583244816 564882731 /nfs/dbraw/zinc/88/27/31/564882731.db2.gz WGKSZUGBKDKKIL-XJKSGUPXSA-N -1 3 377.853 2.805 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)c(F)c1 ZINC000531428511 564909490 /nfs/dbraw/zinc/90/94/90/564909490.db2.gz BQRGQHIWJUSFJG-CQSZACIVSA-N -1 3 379.844 2.908 20 30 GFEDHM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)cc2oc1=O ZINC000466962907 564951598 /nfs/dbraw/zinc/95/15/98/564951598.db2.gz AIPNHGYAYXYPPJ-UHFFFAOYSA-N -1 3 377.809 2.940 20 30 GFEDHM N#CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCSCC1 ZINC000533749406 564971769 /nfs/dbraw/zinc/97/17/69/564971769.db2.gz UIOMYLUYEOSTEU-UHFFFAOYSA-N -1 3 392.278 2.810 20 30 GFEDHM COCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000561475210 564996353 /nfs/dbraw/zinc/99/63/53/564996353.db2.gz ZQWXEWKNGXRWPI-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503451727 565020309 /nfs/dbraw/zinc/02/03/09/565020309.db2.gz BZUONUUJALMIGT-ZIAGYGMSSA-N -1 3 383.901 2.573 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c(Cl)c1 ZINC000503476268 565021016 /nfs/dbraw/zinc/02/10/16/565021016.db2.gz HZIOMQVIXAPYCI-UHFFFAOYSA-N -1 3 381.244 2.991 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC000562374489 565026707 /nfs/dbraw/zinc/02/67/07/565026707.db2.gz ACDCCATZIMFXRW-CQSZACIVSA-N -1 3 384.885 2.870 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536744526 565046715 /nfs/dbraw/zinc/04/67/15/565046715.db2.gz FXQVBALHBICHNH-JTQLQIEISA-N -1 3 395.200 2.555 20 30 GFEDHM COc1cc(C[N-]S(=O)(=O)c2sccc2Br)ccc1C#N ZINC000562906303 565047241 /nfs/dbraw/zinc/04/72/41/565047241.db2.gz DIVMPJVGRCOKFU-UHFFFAOYSA-N -1 3 387.280 2.869 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000684915830 565088917 /nfs/dbraw/zinc/08/89/17/565088917.db2.gz IYGXHNZHUMOYLQ-UHFFFAOYSA-N -1 3 388.205 2.949 20 30 GFEDHM CCOC(=O)c1sc([N-]C(=O)c2nn(C)cc2Br)c(C#N)c1C ZINC000590974955 565212265 /nfs/dbraw/zinc/21/22/65/565212265.db2.gz KHZWVRIGPXPQIX-UHFFFAOYSA-N -1 3 397.254 2.853 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000593572819 565343710 /nfs/dbraw/zinc/34/37/10/565343710.db2.gz LYQDNSBUYILESD-JTQLQIEISA-N -1 3 385.873 2.969 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000593620481 565347532 /nfs/dbraw/zinc/34/75/32/565347532.db2.gz QBGNTSSSOOWTCV-UHFFFAOYSA-N -1 3 388.243 2.720 20 30 GFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000619752620 565357442 /nfs/dbraw/zinc/35/74/42/565357442.db2.gz FQZGBDCJYAWUIA-UHFFFAOYSA-N -1 3 381.816 2.788 20 30 GFEDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619752735 565358780 /nfs/dbraw/zinc/35/87/80/565358780.db2.gz QMCJLYUWXQKRRP-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000594801151 565423333 /nfs/dbraw/zinc/42/33/33/565423333.db2.gz KBPQQHPFFFJCGA-GFCCVEGCSA-N -1 3 387.299 2.804 20 30 GFEDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)C1(F)F ZINC000595350357 565467188 /nfs/dbraw/zinc/46/71/88/565467188.db2.gz AXNLGFNQVHQYEH-NSHDSACASA-N -1 3 379.226 2.890 20 30 GFEDHM C=CC(C)(C)CCNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000624468255 565559152 /nfs/dbraw/zinc/55/91/52/565559152.db2.gz DONJZQBCPMRQAY-UHFFFAOYSA-N -1 3 385.555 2.803 20 30 GFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000625326190 565619327 /nfs/dbraw/zinc/61/93/27/565619327.db2.gz PHHUUZOMMPLXNT-UHFFFAOYSA-N -1 3 388.917 2.931 20 30 GFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599384683 565674798 /nfs/dbraw/zinc/67/47/98/565674798.db2.gz BYMRYWWNPMRKOH-TZMCWYRMSA-N -1 3 376.400 2.780 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)nn1 ZINC000632635783 566052531 /nfs/dbraw/zinc/05/25/31/566052531.db2.gz LVZMVOPQKJIGSL-UHFFFAOYSA-N -1 3 392.815 2.588 20 30 GFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1NC(C)=O ZINC000610855910 566103746 /nfs/dbraw/zinc/10/37/46/566103746.db2.gz JHAAHVZOAXRCLT-UHFFFAOYSA-N -1 3 379.825 2.979 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000736309423 598866412 /nfs/dbraw/zinc/86/64/12/598866412.db2.gz NUEJUEKFTXDVEB-MQNTZWLQSA-N -1 3 388.431 2.877 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000736309423 598866413 /nfs/dbraw/zinc/86/64/13/598866413.db2.gz NUEJUEKFTXDVEB-MQNTZWLQSA-N -1 3 388.431 2.877 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736310387 598876940 /nfs/dbraw/zinc/87/69/40/598876940.db2.gz YKWQFCVAPAEZNX-INIZCTEOSA-N -1 3 377.408 2.869 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736310387 598876941 /nfs/dbraw/zinc/87/69/41/598876941.db2.gz YKWQFCVAPAEZNX-INIZCTEOSA-N -1 3 377.408 2.869 20 30 GFEDHM CC(C)(C)n1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C1CC1 ZINC000735665519 598913272 /nfs/dbraw/zinc/91/32/72/598913272.db2.gz YOFCQBFZLWTERT-UHFFFAOYSA-N -1 3 376.424 2.820 20 30 GFEDHM CC(C)(C)n1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C1CC1 ZINC000735665519 598913275 /nfs/dbraw/zinc/91/32/75/598913275.db2.gz YOFCQBFZLWTERT-UHFFFAOYSA-N -1 3 376.424 2.820 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1-c1nnn[n-]1 ZINC000737717066 598914517 /nfs/dbraw/zinc/91/45/17/598914517.db2.gz YIDVYHHSEJCWRO-LBPRGKRZSA-N -1 3 380.795 2.582 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1-c1nn[n-]n1 ZINC000737717066 598914519 /nfs/dbraw/zinc/91/45/19/598914519.db2.gz YIDVYHHSEJCWRO-LBPRGKRZSA-N -1 3 380.795 2.582 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736235051 598920995 /nfs/dbraw/zinc/92/09/95/598920995.db2.gz LRNQLJIHVOKIEL-ZBEGNZNMSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000736235051 598920996 /nfs/dbraw/zinc/92/09/96/598920996.db2.gz LRNQLJIHVOKIEL-ZBEGNZNMSA-N -1 3 387.403 2.585 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)ccc1-c1nnn[n-]1 ZINC000737708766 598926699 /nfs/dbraw/zinc/92/66/99/598926699.db2.gz INTHBRDOKVJUFZ-UHFFFAOYSA-N -1 3 380.318 2.805 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)ccc1-c1nn[n-]n1 ZINC000737708766 598926700 /nfs/dbraw/zinc/92/67/00/598926700.db2.gz INTHBRDOKVJUFZ-UHFFFAOYSA-N -1 3 380.318 2.805 20 30 GFEDHM C=CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1-c1ccncc1 ZINC000735449369 598935355 /nfs/dbraw/zinc/93/53/55/598935355.db2.gz PGGCAPRXLLQQDQ-UHFFFAOYSA-N -1 3 397.855 2.906 20 30 GFEDHM C=CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1-c1ccncc1 ZINC000735449369 598935356 /nfs/dbraw/zinc/93/53/56/598935356.db2.gz PGGCAPRXLLQQDQ-UHFFFAOYSA-N -1 3 397.855 2.906 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nc(C)cc(C)c1C#N ZINC000737033177 598938779 /nfs/dbraw/zinc/93/87/79/598938779.db2.gz TZEOGWSQXQQHPC-UHFFFAOYSA-N -1 3 382.449 2.930 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nc(C)cc(C)c1C#N ZINC000737033177 598938781 /nfs/dbraw/zinc/93/87/81/598938781.db2.gz TZEOGWSQXQQHPC-UHFFFAOYSA-N -1 3 382.449 2.930 20 30 GFEDHM CCN(CCC#N)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736535595 599109182 /nfs/dbraw/zinc/10/91/82/599109182.db2.gz VVKYUZUYVYDQRE-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM CCN(CCC#N)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736535595 599109184 /nfs/dbraw/zinc/10/91/84/599109184.db2.gz VVKYUZUYVYDQRE-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM Cc1noc(C)c1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737536082 599158573 /nfs/dbraw/zinc/15/85/73/599158573.db2.gz DZHMLVIIOFAWDG-HJWRWDBZSA-N -1 3 375.392 2.862 20 30 GFEDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736172605 599190988 /nfs/dbraw/zinc/19/09/88/599190988.db2.gz AXOSTHCPTWWWTC-VIFPVBQESA-N -1 3 386.774 2.937 20 30 GFEDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736172605 599190991 /nfs/dbraw/zinc/19/09/91/599190991.db2.gz AXOSTHCPTWWWTC-VIFPVBQESA-N -1 3 386.774 2.937 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1Cc1ccccc1 ZINC000737214052 599191848 /nfs/dbraw/zinc/19/18/48/599191848.db2.gz CTQVKBLYHUIDQF-UHFFFAOYSA-N -1 3 384.403 2.544 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1Cc1ccccc1 ZINC000737214052 599191850 /nfs/dbraw/zinc/19/18/50/599191850.db2.gz CTQVKBLYHUIDQF-UHFFFAOYSA-N -1 3 384.403 2.544 20 30 GFEDHM N#Cc1cc(NC(=O)COCc2nc3ccccc3s2)ccc1-c1nnn[n-]1 ZINC000737708445 599200328 /nfs/dbraw/zinc/20/03/28/599200328.db2.gz FYYHDRAUSKRUTR-UHFFFAOYSA-N -1 3 391.416 2.503 20 30 GFEDHM N#Cc1cc(NC(=O)COCc2nc3ccccc3s2)ccc1-c1nn[n-]n1 ZINC000737708445 599200330 /nfs/dbraw/zinc/20/03/30/599200330.db2.gz FYYHDRAUSKRUTR-UHFFFAOYSA-N -1 3 391.416 2.503 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1ccc2c(c1)OCO2 ZINC000735419902 599221786 /nfs/dbraw/zinc/22/17/86/599221786.db2.gz JIEXSFXRPWULMP-UHFFFAOYSA-N -1 3 394.460 2.980 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1ccc2c(c1)OCO2 ZINC000735419902 599221788 /nfs/dbraw/zinc/22/17/88/599221788.db2.gz JIEXSFXRPWULMP-UHFFFAOYSA-N -1 3 394.460 2.980 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819702280 599283106 /nfs/dbraw/zinc/28/31/06/599283106.db2.gz WPOJDYDCJDEAPJ-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819702280 599283109 /nfs/dbraw/zinc/28/31/09/599283109.db2.gz WPOJDYDCJDEAPJ-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM Cc1cc2c(c(Br)c1)NC(=O)C2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000737232174 599285941 /nfs/dbraw/zinc/28/59/41/599285941.db2.gz YINHNTPIPBFBHR-UHFFFAOYSA-N -1 3 398.224 2.706 20 30 GFEDHM O=C([O-])C1CCC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000814727094 598095762 /nfs/dbraw/zinc/09/57/62/598095762.db2.gz HWUCDMDQAGWQJH-UHFFFAOYSA-N -1 3 388.537 2.746 20 30 GFEDHM N#Cc1c(F)cccc1N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737706031 598236027 /nfs/dbraw/zinc/23/60/27/598236027.db2.gz UHYRHAWCHKQYAR-UHFFFAOYSA-N -1 3 381.390 2.733 20 30 GFEDHM N#Cc1c(F)cccc1N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737706031 598236029 /nfs/dbraw/zinc/23/60/29/598236029.db2.gz UHYRHAWCHKQYAR-UHFFFAOYSA-N -1 3 381.390 2.733 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000736635800 598323758 /nfs/dbraw/zinc/32/37/58/598323758.db2.gz ZMJIXEAZWISLSD-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(C#N)cc1F ZINC000736635800 598323760 /nfs/dbraw/zinc/32/37/60/598323760.db2.gz ZMJIXEAZWISLSD-UHFFFAOYSA-N -1 3 381.371 2.598 20 30 GFEDHM N#Cc1ccc(CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000737710828 598327055 /nfs/dbraw/zinc/32/70/55/598327055.db2.gz CFOJSYZDZDLCNB-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM N#Cc1ccc(CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000737710828 598327057 /nfs/dbraw/zinc/32/70/57/598327057.db2.gz CFOJSYZDZDLCNB-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc(OC)c1O ZINC000737041250 598378532 /nfs/dbraw/zinc/37/85/32/598378532.db2.gz ISDJPMAJQYZNQG-VOTSOKGWSA-N -1 3 395.419 2.542 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc(OC)c1O ZINC000737041250 598378533 /nfs/dbraw/zinc/37/85/33/598378533.db2.gz ISDJPMAJQYZNQG-VOTSOKGWSA-N -1 3 395.419 2.542 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735873161 598427404 /nfs/dbraw/zinc/42/74/04/598427404.db2.gz AHSGYRKJGSBNHJ-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735873161 598427405 /nfs/dbraw/zinc/42/74/05/598427405.db2.gz AHSGYRKJGSBNHJ-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cn2)cc1 ZINC000737721609 598444613 /nfs/dbraw/zinc/44/46/13/598444613.db2.gz MWAMRQZRCSPEBY-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cn2)cc1 ZINC000737721609 598444616 /nfs/dbraw/zinc/44/46/16/598444616.db2.gz MWAMRQZRCSPEBY-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735648968 598535725 /nfs/dbraw/zinc/53/57/25/598535725.db2.gz XACPAHLBRXRKTM-GOSISDBHSA-N -1 3 390.447 2.924 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735648968 598535727 /nfs/dbraw/zinc/53/57/27/598535727.db2.gz XACPAHLBRXRKTM-GOSISDBHSA-N -1 3 390.447 2.924 20 30 GFEDHM COc1cc(C#N)ccc1OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737035888 598646913 /nfs/dbraw/zinc/64/69/13/598646913.db2.gz XSEGMARYSBHBEE-UHFFFAOYSA-N -1 3 393.403 2.902 20 30 GFEDHM COc1cc(C#N)ccc1OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737035888 598646916 /nfs/dbraw/zinc/64/69/16/598646916.db2.gz XSEGMARYSBHBEE-UHFFFAOYSA-N -1 3 393.403 2.902 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735755547 598685819 /nfs/dbraw/zinc/68/58/19/598685819.db2.gz GROBBXXRKOLDGM-HNNXBMFYSA-N -1 3 377.408 2.722 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735755547 598685821 /nfs/dbraw/zinc/68/58/21/598685821.db2.gz GROBBXXRKOLDGM-HNNXBMFYSA-N -1 3 377.408 2.722 20 30 GFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735503848 598691166 /nfs/dbraw/zinc/69/11/66/598691166.db2.gz KLVDESIIDVRJLB-HXUWFJFHSA-N -1 3 392.488 2.990 20 30 GFEDHM C[C@](C#N)(CCc1ccccc1)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735503848 598691168 /nfs/dbraw/zinc/69/11/68/598691168.db2.gz KLVDESIIDVRJLB-HXUWFJFHSA-N -1 3 392.488 2.990 20 30 GFEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735429571 598712103 /nfs/dbraw/zinc/71/21/03/598712103.db2.gz VIILLTOJGYMNDJ-CYBMUJFWSA-N -1 3 393.403 2.507 20 30 GFEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735429571 598712105 /nfs/dbraw/zinc/71/21/05/598712105.db2.gz VIILLTOJGYMNDJ-CYBMUJFWSA-N -1 3 393.403 2.507 20 30 GFEDHM CSc1ccc(OCCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000821983697 599381953 /nfs/dbraw/zinc/38/19/53/599381953.db2.gz ISECFECYDZBNGA-UHFFFAOYSA-N -1 3 385.478 2.609 20 30 GFEDHM CSc1ccc(OCCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000821983697 599381956 /nfs/dbraw/zinc/38/19/56/599381956.db2.gz ISECFECYDZBNGA-UHFFFAOYSA-N -1 3 385.478 2.609 20 30 GFEDHM C=C(Cl)CNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735402353 599453040 /nfs/dbraw/zinc/45/30/40/599453040.db2.gz RXNAJACDDBONRK-UHFFFAOYSA-N -1 3 375.845 2.788 20 30 GFEDHM C=C(Cl)CNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735402353 599453042 /nfs/dbraw/zinc/45/30/42/599453042.db2.gz RXNAJACDDBONRK-UHFFFAOYSA-N -1 3 375.845 2.788 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000821104408 599463471 /nfs/dbraw/zinc/46/34/71/599463471.db2.gz BWQYVFSVBGIOLQ-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc(C#N)ccc1F ZINC000821104408 599463472 /nfs/dbraw/zinc/46/34/72/599463472.db2.gz BWQYVFSVBGIOLQ-UHFFFAOYSA-N -1 3 393.426 2.999 20 30 GFEDHM CCCCCCCCCN(C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821055421 599490137 /nfs/dbraw/zinc/49/01/37/599490137.db2.gz AFYVJBYIFKFHAB-UHFFFAOYSA-N -1 3 380.518 2.701 20 30 GFEDHM CCCCCCCCCN(C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821055421 599490140 /nfs/dbraw/zinc/49/01/40/599490140.db2.gz AFYVJBYIFKFHAB-UHFFFAOYSA-N -1 3 380.518 2.701 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735410006 599508400 /nfs/dbraw/zinc/50/84/00/599508400.db2.gz RENLFUOZJGMRKZ-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735410006 599508402 /nfs/dbraw/zinc/50/84/02/599508402.db2.gz RENLFUOZJGMRKZ-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1-c1nnn[n-]1 ZINC000822830099 599631412 /nfs/dbraw/zinc/63/14/12/599631412.db2.gz UUHNLAGWIYCSND-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1-c1nn[n-]n1 ZINC000822830099 599631413 /nfs/dbraw/zinc/63/14/13/599631413.db2.gz UUHNLAGWIYCSND-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1nc(C(=O)OCC)cs1 ZINC000823903564 607429511 /nfs/dbraw/zinc/42/95/11/607429511.db2.gz CYINYNVQQAUVNW-UHFFFAOYSA-N -1 3 398.448 2.641 20 30 GFEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1nc(C(=O)OCC)cs1 ZINC000823903564 607429512 /nfs/dbraw/zinc/42/95/12/607429512.db2.gz CYINYNVQQAUVNW-UHFFFAOYSA-N -1 3 398.448 2.641 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000821703088 607455751 /nfs/dbraw/zinc/45/57/51/607455751.db2.gz NXFHPYUZMXOBIH-VOTSOKGWSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000821703088 607455753 /nfs/dbraw/zinc/45/57/53/607455753.db2.gz NXFHPYUZMXOBIH-VOTSOKGWSA-N -1 3 384.367 2.928 20 30 GFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000736663541 600594049 /nfs/dbraw/zinc/59/40/49/600594049.db2.gz ZUAYRFNYQBVNGL-QKKBWIMNSA-N -1 3 393.443 2.692 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)[C@H](C)C2)cc1 ZINC000831389328 601314060 /nfs/dbraw/zinc/31/40/60/601314060.db2.gz GKDNYZAFMIONFR-FOIQADDNSA-N -1 3 393.443 2.681 20 30 GFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000833074145 601314415 /nfs/dbraw/zinc/31/44/15/601314415.db2.gz PYWYLWZLXJZYDA-MSOLQXFVSA-N -1 3 382.395 2.719 20 30 GFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000831064171 604223083 /nfs/dbraw/zinc/22/30/83/604223083.db2.gz CQCARIHQLUZAGH-SCVCMEIPSA-N -1 3 381.791 2.953 20 30 GFEDHM N#Cc1ccsc1NC(=O)CCN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000831156659 604228940 /nfs/dbraw/zinc/22/89/40/604228940.db2.gz GGLTXJKADDUJAP-UHFFFAOYSA-N -1 3 376.482 2.803 20 30 GFEDHM C[C@@H](Oc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1)C(=O)[O-] ZINC000833542122 605731128 /nfs/dbraw/zinc/73/11/28/605731128.db2.gz TXMHSYKTMJWTER-QRWLVFNGSA-N -1 3 393.443 2.695 20 30 GFEDHM N#C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801359 606206292 /nfs/dbraw/zinc/20/62/92/606206292.db2.gz HMICQGLLHGMTAH-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000822801359 606206294 /nfs/dbraw/zinc/20/62/94/606206294.db2.gz HMICQGLLHGMTAH-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM N#Cc1cc(N[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)ccc1Cl ZINC000822823145 606243930 /nfs/dbraw/zinc/24/39/30/606243930.db2.gz LTVYMZFRYWYVSC-CYBMUJFWSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1cc(N[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)ccc1Cl ZINC000822823145 606243931 /nfs/dbraw/zinc/24/39/31/606243931.db2.gz LTVYMZFRYWYVSC-CYBMUJFWSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(F)c1 ZINC000822833203 606312864 /nfs/dbraw/zinc/31/28/64/606312864.db2.gz MITXYXYGBDGVHS-CYBMUJFWSA-N -1 3 386.437 2.837 20 30 GFEDHM N#Cc1ccc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(F)c1 ZINC000822833203 606312865 /nfs/dbraw/zinc/31/28/65/606312865.db2.gz MITXYXYGBDGVHS-CYBMUJFWSA-N -1 3 386.437 2.837 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821693061 606390208 /nfs/dbraw/zinc/39/02/08/606390208.db2.gz PLNIUJFTVKKMJN-XQRVVYSFSA-N -1 3 386.433 2.858 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC000822801154 606553952 /nfs/dbraw/zinc/55/39/52/606553952.db2.gz FGAOYCIPGXSMIQ-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC000822801154 606553953 /nfs/dbraw/zinc/55/39/53/606553953.db2.gz FGAOYCIPGXSMIQ-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM C=C(C)COCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819723129 606813640 /nfs/dbraw/zinc/81/36/40/606813640.db2.gz ZWYZKNDSSRPCAI-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819723129 606813642 /nfs/dbraw/zinc/81/36/42/606813642.db2.gz ZWYZKNDSSRPCAI-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819722935 606817778 /nfs/dbraw/zinc/81/77/78/606817778.db2.gz RKYBOAKYHWMLLW-UHFFFAOYSA-N -1 3 378.436 2.933 20 30 GFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821608484 606992357 /nfs/dbraw/zinc/99/23/57/606992357.db2.gz JGXCGASWESLABY-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821608484 606992358 /nfs/dbraw/zinc/99/23/58/606992358.db2.gz JGXCGASWESLABY-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)cc21 ZINC000820577855 607022807 /nfs/dbraw/zinc/02/28/07/607022807.db2.gz WKFOCJUSLFDTAX-FNORWQNLSA-N -1 3 399.414 2.640 20 30 GFEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)cc21 ZINC000820577855 607022808 /nfs/dbraw/zinc/02/28/08/607022808.db2.gz WKFOCJUSLFDTAX-FNORWQNLSA-N -1 3 399.414 2.640 20 30 GFEDHM N#Cc1ccc(F)cc1COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000822829615 607082650 /nfs/dbraw/zinc/08/26/50/607082650.db2.gz AHRBFJWWPOCBHL-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(Cl)c1 ZINC000822833352 607122869 /nfs/dbraw/zinc/12/28/69/607122869.db2.gz OJDXWMTYBHKEOG-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(Cl)c1 ZINC000822833352 607122871 /nfs/dbraw/zinc/12/28/71/607122871.db2.gz OJDXWMTYBHKEOG-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)nn(CCC)c1C ZINC000819745640 607143823 /nfs/dbraw/zinc/14/38/23/607143823.db2.gz NIIPOEPALCMOKJ-UHFFFAOYSA-N -1 3 379.468 2.918 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(C)nn(CCC)c1C ZINC000819745640 607143826 /nfs/dbraw/zinc/14/38/26/607143826.db2.gz NIIPOEPALCMOKJ-UHFFFAOYSA-N -1 3 379.468 2.918 20 30 GFEDHM CC(C)(C#N)c1ccccc1COC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000819891854 607154744 /nfs/dbraw/zinc/15/47/44/607154744.db2.gz IQMBZJMJCHZFEM-UHFFFAOYSA-N -1 3 376.420 2.823 20 30 GFEDHM N#Cc1ccc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826386047 607845893 /nfs/dbraw/zinc/84/58/93/607845893.db2.gz MQQRDZBBXJWZJM-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM N#Cc1ccc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826386047 607845894 /nfs/dbraw/zinc/84/58/94/607845894.db2.gz MQQRDZBBXJWZJM-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1CN(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826335208 607848398 /nfs/dbraw/zinc/84/83/98/607848398.db2.gz CWMQSLOPILBITB-UHFFFAOYSA-N -1 3 389.398 2.538 20 30 GFEDHM C=CCc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000823937198 607876281 /nfs/dbraw/zinc/87/62/81/607876281.db2.gz METYBCCIWQNCKA-KRWDZBQOSA-N -1 3 396.447 2.731 20 30 GFEDHM COc1ccc(C=CC(=O)c2ncc(Br)s2)cc1-c1nnn[n-]1 ZINC000826190412 607930162 /nfs/dbraw/zinc/93/01/62/607930162.db2.gz AAWPVWGUQMPJAD-DUXPYHPUSA-N -1 3 392.238 2.990 20 30 GFEDHM COc1ccc(C=CC(=O)c2ncc(Br)s2)cc1-c1nn[n-]n1 ZINC000826190412 607930163 /nfs/dbraw/zinc/93/01/63/607930163.db2.gz AAWPVWGUQMPJAD-DUXPYHPUSA-N -1 3 392.238 2.990 20 30 GFEDHM CCOc1ccc(C=NOCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000825637907 607971759 /nfs/dbraw/zinc/97/17/59/607971759.db2.gz BBILKSUMFZQVKX-UHFFFAOYSA-N -1 3 383.408 2.833 20 30 GFEDHM CCOc1ccc(C=NOCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000825637907 607971760 /nfs/dbraw/zinc/97/17/60/607971760.db2.gz BBILKSUMFZQVKX-UHFFFAOYSA-N -1 3 383.408 2.833 20 30 GFEDHM C=CCCC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823888455 608057104 /nfs/dbraw/zinc/05/71/04/608057104.db2.gz MVAISYAHQPEIJW-UHFFFAOYSA-N -1 3 379.420 2.966 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccccc2Br)cc1-c1nnn[n-]1 ZINC000826385179 608158562 /nfs/dbraw/zinc/15/85/62/608158562.db2.gz AJVWGQMQIHLAAO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccccc2Br)cc1-c1nn[n-]n1 ZINC000826385179 608158563 /nfs/dbraw/zinc/15/85/63/608158563.db2.gz AJVWGQMQIHLAAO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(C#N)cc2OC)n1 ZINC000825560035 608261853 /nfs/dbraw/zinc/26/18/53/608261853.db2.gz MZTCRIYWCBZTES-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(C#N)cc2OC)n1 ZINC000825560035 608261855 /nfs/dbraw/zinc/26/18/55/608261855.db2.gz MZTCRIYWCBZTES-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM N#Cc1cccc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386528 608446914 /nfs/dbraw/zinc/44/69/14/608446914.db2.gz ISIMREDKULFORS-QGZVFWFLSA-N -1 3 392.394 2.590 20 30 GFEDHM O=[N+]([O-])c1ccc2[nH]cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c2c1 ZINC000826499422 608539720 /nfs/dbraw/zinc/53/97/20/608539720.db2.gz ICHBXDMCQVXHTP-UHFFFAOYSA-N -1 3 383.759 2.751 20 30 GFEDHM O=[N+]([O-])c1ccc2[nH]cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c2c1 ZINC000826499422 608539721 /nfs/dbraw/zinc/53/97/21/608539721.db2.gz ICHBXDMCQVXHTP-UHFFFAOYSA-N -1 3 383.759 2.751 20 30 GFEDHM Cn1c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)nc2ccc(Cl)cc21 ZINC000826355379 608540780 /nfs/dbraw/zinc/54/07/80/608540780.db2.gz XAKBUSGGYHUBFB-UHFFFAOYSA-N -1 3 388.222 2.901 20 30 GFEDHM Cn1c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)nc2ccc(Cl)cc21 ZINC000826355379 608540781 /nfs/dbraw/zinc/54/07/81/608540781.db2.gz XAKBUSGGYHUBFB-UHFFFAOYSA-N -1 3 388.222 2.901 20 30 GFEDHM CC1(C#N)CCN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000824776559 609142562 /nfs/dbraw/zinc/14/25/62/609142562.db2.gz CMSYDLGAVCUWAH-UHFFFAOYSA-N -1 3 399.524 2.761 20 30 GFEDHM CC1(C#N)CCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000824776559 609142563 /nfs/dbraw/zinc/14/25/63/609142563.db2.gz CMSYDLGAVCUWAH-UHFFFAOYSA-N -1 3 399.524 2.761 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000823909771 609272516 /nfs/dbraw/zinc/27/25/16/609272516.db2.gz QHQRYQUGHOXZPV-UHFFFAOYSA-N -1 3 391.439 2.505 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000823909771 609272518 /nfs/dbraw/zinc/27/25/18/609272518.db2.gz QHQRYQUGHOXZPV-UHFFFAOYSA-N -1 3 391.439 2.505 20 30 GFEDHM C[C@H](C#N)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000824033768 609410867 /nfs/dbraw/zinc/41/08/67/609410867.db2.gz ANGNXMHXRLISKK-CQSZACIVSA-N -1 3 393.426 2.877 20 30 GFEDHM C[C@H](C#N)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000824033768 609410868 /nfs/dbraw/zinc/41/08/68/609410868.db2.gz ANGNXMHXRLISKK-CQSZACIVSA-N -1 3 393.426 2.877 20 30 GFEDHM C=CCc1cc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc(OC)c1OC ZINC000823937007 609465951 /nfs/dbraw/zinc/46/59/51/609465951.db2.gz DPKVKGQTTWZJHU-UHFFFAOYSA-N -1 3 391.435 2.872 20 30 GFEDHM C=CCc1cc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc(OC)c1OC ZINC000823937007 609465952 /nfs/dbraw/zinc/46/59/52/609465952.db2.gz DPKVKGQTTWZJHU-UHFFFAOYSA-N -1 3 391.435 2.872 20 30 GFEDHM Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2)cn1 ZINC000826356171 609467468 /nfs/dbraw/zinc/46/74/68/609467468.db2.gz DZVJPWZJMRVBKT-UHFFFAOYSA-N -1 3 388.366 2.530 20 30 GFEDHM Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)cn1 ZINC000826356171 609467469 /nfs/dbraw/zinc/46/74/69/609467469.db2.gz DZVJPWZJMRVBKT-UHFFFAOYSA-N -1 3 388.366 2.530 20 30 GFEDHM CC(CS(=O)(=O)c1ccccc1)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824449542 609473554 /nfs/dbraw/zinc/47/35/54/609473554.db2.gz NYEKNGQVQXNVTA-UHFFFAOYSA-N -1 3 390.856 2.782 20 30 GFEDHM CC(CS(=O)(=O)c1ccccc1)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824449542 609473556 /nfs/dbraw/zinc/47/35/56/609473556.db2.gz NYEKNGQVQXNVTA-UHFFFAOYSA-N -1 3 390.856 2.782 20 30 GFEDHM Fc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1-n1cncn1 ZINC000826372115 609474917 /nfs/dbraw/zinc/47/49/17/609474917.db2.gz IMEVCTOBEIBNED-UHFFFAOYSA-N -1 3 383.778 2.686 20 30 GFEDHM Fc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1-n1cncn1 ZINC000826372115 609474918 /nfs/dbraw/zinc/47/49/18/609474918.db2.gz IMEVCTOBEIBNED-UHFFFAOYSA-N -1 3 383.778 2.686 20 30 GFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824100256 609595108 /nfs/dbraw/zinc/59/51/08/609595108.db2.gz OUIVVFUFUNTQIX-KRWDZBQOSA-N -1 3 390.831 2.720 20 30 GFEDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824100256 609595109 /nfs/dbraw/zinc/59/51/09/609595109.db2.gz OUIVVFUFUNTQIX-KRWDZBQOSA-N -1 3 390.831 2.720 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000824035543 609624971 /nfs/dbraw/zinc/62/49/71/609624971.db2.gz ZLTSLVMUTIDUCV-QWHCGFSZSA-N -1 3 378.392 2.564 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1Cl ZINC000822819734 660355129 /nfs/dbraw/zinc/35/51/29/660355129.db2.gz ZWVIFHGNJSJZOF-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#CC1([N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000123185297 654752758 /nfs/dbraw/zinc/75/27/58/654752758.db2.gz WAMPLQODDVFVND-UHFFFAOYSA-N -1 3 384.280 2.907 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccsc3C2)ccc1F ZINC000123462685 654756699 /nfs/dbraw/zinc/75/66/99/654756699.db2.gz UJVLRZSWHWNREG-UHFFFAOYSA-N -1 3 380.466 2.550 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC#N)c(Cl)cc1Cl ZINC000101515759 655041916 /nfs/dbraw/zinc/04/19/16/655041916.db2.gz UAPPBVIEHOUQRD-UHFFFAOYSA-N -1 3 378.281 2.523 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(F)(F)F)C(C)C)ccc1F ZINC000120092940 655327405 /nfs/dbraw/zinc/32/74/05/655327405.db2.gz HYDHLOXHJDIZDY-UHFFFAOYSA-N -1 3 382.379 2.703 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(Br)c1 ZINC000436548143 655409074 /nfs/dbraw/zinc/40/90/74/655409074.db2.gz ZIKQTHXBAITLHY-GFCCVEGCSA-N -1 3 375.178 2.878 20 30 GFEDHM Cc1ncc(CO)c(/C=N/CCCS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000840707450 661177652 /nfs/dbraw/zinc/17/76/52/661177652.db2.gz VDHWTXYRSOIZJJ-VXLYETTFSA-N -1 3 382.869 2.524 20 30 GFEDHM CCOc1cc(C=NN=c2cc[nH]c(N(C)C)n2)cc(Br)c1[O-] ZINC000739422665 655693425 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COc1c(Br)cccc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000774375287 656523671 /nfs/dbraw/zinc/52/36/71/656523671.db2.gz QCSQDWBBXSBNFQ-UHFFFAOYSA-N -1 3 383.267 2.911 20 30 GFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ccc(Br)cn1 ZINC000774384954 656524352 /nfs/dbraw/zinc/52/43/52/656524352.db2.gz ILBQGJHRXUMVIX-UHFFFAOYSA-N -1 3 380.133 2.660 20 30 GFEDHM Cc1nc(C)c(CC(=O)OCc2ccc(C#N)cc2Br)c(=O)[n-]1 ZINC000778102539 656863657 /nfs/dbraw/zinc/86/36/57/656863657.db2.gz FZBZLKDWPSCTRH-UHFFFAOYSA-N -1 3 376.210 2.719 20 30 GFEDHM Cc1c(Br)c(C)n([N-]C(=O)c2ccc(Cl)nc2)c(=O)c1C#N ZINC000791173674 658065939 /nfs/dbraw/zinc/06/59/39/658065939.db2.gz UMDKIQAPRIUAHB-UHFFFAOYSA-N -1 3 381.617 2.532 20 30 GFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(Br)cn1 ZINC000794516672 658554483 /nfs/dbraw/zinc/55/44/83/658554483.db2.gz VDWWSAUGBAFBKP-UHFFFAOYSA-N -1 3 382.283 2.730 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)c1ccc(Cl)cc1F ZINC000796085796 658887962 /nfs/dbraw/zinc/88/79/62/658887962.db2.gz 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ZINC000619548313 565347992 /nfs/dbraw/zinc/34/79/92/565347992.db2.gz URAOSUHOWDNPCN-UHFFFAOYSA-N -1 3 384.429 2.882 20 30 GFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000620317283 565379086 /nfs/dbraw/zinc/37/90/86/565379086.db2.gz KLENWWUUVWIAOZ-TXEJJXNPSA-N -1 3 389.304 2.981 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)CO[C@H]1CCOC1 ZINC000594763747 565416216 /nfs/dbraw/zinc/41/62/16/565416216.db2.gz ZXNTUZVFSMBTQR-RISCZKNCSA-N -1 3 380.491 2.554 20 30 GFEDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000594849266 565429153 /nfs/dbraw/zinc/42/91/53/565429153.db2.gz MTHIGDJHYCPVEU-UHFFFAOYSA-N -1 3 375.288 2.804 20 30 GFEDHM C=CCn1cc(C[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)nn1 ZINC000644865163 565499493 /nfs/dbraw/zinc/49/94/93/565499493.db2.gz BNBWHEORBWGHGM-UHFFFAOYSA-N -1 3 375.281 2.866 20 30 GFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000600667083 565742907 /nfs/dbraw/zinc/74/29/07/565742907.db2.gz SFLVKQOYFNYVMM-GFCCVEGCSA-N -1 3 384.401 2.517 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000611026342 566112089 /nfs/dbraw/zinc/11/20/89/566112089.db2.gz ZZGMLURRVCNPAH-GFCCVEGCSA-N -1 3 379.781 2.532 20 30 GFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000611028984 566112805 /nfs/dbraw/zinc/11/28/05/566112805.db2.gz QRMHGEKONLBEJL-LLVKDONJSA-N -1 3 389.271 2.596 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(Br)cc2C#N)s1 ZINC000611921151 566144254 /nfs/dbraw/zinc/14/42/54/566144254.db2.gz ZIFZJCUXSQABBU-UHFFFAOYSA-N -1 3 386.296 2.902 20 30 GFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000736039099 598884306 /nfs/dbraw/zinc/88/43/06/598884306.db2.gz ZODWTIGRMCEWHY-KGLIPLIRSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000736039099 598884307 /nfs/dbraw/zinc/88/43/07/598884307.db2.gz ZODWTIGRMCEWHY-KGLIPLIRSA-N -1 3 393.403 2.516 20 30 GFEDHM N#Cc1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)ccc1-c1nnn[n-]1 ZINC000737704415 598913766 /nfs/dbraw/zinc/91/37/66/598913766.db2.gz IAFUTRPOBOLOKW-GFCCVEGCSA-N -1 3 380.795 2.582 20 30 GFEDHM N#Cc1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)ccc1-c1nn[n-]n1 ZINC000737704415 598913768 /nfs/dbraw/zinc/91/37/68/598913768.db2.gz IAFUTRPOBOLOKW-GFCCVEGCSA-N -1 3 380.795 2.582 20 30 GFEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Br)o2)ccc1-c1nnn[n-]1 ZINC000737703746 598915862 /nfs/dbraw/zinc/91/58/62/598915862.db2.gz FKWYTGWEKHSUHQ-UTCJRWHESA-N -1 3 385.181 2.746 20 30 GFEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Br)o2)ccc1-c1nn[n-]n1 ZINC000737703746 598915863 /nfs/dbraw/zinc/91/58/63/598915863.db2.gz FKWYTGWEKHSUHQ-UTCJRWHESA-N -1 3 385.181 2.746 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1F ZINC000737214590 598916820 /nfs/dbraw/zinc/91/68/20/598916820.db2.gz NQKZUHDBWHGPAS-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccccc1F ZINC000737214590 598916822 /nfs/dbraw/zinc/91/68/22/598916822.db2.gz NQKZUHDBWHGPAS-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OCCCC#N ZINC000821787640 607252877 /nfs/dbraw/zinc/25/28/77/607252877.db2.gz WXXTZEWCGYZEQT-UHFFFAOYSA-N -1 3 391.435 2.682 20 30 GFEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OCCCC#N ZINC000821787640 607252878 /nfs/dbraw/zinc/25/28/78/607252878.db2.gz WXXTZEWCGYZEQT-UHFFFAOYSA-N -1 3 391.435 2.682 20 30 GFEDHM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)[nH]c(C)c1C(C)=O ZINC000736497741 598924951 /nfs/dbraw/zinc/92/49/51/598924951.db2.gz LXHYHPVJUFHYQF-UHFFFAOYSA-N -1 3 377.408 2.782 20 30 GFEDHM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)[nH]c(C)c1C(C)=O ZINC000736497741 598924953 /nfs/dbraw/zinc/92/49/53/598924953.db2.gz LXHYHPVJUFHYQF-UHFFFAOYSA-N -1 3 377.408 2.782 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Br ZINC000737070818 598926104 /nfs/dbraw/zinc/92/61/04/598926104.db2.gz DPNOYEBTWDCBCP-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Br ZINC000737070818 598926105 /nfs/dbraw/zinc/92/61/05/598926105.db2.gz DPNOYEBTWDCBCP-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM N#Cc1cc(NC(=O)CCCOc2ccc(F)cc2F)ccc1-c1nnn[n-]1 ZINC000737703674 598927017 /nfs/dbraw/zinc/92/70/17/598927017.db2.gz DKTURABMYQBLPW-UHFFFAOYSA-N -1 3 384.346 2.814 20 30 GFEDHM N#Cc1cc(NC(=O)CCCOc2ccc(F)cc2F)ccc1-c1nn[n-]n1 ZINC000737703674 598927020 /nfs/dbraw/zinc/92/70/20/598927020.db2.gz DKTURABMYQBLPW-UHFFFAOYSA-N -1 3 384.346 2.814 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000736507543 598998779 /nfs/dbraw/zinc/99/87/79/598998779.db2.gz FFALDAUXIRYCLO-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000736507543 598998780 /nfs/dbraw/zinc/99/87/80/598998780.db2.gz FFALDAUXIRYCLO-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM N#CC1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000737677170 599027033 /nfs/dbraw/zinc/02/70/33/599027033.db2.gz AEEZBYSVQBWCCN-UHFFFAOYSA-N -1 3 388.431 2.821 20 30 GFEDHM C=CCOCCCC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819759300 599141089 /nfs/dbraw/zinc/14/10/89/599141089.db2.gz SPMNSZVJJRJJDA-UHFFFAOYSA-N -1 3 384.465 2.835 20 30 GFEDHM C=CCOCCCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819759300 599141091 /nfs/dbraw/zinc/14/10/91/599141091.db2.gz SPMNSZVJJRJJDA-UHFFFAOYSA-N -1 3 384.465 2.835 20 30 GFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736598386 599154309 /nfs/dbraw/zinc/15/43/09/599154309.db2.gz DCKNHGZGXDHHBW-POHAHGRESA-N -1 3 392.415 2.877 20 30 GFEDHM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736598386 599154311 /nfs/dbraw/zinc/15/43/11/599154311.db2.gz DCKNHGZGXDHHBW-POHAHGRESA-N -1 3 392.415 2.877 20 30 GFEDHM C=CCNc1ncc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819751149 607263347 /nfs/dbraw/zinc/26/33/47/607263347.db2.gz SBJJDFXWPSGVHN-UHFFFAOYSA-N -1 3 386.437 2.547 20 30 GFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736820555 598277930 /nfs/dbraw/zinc/27/79/30/598277930.db2.gz PEAZKZHYOASTJH-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736820555 598277931 /nfs/dbraw/zinc/27/79/31/598277931.db2.gz PEAZKZHYOASTJH-UHFFFAOYSA-N -1 3 378.440 2.959 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000735426201 598311623 /nfs/dbraw/zinc/31/16/23/598311623.db2.gz LSXBFFFGEVLOEK-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000735426201 598311625 /nfs/dbraw/zinc/31/16/25/598311625.db2.gz LSXBFFFGEVLOEK-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM Cc1ccc2c(c1)C(=NNc1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)C(=O)N2 ZINC000737371364 598314098 /nfs/dbraw/zinc/31/40/98/598314098.db2.gz CVRDYJMAIQSQQQ-UHFFFAOYSA-N -1 3 387.325 2.962 20 30 GFEDHM Cc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)c(C(F)(F)F)c1)C(=O)N2 ZINC000737371364 598314100 /nfs/dbraw/zinc/31/41/00/598314100.db2.gz CVRDYJMAIQSQQQ-UHFFFAOYSA-N -1 3 387.325 2.962 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000737711856 598453371 /nfs/dbraw/zinc/45/33/71/598453371.db2.gz LYZMZZCDAOUECB-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000737711856 598453372 /nfs/dbraw/zinc/45/33/72/598453372.db2.gz LYZMZZCDAOUECB-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736190621 598486379 /nfs/dbraw/zinc/48/63/79/598486379.db2.gz WQIDVMKZNVUDJG-LBPRGKRZSA-N -1 3 379.424 2.701 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736190621 598486381 /nfs/dbraw/zinc/48/63/81/598486381.db2.gz WQIDVMKZNVUDJG-LBPRGKRZSA-N -1 3 379.424 2.701 20 30 GFEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)CSCC#N ZINC000737278810 598542252 /nfs/dbraw/zinc/54/22/52/598542252.db2.gz FYQBOJHPXYCHPM-UHFFFAOYSA-N -1 3 394.460 2.949 20 30 GFEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)CSCC#N ZINC000737278810 598542255 /nfs/dbraw/zinc/54/22/55/598542255.db2.gz FYQBOJHPXYCHPM-UHFFFAOYSA-N -1 3 394.460 2.949 20 30 GFEDHM C=CCSCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735436041 598549002 /nfs/dbraw/zinc/54/90/02/598549002.db2.gz DASIWVWXLNSLPR-UHFFFAOYSA-N -1 3 385.449 2.688 20 30 GFEDHM CC(C)N(CCC#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735858808 598549164 /nfs/dbraw/zinc/54/91/64/598549164.db2.gz GFOPPZPMOYEBAE-UHFFFAOYSA-N -1 3 380.408 2.803 20 30 GFEDHM C#CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735381589 598558040 /nfs/dbraw/zinc/55/80/40/598558040.db2.gz NMDKYJIVECHMPY-UHFFFAOYSA-N -1 3 382.811 2.854 20 30 GFEDHM C#CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000735381589 598558041 /nfs/dbraw/zinc/55/80/41/598558041.db2.gz NMDKYJIVECHMPY-UHFFFAOYSA-N -1 3 382.811 2.854 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000737674085 598589999 /nfs/dbraw/zinc/58/99/99/598589999.db2.gz GFGMALLYUOKFMO-LLVKDONJSA-N -1 3 378.339 2.942 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000737674085 598590000 /nfs/dbraw/zinc/59/00/00/598590000.db2.gz GFGMALLYUOKFMO-LLVKDONJSA-N -1 3 378.339 2.942 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201658 598639096 /nfs/dbraw/zinc/63/90/96/598639096.db2.gz FWVPMRGWXROPBG-XQRVVYSFSA-N -1 3 377.404 2.590 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201658 598639097 /nfs/dbraw/zinc/63/90/97/598639097.db2.gz FWVPMRGWXROPBG-XQRVVYSFSA-N -1 3 377.404 2.590 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203031 598641062 /nfs/dbraw/zinc/64/10/62/598641062.db2.gz QZKAPDGTYGJEAI-FPLPWBNLSA-N -1 3 377.404 2.590 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3c2OCCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203031 598641064 /nfs/dbraw/zinc/64/10/64/598641064.db2.gz QZKAPDGTYGJEAI-FPLPWBNLSA-N -1 3 377.404 2.590 20 30 GFEDHM C=CCN(CC(F)(F)F)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735415946 598654182 /nfs/dbraw/zinc/65/41/82/598654182.db2.gz BBDIMXGXOQGLJX-UHFFFAOYSA-N -1 3 383.374 2.993 20 30 GFEDHM C=CCN(CC(F)(F)F)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735415946 598654183 /nfs/dbraw/zinc/65/41/83/598654183.db2.gz BBDIMXGXOQGLJX-UHFFFAOYSA-N -1 3 383.374 2.993 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000737717726 598663007 /nfs/dbraw/zinc/66/30/07/598663007.db2.gz AJDVKFSIONPWHI-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000737717726 598663009 /nfs/dbraw/zinc/66/30/09/598663009.db2.gz AJDVKFSIONPWHI-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c(F)c1 ZINC000737717369 598669605 /nfs/dbraw/zinc/66/96/05/598669605.db2.gz CPKGACQDQAYFQX-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)c(F)c1 ZINC000737717369 598669606 /nfs/dbraw/zinc/66/96/06/598669606.db2.gz CPKGACQDQAYFQX-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#CCCN(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737687770 598688816 /nfs/dbraw/zinc/68/88/16/598688816.db2.gz VCVGWOGQSMEJCD-UHFFFAOYSA-N -1 3 389.419 2.820 20 30 GFEDHM N#CCCN(CC1CC1)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737687770 598688817 /nfs/dbraw/zinc/68/88/17/598688817.db2.gz VCVGWOGQSMEJCD-UHFFFAOYSA-N -1 3 389.419 2.820 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737717396 598707908 /nfs/dbraw/zinc/70/79/08/598707908.db2.gz CUGZNBSCZQWDCT-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737717396 598707910 /nfs/dbraw/zinc/70/79/10/598707910.db2.gz CUGZNBSCZQWDCT-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM C=CCN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745700 599565936 /nfs/dbraw/zinc/56/59/36/599565936.db2.gz PXYVYSPIQXUKQP-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM C=CCN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745700 599565938 /nfs/dbraw/zinc/56/59/38/599565938.db2.gz PXYVYSPIQXUKQP-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM N#CCC1(COC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000822807144 599627420 /nfs/dbraw/zinc/62/74/20/599627420.db2.gz ZQKJSBYCAOFQAS-UHFFFAOYSA-N -1 3 379.376 2.889 20 30 GFEDHM CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737409604 600212703 /nfs/dbraw/zinc/21/27/03/600212703.db2.gz VDOZHMYJPMINQY-JXFKEZNVSA-N -1 3 386.411 2.981 20 30 GFEDHM N#Cc1ccc([C@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C(=O)[O-])cc1 ZINC000739105276 600595974 /nfs/dbraw/zinc/59/59/74/600595974.db2.gz FVZIGNRRXUEGJN-OALUTQOASA-N -1 3 379.416 2.591 20 30 GFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000833072075 601184322 /nfs/dbraw/zinc/18/43/22/601184322.db2.gz NXUCZXBSPOJVEJ-OAQYLSRUSA-N -1 3 395.434 2.600 20 30 GFEDHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000832103645 602014474 /nfs/dbraw/zinc/01/44/74/602014474.db2.gz WCPWZXFPHSKLEW-RTBURBONSA-N -1 3 396.443 2.683 20 30 GFEDHM COc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1C#N ZINC000826200607 607553537 /nfs/dbraw/zinc/55/35/37/607553537.db2.gz YMVOZYOBIJXQGG-UHFFFAOYSA-N -1 3 394.439 2.625 20 30 GFEDHM COc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1C#N ZINC000826200607 607553539 /nfs/dbraw/zinc/55/35/39/607553539.db2.gz YMVOZYOBIJXQGG-UHFFFAOYSA-N -1 3 394.439 2.625 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C)nc1N(C)C ZINC000823909769 607560745 /nfs/dbraw/zinc/56/07/45/607560745.db2.gz QHIKOXNWNMKUNC-UHFFFAOYSA-N -1 3 392.467 2.856 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C)nc1N(C)C ZINC000823909769 607560746 /nfs/dbraw/zinc/56/07/46/607560746.db2.gz QHIKOXNWNMKUNC-UHFFFAOYSA-N -1 3 392.467 2.856 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826180387 607645964 /nfs/dbraw/zinc/64/59/64/607645964.db2.gz FNBQCAAJKMKDGS-YVMONPNESA-N -1 3 381.367 2.869 20 30 GFEDHM COc1cc(NC(C)=O)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826180387 607645965 /nfs/dbraw/zinc/64/59/65/607645965.db2.gz FNBQCAAJKMKDGS-YVMONPNESA-N -1 3 381.367 2.869 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000825266258 604243797 /nfs/dbraw/zinc/24/37/97/604243797.db2.gz VATTTZDJIGTXGU-OFQRWUPVSA-N -1 3 393.447 2.592 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000825539093 607757621 /nfs/dbraw/zinc/75/76/21/607757621.db2.gz MIVJVMJWFFFARG-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000825539093 607757622 /nfs/dbraw/zinc/75/76/22/607757622.db2.gz MIVJVMJWFFFARG-UHFFFAOYSA-N -1 3 392.379 2.951 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000825545964 607761633 /nfs/dbraw/zinc/76/16/33/607761633.db2.gz ZHVBOTNRFPJRQT-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000825545964 607761634 /nfs/dbraw/zinc/76/16/34/607761634.db2.gz ZHVBOTNRFPJRQT-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1-c1nnn[n-]1 ZINC000822829670 606255468 /nfs/dbraw/zinc/25/54/68/606255468.db2.gz CUNYWAXQJFABEV-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1-c1nn[n-]n1 ZINC000822829670 606255469 /nfs/dbraw/zinc/25/54/69/606255469.db2.gz CUNYWAXQJFABEV-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000822801974 606301042 /nfs/dbraw/zinc/30/10/42/606301042.db2.gz SNYDPXHWVYWARO-FUHWJXTLSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000822801974 606301043 /nfs/dbraw/zinc/30/10/43/606301043.db2.gz SNYDPXHWVYWARO-FUHWJXTLSA-N -1 3 388.431 2.868 20 30 GFEDHM COCCOc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000821693706 606339547 /nfs/dbraw/zinc/33/95/47/606339547.db2.gz KCQZEOLUJSGLHT-MDZDMXLPSA-N -1 3 393.447 2.844 20 30 GFEDHM COCCOc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000821693706 606339548 /nfs/dbraw/zinc/33/95/48/606339548.db2.gz KCQZEOLUJSGLHT-MDZDMXLPSA-N -1 3 393.447 2.844 20 30 GFEDHM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C[C@@H]2C)o1 ZINC000820107692 606340302 /nfs/dbraw/zinc/34/03/02/606340302.db2.gz ABGOCLRLBMZUSC-AWEZNQCLSA-N -1 3 394.483 2.973 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822800928 606505469 /nfs/dbraw/zinc/50/54/69/606505469.db2.gz AZUTVGQUYAUMJS-MOPGFXCFSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822800928 606505471 /nfs/dbraw/zinc/50/54/71/606505471.db2.gz AZUTVGQUYAUMJS-MOPGFXCFSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000822801493 606557467 /nfs/dbraw/zinc/55/74/67/606557467.db2.gz KCCDCWWHPBPEMX-OAHLLOKOSA-N -1 3 386.337 2.809 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000822801493 606557470 /nfs/dbraw/zinc/55/74/70/606557470.db2.gz KCCDCWWHPBPEMX-OAHLLOKOSA-N -1 3 386.337 2.809 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820219939 606657120 /nfs/dbraw/zinc/65/71/20/606657120.db2.gz LRYJYORHZXNSDG-GFCCVEGCSA-N -1 3 378.396 2.820 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000819745815 606674931 /nfs/dbraw/zinc/67/49/31/606674931.db2.gz RZCQUABCNIQNKV-UHFFFAOYSA-N -1 3 380.358 2.845 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000819745815 606674932 /nfs/dbraw/zinc/67/49/32/606674932.db2.gz RZCQUABCNIQNKV-UHFFFAOYSA-N -1 3 380.358 2.845 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1-c1nnn[n-]1 ZINC000822829705 606811391 /nfs/dbraw/zinc/81/13/91/606811391.db2.gz FICPKRQYDANGPT-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1-c1nn[n-]n1 ZINC000822829705 606811392 /nfs/dbraw/zinc/81/13/92/606811392.db2.gz FICPKRQYDANGPT-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM Cc1ccc(F)cc1NC(=O)C=NOCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822241177 606837944 /nfs/dbraw/zinc/83/79/44/606837944.db2.gz NISVYPMTPJOAFG-UHFFFAOYSA-N -1 3 398.398 2.724 20 30 GFEDHM Cc1ccc(F)cc1NC(=O)C=NOCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822241177 606837946 /nfs/dbraw/zinc/83/79/46/606837946.db2.gz NISVYPMTPJOAFG-UHFFFAOYSA-N -1 3 398.398 2.724 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846299 607098850 /nfs/dbraw/zinc/09/88/50/607098850.db2.gz VEKYAJYJPSVZHZ-FFDVJLSRSA-N -1 3 381.442 2.928 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846299 607098851 /nfs/dbraw/zinc/09/88/51/607098851.db2.gz VEKYAJYJPSVZHZ-FFDVJLSRSA-N -1 3 381.442 2.928 20 30 GFEDHM S=C1N=NC(c2ccccc2)N1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823738667 607146667 /nfs/dbraw/zinc/14/66/67/607146667.db2.gz YSJPLNBQZQQRIM-UHFFFAOYSA-N -1 3 387.432 2.777 20 30 GFEDHM S=C1N=NC(c2ccccc2)N1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823738667 607146668 /nfs/dbraw/zinc/14/66/68/607146668.db2.gz YSJPLNBQZQQRIM-UHFFFAOYSA-N -1 3 387.432 2.777 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(OC(C)C)n1 ZINC000823914114 607854399 /nfs/dbraw/zinc/85/43/99/607854399.db2.gz AMNYRSLKMXRXHK-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(OC(C)C)n1 ZINC000823914114 607854400 /nfs/dbraw/zinc/85/44/00/607854400.db2.gz AMNYRSLKMXRXHK-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824329216 607888256 /nfs/dbraw/zinc/88/82/56/607888256.db2.gz LMJARPCGFAENEV-UHFFFAOYSA-N -1 3 381.465 2.974 20 30 GFEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824329216 607888257 /nfs/dbraw/zinc/88/82/57/607888257.db2.gz LMJARPCGFAENEV-UHFFFAOYSA-N -1 3 381.465 2.974 20 30 GFEDHM N#Cc1ccc2c(c1)N(C(=O)CSCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826386105 607945814 /nfs/dbraw/zinc/94/58/14/607945814.db2.gz PAUPSTZHLSHENO-UHFFFAOYSA-N -1 3 376.445 2.561 20 30 GFEDHM N#Cc1ccc2c(c1)N(C(=O)CSCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826386105 607945815 /nfs/dbraw/zinc/94/58/15/607945815.db2.gz PAUPSTZHLSHENO-UHFFFAOYSA-N -1 3 376.445 2.561 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826387474 607953357 /nfs/dbraw/zinc/95/33/57/607953357.db2.gz WWLLTFFGLZPGDD-UHFFFAOYSA-N -1 3 388.431 2.877 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826387474 607953358 /nfs/dbraw/zinc/95/33/58/607953358.db2.gz WWLLTFFGLZPGDD-UHFFFAOYSA-N -1 3 388.431 2.877 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823937463 608074544 /nfs/dbraw/zinc/07/45/44/608074544.db2.gz YULPOQXMFLUPIM-UHFFFAOYSA-N -1 3 386.393 2.582 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823937463 608074545 /nfs/dbraw/zinc/07/45/45/608074545.db2.gz YULPOQXMFLUPIM-UHFFFAOYSA-N -1 3 386.393 2.582 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](O)c1ccccc1Cl ZINC000823914925 608196707 /nfs/dbraw/zinc/19/67/07/608196707.db2.gz OXBIKSBQEHCBIT-QGZVFWFLSA-N -1 3 383.839 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](O)c1ccccc1Cl ZINC000823914925 608196709 /nfs/dbraw/zinc/19/67/09/608196709.db2.gz OXBIKSBQEHCBIT-QGZVFWFLSA-N -1 3 383.839 2.768 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826358548 608302034 /nfs/dbraw/zinc/30/20/34/608302034.db2.gz YBBGTBPBWMJHPJ-UHFFFAOYSA-N -1 3 383.415 2.674 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826358548 608302036 /nfs/dbraw/zinc/30/20/36/608302036.db2.gz YBBGTBPBWMJHPJ-UHFFFAOYSA-N -1 3 383.415 2.674 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnc(Oc3ccccc3)cn2)ccc1-c1nnn[n-]1 ZINC000826384449 608342898 /nfs/dbraw/zinc/34/28/98/608342898.db2.gz WGCAMUVUNSPKLA-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnc(Oc3ccccc3)cn2)ccc1-c1nn[n-]n1 ZINC000826384449 608342899 /nfs/dbraw/zinc/34/28/99/608342899.db2.gz WGCAMUVUNSPKLA-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM COc1cc(C#N)ccc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826176754 608348680 /nfs/dbraw/zinc/34/86/80/608348680.db2.gz BXJULYJHPFCEPH-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM COc1cc(C#N)ccc1COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826176754 608348682 /nfs/dbraw/zinc/34/86/82/608348682.db2.gz BXJULYJHPFCEPH-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM N#Cc1cccc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826386836 608443645 /nfs/dbraw/zinc/44/36/45/608443645.db2.gz UUXZIENWNVZZBO-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1cccc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386836 608443647 /nfs/dbraw/zinc/44/36/47/608443647.db2.gz UUXZIENWNVZZBO-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045640 608465459 /nfs/dbraw/zinc/46/54/59/608465459.db2.gz NSOWXHRCIWLBLO-HNNXBMFYSA-N -1 3 399.458 2.855 20 30 GFEDHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045640 608465461 /nfs/dbraw/zinc/46/54/61/608465461.db2.gz NSOWXHRCIWLBLO-HNNXBMFYSA-N -1 3 399.458 2.855 20 30 GFEDHM N#Cc1cnc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(Cl)c1 ZINC000826387893 608558349 /nfs/dbraw/zinc/55/83/49/608558349.db2.gz XJJUMHQGKSMAGG-UHFFFAOYSA-N -1 3 396.842 2.984 20 30 GFEDHM N#Cc1cnc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c(Cl)c1 ZINC000826387893 608558351 /nfs/dbraw/zinc/55/83/51/608558351.db2.gz XJJUMHQGKSMAGG-UHFFFAOYSA-N -1 3 396.842 2.984 20 30 GFEDHM N#C[C@H]1CSCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826380536 608564929 /nfs/dbraw/zinc/56/49/29/608564929.db2.gz DKEILEJCDOAIAA-KRWDZBQOSA-N -1 3 391.460 2.691 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826380266 608749248 /nfs/dbraw/zinc/74/92/48/608749248.db2.gz SWRKOTPKGVPHPI-OALUTQOASA-N -1 3 384.447 2.786 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826380266 608749250 /nfs/dbraw/zinc/74/92/50/608749250.db2.gz SWRKOTPKGVPHPI-OALUTQOASA-N -1 3 384.447 2.786 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826380267 608749434 /nfs/dbraw/zinc/74/94/34/608749434.db2.gz SWRKOTPKGVPHPI-RBUKOAKNSA-N -1 3 384.447 2.786 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826380267 608749436 /nfs/dbraw/zinc/74/94/36/608749436.db2.gz SWRKOTPKGVPHPI-RBUKOAKNSA-N -1 3 384.447 2.786 20 30 GFEDHM COc1ccccc1NC(=S)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826220330 609158746 /nfs/dbraw/zinc/15/87/46/609158746.db2.gz KJFQUNIFANZWNY-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1ccccc1NC(=S)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826220330 609158748 /nfs/dbraw/zinc/15/87/48/609158748.db2.gz KJFQUNIFANZWNY-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824656850 609239841 /nfs/dbraw/zinc/23/98/41/609239841.db2.gz NJATUSLBCZJAHR-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824656850 609239842 /nfs/dbraw/zinc/23/98/42/609239842.db2.gz NJATUSLBCZJAHR-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM N#CC1(c2ccc(C(=O)OCCOc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380888 609246708 /nfs/dbraw/zinc/24/67/08/609246708.db2.gz PIBXVBZIJRXPDC-UHFFFAOYSA-N -1 3 375.388 2.658 20 30 GFEDHM N#CC1(c2ccc(C(=O)OCCOc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380888 609246709 /nfs/dbraw/zinc/24/67/09/609246709.db2.gz PIBXVBZIJRXPDC-UHFFFAOYSA-N -1 3 375.388 2.658 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000825319164 609273962 /nfs/dbraw/zinc/27/39/62/609273962.db2.gz ZTSAXHRSJQFASM-UHFFFAOYSA-N -1 3 393.455 2.729 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000825319164 609273964 /nfs/dbraw/zinc/27/39/64/609273964.db2.gz ZTSAXHRSJQFASM-UHFFFAOYSA-N -1 3 393.455 2.729 20 30 GFEDHM Cn1cc(C=NNCc2ccc(F)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359390 609304904 /nfs/dbraw/zinc/30/49/04/609304904.db2.gz FNZLPTVFLNMUFO-UHFFFAOYSA-N -1 3 394.389 2.669 20 30 GFEDHM Cn1cc(C=NNCc2ccc(F)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359390 609304905 /nfs/dbraw/zinc/30/49/05/609304905.db2.gz FNZLPTVFLNMUFO-UHFFFAOYSA-N -1 3 394.389 2.669 20 30 GFEDHM COc1cc(F)cc(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826180434 609306090 /nfs/dbraw/zinc/30/60/90/609306090.db2.gz HOXINVWMXOQNKM-UHFFFAOYSA-N -1 3 392.398 2.861 20 30 GFEDHM COc1cc(F)cc(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826180434 609306091 /nfs/dbraw/zinc/30/60/91/609306091.db2.gz HOXINVWMXOQNKM-UHFFFAOYSA-N -1 3 392.398 2.861 20 30 GFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826384571 609337763 /nfs/dbraw/zinc/33/77/63/609337763.db2.gz ASINPVHVVGHLNS-UHFFFAOYSA-N -1 3 384.193 2.858 20 30 GFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826384571 609337765 /nfs/dbraw/zinc/33/77/65/609337765.db2.gz ASINPVHVVGHLNS-UHFFFAOYSA-N -1 3 384.193 2.858 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000826293316 609417788 /nfs/dbraw/zinc/41/77/88/609417788.db2.gz KUNDIMQKAWXUMY-SECBINFHSA-N -1 3 382.409 2.786 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000826293316 609417789 /nfs/dbraw/zinc/41/77/89/609417789.db2.gz KUNDIMQKAWXUMY-SECBINFHSA-N -1 3 382.409 2.786 20 30 GFEDHM Cc1ccnc(NC2CCC(Oc3ccc(C#N)cn3)CC2)c1-c1nnn[n-]1 ZINC000826312816 609585497 /nfs/dbraw/zinc/58/54/97/609585497.db2.gz PAKZXBPGZLCCHZ-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM Cc1ccnc(NC2CCC(Oc3ccc(C#N)cn3)CC2)c1-c1nn[n-]n1 ZINC000826312816 609585499 /nfs/dbraw/zinc/58/54/99/609585499.db2.gz PAKZXBPGZLCCHZ-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM O=C(CCc1cc(C(F)(F)F)ccc1Br)N[C@@H]1CCN([O-])C1=O ZINC000820137570 660282740 /nfs/dbraw/zinc/28/27/40/660282740.db2.gz PYKIFCODXGJKLJ-LLVKDONJSA-N -1 3 395.175 2.507 20 30 GFEDHM C#CCN(CC(=O)NCc1ccc([O-])c(Br)c1)C(=O)OC(C)(C)C ZINC000830565335 660664416 /nfs/dbraw/zinc/66/44/16/660664416.db2.gz MJDPWLYFUBKQQN-UHFFFAOYSA-N -1 3 397.269 2.641 20 30 GFEDHM CCOc1cc(C=NNc2cn[nH]c(=O)c2Cl)cc(Br)c1[O-] ZINC000005646101 654448900 /nfs/dbraw/zinc/44/89/00/654448900.db2.gz DKJXRXZENXVYCB-UHFFFAOYSA-N -1 3 387.621 2.736 20 30 GFEDHM Cc1ccc(C(=O)NCC#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000126679706 654818811 /nfs/dbraw/zinc/81/88/11/654818811.db2.gz BWXYOOXXGLVOPB-UHFFFAOYSA-N -1 3 381.816 2.842 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CC#N)c(Cl)cc1Cl ZINC000194669800 655416867 /nfs/dbraw/zinc/41/68/67/655416867.db2.gz OFLZVNBXDMBMIV-JTQLQIEISA-N -1 3 392.308 2.960 20 30 GFEDHM COc1ccc(S(N)(=O)=O)cc1N=Cc1cc(Br)ccc1[O-] ZINC000255441754 655439075 /nfs/dbraw/zinc/43/90/75/655439075.db2.gz YPOLANNRZLPTIH-UHFFFAOYSA-N -1 3 385.239 2.561 20 30 GFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2nccn21 ZINC000578114163 655472744 /nfs/dbraw/zinc/47/27/44/655472744.db2.gz KOFGKZWIKBGUPB-PRHODGIISA-N -1 3 399.245 2.641 20 30 GFEDHM [O-]c1ccc(Br)cc1C=NNC(=S)NCCc1ccccn1 ZINC000726425230 655534017 /nfs/dbraw/zinc/53/40/17/655534017.db2.gz FUKQLVPCAUYYGE-UHFFFAOYSA-N -1 3 379.283 2.590 20 30 GFEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000736342280 655662386 /nfs/dbraw/zinc/66/23/86/655662386.db2.gz ONADBOWLBVLVQZ-UHFFFAOYSA-N -1 3 382.663 2.657 20 30 GFEDHM CC(C)(C/N=C/c1cc(Br)ccc1[O-])[C@@H]1COCC12OCCO2 ZINC000840710861 661177352 /nfs/dbraw/zinc/17/73/52/661177352.db2.gz MJFUXZIHCFDEHB-UZSVJVCZSA-N -1 3 384.270 2.989 20 30 GFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1c(Cl)nc2ccccn21 ZINC000743448520 655729227 /nfs/dbraw/zinc/72/92/27/655729227.db2.gz SQKRMIRDUWZYCX-UHFFFAOYSA-N -1 3 376.869 2.874 20 30 GFEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000747712840 655782292 /nfs/dbraw/zinc/78/22/92/655782292.db2.gz HDXDRHIXALLXFW-OAOMGELKSA-N -1 3 383.267 2.982 20 30 GFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000757360208 655911067 /nfs/dbraw/zinc/91/10/67/655911067.db2.gz BGPQNYHWRSHHLK-SSDOTTSWSA-N -1 3 382.663 2.742 20 30 GFEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cc2n(n1)CCCO2 ZINC000763928139 656096732 /nfs/dbraw/zinc/09/67/32/656096732.db2.gz AZSHFOIXWVGPCA-LBPRGKRZSA-N -1 3 379.203 2.934 20 30 GFEDHM CC(=NNc1ccccc1S(N)(=O)=O)c1cc(Br)ccc1[O-] ZINC000773126496 656400617 /nfs/dbraw/zinc/40/06/17/656400617.db2.gz YLQJOVPMHWDQSO-UHFFFAOYSA-N -1 3 384.255 2.638 20 30 GFEDHM COC(=O)c1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1Br ZINC000774540711 656536163 /nfs/dbraw/zinc/53/61/63/656536163.db2.gz FJICYDLYROJXGT-UHFFFAOYSA-N -1 3 379.210 2.888 20 30 GFEDHM C#CCO[N-]C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000812782379 660034421 /nfs/dbraw/zinc/03/44/21/660034421.db2.gz RYGKEFUYMZNOEI-UHFFFAOYSA-N -1 3 377.194 2.518 20 30 GFEDHM C=CCOCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000815181089 660115623 /nfs/dbraw/zinc/11/56/23/660115623.db2.gz JTQLWCOFMHRMFA-UHFFFAOYSA-N -1 3 394.276 2.794 20 30 GFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000816690182 660165537 /nfs/dbraw/zinc/16/55/37/660165537.db2.gz KGUCVDCQPLHYRU-LBPRGKRZSA-N -1 3 382.203 2.901 20 30 GFEDHM N#Cc1cc(Br)ccc1CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000845331062 661466814 /nfs/dbraw/zinc/46/68/14/661466814.db2.gz YULMWPPYJBKLSB-UHFFFAOYSA-N -1 3 388.221 2.980 20 30 GFEDHM C#CCCCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000866955526 662511456 /nfs/dbraw/zinc/51/14/56/662511456.db2.gz WCCVOCJCIYRURT-FQEVSTJZSA-N -1 3 393.328 2.544 20 30 GFEDHM N#Cc1ccccc1N1CCC([N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000867612236 662562738 /nfs/dbraw/zinc/56/27/38/662562738.db2.gz XEPDLAFQXQJEGG-UHFFFAOYSA-N -1 3 376.869 2.554 20 30 GFEDHM CN(C)S(=O)(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)o1 ZINC000901380301 663734921 /nfs/dbraw/zinc/73/49/21/663734921.db2.gz SINRSVRXNYAJBM-UHFFFAOYSA-N -1 3 393.248 2.868 20 30 GFEDHM CC[C@H](Sc1nc(CC(=O)N([O-])Cc2ccc(F)cc2)cs1)C(N)=O ZINC000904178679 663826837 /nfs/dbraw/zinc/82/68/37/663826837.db2.gz RGFOMURWMSCTLL-ZDUSSCGKSA-N -1 3 383.470 2.599 20 30 GFEDHM Cn1ccnc1[C@@](O)(CC(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904187160 663827535 /nfs/dbraw/zinc/82/75/35/663827535.db2.gz HPKGZPLWPKHHPF-AWEZNQCLSA-N -1 3 377.750 2.632 20 30 GFEDHM N#Cc1cc(CS(=O)(=O)[N-]CC(=O)c2cc3c(s2)CCCC3)cs1 ZINC000921680325 664560533 /nfs/dbraw/zinc/56/05/33/664560533.db2.gz HGUNLRFTKHXFRB-UHFFFAOYSA-N -1 3 380.516 2.862 20 30 GFEDHM Cc1cc(C)c(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000929062135 664746308 /nfs/dbraw/zinc/74/63/08/664746308.db2.gz SSNAIGJHRYBUMM-UHFFFAOYSA-N -1 3 377.853 2.634 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000156189096 551517049 /nfs/dbraw/zinc/51/70/49/551517049.db2.gz FVXCHJMPAFXUHO-ZDUSSCGKSA-N -1 3 375.431 2.982 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cn2cc(Cl)ccc2n1 ZINC000156360702 551521200 /nfs/dbraw/zinc/52/12/00/551521200.db2.gz BEJPYNQVSSMFLL-UHFFFAOYSA-N -1 3 381.244 2.991 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cn2cc(Cl)ccc2n1 ZINC000156360564 551521238 /nfs/dbraw/zinc/52/12/38/551521238.db2.gz KCYAHTIGWHJYER-UHFFFAOYSA-N -1 3 381.244 2.991 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000156871364 551530153 /nfs/dbraw/zinc/53/01/53/551530153.db2.gz LYNXJTIQGJIDSQ-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1Br ZINC000193034704 552980866 /nfs/dbraw/zinc/98/08/66/552980866.db2.gz ZPZINYWSJUZEBX-UHFFFAOYSA-N -1 3 388.265 2.875 20 30 GFEDHM CCOC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)C ZINC000416468328 563833511 /nfs/dbraw/zinc/83/35/11/563833511.db2.gz FRDLJDCQJVZGBP-ZDUSSCGKSA-N -1 3 375.288 2.660 20 30 GFEDHM N#Cc1cnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(Cl)c1 ZINC000263821669 553193937 /nfs/dbraw/zinc/19/39/37/553193937.db2.gz YGIIPRJSRXLXAC-UHFFFAOYSA-N -1 3 382.898 2.615 20 30 GFEDHM N#Cc1sc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)nc1Cl ZINC000278478939 563258287 /nfs/dbraw/zinc/25/82/87/563258287.db2.gz FILPHCGPWJDNKE-UHFFFAOYSA-N -1 3 388.927 2.677 20 30 GFEDHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC2 ZINC000376461450 563443437 /nfs/dbraw/zinc/44/34/37/563443437.db2.gz YZIPITZUPPBGDY-OAHLLOKOSA-N -1 3 378.885 2.825 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C#N ZINC000330759060 563520421 /nfs/dbraw/zinc/52/04/21/563520421.db2.gz JZYPMOIGWBSVGT-KWQFWETISA-N -1 3 377.235 2.567 20 30 GFEDHM N#CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CC1 ZINC000429982869 563530817 /nfs/dbraw/zinc/53/08/17/563530817.db2.gz DVLZDHVEKRDDFL-CYBMUJFWSA-N -1 3 384.885 2.727 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cc(Br)ccn1 ZINC000432296146 563579984 /nfs/dbraw/zinc/57/99/84/563579984.db2.gz DPJYVDGXLDTLKT-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000435434538 563650438 /nfs/dbraw/zinc/65/04/38/563650438.db2.gz YOIXTUUGIDKOBN-UHFFFAOYSA-N -1 3 384.866 2.565 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OC(F)F ZINC000435446690 563651988 /nfs/dbraw/zinc/65/19/88/563651988.db2.gz LORJPJCRHKALRG-UHFFFAOYSA-N -1 3 388.417 2.751 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000435588077 563653818 /nfs/dbraw/zinc/65/38/18/563653818.db2.gz KCUKIJQJSFUGNQ-HZMBPMFUSA-N -1 3 378.263 2.848 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000289513713 563676490 /nfs/dbraw/zinc/67/64/90/563676490.db2.gz RENJHHHRFMWDDH-JTQLQIEISA-N -1 3 376.385 2.858 20 30 GFEDHM O=S(=O)([N-]Cc1noc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1F ZINC000289964196 563693062 /nfs/dbraw/zinc/69/30/62/563693062.db2.gz TXBKJPQLSBREAR-UHFFFAOYSA-N -1 3 393.240 2.725 20 30 GFEDHM C=CCN(CC=C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438339580 563703901 /nfs/dbraw/zinc/70/39/01/563703901.db2.gz UAIHDCHWUSPCMF-UHFFFAOYSA-N -1 3 377.388 2.733 20 30 GFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000291003526 563729501 /nfs/dbraw/zinc/72/95/01/563729501.db2.gz VKSAGILHEHWBDO-SJCJKPOMSA-N -1 3 384.885 2.726 20 30 GFEDHM COc1ccc(OCCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443017170 563788015 /nfs/dbraw/zinc/78/80/15/563788015.db2.gz YSTLCJXBZCDMDB-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1Cl ZINC000443019838 563788183 /nfs/dbraw/zinc/78/81/83/563788183.db2.gz QAKJLHCQBXOYTI-UHFFFAOYSA-N -1 3 398.271 2.573 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(OCC2CC2)nc1 ZINC000443042165 563789293 /nfs/dbraw/zinc/78/92/93/563789293.db2.gz XJNWSZGYWUFFRO-UHFFFAOYSA-N -1 3 377.853 2.874 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccc3c(c2)OCO3)CC1 ZINC000443499155 563807382 /nfs/dbraw/zinc/80/73/82/563807382.db2.gz NENQWQQXXDFWON-UHFFFAOYSA-N -1 3 376.821 2.908 20 30 GFEDHM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)NCC(F)F ZINC000444347933 563829092 /nfs/dbraw/zinc/82/90/92/563829092.db2.gz ZKWWQGWATUMHBP-VIFPVBQESA-N -1 3 378.219 2.806 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNC(=O)c2ccc(Cl)cc2)c1 ZINC000475525112 564310674 /nfs/dbraw/zinc/31/06/74/564310674.db2.gz BNVRZLGCTWSMNX-UHFFFAOYSA-N -1 3 398.271 2.573 20 30 GFEDHM N#CC1(CCC[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)CCOCC1 ZINC000543789166 564364043 /nfs/dbraw/zinc/36/40/43/564364043.db2.gz ZFMKIIYTPNGWMV-VWLOTQADSA-N -1 3 377.388 2.550 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Br)CC1 ZINC000515030088 564466864 /nfs/dbraw/zinc/46/68/64/564466864.db2.gz IVTHZWNJZOQMHF-UHFFFAOYSA-N -1 3 394.088 2.794 20 30 GFEDHM C=C(C)CCNC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000453887737 564478856 /nfs/dbraw/zinc/47/88/56/564478856.db2.gz XNYQZCWLVFLHMK-UHFFFAOYSA-N -1 3 382.507 2.735 20 30 GFEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)c2nccn21 ZINC000571057993 564534413 /nfs/dbraw/zinc/53/44/13/564534413.db2.gz UEURHSXEXYBZHU-JOYOIKCWSA-N -1 3 381.255 2.502 20 30 GFEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccncc2I)c(F)c1 ZINC000483364879 564565803 /nfs/dbraw/zinc/56/58/03/564565803.db2.gz LQNFAWUWHUPHSK-UHFFFAOYSA-N -1 3 385.111 2.510 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000553532935 564724854 /nfs/dbraw/zinc/72/48/54/564724854.db2.gz FCRWRPVJSZXPRM-UHFFFAOYSA-N -1 3 393.262 2.829 20 30 GFEDHM CCOC1CC(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000553856298 564740859 /nfs/dbraw/zinc/74/08/59/564740859.db2.gz HBXFTBMMKQJZFL-UHFFFAOYSA-N -1 3 387.299 2.804 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)S(=O)(=O)N3C)n1 ZINC000528906518 564809382 /nfs/dbraw/zinc/80/93/82/564809382.db2.gz FDTPXFAAMGFUDX-LBPRGKRZSA-N -1 3 375.475 2.956 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000556323826 564819004 /nfs/dbraw/zinc/81/90/04/564819004.db2.gz LHBMPWIOXGPYJL-CZUORRHYSA-N -1 3 377.853 2.805 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCC1 ZINC000583613695 564899741 /nfs/dbraw/zinc/89/97/41/564899741.db2.gz FIDVCEIPLAJOPW-CYBMUJFWSA-N -1 3 384.885 2.727 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000503867142 565029416 /nfs/dbraw/zinc/02/94/16/565029416.db2.gz ANWUQDDQZSRDKF-ZDUSSCGKSA-N -1 3 395.893 2.747 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000503885916 565030716 /nfs/dbraw/zinc/03/07/16/565030716.db2.gz PSSSMIRYWLYZBS-UHFFFAOYSA-N -1 3 376.821 2.908 20 30 GFEDHM N#CCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000588147401 565128523 /nfs/dbraw/zinc/12/85/23/565128523.db2.gz CFOYAABOEMCHSQ-UHFFFAOYSA-N -1 3 377.388 2.940 20 30 GFEDHM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000590793635 565204234 /nfs/dbraw/zinc/20/42/34/565204234.db2.gz BCAHHGWSPKQPBJ-SECBINFHSA-N -1 3 394.312 2.759 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1CCCCO1 ZINC000594488452 565395593 /nfs/dbraw/zinc/39/55/93/565395593.db2.gz RIHHEMKDWRMGBK-KBPBESRZSA-N -1 3 387.299 2.947 20 30 GFEDHM COC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@@H]1CCCO1 ZINC000594771282 565418944 /nfs/dbraw/zinc/41/89/44/565418944.db2.gz SMUXTHBDYFMBCS-GJZGRUSLSA-N -1 3 380.491 2.554 20 30 GFEDHM O=S(=O)([N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)cc1F ZINC000644281821 565470169 /nfs/dbraw/zinc/47/01/69/565470169.db2.gz YIRJTXXKUFZGJF-KCJUWKMLSA-N -1 3 395.296 2.969 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000644865165 565499363 /nfs/dbraw/zinc/49/93/63/565499363.db2.gz CGKOXZPMPANPDW-JSGCOSHPSA-N -1 3 397.294 2.867 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000645745516 565557924 /nfs/dbraw/zinc/55/79/24/565557924.db2.gz OUKJHZNRBSCYHE-OLZOCXBDSA-N -1 3 380.691 2.865 20 30 GFEDHM N#CCN1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000609334356 566035962 /nfs/dbraw/zinc/03/59/62/566035962.db2.gz NREWGKYTUHGHTE-UHFFFAOYSA-N -1 3 381.807 2.625 20 30 GFEDHM COc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611017088 566111668 /nfs/dbraw/zinc/11/16/68/566111668.db2.gz FSOIHRXOQXWBBJ-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM C=CCOCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000683261819 566191298 /nfs/dbraw/zinc/19/12/98/566191298.db2.gz QVEOLPHLOILKRG-UHFFFAOYSA-N -1 3 385.645 2.876 20 30 GFEDHM C=CCOCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000683261819 566191301 /nfs/dbraw/zinc/19/13/01/566191301.db2.gz QVEOLPHLOILKRG-UHFFFAOYSA-N -1 3 385.645 2.876 20 30 GFEDHM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nc1 ZINC000737710056 598836336 /nfs/dbraw/zinc/83/63/36/598836336.db2.gz QWKKNROUVAOMCU-UHFFFAOYSA-N -1 3 387.428 2.792 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736039454 598888141 /nfs/dbraw/zinc/88/81/41/598888141.db2.gz JMMBOMMCPRETAT-CMUBDUJZSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736039454 598888144 /nfs/dbraw/zinc/88/81/44/598888144.db2.gz JMMBOMMCPRETAT-CMUBDUJZSA-N -1 3 375.388 2.762 20 30 GFEDHM COc1ccc(OC)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737109462 598890841 /nfs/dbraw/zinc/89/08/41/598890841.db2.gz RJBOHXXLGMRRRK-SOFGYWHQSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1ccc(OC)c(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737109462 598890843 /nfs/dbraw/zinc/89/08/43/598890843.db2.gz RJBOHXXLGMRRRK-SOFGYWHQSA-N -1 3 379.420 2.836 20 30 GFEDHM CC(C)Oc1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Cl ZINC000735913652 598913498 /nfs/dbraw/zinc/91/34/98/598913498.db2.gz LUVUJRXOYOOQAU-UHFFFAOYSA-N -1 3 383.799 2.826 20 30 GFEDHM CC(C)Oc1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Cl ZINC000735913652 598913499 /nfs/dbraw/zinc/91/34/99/598913499.db2.gz LUVUJRXOYOOQAU-UHFFFAOYSA-N -1 3 383.799 2.826 20 30 GFEDHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2)n1 ZINC000737255965 598915047 /nfs/dbraw/zinc/91/50/47/598915047.db2.gz FYOXCRJYDJLXGE-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2)n1 ZINC000737255965 598915048 /nfs/dbraw/zinc/91/50/48/598915048.db2.gz FYOXCRJYDJLXGE-UHFFFAOYSA-N -1 3 398.430 2.852 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccc1 ZINC000736670343 598926262 /nfs/dbraw/zinc/92/62/62/598926262.db2.gz MWGMKQJEUFNHNJ-UHFFFAOYSA-N -1 3 384.403 2.739 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccc1 ZINC000736670343 598926264 /nfs/dbraw/zinc/92/62/64/598926264.db2.gz MWGMKQJEUFNHNJ-UHFFFAOYSA-N -1 3 384.403 2.739 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737707727 598926720 /nfs/dbraw/zinc/92/67/20/598926720.db2.gz BKWLQWTWKFQHKU-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737707727 598926721 /nfs/dbraw/zinc/92/67/21/598926721.db2.gz BKWLQWTWKFQHKU-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)ccc1-c1nnn[n-]1 ZINC000737710236 598927347 /nfs/dbraw/zinc/92/73/47/598927347.db2.gz VWUUNIWXEGNDCN-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)ccc1-c1nn[n-]n1 ZINC000737710236 598927348 /nfs/dbraw/zinc/92/73/48/598927348.db2.gz VWUUNIWXEGNDCN-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822486283 607254500 /nfs/dbraw/zinc/25/45/00/607254500.db2.gz DVPQRZQXIWJEMM-UHFFFAOYSA-N -1 3 390.426 2.932 20 30 GFEDHM Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822486283 607254501 /nfs/dbraw/zinc/25/45/01/607254501.db2.gz DVPQRZQXIWJEMM-UHFFFAOYSA-N -1 3 390.426 2.932 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736509399 598970235 /nfs/dbraw/zinc/97/02/35/598970235.db2.gz XMMKXRYKAVHRAT-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736509399 598970236 /nfs/dbraw/zinc/97/02/36/598970236.db2.gz XMMKXRYKAVHRAT-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)cn1 ZINC000737713449 598993282 /nfs/dbraw/zinc/99/32/82/598993282.db2.gz XQCBEMVMBYSBIM-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000737717365 599174912 /nfs/dbraw/zinc/17/49/12/599174912.db2.gz CMAKWPMQKKMFCQ-MRXNPFEDSA-N -1 3 380.408 2.775 20 30 GFEDHM N#Cc1ccc(N2CC[C@@H](Sc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000737717365 599174915 /nfs/dbraw/zinc/17/49/15/599174915.db2.gz CMAKWPMQKKMFCQ-MRXNPFEDSA-N -1 3 380.408 2.775 20 30 GFEDHM COc1ccc2nc(C)c(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2c1 ZINC000737120109 599192073 /nfs/dbraw/zinc/19/20/73/599192073.db2.gz IQGKROBTBBAEPW-UHFFFAOYSA-N -1 3 385.387 2.856 20 30 GFEDHM COc1ccc2nc(C)c(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2c1 ZINC000737120109 599192075 /nfs/dbraw/zinc/19/20/75/599192075.db2.gz IQGKROBTBBAEPW-UHFFFAOYSA-N -1 3 385.387 2.856 20 30 GFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820690557 607301168 /nfs/dbraw/zinc/30/11/68/607301168.db2.gz NYHZWVWVCGYIAV-VBKZILBWSA-N -1 3 395.467 2.564 20 30 GFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820690557 607301169 /nfs/dbraw/zinc/30/11/69/607301169.db2.gz NYHZWVWVCGYIAV-VBKZILBWSA-N -1 3 395.467 2.564 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735418816 598327567 /nfs/dbraw/zinc/32/75/67/598327567.db2.gz JMAYNYACCXZDKN-UHFFFAOYSA-N -1 3 380.427 2.946 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735418816 598327569 /nfs/dbraw/zinc/32/75/69/598327569.db2.gz JMAYNYACCXZDKN-UHFFFAOYSA-N -1 3 380.427 2.946 20 30 GFEDHM Cc1ccc(N=NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nn1 ZINC000737362819 598357719 /nfs/dbraw/zinc/35/77/19/598357719.db2.gz YFPNBNRLSYXLID-UHFFFAOYSA-N -1 3 386.419 2.990 20 30 GFEDHM Cc1ccc(N=NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nn1 ZINC000737362819 598357720 /nfs/dbraw/zinc/35/77/20/598357720.db2.gz YFPNBNRLSYXLID-UHFFFAOYSA-N -1 3 386.419 2.990 20 30 GFEDHM C=CCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000735408368 598358648 /nfs/dbraw/zinc/35/86/48/598358648.db2.gz KBDNNKJHVMJJPX-UHFFFAOYSA-N -1 3 394.435 2.722 20 30 GFEDHM C=CCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000735408368 598358649 /nfs/dbraw/zinc/35/86/49/598358649.db2.gz KBDNNKJHVMJJPX-UHFFFAOYSA-N -1 3 394.435 2.722 20 30 GFEDHM COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736950670 598378180 /nfs/dbraw/zinc/37/81/80/598378180.db2.gz KKHLQKSJNLEGIY-YFHOEESVSA-N -1 3 377.404 2.606 20 30 GFEDHM COC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736950670 598378183 /nfs/dbraw/zinc/37/81/83/598378183.db2.gz KKHLQKSJNLEGIY-YFHOEESVSA-N -1 3 377.404 2.606 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc(OC)c1 ZINC000737041428 598378640 /nfs/dbraw/zinc/37/86/40/598378640.db2.gz KUPXKKZFJMOMEU-SREVYHEPSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc(OC)c1 ZINC000737041428 598378641 /nfs/dbraw/zinc/37/86/41/598378641.db2.gz KUPXKKZFJMOMEU-SREVYHEPSA-N -1 3 379.420 2.836 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735387585 598417067 /nfs/dbraw/zinc/41/70/67/598417067.db2.gz AMKWNCQVQMDQJH-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735387585 598417068 /nfs/dbraw/zinc/41/70/68/598417068.db2.gz AMKWNCQVQMDQJH-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735831034 598506529 /nfs/dbraw/zinc/50/65/29/598506529.db2.gz MIDVXHYAXPSXFX-UHFFFAOYSA-N -1 3 396.476 2.731 20 30 GFEDHM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735831034 598506531 /nfs/dbraw/zinc/50/65/31/598506531.db2.gz MIDVXHYAXPSXFX-UHFFFAOYSA-N -1 3 396.476 2.731 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1ncn(C(C)(C)C)c1=S ZINC000735426602 598519361 /nfs/dbraw/zinc/51/93/61/598519361.db2.gz SNSKISLQMXTVGT-UHFFFAOYSA-N -1 3 384.513 2.995 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ncn(C(C)(C)C)c1=S ZINC000735426602 598519363 /nfs/dbraw/zinc/51/93/63/598519363.db2.gz SNSKISLQMXTVGT-UHFFFAOYSA-N -1 3 384.513 2.995 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ncc(-c2cccs2)o1 ZINC000737704670 598582522 /nfs/dbraw/zinc/58/25/22/598582522.db2.gz IRQZZOCHRVDMNO-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ncc(-c2cccs2)o1 ZINC000737704670 598582523 /nfs/dbraw/zinc/58/25/23/598582523.db2.gz IRQZZOCHRVDMNO-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM Cc1c(C(=O)C=Cc2nccn2CC(F)(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203693 598640851 /nfs/dbraw/zinc/64/08/51/598640851.db2.gz VNFMZZVIRDHHKG-SNAWJCMRSA-N -1 3 391.357 2.578 20 30 GFEDHM Cc1c(C(=O)C=Cc2nccn2CC(F)(F)F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203693 598640853 /nfs/dbraw/zinc/64/08/53/598640853.db2.gz VNFMZZVIRDHHKG-SNAWJCMRSA-N -1 3 391.357 2.578 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735436343 598667585 /nfs/dbraw/zinc/66/75/85/598667585.db2.gz JOAKBOKCDHZNIN-AWEZNQCLSA-N -1 3 379.420 2.515 20 30 GFEDHM COc1cccc(C=NOCCCOc2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000737129584 598698914 /nfs/dbraw/zinc/69/89/14/598698914.db2.gz LKFYFARCIJWADE-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737717626 598711422 /nfs/dbraw/zinc/71/14/22/598711422.db2.gz HWBOCUWTZYMJMA-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737717626 598711423 /nfs/dbraw/zinc/71/14/23/598711423.db2.gz HWBOCUWTZYMJMA-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735436045 598714665 /nfs/dbraw/zinc/71/46/65/598714665.db2.gz DDYIRYRWQKUYEF-CQSZACIVSA-N -1 3 378.436 2.992 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735436045 598714667 /nfs/dbraw/zinc/71/46/67/598714667.db2.gz DDYIRYRWQKUYEF-CQSZACIVSA-N -1 3 378.436 2.992 20 30 GFEDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000738115462 598731080 /nfs/dbraw/zinc/73/10/80/598731080.db2.gz BSKPJKZVUTVHAA-UHFFFAOYSA-N -1 3 395.426 2.983 20 30 GFEDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000738115462 598731082 /nfs/dbraw/zinc/73/10/82/598731082.db2.gz BSKPJKZVUTVHAA-UHFFFAOYSA-N -1 3 395.426 2.983 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000819746100 599296186 /nfs/dbraw/zinc/29/61/86/599296186.db2.gz ZTVJTXGSOVOWFQ-UHFFFAOYSA-N -1 3 378.440 2.693 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000819746100 599296187 /nfs/dbraw/zinc/29/61/87/599296187.db2.gz ZTVJTXGSOVOWFQ-UHFFFAOYSA-N -1 3 378.440 2.693 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cnn(-c2ccccc2)c1 ZINC000737804436 599464138 /nfs/dbraw/zinc/46/41/38/599464138.db2.gz BKKJNODADHBAKF-BQYQJAHWSA-N -1 3 382.387 2.596 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cnn(-c2ccccc2)c1 ZINC000737804436 599464139 /nfs/dbraw/zinc/46/41/39/599464139.db2.gz BKKJNODADHBAKF-BQYQJAHWSA-N -1 3 382.387 2.596 20 30 GFEDHM N#CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCC1 ZINC000737694864 599551614 /nfs/dbraw/zinc/55/16/14/599551614.db2.gz YOLGRAVVPSOXRO-UHFFFAOYSA-N -1 3 389.419 2.962 20 30 GFEDHM N#CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCC1 ZINC000737694864 599551616 /nfs/dbraw/zinc/55/16/16/599551616.db2.gz YOLGRAVVPSOXRO-UHFFFAOYSA-N -1 3 389.419 2.962 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1-c1nnn[n-]1 ZINC000822823636 599631534 /nfs/dbraw/zinc/63/15/34/599631534.db2.gz VMWGAMNWNUFURG-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1-c1nn[n-]n1 ZINC000822823636 599631535 /nfs/dbraw/zinc/63/15/35/599631535.db2.gz VMWGAMNWNUFURG-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000820170022 607427974 /nfs/dbraw/zinc/42/79/74/607427974.db2.gz NUZZODYBAXNGDC-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC000820170022 607427975 /nfs/dbraw/zinc/42/79/75/607427975.db2.gz NUZZODYBAXNGDC-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737369897 600356634 /nfs/dbraw/zinc/35/66/34/600356634.db2.gz MCFDMUSKZPJJRA-UHFFFAOYSA-N -1 3 395.463 2.922 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccn1 ZINC000822015294 607460158 /nfs/dbraw/zinc/46/01/58/607460158.db2.gz GXYWQSNNHUQBRT-BQYQJAHWSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccn1 ZINC000822015294 607460159 /nfs/dbraw/zinc/46/01/59/607460159.db2.gz GXYWQSNNHUQBRT-BQYQJAHWSA-N -1 3 375.367 2.791 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000832389323 601236562 /nfs/dbraw/zinc/23/65/62/601236562.db2.gz RGPOBOUXRZZGHE-NQBHXWOUSA-N -1 3 378.812 2.887 20 30 GFEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000833065062 601845820 /nfs/dbraw/zinc/84/58/20/601845820.db2.gz RCCYISHDAJBHKM-INIZCTEOSA-N -1 3 378.432 2.800 20 30 GFEDHM OCC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000826507977 607531483 /nfs/dbraw/zinc/53/14/83/607531483.db2.gz ZVLQFRGGYJUVFP-UHFFFAOYSA-N -1 3 398.295 2.972 20 30 GFEDHM OCC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000826507977 607531485 /nfs/dbraw/zinc/53/14/85/607531485.db2.gz ZVLQFRGGYJUVFP-UHFFFAOYSA-N -1 3 398.295 2.972 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823919708 607544870 /nfs/dbraw/zinc/54/48/70/607544870.db2.gz NTLQLRHFCOYQFU-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823919708 607544873 /nfs/dbraw/zinc/54/48/73/607544873.db2.gz NTLQLRHFCOYQFU-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM COc1ccc(COC(=O)CSc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826205663 607605817 /nfs/dbraw/zinc/60/58/17/607605817.db2.gz GKVGJYZHORWIJF-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM COc1ccc(COC(=O)CSc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826205663 607605819 /nfs/dbraw/zinc/60/58/19/607605819.db2.gz GKVGJYZHORWIJF-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM CN(C(=O)[O-])[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000827889404 603841386 /nfs/dbraw/zinc/84/13/86/603841386.db2.gz GTGMBNCCXCBTOP-GFCCVEGCSA-N -1 3 376.482 2.511 20 30 GFEDHM CN(C(=O)[O-])[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000827889405 603841411 /nfs/dbraw/zinc/84/14/11/603841411.db2.gz GTGMBNCCXCBTOP-LBPRGKRZSA-N -1 3 376.482 2.511 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000825252233 604171697 /nfs/dbraw/zinc/17/16/97/604171697.db2.gz CTPOMXRHIQDBTC-IHRRRGAJSA-N -1 3 386.477 2.841 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829134979 604222206 /nfs/dbraw/zinc/22/22/06/604222206.db2.gz NLDONTIUMBEUGM-SDDRHHMPSA-N -1 3 393.827 2.741 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826257195 607685411 /nfs/dbraw/zinc/68/54/11/607685411.db2.gz RSGAQHKNCAYCTE-UHFFFAOYSA-N -1 3 388.431 2.730 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826257195 607685413 /nfs/dbraw/zinc/68/54/13/607685413.db2.gz RSGAQHKNCAYCTE-UHFFFAOYSA-N -1 3 388.431 2.730 20 30 GFEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833959939 606012828 /nfs/dbraw/zinc/01/28/28/606012828.db2.gz DZQMVYXYHBFXJI-CYBMUJFWSA-N -1 3 375.344 2.681 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000819745601 606142774 /nfs/dbraw/zinc/14/27/74/606142774.db2.gz LQLKSGPBWCSLQH-ZRDIBKRKSA-N -1 3 399.451 2.995 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000819745601 606142775 /nfs/dbraw/zinc/14/27/75/606142775.db2.gz LQLKSGPBWCSLQH-ZRDIBKRKSA-N -1 3 399.451 2.995 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822665824 606227460 /nfs/dbraw/zinc/22/74/60/606227460.db2.gz ZOXWQLHRRPUFCV-UHFFFAOYSA-N -1 3 386.375 2.516 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822665824 606227462 /nfs/dbraw/zinc/22/74/62/606227462.db2.gz ZOXWQLHRRPUFCV-UHFFFAOYSA-N -1 3 386.375 2.516 20 30 GFEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000821337106 606303132 /nfs/dbraw/zinc/30/31/32/606303132.db2.gz BHEBFHVGRJAABD-UXBLZVDNSA-N -1 3 383.433 2.954 20 30 GFEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000821337106 606303134 /nfs/dbraw/zinc/30/31/34/606303134.db2.gz BHEBFHVGRJAABD-UXBLZVDNSA-N -1 3 383.433 2.954 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000822010230 606358920 /nfs/dbraw/zinc/35/89/20/606358920.db2.gz TZCGZRIRMGKONP-ZDUSSCGKSA-N -1 3 392.419 2.693 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822801547 606440707 /nfs/dbraw/zinc/44/07/07/606440707.db2.gz KNMJNINYIZRSEQ-MOPGFXCFSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822801547 606440709 /nfs/dbraw/zinc/44/07/09/606440709.db2.gz KNMJNINYIZRSEQ-MOPGFXCFSA-N -1 3 387.447 2.848 20 30 GFEDHM COc1ccccc1N=C1SCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821898480 606489095 /nfs/dbraw/zinc/48/90/95/606489095.db2.gz PFGFXMDBXFQTKI-UHFFFAOYSA-N -1 3 394.460 2.681 20 30 GFEDHM COc1ccccc1N=C1SCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821898480 606489096 /nfs/dbraw/zinc/48/90/96/606489096.db2.gz PFGFXMDBXFQTKI-UHFFFAOYSA-N -1 3 394.460 2.681 20 30 GFEDHM CC(N=Nc1nc(Br)cn2ccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000819782255 606622957 /nfs/dbraw/zinc/62/29/57/606622957.db2.gz JGXAXRDUMWQXIJ-UHFFFAOYSA-N -1 3 398.228 2.508 20 30 GFEDHM CC(N=Nc1nc(Br)cn2ccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000819782255 606622959 /nfs/dbraw/zinc/62/29/59/606622959.db2.gz JGXAXRDUMWQXIJ-UHFFFAOYSA-N -1 3 398.228 2.508 20 30 GFEDHM C#CCOc1cc(F)ccc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819709869 606704306 /nfs/dbraw/zinc/70/43/06/606704306.db2.gz SAJWZZLEMLTXDE-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM C#CCOc1cc(F)ccc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819709869 606704307 /nfs/dbraw/zinc/70/43/07/606704307.db2.gz SAJWZZLEMLTXDE-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CCO2 ZINC000821849273 606836331 /nfs/dbraw/zinc/83/63/31/606836331.db2.gz BSJMYXGERKOZJC-LCYFTJDESA-N -1 3 378.388 2.933 20 30 GFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CCO2 ZINC000821849273 606836334 /nfs/dbraw/zinc/83/63/34/606836334.db2.gz BSJMYXGERKOZJC-LCYFTJDESA-N -1 3 378.388 2.933 20 30 GFEDHM N#CCc1ccnc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000822814238 606955955 /nfs/dbraw/zinc/95/59/55/606955955.db2.gz CTJBKGPZDDZQDT-UHFFFAOYSA-N -1 3 398.386 2.767 20 30 GFEDHM N#CCc1ccnc(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000822814238 606955957 /nfs/dbraw/zinc/95/59/57/606955957.db2.gz CTJBKGPZDDZQDT-UHFFFAOYSA-N -1 3 398.386 2.767 20 30 GFEDHM N#Cc1cccc(NC(=O)COc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000822837882 607032153 /nfs/dbraw/zinc/03/21/53/607032153.db2.gz WRJQOLQRFJQLDO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1cccc(NC(=O)COc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000822837882 607032155 /nfs/dbraw/zinc/03/21/55/607032155.db2.gz WRJQOLQRFJQLDO-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000821293593 607099411 /nfs/dbraw/zinc/09/94/11/607099411.db2.gz LNLNLLDZAFOUQN-GFCCVEGCSA-N -1 3 377.408 2.576 20 30 GFEDHM C=CCc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000823937199 607876170 /nfs/dbraw/zinc/87/61/70/607876170.db2.gz METYBCCIWQNCKA-QGZVFWFLSA-N -1 3 396.447 2.731 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823937384 607892684 /nfs/dbraw/zinc/89/26/84/607892684.db2.gz VNAGITZVTVVLBZ-UHFFFAOYSA-N -1 3 395.375 2.869 20 30 GFEDHM C=CCc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823937384 607892685 /nfs/dbraw/zinc/89/26/85/607892685.db2.gz VNAGITZVTVVLBZ-UHFFFAOYSA-N -1 3 395.375 2.869 20 30 GFEDHM N#Cc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ccccc2n1 ZINC000826384259 608052521 /nfs/dbraw/zinc/05/25/21/608052521.db2.gz NODNORUXKTYPMX-FQEVSTJZSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c2ccccc2n1 ZINC000826384259 608052522 /nfs/dbraw/zinc/05/25/22/608052522.db2.gz NODNORUXKTYPMX-FQEVSTJZSA-N -1 3 383.415 2.864 20 30 GFEDHM Clc1ccccc1C#CCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826353451 608067647 /nfs/dbraw/zinc/06/76/47/608067647.db2.gz PQCOGHOWPQJBGU-IBGZPJMESA-N -1 3 379.851 2.945 20 30 GFEDHM Clc1ccccc1C#CCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826353451 608067648 /nfs/dbraw/zinc/06/76/48/608067648.db2.gz PQCOGHOWPQJBGU-IBGZPJMESA-N -1 3 379.851 2.945 20 30 GFEDHM N#Cc1cccc(OCCCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826387430 608071996 /nfs/dbraw/zinc/07/19/96/608071996.db2.gz VCGDLZKEPPCRBE-FQEVSTJZSA-N -1 3 390.447 2.581 20 30 GFEDHM C[C@@]1(C#N)CCCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000824779137 608140775 /nfs/dbraw/zinc/14/07/75/608140775.db2.gz SYPCLNHPVSYBAF-FQEVSTJZSA-N -1 3 392.419 2.805 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384301 608163473 /nfs/dbraw/zinc/16/34/73/608163473.db2.gz PSQYDCSZCUJTJJ-UHFFFAOYSA-N -1 3 375.757 2.614 20 30 GFEDHM N#CC1(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)CCCCC1 ZINC000826380122 608206229 /nfs/dbraw/zinc/20/62/29/608206229.db2.gz NWXRBRXUPJKEPX-UHFFFAOYSA-N -1 3 376.873 2.955 20 30 GFEDHM N#CC1(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)CCCCC1 ZINC000826380122 608206231 /nfs/dbraw/zinc/20/62/31/608206231.db2.gz NWXRBRXUPJKEPX-UHFFFAOYSA-N -1 3 376.873 2.955 20 30 GFEDHM C[C@H]1CC(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)=NO1 ZINC000824892581 608207976 /nfs/dbraw/zinc/20/79/76/608207976.db2.gz KKKRICGOKKUXFW-NSHDSACASA-N -1 3 380.433 2.870 20 30 GFEDHM C[C@H]1CC(NC(=O)c2ccc(Sc3ccccc3-c3nn[n-]n3)cc2)=NO1 ZINC000824892581 608207977 /nfs/dbraw/zinc/20/79/77/608207977.db2.gz KKKRICGOKKUXFW-NSHDSACASA-N -1 3 380.433 2.870 20 30 GFEDHM C=CCNc1ncc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000823925934 608559355 /nfs/dbraw/zinc/55/93/55/608559355.db2.gz ROCMBWLWMROCTQ-UHFFFAOYSA-N -1 3 393.476 2.851 20 30 GFEDHM C=CCNc1ncc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000823925934 608559357 /nfs/dbraw/zinc/55/93/57/608559357.db2.gz ROCMBWLWMROCTQ-UHFFFAOYSA-N -1 3 393.476 2.851 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826380265 608749591 /nfs/dbraw/zinc/74/95/91/608749591.db2.gz SWRKOTPKGVPHPI-MOPGFXCFSA-N -1 3 384.447 2.786 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826380265 608749593 /nfs/dbraw/zinc/74/95/93/608749593.db2.gz SWRKOTPKGVPHPI-MOPGFXCFSA-N -1 3 384.447 2.786 20 30 GFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824034982 609226203 /nfs/dbraw/zinc/22/62/03/609226203.db2.gz RDSOTFNYVFSUNP-PXAZEXFGSA-N -1 3 394.460 2.791 20 30 GFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824034982 609226205 /nfs/dbraw/zinc/22/62/05/609226205.db2.gz RDSOTFNYVFSUNP-PXAZEXFGSA-N -1 3 394.460 2.791 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000826383284 609279627 /nfs/dbraw/zinc/27/96/27/609279627.db2.gz SKPHCERXWIEHSK-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000826383284 609279628 /nfs/dbraw/zinc/27/96/28/609279628.db2.gz SKPHCERXWIEHSK-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM Fc1ccc(F)c2c1OCCC2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826375652 609470127 /nfs/dbraw/zinc/47/01/27/609470127.db2.gz WWLJYHMALJXSQE-UHFFFAOYSA-N -1 3 377.742 2.792 20 30 GFEDHM Fc1ccc(F)c2c1OCCC2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826375652 609470129 /nfs/dbraw/zinc/47/01/29/609470129.db2.gz WWLJYHMALJXSQE-UHFFFAOYSA-N -1 3 377.742 2.792 20 30 GFEDHM COC(=O)COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826137958 609471273 /nfs/dbraw/zinc/47/12/73/609471273.db2.gz AONYNDUJMCDBDG-UHFFFAOYSA-N -1 3 386.799 2.518 20 30 GFEDHM COC(=O)COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826137958 609471276 /nfs/dbraw/zinc/47/12/76/609471276.db2.gz AONYNDUJMCDBDG-UHFFFAOYSA-N -1 3 386.799 2.518 20 30 GFEDHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(C)n1-c1cccc(Br)c1 ZINC000820185013 660284370 /nfs/dbraw/zinc/28/43/70/660284370.db2.gz HERZFXYXTXEXAE-HNNXBMFYSA-N -1 3 392.253 2.577 20 30 GFEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Br)cc1 ZINC000826387957 660454275 /nfs/dbraw/zinc/45/42/75/660454275.db2.gz BQYYPYVSQQDFSA-UHFFFAOYSA-N -1 3 391.204 2.605 20 30 GFEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Br)cc1 ZINC000826387957 660454277 /nfs/dbraw/zinc/45/42/77/660454277.db2.gz BQYYPYVSQQDFSA-UHFFFAOYSA-N -1 3 391.204 2.605 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc(C)cs2)ccc1F ZINC000067861243 654946743 /nfs/dbraw/zinc/94/67/43/654946743.db2.gz MGIXVOXRIOQIOR-LLVKDONJSA-N -1 3 383.470 2.546 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Br)nc1 ZINC000134241583 654987868 /nfs/dbraw/zinc/98/78/68/654987868.db2.gz RBHQRHAOBRYBPB-UHFFFAOYSA-N -1 3 375.226 2.592 20 30 GFEDHM C=C(Br)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000185448605 655364527 /nfs/dbraw/zinc/36/45/27/655364527.db2.gz ORTZQDMCQRCGPN-UHFFFAOYSA-N -1 3 380.198 2.579 20 30 GFEDHM NC(=O)c1ccccc1N1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000732529453 655597521 /nfs/dbraw/zinc/59/75/21/655597521.db2.gz XCXYIIOAKOECSD-YYLUKMIBSA-N -1 3 388.265 2.951 20 30 GFEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCSC ZINC000744535284 655741591 /nfs/dbraw/zinc/74/15/91/655741591.db2.gz QVLHDLZRBAHVGN-CQSZACIVSA-N -1 3 384.523 2.580 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c(Cl)cc1Cl ZINC000755442930 655883457 /nfs/dbraw/zinc/88/34/57/655883457.db2.gz MSRCDAHGEMNUPE-SECBINFHSA-N -1 3 379.265 2.997 20 30 GFEDHM CCN(CC)S(=O)(=O)c1ccc(N=NCc2c([O-])cccc2Cl)nc1 ZINC000755562267 655885667 /nfs/dbraw/zinc/88/56/67/655885667.db2.gz FDJQITIXWASKKY-UHFFFAOYSA-N -1 3 382.873 2.917 20 30 GFEDHM COc1ccc(C=NNC(=S)NCC(F)(F)F)c(Br)c1[O-] ZINC000761013252 655996328 /nfs/dbraw/zinc/99/63/28/655996328.db2.gz RGCIXFFKSLNPGR-UHFFFAOYSA-N -1 3 386.193 2.524 20 30 GFEDHM Clc1cncc(N=NCc2c(Br)n[n-]c2Br)n1 ZINC000792962593 658336248 /nfs/dbraw/zinc/33/62/48/658336248.db2.gz MPEZCOZMIWGUSI-UHFFFAOYSA-N -1 3 380.431 2.824 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1ccc(Cl)cc1F ZINC000796086761 658887955 /nfs/dbraw/zinc/88/79/55/658887955.db2.gz LNNJVFGLQGNYPY-GFCCVEGCSA-N -1 3 376.240 2.827 20 30 GFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCSCC#N)ccc1F ZINC000805391247 659771310 /nfs/dbraw/zinc/77/13/10/659771310.db2.gz ZFHWEFXKEGWLME-UHFFFAOYSA-N -1 3 388.486 2.706 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(Cl)cc2C)ccc1F ZINC000813320963 660051240 /nfs/dbraw/zinc/05/12/40/660051240.db2.gz YIUNIBWPKSSKGR-UHFFFAOYSA-N -1 3 383.832 2.899 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(N2CCOC2=O)cc1 ZINC000845831292 661499380 /nfs/dbraw/zinc/49/93/80/661499380.db2.gz MWIVSBCJJLJKMN-LLVKDONJSA-N -1 3 377.447 2.616 20 30 GFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1cc(Br)ccc1=O ZINC000845838840 661499642 /nfs/dbraw/zinc/49/96/42/661499642.db2.gz PRYFWEXEHCSHAO-HNNXBMFYSA-N -1 3 399.244 2.621 20 30 GFEDHM N#CC(C(=O)Cn1cc(Br)ccc1=O)=C([O-])C1(c2ccccc2)CC1 ZINC000845838840 661499646 /nfs/dbraw/zinc/49/96/46/661499646.db2.gz PRYFWEXEHCSHAO-HNNXBMFYSA-N -1 3 399.244 2.621 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000861827593 662260025 /nfs/dbraw/zinc/26/00/25/662260025.db2.gz JTJBUGMJDOKXIK-MRVPVSSYSA-N -1 3 399.138 2.717 20 30 GFEDHM C#CC[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000862555490 662291431 /nfs/dbraw/zinc/29/14/31/662291431.db2.gz DOHRPSSYXXCAHZ-GFCCVEGCSA-N -1 3 389.304 2.534 20 30 GFEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000864346387 662367806 /nfs/dbraw/zinc/36/78/06/662367806.db2.gz VEKGCKYDIGRJSP-LYUVJKPTSA-N -1 3 390.281 2.870 20 30 GFEDHM COc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(Cl)cc1Br ZINC000880142080 662952630 /nfs/dbraw/zinc/95/26/30/662952630.db2.gz YMYBPDZKSNAJFI-SECBINFHSA-N -1 3 392.637 2.613 20 30 GFEDHM CCCCCCC[C@@H](C)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000918380417 664498612 /nfs/dbraw/zinc/49/86/12/664498612.db2.gz BEDNVOSKGZCANR-GFCCVEGCSA-N -1 3 388.306 2.824 20 30 GFEDHM CC[C@@H](NCc1c(I)cnn1C)c1cccc(C#N)c1[O-] ZINC000926814679 664696961 /nfs/dbraw/zinc/69/69/61/664696961.db2.gz WTZRLHOAMMYPRL-CYBMUJFWSA-N -1 3 396.232 2.843 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1 ZINC000041518870 551135716 /nfs/dbraw/zinc/13/57/16/551135716.db2.gz NLUWHDKKBDZNJO-FZMZJTMJSA-N -1 3 375.475 2.652 20 30 GFEDHM CCc1nc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cs1 ZINC000155202621 551493868 /nfs/dbraw/zinc/49/38/68/551493868.db2.gz YMJRHAJYIIRMLQ-UHFFFAOYSA-N -1 3 386.296 2.818 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000171536666 551657507 /nfs/dbraw/zinc/65/75/07/551657507.db2.gz KNMQIQFLGACZRW-UHFFFAOYSA-N -1 3 377.279 2.517 20 30 GFEDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000178518184 552172082 /nfs/dbraw/zinc/17/20/82/552172082.db2.gz OQGNFIJJAFUQPT-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000178947329 552180194 /nfs/dbraw/zinc/18/01/94/552180194.db2.gz TXHSBWDEOFSVPV-WMZOPIPTSA-N -1 3 375.881 2.935 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)c(Cl)c1 ZINC000180177103 552216241 /nfs/dbraw/zinc/21/62/41/552216241.db2.gz DXUQCALCJFJPFL-UHFFFAOYSA-N -1 3 378.837 2.851 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl ZINC000180788130 552235586 /nfs/dbraw/zinc/23/55/86/552235586.db2.gz SSFYXEQAOBVBDG-UHFFFAOYSA-N -1 3 395.231 2.642 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)c(Cl)c1 ZINC000183401731 552308463 /nfs/dbraw/zinc/30/84/63/552308463.db2.gz YTCFBMLZVCSIJK-OAHLLOKOSA-N -1 3 379.869 2.920 20 30 GFEDHM CCCNC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCC1 ZINC000183632635 552315221 /nfs/dbraw/zinc/31/52/21/552315221.db2.gz GTXHTADERYLOQO-UHFFFAOYSA-N -1 3 383.901 2.719 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000186371235 552386524 /nfs/dbraw/zinc/38/65/24/552386524.db2.gz XKFDUYUOZGTUBX-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM COc1cc(Br)ccc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000187826139 552425541 /nfs/dbraw/zinc/42/55/41/552425541.db2.gz MDZUMTBPWZEPAF-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM CCn1nccc1N1CCC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000190188556 552489771 /nfs/dbraw/zinc/48/97/71/552489771.db2.gz ASQRXEXWFYXWGG-HIPSJFSSSA-N -1 3 391.269 2.986 20 30 GFEDHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC2 ZINC000370105490 563233513 /nfs/dbraw/zinc/23/35/13/563233513.db2.gz OSZUQQCEIZQTJT-CYBMUJFWSA-N -1 3 378.885 2.825 20 30 GFEDHM COc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Br)c1 ZINC000427193009 563461913 /nfs/dbraw/zinc/46/19/13/563461913.db2.gz QAXRBJJDMZXUCE-UHFFFAOYSA-N -1 3 382.239 2.834 20 30 GFEDHM Cc1ccsc1-c1nc(=NC(=O)NC[C@@]2(N(C)C)CCSC2)s[n-]1 ZINC000329949423 563492208 /nfs/dbraw/zinc/49/22/08/563492208.db2.gz ZZTQTIAXNXITLI-HNNXBMFYSA-N -1 3 383.568 2.760 20 30 GFEDHM COc1ccc(Cl)cc1NC(=O)CC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435435643 563651416 /nfs/dbraw/zinc/65/14/16/563651416.db2.gz BLIYJNMTIBICII-UHFFFAOYSA-N -1 3 399.881 2.589 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CSC)C2)ccc1F ZINC000292420859 563786319 /nfs/dbraw/zinc/78/63/19/563786319.db2.gz VHEIUHNTZDJESP-CYBMUJFWSA-N -1 3 386.514 2.505 20 30 GFEDHM Cc1cc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)ccc1C#N ZINC000443879990 563814075 /nfs/dbraw/zinc/81/40/75/563814075.db2.gz STZVTQLWZZQPQG-UHFFFAOYSA-N -1 3 381.251 2.813 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000444216467 563824766 /nfs/dbraw/zinc/82/47/66/563824766.db2.gz CLAYOLONSRSTSV-HIFRSBDPSA-N -1 3 382.448 2.863 20 30 GFEDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416449943 563830190 /nfs/dbraw/zinc/83/01/90/563830190.db2.gz WTVCAZXVXBCILL-AWEZNQCLSA-N -1 3 389.315 2.642 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCN(Cc3cccs3)CC2)s1 ZINC000367187322 563835414 /nfs/dbraw/zinc/83/54/14/563835414.db2.gz OUZRMPXCTJATMZ-UHFFFAOYSA-N -1 3 381.548 2.872 20 30 GFEDHM CCC(CC)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC ZINC000416487095 563837358 /nfs/dbraw/zinc/83/73/58/563837358.db2.gz IBYRWDZZCHQODA-UHFFFAOYSA-N -1 3 375.288 2.804 20 30 GFEDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC ZINC000416485496 563837383 /nfs/dbraw/zinc/83/73/83/563837383.db2.gz BGWZTPQOAWNMRO-ZWNOBZJWSA-N -1 3 375.288 2.660 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000416490016 563838123 /nfs/dbraw/zinc/83/81/23/563838123.db2.gz TWRYOPXPNNBUFE-UHFFFAOYSA-N -1 3 396.266 2.666 20 30 GFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000447934198 563891174 /nfs/dbraw/zinc/89/11/74/563891174.db2.gz WREXCEQSJBESKT-UHFFFAOYSA-N -1 3 376.272 2.870 20 30 GFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000470816400 564178482 /nfs/dbraw/zinc/17/84/82/564178482.db2.gz IQOJZUYNANRBGF-UHFFFAOYSA-N -1 3 384.845 2.571 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CCSC2 ZINC000478071022 564394820 /nfs/dbraw/zinc/39/48/20/564394820.db2.gz KAAHRXDJYFUIMO-UHFFFAOYSA-N -1 3 382.507 2.687 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)OCCc2sccc21 ZINC000567969813 564398819 /nfs/dbraw/zinc/39/88/19/564398819.db2.gz UDAWKLHLZDEXSM-QGZVFWFLSA-N -1 3 380.466 2.666 20 30 GFEDHM C=CC[C@H](CC)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000545986964 564439170 /nfs/dbraw/zinc/43/91/70/564439170.db2.gz XSTTXYZFTFGUNJ-ZFWWWQNUSA-N -1 3 388.530 2.697 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(Br)c1 ZINC000518658967 564559439 /nfs/dbraw/zinc/55/94/39/564559439.db2.gz BJUQWMVQAIORRY-STQMWFEESA-N -1 3 378.251 2.550 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(Cc2ccccc2Br)CC1 ZINC000574108912 564668689 /nfs/dbraw/zinc/66/86/89/564668689.db2.gz QJEMYCWIEOXFCH-UHFFFAOYSA-N -1 3 392.278 2.769 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Br)cc1 ZINC000489285126 564734009 /nfs/dbraw/zinc/73/40/09/564734009.db2.gz GTGODKNFPWCXIW-CYBMUJFWSA-N -1 3 376.272 2.549 20 30 GFEDHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)s1 ZINC000462070865 564815419 /nfs/dbraw/zinc/81/54/19/564815419.db2.gz WZMNVTHYNZOXSW-UHFFFAOYSA-N -1 3 389.314 2.962 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H](O)C(F)(F)F ZINC000497983550 564883219 /nfs/dbraw/zinc/88/32/19/564883219.db2.gz MGOLISGZIXPIOU-VHSXEESVSA-N -1 3 383.285 2.825 20 30 GFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000464413422 564906721 /nfs/dbraw/zinc/90/67/21/564906721.db2.gz CURBYYLWMVPBKI-HNNXBMFYSA-N -1 3 387.299 2.991 20 30 GFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1Oc1ccccc1 ZINC000584210200 564925100 /nfs/dbraw/zinc/92/51/00/564925100.db2.gz VZTWWHPNXLUTOY-BFYDXBDKSA-N -1 3 378.475 2.523 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2ncc(Cl)cc2Cl)c(F)c1 ZINC000532375309 564936857 /nfs/dbraw/zinc/93/68/57/564936857.db2.gz DSCJEOGAPPQGEA-UHFFFAOYSA-N -1 3 389.239 2.790 20 30 GFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000501514993 564982138 /nfs/dbraw/zinc/98/21/38/564982138.db2.gz GNMUVDQKTKIXQH-NSHDSACASA-N -1 3 378.288 2.717 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000562551804 565033476 /nfs/dbraw/zinc/03/34/76/565033476.db2.gz OELLYZOOHVCVIM-OLZOCXBDSA-N -1 3 380.691 2.865 20 30 GFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000657148273 565077856 /nfs/dbraw/zinc/07/78/56/565077856.db2.gz BDSFCBQQZRUCAC-UHFFFAOYSA-N -1 3 385.283 2.868 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592384344 565274192 /nfs/dbraw/zinc/27/41/92/565274192.db2.gz SNVPEAQBZQMYEM-LBPRGKRZSA-N -1 3 386.779 2.836 20 30 GFEDHM CC[C@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593531980 565337552 /nfs/dbraw/zinc/33/75/52/565337552.db2.gz LFXOGRXYDPUWJZ-LBPRGKRZSA-N -1 3 377.491 2.627 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCOCC1 ZINC000593536239 565339559 /nfs/dbraw/zinc/33/95/59/565339559.db2.gz WFIWAPQRFOIWRF-UHFFFAOYSA-N -1 3 380.466 2.786 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000593570082 565342919 /nfs/dbraw/zinc/34/29/19/565342919.db2.gz TYNOYDVTGNKAHR-SNVBAGLBSA-N -1 3 385.873 2.969 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000593589719 565344773 /nfs/dbraw/zinc/34/47/73/565344773.db2.gz XHUGSYCQIJBZFW-JTQLQIEISA-N -1 3 381.445 2.561 20 30 GFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1Oc1ccccc1 ZINC000593585123 565345087 /nfs/dbraw/zinc/34/50/87/565345087.db2.gz QXIRQIQACWFSNM-VBQJREDUSA-N -1 3 378.475 2.523 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000593621226 565347559 /nfs/dbraw/zinc/34/75/59/565347559.db2.gz WDJQYLVZRSRXEP-UHFFFAOYSA-N -1 3 377.344 2.976 20 30 GFEDHM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594770168 565417668 /nfs/dbraw/zinc/41/76/68/565417668.db2.gz YYKGHUXMTHJBRH-GJZGRUSLSA-N -1 3 380.491 2.554 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)cc1F ZINC000594819493 565425171 /nfs/dbraw/zinc/42/51/71/565425171.db2.gz SVCKICYZLOVNFN-CQSZACIVSA-N -1 3 380.363 2.866 20 30 GFEDHM CNC(=O)CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCCC1 ZINC000595366821 565469295 /nfs/dbraw/zinc/46/92/95/565469295.db2.gz KBHFQVOAEFVYGN-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM CC1(C(=O)C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC1 ZINC000625548365 565637585 /nfs/dbraw/zinc/63/75/85/565637585.db2.gz CETGQELGDPIWBO-UHFFFAOYSA-N -1 3 385.283 2.748 20 30 GFEDHM Cn1cc(Br)c(=NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[n-]1 ZINC000603042272 565882802 /nfs/dbraw/zinc/88/28/02/565882802.db2.gz DUHWYZXOLMYSMB-UKRRQHHQSA-N -1 3 388.269 2.908 20 30 GFEDHM C[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCN1c1cccc(F)c1C#N ZINC000736293318 598831975 /nfs/dbraw/zinc/83/19/75/598831975.db2.gz NUHPMCQZWVMAQK-LBPRGKRZSA-N -1 3 381.390 2.732 20 30 GFEDHM C[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCN1c1cccc(F)c1C#N ZINC000736293318 598831977 /nfs/dbraw/zinc/83/19/77/598831977.db2.gz NUHPMCQZWVMAQK-LBPRGKRZSA-N -1 3 381.390 2.732 20 30 GFEDHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737546671 598922737 /nfs/dbraw/zinc/92/27/37/598922737.db2.gz FQUQUALBQJPQMI-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737546671 598922739 /nfs/dbraw/zinc/92/27/39/598922739.db2.gz FQUQUALBQJPQMI-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1-c1nnn[n-]1 ZINC000737718330 598928629 /nfs/dbraw/zinc/92/86/29/598928629.db2.gz HVCCXVPVHIDZTF-UHFFFAOYSA-N -1 3 396.414 2.665 20 30 GFEDHM N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1-c1nn[n-]n1 ZINC000737718330 598928630 /nfs/dbraw/zinc/92/86/30/598928630.db2.gz HVCCXVPVHIDZTF-UHFFFAOYSA-N -1 3 396.414 2.665 20 30 GFEDHM COC(=O)[C@@H](Sc1nc(C)cc(C)c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902412 599111656 /nfs/dbraw/zinc/11/16/56/599111656.db2.gz TXCDHBNMHZLLIY-HNNXBMFYSA-N -1 3 380.433 2.757 20 30 GFEDHM COC(=O)[C@@H](Sc1nc(C)cc(C)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902412 599111658 /nfs/dbraw/zinc/11/16/58/599111658.db2.gz TXCDHBNMHZLLIY-HNNXBMFYSA-N -1 3 380.433 2.757 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnn3ccccc23)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202985 599157337 /nfs/dbraw/zinc/15/73/37/599157337.db2.gz QIAATSHWLRCMDV-YFHOEESVSA-N -1 3 396.414 2.905 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000735420364 599183775 /nfs/dbraw/zinc/18/37/75/599183775.db2.gz PBCREGAFSHPESA-UHFFFAOYSA-N -1 3 378.392 2.912 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000735420364 599183778 /nfs/dbraw/zinc/18/37/78/599183778.db2.gz PBCREGAFSHPESA-UHFFFAOYSA-N -1 3 378.392 2.912 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)ccc1-c1nnn[n-]1 ZINC000737709691 599198207 /nfs/dbraw/zinc/19/82/07/599198207.db2.gz PUJVUUAWACKHSX-UHFFFAOYSA-N -1 3 378.154 2.832 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)ccc1-c1nn[n-]n1 ZINC000737709691 599198209 /nfs/dbraw/zinc/19/82/09/599198209.db2.gz PUJVUUAWACKHSX-UHFFFAOYSA-N -1 3 378.154 2.832 20 30 GFEDHM Cc1nc(SCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483276 599202775 /nfs/dbraw/zinc/20/27/75/599202775.db2.gz MYGZDMNECAWDPV-NSPYISDASA-N -1 3 399.524 2.868 20 30 GFEDHM Cc1nc(SCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483276 599202776 /nfs/dbraw/zinc/20/27/76/599202776.db2.gz MYGZDMNECAWDPV-NSPYISDASA-N -1 3 399.524 2.868 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737728740 599257927 /nfs/dbraw/zinc/25/79/27/599257927.db2.gz UWCXSRAWTCCIPL-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737728740 599257928 /nfs/dbraw/zinc/25/79/28/599257928.db2.gz UWCXSRAWTCCIPL-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(C(=O)OCCCCOC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822825902 607321331 /nfs/dbraw/zinc/32/13/31/607321331.db2.gz QRMOGUKUYLWSBZ-UHFFFAOYSA-N -1 3 391.387 2.532 20 30 GFEDHM N#Cc1ccc(C(=O)OCCCCOC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822825902 607321332 /nfs/dbraw/zinc/32/13/32/607321332.db2.gz QRMOGUKUYLWSBZ-UHFFFAOYSA-N -1 3 391.387 2.532 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000735380645 598432157 /nfs/dbraw/zinc/43/21/57/598432157.db2.gz KNSRZKJISSSBDK-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000735380645 598432158 /nfs/dbraw/zinc/43/21/58/598432158.db2.gz KNSRZKJISSSBDK-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM COC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821680442 607358460 /nfs/dbraw/zinc/35/84/60/607358460.db2.gz JKEBNNJQPXDSBP-FQEVSTJZSA-N -1 3 392.419 2.626 20 30 GFEDHM COC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821680442 607358462 /nfs/dbraw/zinc/35/84/62/607358462.db2.gz JKEBNNJQPXDSBP-FQEVSTJZSA-N -1 3 392.419 2.626 20 30 GFEDHM C#CCOc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735380263 598494384 /nfs/dbraw/zinc/49/43/84/598494384.db2.gz HUNFFGGNCLXYFW-IBGZPJMESA-N -1 3 391.431 2.921 20 30 GFEDHM C#CCOc1cccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735380263 598494385 /nfs/dbraw/zinc/49/43/85/598494385.db2.gz HUNFFGGNCLXYFW-IBGZPJMESA-N -1 3 391.431 2.921 20 30 GFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000737675716 598536793 /nfs/dbraw/zinc/53/67/93/598536793.db2.gz QVOBBMDCHVJTBF-CQSZACIVSA-N -1 3 388.309 2.760 20 30 GFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000737675716 598536795 /nfs/dbraw/zinc/53/67/95/598536795.db2.gz QVOBBMDCHVJTBF-CQSZACIVSA-N -1 3 388.309 2.760 20 30 GFEDHM N#Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737712813 598546014 /nfs/dbraw/zinc/54/60/14/598546014.db2.gz UTYUKCNTVUQRIK-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM N#Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737712813 598546015 /nfs/dbraw/zinc/54/60/15/598546015.db2.gz UTYUKCNTVUQRIK-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735735580 598584399 /nfs/dbraw/zinc/58/43/99/598584399.db2.gz NTTBVYRXHLOCIF-QGZVFWFLSA-N -1 3 380.383 2.920 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735735580 598584401 /nfs/dbraw/zinc/58/44/01/598584401.db2.gz NTTBVYRXHLOCIF-QGZVFWFLSA-N -1 3 380.383 2.920 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)c(C#N)c2)c(-c2nnn[n-]2)c(C)c1C ZINC000737485080 598587751 /nfs/dbraw/zinc/58/77/51/598587751.db2.gz ZGWWIVIMTRGBNR-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)c(C#N)c2)c(-c2nn[n-]n2)c(C)c1C ZINC000737485080 598587753 /nfs/dbraw/zinc/58/77/53/598587753.db2.gz ZGWWIVIMTRGBNR-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM COCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737011511 598640679 /nfs/dbraw/zinc/64/06/79/598640679.db2.gz VJGBZUOXQGEZJA-YFHOEESVSA-N -1 3 393.447 2.844 20 30 GFEDHM COCCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000737011511 598640681 /nfs/dbraw/zinc/64/06/81/598640681.db2.gz VJGBZUOXQGEZJA-YFHOEESVSA-N -1 3 393.447 2.844 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737396435 598690103 /nfs/dbraw/zinc/69/01/03/598690103.db2.gz PHWXWJKWVJPNMU-UHFFFAOYSA-N -1 3 375.436 2.842 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000735436914 598705715 /nfs/dbraw/zinc/70/57/15/598705715.db2.gz UDFIDZBTJJPMBE-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000735436914 598705716 /nfs/dbraw/zinc/70/57/16/598705716.db2.gz UDFIDZBTJJPMBE-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)cn1 ZINC000735390389 598735808 /nfs/dbraw/zinc/73/58/08/598735808.db2.gz YVIMOXKEQOKDTI-UHFFFAOYSA-N -1 3 397.398 2.991 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737710332 598756299 /nfs/dbraw/zinc/75/62/99/598756299.db2.gz UDYVILGMRHTLMN-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735507094 598781168 /nfs/dbraw/zinc/78/11/68/598781168.db2.gz ZFIHEDBTGULZGC-GFCCVEGCSA-N -1 3 378.396 2.677 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820160131 607398710 /nfs/dbraw/zinc/39/87/10/607398710.db2.gz HPPDJNBSTQQTLJ-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820160131 607398711 /nfs/dbraw/zinc/39/87/11/607398711.db2.gz HPPDJNBSTQQTLJ-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000819709598 607399484 /nfs/dbraw/zinc/39/94/84/607399484.db2.gz LHPXNXHDOOUTEO-UHFFFAOYSA-N -1 3 377.404 2.918 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000819709598 607399486 /nfs/dbraw/zinc/39/94/86/607399486.db2.gz LHPXNXHDOOUTEO-UHFFFAOYSA-N -1 3 377.404 2.918 20 30 GFEDHM Cc1cc(C#N)ccc1COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826256785 607445640 /nfs/dbraw/zinc/44/56/40/607445640.db2.gz AFHZTDKENZXULF-IBGZPJMESA-N -1 3 388.431 2.759 20 30 GFEDHM Cc1cc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000738331218 600567606 /nfs/dbraw/zinc/56/76/06/600567606.db2.gz VTICIZCHOWXCRC-LJQANCHMSA-N -1 3 381.432 2.788 20 30 GFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000833074397 601310708 /nfs/dbraw/zinc/31/07/08/601310708.db2.gz XESTUKICZHPJRO-IBGZPJMESA-N -1 3 381.407 2.717 20 30 GFEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826298834 607535628 /nfs/dbraw/zinc/53/56/28/607535628.db2.gz IIIDXOHCIURYOA-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826298834 607535629 /nfs/dbraw/zinc/53/56/29/607535629.db2.gz IIIDXOHCIURYOA-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3c(F)ccc(F)c32)cc1-c1nnn[n-]1 ZINC000826203392 607559266 /nfs/dbraw/zinc/55/92/66/607559266.db2.gz MDTHUOPGHJALKK-UHFFFAOYSA-N -1 3 393.357 2.607 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3c(F)ccc(F)c32)cc1-c1nn[n-]n1 ZINC000826203392 607559267 /nfs/dbraw/zinc/55/92/67/607559267.db2.gz MDTHUOPGHJALKK-UHFFFAOYSA-N -1 3 393.357 2.607 20 30 GFEDHM COc1ccc(COC(=O)c2cc3ccccc3n2CC#N)cc1-c1nnn[n-]1 ZINC000826205673 607605739 /nfs/dbraw/zinc/60/57/39/607605739.db2.gz HAPDWBKJIGYNLX-UHFFFAOYSA-N -1 3 388.387 2.711 20 30 GFEDHM COc1ccc(COC(=O)c2cc3ccccc3n2CC#N)cc1-c1nn[n-]n1 ZINC000826205673 607605741 /nfs/dbraw/zinc/60/57/41/607605741.db2.gz HAPDWBKJIGYNLX-UHFFFAOYSA-N -1 3 388.387 2.711 20 30 GFEDHM C=CCn1c(CCN2CCCCC2)nnc1SCC1CCN(C(=O)[O-])CC1 ZINC000823521896 603943157 /nfs/dbraw/zinc/94/31/57/603943157.db2.gz MJYGVYFAAKXPTJ-UHFFFAOYSA-N -1 3 393.557 2.975 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826383168 607672357 /nfs/dbraw/zinc/67/23/57/607672357.db2.gz NRCDRKVEGSDQJZ-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826383168 607672359 /nfs/dbraw/zinc/67/23/59/607672359.db2.gz NRCDRKVEGSDQJZ-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000829135368 604253115 /nfs/dbraw/zinc/25/31/15/604253115.db2.gz RSFGAUZFSWZESV-NSHDSACASA-N -1 3 393.827 2.885 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000826244208 607683255 /nfs/dbraw/zinc/68/32/55/607683255.db2.gz KLKJWQHMKJYGQM-UHFFFAOYSA-N -1 3 390.403 2.507 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000826244208 607683257 /nfs/dbraw/zinc/68/32/57/607683257.db2.gz KLKJWQHMKJYGQM-UHFFFAOYSA-N -1 3 390.403 2.507 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000826245516 607689545 /nfs/dbraw/zinc/68/95/45/607689545.db2.gz AIXQJBBBLRCBCK-HNNXBMFYSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000826245516 607689546 /nfs/dbraw/zinc/68/95/46/607689546.db2.gz AIXQJBBBLRCBCK-HNNXBMFYSA-N -1 3 397.236 2.932 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000820528205 606182722 /nfs/dbraw/zinc/18/27/22/606182722.db2.gz MQSSZQBZUCNHQQ-GOEBONIOSA-N -1 3 377.404 2.560 20 30 GFEDHM C=CCCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000819733949 606236547 /nfs/dbraw/zinc/23/65/47/606236547.db2.gz FWKWZTVEHSJYSF-SNVBAGLBSA-N -1 3 375.454 2.643 20 30 GFEDHM C=CCCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000819733949 606236548 /nfs/dbraw/zinc/23/65/48/606236548.db2.gz FWKWZTVEHSJYSF-SNVBAGLBSA-N -1 3 375.454 2.643 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822665164 606245321 /nfs/dbraw/zinc/24/53/21/606245321.db2.gz JTRGNPYLJSUNFO-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822665164 606245323 /nfs/dbraw/zinc/24/53/23/606245323.db2.gz JTRGNPYLJSUNFO-UHFFFAOYSA-N -1 3 399.414 2.908 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822801088 606301270 /nfs/dbraw/zinc/30/12/70/606301270.db2.gz DPKWMADSOJRXRM-IEBWSBKVSA-N -1 3 388.431 2.868 20 30 GFEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821337421 606388563 /nfs/dbraw/zinc/38/85/63/606388563.db2.gz GLNKWXQBOZAYSA-CSKARUKUSA-N -1 3 383.433 2.954 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821440946 606390285 /nfs/dbraw/zinc/39/02/85/606390285.db2.gz FFFQMGASJNSDTA-CLFYSBASSA-N -1 3 389.462 2.586 20 30 GFEDHM C#CCOc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819709934 606704138 /nfs/dbraw/zinc/70/41/38/606704138.db2.gz UIZBASNKKMEQOX-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM C#CCOc1cc(F)ccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819709934 606704140 /nfs/dbraw/zinc/70/41/40/606704140.db2.gz UIZBASNKKMEQOX-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM C=C(Br)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819718839 606900105 /nfs/dbraw/zinc/90/01/05/606900105.db2.gz SPACJIISIOVTJF-UHFFFAOYSA-N -1 3 377.120 2.951 20 30 GFEDHM C=C(Br)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819718839 606900106 /nfs/dbraw/zinc/90/01/06/606900106.db2.gz SPACJIISIOVTJF-UHFFFAOYSA-N -1 3 377.120 2.951 20 30 GFEDHM CC(C)(C#N)c1ccccc1COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819892120 607154615 /nfs/dbraw/zinc/15/46/15/607154615.db2.gz VKYZONZPVYDCBX-UHFFFAOYSA-N -1 3 377.404 2.790 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000823856122 607892849 /nfs/dbraw/zinc/89/28/49/607892849.db2.gz JTFGPSPSDNGNLB-UHFFFAOYSA-N -1 3 393.403 2.646 20 30 GFEDHM C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000823856122 607892850 /nfs/dbraw/zinc/89/28/50/607892850.db2.gz JTFGPSPSDNGNLB-UHFFFAOYSA-N -1 3 393.403 2.646 20 30 GFEDHM C#CCOCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000823850765 607894437 /nfs/dbraw/zinc/89/44/37/607894437.db2.gz SLGURNCDCKNCIQ-UHFFFAOYSA-N -1 3 393.422 2.887 20 30 GFEDHM C#CCOCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000823850765 607894438 /nfs/dbraw/zinc/89/44/38/607894438.db2.gz SLGURNCDCKNCIQ-UHFFFAOYSA-N -1 3 393.422 2.887 20 30 GFEDHM C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823838151 607937783 /nfs/dbraw/zinc/93/77/83/607937783.db2.gz KQASANDREMBRMA-MRXNPFEDSA-N -1 3 387.852 2.563 20 30 GFEDHM C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823838151 607937784 /nfs/dbraw/zinc/93/77/84/607937784.db2.gz KQASANDREMBRMA-MRXNPFEDSA-N -1 3 387.852 2.563 20 30 GFEDHM N#Cc1ccccc1NC(=S)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387156 608047705 /nfs/dbraw/zinc/04/77/05/608047705.db2.gz IWYOJANALXBZQM-KRWDZBQOSA-N -1 3 391.460 2.509 20 30 GFEDHM N#Cc1ccccc1NC(=S)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387156 608047706 /nfs/dbraw/zinc/04/77/06/608047706.db2.gz IWYOJANALXBZQM-KRWDZBQOSA-N -1 3 391.460 2.509 20 30 GFEDHM COC[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826147760 608146760 /nfs/dbraw/zinc/14/67/60/608146760.db2.gz LFTRXUWAXXMCCX-MRXNPFEDSA-N -1 3 379.376 2.663 20 30 GFEDHM COC[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826147760 608146761 /nfs/dbraw/zinc/14/67/61/608146761.db2.gz LFTRXUWAXXMCCX-MRXNPFEDSA-N -1 3 379.376 2.663 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1-c1nnn[n-]1 ZINC000826385773 608343275 /nfs/dbraw/zinc/34/32/75/608343275.db2.gz ZWBNCJSJFQMEAP-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)cn2)cc1-c1nn[n-]n1 ZINC000826385773 608343277 /nfs/dbraw/zinc/34/32/77/608343277.db2.gz ZWBNCJSJFQMEAP-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#CCn1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc2ccccc21 ZINC000826382359 608447133 /nfs/dbraw/zinc/44/71/33/608447133.db2.gz APHOLSRLDVDXJA-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM N#CCn1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc2ccccc21 ZINC000826382359 608447134 /nfs/dbraw/zinc/44/71/34/608447134.db2.gz APHOLSRLDVDXJA-UHFFFAOYSA-N -1 3 376.351 2.841 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000824103911 608535562 /nfs/dbraw/zinc/53/55/62/608535562.db2.gz LTQYUKAFFPOULQ-UHFFFAOYSA-N -1 3 392.851 2.714 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000824103911 608535563 /nfs/dbraw/zinc/53/55/63/608535563.db2.gz LTQYUKAFFPOULQ-UHFFFAOYSA-N -1 3 392.851 2.714 20 30 GFEDHM COc1ccc(CC(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC ZINC000826190663 608537390 /nfs/dbraw/zinc/53/73/90/608537390.db2.gz IORZUXFFLRLRQN-UHFFFAOYSA-N -1 3 387.831 2.963 20 30 GFEDHM COc1ccc(CC(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000826190663 608537391 /nfs/dbraw/zinc/53/73/91/608537391.db2.gz IORZUXFFLRLRQN-UHFFFAOYSA-N -1 3 387.831 2.963 20 30 GFEDHM N#Cc1ccc(OC2CCC(Nc3ncc(-c4nnn[n-]4)cc3Cl)CC2)nc1 ZINC000826386327 608558391 /nfs/dbraw/zinc/55/83/91/608558391.db2.gz ZOFAZLKPNKUARF-UHFFFAOYSA-N -1 3 396.842 2.984 20 30 GFEDHM N#Cc1ccc(OC2CCC(Nc3ncc(-c4nn[n-]n4)cc3Cl)CC2)nc1 ZINC000826386327 608558393 /nfs/dbraw/zinc/55/83/93/608558393.db2.gz ZOFAZLKPNKUARF-UHFFFAOYSA-N -1 3 396.842 2.984 20 30 GFEDHM C[C@@H](C#N)Oc1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824035195 608852905 /nfs/dbraw/zinc/85/29/05/608852905.db2.gz SZQIAGWBCWJGDE-YWZLYKJASA-N -1 3 390.447 2.731 20 30 GFEDHM C#CCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823841417 609134934 /nfs/dbraw/zinc/13/49/34/609134934.db2.gz MWYOCQNDPRYKMU-LBPRGKRZSA-N -1 3 389.843 2.974 20 30 GFEDHM C#CCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823841417 609134936 /nfs/dbraw/zinc/13/49/36/609134936.db2.gz MWYOCQNDPRYKMU-LBPRGKRZSA-N -1 3 389.843 2.974 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826380120 609141838 /nfs/dbraw/zinc/14/18/38/609141838.db2.gz NWWOSVHKJCOVJL-GOSISDBHSA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826380120 609141840 /nfs/dbraw/zinc/14/18/40/609141840.db2.gz NWWOSVHKJCOVJL-GOSISDBHSA-N -1 3 395.417 2.527 20 30 GFEDHM C#CC[C@H](OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccn1 ZINC000823837684 609143596 /nfs/dbraw/zinc/14/35/96/609143596.db2.gz FRFCUDCORXBSLZ-IBGZPJMESA-N -1 3 399.414 2.677 20 30 GFEDHM C#CC[C@H](OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccn1 ZINC000823837684 609143598 /nfs/dbraw/zinc/14/35/98/609143598.db2.gz FRFCUDCORXBSLZ-IBGZPJMESA-N -1 3 399.414 2.677 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824034034 609163614 /nfs/dbraw/zinc/16/36/14/609163614.db2.gz GFSVDFMGWMIUCP-CYBMUJFWSA-N -1 3 389.419 2.968 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824034034 609163615 /nfs/dbraw/zinc/16/36/15/609163615.db2.gz GFSVDFMGWMIUCP-CYBMUJFWSA-N -1 3 389.419 2.968 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826103403 609271609 /nfs/dbraw/zinc/27/16/09/609271609.db2.gz FZYMFUDKTZCKEJ-SBKJXLNCSA-N -1 3 396.378 2.842 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826103403 609271611 /nfs/dbraw/zinc/27/16/11/609271611.db2.gz FZYMFUDKTZCKEJ-SBKJXLNCSA-N -1 3 396.378 2.842 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(C(=O)OC)ccc1F ZINC000823914974 609294821 /nfs/dbraw/zinc/29/48/21/609294821.db2.gz QINCRLFEROUJQV-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(C(=O)OC)ccc1F ZINC000823914974 609294823 /nfs/dbraw/zinc/29/48/23/609294823.db2.gz QINCRLFEROUJQV-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc(Br)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234162 609309322 /nfs/dbraw/zinc/30/93/22/609309322.db2.gz KFOYVCYPIJKFJN-FPLPWBNLSA-N -1 3 399.252 2.976 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc(Br)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234162 609309324 /nfs/dbraw/zinc/30/93/24/609309324.db2.gz KFOYVCYPIJKFJN-FPLPWBNLSA-N -1 3 399.252 2.976 20 30 GFEDHM N#Cc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826387676 609345480 /nfs/dbraw/zinc/34/54/80/609345480.db2.gz KHNLZNPGJNBGCI-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM N#Cc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826387676 609345482 /nfs/dbraw/zinc/34/54/82/609345482.db2.gz KHNLZNPGJNBGCI-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000823958788 609473140 /nfs/dbraw/zinc/47/31/40/609473140.db2.gz WTKVLQHKFNUIPH-UHFFFAOYSA-N -1 3 379.815 2.937 20 30 GFEDHM Cn1cc(C=NNc2ccc3n[nH]cc3c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360232 609522551 /nfs/dbraw/zinc/52/25/51/609522551.db2.gz CEQDIRFDFBJRRO-UHFFFAOYSA-N -1 3 384.407 2.590 20 30 GFEDHM Cn1cc(C=NNc2ccc3n[nH]cc3c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360232 609522554 /nfs/dbraw/zinc/52/25/54/609522554.db2.gz CEQDIRFDFBJRRO-UHFFFAOYSA-N -1 3 384.407 2.590 20 30 GFEDHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826257526 609537034 /nfs/dbraw/zinc/53/70/34/609537034.db2.gz GMHVTMKIZVNYIQ-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826257526 609537035 /nfs/dbraw/zinc/53/70/35/609537035.db2.gz GMHVTMKIZVNYIQ-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826260215 609552066 /nfs/dbraw/zinc/55/20/66/609552066.db2.gz BFZAKHHZPSMSQX-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)nn1-c1cccc(C#N)c1 ZINC000826260215 609552068 /nfs/dbraw/zinc/55/20/68/609552068.db2.gz BFZAKHHZPSMSQX-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1C#N ZINC000826238447 609582853 /nfs/dbraw/zinc/58/28/53/609582853.db2.gz GJABHJRIYMAZTB-MRXNPFEDSA-N -1 3 381.827 2.673 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1C#N ZINC000826238447 609582854 /nfs/dbraw/zinc/58/28/54/609582854.db2.gz GJABHJRIYMAZTB-MRXNPFEDSA-N -1 3 381.827 2.673 20 30 GFEDHM CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380486 609588663 /nfs/dbraw/zinc/58/86/63/609588663.db2.gz PDBJLKMZZISWDJ-UHFFFAOYSA-N -1 3 398.430 2.899 20 30 GFEDHM CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380486 609588664 /nfs/dbraw/zinc/58/86/64/609588664.db2.gz PDBJLKMZZISWDJ-UHFFFAOYSA-N -1 3 398.430 2.899 20 30 GFEDHM C=CCOCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823925221 609607784 /nfs/dbraw/zinc/60/77/84/609607784.db2.gz GFOSPALGCCFAAY-UHFFFAOYSA-N -1 3 379.420 2.900 20 30 GFEDHM C=CCOCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823925221 609607786 /nfs/dbraw/zinc/60/77/86/609607786.db2.gz GFOSPALGCCFAAY-UHFFFAOYSA-N -1 3 379.420 2.900 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000824035465 609624858 /nfs/dbraw/zinc/62/48/58/609624858.db2.gz YORWPZTVTMJJGV-GFCCVEGCSA-N -1 3 380.433 2.888 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000824035465 609624859 /nfs/dbraw/zinc/62/48/59/609624859.db2.gz YORWPZTVTMJJGV-GFCCVEGCSA-N -1 3 380.433 2.888 20 30 GFEDHM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000822766712 660354038 /nfs/dbraw/zinc/35/40/38/660354038.db2.gz NRBHIAOLPLLWIV-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000822766712 660354040 /nfs/dbraw/zinc/35/40/40/660354040.db2.gz NRBHIAOLPLLWIV-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM C=C(Cl)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823882649 660382420 /nfs/dbraw/zinc/38/24/20/660382420.db2.gz AYURCIMAMLVFRH-UHFFFAOYSA-N -1 3 379.211 2.580 20 30 GFEDHM C=C(Cl)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823882649 660382421 /nfs/dbraw/zinc/38/24/21/660382421.db2.gz AYURCIMAMLVFRH-UHFFFAOYSA-N -1 3 379.211 2.580 20 30 GFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000832130342 660756640 /nfs/dbraw/zinc/75/66/40/660756640.db2.gz RTNIJLRVALSZIO-UHFFFAOYSA-N -1 3 380.235 2.619 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000832348438 660774422 /nfs/dbraw/zinc/77/44/22/660774422.db2.gz MPXKDIHNELRMJT-NEPJUHHUSA-N -1 3 394.262 2.609 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c(Cl)cc1Cl ZINC000121820440 654724315 /nfs/dbraw/zinc/72/43/15/654724315.db2.gz HKCHJVZKLFFMJT-LBPRGKRZSA-N -1 3 379.265 2.997 20 30 GFEDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000329150049 655387528 /nfs/dbraw/zinc/38/75/28/655387528.db2.gz ZGKPSTILYMSHAK-MRVPVSSYSA-N -1 3 375.376 2.987 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]Cc1cccc(C#N)c1 ZINC000730766363 655577754 /nfs/dbraw/zinc/57/77/54/655577754.db2.gz NUDSFJNWXKYQKP-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM C[C@@H](CC(=O)OCc1ccc(Cl)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744072650 655734787 /nfs/dbraw/zinc/73/47/87/655734787.db2.gz UGZUJLRSJXAYAK-JTQLQIEISA-N -1 3 398.893 2.962 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2scnc2C2CC2)ccc1F ZINC000762703035 656056442 /nfs/dbraw/zinc/05/64/42/656056442.db2.gz PWFKPYNYNDXPRE-UHFFFAOYSA-N -1 3 381.454 2.876 20 30 GFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000770378404 656317627 /nfs/dbraw/zinc/31/76/27/656317627.db2.gz BMOWEDGJLBZMQF-QMMMGPOBSA-N -1 3 394.674 2.579 20 30 GFEDHM C#C[C@H](CCC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000791740494 658169795 /nfs/dbraw/zinc/16/97/95/658169795.db2.gz GBYGEOHHLRNJOS-LLVKDONJSA-N -1 3 394.212 2.664 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(F)cc(F)cc2Br)s1 ZINC000797816157 659053378 /nfs/dbraw/zinc/05/33/78/659053378.db2.gz IRDOMFYIKUAXOI-UHFFFAOYSA-N -1 3 394.222 2.966 20 30 GFEDHM C=C(C)CS(=O)(=O)[N-]C[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000797826467 659056762 /nfs/dbraw/zinc/05/67/62/659056762.db2.gz ALNXFPGMKNIWDX-LBPRGKRZSA-N -1 3 391.333 2.951 20 30 GFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1COc2ccc(Br)cc21 ZINC000814815739 660096634 /nfs/dbraw/zinc/09/66/34/660096634.db2.gz BVRKPXKAUYVSJP-UHFFFAOYSA-N -1 3 381.251 2.665 20 30 GFEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846546871 661556109 /nfs/dbraw/zinc/55/61/09/661556109.db2.gz ZOCUOGPTSRXJEE-NOZJJQNGSA-N -1 3 386.235 2.821 20 30 GFEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000864346385 662367872 /nfs/dbraw/zinc/36/78/72/662367872.db2.gz VEKGCKYDIGRJSP-GVLJNOETSA-N -1 3 390.281 2.870 20 30 GFEDHM N#Cc1cc(F)c(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1Br ZINC000897347361 663602037 /nfs/dbraw/zinc/60/20/37/663602037.db2.gz KYOVXBKVFFVGIY-JTQLQIEISA-N -1 3 378.205 2.646 20 30 GFEDHM COc1cc(C=NN2C(=S)N=NC2[C@H]2CCCO2)cc(Br)c1[O-] ZINC000916367814 664458158 /nfs/dbraw/zinc/45/81/58/664458158.db2.gz PTLQGFHVMIGTIQ-SNVBAGLBSA-N -1 3 399.270 2.777 20 30 GFEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(SCC(=O)OCC)s2)s1 ZINC000474046074 531266056 /nfs/dbraw/zinc/26/60/56/531266056.db2.gz RZNCCARURKHGIC-UHFFFAOYSA-N -1 3 385.496 2.500 20 30 GFEDHM CCc1nnc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C#N)c1CC ZINC000128720579 551351546 /nfs/dbraw/zinc/35/15/46/551351546.db2.gz KMKOYAQCKDAXKU-UHFFFAOYSA-N -1 3 399.929 2.578 20 30 GFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135495356 551388117 /nfs/dbraw/zinc/38/81/17/551388117.db2.gz FEXWCGFGHIMHIR-UHFFFAOYSA-N -1 3 378.491 2.564 20 30 GFEDHM COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180036498 552210161 /nfs/dbraw/zinc/21/01/61/552210161.db2.gz UYHPNZMHLQTNDS-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM COc1ccc(COCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000180139308 552214495 /nfs/dbraw/zinc/21/44/95/552214495.db2.gz CXJKAURSDZIFFC-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM C#C[C@@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)C(C)C ZINC000281248822 563371078 /nfs/dbraw/zinc/37/10/78/563371078.db2.gz CTKKPZBDQLMFAP-CYBMUJFWSA-N -1 3 394.212 2.933 20 30 GFEDHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC2 ZINC000370106746 563232996 /nfs/dbraw/zinc/23/29/96/563232996.db2.gz ZYISXFGPVFQQOB-AWEZNQCLSA-N -1 3 378.885 2.825 20 30 GFEDHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC2 ZINC000370105491 563233352 /nfs/dbraw/zinc/23/33/52/563233352.db2.gz OSZUQQCEIZQTJT-ZDUSSCGKSA-N -1 3 378.885 2.825 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000425179584 563407996 /nfs/dbraw/zinc/40/79/96/563407996.db2.gz QBZADWMOGUKVJL-YDHLFZDLSA-N -1 3 389.901 2.623 20 30 GFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000425188015 563409224 /nfs/dbraw/zinc/40/92/24/563409224.db2.gz HRXZSXMZOOGBJQ-GXFFZTMASA-N -1 3 380.267 2.968 20 30 GFEDHM CN1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccc(Cl)c1 ZINC000376273840 563436034 /nfs/dbraw/zinc/43/60/34/563436034.db2.gz MILCHHUKJNUZNA-DYVFJYSZSA-N -1 3 379.869 2.776 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)s1 ZINC000426151623 563445157 /nfs/dbraw/zinc/44/51/57/563445157.db2.gz DRUWFIDLNTZVFQ-UHFFFAOYSA-N -1 3 384.870 2.503 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)s1 ZINC000435437053 563651180 /nfs/dbraw/zinc/65/11/80/563651180.db2.gz IRPMSUBPKWYOPO-UHFFFAOYSA-N -1 3 375.475 2.837 20 30 GFEDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435447965 563652037 /nfs/dbraw/zinc/65/20/37/563652037.db2.gz RZFVZXZJOFZXLB-HNNXBMFYSA-N -1 3 378.475 2.981 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000435585797 563653547 /nfs/dbraw/zinc/65/35/47/563653547.db2.gz UZOLNIHSQNPOIL-IINYFYTJSA-N -1 3 378.263 2.848 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(Cc3cscn3)CC2)c1 ZINC000364906863 563767624 /nfs/dbraw/zinc/76/76/24/563767624.db2.gz MJIUDGSZBWCVJY-UHFFFAOYSA-N -1 3 396.925 2.611 20 30 GFEDHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(C#N)c1 ZINC000442119560 563768444 /nfs/dbraw/zinc/76/84/44/563768444.db2.gz OLCLGQHTSWICPH-LBPRGKRZSA-N -1 3 381.860 2.980 20 30 GFEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCCCCC1 ZINC000368009028 563861209 /nfs/dbraw/zinc/86/12/09/563861209.db2.gz LSQVREVAIQBGBZ-UHFFFAOYSA-N -1 3 392.449 2.578 20 30 GFEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472254636 564218449 /nfs/dbraw/zinc/21/84/49/564218449.db2.gz FPWYCOLOEGYAPH-GFCCVEGCSA-N -1 3 377.388 2.745 20 30 GFEDHM COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000507884731 564245788 /nfs/dbraw/zinc/24/57/88/564245788.db2.gz AIQUKEBIUAGHQH-CQSZACIVSA-N -1 3 378.837 2.910 20 30 GFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000451237781 564290521 /nfs/dbraw/zinc/29/05/21/564290521.db2.gz BSJLUVDNXQLSAC-CQSZACIVSA-N -1 3 383.901 2.695 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000567179663 564361295 /nfs/dbraw/zinc/36/12/95/564361295.db2.gz OKBVCPRGGJCFCL-GFCCVEGCSA-N -1 3 379.251 2.813 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451909767 564365551 /nfs/dbraw/zinc/36/55/51/564365551.db2.gz LVYWFALFHPWWAL-NEPJUHHUSA-N -1 3 380.344 2.626 20 30 GFEDHM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000511380468 564370996 /nfs/dbraw/zinc/37/09/96/564370996.db2.gz SENRHXXFCVSCKK-UHFFFAOYSA-N -1 3 387.795 2.686 20 30 GFEDHM C=CC1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000568852608 564438342 /nfs/dbraw/zinc/43/83/42/564438342.db2.gz OCCSESMLNFJRDB-UHFFFAOYSA-N -1 3 377.293 2.696 20 30 GFEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)c2nccn21 ZINC000571057991 564534605 /nfs/dbraw/zinc/53/46/05/564534605.db2.gz UEURHSXEXYBZHU-BXKDBHETSA-N -1 3 381.255 2.502 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000550829358 564632682 /nfs/dbraw/zinc/63/26/82/564632682.db2.gz VVYURUSRJQPJJG-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM C=CCSc1ccccc1C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000486114861 564639807 /nfs/dbraw/zinc/63/98/07/564639807.db2.gz JWNTZGABGDIEHI-UHFFFAOYSA-N -1 3 382.532 2.864 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489805960 564753721 /nfs/dbraw/zinc/75/37/21/564753721.db2.gz IGHOZNSRFSJNFW-QMTHXVAHSA-N -1 3 383.363 2.984 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cc(C(F)(F)F)on1 ZINC000490475643 564773248 /nfs/dbraw/zinc/77/32/48/564773248.db2.gz JDHOSVQIDXCJKU-UHFFFAOYSA-N -1 3 377.319 2.918 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1cncc(Br)c1)C1CC1 ZINC000556353846 564820628 /nfs/dbraw/zinc/82/06/28/564820628.db2.gz DGUPUPUBCJWGRK-OAHLLOKOSA-N -1 3 393.266 2.540 20 30 GFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494347873 564825775 /nfs/dbraw/zinc/82/57/75/564825775.db2.gz JTJWVLHSPHVURO-CYBMUJFWSA-N -1 3 390.259 2.964 20 30 GFEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529424991 564834920 /nfs/dbraw/zinc/83/49/20/564834920.db2.gz IVFYAQUCUXTCMT-OLZOCXBDSA-N -1 3 375.252 2.549 20 30 GFEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529424988 564834952 /nfs/dbraw/zinc/83/49/52/564834952.db2.gz IVFYAQUCUXTCMT-CHWSQXEVSA-N -1 3 375.252 2.549 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2cccc(Br)c2)cc1 ZINC000557853799 564882468 /nfs/dbraw/zinc/88/24/68/564882468.db2.gz LSDWFNLFEAINGB-UHFFFAOYSA-N -1 3 393.262 2.623 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CSCCN2Cc2ccccc2)s1 ZINC000584151038 564923186 /nfs/dbraw/zinc/92/31/86/564923186.db2.gz ZXPFQKOZLGKMDN-OAHLLOKOSA-N -1 3 393.559 2.516 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000584308875 564929421 /nfs/dbraw/zinc/92/94/21/564929421.db2.gz CLFXUWMMJZCMTN-UHFFFAOYSA-N -1 3 399.310 2.542 20 30 GFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000657151162 565078933 /nfs/dbraw/zinc/07/89/33/565078933.db2.gz SXHWSTIRQONNPL-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM CSc1nnc(CCC[N-]S(=O)(=O)c2ccsc2C#N)n1CC(C)C ZINC000593525378 565338179 /nfs/dbraw/zinc/33/81/79/565338179.db2.gz CYABULYYZWJLNH-UHFFFAOYSA-N -1 3 399.567 2.500 20 30 GFEDHM Cc1cnc(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)c(C)c1 ZINC000594474644 565392310 /nfs/dbraw/zinc/39/23/10/565392310.db2.gz MHYJDUXGNZDSDA-UHFFFAOYSA-N -1 3 394.294 2.854 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594483344 565394948 /nfs/dbraw/zinc/39/49/48/565394948.db2.gz AOGLXMMMIRSZBM-GDBMZVCRSA-N -1 3 399.310 2.947 20 30 GFEDHM COC(=O)CC1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCC1 ZINC000594763661 565417143 /nfs/dbraw/zinc/41/71/43/565417143.db2.gz WPYMTKLGAVIORI-UHFFFAOYSA-N -1 3 378.475 2.846 20 30 GFEDHM C=CCCSCCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000597974208 565586009 /nfs/dbraw/zinc/58/60/09/565586009.db2.gz DUZYONLHNNZHEC-INIZCTEOSA-N -1 3 388.530 2.554 20 30 GFEDHM C=CC(C)(C)CCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000628318376 565783251 /nfs/dbraw/zinc/78/32/51/565783251.db2.gz BNJUTZMITGLIPI-UHFFFAOYSA-N -1 3 378.416 2.702 20 30 GFEDHM N#CC1([N-]S(=O)(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000601962889 565810161 /nfs/dbraw/zinc/81/01/61/565810161.db2.gz QHWSVODQQAASFM-UHFFFAOYSA-N -1 3 380.061 2.546 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000679477274 566043921 /nfs/dbraw/zinc/04/39/21/566043921.db2.gz PJUDWFQMECCEQJ-UHFFFAOYSA-N -1 3 388.205 2.949 20 30 GFEDHM C=C(C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)c1ccccc1 ZINC000656988418 566199973 /nfs/dbraw/zinc/19/99/73/566199973.db2.gz PCFHWJCSPGKLGR-UHFFFAOYSA-N -1 3 376.503 2.644 20 30 GFEDHM N#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000737676384 598826030 /nfs/dbraw/zinc/82/60/30/598826030.db2.gz VZLYJEJLURZUCY-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000737676384 598826031 /nfs/dbraw/zinc/82/60/31/598826031.db2.gz VZLYJEJLURZUCY-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1OC ZINC000736310490 598830131 /nfs/dbraw/zinc/83/01/31/598830131.db2.gz ZNXXWKZXJQOQFO-CQSZACIVSA-N -1 3 394.439 2.575 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1OC ZINC000736310490 598830132 /nfs/dbraw/zinc/83/01/32/598830132.db2.gz ZNXXWKZXJQOQFO-CQSZACIVSA-N -1 3 394.439 2.575 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736039451 598887996 /nfs/dbraw/zinc/88/79/96/598887996.db2.gz JMMBOMMCPRETAT-CFYYFVFUSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736039451 598887998 /nfs/dbraw/zinc/88/79/98/598887998.db2.gz JMMBOMMCPRETAT-CFYYFVFUSA-N -1 3 375.388 2.762 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(F)cc(Br)c2)ccc1-c1nnn[n-]1 ZINC000737710690 598920322 /nfs/dbraw/zinc/92/03/22/598920322.db2.gz ZUADKLJEENNLFS-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(F)cc(Br)c2)ccc1-c1nn[n-]n1 ZINC000737710690 598920324 /nfs/dbraw/zinc/92/03/24/598920324.db2.gz ZUADKLJEENNLFS-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)CCCOc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000737715536 598927363 /nfs/dbraw/zinc/92/73/63/598927363.db2.gz AINXWFIDPJWVNE-UHFFFAOYSA-N -1 3 384.346 2.814 20 30 GFEDHM N#Cc1ccc(NC(=O)CCCOc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000737715536 598927366 /nfs/dbraw/zinc/92/73/66/598927366.db2.gz AINXWFIDPJWVNE-UHFFFAOYSA-N -1 3 384.346 2.814 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1-c1nnn[n-]1 ZINC000737718645 598928442 /nfs/dbraw/zinc/92/84/42/598928442.db2.gz LELNMWGLTUHICY-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1-c1nn[n-]n1 ZINC000737718645 598928443 /nfs/dbraw/zinc/92/84/43/598928443.db2.gz LELNMWGLTUHICY-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735502001 598932213 /nfs/dbraw/zinc/93/22/13/598932213.db2.gz BHBLUQJSZVZPBD-AWEZNQCLSA-N -1 3 376.420 2.677 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735502001 598932214 /nfs/dbraw/zinc/93/22/14/598932214.db2.gz BHBLUQJSZVZPBD-AWEZNQCLSA-N -1 3 376.420 2.677 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000737717721 599003280 /nfs/dbraw/zinc/00/32/80/599003280.db2.gz AGPQICUHANJDTE-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc2c1OCCO2 ZINC000821712057 599113308 /nfs/dbraw/zinc/11/33/08/599113308.db2.gz CCDNAZOCDJSASB-ZSOIEALJSA-N -1 3 390.399 2.859 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc2c1OCCO2 ZINC000821712057 599113309 /nfs/dbraw/zinc/11/33/09/599113309.db2.gz CCDNAZOCDJSASB-ZSOIEALJSA-N -1 3 390.399 2.859 20 30 GFEDHM COc1ccc(C=C2COc3c(OC)cc(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737083454 599155855 /nfs/dbraw/zinc/15/58/55/599155855.db2.gz ORDBJUOJNDKMOJ-JYRVWZFOSA-N -1 3 378.388 2.851 20 30 GFEDHM COc1ccc(C=C2COc3c(OC)cc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737083454 599155858 /nfs/dbraw/zinc/15/58/58/599155858.db2.gz ORDBJUOJNDKMOJ-JYRVWZFOSA-N -1 3 378.388 2.851 20 30 GFEDHM CC(C)COc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735837563 599197041 /nfs/dbraw/zinc/19/70/41/599197041.db2.gz JQIUXJWIDWGRKL-UHFFFAOYSA-N -1 3 376.420 2.954 20 30 GFEDHM CC(C)COc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735837563 599197043 /nfs/dbraw/zinc/19/70/43/599197043.db2.gz JQIUXJWIDWGRKL-UHFFFAOYSA-N -1 3 376.420 2.954 20 30 GFEDHM COCCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736988238 599203960 /nfs/dbraw/zinc/20/39/60/599203960.db2.gz IYOJRUPJNNLUMK-UHFFFAOYSA-N -1 3 394.460 2.510 20 30 GFEDHM COCCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736988238 599203961 /nfs/dbraw/zinc/20/39/61/599203961.db2.gz IYOJRUPJNNLUMK-UHFFFAOYSA-N -1 3 394.460 2.510 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737794968 599220787 /nfs/dbraw/zinc/22/07/87/599220787.db2.gz HJPINYCBVVKJJL-KMKOMSMNSA-N -1 3 390.371 2.759 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737794968 599220790 /nfs/dbraw/zinc/22/07/90/599220790.db2.gz HJPINYCBVVKJJL-KMKOMSMNSA-N -1 3 390.371 2.759 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821109784 607262642 /nfs/dbraw/zinc/26/26/42/607262642.db2.gz OVXQNGNEEVUWOU-UHFFFAOYSA-N -1 3 381.827 2.839 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821109784 607262643 /nfs/dbraw/zinc/26/26/43/607262643.db2.gz OVXQNGNEEVUWOU-UHFFFAOYSA-N -1 3 381.827 2.839 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#Cc1ccc(F)cc1 ZINC000820001504 607351903 /nfs/dbraw/zinc/35/19/03/607351903.db2.gz PSTCKAZHQXMKKX-UHFFFAOYSA-N -1 3 380.379 2.758 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccc(F)cc1 ZINC000820001504 607351904 /nfs/dbraw/zinc/35/19/04/607351904.db2.gz PSTCKAZHQXMKKX-UHFFFAOYSA-N -1 3 380.379 2.758 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000736171516 598382237 /nfs/dbraw/zinc/38/22/37/598382237.db2.gz WUEJDCYDWVDMFU-BZNIZROVSA-N -1 3 382.811 2.668 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735387949 598417668 /nfs/dbraw/zinc/41/76/68/598417668.db2.gz MCVSTINTOLRLHL-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735912822 598439199 /nfs/dbraw/zinc/43/91/99/598439199.db2.gz IGKRFUHSMAOSKU-UHFFFAOYSA-N -1 3 381.465 2.974 20 30 GFEDHM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735912822 598439200 /nfs/dbraw/zinc/43/92/00/598439200.db2.gz IGKRFUHSMAOSKU-UHFFFAOYSA-N -1 3 381.465 2.974 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735418101 598567989 /nfs/dbraw/zinc/56/79/89/598567989.db2.gz AGHPRXRCNVHSEP-UHFFFAOYSA-N -1 3 382.355 2.742 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735418101 598567990 /nfs/dbraw/zinc/56/79/90/598567990.db2.gz AGHPRXRCNVHSEP-UHFFFAOYSA-N -1 3 382.355 2.742 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737717125 598574953 /nfs/dbraw/zinc/57/49/53/598574953.db2.gz YZJFZVAPASUMPR-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM Cc1cc(C(=O)N2CCC(C#N)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234537 598611775 /nfs/dbraw/zinc/61/17/75/598611775.db2.gz NCKZQHVAEFNRCH-UHFFFAOYSA-N -1 3 375.436 2.650 20 30 GFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000735904812 598654126 /nfs/dbraw/zinc/65/41/26/598654126.db2.gz BZCHNCABJJCFKD-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000735904812 598654127 /nfs/dbraw/zinc/65/41/27/598654127.db2.gz BZCHNCABJJCFKD-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000735389649 598659719 /nfs/dbraw/zinc/65/97/19/598659719.db2.gz FBDUUADGMXKXNX-UHFFFAOYSA-N -1 3 391.431 2.679 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000735389649 598659721 /nfs/dbraw/zinc/65/97/21/598659721.db2.gz FBDUUADGMXKXNX-UHFFFAOYSA-N -1 3 391.431 2.679 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737546272 598706533 /nfs/dbraw/zinc/70/65/33/598706533.db2.gz CRXCHUJQGYSPIJ-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737546272 598706535 /nfs/dbraw/zinc/70/65/35/598706535.db2.gz CRXCHUJQGYSPIJ-UHFFFAOYSA-N -1 3 392.350 2.927 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735436142 598716541 /nfs/dbraw/zinc/71/65/41/598716541.db2.gz GPKBGUONBDCTSV-UHFFFAOYSA-N -1 3 378.436 2.773 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735436142 598716543 /nfs/dbraw/zinc/71/65/43/598716543.db2.gz GPKBGUONBDCTSV-UHFFFAOYSA-N -1 3 378.436 2.773 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737727787 598745211 /nfs/dbraw/zinc/74/52/11/598745211.db2.gz ALRJPXKLSMOWEO-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737727787 598745213 /nfs/dbraw/zinc/74/52/13/598745213.db2.gz ALRJPXKLSMOWEO-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM N#CCCCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737688406 598749051 /nfs/dbraw/zinc/74/90/51/598749051.db2.gz TVWNJBHZPHBNNY-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM N#CCCCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737688406 598749053 /nfs/dbraw/zinc/74/90/53/598749053.db2.gz TVWNJBHZPHBNNY-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM Cc1oc(NC(=O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c(C#N)c1C ZINC000822547771 607366146 /nfs/dbraw/zinc/36/61/46/607366146.db2.gz CSHAWNSIXXGVPQ-UHFFFAOYSA-N -1 3 393.451 2.797 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736663415 598802102 /nfs/dbraw/zinc/80/21/02/598802102.db2.gz DWOZAGSAPFNWKS-WDZFZDKYSA-N -1 3 383.433 2.524 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737727209 598807875 /nfs/dbraw/zinc/80/78/75/598807875.db2.gz GUNYFQAEYQAYEP-YFHOEESVSA-N -1 3 382.387 2.576 20 30 GFEDHM N#Cc1ccc2ncc(C=NNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)n2c1 ZINC000737723541 599459411 /nfs/dbraw/zinc/45/94/11/599459411.db2.gz WAPOJLPKVVUZBG-UHFFFAOYSA-N -1 3 397.324 2.851 20 30 GFEDHM N#Cc1ccc2ncc(C=NNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)n2c1 ZINC000737723541 599459413 /nfs/dbraw/zinc/45/94/13/599459413.db2.gz WAPOJLPKVVUZBG-UHFFFAOYSA-N -1 3 397.324 2.851 20 30 GFEDHM Clc1nc2ccccn2c1C=NOCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737585098 599475967 /nfs/dbraw/zinc/47/59/67/599475967.db2.gz YKHFCKAEWFOISN-UHFFFAOYSA-N -1 3 383.799 2.597 20 30 GFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000823937481 607387304 /nfs/dbraw/zinc/38/73/04/607387304.db2.gz ZRWQXMRVPWOZBO-UHFFFAOYSA-N -1 3 379.420 2.819 20 30 GFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000823937481 607387306 /nfs/dbraw/zinc/38/73/06/607387306.db2.gz ZRWQXMRVPWOZBO-UHFFFAOYSA-N -1 3 379.420 2.819 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825632454 607392769 /nfs/dbraw/zinc/39/27/69/607392769.db2.gz SLOSDQOOXHKPIW-UHFFFAOYSA-N -1 3 389.419 2.948 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825632454 607392771 /nfs/dbraw/zinc/39/27/71/607392771.db2.gz SLOSDQOOXHKPIW-UHFFFAOYSA-N -1 3 389.419 2.948 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCc1ccccn1 ZINC000819746040 607443662 /nfs/dbraw/zinc/44/36/62/607443662.db2.gz YOFSKTYAZRNTST-UHFFFAOYSA-N -1 3 377.452 2.592 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCc1ccccn1 ZINC000819746040 607443663 /nfs/dbraw/zinc/44/36/63/607443663.db2.gz YOFSKTYAZRNTST-UHFFFAOYSA-N -1 3 377.452 2.592 20 30 GFEDHM CON=Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000831836710 601776777 /nfs/dbraw/zinc/77/67/77/601776777.db2.gz LAPJFUASTSFSOC-JOCHJYFZSA-N -1 3 395.459 2.516 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)NC(=O)[O-])cc1Cl ZINC000739915868 602926613 /nfs/dbraw/zinc/92/66/13/602926613.db2.gz JXZNCOINDBWVDP-NSHDSACASA-N -1 3 381.816 2.822 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccccc1Cl ZINC000824739004 607596970 /nfs/dbraw/zinc/59/69/70/607596970.db2.gz TYMNIIYEJSWQKK-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM Cc1csc(=Nc2ccccn2)n1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826320366 607634259 /nfs/dbraw/zinc/63/42/59/607634259.db2.gz OBEWZVYFHUOVOF-UHFFFAOYSA-N -1 3 380.412 2.687 20 30 GFEDHM Cc1csc(=Nc2ccccn2)n1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826320366 607634261 /nfs/dbraw/zinc/63/42/61/607634261.db2.gz OBEWZVYFHUOVOF-UHFFFAOYSA-N -1 3 380.412 2.687 20 30 GFEDHM C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCN(C(=O)[O-])C1 ZINC000823521801 603943021 /nfs/dbraw/zinc/94/30/21/603943021.db2.gz JTXGTRVMYCKLSY-HNNXBMFYSA-N -1 3 379.530 2.585 20 30 GFEDHM COc1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826199216 607712008 /nfs/dbraw/zinc/71/20/08/607712008.db2.gz SRTKNMLKSLXBFK-KRWDZBQOSA-N -1 3 391.435 2.720 20 30 GFEDHM COc1ccc(CNC(=O)N[C@@H](CCC#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826199216 607712011 /nfs/dbraw/zinc/71/20/11/607712011.db2.gz SRTKNMLKSLXBFK-KRWDZBQOSA-N -1 3 391.435 2.720 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCC(OC)CC1 ZINC000819742889 606175189 /nfs/dbraw/zinc/17/51/89/606175189.db2.gz BLVLQFYJHFKZLJ-UHFFFAOYSA-N -1 3 384.484 2.770 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCC(OC)CC1 ZINC000819742889 606175191 /nfs/dbraw/zinc/17/51/91/606175191.db2.gz BLVLQFYJHFKZLJ-UHFFFAOYSA-N -1 3 384.484 2.770 20 30 GFEDHM C#CC[C@@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000819693185 606181107 /nfs/dbraw/zinc/18/11/07/606181107.db2.gz OLDBXMKIUSPHAF-QGZVFWFLSA-N -1 3 378.388 2.997 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822665211 606257428 /nfs/dbraw/zinc/25/74/28/606257428.db2.gz KTTVVTVZAGAGEI-UHFFFAOYSA-N -1 3 389.444 2.735 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000822800955 606562534 /nfs/dbraw/zinc/56/25/34/606562534.db2.gz BTXNPUOSAFUNJE-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000822800955 606562536 /nfs/dbraw/zinc/56/25/36/606562536.db2.gz BTXNPUOSAFUNJE-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc(SC)ns1 ZINC000819745656 606829246 /nfs/dbraw/zinc/82/92/46/606829246.db2.gz NZHVSISUCJEJGZ-UHFFFAOYSA-N -1 3 388.482 2.660 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc(SC)ns1 ZINC000819745656 606829247 /nfs/dbraw/zinc/82/92/47/606829247.db2.gz NZHVSISUCJEJGZ-UHFFFAOYSA-N -1 3 388.482 2.660 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCOc1cccc(C#N)c1 ZINC000820549110 606944822 /nfs/dbraw/zinc/94/48/22/606944822.db2.gz KIQNQXSAVSBZQU-CQSZACIVSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCOc1cccc(C#N)c1 ZINC000820549110 606944823 /nfs/dbraw/zinc/94/48/23/606944823.db2.gz KIQNQXSAVSBZQU-CQSZACIVSA-N -1 3 393.403 2.518 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c(F)cccc1N1CCOCC1 ZINC000822922988 606978051 /nfs/dbraw/zinc/97/80/51/606978051.db2.gz LXEOCISOXWPAIX-GQCTYLIASA-N -1 3 385.424 2.800 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccccc2C#N)c(-c2nnn[n-]2)c(C)c1C ZINC000826327878 607787787 /nfs/dbraw/zinc/78/77/87/607787787.db2.gz XYSFKZGNLQGBAA-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccccc2C#N)c(-c2nn[n-]n2)c(C)c1C ZINC000826327878 607787788 /nfs/dbraw/zinc/78/77/88/607787788.db2.gz XYSFKZGNLQGBAA-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cc1 ZINC000823931628 607913947 /nfs/dbraw/zinc/91/39/47/607913947.db2.gz BWKNHRPERMIWKD-UHFFFAOYSA-N -1 3 394.387 2.575 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cc1 ZINC000823931628 607913948 /nfs/dbraw/zinc/91/39/48/607913948.db2.gz BWKNHRPERMIWKD-UHFFFAOYSA-N -1 3 394.387 2.575 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823899185 607944546 /nfs/dbraw/zinc/94/45/46/607944546.db2.gz OULYUPACMAPISN-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823899185 607944547 /nfs/dbraw/zinc/94/45/47/607944547.db2.gz OULYUPACMAPISN-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=CCc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc(OC)c1OC ZINC000823937259 607947453 /nfs/dbraw/zinc/94/74/53/607947453.db2.gz OPPWDWDILUESNT-UHFFFAOYSA-N -1 3 391.431 2.815 20 30 GFEDHM C=CCc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc(OC)c1OC ZINC000823937259 607947454 /nfs/dbraw/zinc/94/74/54/607947454.db2.gz OPPWDWDILUESNT-UHFFFAOYSA-N -1 3 391.431 2.815 20 30 GFEDHM C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823850472 607967056 /nfs/dbraw/zinc/96/70/56/607967056.db2.gz OQIXPYFLXSFODS-UHFFFAOYSA-N -1 3 382.424 2.504 20 30 GFEDHM C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000823850472 607967057 /nfs/dbraw/zinc/96/70/57/607967057.db2.gz OQIXPYFLXSFODS-UHFFFAOYSA-N -1 3 382.424 2.504 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826207495 607984600 /nfs/dbraw/zinc/98/46/00/607984600.db2.gz QCAKZILBVKNAMN-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207495 607984601 /nfs/dbraw/zinc/98/46/01/607984601.db2.gz QCAKZILBVKNAMN-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000824293519 608024726 /nfs/dbraw/zinc/02/47/26/608024726.db2.gz PPARYFYSTKMCLU-UHFFFAOYSA-N -1 3 390.447 2.749 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000824293519 608024727 /nfs/dbraw/zinc/02/47/27/608024727.db2.gz PPARYFYSTKMCLU-UHFFFAOYSA-N -1 3 390.447 2.749 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NC2=NO[C@@H](C)C2)cc1 ZINC000826255332 608208232 /nfs/dbraw/zinc/20/82/32/608208232.db2.gz UHDVNFXMCMKNQU-LBPRGKRZSA-N -1 3 378.392 2.820 20 30 GFEDHM C[C@@H]1CC(=NC(=O)c2ccccc2Sc2ccccc2-c2nn[n-]n2)NO1 ZINC000824892348 608212711 /nfs/dbraw/zinc/21/27/11/608212711.db2.gz HCMWXVWMUNDUGX-LLVKDONJSA-N -1 3 380.433 2.870 20 30 GFEDHM N#Cc1ccccc1N1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826387510 608225569 /nfs/dbraw/zinc/22/55/69/608225569.db2.gz YVEXWJLYPDSGJR-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM N#Cc1ccccc1N1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826387510 608225571 /nfs/dbraw/zinc/22/55/71/608225571.db2.gz YVEXWJLYPDSGJR-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM N#Cc1ccc2nc(N3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)ccc2c1 ZINC000826385910 608235021 /nfs/dbraw/zinc/23/50/21/608235021.db2.gz GYEWRXVVOZFUCO-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1ccc2nc(N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)ccc2c1 ZINC000826385910 608235023 /nfs/dbraw/zinc/23/50/23/608235023.db2.gz GYEWRXVVOZFUCO-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNc2nc(C)ccc2-c2nnn[n-]2)ccc1OC ZINC000825039083 608287990 /nfs/dbraw/zinc/28/79/90/608287990.db2.gz MCCSXNAJOUGHDH-CQSZACIVSA-N -1 3 379.424 2.872 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNc2nc(C)ccc2-c2nn[n-]n2)ccc1OC ZINC000825039083 608287992 /nfs/dbraw/zinc/28/79/92/608287992.db2.gz MCCSXNAJOUGHDH-CQSZACIVSA-N -1 3 379.424 2.872 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824035153 608355419 /nfs/dbraw/zinc/35/54/19/608355419.db2.gz SNPXSINGMFLXTP-CQSZACIVSA-N -1 3 375.436 2.835 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824035153 608355422 /nfs/dbraw/zinc/35/54/22/608355422.db2.gz SNPXSINGMFLXTP-CQSZACIVSA-N -1 3 375.436 2.835 20 30 GFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823931742 608468368 /nfs/dbraw/zinc/46/83/68/608468368.db2.gz FAERHHODQZSHTA-UHFFFAOYSA-N -1 3 380.408 2.866 20 30 GFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823931742 608468369 /nfs/dbraw/zinc/46/83/69/608468369.db2.gz FAERHHODQZSHTA-UHFFFAOYSA-N -1 3 380.408 2.866 20 30 GFEDHM N#Cc1ccc(-c2nnc(CNC3(c4cccc(-c5nnn[n-]5)c4)CC3)o2)cc1 ZINC000826384092 608529801 /nfs/dbraw/zinc/52/98/01/608529801.db2.gz GRJMNOYLYDRMNM-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM N#Cc1ccc(-c2nnc(CNC3(c4cccc(-c5nn[n-]n5)c4)CC3)o2)cc1 ZINC000826384092 608529803 /nfs/dbraw/zinc/52/98/03/608529803.db2.gz GRJMNOYLYDRMNM-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM N#Cc1ccc2ncc(CN3CC=C(c4ccc(-c5nn[n-]n5)cc4)CC3)n2c1 ZINC000826386700 608857873 /nfs/dbraw/zinc/85/78/73/608857873.db2.gz PBGOBFSZLAIPMQ-UHFFFAOYSA-N -1 3 382.431 2.675 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1N1CCOCC1 ZINC000826400485 608880093 /nfs/dbraw/zinc/88/00/93/608880093.db2.gz AACIGUNOLQRLGE-FNORWQNLSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1N1CCOCC1 ZINC000826400485 608880095 /nfs/dbraw/zinc/88/00/95/608880095.db2.gz AACIGUNOLQRLGE-FNORWQNLSA-N -1 3 397.385 2.878 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccccc2CC#N)cc1-c1nnn[n-]1 ZINC000824328786 609233518 /nfs/dbraw/zinc/23/35/18/609233518.db2.gz AHMVTYFKBXDXFP-UHFFFAOYSA-N -1 3 376.420 2.901 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)Cc2ccccc2CC#N)cc1-c1nn[n-]n1 ZINC000824328786 609233519 /nfs/dbraw/zinc/23/35/19/609233519.db2.gz AHMVTYFKBXDXFP-UHFFFAOYSA-N -1 3 376.420 2.901 20 30 GFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC ZINC000826190681 609282685 /nfs/dbraw/zinc/28/26/85/609282685.db2.gz JNJHMHLEODPZPN-GFCCVEGCSA-N -1 3 392.419 2.573 20 30 GFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC ZINC000826190681 609282687 /nfs/dbraw/zinc/28/26/87/609282687.db2.gz JNJHMHLEODPZPN-GFCCVEGCSA-N -1 3 392.419 2.573 20 30 GFEDHM CC(C)(C)OC(=O)c1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824114027 609305286 /nfs/dbraw/zinc/30/52/86/609305286.db2.gz IDBJMKHZXROREB-UHFFFAOYSA-N -1 3 378.436 2.946 20 30 GFEDHM CC(C)(C)OC(=O)c1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824114027 609305288 /nfs/dbraw/zinc/30/52/88/609305288.db2.gz IDBJMKHZXROREB-UHFFFAOYSA-N -1 3 378.436 2.946 20 30 GFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000832170913 660760149 /nfs/dbraw/zinc/76/01/49/660760149.db2.gz ZLCLLWDEBFIDHC-UHFFFAOYSA-N -1 3 394.262 2.865 20 30 GFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[C@@H](C)SC ZINC000835681980 660869975 /nfs/dbraw/zinc/86/99/75/660869975.db2.gz TUCDMXCJZIQYKV-OCCSQVGLSA-N -1 3 384.523 2.579 20 30 GFEDHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000029336198 654576005 /nfs/dbraw/zinc/57/60/05/654576005.db2.gz JXYJZXPDLRCZFL-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000123720233 654761569 /nfs/dbraw/zinc/76/15/69/654761569.db2.gz AGPFJLRAMBCBHB-UHFFFAOYSA-N -1 3 384.866 2.806 20 30 GFEDHM C[C@]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000125639845 654800272 /nfs/dbraw/zinc/80/02/72/654800272.db2.gz AERVLJGLVJKXQT-MRXNPFEDSA-N -1 3 398.271 2.544 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000295635802 655367074 /nfs/dbraw/zinc/36/70/74/655367074.db2.gz DBBLMCKOOPNDIP-UWVGGRQHSA-N -1 3 388.243 2.718 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000730812405 655578328 /nfs/dbraw/zinc/57/83/28/655578328.db2.gz VCYSKNFMTOWSNM-UHFFFAOYSA-N -1 3 384.292 2.794 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc(Cl)s2)ccc1F ZINC000760489097 655982465 /nfs/dbraw/zinc/98/24/65/655982465.db2.gz VHULYPGNLPEOKC-UHFFFAOYSA-N -1 3 390.845 2.757 20 30 GFEDHM C#CCN(CC)C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000764513153 656112488 /nfs/dbraw/zinc/11/24/88/656112488.db2.gz FJRSKWYBQAAQHF-UHFFFAOYSA-N -1 3 375.277 2.529 20 30 GFEDHM CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000767796011 656220071 /nfs/dbraw/zinc/22/00/71/656220071.db2.gz LQZKNOZDSNHDOE-UHFFFAOYSA-N -1 3 382.825 2.535 20 30 GFEDHM N#C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000776382315 656736359 /nfs/dbraw/zinc/73/63/59/656736359.db2.gz BZRGDAUYVJWDNI-LLVKDONJSA-N -1 3 376.887 2.695 20 30 GFEDHM CCOC(=O)c1cnc(N=NCc2ccc([O-])c(Br)c2)nc1C ZINC000777891915 656841155 /nfs/dbraw/zinc/84/11/55/656841155.db2.gz XCEFEGDJSJJYGP-UHFFFAOYSA-N -1 3 379.214 2.876 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCCO1 ZINC000790280252 657947171 /nfs/dbraw/zinc/94/71/71/657947171.db2.gz VFKKHYVFBASHPL-GHMZBOCLSA-N -1 3 378.675 2.562 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCO1 ZINC000800933936 659353024 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C=C(C)C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493909984 564812740 /nfs/dbraw/zinc/81/27/40/564812740.db2.gz XYRWLLIQRIDTDN-UHFFFAOYSA-N -1 3 379.232 2.529 20 30 GFEDHM CCN(CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CCC(F)(F)F ZINC000494407471 564828395 /nfs/dbraw/zinc/82/83/95/564828395.db2.gz UAMVOPPKERFIKZ-UHFFFAOYSA-N -1 3 383.823 2.764 20 30 GFEDHM COc1cccc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000557795579 564876952 /nfs/dbraw/zinc/87/69/52/564876952.db2.gz KKZQXXBTKVXXCK-UHFFFAOYSA-N -1 3 395.278 2.850 20 30 GFEDHM CSc1cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)ccn1 ZINC000557841218 564880537 /nfs/dbraw/zinc/88/05/37/564880537.db2.gz MBYQAYKZIARCDT-UHFFFAOYSA-N -1 3 398.307 2.916 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000559638266 564938319 /nfs/dbraw/zinc/93/83/19/564938319.db2.gz BURISURQHIGCRV-UHFFFAOYSA-N -1 3 395.278 2.850 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](CO)C1CCCCC1 ZINC000561518177 564997637 /nfs/dbraw/zinc/99/76/37/564997637.db2.gz SWQKYBPBUQQVLM-AWEZNQCLSA-N -1 3 387.299 2.540 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)cc1Cl ZINC000470252275 565042154 /nfs/dbraw/zinc/04/21/54/565042154.db2.gz OHUUVPXQWDMIKB-UHFFFAOYSA-N -1 3 377.788 2.937 20 30 GFEDHM C=CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@H](C)COC ZINC000617580488 565246744 /nfs/dbraw/zinc/24/67/44/565246744.db2.gz ZDLUQQJZHGDSLR-LLVKDONJSA-N -1 3 379.254 2.954 20 30 GFEDHM C=CCN(C(=O)c1cnc2ccc(Br)cc2c1[O-])[C@H](C)COC ZINC000617580488 565246750 /nfs/dbraw/zinc/24/67/50/565246750.db2.gz ZDLUQQJZHGDSLR-LLVKDONJSA-N -1 3 379.254 2.954 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000593534126 565339145 /nfs/dbraw/zinc/33/91/45/565339145.db2.gz GVQBLVPCEBJJFM-UHFFFAOYSA-N -1 3 379.482 2.702 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000593568454 565343075 /nfs/dbraw/zinc/34/30/75/565343075.db2.gz HSMWORKVCMAWII-CJNGLKHVSA-N -1 3 383.445 2.622 20 30 GFEDHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773963 565419097 /nfs/dbraw/zinc/41/90/97/565419097.db2.gz UGEVIVRVOGNQRF-ZYHUDNBSSA-N -1 3 380.491 2.947 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2N2CCCC2)c1 ZINC000594802772 565423084 /nfs/dbraw/zinc/42/30/84/565423084.db2.gz BRSJBEIWEDAPAP-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM CNC(=O)CC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCCC1 ZINC000595366776 565469239 /nfs/dbraw/zinc/46/92/39/565469239.db2.gz IYGQPKLMIRXRKM-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM Cc1nc(C#N)c(N2[N-]C(=O)[C@](C)(c3ccc(Cl)c(Cl)c3)CC2=O)o1 ZINC000601941649 565809794 /nfs/dbraw/zinc/80/97/94/565809794.db2.gz ZNJILPBEBRBUGX-INIZCTEOSA-N -1 3 379.203 2.887 20 30 GFEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629161583 565827458 /nfs/dbraw/zinc/82/74/58/565827458.db2.gz LXXVXGUAUJJIJU-GFCCVEGCSA-N -1 3 395.282 2.978 20 30 GFEDHM O=C(CC(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[N-]CC(F)(F)F ZINC000679444477 566041628 /nfs/dbraw/zinc/04/16/28/566041628.db2.gz WTFPELZBCLGLHB-RNFRBKRXSA-N -1 3 388.230 2.644 20 30 GFEDHM CC(C)(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000611015791 566110920 /nfs/dbraw/zinc/11/09/20/566110920.db2.gz CMZMMLSYOXUTBV-UHFFFAOYSA-N -1 3 383.901 2.527 20 30 GFEDHM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)C1 ZINC000657094078 566222042 /nfs/dbraw/zinc/22/20/42/566222042.db2.gz MLJUFCWGSHKWMH-CYBMUJFWSA-N -1 3 390.502 2.564 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000737676029 598826090 /nfs/dbraw/zinc/82/60/90/598826090.db2.gz TZNWIQJYRGIEHM-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000737676029 598826092 /nfs/dbraw/zinc/82/60/92/598826092.db2.gz TZNWIQJYRGIEHM-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737548196 598917174 /nfs/dbraw/zinc/91/71/74/598917174.db2.gz OFGMCGSRGNUXRJ-UHFFFAOYSA-N -1 3 385.387 2.883 20 30 GFEDHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737548196 598917175 /nfs/dbraw/zinc/91/71/75/598917175.db2.gz OFGMCGSRGNUXRJ-UHFFFAOYSA-N -1 3 385.387 2.883 20 30 GFEDHM FC(F)(F)COc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822718192 607252804 /nfs/dbraw/zinc/25/28/04/607252804.db2.gz BWYAODYFSIMVAC-UHFFFAOYSA-N -1 3 376.342 2.932 20 30 GFEDHM FC(F)(F)COc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822718192 607252805 /nfs/dbraw/zinc/25/28/05/607252805.db2.gz BWYAODYFSIMVAC-UHFFFAOYSA-N -1 3 376.342 2.932 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(F)cc2Br)cc1-c1nnn[n-]1 ZINC000737718956 598917428 /nfs/dbraw/zinc/91/74/28/598917428.db2.gz OBKOGWGEASHBFF-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(F)cc2Br)cc1-c1nn[n-]n1 ZINC000737718956 598917431 /nfs/dbraw/zinc/91/74/31/598917431.db2.gz OBKOGWGEASHBFF-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737548790 598922907 /nfs/dbraw/zinc/92/29/07/598922907.db2.gz RRIKHAFMHDGPCF-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737548790 598922909 /nfs/dbraw/zinc/92/29/09/598922909.db2.gz RRIKHAFMHDGPCF-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)cc1-c1nnn[n-]1 ZINC000737718456 598927447 /nfs/dbraw/zinc/92/74/47/598927447.db2.gz JLTUHNKKLDIEOW-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)cc1-c1nn[n-]n1 ZINC000737718456 598927449 /nfs/dbraw/zinc/92/74/49/598927449.db2.gz JLTUHNKKLDIEOW-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735388300 598962400 /nfs/dbraw/zinc/96/24/00/598962400.db2.gz XFZXJYXQTXBRCK-UHFFFAOYSA-N -1 3 393.451 2.757 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735388300 598962402 /nfs/dbraw/zinc/96/24/02/598962402.db2.gz XFZXJYXQTXBRCK-UHFFFAOYSA-N -1 3 393.451 2.757 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735963534 599028819 /nfs/dbraw/zinc/02/88/19/599028819.db2.gz GOOSQEIWIVXGNN-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735963534 599028821 /nfs/dbraw/zinc/02/88/21/599028821.db2.gz GOOSQEIWIVXGNN-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3)cc1-c1nnn[n-]1 ZINC000737082469 599155735 /nfs/dbraw/zinc/15/57/35/599155735.db2.gz VPIQAVFXMJQEEW-UQCOIBPSSA-N -1 3 375.388 2.656 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3)cc1-c1nn[n-]n1 ZINC000737082469 599155737 /nfs/dbraw/zinc/15/57/37/599155737.db2.gz VPIQAVFXMJQEEW-UQCOIBPSSA-N -1 3 375.388 2.656 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000737011144 599153897 /nfs/dbraw/zinc/15/38/97/599153897.db2.gz NMFYHNVNWSAGAO-OQFOIZHKSA-N -1 3 380.404 2.797 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000737011144 599153900 /nfs/dbraw/zinc/15/39/00/599153900.db2.gz NMFYHNVNWSAGAO-OQFOIZHKSA-N -1 3 380.404 2.797 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2cnn(C(C)C)c2n1 ZINC000737236114 599199550 /nfs/dbraw/zinc/19/95/50/599199550.db2.gz BFLRSIKEAJDNDA-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2cnn(C(C)C)c2n1 ZINC000737236114 599199551 /nfs/dbraw/zinc/19/95/51/599199551.db2.gz BFLRSIKEAJDNDA-UHFFFAOYSA-N -1 3 387.407 2.625 20 30 GFEDHM N#CCSCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822814247 599218974 /nfs/dbraw/zinc/21/89/74/599218974.db2.gz CZQIVJSEIXELQB-UHFFFAOYSA-N -1 3 384.396 2.993 20 30 GFEDHM N#CCSCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822814247 599218976 /nfs/dbraw/zinc/21/89/76/599218976.db2.gz CZQIVJSEIXELQB-UHFFFAOYSA-N -1 3 384.396 2.993 20 30 GFEDHM C=CCNc1ncc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)s1 ZINC000819750642 607263361 /nfs/dbraw/zinc/26/33/61/607263361.db2.gz IGCIBAYVGNQBMM-UHFFFAOYSA-N -1 3 381.421 2.531 20 30 GFEDHM C=CCNc1ncc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)s1 ZINC000819750642 607263362 /nfs/dbraw/zinc/26/33/62/607263362.db2.gz IGCIBAYVGNQBMM-UHFFFAOYSA-N -1 3 381.421 2.531 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450826 598276662 /nfs/dbraw/zinc/27/66/62/598276662.db2.gz FBLATWNLEBSBHJ-UHFFFAOYSA-N -1 3 380.481 2.643 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450826 598276663 /nfs/dbraw/zinc/27/66/63/598276663.db2.gz FBLATWNLEBSBHJ-UHFFFAOYSA-N -1 3 380.481 2.643 20 30 GFEDHM CN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1F ZINC000736737429 598308322 /nfs/dbraw/zinc/30/83/22/598308322.db2.gz RYLHRHMMDLQART-UHFFFAOYSA-N -1 3 382.424 2.774 20 30 GFEDHM CN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1F ZINC000736737429 598308324 /nfs/dbraw/zinc/30/83/24/598308324.db2.gz RYLHRHMMDLQART-UHFFFAOYSA-N -1 3 382.424 2.774 20 30 GFEDHM CN(CCC#N)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000736793083 598379848 /nfs/dbraw/zinc/37/98/48/598379848.db2.gz WCKIWESAOGUTCA-AQTBWJFISA-N -1 3 399.414 2.561 20 30 GFEDHM CN(CCC#N)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000736793083 598379849 /nfs/dbraw/zinc/37/98/49/598379849.db2.gz WCKIWESAOGUTCA-AQTBWJFISA-N -1 3 399.414 2.561 20 30 GFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735906746 598382621 /nfs/dbraw/zinc/38/26/21/598382621.db2.gz VUAQPHXUJIXAFS-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000736504842 598382758 /nfs/dbraw/zinc/38/27/58/598382758.db2.gz HOLFWUKHSJDRTM-AWEZNQCLSA-N -1 3 375.436 2.760 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000735875669 598383529 /nfs/dbraw/zinc/38/35/29/598383529.db2.gz YYTPSRDKEQRGTJ-UHFFFAOYSA-N -1 3 375.436 2.587 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000735875669 598383532 /nfs/dbraw/zinc/38/35/32/598383532.db2.gz YYTPSRDKEQRGTJ-UHFFFAOYSA-N -1 3 375.436 2.587 20 30 GFEDHM N#CCCCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737688865 598595952 /nfs/dbraw/zinc/59/59/52/598595952.db2.gz ZEHMYVPIMORHEL-UHFFFAOYSA-N -1 3 383.433 2.936 20 30 GFEDHM N#CCCCCS(=O)(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737688865 598595953 /nfs/dbraw/zinc/59/59/53/598595953.db2.gz ZEHMYVPIMORHEL-UHFFFAOYSA-N -1 3 383.433 2.936 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2C)nc1 ZINC000735390310 598735526 /nfs/dbraw/zinc/73/55/26/598735526.db2.gz XHCOJLCTRLDGMF-UHFFFAOYSA-N -1 3 397.398 2.991 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000737721514 598756054 /nfs/dbraw/zinc/75/60/54/598756054.db2.gz KVMZYUSIYBTLDJ-UHFFFAOYSA-N -1 3 387.447 2.670 20 30 GFEDHM N#Cc1ccc(OC2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1 ZINC000737721514 598756056 /nfs/dbraw/zinc/75/60/56/598756056.db2.gz KVMZYUSIYBTLDJ-UHFFFAOYSA-N -1 3 387.447 2.670 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735416487 598761238 /nfs/dbraw/zinc/76/12/38/598761238.db2.gz LUAKJYZTNXLPSL-UHFFFAOYSA-N -1 3 386.431 2.539 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735416487 598761239 /nfs/dbraw/zinc/76/12/39/598761239.db2.gz LUAKJYZTNXLPSL-UHFFFAOYSA-N -1 3 386.431 2.539 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc(COC)cs1 ZINC000819745608 599295469 /nfs/dbraw/zinc/29/54/69/599295469.db2.gz LVIMSDFELSBAKK-UHFFFAOYSA-N -1 3 385.453 2.690 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc(COC)cs1 ZINC000819745608 599295470 /nfs/dbraw/zinc/29/54/70/599295470.db2.gz LVIMSDFELSBAKK-UHFFFAOYSA-N -1 3 385.453 2.690 20 30 GFEDHM O=[N+]([O-])c1ccc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)c([N+](=O)[O-])c1 ZINC000823639617 599330935 /nfs/dbraw/zinc/33/09/35/599330935.db2.gz DUURCGHYOURBPM-UHFFFAOYSA-N -1 3 394.351 2.836 20 30 GFEDHM O=[N+]([O-])c1ccc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)c([N+](=O)[O-])c1 ZINC000823639617 599330938 /nfs/dbraw/zinc/33/09/38/599330938.db2.gz DUURCGHYOURBPM-UHFFFAOYSA-N -1 3 394.351 2.836 20 30 GFEDHM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321454 599506074 /nfs/dbraw/zinc/50/60/74/599506074.db2.gz GOCAURQPNFKMBQ-AUUYWEPGSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321454 599506076 /nfs/dbraw/zinc/50/60/76/599506076.db2.gz GOCAURQPNFKMBQ-AUUYWEPGSA-N -1 3 387.447 2.585 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822541245 599523057 /nfs/dbraw/zinc/52/30/57/599523057.db2.gz LYUDGJRKECBUNK-LBPRGKRZSA-N -1 3 387.403 2.922 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822541245 599523058 /nfs/dbraw/zinc/52/30/58/599523058.db2.gz LYUDGJRKECBUNK-LBPRGKRZSA-N -1 3 387.403 2.922 20 30 GFEDHM N#CCCn1ccc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737694991 599570399 /nfs/dbraw/zinc/57/03/99/599570399.db2.gz RTUUWICHBYNBQM-UHFFFAOYSA-N -1 3 399.418 2.973 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822819305 599694517 /nfs/dbraw/zinc/69/45/17/599694517.db2.gz OMPOGUUDTFSYHV-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000822819305 599694518 /nfs/dbraw/zinc/69/45/18/599694518.db2.gz OMPOGUUDTFSYHV-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM C=CCC[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000819734806 607388199 /nfs/dbraw/zinc/38/81/99/607388199.db2.gz UKKCEHFSHJVYRL-KRWDZBQOSA-N -1 3 392.467 2.680 20 30 GFEDHM C=CCC[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000819734806 607388201 /nfs/dbraw/zinc/38/82/01/607388201.db2.gz UKKCEHFSHJVYRL-KRWDZBQOSA-N -1 3 392.467 2.680 20 30 GFEDHM N#CC(C(=O)CCSCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000739076315 599799513 /nfs/dbraw/zinc/79/95/13/599799513.db2.gz ZLWQRAYAMXBZBK-NSHDSACASA-N -1 3 375.233 2.849 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924068 607460899 /nfs/dbraw/zinc/46/08/99/607460899.db2.gz WLJKKVDIQMSMPS-YVMONPNESA-N -1 3 393.422 2.863 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924068 607460900 /nfs/dbraw/zinc/46/09/00/607460900.db2.gz WLJKKVDIQMSMPS-YVMONPNESA-N -1 3 393.422 2.863 20 30 GFEDHM Fc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822741358 607463671 /nfs/dbraw/zinc/46/36/71/607463671.db2.gz VVHQWMFKWGWLLY-UHFFFAOYSA-N -1 3 384.375 2.574 20 30 GFEDHM Fc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822741358 607463672 /nfs/dbraw/zinc/46/36/72/607463672.db2.gz VVHQWMFKWGWLLY-UHFFFAOYSA-N -1 3 384.375 2.574 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826383904 607580870 /nfs/dbraw/zinc/58/08/70/607580870.db2.gz WSRMVBWCZBOUDV-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826383904 607580872 /nfs/dbraw/zinc/58/08/72/607580872.db2.gz WSRMVBWCZBOUDV-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826243750 607648632 /nfs/dbraw/zinc/64/86/32/607648632.db2.gz UKXJIGHPCIJWAH-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cccc(Cl)c1C#N ZINC000826243750 607648633 /nfs/dbraw/zinc/64/86/33/607648633.db2.gz UKXJIGHPCIJWAH-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000826244682 607684940 /nfs/dbraw/zinc/68/49/40/607684940.db2.gz AKDQTXHMONBWON-UHFFFAOYSA-N -1 3 388.431 2.730 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000826244682 607684942 /nfs/dbraw/zinc/68/49/42/607684942.db2.gz AKDQTXHMONBWON-UHFFFAOYSA-N -1 3 388.431 2.730 20 30 GFEDHM C=CCN(Cc1cc(C(=O)OC)oc1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745412 606108698 /nfs/dbraw/zinc/10/86/98/606108698.db2.gz BNDGLCWBBXCJGB-UHFFFAOYSA-N -1 3 381.436 2.997 20 30 GFEDHM Clc1nc2ccccn2c1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822589914 606177270 /nfs/dbraw/zinc/17/72/70/606177270.db2.gz CZYLUVRTCDKCOS-UHFFFAOYSA-N -1 3 392.810 2.971 20 30 GFEDHM Clc1nc2ccccn2c1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822589914 606177273 /nfs/dbraw/zinc/17/72/73/606177273.db2.gz CZYLUVRTCDKCOS-UHFFFAOYSA-N -1 3 392.810 2.971 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000822632140 606287771 /nfs/dbraw/zinc/28/77/71/606287771.db2.gz RUHFMDATOQZMTJ-LBPRGKRZSA-N -1 3 376.207 2.507 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000822632140 606287773 /nfs/dbraw/zinc/28/77/73/606287773.db2.gz RUHFMDATOQZMTJ-LBPRGKRZSA-N -1 3 376.207 2.507 20 30 GFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccc(F)cc1 ZINC000822015395 606306053 /nfs/dbraw/zinc/30/60/53/606306053.db2.gz JEMLPSQBZHTCNZ-SREVYHEPSA-N -1 3 381.396 2.853 20 30 GFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)nnn1-c1ccc(F)cc1 ZINC000822015395 606306054 /nfs/dbraw/zinc/30/60/54/606306054.db2.gz JEMLPSQBZHTCNZ-SREVYHEPSA-N -1 3 381.396 2.853 20 30 GFEDHM N#Cc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822842373 606339827 /nfs/dbraw/zinc/33/98/27/606339827.db2.gz FOWZGCDRPKKDRT-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822842373 606339828 /nfs/dbraw/zinc/33/98/28/606339828.db2.gz FOWZGCDRPKKDRT-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1ccsc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822842332 606559462 /nfs/dbraw/zinc/55/94/62/606559462.db2.gz CIUJJZANMBILPB-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM N#Cc1ccsc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822842332 606559463 /nfs/dbraw/zinc/55/94/63/606559463.db2.gz CIUJJZANMBILPB-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000819744197 606602453 /nfs/dbraw/zinc/60/24/53/606602453.db2.gz ZTMRLEDKPRLNKA-QZTJIDSGSA-N -1 3 384.484 2.625 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000819744197 606602454 /nfs/dbraw/zinc/60/24/54/606602454.db2.gz ZTMRLEDKPRLNKA-QZTJIDSGSA-N -1 3 384.484 2.625 20 30 GFEDHM N#Cc1cc2c(nc1NC1CCN(c3ccccc3-c3nnn[n-]3)CC1)CCC2 ZINC000822823392 606643600 /nfs/dbraw/zinc/64/36/00/606643600.db2.gz PBWVQXBGWHGVIZ-UHFFFAOYSA-N -1 3 386.463 2.703 20 30 GFEDHM N#Cc1cc2c(nc1NC1CCN(c3ccccc3-c3nn[n-]n3)CC1)CCC2 ZINC000822823392 606643601 /nfs/dbraw/zinc/64/36/01/606643601.db2.gz PBWVQXBGWHGVIZ-UHFFFAOYSA-N -1 3 386.463 2.703 20 30 GFEDHM C=C(C)COCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819722258 606818099 /nfs/dbraw/zinc/81/80/99/606818099.db2.gz FNAHMRGVIGTRLU-UHFFFAOYSA-N -1 3 380.452 2.597 20 30 GFEDHM C=CCn1c(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccco1 ZINC000819765436 606848342 /nfs/dbraw/zinc/84/83/42/606848342.db2.gz QCRXXTDXQKLCHO-AWEZNQCLSA-N -1 3 395.448 2.730 20 30 GFEDHM C=CCn1c(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccco1 ZINC000819765436 606848343 /nfs/dbraw/zinc/84/83/43/606848343.db2.gz QCRXXTDXQKLCHO-AWEZNQCLSA-N -1 3 395.448 2.730 20 30 GFEDHM C=CCNc1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819751612 606865186 /nfs/dbraw/zinc/86/51/86/606865186.db2.gz XQPNFELYPSAGMU-UHFFFAOYSA-N -1 3 375.483 2.877 20 30 GFEDHM C=CCNc1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819751612 606865187 /nfs/dbraw/zinc/86/51/87/606865187.db2.gz XQPNFELYPSAGMU-UHFFFAOYSA-N -1 3 375.483 2.877 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821640669 606931071 /nfs/dbraw/zinc/93/10/71/606931071.db2.gz MIKCKVROLMSVII-YQJFHSMKSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821640669 606931072 /nfs/dbraw/zinc/93/10/72/606931072.db2.gz MIKCKVROLMSVII-YQJFHSMKSA-N -1 3 378.388 2.703 20 30 GFEDHM COc1cc(F)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OC ZINC000821719332 607150717 /nfs/dbraw/zinc/15/07/17/607150717.db2.gz BUUDBAFIINHAKU-PLNGDYQASA-N -1 3 394.366 2.567 20 30 GFEDHM COc1cc(F)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OC ZINC000821719332 607150719 /nfs/dbraw/zinc/15/07/19/607150719.db2.gz BUUDBAFIINHAKU-PLNGDYQASA-N -1 3 394.366 2.567 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825272307 607859669 /nfs/dbraw/zinc/85/96/69/607859669.db2.gz ZVLSNUKOARJFAZ-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825272307 607859670 /nfs/dbraw/zinc/85/96/70/607859670.db2.gz ZVLSNUKOARJFAZ-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826512396 607883019 /nfs/dbraw/zinc/88/30/19/607883019.db2.gz ZCNAYHIVFDVMNB-UHFFFAOYSA-N -1 3 382.840 2.950 20 30 GFEDHM S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1ccccc1-c1nn[n-]n1 ZINC000826512396 607883020 /nfs/dbraw/zinc/88/30/20/607883020.db2.gz ZCNAYHIVFDVMNB-UHFFFAOYSA-N -1 3 382.840 2.950 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824104253 607890291 /nfs/dbraw/zinc/89/02/91/607890291.db2.gz PZBFQBYUPYUYFT-HNNXBMFYSA-N -1 3 385.472 2.589 20 30 GFEDHM CC(C)(C)OC(=O)N1CCC[C@@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824104253 607890292 /nfs/dbraw/zinc/89/02/92/607890292.db2.gz PZBFQBYUPYUYFT-HNNXBMFYSA-N -1 3 385.472 2.589 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000824207014 607954690 /nfs/dbraw/zinc/95/46/90/607954690.db2.gz NUAXOKSHLDMGDL-IBGZPJMESA-N -1 3 388.431 2.731 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824207014 607954691 /nfs/dbraw/zinc/95/46/91/607954691.db2.gz NUAXOKSHLDMGDL-IBGZPJMESA-N -1 3 388.431 2.731 20 30 GFEDHM C=C[C@@H](CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882972 607980651 /nfs/dbraw/zinc/98/06/51/607980651.db2.gz HHKCAHQMIXZFCD-LBPRGKRZSA-N -1 3 383.433 2.770 20 30 GFEDHM C=C[C@@H](CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882972 607980652 /nfs/dbraw/zinc/98/06/52/607980652.db2.gz HHKCAHQMIXZFCD-LBPRGKRZSA-N -1 3 383.433 2.770 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(C(=O)OC)cc1F ZINC000823915540 607983010 /nfs/dbraw/zinc/98/30/10/607983010.db2.gz ZOQZAUCDFFLYJN-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C(=O)OC)cc1F ZINC000823915540 607983011 /nfs/dbraw/zinc/98/30/11/607983011.db2.gz ZOQZAUCDFFLYJN-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM C=CCCC(=O)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823888374 608056952 /nfs/dbraw/zinc/05/69/52/608056952.db2.gz KOCJMHPQZLVRAH-UHFFFAOYSA-N -1 3 382.376 2.731 20 30 GFEDHM C=CCCC(=O)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823888374 608056953 /nfs/dbraw/zinc/05/69/53/608056953.db2.gz KOCJMHPQZLVRAH-UHFFFAOYSA-N -1 3 382.376 2.731 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1CON=CC(=O)Nc1ccccc1Cl ZINC000826184619 608150475 /nfs/dbraw/zinc/15/04/75/608150475.db2.gz DQYXGWVAFFKOQZ-UHFFFAOYSA-N -1 3 386.799 2.670 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1CON=CC(=O)Nc1ccccc1Cl ZINC000826184619 608150476 /nfs/dbraw/zinc/15/04/76/608150476.db2.gz DQYXGWVAFFKOQZ-UHFFFAOYSA-N -1 3 386.799 2.670 20 30 GFEDHM COc1ccc(OC(F)F)c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826210692 608539014 /nfs/dbraw/zinc/53/90/14/608539014.db2.gz AKWUQBHVKNYWLI-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COc1ccc(OC(F)F)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826210692 608539015 /nfs/dbraw/zinc/53/90/15/608539015.db2.gz AKWUQBHVKNYWLI-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc(Br)nc2)n1 ZINC000826350465 608540850 /nfs/dbraw/zinc/54/08/50/608540850.db2.gz XHZKRTYECLMTCR-UHFFFAOYSA-N -1 3 379.609 2.519 20 30 GFEDHM C=CCCCN(C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823894148 608621273 /nfs/dbraw/zinc/62/12/73/608621273.db2.gz ISYFBRCJJDSMAU-UHFFFAOYSA-N -1 3 385.472 2.559 20 30 GFEDHM C=CCCCN(C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823894148 608621275 /nfs/dbraw/zinc/62/12/75/608621275.db2.gz ISYFBRCJJDSMAU-UHFFFAOYSA-N -1 3 385.472 2.559 20 30 GFEDHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000824113688 608833176 /nfs/dbraw/zinc/83/31/76/608833176.db2.gz AIOWGGLXXACGSA-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000824113688 608833179 /nfs/dbraw/zinc/83/31/79/608833179.db2.gz AIOWGGLXXACGSA-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nnn1-c1ccccc1 ZINC000826234192 608877409 /nfs/dbraw/zinc/87/74/09/608877409.db2.gz LOCZYOOVFAGLKJ-NTMALXAHSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000826234192 608877411 /nfs/dbraw/zinc/87/74/11/608877411.db2.gz LOCZYOOVFAGLKJ-NTMALXAHSA-N -1 3 375.367 2.791 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1[N+](=O)[O-] ZINC000826178602 608879191 /nfs/dbraw/zinc/87/91/91/608879191.db2.gz DZTSWFVPHYNOOO-JYRVWZFOSA-N -1 3 377.360 2.996 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1[N+](=O)[O-] ZINC000826178602 608879194 /nfs/dbraw/zinc/87/91/94/608879194.db2.gz DZTSWFVPHYNOOO-JYRVWZFOSA-N -1 3 377.360 2.996 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)ccc21 ZINC000826011080 608882643 /nfs/dbraw/zinc/88/26/43/608882643.db2.gz WEROBYSIVHEZEW-BAQGIRSFSA-N -1 3 377.379 2.811 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)ccc21 ZINC000826011080 608882645 /nfs/dbraw/zinc/88/26/45/608882645.db2.gz WEROBYSIVHEZEW-BAQGIRSFSA-N -1 3 377.379 2.811 20 30 GFEDHM C#CCCCCCC(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000823842247 609133518 /nfs/dbraw/zinc/13/35/18/609133518.db2.gz ZPUYQGUMNNXQDJ-UHFFFAOYSA-N -1 3 378.436 2.988 20 30 GFEDHM CCCCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825271894 609133790 /nfs/dbraw/zinc/13/37/90/609133790.db2.gz PPXDMDNARQJWRM-KRWDZBQOSA-N -1 3 384.484 2.839 20 30 GFEDHM CCCCCCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825271894 609133791 /nfs/dbraw/zinc/13/37/91/609133791.db2.gz PPXDMDNARQJWRM-KRWDZBQOSA-N -1 3 384.484 2.839 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824034482 609164219 /nfs/dbraw/zinc/16/42/19/609164219.db2.gz KPWHFHLBNFGTEF-ZDUSSCGKSA-N -1 3 377.408 2.821 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824034482 609164220 /nfs/dbraw/zinc/16/42/20/609164220.db2.gz KPWHFHLBNFGTEF-ZDUSSCGKSA-N -1 3 377.408 2.821 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1-c1ccc(C)cc1 ZINC000826281115 609186989 /nfs/dbraw/zinc/18/69/89/609186989.db2.gz FTKIMBIVZXNOSN-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1-c1ccc(C)cc1 ZINC000826281115 609186990 /nfs/dbraw/zinc/18/69/90/609186990.db2.gz FTKIMBIVZXNOSN-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000824757447 609243660 /nfs/dbraw/zinc/24/36/60/609243660.db2.gz XEFMXAFUTMAHRT-AWEZNQCLSA-N -1 3 389.415 2.933 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000824757447 609243662 /nfs/dbraw/zinc/24/36/62/609243662.db2.gz XEFMXAFUTMAHRT-AWEZNQCLSA-N -1 3 389.415 2.933 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000826178714 609271805 /nfs/dbraw/zinc/27/18/05/609271805.db2.gz JJRBEVXVNLTCGC-QPJJXVBHSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000826178714 609271806 /nfs/dbraw/zinc/27/18/06/609271806.db2.gz JJRBEVXVNLTCGC-QPJJXVBHSA-N -1 3 384.367 2.928 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826383016 609278153 /nfs/dbraw/zinc/27/81/53/609278153.db2.gz GKNMJYLYXVXBTA-UHFFFAOYSA-N -1 3 390.382 2.554 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826383016 609278155 /nfs/dbraw/zinc/27/81/55/609278155.db2.gz GKNMJYLYXVXBTA-UHFFFAOYSA-N -1 3 390.382 2.554 20 30 GFEDHM Fc1ccc(C#CCNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826373777 609281054 /nfs/dbraw/zinc/28/10/54/609281054.db2.gz ZAAGATYEQBPJAJ-UHFFFAOYSA-N -1 3 377.358 2.794 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)c1cc(F)ccc1C ZINC000823910228 609379622 /nfs/dbraw/zinc/37/96/22/609379622.db2.gz ZPDLKXJVYWBMHO-UHFFFAOYSA-N -1 3 379.395 2.712 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)c1cc(F)ccc1C ZINC000823910228 609379624 /nfs/dbraw/zinc/37/96/24/609379624.db2.gz ZPDLKXJVYWBMHO-UHFFFAOYSA-N -1 3 379.395 2.712 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000823975486 609405591 /nfs/dbraw/zinc/40/55/91/609405591.db2.gz YBCJADLVWOVZTL-NVNXTCNLSA-N -1 3 377.379 2.634 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000823975486 609405595 /nfs/dbraw/zinc/40/55/95/609405595.db2.gz YBCJADLVWOVZTL-NVNXTCNLSA-N -1 3 377.379 2.634 20 30 GFEDHM N#CCC1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380589 609423835 /nfs/dbraw/zinc/42/38/35/609423835.db2.gz GNCMZIDNNYTFPP-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM N#CCC1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380589 609423837 /nfs/dbraw/zinc/42/38/37/609423837.db2.gz GNCMZIDNNYTFPP-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824035517 609504606 /nfs/dbraw/zinc/50/46/06/609504606.db2.gz ZDMVUOCOCTWTQA-CHWSQXEVSA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824035517 609504609 /nfs/dbraw/zinc/50/46/09/609504609.db2.gz ZDMVUOCOCTWTQA-CHWSQXEVSA-N -1 3 377.408 2.597 20 30 GFEDHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)nn1-c1cccc(C#N)c1 ZINC000826261118 609509049 /nfs/dbraw/zinc/50/90/49/609509049.db2.gz RKUKGFRRVQSREI-UHFFFAOYSA-N -1 3 376.405 2.546 20 30 GFEDHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)nn1-c1cccc(C#N)c1 ZINC000826261118 609509052 /nfs/dbraw/zinc/50/90/52/609509052.db2.gz RKUKGFRRVQSREI-UHFFFAOYSA-N -1 3 376.405 2.546 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824034784 609512005 /nfs/dbraw/zinc/51/20/05/609512005.db2.gz PCZQOUUXUXJQTA-LBPRGKRZSA-N -1 3 388.391 2.820 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824034784 609512009 /nfs/dbraw/zinc/51/20/09/609512009.db2.gz PCZQOUUXUXJQTA-LBPRGKRZSA-N -1 3 388.391 2.820 20 30 GFEDHM Cc1cc(C(=O)N(CC#N)c2ccccc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257911 609541220 /nfs/dbraw/zinc/54/12/20/609541220.db2.gz SGFYYGFYOLWEQZ-UHFFFAOYSA-N -1 3 384.403 2.531 20 30 GFEDHM Cc1cc(C(=O)N(CC#N)c2ccccc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257911 609541223 /nfs/dbraw/zinc/54/12/23/609541223.db2.gz SGFYYGFYOLWEQZ-UHFFFAOYSA-N -1 3 384.403 2.531 20 30 GFEDHM C#CCOc1ccc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000823855924 609555146 /nfs/dbraw/zinc/55/51/46/609555146.db2.gz DZZNXXACOYTBIU-UHFFFAOYSA-N -1 3 399.414 2.625 20 30 GFEDHM C#CCOc1ccc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000823855924 609555150 /nfs/dbraw/zinc/55/51/50/609555150.db2.gz DZZNXXACOYTBIU-UHFFFAOYSA-N -1 3 399.414 2.625 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000826261695 609627516 /nfs/dbraw/zinc/62/75/16/609627516.db2.gz OIAZRVLKXSKKBI-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1 ZINC000826261695 609627518 /nfs/dbraw/zinc/62/75/18/609627518.db2.gz OIAZRVLKXSKKBI-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000819897777 660273090 /nfs/dbraw/zinc/27/30/90/660273090.db2.gz OYMNFPLYXDJLDH-WCBMZHEXSA-N -1 3 377.235 2.567 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831365160 660708823 /nfs/dbraw/zinc/70/88/23/660708823.db2.gz VWVGPTSLPVVMKY-BXKDBHETSA-N -1 3 395.706 2.757 20 30 GFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Br)n(C)n2)cc1 ZINC000835062144 660839787 /nfs/dbraw/zinc/83/97/87/660839787.db2.gz MHYGTJNKKAUTAP-GFCCVEGCSA-N -1 3 375.226 2.706 20 30 GFEDHM C=CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000837048583 660967570 /nfs/dbraw/zinc/96/75/70/660967570.db2.gz UYBHOZNJUARDEA-CYBMUJFWSA-N -1 3 381.270 2.844 20 30 GFEDHM C=CCN(CC=C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000058045220 654813961 /nfs/dbraw/zinc/81/39/61/654813961.db2.gz MMDFQXIRHDRHRB-UHFFFAOYSA-N -1 3 377.293 2.862 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)o1 ZINC000066856168 654918508 /nfs/dbraw/zinc/91/85/08/654918508.db2.gz JRIYNVPWNMLZKC-LLVKDONJSA-N -1 3 379.463 2.834 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCc2cccs2)ccc1F ZINC000173337725 655169223 /nfs/dbraw/zinc/16/92/23/655169223.db2.gz WKYLHPIMDJVMAK-UHFFFAOYSA-N -1 3 382.482 2.666 20 30 GFEDHM C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC000179461747 655313932 /nfs/dbraw/zinc/31/39/32/655313932.db2.gz ZDPMLPZCUCCBFA-UHFFFAOYSA-N -1 3 384.816 2.901 20 30 GFEDHM C=CC[C@@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000281548901 655334863 /nfs/dbraw/zinc/33/48/63/655334863.db2.gz NXMHVANPIVOJRS-GFCCVEGCSA-N -1 3 378.491 2.610 20 30 GFEDHM C[C@@H]([N-]C(=O)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475436 655376452 /nfs/dbraw/zinc/37/64/52/655376452.db2.gz YXNHBXDGRNBPKJ-ANLVUFKYSA-N -1 3 378.219 2.751 20 30 GFEDHM CCS(=O)(=O)c1cc(Cl)cc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000840709823 661177490 /nfs/dbraw/zinc/17/74/90/661177490.db2.gz GIGZNAOTIUTUBH-DJKKODMXSA-N -1 3 382.869 2.654 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000759152145 655949280 /nfs/dbraw/zinc/94/92/80/655949280.db2.gz ZIWNPWBGVXQLMW-NSHDSACASA-N -1 3 379.251 2.813 20 30 GFEDHM C=CCCC(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000761410616 656014738 /nfs/dbraw/zinc/01/47/38/656014738.db2.gz LEOFJDQADVPBCY-UHFFFAOYSA-N -1 3 380.249 2.594 20 30 GFEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000774783750 656555506 /nfs/dbraw/zinc/55/55/06/656555506.db2.gz CPSGQKPSPPZYFT-VIFPVBQESA-N -1 3 398.706 2.574 20 30 GFEDHM C=CCN1CC[C@@H](OC(=O)c2n[n-]c(-c3ccccc3)c2Br)C1=O ZINC000798637027 659130329 /nfs/dbraw/zinc/13/03/29/659130329.db2.gz PRAAHMFBIHAUTK-GFCCVEGCSA-N -1 3 390.237 2.783 20 30 GFEDHM C#CCCCS(=O)(=O)[N-][C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000805033703 659722808 /nfs/dbraw/zinc/72/28/08/659722808.db2.gz FAHVDXVNOZFBRF-OAHLLOKOSA-N -1 3 392.304 2.800 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCSCC#N)c1Cl ZINC000805487015 659786054 /nfs/dbraw/zinc/78/60/54/659786054.db2.gz ZREIRKGXPVTGCX-UHFFFAOYSA-N -1 3 397.305 2.705 20 30 GFEDHM CCCCCCCNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000862359859 662282442 /nfs/dbraw/zinc/28/24/42/662282442.db2.gz RSDKDPJVLJLBGC-ZDUSSCGKSA-N -1 3 375.922 2.879 20 30 GFEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC[C@H]1CC1(Cl)Cl)C(=O)OCC ZINC000882471284 663028555 /nfs/dbraw/zinc/02/85/55/663028555.db2.gz NOWVXUQIDPHUJV-VHSXEESVSA-N -1 3 378.705 2.564 20 30 GFEDHM C=CC[C@@H]1CCN1C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000890555258 663305202 /nfs/dbraw/zinc/30/52/02/663305202.db2.gz GUZBYRUCFOMVHW-LLVKDONJSA-N -1 3 394.212 2.923 20 30 GFEDHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)S(=O)(=O)C1CCOCC1 ZINC000901378588 663734788 /nfs/dbraw/zinc/73/47/88/663734788.db2.gz NGJUIVIWJJAFFJ-SNVBAGLBSA-N -1 3 396.292 2.694 20 30 GFEDHM O=C(COc1ccccc1)NCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379587 663734991 /nfs/dbraw/zinc/73/49/91/663734991.db2.gz JCOOFLZBQQCJHZ-UHFFFAOYSA-N -1 3 383.231 2.906 20 30 GFEDHM N#Cc1cccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1Br ZINC000901935577 663751627 /nfs/dbraw/zinc/75/16/27/663751627.db2.gz KWPSZOUJCBLQMR-UHFFFAOYSA-N -1 3 381.255 2.654 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000128748599 551351744 /nfs/dbraw/zinc/35/17/44/551351744.db2.gz XVDUOAHJGBARIV-UHFFFAOYSA-N -1 3 386.842 2.572 20 30 GFEDHM N#CCc1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000156249163 551518248 /nfs/dbraw/zinc/51/82/48/551518248.db2.gz BDGDZYKHJCCXLW-UHFFFAOYSA-N -1 3 398.897 2.568 20 30 GFEDHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(C#N)CC2)cc1Br ZINC000160976905 551588769 /nfs/dbraw/zinc/58/87/69/551588769.db2.gz MBJZLMKHAGDTEE-UHFFFAOYSA-N -1 3 394.088 2.855 20 30 GFEDHM N#CCCCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000171594931 551658915 /nfs/dbraw/zinc/65/89/15/551658915.db2.gz DSZSGHZXFHWUCC-UHFFFAOYSA-N -1 3 390.292 2.858 20 30 GFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnc1Br ZINC000180498326 552228113 /nfs/dbraw/zinc/22/81/13/552228113.db2.gz IZJFICVXFPAPJK-UHFFFAOYSA-N -1 3 389.253 2.901 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)c1 ZINC000186232610 552382931 /nfs/dbraw/zinc/38/29/31/552382931.db2.gz CLOSHVUDLTXVGD-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c1 ZINC000187021519 552404218 /nfs/dbraw/zinc/40/42/18/552404218.db2.gz JKSLRTFOKWUCIL-UHFFFAOYSA-N -1 3 391.758 2.736 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccccc1 ZINC000245675915 553095170 /nfs/dbraw/zinc/09/51/70/553095170.db2.gz TXHSBWDEOFSVPV-SJLPKXTDSA-N -1 3 375.881 2.935 20 30 GFEDHM Cn1cc([C@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F)cn1 ZINC000278420763 563254558 /nfs/dbraw/zinc/25/45/58/563254558.db2.gz SWMKBEIVYGIHKM-VIFPVBQESA-N -1 3 383.239 2.744 20 30 GFEDHM O=S(=O)([N-]CCOCC(F)(F)C(F)F)c1cc(F)ccc1OC(F)F ZINC000420734520 563281142 /nfs/dbraw/zinc/28/11/42/563281142.db2.gz WEWAUJLVHZJBGU-UHFFFAOYSA-N -1 3 399.284 2.622 20 30 GFEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000373552748 563342329 /nfs/dbraw/zinc/34/23/29/563342329.db2.gz VQSHVTUHCWJDFH-LLVKDONJSA-N -1 3 379.873 2.690 20 30 GFEDHM N#Cc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000302229382 563423925 /nfs/dbraw/zinc/42/39/25/563423925.db2.gz XVGPJWBEJVARNZ-UHFFFAOYSA-N -1 3 386.842 2.572 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000329186889 563475049 /nfs/dbraw/zinc/47/50/49/563475049.db2.gz AYFHDEWRCKSSQN-VQISRLSMSA-N -1 3 397.294 2.557 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000329186888 563475087 /nfs/dbraw/zinc/47/50/87/563475087.db2.gz AYFHDEWRCKSSQN-VCTAVGKDSA-N -1 3 397.294 2.557 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1OC ZINC000410384124 563588534 /nfs/dbraw/zinc/58/85/34/563588534.db2.gz RMNSXWPKRCSFMZ-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1OC ZINC000410387680 563589190 /nfs/dbraw/zinc/58/91/90/563589190.db2.gz ZXJUFNWLZZOYCR-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1Br ZINC000432770015 563593241 /nfs/dbraw/zinc/59/32/41/563593241.db2.gz URMGUEPLVPZJPY-UHFFFAOYSA-N -1 3 385.214 2.753 20 30 GFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)sc1C ZINC000433862145 563621180 /nfs/dbraw/zinc/62/11/80/563621180.db2.gz IZKCWSGUCXNWLS-UHFFFAOYSA-N -1 3 386.296 2.873 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)o1 ZINC000288621892 563650594 /nfs/dbraw/zinc/65/05/94/563650594.db2.gz QPPNEZHHNHZPQT-UHFFFAOYSA-N -1 3 377.491 2.543 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)s1 ZINC000435438903 563651219 /nfs/dbraw/zinc/65/12/19/563651219.db2.gz QKQJOVVWUJRPIH-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435581589 563653851 /nfs/dbraw/zinc/65/38/51/563653851.db2.gz WOBKYPLCZPWTPF-QMTHXVAHSA-N -1 3 378.263 2.848 20 30 GFEDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443046751 563789234 /nfs/dbraw/zinc/78/92/34/563789234.db2.gz JQHFIKQYFGZCME-UHFFFAOYSA-N -1 3 377.853 2.691 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](c1ccco1)N1CCCC1 ZINC000443090831 563791013 /nfs/dbraw/zinc/79/10/13/563791013.db2.gz CJDIWAOGLYZQFV-OAHLLOKOSA-N -1 3 379.869 2.920 20 30 GFEDHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C#N)nc1C ZINC000443374240 563803291 /nfs/dbraw/zinc/80/32/91/563803291.db2.gz PQNZJXSRZREBEI-LLVKDONJSA-N -1 3 379.463 2.539 20 30 GFEDHM CN1C[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)Cc2ccccc21 ZINC000444289951 563827206 /nfs/dbraw/zinc/82/72/06/563827206.db2.gz SYLVHLGKTCHGKS-CQSZACIVSA-N -1 3 375.881 2.799 20 30 GFEDHM CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000368143019 563865274 /nfs/dbraw/zinc/86/52/74/563865274.db2.gz OXPBWPMBVKVGRR-AWEZNQCLSA-N -1 3 383.901 2.695 20 30 GFEDHM C=CCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000447937714 563891204 /nfs/dbraw/zinc/89/12/04/563891204.db2.gz BTWOASWOPNDKCI-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000506943734 564214396 /nfs/dbraw/zinc/21/43/96/564214396.db2.gz QBVKYFFUQVXCNZ-UHFFFAOYSA-N -1 3 376.463 2.576 20 30 GFEDHM N#CCc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000508026221 564250543 /nfs/dbraw/zinc/25/05/43/564250543.db2.gz MNVXOQLDMGTMMX-UHFFFAOYSA-N -1 3 398.271 2.976 20 30 GFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000508090507 564253818 /nfs/dbraw/zinc/25/38/18/564253818.db2.gz WQXRYJPTEWGANG-GFCCVEGCSA-N -1 3 381.292 2.902 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000508140674 564256609 /nfs/dbraw/zinc/25/66/09/564256609.db2.gz ADRHKUXKZYGJDC-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)OCC ZINC000451990817 564377131 /nfs/dbraw/zinc/37/71/31/564377131.db2.gz JZPPIGQCLFPDIN-GFCCVEGCSA-N -1 3 394.262 2.764 20 30 GFEDHM COc1cc(Br)c(S(=O)(=O)[N-]CC2(C#N)CC2)cc1Cl ZINC000569997399 564487060 /nfs/dbraw/zinc/48/70/60/564487060.db2.gz QWUHTAQXXWBLJW-UHFFFAOYSA-N -1 3 379.663 2.693 20 30 GFEDHM O=C(C[S@](=O)Cc1cc(F)c(C(F)(F)F)cc1F)[N-]CC(F)(F)F ZINC000488742077 564718759 /nfs/dbraw/zinc/71/87/59/564718759.db2.gz RGXCBQBPBBKRSL-XMMPIXPASA-N -1 3 383.260 2.911 20 30 GFEDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553426440 564720883 /nfs/dbraw/zinc/72/08/83/564720883.db2.gz CIGXHKSTHGWCNR-OAHLLOKOSA-N -1 3 395.278 2.641 20 30 GFEDHM O=C(CS(=O)(=O)Cc1cc(F)c(C(F)(F)F)cc1F)[N-]CC(F)(F)F ZINC000489054844 564728080 /nfs/dbraw/zinc/72/80/80/564728080.db2.gz RCCUBPIZZQJBBO-UHFFFAOYSA-N -1 3 399.259 2.577 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000553577145 564728565 /nfs/dbraw/zinc/72/85/65/564728565.db2.gz XQDGRVCZVKBKSJ-JTQLQIEISA-N -1 3 375.313 2.742 20 30 GFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C[S@](C)=O)ccc1Cl ZINC000461113392 564790098 /nfs/dbraw/zinc/79/00/98/564790098.db2.gz ZMYWXNCQCGNGCM-DEOSSOPVSA-N -1 3 398.893 2.900 20 30 GFEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529424994 564834990 /nfs/dbraw/zinc/83/49/90/564834990.db2.gz IVFYAQUCUXTCMT-QWHCGFSZSA-N -1 3 375.252 2.549 20 30 GFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000462395272 564837315 /nfs/dbraw/zinc/83/73/15/564837315.db2.gz TXDSUPRKNMOEEY-UHFFFAOYSA-N -1 3 399.241 2.817 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1Cl ZINC000557859503 564882921 /nfs/dbraw/zinc/88/29/21/564882921.db2.gz UMLOMBDUWLZRJH-LBPRGKRZSA-N -1 3 385.272 2.919 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000503474833 565020736 /nfs/dbraw/zinc/02/07/36/565020736.db2.gz YOFUEMFGPNAIBX-MRXNPFEDSA-N -1 3 377.897 2.663 20 30 GFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000614493818 565116568 /nfs/dbraw/zinc/11/65/68/565116568.db2.gz LXMYHFKDUOASSS-DZGCQCFKSA-N -1 3 386.901 2.972 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CO)c1ccc(Cl)cc1 ZINC000588144275 565128694 /nfs/dbraw/zinc/12/86/94/565128694.db2.gz CMTYHLBHLCRDST-GFCCVEGCSA-N -1 3 385.272 2.919 20 30 GFEDHM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000589220147 565156520 /nfs/dbraw/zinc/15/65/20/565156520.db2.gz KMNVRGSIQLENHB-UHFFFAOYSA-N -1 3 378.475 2.801 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000593572821 565344183 /nfs/dbraw/zinc/34/41/83/565344183.db2.gz LYQDNSBUYILESD-SNVBAGLBSA-N -1 3 385.873 2.969 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000593585501 565345271 /nfs/dbraw/zinc/34/52/71/565345271.db2.gz NXJBCPIVWCRZKQ-OAHLLOKOSA-N -1 3 393.559 2.516 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594483346 565394932 /nfs/dbraw/zinc/39/49/32/565394932.db2.gz AOGLXMMMIRSZBM-HOCLYGCPSA-N -1 3 399.310 2.947 20 30 GFEDHM COc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611538979 566134667 /nfs/dbraw/zinc/13/46/67/566134667.db2.gz BGILWMOHJOGCIT-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM N#C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737673854 598826344 /nfs/dbraw/zinc/82/63/44/598826344.db2.gz DQDAPGDBNSQSSC-OAHLLOKOSA-N -1 3 384.852 2.993 20 30 GFEDHM N#C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000737673854 598826345 /nfs/dbraw/zinc/82/63/45/598826345.db2.gz DQDAPGDBNSQSSC-OAHLLOKOSA-N -1 3 384.852 2.993 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736309904 598877001 /nfs/dbraw/zinc/87/70/01/598877001.db2.gz UIEUZZCVQCREIV-QGZVFWFLSA-N -1 3 391.435 2.547 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736309904 598877003 /nfs/dbraw/zinc/87/70/03/598877003.db2.gz UIEUZZCVQCREIV-QGZVFWFLSA-N -1 3 391.435 2.547 20 30 GFEDHM N#Cc1cc(NC(=O)CSc2ccc3c(c2)CCC3)ccc1-c1nnn[n-]1 ZINC000737709371 598915591 /nfs/dbraw/zinc/91/55/91/598915591.db2.gz NPMFEPLJOPPBPI-UHFFFAOYSA-N -1 3 376.445 2.958 20 30 GFEDHM N#Cc1cc(NC(=O)CSc2ccc3c(c2)CCC3)ccc1-c1nn[n-]n1 ZINC000737709371 598915592 /nfs/dbraw/zinc/91/55/92/598915592.db2.gz NPMFEPLJOPPBPI-UHFFFAOYSA-N -1 3 376.445 2.958 20 30 GFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Br)o2)cc1-c1nnn[n-]1 ZINC000737716722 598916015 /nfs/dbraw/zinc/91/60/15/598916015.db2.gz UQXIRLJQUDZYEO-GQCTYLIASA-N -1 3 385.181 2.746 20 30 GFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Br)o2)cc1-c1nn[n-]n1 ZINC000737716722 598916017 /nfs/dbraw/zinc/91/60/17/598916017.db2.gz UQXIRLJQUDZYEO-GQCTYLIASA-N -1 3 385.181 2.746 20 30 GFEDHM COc1ccc(SCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737116919 598917135 /nfs/dbraw/zinc/91/71/35/598917135.db2.gz UNQLLHFQPIWBRM-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM COc1ccc(SCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737116919 598917136 /nfs/dbraw/zinc/91/71/36/598917136.db2.gz UNQLLHFQPIWBRM-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1-c1nnn[n-]1 ZINC000737719521 598921028 /nfs/dbraw/zinc/92/10/28/598921028.db2.gz RCTQURUVMAETQH-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1-c1nn[n-]n1 ZINC000737719521 598921029 /nfs/dbraw/zinc/92/10/29/598921029.db2.gz RCTQURUVMAETQH-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM CCCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000736497656 598925149 /nfs/dbraw/zinc/92/51/49/598925149.db2.gz ITJOPFOTPGXDHO-UHFFFAOYSA-N -1 3 377.408 2.782 20 30 GFEDHM CCCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000736497656 598925150 /nfs/dbraw/zinc/92/51/50/598925150.db2.gz ITJOPFOTPGXDHO-UHFFFAOYSA-N -1 3 377.408 2.782 20 30 GFEDHM CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OCC ZINC000736636939 598927971 /nfs/dbraw/zinc/92/79/71/598927971.db2.gz MKSPKGQWECKIFI-UHFFFAOYSA-N -1 3 378.392 2.788 20 30 GFEDHM CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OCC ZINC000736636939 598927972 /nfs/dbraw/zinc/92/79/72/598927972.db2.gz MKSPKGQWECKIFI-UHFFFAOYSA-N -1 3 378.392 2.788 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1-c1nnn[n-]1 ZINC000737715876 598929591 /nfs/dbraw/zinc/92/95/91/598929591.db2.gz GNBSBXINAJMWEE-UHFFFAOYSA-N -1 3 377.389 2.636 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1-c1nn[n-]n1 ZINC000737715876 598929593 /nfs/dbraw/zinc/92/95/93/598929593.db2.gz GNBSBXINAJMWEE-UHFFFAOYSA-N -1 3 377.389 2.636 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cs1)C1CC1 ZINC000735462440 598977809 /nfs/dbraw/zinc/97/78/09/598977809.db2.gz YTBWUXKWWXZDQV-YVMONPNESA-N -1 3 380.433 2.735 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cs1)C1CC1 ZINC000735462440 598977810 /nfs/dbraw/zinc/97/78/10/598977810.db2.gz YTBWUXKWWXZDQV-YVMONPNESA-N -1 3 380.433 2.735 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735689802 599031148 /nfs/dbraw/zinc/03/11/48/599031148.db2.gz BMCUHLVTBDLHNV-SFHVURJKSA-N -1 3 376.420 2.724 20 30 GFEDHM Cc1ccccc1-c1cnc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)o1 ZINC000737417024 599162452 /nfs/dbraw/zinc/16/24/52/599162452.db2.gz DSJBJURZYCBKGX-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM Cc1ccccc1-c1cnc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)o1 ZINC000737417024 599162454 /nfs/dbraw/zinc/16/24/54/599162454.db2.gz DSJBJURZYCBKGX-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000736488720 599277357 /nfs/dbraw/zinc/27/73/57/599277357.db2.gz RLKHVIKFENHFFE-ZDUSSCGKSA-N -1 3 391.435 2.966 20 30 GFEDHM N#Cc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737730425 598256018 /nfs/dbraw/zinc/25/60/18/598256018.db2.gz KLGQPYMQQKYCRW-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM N#Cc1cccc(NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737730425 598256019 /nfs/dbraw/zinc/25/60/19/598256019.db2.gz KLGQPYMQQKYCRW-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM COC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000736951545 598313961 /nfs/dbraw/zinc/31/39/61/598313961.db2.gz PLEDZVPDHJHUKC-UHFFFAOYSA-N -1 3 380.286 2.711 20 30 GFEDHM COC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000736951545 598313963 /nfs/dbraw/zinc/31/39/63/598313963.db2.gz PLEDZVPDHJHUKC-UHFFFAOYSA-N -1 3 380.286 2.711 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000736183357 598382617 /nfs/dbraw/zinc/38/26/17/598382617.db2.gz KPUMLDNBSXXZDQ-NHYWBVRUSA-N -1 3 382.811 2.668 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000736183357 598382618 /nfs/dbraw/zinc/38/26/18/598382618.db2.gz KPUMLDNBSXXZDQ-NHYWBVRUSA-N -1 3 382.811 2.668 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@](C)(OC)c1ccccc1 ZINC000735419678 598394980 /nfs/dbraw/zinc/39/49/80/598394980.db2.gz YYLBKZRUXXVIAP-NRFANRHFSA-N -1 3 377.448 2.943 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@](C)(OC)c1ccccc1 ZINC000735419678 598394981 /nfs/dbraw/zinc/39/49/81/598394981.db2.gz YYLBKZRUXXVIAP-NRFANRHFSA-N -1 3 377.448 2.943 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000735647872 598535634 /nfs/dbraw/zinc/53/56/34/598535634.db2.gz GAXRSRJFDZXKTB-KRWDZBQOSA-N -1 3 390.447 2.924 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000735647872 598535636 /nfs/dbraw/zinc/53/56/36/598535636.db2.gz GAXRSRJFDZXKTB-KRWDZBQOSA-N -1 3 390.447 2.924 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000737673478 598537058 /nfs/dbraw/zinc/53/70/58/598537058.db2.gz AUAUZSOSJXCVFP-AWEZNQCLSA-N -1 3 388.309 2.760 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000737673478 598537060 /nfs/dbraw/zinc/53/70/60/598537060.db2.gz AUAUZSOSJXCVFP-AWEZNQCLSA-N -1 3 388.309 2.760 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCc1c(F)cccc1Cl ZINC000737704456 598568024 /nfs/dbraw/zinc/56/80/24/598568024.db2.gz GCZWKQGUAKYRFR-UHFFFAOYSA-N -1 3 375.820 2.843 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCc1c(F)cccc1Cl ZINC000737704456 598568026 /nfs/dbraw/zinc/56/80/26/598568026.db2.gz GCZWKQGUAKYRFR-UHFFFAOYSA-N -1 3 375.820 2.843 20 30 GFEDHM N#Cc1ccc(CNC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737718269 598650581 /nfs/dbraw/zinc/65/05/81/598650581.db2.gz NDBFMZHXYRBPGL-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM N#Cc1ccc(CNC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737718269 598650582 /nfs/dbraw/zinc/65/05/82/598650582.db2.gz NDBFMZHXYRBPGL-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735389880 598659549 /nfs/dbraw/zinc/65/95/49/598659549.db2.gz LVFFNVPNKARYFL-IBGZPJMESA-N -1 3 375.432 2.914 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735389880 598659551 /nfs/dbraw/zinc/65/95/51/598659551.db2.gz LVFFNVPNKARYFL-IBGZPJMESA-N -1 3 375.432 2.914 20 30 GFEDHM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1(C#N)CCC1 ZINC000736742625 598685243 /nfs/dbraw/zinc/68/52/43/598685243.db2.gz RIWWTEHNGSKPBF-UHFFFAOYSA-N -1 3 375.392 2.572 20 30 GFEDHM CN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1(C#N)CCC1 ZINC000736742625 598685245 /nfs/dbraw/zinc/68/52/45/598685245.db2.gz RIWWTEHNGSKPBF-UHFFFAOYSA-N -1 3 375.392 2.572 20 30 GFEDHM CC(C)N(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735859307 598686637 /nfs/dbraw/zinc/68/66/37/598686637.db2.gz REKLPPAYPBVKPP-UHFFFAOYSA-N -1 3 377.408 2.818 20 30 GFEDHM CC(C)N(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735859307 598686638 /nfs/dbraw/zinc/68/66/38/598686638.db2.gz REKLPPAYPBVKPP-UHFFFAOYSA-N -1 3 377.408 2.818 20 30 GFEDHM N#Cc1ccc(SCC(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000737723579 598713895 /nfs/dbraw/zinc/71/38/95/598713895.db2.gz XDSWVNDZUFXHMC-UHFFFAOYSA-N -1 3 390.428 2.827 20 30 GFEDHM N#Cc1ccc(SCC(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000737723579 598713897 /nfs/dbraw/zinc/71/38/97/598713897.db2.gz XDSWVNDZUFXHMC-UHFFFAOYSA-N -1 3 390.428 2.827 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735436521 598716236 /nfs/dbraw/zinc/71/62/36/598716236.db2.gz MAYLMVKXOYTOFF-UHFFFAOYSA-N -1 3 378.436 2.773 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735436521 598716238 /nfs/dbraw/zinc/71/62/38/598716238.db2.gz MAYLMVKXOYTOFF-UHFFFAOYSA-N -1 3 378.436 2.773 20 30 GFEDHM C#CCCn1c(-c2ccc(-c3nnn[n-]3)cc2)csc1=Nc1cnn(CC)c1 ZINC000735374137 598819268 /nfs/dbraw/zinc/81/92/68/598819268.db2.gz DCKDFQUHMUPXQZ-UHFFFAOYSA-N -1 3 390.476 2.869 20 30 GFEDHM C#CCCn1c(-c2ccc(-c3nn[n-]n3)cc2)csc1=Nc1cnn(CC)c1 ZINC000735374137 598819269 /nfs/dbraw/zinc/81/92/69/598819269.db2.gz DCKDFQUHMUPXQZ-UHFFFAOYSA-N -1 3 390.476 2.869 20 30 GFEDHM Fc1nc(F)c(F)c(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)c1F ZINC000822795937 599335399 /nfs/dbraw/zinc/33/53/99/599335399.db2.gz JFAQDORBCQHMMA-UHFFFAOYSA-N -1 3 377.305 2.971 20 30 GFEDHM Fc1nc(F)c(F)c(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)c1F ZINC000822795937 599335400 /nfs/dbraw/zinc/33/54/00/599335400.db2.gz JFAQDORBCQHMMA-UHFFFAOYSA-N -1 3 377.305 2.971 20 30 GFEDHM CCO[C@H](C)c1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cs1 ZINC000736617806 599475203 /nfs/dbraw/zinc/47/52/03/599475203.db2.gz RYVMAJUZNVRZIL-MRVPVSSYSA-N -1 3 388.482 2.562 20 30 GFEDHM CCO[C@H](C)c1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1 ZINC000736617806 599475206 /nfs/dbraw/zinc/47/52/06/599475206.db2.gz RYVMAJUZNVRZIL-MRVPVSSYSA-N -1 3 388.482 2.562 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822842798 599652266 /nfs/dbraw/zinc/65/22/66/599652266.db2.gz ZKTCRGOCISVKES-CMDGGOBGSA-N -1 3 399.370 2.545 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822842798 599652267 /nfs/dbraw/zinc/65/22/67/599652267.db2.gz ZKTCRGOCISVKES-CMDGGOBGSA-N -1 3 399.370 2.545 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000819744147 599676689 /nfs/dbraw/zinc/67/66/89/599676689.db2.gz XWMAQKUHLDFTDM-RCCFBDPRSA-N -1 3 396.495 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000819744147 599676690 /nfs/dbraw/zinc/67/66/90/599676690.db2.gz XWMAQKUHLDFTDM-RCCFBDPRSA-N -1 3 396.495 2.768 20 30 GFEDHM N#CC(C(=O)CCSCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000739074945 599799527 /nfs/dbraw/zinc/79/95/27/599799527.db2.gz NUNUFCNZLIXMCQ-VIFPVBQESA-N -1 3 375.233 2.849 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000820161668 607398576 /nfs/dbraw/zinc/39/85/76/607398576.db2.gz ZLKNCEYTSACRIR-ZDUSSCGKSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000820161668 607398577 /nfs/dbraw/zinc/39/85/77/607398577.db2.gz ZLKNCEYTSACRIR-ZDUSSCGKSA-N -1 3 392.419 2.932 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C#N ZINC000820169644 607426083 /nfs/dbraw/zinc/42/60/83/607426083.db2.gz LUEYKESBXYKYPW-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C#N ZINC000820169644 607426086 /nfs/dbraw/zinc/42/60/86/607426086.db2.gz LUEYKESBXYKYPW-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM N#Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826384852 607523580 /nfs/dbraw/zinc/52/35/80/607523580.db2.gz LZVSXDSNACHQAX-UHFFFAOYSA-N -1 3 397.782 2.871 20 30 GFEDHM N#Cc1ccc(CCC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826384852 607523581 /nfs/dbraw/zinc/52/35/81/607523581.db2.gz LZVSXDSNACHQAX-UHFFFAOYSA-N -1 3 397.782 2.871 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739009916 602377301 /nfs/dbraw/zinc/37/73/01/602377301.db2.gz MUDJAXXWVKNULC-GUTXKFCHSA-N -1 3 386.477 2.983 20 30 GFEDHM CN(C[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739637696 602379752 /nfs/dbraw/zinc/37/97/52/602379752.db2.gz QSPXCYHKJZIDEF-KGLIPLIRSA-N -1 3 386.477 2.794 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739605907 602484534 /nfs/dbraw/zinc/48/45/34/602484534.db2.gz IHXZAVGUBWSNIB-UHFFFAOYSA-N -1 3 384.411 2.991 20 30 GFEDHM C=CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1ccncc1 ZINC000823888614 607615849 /nfs/dbraw/zinc/61/58/49/607615849.db2.gz RTZFFBQCONINLU-AWEZNQCLSA-N -1 3 390.856 2.511 20 30 GFEDHM N#Cc1c(NC(=O)CCN2CCC[C@H]2CNC(=O)[O-])sc2c1CCCC2 ZINC000831114730 603574530 /nfs/dbraw/zinc/57/45/30/603574530.db2.gz SIGMRQHKUCTMSZ-LBPRGKRZSA-N -1 3 376.482 2.559 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829134977 604221871 /nfs/dbraw/zinc/22/18/71/604221871.db2.gz NLDONTIUMBEUGM-IJLUTSLNSA-N -1 3 393.827 2.741 20 30 GFEDHM CCOc1ccc(C2N=NC(=S)N2N=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821401265 606203981 /nfs/dbraw/zinc/20/39/81/606203981.db2.gz UGEQDBDQQWIUAK-UHFFFAOYSA-N -1 3 398.477 2.756 20 30 GFEDHM CCOc1ccc(C2N=NC(=S)N2N=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821401265 606203982 /nfs/dbraw/zinc/20/39/82/606203982.db2.gz UGEQDBDQQWIUAK-UHFFFAOYSA-N -1 3 398.477 2.756 20 30 GFEDHM S=C(NCCc1ccc(Cl)cc1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823732643 606205300 /nfs/dbraw/zinc/20/53/00/606205300.db2.gz NHFNCQYNBLNPGW-UHFFFAOYSA-N -1 3 391.913 2.622 20 30 GFEDHM S=C(NCCc1ccc(Cl)cc1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823732643 606205301 /nfs/dbraw/zinc/20/53/01/606205301.db2.gz NHFNCQYNBLNPGW-UHFFFAOYSA-N -1 3 391.913 2.622 20 30 GFEDHM N#Cc1cc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)ccc1Cl ZINC000822823147 606244035 /nfs/dbraw/zinc/24/40/35/606244035.db2.gz LTVYMZFRYWYVSC-ZDUSSCGKSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1cc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)ccc1Cl ZINC000822823147 606244036 /nfs/dbraw/zinc/24/40/36/606244036.db2.gz LTVYMZFRYWYVSC-ZDUSSCGKSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822833364 606339731 /nfs/dbraw/zinc/33/97/31/606339731.db2.gz OOSBYGMDAQRDGY-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822833364 606339733 /nfs/dbraw/zinc/33/97/33/606339733.db2.gz OOSBYGMDAQRDGY-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821334040 606390403 /nfs/dbraw/zinc/39/04/03/606390403.db2.gz FZBHAEOPKSYOMQ-VURMDHGXSA-N -1 3 384.417 2.766 20 30 GFEDHM N=C(NOC(=O)CCCSc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000822846259 606429105 /nfs/dbraw/zinc/42/91/05/606429105.db2.gz SJATXOYSFCCLOG-UHFFFAOYSA-N -1 3 388.478 2.664 20 30 GFEDHM N=C(NOC(=O)CCCSc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000822846259 606429107 /nfs/dbraw/zinc/42/91/07/606429107.db2.gz SJATXOYSFCCLOG-UHFFFAOYSA-N -1 3 388.478 2.664 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822801488 606445620 /nfs/dbraw/zinc/44/56/20/606445620.db2.gz JURCATSEUCHICV-RTBURBONSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822801488 606445621 /nfs/dbraw/zinc/44/56/21/606445621.db2.gz JURCATSEUCHICV-RTBURBONSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822801983 606572692 /nfs/dbraw/zinc/57/26/92/606572692.db2.gz SQXCLUFMWRFAGG-NSHDSACASA-N -1 3 394.338 2.821 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000822801983 606572693 /nfs/dbraw/zinc/57/26/93/606572693.db2.gz SQXCLUFMWRFAGG-NSHDSACASA-N -1 3 394.338 2.821 20 30 GFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819745443 606674857 /nfs/dbraw/zinc/67/48/57/606674857.db2.gz DDGTWLSKVAWHHF-UHFFFAOYSA-N -1 3 380.358 2.845 20 30 GFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819745443 606674858 /nfs/dbraw/zinc/67/48/58/606674858.db2.gz DDGTWLSKVAWHHF-UHFFFAOYSA-N -1 3 380.358 2.845 20 30 GFEDHM CCOc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821417775 606701558 /nfs/dbraw/zinc/70/15/58/606701558.db2.gz RLRGOKCXARGCMB-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM CCOc1ccc(C#N)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821417775 606701560 /nfs/dbraw/zinc/70/15/60/606701560.db2.gz RLRGOKCXARGCMB-UHFFFAOYSA-N -1 3 388.391 2.799 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819723123 606803873 /nfs/dbraw/zinc/80/38/73/606803873.db2.gz ZNZFILLYTNBXIU-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819723123 606803874 /nfs/dbraw/zinc/80/38/74/606803874.db2.gz ZNZFILLYTNBXIU-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819722501 606804877 /nfs/dbraw/zinc/80/48/77/606804877.db2.gz KQIDAIWMHRERNE-UHFFFAOYSA-N -1 3 395.423 2.768 20 30 GFEDHM C=C(C)COCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819722501 606804878 /nfs/dbraw/zinc/80/48/78/606804878.db2.gz KQIDAIWMHRERNE-UHFFFAOYSA-N -1 3 395.423 2.768 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821641304 606933151 /nfs/dbraw/zinc/93/31/51/606933151.db2.gz ZSHVOPDTJZRYMA-YKWSONSWSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821641304 606933152 /nfs/dbraw/zinc/93/31/52/606933152.db2.gz ZSHVOPDTJZRYMA-YKWSONSWSA-N -1 3 378.388 2.703 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000821342770 607039297 /nfs/dbraw/zinc/03/92/97/607039297.db2.gz GUXMFZRUWFIYFA-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000821342770 607039299 /nfs/dbraw/zinc/03/92/99/607039299.db2.gz GUXMFZRUWFIYFA-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM N#Cc1cc(Br)ccc1OCCOc1ccccc1-c1nnn[n-]1 ZINC000822819330 607042230 /nfs/dbraw/zinc/04/22/30/607042230.db2.gz PWTIQRIYWVDXFK-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM N#Cc1cc(Br)ccc1OCCOc1ccccc1-c1nn[n-]n1 ZINC000822819330 607042231 /nfs/dbraw/zinc/04/22/31/607042231.db2.gz PWTIQRIYWVDXFK-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM CC1CC(C#N)(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820641122 607145510 /nfs/dbraw/zinc/14/55/10/607145510.db2.gz AGSYAYPQHBXDQB-UHFFFAOYSA-N -1 3 379.449 2.792 20 30 GFEDHM CC1CC(C#N)(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820641122 607145511 /nfs/dbraw/zinc/14/55/11/607145511.db2.gz AGSYAYPQHBXDQB-UHFFFAOYSA-N -1 3 379.449 2.792 20 30 GFEDHM COc1cc([N+](=O)[O-])ccc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000821727085 607149193 /nfs/dbraw/zinc/14/91/93/607149193.db2.gz BKOJUQRHEXRLLP-UHFFFAOYSA-N -1 3 378.352 2.711 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1Cn1cccn1 ZINC000819745799 607237710 /nfs/dbraw/zinc/23/77/10/607237710.db2.gz RUUVFTXKEIKKMH-UHFFFAOYSA-N -1 3 399.458 2.940 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1Cn1cccn1 ZINC000819745799 607237711 /nfs/dbraw/zinc/23/77/11/607237711.db2.gz RUUVFTXKEIKKMH-UHFFFAOYSA-N -1 3 399.458 2.940 20 30 GFEDHM N#Cc1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384998 607846047 /nfs/dbraw/zinc/84/60/47/607846047.db2.gz SODZEFUZAOLVFP-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM N#Cc1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384998 607846048 /nfs/dbraw/zinc/84/60/48/607846048.db2.gz SODZEFUZAOLVFP-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM Fc1cnc(N=NCc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000826378577 608016596 /nfs/dbraw/zinc/01/65/96/608016596.db2.gz QODPMNNPSQWPPM-UHFFFAOYSA-N -1 3 390.382 2.821 20 30 GFEDHM Fc1cnc(N=NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000826378577 608016597 /nfs/dbraw/zinc/01/65/97/608016597.db2.gz QODPMNNPSQWPPM-UHFFFAOYSA-N -1 3 390.382 2.821 20 30 GFEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000824778922 608140441 /nfs/dbraw/zinc/14/04/41/608140441.db2.gz RHENOFNESJPHHF-HXUWFJFHSA-N -1 3 389.419 2.820 20 30 GFEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000824778922 608140442 /nfs/dbraw/zinc/14/04/42/608140442.db2.gz RHENOFNESJPHHF-HXUWFJFHSA-N -1 3 389.419 2.820 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825793594 608176252 /nfs/dbraw/zinc/17/62/52/608176252.db2.gz XOPPQGRPGNXIHE-UHFFFAOYSA-N -1 3 394.345 2.638 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825793594 608176253 /nfs/dbraw/zinc/17/62/53/608176253.db2.gz XOPPQGRPGNXIHE-UHFFFAOYSA-N -1 3 394.345 2.638 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000823909959 608273238 /nfs/dbraw/zinc/27/32/38/608273238.db2.gz UJQCHTUKPXETTD-ZWKOTPCHSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000823909959 608273240 /nfs/dbraw/zinc/27/32/40/608273240.db2.gz UJQCHTUKPXETTD-ZWKOTPCHSA-N -1 3 384.484 2.768 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000824737446 608275653 /nfs/dbraw/zinc/27/56/53/608275653.db2.gz HGZLKKDIPYXKGB-OLZOCXBDSA-N -1 3 383.433 2.621 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CCO2)c1 ZINC000826386543 608302823 /nfs/dbraw/zinc/30/28/23/608302823.db2.gz JGKYTDRJERHWFX-LJQANCHMSA-N -1 3 387.447 2.590 20 30 GFEDHM N#Cc1cccc([C@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CCO2)c1 ZINC000826386543 608302825 /nfs/dbraw/zinc/30/28/25/608302825.db2.gz JGKYTDRJERHWFX-LJQANCHMSA-N -1 3 387.447 2.590 20 30 GFEDHM CCOc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC)cc1OC ZINC000825638179 608322167 /nfs/dbraw/zinc/32/21/67/608322167.db2.gz IGBZGWAWUHZCSP-UHFFFAOYSA-N -1 3 383.408 2.833 20 30 GFEDHM CCOc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC)cc1OC ZINC000825638179 608322168 /nfs/dbraw/zinc/32/21/68/608322168.db2.gz IGBZGWAWUHZCSP-UHFFFAOYSA-N -1 3 383.408 2.833 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826387535 608366760 /nfs/dbraw/zinc/36/67/60/608366760.db2.gz AGOTZSOCAVCCRI-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826387535 608366762 /nfs/dbraw/zinc/36/67/62/608366762.db2.gz AGOTZSOCAVCCRI-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM C[C@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824045318 608465420 /nfs/dbraw/zinc/46/54/20/608465420.db2.gz LERDIZUTBBMCJB-OAHLLOKOSA-N -1 3 399.458 2.855 20 30 GFEDHM C[C@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824045318 608465423 /nfs/dbraw/zinc/46/54/23/608465423.db2.gz LERDIZUTBBMCJB-OAHLLOKOSA-N -1 3 399.458 2.855 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823888587 608476976 /nfs/dbraw/zinc/47/69/76/608476976.db2.gz RCPHHHNJFBRUHZ-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823888587 608476977 /nfs/dbraw/zinc/47/69/77/608476977.db2.gz RCPHHHNJFBRUHZ-CQSZACIVSA-N -1 3 394.435 2.965 20 30 GFEDHM COc1cc(C)cc2c1OCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826178114 608537588 /nfs/dbraw/zinc/53/75/88/608537588.db2.gz KLOYFTKIXNGWDZ-UHFFFAOYSA-N -1 3 385.815 2.831 20 30 GFEDHM COc1cc(C)cc2c1OCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826178114 608537589 /nfs/dbraw/zinc/53/75/89/608537589.db2.gz KLOYFTKIXNGWDZ-UHFFFAOYSA-N -1 3 385.815 2.831 20 30 GFEDHM Cc1ccc(-c2nnn[n-]2)c(NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000826275364 608557709 /nfs/dbraw/zinc/55/77/09/608557709.db2.gz XPOYSFWLSZZXHE-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM Cc1ccc(-c2nn[n-]n2)c(NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000826275364 608557711 /nfs/dbraw/zinc/55/77/11/608557711.db2.gz XPOYSFWLSZZXHE-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888419 608562828 /nfs/dbraw/zinc/56/28/28/608562828.db2.gz MAVFEJVARCAEOV-CQSZACIVSA-N -1 3 378.436 2.525 20 30 GFEDHM COCCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000826157126 608577058 /nfs/dbraw/zinc/57/70/58/608577058.db2.gz IPJIUQVALKTSBH-UHFFFAOYSA-N -1 3 382.811 2.685 20 30 GFEDHM COCCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000826157126 608577060 /nfs/dbraw/zinc/57/70/60/608577060.db2.gz IPJIUQVALKTSBH-UHFFFAOYSA-N -1 3 382.811 2.685 20 30 GFEDHM Cc1cc(C(=O)OCC2(C#N)CCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260764 609156896 /nfs/dbraw/zinc/15/68/96/609156896.db2.gz DBBPIYSPMJWNGY-UHFFFAOYSA-N -1 3 377.408 2.602 20 30 GFEDHM Cc1cc(C(=O)OCC2(C#N)CCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260764 609156897 /nfs/dbraw/zinc/15/68/97/609156897.db2.gz DBBPIYSPMJWNGY-UHFFFAOYSA-N -1 3 377.408 2.602 20 30 GFEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953870 609159201 /nfs/dbraw/zinc/15/92/01/609159201.db2.gz SZKJHNBGBMOFJO-UHFFFAOYSA-N -1 3 387.419 2.533 20 30 GFEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953870 609159202 /nfs/dbraw/zinc/15/92/02/609159202.db2.gz SZKJHNBGBMOFJO-UHFFFAOYSA-N -1 3 387.419 2.533 20 30 GFEDHM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963046 609159628 /nfs/dbraw/zinc/15/96/28/609159628.db2.gz UIEBCSNWVSZPRN-UHFFFAOYSA-N -1 3 377.387 2.637 20 30 GFEDHM CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963046 609159630 /nfs/dbraw/zinc/15/96/30/609159630.db2.gz UIEBCSNWVSZPRN-UHFFFAOYSA-N -1 3 377.387 2.637 20 30 GFEDHM N#Cc1cc2c(nc1NCc1nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]1)CCC2 ZINC000826384178 609166876 /nfs/dbraw/zinc/16/68/76/609166876.db2.gz KDZOJLPOCKXRCG-UHFFFAOYSA-N -1 3 383.419 2.624 20 30 GFEDHM N#Cc1cc2c(nc1NCc1nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]1)CCC2 ZINC000826384178 609166878 /nfs/dbraw/zinc/16/68/78/609166878.db2.gz KDZOJLPOCKXRCG-UHFFFAOYSA-N -1 3 383.419 2.624 20 30 GFEDHM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000825390309 609269816 /nfs/dbraw/zinc/26/98/16/609269816.db2.gz DISZHWREZTULAC-ALCCZGGFSA-N -1 3 386.412 2.731 20 30 GFEDHM CCN(C(C)=O)c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000825390309 609269817 /nfs/dbraw/zinc/26/98/17/609269817.db2.gz DISZHWREZTULAC-ALCCZGGFSA-N -1 3 386.412 2.731 20 30 GFEDHM COc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1C#N ZINC000826203760 609278648 /nfs/dbraw/zinc/27/86/48/609278648.db2.gz FFESDPKLZSSZKZ-UHFFFAOYSA-N -1 3 390.382 2.684 20 30 GFEDHM C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823898795 609344255 /nfs/dbraw/zinc/34/42/55/609344255.db2.gz BOKFQTIDJVXWCV-SNVBAGLBSA-N -1 3 381.230 2.654 20 30 GFEDHM C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823898795 609344257 /nfs/dbraw/zinc/34/42/57/609344257.db2.gz BOKFQTIDJVXWCV-SNVBAGLBSA-N -1 3 381.230 2.654 20 30 GFEDHM S=C1N=NC(CSc2ccccc2)N1N=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826511861 609453753 /nfs/dbraw/zinc/45/37/53/609453753.db2.gz HNDTXVLYAAWGEP-UHFFFAOYSA-N -1 3 394.489 2.921 20 30 GFEDHM S=C1N=NC(CSc2ccccc2)N1N=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826511861 609453754 /nfs/dbraw/zinc/45/37/54/609453754.db2.gz HNDTXVLYAAWGEP-UHFFFAOYSA-N -1 3 394.489 2.921 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)c(Cl)c1 ZINC000826386033 609531466 /nfs/dbraw/zinc/53/14/66/609531466.db2.gz MDSGKGLBIUCDMI-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#Cc1cc(Br)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826383488 660453565 /nfs/dbraw/zinc/45/35/65/660453565.db2.gz CROCSILQYCFOAT-UHFFFAOYSA-N -1 3 385.225 2.992 20 30 GFEDHM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc(Br)c(F)cc1[O-] ZINC000837781373 661015864 /nfs/dbraw/zinc/01/58/64/661015864.db2.gz XTHDBHVINSRYOJ-OAHLLOKOSA-N -1 3 387.205 2.505 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000069007025 654971335 /nfs/dbraw/zinc/97/13/35/654971335.db2.gz DLLHXXAYCSHDBS-LLVKDONJSA-N -1 3 392.308 2.670 20 30 GFEDHM O=C(CC(=O)NCC(F)(F)F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000273055306 655128808 /nfs/dbraw/zinc/12/88/08/655128808.db2.gz XISCYAKEYBLZGQ-NSHDSACASA-N -1 3 378.219 2.753 20 30 GFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000163365262 655135229 /nfs/dbraw/zinc/13/52/29/655135229.db2.gz BBWXFOSSXAYGTA-UHFFFAOYSA-N -1 3 398.706 2.982 20 30 GFEDHM C#CCCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000172944798 655161269 /nfs/dbraw/zinc/16/12/69/655161269.db2.gz MNAOLEWWQOJPPU-UHFFFAOYSA-N -1 3 375.277 2.577 20 30 GFEDHM C#CCCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000173785842 655181215 /nfs/dbraw/zinc/18/12/15/655181215.db2.gz 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CS(=O)(=O)[N-]c1cc(C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1F ZINC000816220384 660150261 /nfs/dbraw/zinc/15/02/61/660150261.db2.gz VWXPPMKXJDYEHA-UHFFFAOYSA-N -1 3 383.241 2.847 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@H]2CC2(Cl)Cl)ccc1F ZINC000857686541 662087146 /nfs/dbraw/zinc/08/71/46/662087146.db2.gz AHDSFEWSOZGXQB-NSHDSACASA-N -1 3 395.283 2.604 20 30 GFEDHM Cn1cc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c(Br)n1 ZINC000867305382 662540833 /nfs/dbraw/zinc/54/08/33/662540833.db2.gz XJSWFLLLCBTQFL-ZDUSSCGKSA-N -1 3 397.298 2.896 20 30 GFEDHM O=C(Nc1cc(Cl)c(Br)cc1F)N[C@H]1CCCN([O-])C1=O ZINC000880162811 662953121 /nfs/dbraw/zinc/95/31/21/662953121.db2.gz VBAFXHVYTPKMJN-VIFPVBQESA-N -1 3 380.601 2.743 20 30 GFEDHM C#CCC1([N-]S(=O)(=O)c2sc(Br)cc2C)CCOCC1 ZINC000885842979 663098976 /nfs/dbraw/zinc/09/89/76/663098976.db2.gz LZBSGYSXDJZYDK-UHFFFAOYSA-N -1 3 378.313 2.670 20 30 GFEDHM C#CCN(C)CCCNC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909037810 664142045 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GFEDHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F ZINC000158807312 551557278 /nfs/dbraw/zinc/55/72/78/551557278.db2.gz ZXORHXLKNIRIAF-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM N#CCCCCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000171592784 551658331 /nfs/dbraw/zinc/65/83/31/551658331.db2.gz ZMBCWYLGPLHGOU-UHFFFAOYSA-N -1 3 383.520 2.712 20 30 GFEDHM Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178551609 552172741 /nfs/dbraw/zinc/17/27/41/552172741.db2.gz NUZXYXPPVVLYIX-UHFFFAOYSA-N -1 3 388.221 2.590 20 30 GFEDHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186375580 552386486 /nfs/dbraw/zinc/38/64/86/552386486.db2.gz YVDPMMJDYGXPBE-MRXNPFEDSA-N -1 3 377.897 2.663 20 30 GFEDHM N#CC1CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000194843955 553031663 /nfs/dbraw/zinc/03/16/63/553031663.db2.gz IEHMEKSGMVFKNG-UHFFFAOYSA-N -1 3 395.531 2.664 20 30 GFEDHM C=C[C@](C)(CCOC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681527 563318590 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GFEDHM N#C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1c(Cl)cccc1Cl ZINC000426995197 563457884 /nfs/dbraw/zinc/45/78/84/563457884.db2.gz NOLNYGLIELKIHB-AWEZNQCLSA-N -1 3 378.215 2.810 20 30 GFEDHM C#CCCS(=O)(=O)[N-][C@@H](CC)c1noc(-c2cccc(Br)c2)n1 ZINC000377287424 563469590 /nfs/dbraw/zinc/46/95/90/563469590.db2.gz DOOKWSJHNNJYOR-ZDUSSCGKSA-N -1 3 398.282 2.893 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000329186886 563475093 /nfs/dbraw/zinc/47/50/93/563475093.db2.gz AYFHDEWRCKSSQN-COLVAYQJSA-N -1 3 397.294 2.557 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000329231282 563475739 /nfs/dbraw/zinc/47/57/39/563475739.db2.gz KNUSFCSUYBHYDZ-ZDUSSCGKSA-N -1 3 398.326 2.616 20 30 GFEDHM Cc1nc([C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c2ccc(Cl)cc2)no1 ZINC000377853199 563488718 /nfs/dbraw/zinc/48/87/18/563488718.db2.gz XYDWFBWWVOKJMW-CQSZACIVSA-N -1 3 382.873 2.980 20 30 GFEDHM CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1COc2cc(F)c(Br)cc21 ZINC000377864074 563489568 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N#CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000451386759 564307461 /nfs/dbraw/zinc/30/74/61/564307461.db2.gz ASAZAKLLZBUSNO-UHFFFAOYSA-N -1 3 384.626 2.527 20 30 GFEDHM C[C@]1(c2ccc(CNc3ccc(Br)cc3C#N)cc2)NC(=O)[N-]C1=O ZINC000543032620 564336614 /nfs/dbraw/zinc/33/66/14/564336614.db2.gz VWPMJGGOTKRVDT-GOSISDBHSA-N -1 3 399.248 2.987 20 30 GFEDHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC2 ZINC000476400148 564337749 /nfs/dbraw/zinc/33/77/49/564337749.db2.gz VYQGJFOEXVKJKA-AWEZNQCLSA-N -1 3 378.885 2.825 20 30 GFEDHM CC[C@](C)(C#N)C(=O)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000510681038 564343318 /nfs/dbraw/zinc/34/33/18/564343318.db2.gz LFPDEVRYQXEUGM-OAHLLOKOSA-N -1 3 394.216 2.982 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511336945 564368127 /nfs/dbraw/zinc/36/81/27/564368127.db2.gz BOZJLHBJDZXZSH-NSHDSACASA-N -1 3 385.221 2.796 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000515520878 564480884 /nfs/dbraw/zinc/48/08/84/564480884.db2.gz KRUFGGKDWAUTHY-UHFFFAOYSA-N -1 3 399.295 2.528 20 30 GFEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)OC ZINC000481571596 564517050 /nfs/dbraw/zinc/51/70/50/564517050.db2.gz XRAARRHBDBBADA-LBPRGKRZSA-N -1 3 389.882 2.577 20 30 GFEDHM CCCCOCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000519817358 564592383 /nfs/dbraw/zinc/59/23/83/564592383.db2.gz UOPRBKSXDLRKBL-UHFFFAOYSA-N -1 3 375.288 2.806 20 30 GFEDHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000549883805 564607899 /nfs/dbraw/zinc/60/78/99/564607899.db2.gz BVGPUVIRHOVKNC-OAHLLOKOSA-N -1 3 387.299 2.540 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000550435887 564624209 /nfs/dbraw/zinc/62/42/09/564624209.db2.gz ZIQDVVNKOZQLIV-UHFFFAOYSA-N -1 3 381.251 2.678 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000550828540 564632754 /nfs/dbraw/zinc/63/27/54/564632754.db2.gz GLYXWJIBZMHWBC-UHFFFAOYSA-N -1 3 395.234 2.528 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCNc1cccc(Br)c1 ZINC000486676357 564662466 /nfs/dbraw/zinc/66/24/66/564662466.db2.gz ZSMNAGFLQSEISH-UHFFFAOYSA-N -1 3 398.257 2.850 20 30 GFEDHM COC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCCC1 ZINC000553861102 564741549 /nfs/dbraw/zinc/74/15/49/564741549.db2.gz VATXYDIAGJJKOX-UHFFFAOYSA-N -1 3 387.299 2.948 20 30 GFEDHM CCc1ncc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000528551142 564794092 /nfs/dbraw/zinc/79/40/92/564794092.db2.gz HYNWYGVUANTPPO-UHFFFAOYSA-N -1 3 377.491 2.561 20 30 GFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493978676 564815303 /nfs/dbraw/zinc/81/53/03/564815303.db2.gz UDUMTBAPMJZLPL-MRVPVSSYSA-N -1 3 393.259 2.917 20 30 GFEDHM COCc1ccccc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000559636316 564938385 /nfs/dbraw/zinc/93/83/85/564938385.db2.gz ASZMCAFPRYLVPU-UHFFFAOYSA-N -1 3 395.278 2.946 20 30 GFEDHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000561539034 565000250 /nfs/dbraw/zinc/00/02/50/565000250.db2.gz VDBCGMRRIJMLSM-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SCCC#N)co1 ZINC000535966399 565025173 /nfs/dbraw/zinc/02/51/73/565025173.db2.gz YMMIVZGAYXSUHC-UHFFFAOYSA-N -1 3 379.463 2.788 20 30 GFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccncc1 ZINC000588117561 565126051 /nfs/dbraw/zinc/12/60/51/565126051.db2.gz BIGLLXJCXDDEKU-LLVKDONJSA-N -1 3 380.267 2.798 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)c(Cl)c1 ZINC000588144700 565128778 /nfs/dbraw/zinc/12/87/78/565128778.db2.gz RWPNZZGWEXRRTL-CYBMUJFWSA-N -1 3 385.272 2.919 20 30 GFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000617039618 565219661 /nfs/dbraw/zinc/21/96/61/565219661.db2.gz JOPVQZQMFNLZNO-NEPJUHHUSA-N -1 3 376.931 2.931 20 30 GFEDHM COc1ccc(Br)cc1C1([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000592067011 565251727 /nfs/dbraw/zinc/25/17/27/565251727.db2.gz LTLAOEUQGQLASN-UHFFFAOYSA-N -1 3 397.250 2.890 20 30 GFEDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618993852 565324661 /nfs/dbraw/zinc/32/46/61/565324661.db2.gz QCQJFEAQGAGGKU-VIFPVBQESA-N -1 3 384.255 2.965 20 30 GFEDHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cs1 ZINC000619711328 565355931 /nfs/dbraw/zinc/35/59/31/565355931.db2.gz JLOPMLQNJWGJCF-UHFFFAOYSA-N -1 3 390.412 2.578 20 30 GFEDHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753363 565358716 /nfs/dbraw/zinc/35/87/16/565358716.db2.gz YFAIRQDXSXEUCR-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753008 565358986 /nfs/dbraw/zinc/35/89/86/565358986.db2.gz HQGTXNICYFAMLA-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM CC[C@]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)(C(N)=O)C(C)C ZINC000594770697 565418763 /nfs/dbraw/zinc/41/87/63/565418763.db2.gz CFWSNTQZXFSEOT-QGZVFWFLSA-N -1 3 379.507 2.650 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]Cc1ncnn1C(C)C ZINC000594778240 565420031 /nfs/dbraw/zinc/42/00/31/565420031.db2.gz FLNLMVRFJSBDCA-UHFFFAOYSA-N -1 3 375.479 2.732 20 30 GFEDHM Cc1cc(S(N)(=O)=O)oc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000597187587 565554356 /nfs/dbraw/zinc/55/43/56/565554356.db2.gz RJWSZJFPBMCGPG-LLVKDONJSA-N -1 3 379.463 2.882 20 30 GFEDHM C[C@@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000627820674 565754900 /nfs/dbraw/zinc/75/49/00/565754900.db2.gz SFGPUWSCQPZQDV-RXMQYKEDSA-N -1 3 385.211 2.870 20 30 GFEDHM N#CC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCOCC1 ZINC000737674774 598834237 /nfs/dbraw/zinc/83/42/37/598834237.db2.gz LNEDJCSSEBIDTQ-UHFFFAOYSA-N -1 3 394.460 2.532 20 30 GFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039052 598888082 /nfs/dbraw/zinc/88/80/82/598888082.db2.gz ZHKHQQAAZKDZEE-ATWMFIQVSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039052 598888084 /nfs/dbraw/zinc/88/80/84/598888084.db2.gz ZHKHQQAAZKDZEE-ATWMFIQVSA-N -1 3 375.388 2.762 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)ccc1-c1nnn[n-]1 ZINC000737710590 598919041 /nfs/dbraw/zinc/91/90/41/598919041.db2.gz ZGBGZYVKLYCJMK-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)ccc1-c1nn[n-]n1 ZINC000737710590 598919043 /nfs/dbraw/zinc/91/90/43/598919043.db2.gz ZGBGZYVKLYCJMK-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1-c1nnn[n-]1 ZINC000737719880 598919387 /nfs/dbraw/zinc/91/93/87/598919387.db2.gz YHKWHMFJRDTQPT-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1-c1nn[n-]n1 ZINC000737719880 598919390 /nfs/dbraw/zinc/91/93/90/598919390.db2.gz YHKWHMFJRDTQPT-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Br)c1 ZINC000737073089 598926422 /nfs/dbraw/zinc/92/64/22/598926422.db2.gz ZALXRXXIXCZOMF-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Br)c1 ZINC000737073089 598926424 /nfs/dbraw/zinc/92/64/24/598926424.db2.gz ZALXRXXIXCZOMF-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1-c1nnn[n-]1 ZINC000737718341 598927541 /nfs/dbraw/zinc/92/75/41/598927541.db2.gz HYFPPGIWSRXEED-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1-c1nn[n-]n1 ZINC000737718341 598927542 /nfs/dbraw/zinc/92/75/42/598927542.db2.gz HYFPPGIWSRXEED-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000737395767 598950665 /nfs/dbraw/zinc/95/06/65/598950665.db2.gz GYAGMVFBPPBYAG-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM Cc1cccc(N(CCC#N)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000737395767 598950667 /nfs/dbraw/zinc/95/06/67/598950667.db2.gz GYAGMVFBPPBYAG-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM CCOc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1OC(F)F ZINC000821426728 607253840 /nfs/dbraw/zinc/25/38/40/607253840.db2.gz HPALONJNTVKRPX-UHFFFAOYSA-N -1 3 388.378 2.991 20 30 GFEDHM CCOc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1OC(F)F ZINC000821426728 607253841 /nfs/dbraw/zinc/25/38/41/607253841.db2.gz HPALONJNTVKRPX-UHFFFAOYSA-N -1 3 388.378 2.991 20 30 GFEDHM COc1ccc(C=NN2C(=O)c3cccc4cccc(c43)C2=O)cc1-c1nnn[n-]1 ZINC000737080965 599125695 /nfs/dbraw/zinc/12/56/95/599125695.db2.gz JQYVDWCCDZAWMU-UHFFFAOYSA-N -1 3 398.382 2.659 20 30 GFEDHM COc1ccc(C=NN2C(=O)c3cccc4cccc(c43)C2=O)cc1-c1nn[n-]n1 ZINC000737080965 599125698 /nfs/dbraw/zinc/12/56/98/599125698.db2.gz JQYVDWCCDZAWMU-UHFFFAOYSA-N -1 3 398.382 2.659 20 30 GFEDHM COc1ccc2nc(C)c(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2c1 ZINC000737119484 599191919 /nfs/dbraw/zinc/19/19/19/599191919.db2.gz BIOINTKJKFGVNY-UHFFFAOYSA-N -1 3 385.387 2.856 20 30 GFEDHM COc1ccc2nc(C)c(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2c1 ZINC000737119484 599191922 /nfs/dbraw/zinc/19/19/22/599191922.db2.gz BIOINTKJKFGVNY-UHFFFAOYSA-N -1 3 385.387 2.856 20 30 GFEDHM COc1ccc(Br)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737065337 599197948 /nfs/dbraw/zinc/19/79/48/599197948.db2.gz JSPGTVPLWYJXPP-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(Br)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737065337 599197950 /nfs/dbraw/zinc/19/79/50/599197950.db2.gz JSPGTVPLWYJXPP-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000285734216 598246116 /nfs/dbraw/zinc/24/61/16/598246116.db2.gz UNTJNTFYBAJSCQ-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000285734216 598246117 /nfs/dbraw/zinc/24/61/17/598246117.db2.gz UNTJNTFYBAJSCQ-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000442957478 598253400 /nfs/dbraw/zinc/25/34/00/598253400.db2.gz TYDLBXXUYBKDFD-UHFFFAOYSA-N -1 3 396.904 2.861 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000442957478 598253402 /nfs/dbraw/zinc/25/34/02/598253402.db2.gz TYDLBXXUYBKDFD-UHFFFAOYSA-N -1 3 396.904 2.861 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1ccc(C#N)cc1F ZINC000735736760 598299500 /nfs/dbraw/zinc/29/95/00/598299500.db2.gz WCUXGZOWAJTORD-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1ccc(C#N)cc1F ZINC000735736760 598299502 /nfs/dbraw/zinc/29/95/02/598299502.db2.gz WCUXGZOWAJTORD-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736415652 598331760 /nfs/dbraw/zinc/33/17/60/598331760.db2.gz ICQGBVRRLRQWIP-INIZCTEOSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736415652 598331762 /nfs/dbraw/zinc/33/17/62/598331762.db2.gz ICQGBVRRLRQWIP-INIZCTEOSA-N -1 3 376.420 2.868 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737694940 598504692 /nfs/dbraw/zinc/50/46/92/598504692.db2.gz QMUBZVRSSGMTBZ-UHFFFAOYSA-N -1 3 379.449 2.923 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737694940 598504694 /nfs/dbraw/zinc/50/46/94/598504694.db2.gz QMUBZVRSSGMTBZ-UHFFFAOYSA-N -1 3 379.449 2.923 20 30 GFEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000737675713 598536686 /nfs/dbraw/zinc/53/66/86/598536686.db2.gz QVOBBMDCHVJTBF-AWEZNQCLSA-N -1 3 388.309 2.760 20 30 GFEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000737675713 598536688 /nfs/dbraw/zinc/53/66/88/598536688.db2.gz QVOBBMDCHVJTBF-AWEZNQCLSA-N -1 3 388.309 2.760 20 30 GFEDHM N#Cc1ccc(Cl)cc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737717348 598633441 /nfs/dbraw/zinc/63/34/41/598633441.db2.gz CHVUVKPMRQCXCD-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1ccc(Cl)cc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737717348 598633443 /nfs/dbraw/zinc/63/34/43/598633443.db2.gz CHVUVKPMRQCXCD-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCCOc1cccc(C#N)c1 ZINC000737024073 598646980 /nfs/dbraw/zinc/64/69/80/598646980.db2.gz JTGCEHKOVCLWKM-UHFFFAOYSA-N -1 3 393.403 2.902 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCCOc1cccc(C#N)c1 ZINC000737024073 598646981 /nfs/dbraw/zinc/64/69/81/598646981.db2.gz JTGCEHKOVCLWKM-UHFFFAOYSA-N -1 3 393.403 2.902 20 30 GFEDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC#Cc1ccccc1 ZINC000737833607 598684143 /nfs/dbraw/zinc/68/41/43/598684143.db2.gz XVPVLYMNKKFHKS-UHFFFAOYSA-N -1 3 375.432 2.584 20 30 GFEDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC#Cc1ccccc1 ZINC000737833607 598684145 /nfs/dbraw/zinc/68/41/45/598684145.db2.gz XVPVLYMNKKFHKS-UHFFFAOYSA-N -1 3 375.432 2.584 20 30 GFEDHM c1ccc2c(c1)OCCC2=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823737995 599382725 /nfs/dbraw/zinc/38/27/25/599382725.db2.gz MLPCJHNKCTXKDG-UHFFFAOYSA-N -1 3 389.375 2.620 20 30 GFEDHM c1ccc2c(c1)OCCC2=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823737995 599382728 /nfs/dbraw/zinc/38/27/28/599382728.db2.gz MLPCJHNKCTXKDG-UHFFFAOYSA-N -1 3 389.375 2.620 20 30 GFEDHM C#CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccc(F)cc1 ZINC000819702303 599565867 /nfs/dbraw/zinc/56/58/67/599565867.db2.gz XVCASCLSIXVFPL-UHFFFAOYSA-N -1 3 389.394 2.691 20 30 GFEDHM C#CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1ccc(F)cc1 ZINC000819702303 599565869 /nfs/dbraw/zinc/56/58/69/599565869.db2.gz XVCASCLSIXVFPL-UHFFFAOYSA-N -1 3 389.394 2.691 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000822829867 599633931 /nfs/dbraw/zinc/63/39/31/599633931.db2.gz MVHZYWTWXGJJHW-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000822829867 599633932 /nfs/dbraw/zinc/63/39/32/599633932.db2.gz MVHZYWTWXGJJHW-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826186672 607393003 /nfs/dbraw/zinc/39/30/03/607393003.db2.gz GOKXCPBCHXIRMH-UHFFFAOYSA-N -1 3 375.392 2.558 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826186672 607393005 /nfs/dbraw/zinc/39/30/05/607393005.db2.gz GOKXCPBCHXIRMH-UHFFFAOYSA-N -1 3 375.392 2.558 20 30 GFEDHM C=CC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccncc1 ZINC000823888494 607456121 /nfs/dbraw/zinc/45/61/21/607456121.db2.gz OJBQETXRQBRUIW-QGZVFWFLSA-N -1 3 375.436 2.867 20 30 GFEDHM C=CC[C@@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccncc1 ZINC000823888494 607456123 /nfs/dbraw/zinc/45/61/23/607456123.db2.gz OJBQETXRQBRUIW-QGZVFWFLSA-N -1 3 375.436 2.867 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)nnn1-c1ccc(F)cc1 ZINC000822015464 607460134 /nfs/dbraw/zinc/46/01/34/607460134.db2.gz JUJJDRCWXSMSJS-WTKPLQERSA-N -1 3 393.357 2.930 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)nnn1-c1ccc(F)cc1 ZINC000822015464 607460135 /nfs/dbraw/zinc/46/01/35/607460135.db2.gz JUJJDRCWXSMSJS-WTKPLQERSA-N -1 3 393.357 2.930 20 30 GFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNC(=S)Nc1cccc(Cl)c1 ZINC000822740951 607463954 /nfs/dbraw/zinc/46/39/54/607463954.db2.gz PCXYAORJHNOQBZ-UHFFFAOYSA-N -1 3 375.820 2.980 20 30 GFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNC(=S)Nc1cccc(Cl)c1 ZINC000822740951 607463955 /nfs/dbraw/zinc/46/39/55/607463955.db2.gz PCXYAORJHNOQBZ-UHFFFAOYSA-N -1 3 375.820 2.980 20 30 GFEDHM CCOC(=O)C(F)(F)[C@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821319276 607466090 /nfs/dbraw/zinc/46/60/90/607466090.db2.gz CNYCJJBCEQGODD-AWEZNQCLSA-N -1 3 392.410 2.701 20 30 GFEDHM CCOC(=O)C(F)(F)[C@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821319276 607466091 /nfs/dbraw/zinc/46/60/91/607466091.db2.gz CNYCJJBCEQGODD-AWEZNQCLSA-N -1 3 392.410 2.701 20 30 GFEDHM Cc1cccc(S(=O)(=O)N(CC(C)C)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826300866 607533537 /nfs/dbraw/zinc/53/35/37/607533537.db2.gz JKUNGYZBMOYEAQ-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM Cc1cccc(S(=O)(=O)N(CC(C)C)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826300866 607533538 /nfs/dbraw/zinc/53/35/38/607533538.db2.gz JKUNGYZBMOYEAQ-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)cc1C#N ZINC000826203556 607559516 /nfs/dbraw/zinc/55/95/16/607559516.db2.gz VOOQUIJNGAIQDR-UHFFFAOYSA-N -1 3 385.431 2.946 20 30 GFEDHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)cc1C#N ZINC000826203556 607559518 /nfs/dbraw/zinc/55/95/18/607559518.db2.gz VOOQUIJNGAIQDR-UHFFFAOYSA-N -1 3 385.431 2.946 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000826385834 607580683 /nfs/dbraw/zinc/58/06/83/607580683.db2.gz CZQLIOCPLJNNLB-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826257198 607685582 /nfs/dbraw/zinc/68/55/82/607685582.db2.gz RTWTUOSAIMIZHU-UHFFFAOYSA-N -1 3 388.431 2.730 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)[nH]1 ZINC000826384497 607698346 /nfs/dbraw/zinc/69/83/46/607698346.db2.gz XVTKHPGQNSCHGT-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)[nH]1 ZINC000826384497 607698347 /nfs/dbraw/zinc/69/83/47/607698347.db2.gz XVTKHPGQNSCHGT-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM C#Cc1cccc(N(CC)CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)c1 ZINC000819709491 606109225 /nfs/dbraw/zinc/10/92/25/606109225.db2.gz GTDRPQMIQSOQNA-UHFFFAOYSA-N -1 3 380.477 2.991 20 30 GFEDHM C#Cc1cccc(N(CC)CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000819709491 606109227 /nfs/dbraw/zinc/10/92/27/606109227.db2.gz GTDRPQMIQSOQNA-UHFFFAOYSA-N -1 3 380.477 2.991 20 30 GFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccc(F)cc1 ZINC000822015400 606306042 /nfs/dbraw/zinc/30/60/42/606306042.db2.gz JEMLPSQBZHTCNZ-VOTSOKGWSA-N -1 3 381.396 2.853 20 30 GFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)nnn1-c1ccc(F)cc1 ZINC000822015400 606306044 /nfs/dbraw/zinc/30/60/44/606306044.db2.gz JEMLPSQBZHTCNZ-VOTSOKGWSA-N -1 3 381.396 2.853 20 30 GFEDHM N#Cc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)c(OC(F)F)c1 ZINC000822825504 606563036 /nfs/dbraw/zinc/56/30/36/606563036.db2.gz IESSOPGUCJHQNP-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM N#Cc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)c(OC(F)F)c1 ZINC000822825504 606563038 /nfs/dbraw/zinc/56/30/38/606563038.db2.gz IESSOPGUCJHQNP-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000821308518 606599360 /nfs/dbraw/zinc/59/93/60/606599360.db2.gz CJIAHVWRZJOVSY-UHFFFAOYSA-N -1 3 396.842 2.874 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000819743901 606774699 /nfs/dbraw/zinc/77/46/99/606774699.db2.gz SEEZMZAKZYYFLG-RCCFBDPRSA-N -1 3 382.468 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000819743901 606774701 /nfs/dbraw/zinc/77/47/01/606774701.db2.gz SEEZMZAKZYYFLG-RCCFBDPRSA-N -1 3 382.468 2.522 20 30 GFEDHM C=C(C)COCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819722515 606805404 /nfs/dbraw/zinc/80/54/04/606805404.db2.gz LETULCCPHXBKFX-UHFFFAOYSA-N -1 3 395.423 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc(NCC)nc1C ZINC000819745797 607043737 /nfs/dbraw/zinc/04/37/37/607043737.db2.gz RUOLWCSLCZSMQK-UHFFFAOYSA-N -1 3 383.481 2.892 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc(NCC)nc1C ZINC000819745797 607043739 /nfs/dbraw/zinc/04/37/39/607043739.db2.gz RUOLWCSLCZSMQK-UHFFFAOYSA-N -1 3 383.481 2.892 20 30 GFEDHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825654070 607796100 /nfs/dbraw/zinc/79/61/00/607796100.db2.gz NOKNQSCGQSADSL-UHFFFAOYSA-N -1 3 384.346 2.868 20 30 GFEDHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825654070 607796101 /nfs/dbraw/zinc/79/61/01/607796101.db2.gz NOKNQSCGQSADSL-UHFFFAOYSA-N -1 3 384.346 2.868 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000823909985 607836879 /nfs/dbraw/zinc/83/68/79/607836879.db2.gz VGGRQGKGTRIWNZ-KSZLIROESA-N -1 3 394.479 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000823909985 607836880 /nfs/dbraw/zinc/83/68/80/607836880.db2.gz VGGRQGKGTRIWNZ-KSZLIROESA-N -1 3 394.479 2.522 20 30 GFEDHM C=C(C)[C@@H](CC(=O)NCCSCc1ccccc1-c1nnn[n-]1)OCC ZINC000823872866 607880109 /nfs/dbraw/zinc/88/01/09/607880109.db2.gz FHPWVMHUHDUOLC-MRXNPFEDSA-N -1 3 375.498 2.587 20 30 GFEDHM C=C(C)[C@@H](CC(=O)NCCSCc1ccccc1-c1nn[n-]n1)OCC ZINC000823872866 607880110 /nfs/dbraw/zinc/88/01/10/607880110.db2.gz FHPWVMHUHDUOLC-MRXNPFEDSA-N -1 3 375.498 2.587 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826402698 607885175 /nfs/dbraw/zinc/88/51/75/607885175.db2.gz ZZMZYDMHABAROZ-JXMROGBWSA-N -1 3 375.432 2.724 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826402698 607885176 /nfs/dbraw/zinc/88/51/76/607885176.db2.gz ZZMZYDMHABAROZ-JXMROGBWSA-N -1 3 375.432 2.724 20 30 GFEDHM C#C[C@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823838776 608011867 /nfs/dbraw/zinc/01/18/67/608011867.db2.gz UNLANBFUNYCNTQ-GOSISDBHSA-N -1 3 378.457 2.888 20 30 GFEDHM C#C[C@H](Cc1ccccc1)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823838776 608011868 /nfs/dbraw/zinc/01/18/68/608011868.db2.gz UNLANBFUNYCNTQ-GOSISDBHSA-N -1 3 378.457 2.888 20 30 GFEDHM Cc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826281095 608073454 /nfs/dbraw/zinc/07/34/54/608073454.db2.gz DKWICXPDGJXVQV-SFHVURJKSA-N -1 3 389.419 2.652 20 30 GFEDHM Cc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826281095 608073455 /nfs/dbraw/zinc/07/34/55/608073455.db2.gz DKWICXPDGJXVQV-SFHVURJKSA-N -1 3 389.419 2.652 20 30 GFEDHM COCC#CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826147122 608104397 /nfs/dbraw/zinc/10/43/97/608104397.db2.gz OBIXUZCBBTWMFB-UHFFFAOYSA-N -1 3 378.388 2.774 20 30 GFEDHM COCC#CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826147122 608104398 /nfs/dbraw/zinc/10/43/98/608104398.db2.gz OBIXUZCBBTWMFB-UHFFFAOYSA-N -1 3 378.388 2.774 20 30 GFEDHM COC[C@H](C#N)OC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826147971 608143556 /nfs/dbraw/zinc/14/35/56/608143556.db2.gz SWSFOAINWBSDDB-LBPRGKRZSA-N -1 3 381.417 2.713 20 30 GFEDHM COC[C@H](C#N)OC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826147971 608143557 /nfs/dbraw/zinc/14/35/57/608143557.db2.gz SWSFOAINWBSDDB-LBPRGKRZSA-N -1 3 381.417 2.713 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 ZINC000823909611 608196507 /nfs/dbraw/zinc/19/65/07/608196507.db2.gz KXYZBFMZMJVPMJ-UZLBHIALSA-N -1 3 391.475 2.854 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 ZINC000823909611 608196510 /nfs/dbraw/zinc/19/65/10/608196510.db2.gz KXYZBFMZMJVPMJ-UZLBHIALSA-N -1 3 391.475 2.854 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000824755991 608384843 /nfs/dbraw/zinc/38/48/43/608384843.db2.gz NFXNRTKIRHCKEC-OLZOCXBDSA-N -1 3 383.433 2.621 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000824755991 608384845 /nfs/dbraw/zinc/38/48/45/608384845.db2.gz NFXNRTKIRHCKEC-OLZOCXBDSA-N -1 3 383.433 2.621 20 30 GFEDHM N#Cc1ccc(OC2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826386048 608392980 /nfs/dbraw/zinc/39/29/80/608392980.db2.gz MSGBZJMTEHHSIP-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384686 608478647 /nfs/dbraw/zinc/47/86/47/608478647.db2.gz FNRWJNILFCAWNP-UHFFFAOYSA-N -1 3 384.443 2.987 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384686 608478649 /nfs/dbraw/zinc/47/86/49/608478649.db2.gz FNRWJNILFCAWNP-UHFFFAOYSA-N -1 3 384.443 2.987 20 30 GFEDHM C#CCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000823856402 608486292 /nfs/dbraw/zinc/48/62/92/608486292.db2.gz QVXIZDNGZSBKAC-UHFFFAOYSA-N -1 3 385.427 2.808 20 30 GFEDHM C#CCOc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000823856402 608486294 /nfs/dbraw/zinc/48/62/94/608486294.db2.gz QVXIZDNGZSBKAC-UHFFFAOYSA-N -1 3 385.427 2.808 20 30 GFEDHM C[C@@H](C#N)Oc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000824035191 608852827 /nfs/dbraw/zinc/85/28/27/608852827.db2.gz SZQIAGWBCWJGDE-MGPUTAFESA-N -1 3 390.447 2.731 20 30 GFEDHM CC1(C#N)CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824779574 609173419 /nfs/dbraw/zinc/17/34/19/609173419.db2.gz WFIVFDMABCNCNO-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM CC1(C#N)CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824779574 609173421 /nfs/dbraw/zinc/17/34/21/609173421.db2.gz WFIVFDMABCNCNO-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1CC#N ZINC000824319323 609175521 /nfs/dbraw/zinc/17/55/21/609175521.db2.gz LWICYTYUJDXWOP-UHFFFAOYSA-N -1 3 376.420 2.901 20 30 GFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1CC#N ZINC000824319323 609175523 /nfs/dbraw/zinc/17/55/23/609175523.db2.gz LWICYTYUJDXWOP-UHFFFAOYSA-N -1 3 376.420 2.901 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000823878444 609371073 /nfs/dbraw/zinc/37/10/73/609371073.db2.gz ZGQUVNCJBLIHOJ-UHFFFAOYSA-N -1 3 379.468 2.721 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000823878444 609371075 /nfs/dbraw/zinc/37/10/75/609371075.db2.gz ZGQUVNCJBLIHOJ-UHFFFAOYSA-N -1 3 379.468 2.721 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cncc(F)c1 ZINC000823910216 609410751 /nfs/dbraw/zinc/41/07/51/609410751.db2.gz ZEIVXZUBTVHSNJ-CYBMUJFWSA-N 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ZINC000836831704 660948766 /nfs/dbraw/zinc/94/87/66/660948766.db2.gz SYALZBIIFVDYEB-CQSZACIVSA-N -1 3 395.283 2.604 20 30 GFEDHM C=CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000093917122 655023694 /nfs/dbraw/zinc/02/36/94/655023694.db2.gz QSFCUFJZFYVTES-UHFFFAOYSA-N -1 3 378.491 2.564 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cc(C(F)(F)F)on1 ZINC000578297170 655476050 /nfs/dbraw/zinc/47/60/50/655476050.db2.gz IWQFYMQEONCRPC-UHFFFAOYSA-N -1 3 377.319 2.918 20 30 GFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC[Si](C)(C)C ZINC000740948536 655701167 /nfs/dbraw/zinc/70/11/67/655701167.db2.gz HAWLVSCWKGLIHG-AWEZNQCLSA-N -1 3 382.558 2.705 20 30 GFEDHM Cc1cc(Br)ccc1NC(=O)C/N=C\c1c([O-])c(C)ncc1CO ZINC000747712628 655782270 /nfs/dbraw/zinc/78/22/70/655782270.db2.gz CUSKXVQTWMVWQE-GXHLCREISA-N -1 3 392.253 2.716 20 30 GFEDHM CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2c([O-])cccc2Cl)cc1 ZINC000755804136 655889232 /nfs/dbraw/zinc/88/92/32/655889232.db2.gz XBFVUDVOYKOVBJ-UHFFFAOYSA-N -1 3 382.825 2.535 20 30 GFEDHM C#CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000757621346 655913847 /nfs/dbraw/zinc/91/38/47/655913847.db2.gz FNBUDOFUAIUTMG-ZDUSSCGKSA-N -1 3 382.894 2.561 20 30 GFEDHM COc1cc(CN=Nc2c(OC)cccc2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000767392548 656201491 /nfs/dbraw/zinc/20/14/91/656201491.db2.gz WKZQEOWUTUVHLR-UHFFFAOYSA-N -1 3 384.841 2.912 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000773055263 656397698 /nfs/dbraw/zinc/39/76/98/656397698.db2.gz LAABXVHVUCBRMD-NEPJUHHUSA-N -1 3 378.675 2.562 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCO1 ZINC000773056832 656397984 /nfs/dbraw/zinc/39/79/84/656397984.db2.gz OJEOMVMTLYZAIE-NEPJUHHUSA-N -1 3 378.675 2.562 20 30 GFEDHM N#Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(Br)c1 ZINC000778115450 656865161 /nfs/dbraw/zinc/86/51/61/656865161.db2.gz KVGVKPQAIQSKES-UHFFFAOYSA-N -1 3 385.173 2.561 20 30 GFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000778627200 656886190 /nfs/dbraw/zinc/88/61/90/656886190.db2.gz RWLDIDUUWHEMMV-UHFFFAOYSA-N -1 3 384.679 2.505 20 30 GFEDHM Cc1cc(COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C#N ZINC000783340669 657223852 /nfs/dbraw/zinc/22/38/52/657223852.db2.gz GLCBFQPLSJGHDP-UHFFFAOYSA-N -1 3 384.866 2.603 20 30 GFEDHM COc1ccc(C=Nn2c(C)c(Br)c(C)c(C#N)c2=O)c([O-])c1 ZINC000788454257 657722269 /nfs/dbraw/zinc/72/22/69/657722269.db2.gz KKJCWWWCKPUNCD-UHFFFAOYSA-N -1 3 376.210 2.696 20 30 GFEDHM C=CCN1CC[C@H](OC(=O)c2n[n-]c(-c3ccccc3)c2Br)C1=O ZINC000798637029 659130382 /nfs/dbraw/zinc/13/03/82/659130382.db2.gz PRAAHMFBIHAUTK-LBPRGKRZSA-N -1 3 390.237 2.783 20 30 GFEDHM C#C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(C)C ZINC000799044447 659161823 /nfs/dbraw/zinc/16/18/23/659161823.db2.gz FGYZIGHIQGDJEO-CQSZACIVSA-N -1 3 389.304 2.822 20 30 GFEDHM Cc1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc(C)c1Cl ZINC000799451296 659191820 /nfs/dbraw/zinc/19/18/20/659191820.db2.gz MCAXIGXTFLTWBO-UHFFFAOYSA-N -1 3 377.853 2.634 20 30 GFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cn1cc(Br)ccc1=O ZINC000845838842 661499693 /nfs/dbraw/zinc/49/96/93/661499693.db2.gz PRYFWEXEHCSHAO-OAHLLOKOSA-N -1 3 399.244 2.621 20 30 GFEDHM N#CC(C(=O)Cn1cc(Br)ccc1=O)=C([O-])C1(c2ccccc2)CC1 ZINC000845838842 661499697 /nfs/dbraw/zinc/49/96/97/661499697.db2.gz PRYFWEXEHCSHAO-OAHLLOKOSA-N -1 3 399.244 2.621 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(C(F)(F)F)ccc1Br ZINC000848135920 661627157 /nfs/dbraw/zinc/62/71/57/661627157.db2.gz JJFNKKIZXUTITN-JTQLQIEISA-N -1 3 381.148 2.578 20 30 GFEDHM Cn1c(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1-c1ccc(Br)cc1 ZINC000848137668 661627170 /nfs/dbraw/zinc/62/71/70/661627170.db2.gz FDONZVLJPCONQY-CYBMUJFWSA-N -1 3 392.253 2.565 20 30 GFEDHM Cn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(Br)n1 ZINC000849336205 661706930 /nfs/dbraw/zinc/70/69/30/661706930.db2.gz RSMFZPIJMDCRCH-UHFFFAOYSA-N -1 3 383.271 2.785 20 30 GFEDHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(Cl)s1 ZINC000849474227 661733091 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CN1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccccc1 ZINC000178947346 552180378 /nfs/dbraw/zinc/18/03/78/552180378.db2.gz TXHSBWDEOFSVPV-AEFFLSMTSA-N -1 3 375.881 2.935 20 30 GFEDHM CN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccc(F)cc1 ZINC000180088504 552212869 /nfs/dbraw/zinc/21/28/69/552212869.db2.gz SDGORYDOYBYQTF-UHFFFAOYSA-N -1 3 381.860 2.761 20 30 GFEDHM CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000183820289 552319860 /nfs/dbraw/zinc/31/98/60/552319860.db2.gz KFFUXCIHYXMDPB-SECBINFHSA-N -1 3 390.292 2.856 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000186158083 552380510 /nfs/dbraw/zinc/38/05/10/552380510.db2.gz SIBZLJNWVRURCB-HNNXBMFYSA-N -1 3 378.837 2.794 20 30 GFEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC)CC#N)c(Br)c1 ZINC000186434262 552387359 /nfs/dbraw/zinc/38/73/59/552387359.db2.gz WARHHVCNPQPYJU-LLVKDONJSA-N -1 3 389.271 2.596 20 30 GFEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(C#N)ccc1Br ZINC000191681202 552534723 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GFEDHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccn1 ZINC000432951881 563597806 /nfs/dbraw/zinc/59/78/06/563597806.db2.gz VHVLEKVJJULHAW-UHFFFAOYSA-N -1 3 381.255 2.583 20 30 GFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000435442676 563651291 /nfs/dbraw/zinc/65/12/91/563651291.db2.gz JXEXJSXPEWVWLR-MRXNPFEDSA-N -1 3 375.519 2.735 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000435588078 563653737 /nfs/dbraw/zinc/65/37/37/563653737.db2.gz KCUKIJQJSFUGNQ-IINYFYTJSA-N -1 3 378.263 2.848 20 30 GFEDHM Cc1cc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1C#N ZINC000441340925 563757905 /nfs/dbraw/zinc/75/79/05/563757905.db2.gz LPCKQVCCIFWOEI-UHFFFAOYSA-N -1 3 381.860 2.727 20 30 GFEDHM N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000441372410 563759109 /nfs/dbraw/zinc/75/91/09/563759109.db2.gz PBZZZHYUQNNDIB-UHFFFAOYSA-N -1 3 385.823 2.558 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCN1CCc2sccc2C1 ZINC000443013004 563787309 /nfs/dbraw/zinc/78/73/09/563787309.db2.gz JERJZACRCUWCQL-UHFFFAOYSA-N -1 3 381.910 2.610 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000443021397 563787919 /nfs/dbraw/zinc/78/79/19/563787919.db2.gz UGGVADBEJSXCKQ-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000416429576 563828033 /nfs/dbraw/zinc/82/80/33/563828033.db2.gz WEYKFUUROUQUNW-BFHYXJOUSA-N -1 3 385.283 2.557 20 30 GFEDHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416502178 563840005 /nfs/dbraw/zinc/84/00/05/563840005.db2.gz KTTSFCRVMFBEQV-LLVKDONJSA-N -1 3 387.299 2.804 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416534091 563844673 /nfs/dbraw/zinc/84/46/73/563844673.db2.gz YEXWQOGOKPMFLJ-IUODEOHRSA-N -1 3 385.283 2.580 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1cccnc1 ZINC000416630063 563855651 /nfs/dbraw/zinc/85/56/51/563855651.db2.gz IPOWEVSGWXIJOK-UHFFFAOYSA-N -1 3 394.294 2.972 20 30 GFEDHM C=CCCC[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000447873780 563889526 /nfs/dbraw/zinc/88/95/26/563889526.db2.gz JAOOGQMVFJJDHI-UHFFFAOYSA-N -1 3 393.259 2.919 20 30 GFEDHM COc1cc(Br)c([N-]S(=O)(=O)c2cncc(C#N)c2)cc1OC ZINC000564549236 564238397 /nfs/dbraw/zinc/23/83/97/564238397.db2.gz IUGBTXVAQYDVNA-UHFFFAOYSA-N -1 3 398.238 2.534 20 30 GFEDHM N#Cc1ccc(CNCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000509403255 564296969 /nfs/dbraw/zinc/29/69/69/564296969.db2.gz TWRRJVMEWKNZKK-UHFFFAOYSA-N -1 3 385.823 2.558 20 30 GFEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475799451 564320626 /nfs/dbraw/zinc/32/06/26/564320626.db2.gz USHAPPKAYCNTJV-UHFFFAOYSA-N -1 3 377.853 2.909 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000510559121 564338608 /nfs/dbraw/zinc/33/86/08/564338608.db2.gz MPELSEPPWMODJG-CYBMUJFWSA-N -1 3 386.260 2.662 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CF)CCOCC2)c(C(F)(F)F)c1 ZINC000451818496 564355432 /nfs/dbraw/zinc/35/54/32/564355432.db2.gz XUUXYXQOKCWMFS-UHFFFAOYSA-N -1 3 380.363 2.622 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)c(C(F)(F)F)c1 ZINC000511171269 564361216 /nfs/dbraw/zinc/36/12/16/564361216.db2.gz QNHDKJBMNAJACK-ZDUSSCGKSA-N -1 3 376.400 2.797 20 30 GFEDHM CSCc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000511410854 564371994 /nfs/dbraw/zinc/37/19/94/564371994.db2.gz MCCKPHASVPBUIU-UHFFFAOYSA-N -1 3 377.447 2.808 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000568262805 564412312 /nfs/dbraw/zinc/41/23/12/564412312.db2.gz XYXLNWCATHFRRW-UHFFFAOYSA-N -1 3 377.235 2.569 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000568361887 564415854 /nfs/dbraw/zinc/41/58/54/564415854.db2.gz ISAKTZVCNZVSBF-CJNGLKHVSA-N -1 3 377.238 2.754 20 30 GFEDHM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518458149 564554542 /nfs/dbraw/zinc/55/45/42/564554542.db2.gz SPVYJKWQBNCPCY-LBPRGKRZSA-N -1 3 375.416 2.730 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000571603241 564558262 /nfs/dbraw/zinc/55/82/62/564558262.db2.gz GDMWBOJDQFWVJV-CRAIPNDOSA-N -1 3 376.865 2.656 20 30 GFEDHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)N(C)C)cc1 ZINC000550015185 564612344 /nfs/dbraw/zinc/61/23/44/564612344.db2.gz PQHFQMZQYJYBEJ-OAHLLOKOSA-N -1 3 381.548 2.923 20 30 GFEDHM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000487348960 564684381 /nfs/dbraw/zinc/68/43/81/564684381.db2.gz DZWAKBOAUAKOIK-ZDUSSCGKSA-N -1 3 390.502 2.705 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000556396231 564823390 /nfs/dbraw/zinc/82/33/90/564823390.db2.gz QEZWFXYIGXJSRI-UHFFFAOYSA-N -1 3 397.225 2.621 20 30 GFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000464413423 564906612 /nfs/dbraw/zinc/90/66/12/564906612.db2.gz CURBYYLWMVPBKI-OAHLLOKOSA-N -1 3 387.299 2.991 20 30 GFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1Oc1ccccc1 ZINC000584210203 564924872 /nfs/dbraw/zinc/92/48/72/564924872.db2.gz VZTWWHPNXLUTOY-ZMSDIMECSA-N -1 3 378.475 2.523 20 30 GFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000503306046 565016934 /nfs/dbraw/zinc/01/69/34/565016934.db2.gz OYYNZLZSQBJPBF-ZDUSSCGKSA-N -1 3 399.259 2.755 20 30 GFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000503306045 565017198 /nfs/dbraw/zinc/01/71/98/565017198.db2.gz OYYNZLZSQBJPBF-CYBMUJFWSA-N -1 3 399.259 2.755 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000584848775 565101592 /nfs/dbraw/zinc/10/15/92/565101592.db2.gz AXEIVQJIZJJGET-UHFFFAOYSA-N -1 3 377.235 2.569 20 30 GFEDHM Cc1nccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1Cl ZINC000618974638 565324185 /nfs/dbraw/zinc/32/41/85/565324185.db2.gz XNDAJIYIELOYAW-UHFFFAOYSA-N -1 3 386.658 2.900 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000593537131 565339242 /nfs/dbraw/zinc/33/92/42/565339242.db2.gz FXZRXOJFHVXEFN-NSHDSACASA-N -1 3 383.445 2.703 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccsc2C#N)cc1OC(F)F ZINC000593540176 565339291 /nfs/dbraw/zinc/33/92/91/565339291.db2.gz MTJZLIHPETYEBN-UHFFFAOYSA-N -1 3 388.417 2.751 20 30 GFEDHM COCCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593560486 565341565 /nfs/dbraw/zinc/34/15/65/565341565.db2.gz PGJPGMBGSADHKK-UHFFFAOYSA-N -1 3 380.491 2.822 20 30 GFEDHM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000619548068 565348389 /nfs/dbraw/zinc/34/83/89/565348389.db2.gz BKQRYOZKPPRYOK-OAHLLOKOSA-N -1 3 378.475 2.839 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000594484519 565394229 /nfs/dbraw/zinc/39/42/29/565394229.db2.gz ULHFKTDFCMMAKM-HUUCEWRRSA-N -1 3 398.326 2.616 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594484516 565394909 /nfs/dbraw/zinc/39/49/09/565394909.db2.gz ULHFKTDFCMMAKM-CABCVRRESA-N -1 3 398.326 2.616 20 30 GFEDHM C=CCCC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000620861307 565399600 /nfs/dbraw/zinc/39/96/00/565399600.db2.gz LCFZSAFZIIQRJA-UHFFFAOYSA-N -1 3 395.344 2.650 20 30 GFEDHM CC[C@@]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)(C(N)=O)C(C)C ZINC000594770696 565418926 /nfs/dbraw/zinc/41/89/26/565418926.db2.gz CFWSNTQZXFSEOT-KRWDZBQOSA-N -1 3 379.507 2.650 20 30 GFEDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000594800019 565423181 /nfs/dbraw/zinc/42/31/81/565423181.db2.gz ATWWWGZSQSZDAO-CQSZACIVSA-N -1 3 387.299 2.804 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)cc1F ZINC000594819492 565424962 /nfs/dbraw/zinc/42/49/62/565424962.db2.gz SVCKICYZLOVNFN-AWEZNQCLSA-N -1 3 380.363 2.866 20 30 GFEDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccsc1C#N)COCc1ccccc1 ZINC000594819287 565425374 /nfs/dbraw/zinc/42/53/74/565425374.db2.gz HADLCQYMWQMOBB-KRWDZBQOSA-N -1 3 380.491 2.520 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)ccc1F ZINC000594820006 565426146 /nfs/dbraw/zinc/42/61/46/565426146.db2.gz YMCOIHQXCZOMEK-CQSZACIVSA-N -1 3 380.363 2.866 20 30 GFEDHM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)c(F)c1 ZINC000644274988 565468951 /nfs/dbraw/zinc/46/89/51/565468951.db2.gz LANQJVDGZRTJEZ-CPCISQLKSA-N -1 3 395.296 2.969 20 30 GFEDHM Cn1cc(Br)c(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[n-]1 ZINC000603042270 565882391 /nfs/dbraw/zinc/88/23/91/565882391.db2.gz DUHWYZXOLMYSMB-HIFRSBDPSA-N -1 3 388.269 2.908 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c(F)c1 ZINC000610088745 566065781 /nfs/dbraw/zinc/06/57/81/566065781.db2.gz CYPVSWDSCLYNDP-UHFFFAOYSA-N -1 3 383.242 2.981 20 30 GFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000611292241 566125621 /nfs/dbraw/zinc/12/56/21/566125621.db2.gz BPCIDJJKHZQEFW-ZDUSSCGKSA-N -1 3 385.555 2.669 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000657018140 566206964 /nfs/dbraw/zinc/20/69/64/566206964.db2.gz NYQXFDYHTOMGET-ZANVPECISA-N -1 3 380.691 2.972 20 30 GFEDHM C=CC[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)C1 ZINC000657094081 566222167 /nfs/dbraw/zinc/22/21/67/566222167.db2.gz MLJUFCWGSHKWMH-ZDUSSCGKSA-N -1 3 390.502 2.564 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCOCC1 ZINC000657129600 566227282 /nfs/dbraw/zinc/22/72/82/566227282.db2.gz UWTCIBDEOXCGSM-UHFFFAOYSA-N -1 3 378.263 2.992 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736037415 598884333 /nfs/dbraw/zinc/88/43/33/598884333.db2.gz GTDSIZWPOFRTAR-KGLIPLIRSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736041201 598887728 /nfs/dbraw/zinc/88/77/28/598887728.db2.gz UMMZXVSPKAVNRZ-KBPBESRZSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736041201 598887730 /nfs/dbraw/zinc/88/77/30/598887730.db2.gz UMMZXVSPKAVNRZ-KBPBESRZSA-N -1 3 393.403 2.516 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735426792 598949488 /nfs/dbraw/zinc/94/94/88/598949488.db2.gz WYLKAIJHWSUFRL-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735426792 598949490 /nfs/dbraw/zinc/94/94/90/598949490.db2.gz WYLKAIJHWSUFRL-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963629 599029173 /nfs/dbraw/zinc/02/91/73/599029173.db2.gz IQFSEJCFVDMSOV-AWEZNQCLSA-N -1 3 376.420 2.820 20 30 GFEDHM Cc1ccc(-c2cnc(CSc3nc(N)c(-c4nnn[n-]4)cc3C#N)o2)cc1 ZINC000822214109 599124250 /nfs/dbraw/zinc/12/42/50/599124250.db2.gz PUHFSNHHYPKISW-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM Cc1ccc(-c2cnc(CSc3nc(N)c(-c4nn[n-]n4)cc3C#N)o2)cc1 ZINC000822214109 599124252 /nfs/dbraw/zinc/12/42/52/599124252.db2.gz PUHFSNHHYPKISW-UHFFFAOYSA-N -1 3 390.432 2.971 20 30 GFEDHM COc1ccc(CN=Nc2ncnc3sc4c(c32)CCC4)cc1-c1nnn[n-]1 ZINC000737082368 599126505 /nfs/dbraw/zinc/12/65/05/599126505.db2.gz IUCACYXFMXDZHV-UHFFFAOYSA-N -1 3 392.448 2.815 20 30 GFEDHM COc1ccc(CN=Nc2ncnc3sc4c(c32)CCC4)cc1-c1nn[n-]n1 ZINC000737082368 599126508 /nfs/dbraw/zinc/12/65/08/599126508.db2.gz IUCACYXFMXDZHV-UHFFFAOYSA-N -1 3 392.448 2.815 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1NC(C)=O ZINC000737064351 599154124 /nfs/dbraw/zinc/15/41/24/599154124.db2.gz BCKLYJKHEUWZJO-DAXSKMNVSA-N -1 3 393.403 2.738 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1NC(C)=O ZINC000737064351 599154127 /nfs/dbraw/zinc/15/41/27/599154127.db2.gz BCKLYJKHEUWZJO-DAXSKMNVSA-N -1 3 393.403 2.738 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737546743 599194750 /nfs/dbraw/zinc/19/47/50/599194750.db2.gz FVCXKZDLNHJOAG-UHFFFAOYSA-N -1 3 384.359 2.554 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737546743 599194752 /nfs/dbraw/zinc/19/47/52/599194752.db2.gz FVCXKZDLNHJOAG-UHFFFAOYSA-N -1 3 384.359 2.554 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000737033414 599202345 /nfs/dbraw/zinc/20/23/45/599202345.db2.gz OOEKHCLTKBFDDJ-VBKZILBWSA-N -1 3 398.467 2.623 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000737033414 599202346 /nfs/dbraw/zinc/20/23/46/599202346.db2.gz OOEKHCLTKBFDDJ-VBKZILBWSA-N -1 3 398.467 2.623 20 30 GFEDHM Cc1nc(SCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483279 599202521 /nfs/dbraw/zinc/20/25/21/599202521.db2.gz MYGZDMNECAWDPV-WYRIXSBYSA-N -1 3 399.524 2.868 20 30 GFEDHM Cc1nc(SCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483279 599202523 /nfs/dbraw/zinc/20/25/23/599202523.db2.gz MYGZDMNECAWDPV-WYRIXSBYSA-N -1 3 399.524 2.868 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737697656 599242880 /nfs/dbraw/zinc/24/28/80/599242880.db2.gz KLGHTVGOGVWNCT-UHFFFAOYSA-N -1 3 398.810 2.578 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819701301 599261271 /nfs/dbraw/zinc/26/12/71/599261271.db2.gz BRRUUHISERQKHR-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819701301 599261274 /nfs/dbraw/zinc/26/12/74/599261274.db2.gz BRRUUHISERQKHR-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM C=CCNc1ncc(C(=O)N(CC=C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819750262 607323889 /nfs/dbraw/zinc/32/38/89/607323889.db2.gz BPRNOBMIOZRZKP-UHFFFAOYSA-N -1 3 381.465 2.750 20 30 GFEDHM C=CCNc1ncc(C(=O)N(CC=C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819750262 607323890 /nfs/dbraw/zinc/32/38/90/607323890.db2.gz BPRNOBMIOZRZKP-UHFFFAOYSA-N -1 3 381.465 2.750 20 30 GFEDHM O=C(NCC#Cc1ccccc1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738037629 598330698 /nfs/dbraw/zinc/33/06/98/598330698.db2.gz DTODWIMCBIXEAI-UHFFFAOYSA-N -1 3 399.410 2.820 20 30 GFEDHM O=C(NCC#Cc1ccccc1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738037629 598330699 /nfs/dbraw/zinc/33/06/99/598330699.db2.gz DTODWIMCBIXEAI-UHFFFAOYSA-N -1 3 399.410 2.820 20 30 GFEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735380178 598408026 /nfs/dbraw/zinc/40/80/26/598408026.db2.gz DOTJVFIEYWEGAL-SFHVURJKSA-N -1 3 388.431 2.695 20 30 GFEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735380178 598408028 /nfs/dbraw/zinc/40/80/28/598408028.db2.gz DOTJVFIEYWEGAL-SFHVURJKSA-N -1 3 388.431 2.695 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737796287 598439925 /nfs/dbraw/zinc/43/99/25/598439925.db2.gz NOEQTIXUSFRHKF-KRXBUXKQSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737796287 598439926 /nfs/dbraw/zinc/43/99/26/598439926.db2.gz NOEQTIXUSFRHKF-KRXBUXKQSA-N -1 3 379.395 2.739 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737721141 598545718 /nfs/dbraw/zinc/54/57/18/598545718.db2.gz HHPALILVVIWYCB-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737721141 598545720 /nfs/dbraw/zinc/54/57/20/598545720.db2.gz HHPALILVVIWYCB-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737720975 598562515 /nfs/dbraw/zinc/56/25/15/598562515.db2.gz DLOHHJQPEOKVLR-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737720975 598562516 /nfs/dbraw/zinc/56/25/16/598562516.db2.gz DLOHHJQPEOKVLR-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737717437 598574877 /nfs/dbraw/zinc/57/48/77/598574877.db2.gz CWPYYIVQPXZDDU-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737717437 598574878 /nfs/dbraw/zinc/57/48/78/598574878.db2.gz CWPYYIVQPXZDDU-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM COc1cc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)ccc1SC ZINC000737047665 598585203 /nfs/dbraw/zinc/58/52/03/598585203.db2.gz PBQQGOZQMBNVQG-UHFFFAOYSA-N -1 3 385.478 2.738 20 30 GFEDHM COc1cc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)ccc1SC ZINC000737047665 598585204 /nfs/dbraw/zinc/58/52/04/598585204.db2.gz PBQQGOZQMBNVQG-UHFFFAOYSA-N -1 3 385.478 2.738 20 30 GFEDHM Cc1cc(C(=O)NC2(C#N)CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235650 598618941 /nfs/dbraw/zinc/61/89/41/598618941.db2.gz XHTJNQGPLWTVRC-UHFFFAOYSA-N -1 3 375.436 2.840 20 30 GFEDHM CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821165397 607363611 /nfs/dbraw/zinc/36/36/11/607363611.db2.gz QXUUFCZLJMFWIA-ZDUSSCGKSA-N -1 3 393.451 2.970 20 30 GFEDHM COCCN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736995667 598701666 /nfs/dbraw/zinc/70/16/66/598701666.db2.gz WJTJWFHZJFXWTN-UHFFFAOYSA-N -1 3 392.419 2.661 20 30 GFEDHM COCCN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736995667 598701668 /nfs/dbraw/zinc/70/16/68/598701668.db2.gz WJTJWFHZJFXWTN-UHFFFAOYSA-N -1 3 392.419 2.661 20 30 GFEDHM CCOc1ccc(C=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821418205 599381636 /nfs/dbraw/zinc/38/16/36/599381636.db2.gz XTDCHNURTVNQHZ-UHFFFAOYSA-N -1 3 391.391 2.866 20 30 GFEDHM CCOc1ccc(C=NOCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000821418205 599381639 /nfs/dbraw/zinc/38/16/39/599381639.db2.gz XTDCHNURTVNQHZ-UHFFFAOYSA-N -1 3 391.391 2.866 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCc1cccn1C ZINC000819744151 599677635 /nfs/dbraw/zinc/67/76/35/599677635.db2.gz YAPKGVWBOWQIAG-INIZCTEOSA-N -1 3 393.495 2.924 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCc1cccn1C ZINC000819744151 599677636 /nfs/dbraw/zinc/67/76/36/599677636.db2.gz YAPKGVWBOWQIAG-INIZCTEOSA-N -1 3 393.495 2.924 20 30 GFEDHM N#Cc1ccc(CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C2CC2)cc1 ZINC000822826156 599679686 /nfs/dbraw/zinc/67/96/86/599679686.db2.gz VAVUXRBRTGRTAM-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM N#Cc1ccc(CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C2CC2)cc1 ZINC000822826156 599679687 /nfs/dbraw/zinc/67/96/87/599679687.db2.gz VAVUXRBRTGRTAM-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)c2ccccc2OCC#N)cc1-c1nnn[n-]1 ZINC000820173565 607400135 /nfs/dbraw/zinc/40/01/35/607400135.db2.gz IDWSZTWAYADGIP-UHFFFAOYSA-N -1 3 378.392 2.809 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)c2ccccc2OCC#N)cc1-c1nn[n-]n1 ZINC000820173565 607400137 /nfs/dbraw/zinc/40/01/37/607400137.db2.gz IDWSZTWAYADGIP-UHFFFAOYSA-N -1 3 378.392 2.809 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824729668 607428167 /nfs/dbraw/zinc/42/81/67/607428167.db2.gz LNDYPDGGKLNWFA-RDTXWAMCSA-N -1 3 376.420 2.795 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823919489 607490086 /nfs/dbraw/zinc/49/00/86/607490086.db2.gz HYHAWMXYWPOSDL-UHFFFAOYSA-N -1 3 380.408 2.972 20 30 GFEDHM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000833065063 601845808 /nfs/dbraw/zinc/84/58/08/601845808.db2.gz RCCYISHDAJBHKM-MRXNPFEDSA-N -1 3 378.432 2.800 20 30 GFEDHM C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1CNC(=O)[O-] ZINC000825919581 603716832 /nfs/dbraw/zinc/71/68/32/603716832.db2.gz PBFHFYMQAABLDG-VNHYZAJKSA-N -1 3 386.477 2.841 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000826245986 607658377 /nfs/dbraw/zinc/65/83/77/607658377.db2.gz NYDFMOCDDMDRIY-OAHLLOKOSA-N -1 3 397.236 2.932 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000826245986 607658379 /nfs/dbraw/zinc/65/83/79/607658379.db2.gz NYDFMOCDDMDRIY-OAHLLOKOSA-N -1 3 397.236 2.932 20 30 GFEDHM C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833379957 605233716 /nfs/dbraw/zinc/23/37/16/605233716.db2.gz RLMDUHXROSWABP-HNNXBMFYSA-N -1 3 392.525 2.732 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000825545282 607760318 /nfs/dbraw/zinc/76/03/18/607760318.db2.gz OQVLUUDSNMXACB-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000825545282 607760319 /nfs/dbraw/zinc/76/03/19/607760319.db2.gz OQVLUUDSNMXACB-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM C#CCN1CCC(C(=O)N[C@@H](CNC(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000833787619 605674975 /nfs/dbraw/zinc/67/49/75/605674975.db2.gz VTKONMSUUMYWJP-FQEVSTJZSA-N -1 3 379.460 2.610 20 30 GFEDHM N#C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000822800957 606169705 /nfs/dbraw/zinc/16/97/05/606169705.db2.gz BUBWJQPIWKYUCA-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000822800957 606169707 /nfs/dbraw/zinc/16/97/07/606169707.db2.gz BUBWJQPIWKYUCA-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000822801928 606169787 /nfs/dbraw/zinc/16/97/87/606169787.db2.gz RKIOCBRNCCAXAM-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000822801928 606169788 /nfs/dbraw/zinc/16/97/88/606169788.db2.gz RKIOCBRNCCAXAM-SFHVURJKSA-N -1 3 375.388 2.905 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821334533 606304887 /nfs/dbraw/zinc/30/48/87/606304887.db2.gz NGEBQKKFLGFNJZ-SREVYHEPSA-N -1 3 384.417 2.766 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821334533 606304888 /nfs/dbraw/zinc/30/48/88/606304888.db2.gz NGEBQKKFLGFNJZ-SREVYHEPSA-N -1 3 384.417 2.766 20 30 GFEDHM N#Cc1cnc2ccccc2c1OCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822842769 606465333 /nfs/dbraw/zinc/46/53/33/606465333.db2.gz XVVSIWSOPBXRIM-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM N#Cc1cnc2ccccc2c1OCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822842769 606465335 /nfs/dbraw/zinc/46/53/35/606465335.db2.gz XVVSIWSOPBXRIM-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM N#Cc1nnc2ccccc2c1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822845722 606481918 /nfs/dbraw/zinc/48/19/18/606481918.db2.gz FURXYWLSXBNRHE-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1nnc2ccccc2c1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822845722 606481920 /nfs/dbraw/zinc/48/19/20/606481920.db2.gz FURXYWLSXBNRHE-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1OC ZINC000820843361 606512440 /nfs/dbraw/zinc/51/24/40/606512440.db2.gz XDRDXBAYMRQPTL-CYBMUJFWSA-N -1 3 398.448 2.548 20 30 GFEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1OC ZINC000820843361 606512441 /nfs/dbraw/zinc/51/24/41/606512441.db2.gz XDRDXBAYMRQPTL-CYBMUJFWSA-N -1 3 398.448 2.548 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822837850 606945288 /nfs/dbraw/zinc/94/52/88/606945288.db2.gz VNLATZTWQNPVDW-KTKRTIGZSA-N -1 3 375.388 2.764 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822837850 606945290 /nfs/dbraw/zinc/94/52/90/606945290.db2.gz VNLATZTWQNPVDW-KTKRTIGZSA-N -1 3 375.388 2.764 20 30 GFEDHM N#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822836982 606979171 /nfs/dbraw/zinc/97/91/71/606979171.db2.gz CWMNWRRKFIPZJQ-UHFFFAOYSA-N -1 3 399.370 2.836 20 30 GFEDHM N#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822836982 606979173 /nfs/dbraw/zinc/97/91/73/606979173.db2.gz CWMNWRRKFIPZJQ-UHFFFAOYSA-N -1 3 399.370 2.836 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821609763 606992191 /nfs/dbraw/zinc/99/21/91/606992191.db2.gz KWQWUKSLQKOKPH-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821609763 606992193 /nfs/dbraw/zinc/99/21/93/606992193.db2.gz KWQWUKSLQKOKPH-UHFFFAOYSA-N -1 3 376.420 2.554 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820313347 607050733 /nfs/dbraw/zinc/05/07/33/607050733.db2.gz DBPDSIJNKLKWCB-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820313347 607050736 /nfs/dbraw/zinc/05/07/36/607050736.db2.gz DBPDSIJNKLKWCB-CYBMUJFWSA-N -1 3 376.420 2.773 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(CCC#N)c1ccccc1 ZINC000821413305 607125169 /nfs/dbraw/zinc/12/51/69/607125169.db2.gz ZRKVODIKTSBNTA-UHFFFAOYSA-N -1 3 391.435 2.624 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(CCC#N)c1ccccc1 ZINC000821413305 607125171 /nfs/dbraw/zinc/12/51/71/607125171.db2.gz ZRKVODIKTSBNTA-UHFFFAOYSA-N -1 3 391.435 2.624 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821399849 607237532 /nfs/dbraw/zinc/23/75/32/607237532.db2.gz CIVHJSRGYSAJJS-UHFFFAOYSA-N -1 3 392.419 2.933 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821399849 607237533 /nfs/dbraw/zinc/23/75/33/607237533.db2.gz CIVHJSRGYSAJJS-UHFFFAOYSA-N -1 3 392.419 2.933 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COc2cccc(F)c2C#N)c1-c1nnn[n-]1 ZINC000826332883 607866152 /nfs/dbraw/zinc/86/61/52/607866152.db2.gz LKVNYCJKFWJONX-UHFFFAOYSA-N -1 3 375.367 2.951 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000826401880 607884952 /nfs/dbraw/zinc/88/49/52/607884952.db2.gz ISDAGKYJUKLKJO-JXMROGBWSA-N -1 3 390.371 2.759 20 30 GFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000826401880 607884953 /nfs/dbraw/zinc/88/49/53/607884953.db2.gz ISDAGKYJUKLKJO-JXMROGBWSA-N -1 3 390.371 2.759 20 30 GFEDHM Clc1ccc(C#CCN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826351430 608068779 /nfs/dbraw/zinc/06/87/79/608068779.db2.gz MHUCQSOQMPEWEC-IBGZPJMESA-N -1 3 379.851 2.945 20 30 GFEDHM Clc1ccc(C#CCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826351430 608068780 /nfs/dbraw/zinc/06/87/80/608068780.db2.gz MHUCQSOQMPEWEC-IBGZPJMESA-N -1 3 379.851 2.945 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C2OCCO2)c1 ZINC000823915333 608120129 /nfs/dbraw/zinc/12/01/29/608120129.db2.gz VFWXGADIPMFQTQ-UHFFFAOYSA-N -1 3 391.431 2.741 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C2OCCO2)c1 ZINC000823915333 608120130 /nfs/dbraw/zinc/12/01/30/608120130.db2.gz VFWXGADIPMFQTQ-UHFFFAOYSA-N -1 3 391.431 2.741 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)OCC ZINC000823874259 608162147 /nfs/dbraw/zinc/16/21/47/608162147.db2.gz USVYTLKNUWLEKG-GFCCVEGCSA-N -1 3 380.792 2.738 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)OCC ZINC000823874259 608162149 /nfs/dbraw/zinc/16/21/49/608162149.db2.gz USVYTLKNUWLEKG-GFCCVEGCSA-N -1 3 380.792 2.738 20 30 GFEDHM C#CCCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823838629 608323008 /nfs/dbraw/zinc/32/30/08/608323008.db2.gz SARSWRRCKOVXKW-NSHDSACASA-N -1 3 375.816 2.584 20 30 GFEDHM C#CCCCCC(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823838629 608323010 /nfs/dbraw/zinc/32/30/10/608323010.db2.gz SARSWRRCKOVXKW-NSHDSACASA-N -1 3 375.816 2.584 20 30 GFEDHM N#Cc1ccsc1NC(=O)CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387784 608466508 /nfs/dbraw/zinc/46/65/08/608466508.db2.gz QSDNFJVDTPUNRO-UHFFFAOYSA-N -1 3 391.460 2.528 20 30 GFEDHM N#Cc1ccsc1NC(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387784 608466511 /nfs/dbraw/zinc/46/65/11/608466511.db2.gz QSDNFJVDTPUNRO-UHFFFAOYSA-N -1 3 391.460 2.528 20 30 GFEDHM COCCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1 ZINC000826153109 608537562 /nfs/dbraw/zinc/53/75/62/608537562.db2.gz BSZOQOPJJLEMTG-UHFFFAOYSA-N -1 3 375.795 2.907 20 30 GFEDHM COCCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000826153109 608537564 /nfs/dbraw/zinc/53/75/64/608537564.db2.gz BSZOQOPJJLEMTG-UHFFFAOYSA-N -1 3 375.795 2.907 20 30 GFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)OCCCO2 ZINC000823958155 608538145 /nfs/dbraw/zinc/53/81/45/608538145.db2.gz FPXWVPCQKIKOFX-UHFFFAOYSA-N -1 3 385.815 2.913 20 30 GFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)OCCCO2 ZINC000823958155 608538146 /nfs/dbraw/zinc/53/81/46/608538146.db2.gz FPXWVPCQKIKOFX-UHFFFAOYSA-N -1 3 385.815 2.913 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2nccn2Cc2ccccc2)n1 ZINC000826351047 608538211 /nfs/dbraw/zinc/53/82/11/608538211.db2.gz VPGWICSLWJBSQX-UHFFFAOYSA-N -1 3 379.815 2.606 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2nccn2Cc2ccccc2)n1 ZINC000826351047 608538212 /nfs/dbraw/zinc/53/82/12/608538212.db2.gz VPGWICSLWJBSQX-UHFFFAOYSA-N -1 3 379.815 2.606 20 30 GFEDHM Cc1c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cnn1-c1ccccn1 ZINC000823958316 608539601 /nfs/dbraw/zinc/53/96/01/608539601.db2.gz IRVRJCRVOYWSGI-UHFFFAOYSA-N -1 3 394.830 2.640 20 30 GFEDHM Cc1c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cnn1-c1ccccn1 ZINC000823958316 608539602 /nfs/dbraw/zinc/53/96/02/608539602.db2.gz IRVRJCRVOYWSGI-UHFFFAOYSA-N -1 3 394.830 2.640 20 30 GFEDHM OC1(C(F)(F)F)CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000826505236 608540034 /nfs/dbraw/zinc/54/00/34/608540034.db2.gz QCTZMNFIWOMLIP-UHFFFAOYSA-N -1 3 375.742 2.550 20 30 GFEDHM OC1(C(F)(F)F)CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000826505236 608540036 /nfs/dbraw/zinc/54/00/36/608540036.db2.gz QCTZMNFIWOMLIP-UHFFFAOYSA-N -1 3 375.742 2.550 20 30 GFEDHM C=CCOc1ccc(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000823931853 608571118 /nfs/dbraw/zinc/57/11/18/608571118.db2.gz HVQRVOWDBPAWHF-UHFFFAOYSA-N -1 3 376.420 2.958 20 30 GFEDHM C=CCOc1ccc(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000823931853 608571121 /nfs/dbraw/zinc/57/11/21/608571121.db2.gz HVQRVOWDBPAWHF-UHFFFAOYSA-N -1 3 376.420 2.958 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826186321 609156808 /nfs/dbraw/zinc/15/68/08/609156808.db2.gz NMIGBQNJCXUZKT-NSHDSACASA-N -1 3 379.380 2.810 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826186321 609156810 /nfs/dbraw/zinc/15/68/10/609156810.db2.gz NMIGBQNJCXUZKT-NSHDSACASA-N -1 3 379.380 2.810 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1-c1ccc(F)cc1 ZINC000826260253 609186859 /nfs/dbraw/zinc/18/68/59/609186859.db2.gz DBQPVLJPEUBATH-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1-c1ccc(F)cc1 ZINC000826260253 609186862 /nfs/dbraw/zinc/18/68/62/609186862.db2.gz DBQPVLJPEUBATH-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1-c1ccc(C)cc1 ZINC000826281268 609187131 /nfs/dbraw/zinc/18/71/31/609187131.db2.gz LEMSWJXAQUADHJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1-c1ccc(C)cc1 ZINC000826281268 609187132 /nfs/dbraw/zinc/18/71/32/609187132.db2.gz LEMSWJXAQUADHJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824654886 609239786 /nfs/dbraw/zinc/23/97/86/609239786.db2.gz ADFBTCYIEBVFCT-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824654886 609239787 /nfs/dbraw/zinc/23/97/87/609239787.db2.gz ADFBTCYIEBVFCT-CQSZACIVSA-N -1 3 389.463 2.873 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1CC#N ZINC000825333449 609259918 /nfs/dbraw/zinc/25/99/18/609259918.db2.gz YTMLFKIDHNLMCF-UHFFFAOYSA-N -1 3 375.436 2.936 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cs1)C1CC1 ZINC000823967843 609271023 /nfs/dbraw/zinc/27/10/23/609271023.db2.gz QTDGSXMFAAMAFA-CLTKARDFSA-N -1 3 398.423 2.874 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cs1)C1CC1 ZINC000823967843 609271024 /nfs/dbraw/zinc/27/10/24/609271024.db2.gz QTDGSXMFAAMAFA-CLTKARDFSA-N -1 3 398.423 2.874 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000826178713 609271751 /nfs/dbraw/zinc/27/17/51/609271751.db2.gz JJRBEVXVNLTCGC-DAXSKMNVSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000826178713 609271752 /nfs/dbraw/zinc/27/17/52/609271752.db2.gz JJRBEVXVNLTCGC-DAXSKMNVSA-N -1 3 384.367 2.928 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000823909563 609282474 /nfs/dbraw/zinc/28/24/74/609282474.db2.gz JHVUYKRSQABSST-UHFFFAOYSA-N -1 3 391.435 2.555 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000823909563 609282476 /nfs/dbraw/zinc/28/24/76/609282476.db2.gz JHVUYKRSQABSST-UHFFFAOYSA-N -1 3 391.435 2.555 20 30 GFEDHM N#CC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCCCC1 ZINC000826380327 609289346 /nfs/dbraw/zinc/28/93/46/609289346.db2.gz VOIDQYUKWOIODX-UHFFFAOYSA-N -1 3 380.387 2.604 20 30 GFEDHM Cn1cc(C=NNc2cccc([N+](=O)[O-])c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360302 609304910 /nfs/dbraw/zinc/30/49/10/609304910.db2.gz FNJDFQDJBBCSMI-UHFFFAOYSA-N -1 3 389.379 2.621 20 30 GFEDHM Cn1cc(C=NNc2cccc([N+](=O)[O-])c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360302 609304911 /nfs/dbraw/zinc/30/49/11/609304911.db2.gz FNJDFQDJBBCSMI-UHFFFAOYSA-N -1 3 389.379 2.621 20 30 GFEDHM C=C(COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C(=O)OCC ZINC000823883697 609350641 /nfs/dbraw/zinc/35/06/41/609350641.db2.gz XRULKHAAWSQMFV-UHFFFAOYSA-N -1 3 394.387 2.935 20 30 GFEDHM C=C(COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C(=O)OCC ZINC000823883697 609350642 /nfs/dbraw/zinc/35/06/42/609350642.db2.gz XRULKHAAWSQMFV-UHFFFAOYSA-N -1 3 394.387 2.935 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000826293406 609417458 /nfs/dbraw/zinc/41/74/58/609417458.db2.gz ONSPJMXIFDNYCL-SECBINFHSA-N -1 3 382.409 2.786 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000826293406 609417461 /nfs/dbraw/zinc/41/74/61/609417461.db2.gz ONSPJMXIFDNYCL-SECBINFHSA-N -1 3 382.409 2.786 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)c1 ZINC000826386804 609454400 /nfs/dbraw/zinc/45/44/00/609454400.db2.gz SZTUNQWSZMMJLN-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)c1 ZINC000826386804 609454402 /nfs/dbraw/zinc/45/44/02/609454402.db2.gz SZTUNQWSZMMJLN-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM O=[N+]([O-])c1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c(Cl)c1 ZINC000826498516 609470007 /nfs/dbraw/zinc/47/00/07/609470007.db2.gz YLYFKGFXGZJLIU-UHFFFAOYSA-N -1 3 379.167 2.923 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc2c1OCCO2 ZINC000826179078 609474248 /nfs/dbraw/zinc/47/42/48/609474248.db2.gz YKFMXOLDTIFXER-UHFFFAOYSA-N -1 3 386.799 2.746 20 30 GFEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc2c1OCCO2 ZINC000826179078 609474250 /nfs/dbraw/zinc/47/42/50/609474250.db2.gz YKFMXOLDTIFXER-UHFFFAOYSA-N -1 3 386.799 2.746 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1C#N ZINC000826238446 609582926 /nfs/dbraw/zinc/58/29/26/609582926.db2.gz GJABHJRIYMAZTB-INIZCTEOSA-N -1 3 381.827 2.673 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1C#N ZINC000826238446 609582928 /nfs/dbraw/zinc/58/29/28/609582928.db2.gz GJABHJRIYMAZTB-INIZCTEOSA-N -1 3 381.827 2.673 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)cc2C#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260482 609594188 /nfs/dbraw/zinc/59/41/88/609594188.db2.gz QFTMETHRIAGPSV-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Cc1cc(C(=O)Nc2ccc(F)cc2C#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260482 609594189 /nfs/dbraw/zinc/59/41/89/609594189.db2.gz QFTMETHRIAGPSV-UHFFFAOYSA-N -1 3 388.366 2.624 20 30 GFEDHM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000822767067 660353992 /nfs/dbraw/zinc/35/39/92/660353992.db2.gz VKULQMQHNIQMAX-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000822767067 660353993 /nfs/dbraw/zinc/35/39/93/660353993.db2.gz VKULQMQHNIQMAX-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc(Br)c(F)cc1[O-] ZINC000837781371 661015828 /nfs/dbraw/zinc/01/58/28/661015828.db2.gz XTHDBHVINSRYOJ-HNNXBMFYSA-N -1 3 387.205 2.505 20 30 GFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000281877574 655339768 /nfs/dbraw/zinc/33/97/68/655339768.db2.gz CYUDITOQZGIWNV-ZETCQYMHSA-N -1 3 376.385 2.777 20 30 GFEDHM C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H](c2ccsc2)O1 ZINC000330103978 655387708 /nfs/dbraw/zinc/38/77/08/655387708.db2.gz HGNAMOGARDLQFY-SCZZXKLOSA-N -1 3 375.376 2.761 20 30 GFEDHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)sc1Br ZINC000574249384 655427274 /nfs/dbraw/zinc/42/72/74/655427274.db2.gz RGZHEZKNACWFPU-UHFFFAOYSA-N -1 3 378.317 2.717 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000574792143 655430791 /nfs/dbraw/zinc/43/07/91/655430791.db2.gz VAQNBGAFHGJAOZ-GWCFXTLKSA-N -1 3 383.363 2.984 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(SC)cn2)ccc1F ZINC000734827393 655635048 /nfs/dbraw/zinc/63/50/48/655635048.db2.gz AGKPREUOBQWKBZ-UHFFFAOYSA-N -1 3 381.454 2.659 20 30 GFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000735081532 655638816 /nfs/dbraw/zinc/63/88/16/655638816.db2.gz FFZSDZCCFYOFLB-QMMMGPOBSA-N -1 3 380.235 2.618 20 30 GFEDHM NS(=O)(=O)c1ccc(N=NCc2cc(Cl)c3ccccc3c2[O-])nc1 ZINC000774589636 656539096 /nfs/dbraw/zinc/53/90/96/656539096.db2.gz JUFXRYSTIZAGRE-UHFFFAOYSA-N -1 3 376.825 2.687 20 30 GFEDHM NS(=O)(=O)c1ccc(NN=Cc2cc(Cl)c3ccccc3c2[O-])nc1 ZINC000774589636 656539110 /nfs/dbraw/zinc/53/91/10/656539110.db2.gz JUFXRYSTIZAGRE-UHFFFAOYSA-N -1 3 376.825 2.687 20 30 GFEDHM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C#N)cc1 ZINC000783342058 657224567 /nfs/dbraw/zinc/22/45/67/657224567.db2.gz XDOOVNFVZDJKCF-SNVBAGLBSA-N -1 3 384.866 2.856 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](SC)C(C)(C)C)ccc1F ZINC000784159059 657292794 /nfs/dbraw/zinc/29/27/94/657292794.db2.gz IQPCWNFYOGYZBK-OAHLLOKOSA-N -1 3 388.530 2.798 20 30 GFEDHM COc1ccc(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)c(F)c1 ZINC000791172683 658065168 /nfs/dbraw/zinc/06/51/68/658065168.db2.gz HLHXQAYQZICVNV-UHFFFAOYSA-N -1 3 394.200 2.631 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccc(Cl)cc1F ZINC000796088145 658888513 /nfs/dbraw/zinc/88/85/13/658888513.db2.gz XIAZIYOISRDHKC-ZDUSSCGKSA-N -1 3 387.841 2.980 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)ccc1F ZINC000844812644 661441647 /nfs/dbraw/zinc/44/16/47/661441647.db2.gz FNANCGCOMTUKCP-CVEARBPZSA-N -1 3 392.855 2.725 20 30 GFEDHM C#C[C@@](C)(CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000854694783 661947918 /nfs/dbraw/zinc/94/79/18/661947918.db2.gz LMVZHYKNCACBRD-HNNXBMFYSA-N -1 3 377.293 2.580 20 30 GFEDHM C=CCCO[N-]C(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000856031035 662017194 /nfs/dbraw/zinc/01/71/94/662017194.db2.gz BRNISVKCOXCRBB-GFCCVEGCSA-N -1 3 397.269 2.541 20 30 GFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000859426149 662161826 /nfs/dbraw/zinc/16/18/26/662161826.db2.gz OCPHWIANGHSFIW-LLVKDONJSA-N -1 3 380.691 2.809 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-]Cc2ncc(Br)s2)CCCCC1 ZINC000867863729 662584036 /nfs/dbraw/zinc/58/40/36/662584036.db2.gz YFGGFUSWIRUEJA-UHFFFAOYSA-N -1 3 378.317 2.799 20 30 GFEDHM O=C(Nc1ccc(Br)cc1C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000878376374 662894821 /nfs/dbraw/zinc/89/48/21/662894821.db2.gz ZERVCCZYGHLTEY-SNVBAGLBSA-N -1 3 396.163 2.970 20 30 GFEDHM COc1cc(CN[C@@H]2CCCN([O-])C2=O)cc(Br)c1OC(F)F ZINC000895164155 663501389 /nfs/dbraw/zinc/50/13/89/663501389.db2.gz DCWAVSRBIGAYEA-SNVBAGLBSA-N -1 3 395.200 2.529 20 30 GFEDHM CS(=O)(=O)NCc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)o1 ZINC000901379268 663734986 /nfs/dbraw/zinc/73/49/86/663734986.db2.gz YIYDOSQHNPOLQA-UHFFFAOYSA-N -1 3 393.248 2.667 20 30 GFEDHM Cc1cccc(S(=O)(=O)[N-]c2c(Br)cnn2C2CC2)c1C#N ZINC000903673259 663801481 /nfs/dbraw/zinc/80/14/81/663801481.db2.gz JYOGZUDVWWPURH-UHFFFAOYSA-N -1 3 381.255 2.961 20 30 GFEDHM O=C(c1ccnc(N2CCOCC2)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178729 663826910 /nfs/dbraw/zinc/82/69/10/663826910.db2.gz SFMJIRBHESDTSR-UHFFFAOYSA-N -1 3 383.235 2.652 20 30 GFEDHM CC(C)(C)n1cc(CN=Cc2cc(Br)ccc2[O-])c(=O)[nH]c1=O ZINC000905002849 663849054 /nfs/dbraw/zinc/84/90/54/663849054.db2.gz RWECQOXUAAMWFS-CNHKJKLMSA-N -1 3 380.242 2.791 20 30 GFEDHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000056036900 551175827 /nfs/dbraw/zinc/17/58/27/551175827.db2.gz HYEYYMGJMFXOPO-UHFFFAOYSA-N -1 3 375.397 2.863 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000121233244 551230103 /nfs/dbraw/zinc/23/01/03/551230103.db2.gz RNZUEKWWZKAYQA-GXTWGEPZSA-N -1 3 377.809 2.954 20 30 GFEDHM COc1cccc(COCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000154706122 551481286 /nfs/dbraw/zinc/48/12/86/551481286.db2.gz ZOWIWWDWZHBBQN-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000156188989 551517265 /nfs/dbraw/zinc/51/72/65/551517265.db2.gz FVXCHJMPAFXUHO-CYBMUJFWSA-N -1 3 375.431 2.982 20 30 GFEDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156657573 551526392 /nfs/dbraw/zinc/52/63/92/551526392.db2.gz FENHCEDLDDCIEK-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM N#Cc1cc(F)ccc1[N-]C(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000156718084 551527471 /nfs/dbraw/zinc/52/74/71/551527471.db2.gz DRGDFFFYGSJDIE-UHFFFAOYSA-N -1 3 390.172 2.945 20 30 GFEDHM Cc1csc(CCCC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1 ZINC000157108176 551533403 /nfs/dbraw/zinc/53/34/03/551533403.db2.gz OKFJQFJVYPSRPP-UHFFFAOYSA-N -1 3 380.451 2.533 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000157652713 551541013 /nfs/dbraw/zinc/54/10/13/551541013.db2.gz JYQBMDWIPNHCIF-UHFFFAOYSA-N -1 3 378.435 2.671 20 30 GFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1F ZINC000170940665 551643473 /nfs/dbraw/zinc/64/34/73/551643473.db2.gz PYNFODBLCPTMAP-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC(=O)Nc1ccc(Cl)cc1 ZINC000178519713 552171767 /nfs/dbraw/zinc/17/17/67/552171767.db2.gz XLMVPQXIVYIZHM-UHFFFAOYSA-N -1 3 384.244 2.782 20 30 GFEDHM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cc(Br)ccc1[O-] ZINC000180585003 552230695 /nfs/dbraw/zinc/23/06/95/552230695.db2.gz VCTGODAZNAFOOX-LBPRGKRZSA-N -1 3 388.269 2.527 20 30 GFEDHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000184955013 552348921 /nfs/dbraw/zinc/34/89/21/552348921.db2.gz HLJFEJFTVJVTRA-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NCC1CCCC1 ZINC000185306896 552360445 /nfs/dbraw/zinc/36/04/45/552360445.db2.gz XMLSMDUDQCGZJV-UHFFFAOYSA-N -1 3 383.901 2.575 20 30 GFEDHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000186230405 552382286 /nfs/dbraw/zinc/38/22/86/552382286.db2.gz HGCYJLGSLOZPBS-UHFFFAOYSA-N -1 3 378.837 2.519 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c[nH]cc(Br)c2=O)c1 ZINC000187041889 552404861 /nfs/dbraw/zinc/40/48/61/552404861.db2.gz IJZYRCYQVLKYOU-UHFFFAOYSA-N -1 3 388.630 2.876 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)cc1Cl ZINC000187166701 552408313 /nfs/dbraw/zinc/40/83/13/552408313.db2.gz MOGQFYIWSHKVOM-UHFFFAOYSA-N -1 3 379.825 2.543 20 30 GFEDHM C#CCn1ccc(CN(CC)C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000279593517 563302301 /nfs/dbraw/zinc/30/23/01/563302301.db2.gz VLXCUAXFPKQBTF-UHFFFAOYSA-N -1 3 391.269 2.716 20 30 GFEDHM Cn1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2ccc(F)cc2)n1 ZINC000373824037 563352666 /nfs/dbraw/zinc/35/26/66/563352666.db2.gz DMKFNISSLPHKSW-INIZCTEOSA-N -1 3 376.438 2.560 20 30 GFEDHM N#CCCCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000375463043 563405856 /nfs/dbraw/zinc/40/58/56/563405856.db2.gz XNUQUHLTRXBDRH-CYBMUJFWSA-N -1 3 390.292 2.712 20 30 GFEDHM Cc1ncsc1NC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000329927026 563491851 /nfs/dbraw/zinc/49/18/51/563491851.db2.gz LEWOKBNTHIFFAZ-UHFFFAOYSA-N -1 3 384.483 2.936 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000380813941 563515775 /nfs/dbraw/zinc/51/57/75/563515775.db2.gz UQEZCBZEFIWYFP-INIZCTEOSA-N -1 3 375.881 2.764 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Br ZINC000430030345 563531872 /nfs/dbraw/zinc/53/18/72/563531872.db2.gz HTYKTXREFKYWLZ-WCQYABFASA-N -1 3 378.251 2.550 20 30 GFEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)C#N)c(Br)c1 ZINC000432351218 563582138 /nfs/dbraw/zinc/58/21/38/563582138.db2.gz KGQLIUHIZBGEHH-ZETCQYMHSA-N -1 3 382.077 2.710 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C2CC2)C1 ZINC000287927329 563622974 /nfs/dbraw/zinc/62/29/74/563622974.db2.gz UXQVAGRDZORYHO-SMDDNHRTSA-N -1 3 385.283 2.557 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000333243925 563625457 /nfs/dbraw/zinc/62/54/57/563625457.db2.gz IYFRCJCWFVRRNI-ZBFHGGJFSA-N -1 3 381.910 2.997 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNc2cccc(Br)c2)s1 ZINC000435436287 563650914 /nfs/dbraw/zinc/65/09/14/563650914.db2.gz FAIWPJAFBKUXEY-UHFFFAOYSA-N -1 3 386.296 2.773 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000435437677 563650921 /nfs/dbraw/zinc/65/09/21/563650921.db2.gz LSTFHJNLXSEPEJ-QWHCGFSZSA-N -1 3 378.251 2.550 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000443021401 563788081 /nfs/dbraw/zinc/78/80/81/563788081.db2.gz UGGVADBEJSXCKQ-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000292569134 563790852 /nfs/dbraw/zinc/79/08/52/563790852.db2.gz OMFJVEMJWJYONJ-ZDUSSCGKSA-N -1 3 377.329 2.556 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1Cl ZINC000443098033 563791989 /nfs/dbraw/zinc/79/19/89/563791989.db2.gz NJGQWUXKGLYUGR-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000416469292 563833620 /nfs/dbraw/zinc/83/36/20/563833620.db2.gz IWWOWOMDWLUADV-OAHLLOKOSA-N -1 3 398.326 2.616 20 30 GFEDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416523804 563842817 /nfs/dbraw/zinc/84/28/17/563842817.db2.gz KNZRDWHDRDHRMH-UHFFFAOYSA-N -1 3 375.288 2.804 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416665372 563858936 /nfs/dbraw/zinc/85/89/36/563858936.db2.gz UZSYVWWVTMKMCW-AWEZNQCLSA-N -1 3 376.459 2.762 20 30 GFEDHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416665470 563859244 /nfs/dbraw/zinc/85/92/44/563859244.db2.gz VIJLCRRTJUHGBA-OAHLLOKOSA-N -1 3 376.459 2.762 20 30 GFEDHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000564567534 564240005 /nfs/dbraw/zinc/24/00/05/564240005.db2.gz LFBWUBDBXLHNAJ-GFCCVEGCSA-N -1 3 378.372 2.709 20 30 GFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000508088305 564253955 /nfs/dbraw/zinc/25/39/55/564253955.db2.gz ZSXQSDVGSBWUIE-CYBMUJFWSA-N -1 3 377.329 2.904 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000508140675 564256191 /nfs/dbraw/zinc/25/61/91/564256191.db2.gz ADRHKUXKZYGJDC-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)c(F)c1 ZINC000542691403 564321387 /nfs/dbraw/zinc/32/13/87/564321387.db2.gz URPHKTXWFICFGK-OAHLLOKOSA-N -1 3 386.807 2.643 20 30 GFEDHM Cn1ncc(-c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)c1C#N ZINC000567311013 564365940 /nfs/dbraw/zinc/36/59/40/564365940.db2.gz MJDNFUFROUEIKK-UHFFFAOYSA-N -1 3 397.196 2.556 20 30 GFEDHM Cn1ncc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)c1C#N ZINC000567311013 564365944 /nfs/dbraw/zinc/36/59/44/564365944.db2.gz MJDNFUFROUEIKK-UHFFFAOYSA-N -1 3 397.196 2.556 20 30 GFEDHM Cn1ncc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1C#N ZINC000567311013 564365947 /nfs/dbraw/zinc/36/59/47/564365947.db2.gz MJDNFUFROUEIKK-UHFFFAOYSA-N -1 3 397.196 2.556 20 30 GFEDHM C=CC(C)(C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000452779415 564431694 /nfs/dbraw/zinc/43/16/94/564431694.db2.gz SPOPIDDSCKTULL-NSHDSACASA-N -1 3 378.416 2.701 20 30 GFEDHM C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000480854379 564491858 /nfs/dbraw/zinc/49/18/58/564491858.db2.gz RVNXIPCFMYLMAD-SFHVURJKSA-N -1 3 378.881 2.731 20 30 GFEDHM CCn1c(=O)[n-]nc1SCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000518654544 564558963 /nfs/dbraw/zinc/55/89/63/564558963.db2.gz GCYFLWDKKGWVOA-LLVKDONJSA-N -1 3 377.495 2.986 20 30 GFEDHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1ccc(C#N)s1 ZINC000487218859 564679047 /nfs/dbraw/zinc/67/90/47/564679047.db2.gz JYYWSNMTTSJFMJ-UHFFFAOYSA-N -1 3 377.447 2.778 20 30 GFEDHM Cc1nccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1Br ZINC000526119771 564720995 /nfs/dbraw/zinc/72/09/95/564720995.db2.gz SUZZXMYYUJUBPC-UHFFFAOYSA-N -1 3 386.658 2.900 20 30 GFEDHM O=C(CC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)[N-]CC(F)(F)F ZINC000577317586 564734724 /nfs/dbraw/zinc/73/47/24/564734724.db2.gz XPCRIMYXRZOZFL-UHFFFAOYSA-N -1 3 378.219 2.668 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)c(Cl)c1 ZINC000553909000 564744626 /nfs/dbraw/zinc/74/46/26/564744626.db2.gz ITWPFMMDNWUWBB-GFCCVEGCSA-N -1 3 385.272 2.919 20 30 GFEDHM COc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(Br)c1 ZINC000581421568 564801931 /nfs/dbraw/zinc/80/19/31/564801931.db2.gz SEFRNSJATKHCHS-UHFFFAOYSA-N -1 3 382.239 2.834 20 30 GFEDHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000555844049 564806198 /nfs/dbraw/zinc/80/61/98/564806198.db2.gz VHXAQOKKNLRREL-CZUORRHYSA-N -1 3 395.893 2.523 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO[C@@H]1C1CC1 ZINC000557833868 564879424 /nfs/dbraw/zinc/87/94/24/564879424.db2.gz LYIFTBVROGLVSB-HZPDHXFCSA-N -1 3 399.310 2.804 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1Cl ZINC000557859502 564882824 /nfs/dbraw/zinc/88/28/24/564882824.db2.gz UMLOMBDUWLZRJH-GFCCVEGCSA-N -1 3 385.272 2.919 20 30 GFEDHM COc1cc(CNC(=O)Cc2ccc(Br)cc2[O-])ccc1C#N ZINC000560832884 564977716 /nfs/dbraw/zinc/97/77/16/564977716.db2.gz LQPBITILAXVPBW-UHFFFAOYSA-N -1 3 375.222 2.894 20 30 GFEDHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000589550905 565166559 /nfs/dbraw/zinc/16/65/59/565166559.db2.gz UVJYTFZBRIDPGV-UHFFFAOYSA-N -1 3 378.841 2.546 20 30 GFEDHM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000590793636 565203933 /nfs/dbraw/zinc/20/39/33/565203933.db2.gz BCAHHGWSPKQPBJ-VIFPVBQESA-N -1 3 394.312 2.759 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000594484517 565394539 /nfs/dbraw/zinc/39/45/39/565394539.db2.gz ULHFKTDFCMMAKM-GJZGRUSLSA-N -1 3 398.326 2.616 20 30 GFEDHM COC(=O)c1csc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594493592 565396819 /nfs/dbraw/zinc/39/68/19/565396819.db2.gz RQOYOPHSIDOHQL-UHFFFAOYSA-N -1 3 376.459 2.764 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]Cc1nncn1C(C)C ZINC000594723586 565412223 /nfs/dbraw/zinc/41/22/23/565412223.db2.gz FZMXNAMCRDABOI-UHFFFAOYSA-N -1 3 375.479 2.732 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000594765048 565416415 /nfs/dbraw/zinc/41/64/15/565416415.db2.gz HIMVPKQKXNWZTJ-SNVBAGLBSA-N -1 3 378.397 2.673 20 30 GFEDHM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594770169 565417794 /nfs/dbraw/zinc/41/77/94/565417794.db2.gz YYKGHUXMTHJBRH-HUUCEWRRSA-N -1 3 380.491 2.554 20 30 GFEDHM C=CC[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCCC)cc2)C1 ZINC000625349502 565622532 /nfs/dbraw/zinc/62/25/32/565622532.db2.gz CVLDPBFIBBZUPU-HNNXBMFYSA-N -1 3 386.539 2.815 20 30 GFEDHM COc1ccc(C(=O)NO)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000671998619 565793488 /nfs/dbraw/zinc/79/34/88/565793488.db2.gz SKOFISNQOKSJKL-UHFFFAOYSA-N -1 3 391.232 2.922 20 30 GFEDHM C=CCn1c(=O)[n-]nc1S[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629161584 565827065 /nfs/dbraw/zinc/82/70/65/565827065.db2.gz LXXVXGUAUJJIJU-LBPRGKRZSA-N -1 3 395.282 2.978 20 30 GFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000604024406 565922324 /nfs/dbraw/zinc/92/23/24/565922324.db2.gz BUJIUCBELCPNFG-CYBMUJFWSA-N -1 3 384.866 2.856 20 30 GFEDHM N#Cc1ccc(NCC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610486385 566082860 /nfs/dbraw/zinc/08/28/60/566082860.db2.gz UTFYDOZYUWSPKE-UHFFFAOYSA-N -1 3 393.184 2.919 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CO)CCCCC2)c(C(F)(F)F)c1 ZINC000611025775 566111278 /nfs/dbraw/zinc/11/12/78/566111278.db2.gz UPYFHKWDMZOWKA-UHFFFAOYSA-N -1 3 376.400 2.798 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(CCC#N)CC(C)(C)C ZINC000737524604 598851638 /nfs/dbraw/zinc/85/16/38/598851638.db2.gz OEIMJXQYESQDLS-UHFFFAOYSA-N -1 3 379.472 2.653 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(CCC#N)CC(C)(C)C ZINC000737524604 598851640 /nfs/dbraw/zinc/85/16/40/598851640.db2.gz OEIMJXQYESQDLS-UHFFFAOYSA-N -1 3 379.472 2.653 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000736309424 598866387 /nfs/dbraw/zinc/86/63/87/598866387.db2.gz NUEJUEKFTXDVEB-QXPKXGMISA-N -1 3 388.431 2.877 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000736309424 598866388 /nfs/dbraw/zinc/86/63/88/598866388.db2.gz NUEJUEKFTXDVEB-QXPKXGMISA-N -1 3 388.431 2.877 20 30 GFEDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736193799 598915078 /nfs/dbraw/zinc/91/50/78/598915078.db2.gz UIXURXRRFLDZDZ-JTQLQIEISA-N -1 3 395.404 2.766 20 30 GFEDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736193799 598915080 /nfs/dbraw/zinc/91/50/80/598915080.db2.gz UIXURXRRFLDZDZ-JTQLQIEISA-N -1 3 395.404 2.766 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1-c1nnn[n-]1 ZINC000737710563 598919060 /nfs/dbraw/zinc/91/90/60/598919060.db2.gz ZGBGZYVKLYCJMK-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1-c1nn[n-]n1 ZINC000737710563 598919063 /nfs/dbraw/zinc/91/90/63/598919063.db2.gz ZGBGZYVKLYCJMK-KRWDZBQOSA-N -1 3 390.403 2.548 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736236199 598927997 /nfs/dbraw/zinc/92/79/97/598927997.db2.gz REFIZAFGTKWKEA-DIFFPNOSSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736236199 598927998 /nfs/dbraw/zinc/92/79/98/598927998.db2.gz REFIZAFGTKWKEA-DIFFPNOSSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736236205 598928056 /nfs/dbraw/zinc/92/80/56/598928056.db2.gz REFIZAFGTKWKEA-PIGZYNQJSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736236205 598928058 /nfs/dbraw/zinc/92/80/58/598928058.db2.gz REFIZAFGTKWKEA-PIGZYNQJSA-N -1 3 387.403 2.585 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000736509043 598971524 /nfs/dbraw/zinc/97/15/24/598971524.db2.gz QZPYCXUCCUFPGA-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000736509043 598971525 /nfs/dbraw/zinc/97/15/25/598971525.db2.gz QZPYCXUCCUFPGA-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736313192 599026613 /nfs/dbraw/zinc/02/66/13/599026613.db2.gz MPEWRTQUPXRAMA-FQEVSTJZSA-N -1 3 376.420 2.868 20 30 GFEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736313192 599026615 /nfs/dbraw/zinc/02/66/15/599026615.db2.gz MPEWRTQUPXRAMA-FQEVSTJZSA-N -1 3 376.420 2.868 20 30 GFEDHM N#Cc1ccc(F)c(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)c1 ZINC000822829962 599071363 /nfs/dbraw/zinc/07/13/63/599071363.db2.gz QZJFARWVAQXKQD-UHFFFAOYSA-N -1 3 381.321 2.738 20 30 GFEDHM N#Cc1ccc(F)c(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)c1 ZINC000822829962 599071365 /nfs/dbraw/zinc/07/13/65/599071365.db2.gz QZJFARWVAQXKQD-UHFFFAOYSA-N -1 3 381.321 2.738 20 30 GFEDHM CCN(CC#N)Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000736512572 599207176 /nfs/dbraw/zinc/20/71/76/599207176.db2.gz QUUPEYZPHMYSLY-UHFFFAOYSA-N -1 3 378.436 2.800 20 30 GFEDHM CCN(CC#N)Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000736512572 599207179 /nfs/dbraw/zinc/20/71/79/599207179.db2.gz QUUPEYZPHMYSLY-UHFFFAOYSA-N -1 3 378.436 2.800 20 30 GFEDHM CN(C(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000821569478 607299814 /nfs/dbraw/zinc/29/98/14/607299814.db2.gz LOYZUKUCJGBSSY-UHFFFAOYSA-N -1 3 389.419 2.510 20 30 GFEDHM CN(C(=O)CCCC(=O)Nc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000821569478 607299815 /nfs/dbraw/zinc/29/98/15/607299815.db2.gz LOYZUKUCJGBSSY-UHFFFAOYSA-N -1 3 389.419 2.510 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735379938 598431981 /nfs/dbraw/zinc/43/19/81/598431981.db2.gz ACXATNMFNPJSRH-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735379938 598431983 /nfs/dbraw/zinc/43/19/83/598431983.db2.gz ACXATNMFNPJSRH-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000737794386 598439782 /nfs/dbraw/zinc/43/97/82/598439782.db2.gz DQCRORCAFJUORQ-FNORWQNLSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000737794386 598439783 /nfs/dbraw/zinc/43/97/83/598439783.db2.gz DQCRORCAFJUORQ-FNORWQNLSA-N -1 3 379.395 2.739 20 30 GFEDHM N#CCCSc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737695945 598495444 /nfs/dbraw/zinc/49/54/44/598495444.db2.gz XRZSBCCZJAFEMZ-UHFFFAOYSA-N -1 3 380.433 2.890 20 30 GFEDHM N#CCCSc1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737695945 598495445 /nfs/dbraw/zinc/49/54/45/598495445.db2.gz XRZSBCCZJAFEMZ-UHFFFAOYSA-N -1 3 380.433 2.890 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000736169178 598626027 /nfs/dbraw/zinc/62/60/27/598626027.db2.gz KIEUGMFADDNXBE-YCRPNKLZSA-N -1 3 390.447 2.665 20 30 GFEDHM N#Cc1ccccc1CSCCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737727399 598628328 /nfs/dbraw/zinc/62/83/28/598628328.db2.gz KKIRCEHOOVEINI-UHFFFAOYSA-N -1 3 397.439 2.932 20 30 GFEDHM N#Cc1ccccc1CSCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737727399 598628330 /nfs/dbraw/zinc/62/83/30/598628330.db2.gz KKIRCEHOOVEINI-UHFFFAOYSA-N -1 3 397.439 2.932 20 30 GFEDHM N#Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737711310 598650533 /nfs/dbraw/zinc/65/05/33/598650533.db2.gz IOEJTYDVQBDHQL-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM N#Cc1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737711310 598650534 /nfs/dbraw/zinc/65/05/34/598650534.db2.gz IOEJTYDVQBDHQL-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736817252 598650599 /nfs/dbraw/zinc/65/05/99/598650599.db2.gz VGHZZCMNFWXCNM-UHFFFAOYSA-N -1 3 390.447 2.946 20 30 GFEDHM CN(Cc1ccc(C#N)cc1)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736817252 598650600 /nfs/dbraw/zinc/65/06/00/598650600.db2.gz VGHZZCMNFWXCNM-UHFFFAOYSA-N -1 3 390.447 2.946 20 30 GFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000736479962 598651542 /nfs/dbraw/zinc/65/15/42/598651542.db2.gz NWRYPTNAMBHHHB-UHFFFAOYSA-N -1 3 390.447 2.750 20 30 GFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000736479962 598651544 /nfs/dbraw/zinc/65/15/44/598651544.db2.gz NWRYPTNAMBHHHB-UHFFFAOYSA-N -1 3 390.447 2.750 20 30 GFEDHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821165584 607364495 /nfs/dbraw/zinc/36/44/95/607364495.db2.gz VDAJJMUCCAALNQ-ZDUSSCGKSA-N -1 3 393.451 2.970 20 30 GFEDHM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821165584 607364497 /nfs/dbraw/zinc/36/44/97/607364497.db2.gz VDAJJMUCCAALNQ-ZDUSSCGKSA-N -1 3 393.451 2.970 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735505595 598781310 /nfs/dbraw/zinc/78/13/10/598781310.db2.gz RQNGJOJEJHDKQB-GFCCVEGCSA-N -1 3 378.396 2.677 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735505595 598781311 /nfs/dbraw/zinc/78/13/11/598781311.db2.gz RQNGJOJEJHDKQB-GFCCVEGCSA-N -1 3 378.396 2.677 20 30 GFEDHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736163638 598801646 /nfs/dbraw/zinc/80/16/46/598801646.db2.gz QEGDNSZNUMSROV-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736163638 598801647 /nfs/dbraw/zinc/80/16/47/598801647.db2.gz QEGDNSZNUMSROV-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2nnn[n-]2)ccc1OC ZINC000736308395 598823016 /nfs/dbraw/zinc/82/30/16/598823016.db2.gz DBQXQVQPOYXRCC-LBPRGKRZSA-N -1 3 398.448 2.548 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2sccc2-c2nn[n-]n2)ccc1OC ZINC000736308395 598823017 /nfs/dbraw/zinc/82/30/17/598823017.db2.gz DBQXQVQPOYXRCC-LBPRGKRZSA-N -1 3 398.448 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737715530 599331304 /nfs/dbraw/zinc/33/13/04/599331304.db2.gz AEMZMKKXXGJPDY-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM N#Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737715530 599331306 /nfs/dbraw/zinc/33/13/06/599331306.db2.gz AEMZMKKXXGJPDY-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819745768 599335014 /nfs/dbraw/zinc/33/50/14/599335014.db2.gz RHGHAOILTWCFET-UHFFFAOYSA-N -1 3 395.897 2.959 20 30 GFEDHM Fc1ccc(CNC(=S)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000822772213 599335443 /nfs/dbraw/zinc/33/54/43/599335443.db2.gz UMBZCLITHIXVBX-UHFFFAOYSA-N -1 3 395.467 2.711 20 30 GFEDHM Fc1ccc(CNC(=S)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000822772213 599335444 /nfs/dbraw/zinc/33/54/44/599335444.db2.gz UMBZCLITHIXVBX-UHFFFAOYSA-N -1 3 395.467 2.711 20 30 GFEDHM N#Cc1nc(N)n(Cc2ccc(Oc3ccccc3F)c(F)c2)c1-c1nnn[n-]1 ZINC000737727834 599370454 /nfs/dbraw/zinc/37/04/54/599370454.db2.gz CGZTYUYQWQLOSP-UHFFFAOYSA-N -1 3 394.345 2.636 20 30 GFEDHM N#Cc1nc(N)n(Cc2ccc(Oc3ccccc3F)c(F)c2)c1-c1nn[n-]n1 ZINC000737727834 599370456 /nfs/dbraw/zinc/37/04/56/599370456.db2.gz CGZTYUYQWQLOSP-UHFFFAOYSA-N -1 3 394.345 2.636 20 30 GFEDHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(CCC(=O)[O-])C(C)C)c1C#N ZINC000738252388 600395064 /nfs/dbraw/zinc/39/50/64/600395064.db2.gz AXWZIAXUTLNPNH-UHFFFAOYSA-N -1 3 386.452 2.742 20 30 GFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000833071800 601026468 /nfs/dbraw/zinc/02/64/68/601026468.db2.gz LFUSXZPSXKMALD-LJQANCHMSA-N -1 3 377.400 2.699 20 30 GFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823919468 607625651 /nfs/dbraw/zinc/62/56/51/607625651.db2.gz HAMNMZBXWJPCSQ-UHFFFAOYSA-N -1 3 396.426 2.912 20 30 GFEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823919468 607625653 /nfs/dbraw/zinc/62/56/53/607625653.db2.gz HAMNMZBXWJPCSQ-UHFFFAOYSA-N -1 3 396.426 2.912 20 30 GFEDHM C[C@@](CNC(=O)[O-])(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000824952256 604340658 /nfs/dbraw/zinc/34/06/58/604340658.db2.gz LSZMCBMGLUVDOB-IBGZPJMESA-N -1 3 390.509 2.853 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)[nH]1 ZINC000826384355 607724391 /nfs/dbraw/zinc/72/43/91/607724391.db2.gz RULKYSBTZFDGAW-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)[nH]1 ZINC000826384355 607724393 /nfs/dbraw/zinc/72/43/93/607724393.db2.gz RULKYSBTZFDGAW-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822836997 606112574 /nfs/dbraw/zinc/11/25/74/606112574.db2.gz DOPCCEQNQSIYDZ-MDZDMXLPSA-N -1 3 399.458 2.537 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822836997 606112576 /nfs/dbraw/zinc/11/25/76/606112576.db2.gz DOPCCEQNQSIYDZ-MDZDMXLPSA-N -1 3 399.458 2.537 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncccc1OC(C)C ZINC000819745927 606184581 /nfs/dbraw/zinc/18/45/81/606184581.db2.gz VGMHKKIYSJPHHA-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncccc1OC(C)C ZINC000819745927 606184583 /nfs/dbraw/zinc/18/45/83/606184583.db2.gz VGMHKKIYSJPHHA-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000822649496 606227288 /nfs/dbraw/zinc/22/72/88/606227288.db2.gz DIVSRZUDYFUBOL-UHFFFAOYSA-N -1 3 386.375 2.516 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000822649496 606227290 /nfs/dbraw/zinc/22/72/90/606227290.db2.gz DIVSRZUDYFUBOL-UHFFFAOYSA-N -1 3 386.375 2.516 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000822649699 606230412 /nfs/dbraw/zinc/23/04/12/606230412.db2.gz JNCPWOCBURUYOA-UHFFFAOYSA-N -1 3 386.375 2.516 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000822649699 606230414 /nfs/dbraw/zinc/23/04/14/606230414.db2.gz JNCPWOCBURUYOA-UHFFFAOYSA-N -1 3 386.375 2.516 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822801550 606440435 /nfs/dbraw/zinc/44/04/35/606440435.db2.gz KNMJNINYIZRSEQ-RTBURBONSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822801550 606440436 /nfs/dbraw/zinc/44/04/36/606440436.db2.gz KNMJNINYIZRSEQ-RTBURBONSA-N -1 3 387.447 2.848 20 30 GFEDHM N#Cc1nc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1Cl ZINC000822846137 606481629 /nfs/dbraw/zinc/48/16/29/606481629.db2.gz POSXPUFXWZDPGW-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1nc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1Cl ZINC000822846137 606481630 /nfs/dbraw/zinc/48/16/30/606481630.db2.gz POSXPUFXWZDPGW-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Br)cc1 ZINC000822801150 606553898 /nfs/dbraw/zinc/55/38/98/606553898.db2.gz FGAOYCIPGXSMIQ-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Br)cc1 ZINC000822801150 606553900 /nfs/dbraw/zinc/55/39/00/606553900.db2.gz FGAOYCIPGXSMIQ-LLVKDONJSA-N -1 3 389.238 2.685 20 30 GFEDHM CCN(CCC#N)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000821207488 606584480 /nfs/dbraw/zinc/58/44/80/606584480.db2.gz NXDIEAKMDKAGLQ-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM CCN(CCC#N)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000821207488 606584482 /nfs/dbraw/zinc/58/44/82/606584482.db2.gz NXDIEAKMDKAGLQ-UHFFFAOYSA-N -1 3 376.420 2.821 20 30 GFEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819897809 606641157 /nfs/dbraw/zinc/64/11/57/606641157.db2.gz AGOYAUNOQFZPSR-OAHLLOKOSA-N -1 3 377.408 2.722 20 30 GFEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819897809 606641158 /nfs/dbraw/zinc/64/11/58/606641158.db2.gz AGOYAUNOQFZPSR-OAHLLOKOSA-N -1 3 377.408 2.722 20 30 GFEDHM C=C(C)COCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819722174 606799482 /nfs/dbraw/zinc/79/94/82/606799482.db2.gz APJSIPZOFKURCG-UHFFFAOYSA-N -1 3 398.492 2.987 20 30 GFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC ZINC000821772530 606868091 /nfs/dbraw/zinc/86/80/91/606868091.db2.gz DPMPDRMGKYOVDC-UHFFFAOYSA-N -1 3 392.419 2.672 20 30 GFEDHM COc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC ZINC000821772530 606868093 /nfs/dbraw/zinc/86/80/93/606868093.db2.gz DPMPDRMGKYOVDC-UHFFFAOYSA-N -1 3 392.419 2.672 20 30 GFEDHM C=CCC(CC=C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819734856 606942955 /nfs/dbraw/zinc/94/29/55/606942955.db2.gz VRLOPJLXFIUOMX-UHFFFAOYSA-N -1 3 394.479 2.812 20 30 GFEDHM C=CCC(CC=C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819734856 606942956 /nfs/dbraw/zinc/94/29/56/606942956.db2.gz VRLOPJLXFIUOMX-UHFFFAOYSA-N -1 3 394.479 2.812 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820314501 606991790 /nfs/dbraw/zinc/99/17/90/606991790.db2.gz JWMPMJPFZCSBIT-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820314501 606991791 /nfs/dbraw/zinc/99/17/91/606991791.db2.gz JWMPMJPFZCSBIT-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nnn[n-]4)cs3)C2=O)c1 ZINC000822846301 607098829 /nfs/dbraw/zinc/09/88/29/607098829.db2.gz VEKYAJYJPSVZHZ-LZIPFSRQSA-N -1 3 381.442 2.928 20 30 GFEDHM N#Cc1csc(C=C2COCC(=Cc3cc(-c4nn[n-]n4)cs3)C2=O)c1 ZINC000822846301 607098830 /nfs/dbraw/zinc/09/88/30/607098830.db2.gz VEKYAJYJPSVZHZ-LZIPFSRQSA-N -1 3 381.442 2.928 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(F)cc1C#N ZINC000820005502 607117578 /nfs/dbraw/zinc/11/75/78/607117578.db2.gz SHBFHGAWOUNQSF-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(F)cc1C#N ZINC000820005502 607117580 /nfs/dbraw/zinc/11/75/80/607117580.db2.gz SHBFHGAWOUNQSF-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(OC(C)C)c1 ZINC000819745398 607123472 /nfs/dbraw/zinc/12/34/72/607123472.db2.gz BCXYVCZWZOSMGI-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(OC(C)C)c1 ZINC000819745398 607123473 /nfs/dbraw/zinc/12/34/73/607123473.db2.gz BCXYVCZWZOSMGI-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM COc1ccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c([N+](=O)[O-])c1 ZINC000821835779 607123646 /nfs/dbraw/zinc/12/36/46/607123646.db2.gz RKAQVYABBDXUBT-UHFFFAOYSA-N -1 3 378.352 2.711 20 30 GFEDHM COc1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c([N+](=O)[O-])c1 ZINC000821835779 607123648 /nfs/dbraw/zinc/12/36/48/607123648.db2.gz RKAQVYABBDXUBT-UHFFFAOYSA-N -1 3 378.352 2.711 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cnn(Cc2ccccc2)c1 ZINC000822936645 607151502 /nfs/dbraw/zinc/15/15/02/607151502.db2.gz WLOJSJUSOODDFX-BQYQJAHWSA-N -1 3 396.414 2.655 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cnn(Cc2ccccc2)c1 ZINC000822936645 607151503 /nfs/dbraw/zinc/15/15/03/607151503.db2.gz WLOJSJUSOODDFX-BQYQJAHWSA-N -1 3 396.414 2.655 20 30 GFEDHM C=CCN(Cc1ccccc1F)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823919957 607920965 /nfs/dbraw/zinc/92/09/65/607920965.db2.gz UMZCTXMGPVKETJ-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM C=CCN(Cc1ccccc1F)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823919957 607920966 /nfs/dbraw/zinc/92/09/66/607920966.db2.gz UMZCTXMGPVKETJ-UHFFFAOYSA-N -1 3 381.411 2.981 20 30 GFEDHM C=CCCOCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823899191 607958969 /nfs/dbraw/zinc/95/89/69/607958969.db2.gz OZTCYOMZFXVWSJ-UHFFFAOYSA-N -1 3 395.423 2.768 20 30 GFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000824319057 608025377 /nfs/dbraw/zinc/02/53/77/608025377.db2.gz DODMHNKXWOWWBJ-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000824319057 608025378 /nfs/dbraw/zinc/02/53/78/608025378.db2.gz DODMHNKXWOWWBJ-UHFFFAOYSA-N -1 3 392.419 2.737 20 30 GFEDHM C#CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000823855936 608136186 /nfs/dbraw/zinc/13/61/86/608136186.db2.gz FGDAKIAFRGOIDT-UHFFFAOYSA-N -1 3 379.420 2.516 20 30 GFEDHM C#CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000823855936 608136187 /nfs/dbraw/zinc/13/61/87/608136187.db2.gz FGDAKIAFRGOIDT-UHFFFAOYSA-N -1 3 379.420 2.516 20 30 GFEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000824776539 608140220 /nfs/dbraw/zinc/14/02/20/608140220.db2.gz CEKOWISSDWGQKG-HXUWFJFHSA-N -1 3 392.419 2.805 20 30 GFEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000824776539 608140221 /nfs/dbraw/zinc/14/02/21/608140221.db2.gz CEKOWISSDWGQKG-HXUWFJFHSA-N -1 3 392.419 2.805 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826257078 608163606 /nfs/dbraw/zinc/16/36/06/608163606.db2.gz MRZLVLYMKBKCNB-UHFFFAOYSA-N -1 3 383.755 2.861 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826257078 608163607 /nfs/dbraw/zinc/16/36/07/608163607.db2.gz MRZLVLYMKBKCNB-UHFFFAOYSA-N -1 3 383.755 2.861 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(C)Cc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826332259 608309338 /nfs/dbraw/zinc/30/93/38/608309338.db2.gz OUQMATYDMFUXBL-UHFFFAOYSA-N -1 3 384.447 2.865 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000824756003 608384802 /nfs/dbraw/zinc/38/48/02/608384802.db2.gz NFXNRTKIRHCKEC-QWHCGFSZSA-N -1 3 383.433 2.621 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000824756003 608384804 /nfs/dbraw/zinc/38/48/04/608384804.db2.gz NFXNRTKIRHCKEC-QWHCGFSZSA-N -1 3 383.433 2.621 20 30 GFEDHM C#CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OCC ZINC000823856550 608538227 /nfs/dbraw/zinc/53/82/27/608538227.db2.gz SXJZYXPSGVUNFP-UHFFFAOYSA-N -1 3 397.826 2.772 20 30 GFEDHM C#CCOc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OCC ZINC000823856550 608538228 /nfs/dbraw/zinc/53/82/28/608538228.db2.gz SXJZYXPSGVUNFP-UHFFFAOYSA-N -1 3 397.826 2.772 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc3nccn32)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234139 608753326 /nfs/dbraw/zinc/75/33/26/608753326.db2.gz JNEDWUFYNJIYSA-KTKRTIGZSA-N -1 3 396.414 2.905 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C#N ZINC000826234355 609168456 /nfs/dbraw/zinc/16/84/56/609168456.db2.gz SAEXAYNFRMLERO-UHFFFAOYSA-N -1 3 386.419 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ZINC000824135844 609226084 /nfs/dbraw/zinc/22/60/84/609226084.db2.gz IZKFOKWCPCAFEI-ZWKOTPCHSA-N -1 3 390.447 2.579 20 30 GFEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135844 609226086 /nfs/dbraw/zinc/22/60/86/609226086.db2.gz IZKFOKWCPCAFEI-ZWKOTPCHSA-N -1 3 390.447 2.579 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824656848 609239795 /nfs/dbraw/zinc/23/97/95/609239795.db2.gz NJATUSLBCZJAHR-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM C[C@H](Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824656848 609239796 /nfs/dbraw/zinc/23/97/96/609239796.db2.gz NJATUSLBCZJAHR-AWEZNQCLSA-N -1 3 389.463 2.873 20 30 GFEDHM N#CC1(c2ccc(C(=O)OCCOc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826381117 609246399 /nfs/dbraw/zinc/24/63/99/609246399.db2.gz XUYSSURSLRINGR-UHFFFAOYSA-N -1 3 375.388 2.658 20 30 GFEDHM N#CC1(c2ccc(C(=O)OCCOc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826381117 609246401 /nfs/dbraw/zinc/24/64/01/609246401.db2.gz 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C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000056120887 654789374 /nfs/dbraw/zinc/78/93/74/654789374.db2.gz JQGKDNPGESRIRK-UHFFFAOYSA-N -1 3 383.256 2.892 20 30 GFEDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000125327323 654791172 /nfs/dbraw/zinc/79/11/72/654791172.db2.gz VNURURFTBXXCQB-GFCCVEGCSA-N -1 3 390.408 2.959 20 30 GFEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000194587651 655416408 /nfs/dbraw/zinc/41/64/08/655416408.db2.gz PWXFLRLGBNUXQJ-CQSZACIVSA-N -1 3 375.837 2.999 20 30 GFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccc(Br)cc2)cc1 ZINC000746492336 655762634 /nfs/dbraw/zinc/76/26/34/655762634.db2.gz UWQZKIJBQHSYIP-UHFFFAOYSA-N -1 3 398.238 2.811 20 30 GFEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCC#Cc2ccc(Cl)cc2)ccc1F ZINC000752585477 655844609 /nfs/dbraw/zinc/84/46/09/655844609.db2.gz NTSVHBPPOWWTLV-UHFFFAOYSA-N -1 3 381.812 2.596 20 30 GFEDHM C[C@@H]1CC(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)=NO1 ZINC000760852597 655993466 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Cc1csc(SCc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)n1 ZINC000816756011 660168206 /nfs/dbraw/zinc/16/82/06/660168206.db2.gz NZFGDMYUAMSALO-CQSZACIVSA-N -1 3 377.491 2.854 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1C(F)(F)F ZINC000816757979 660168222 /nfs/dbraw/zinc/16/82/22/660168222.db2.gz FYNAJBHMRHRVLW-JTQLQIEISA-N -1 3 381.148 2.578 20 30 GFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841542792 661294970 /nfs/dbraw/zinc/29/49/70/661294970.db2.gz PQGIGEADAGKLSD-UHFFFAOYSA-N -1 3 376.232 2.575 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCC1 ZINC000845965263 661510206 /nfs/dbraw/zinc/51/02/06/661510206.db2.gz DRRPPCRZTKKTFX-UHFFFAOYSA-N -1 3 378.679 2.860 20 30 GFEDHM O=C(CCCSc1ccc(Br)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000848139124 661627839 /nfs/dbraw/zinc/62/78/39/661627839.db2.gz ROKIYJKIJAEZIZ-CYBMUJFWSA-N -1 3 387.299 2.818 20 30 GFEDHM C#C[C@](C)(CC)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000854698947 661948219 /nfs/dbraw/zinc/94/82/19/661948219.db2.gz 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CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157644450 551540362 /nfs/dbraw/zinc/54/03/62/551540362.db2.gz MCJDZYIIEUCSHR-CHWSQXEVSA-N -1 3 383.901 2.573 20 30 GFEDHM CCN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000161536230 551595401 /nfs/dbraw/zinc/59/54/01/551595401.db2.gz QPWIPWFUBQFKOA-UHFFFAOYSA-N -1 3 392.308 2.913 20 30 GFEDHM C=CCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000180847092 552237852 /nfs/dbraw/zinc/23/78/52/552237852.db2.gz OWULNTADTJMMFY-ZDUSSCGKSA-N -1 3 392.518 2.999 20 30 GFEDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183102929 552300597 /nfs/dbraw/zinc/30/05/97/552300597.db2.gz OUYDEUGIQXFROQ-UHFFFAOYSA-N -1 3 379.869 2.953 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)c(Cl)c1 ZINC000183469415 552310633 /nfs/dbraw/zinc/31/06/33/552310633.db2.gz BPAIIYWDRWIYHR-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2Cl)c(Cl)c1 ZINC000183493932 552311274 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Cc1ncc(CO)c(/C=N/C[C@@H](O)COc2cccc(Cl)c2Cl)c1[O-] ZINC000299214535 563377923 /nfs/dbraw/zinc/37/79/23/563377923.db2.gz LRFVPDOGWCDAMI-WCRSTISQSA-N -1 3 385.247 2.754 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)cc3c2OCC3)s1 ZINC000318574127 563443735 /nfs/dbraw/zinc/44/37/35/563443735.db2.gz FVCZQLCDZJLTTB-UHFFFAOYSA-N -1 3 399.291 2.796 20 30 GFEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2(C#N)CCC(C(C)(C)C)CC2)s1 ZINC000330485901 563508113 /nfs/dbraw/zinc/50/81/13/563508113.db2.gz BKXRXRVALIXIAN-UHFFFAOYSA-N -1 3 384.527 2.878 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000380813942 563515131 /nfs/dbraw/zinc/51/51/31/563515131.db2.gz UQEZCBZEFIWYFP-MRXNPFEDSA-N -1 3 375.881 2.764 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000287927321 563623184 /nfs/dbraw/zinc/62/31/84/563623184.db2.gz UXQVAGRDZORYHO-RISCZKNCSA-N -1 3 385.283 2.557 20 30 GFEDHM COC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000435415629 563648836 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CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000416607061 563852718 /nfs/dbraw/zinc/85/27/18/563852718.db2.gz YIMWTTXYOPDVOS-MEBBXXQBSA-N -1 3 387.299 2.803 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2)c(F)c1 ZINC000538459810 564191934 /nfs/dbraw/zinc/19/19/34/564191934.db2.gz MTBXLIVSYSTNFH-AWEZNQCLSA-N -1 3 379.844 2.908 20 30 GFEDHM N#C[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000471376090 564193839 /nfs/dbraw/zinc/19/38/39/564193839.db2.gz LZZWRKUPAMCOIA-HNNXBMFYSA-N -1 3 378.215 2.810 20 30 GFEDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C(C)(C)O1 ZINC000563987249 564215526 /nfs/dbraw/zinc/21/55/26/564215526.db2.gz XDNTXSOIZNRWBV-CYBMUJFWSA-N -1 3 387.299 2.945 20 30 GFEDHM C=CCC1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000450204190 564222053 /nfs/dbraw/zinc/22/20/53/564222053.db2.gz ZBKZJJSFFFBMOT-UHFFFAOYSA-N -1 3 376.931 2.933 20 30 GFEDHM CCn1cc(Br)c(=O)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000541807373 564289946 /nfs/dbraw/zinc/28/99/46/564289946.db2.gz IDEOZVSWQZFEHS-UHFFFAOYSA-N -1 3 396.266 2.612 20 30 GFEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000542691404 564320889 /nfs/dbraw/zinc/32/08/89/564320889.db2.gz UZJRFNMOYIXDAS-HNNXBMFYSA-N -1 3 386.807 2.643 20 30 GFEDHM COc1cccc(OCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000475805893 564321220 /nfs/dbraw/zinc/32/12/20/564321220.db2.gz DQJMIRIAGYVPDA-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)c1 ZINC000476411899 564338112 /nfs/dbraw/zinc/33/81/12/564338112.db2.gz QOSGCIUCSURMKP-UHFFFAOYSA-N -1 3 376.821 2.908 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1 ZINC000452089277 564390424 /nfs/dbraw/zinc/39/04/24/564390424.db2.gz PPALVTDMGCUXIJ-MRXNPFEDSA-N -1 3 380.466 2.941 20 30 GFEDHM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000570033128 564488458 /nfs/dbraw/zinc/48/84/58/564488458.db2.gz KXXNKKXDBDNOKL-UHFFFAOYSA-N -1 3 384.230 2.642 20 30 GFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000518632742 564558492 /nfs/dbraw/zinc/55/84/92/564558492.db2.gz RYABWVHPOAZKFD-HNNXBMFYSA-N -1 3 380.267 2.968 20 30 GFEDHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000572250116 564586741 /nfs/dbraw/zinc/58/67/41/564586741.db2.gz HCXBJYOACGLBIT-HNNXBMFYSA-N -1 3 386.901 2.673 20 30 GFEDHM N#CC1(CNC(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)CC1 ZINC000521175129 564621248 /nfs/dbraw/zinc/62/12/48/564621248.db2.gz UGADGOWGELETHA-UHFFFAOYSA-N -1 3 381.523 2.783 20 30 GFEDHM C=C[C@](C)(CC)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552945872 564704972 /nfs/dbraw/zinc/70/49/72/564704972.db2.gz FCPUNDGXYHPJLP-OAHLLOKOSA-N -1 3 379.309 2.990 20 30 GFEDHM N#CCc1ccc(OC[C@H](O)CNCc2ccc([O-])c(Br)c2)cc1 ZINC000579465172 564748355 /nfs/dbraw/zinc/74/83/55/564748355.db2.gz NJCJIZYEJGCQJD-OAHLLOKOSA-N -1 3 391.265 2.750 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000528550219 564794051 /nfs/dbraw/zinc/79/40/51/564794051.db2.gz MDCGBGFHZOEBQE-ZDUSSCGKSA-N -1 3 398.326 2.616 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000557822558 564878564 /nfs/dbraw/zinc/87/85/64/564878564.db2.gz DUYMOGCNHFQEHO-UHFFFAOYSA-N -1 3 395.278 2.937 20 30 GFEDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000558780675 564913952 /nfs/dbraw/zinc/91/39/52/564913952.db2.gz FLLKABCGIYXDPK-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCSCC2)C1 ZINC000532767320 564945130 /nfs/dbraw/zinc/94/51/30/564945130.db2.gz PUUZGIAUQAKHIW-GFCCVEGCSA-N -1 3 386.926 2.935 20 30 GFEDHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)c3ccc(C#N)cc3)cnc2c1Cl ZINC000500644547 564959059 /nfs/dbraw/zinc/95/90/59/564959059.db2.gz GBWHICUOCVPLST-SNVBAGLBSA-N -1 3 375.841 2.602 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000537350472 565057204 /nfs/dbraw/zinc/05/72/04/565057204.db2.gz OWSMRNPGULNOHO-HNNXBMFYSA-N -1 3 379.844 2.908 20 30 GFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000617039620 565219707 /nfs/dbraw/zinc/21/97/07/565219707.db2.gz JOPVQZQMFNLZNO-RYUDHWBXSA-N -1 3 376.931 2.931 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)NCc1cccs1 ZINC000592079635 565254310 /nfs/dbraw/zinc/25/43/10/565254310.db2.gz BYBDEKHFXWZNKS-OAHLLOKOSA-N -1 3 383.539 2.536 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1nc(C)cs1 ZINC000593545218 565339418 /nfs/dbraw/zinc/33/94/18/565339418.db2.gz VHENMYFYYAROHW-CYBMUJFWSA-N -1 3 379.463 2.539 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000593601466 565346619 /nfs/dbraw/zinc/34/66/19/565346619.db2.gz UAESMNAMKKFBSI-UHFFFAOYSA-N -1 3 380.466 2.829 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)NCc2ccc(C#N)c(Cl)c2)ccc1F ZINC000619774945 565358513 /nfs/dbraw/zinc/35/85/13/565358513.db2.gz FHUMPWFCRZVRLR-UHFFFAOYSA-N -1 3 381.816 2.652 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594727683 565411859 /nfs/dbraw/zinc/41/18/59/565411859.db2.gz RKAQHOADSOOXOJ-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H](OC1CCCC1)C(F)(F)F ZINC000594820062 565426154 /nfs/dbraw/zinc/42/61/54/565426154.db2.gz ZILLRTQUDVVOKZ-AWEZNQCLSA-N -1 3 380.363 2.866 20 30 GFEDHM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000644276907 565468933 /nfs/dbraw/zinc/46/89/33/565468933.db2.gz XHVMDVXPKUJFGG-WRWORJQWSA-N -1 3 395.296 2.969 20 30 GFEDHM N#Cc1cc(Cl)c(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000611188888 566119974 /nfs/dbraw/zinc/11/99/74/566119974.db2.gz ZGAIBNGRTFWIKK-UHFFFAOYSA-N -1 3 378.215 2.730 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000611692249 566141010 /nfs/dbraw/zinc/14/10/10/566141010.db2.gz RSPGTJGQXFLSCN-UHFFFAOYSA-N -1 3 383.520 2.568 20 30 GFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000657036349 566211044 /nfs/dbraw/zinc/21/10/44/566211044.db2.gz FBEJILAYDWPXJN-WFASDCNBSA-N -1 3 375.487 2.642 20 30 GFEDHM C#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nc1 ZINC000735389769 598833849 /nfs/dbraw/zinc/83/38/49/598833849.db2.gz IWTXOPAVURAYCD-UHFFFAOYSA-N -1 3 386.440 2.902 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737525573 598858925 /nfs/dbraw/zinc/85/89/25/598858925.db2.gz SZBQESMTVMUEGR-GFCCVEGCSA-N -1 3 399.418 2.505 20 30 GFEDHM Cc1nnc(-c2cccc(C#N)c2)n1[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737525573 598858926 /nfs/dbraw/zinc/85/89/26/598858926.db2.gz SZBQESMTVMUEGR-GFCCVEGCSA-N -1 3 399.418 2.505 20 30 GFEDHM COc1ccccc1N1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821898033 607254654 /nfs/dbraw/zinc/25/46/54/607254654.db2.gz LZUMWCBAUCQZKT-UHFFFAOYSA-N -1 3 377.452 2.621 20 30 GFEDHM COc1ccccc1N1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821898033 607254655 /nfs/dbraw/zinc/25/46/55/607254655.db2.gz LZUMWCBAUCQZKT-UHFFFAOYSA-N -1 3 377.452 2.621 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736509322 598970528 /nfs/dbraw/zinc/97/05/28/598970528.db2.gz USMNNDXDSUINAQ-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736509322 598970530 /nfs/dbraw/zinc/97/05/30/598970530.db2.gz USMNNDXDSUINAQ-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM N#Cc1cnc2ccccc2c1OCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC000737728800 599027338 /nfs/dbraw/zinc/02/73/38/599027338.db2.gz WAMHYWZQHPCIQE-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM Cc1cc(C)c2ncc(C#N)c(NCCOc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822196470 599048709 /nfs/dbraw/zinc/04/87/09/599048709.db2.gz KSLUWIKKJBQSIK-UHFFFAOYSA-N -1 3 385.431 2.816 20 30 GFEDHM C=CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735410289 599084453 /nfs/dbraw/zinc/08/44/53/599084453.db2.gz YYHJNFBNWLEVHD-HNNXBMFYSA-N -1 3 390.856 2.511 20 30 GFEDHM C=CC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC000735410289 599084457 /nfs/dbraw/zinc/08/44/57/599084457.db2.gz YYHJNFBNWLEVHD-HNNXBMFYSA-N -1 3 390.856 2.511 20 30 GFEDHM COC(=O)[C@H](Sc1nc(C)cc(C)c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736902413 599111727 /nfs/dbraw/zinc/11/17/27/599111727.db2.gz TXCDHBNMHZLLIY-OAHLLOKOSA-N -1 3 380.433 2.757 20 30 GFEDHM COC(=O)[C@H](Sc1nc(C)cc(C)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736902413 599111729 /nfs/dbraw/zinc/11/17/29/599111729.db2.gz TXCDHBNMHZLLIY-OAHLLOKOSA-N -1 3 380.433 2.757 20 30 GFEDHM CCN(C(C)=O)c1nc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cs1 ZINC000821160561 599115621 /nfs/dbraw/zinc/11/56/21/599115621.db2.gz MTHJIIGRUSGZNL-UKTHLTGXSA-N -1 3 394.460 2.909 20 30 GFEDHM CCN(C(C)=O)c1nc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cs1 ZINC000821160561 599115623 /nfs/dbraw/zinc/11/56/23/599115623.db2.gz MTHJIIGRUSGZNL-UKTHLTGXSA-N -1 3 394.460 2.909 20 30 GFEDHM CCOc1cc(C#N)ccc1OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736628202 599159523 /nfs/dbraw/zinc/15/95/23/599159523.db2.gz TYWFWZZPWLPJMA-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM CCOc1cc(C#N)ccc1OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736628202 599159526 /nfs/dbraw/zinc/15/95/26/599159526.db2.gz TYWFWZZPWLPJMA-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1Cc1ccccc1 ZINC000736670372 599199482 /nfs/dbraw/zinc/19/94/82/599199482.db2.gz NZERBLBWQOHKJS-UHFFFAOYSA-N -1 3 398.430 2.798 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1Cc1ccccc1 ZINC000736670372 599199484 /nfs/dbraw/zinc/19/94/84/599199484.db2.gz NZERBLBWQOHKJS-UHFFFAOYSA-N -1 3 398.430 2.798 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000602093608 598191048 /nfs/dbraw/zinc/19/10/48/598191048.db2.gz MAXXDGKTMXSDKM-UHFFFAOYSA-N -1 3 380.448 2.530 20 30 GFEDHM Cc1cccc2c1NC(=O)C2=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737407745 598314284 /nfs/dbraw/zinc/31/42/84/598314284.db2.gz FCEMUJGGNFYJGC-UHFFFAOYSA-N -1 3 387.325 2.962 20 30 GFEDHM Cc1cccc2c1NC(=O)C2=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737407745 598314285 /nfs/dbraw/zinc/31/42/85/598314285.db2.gz FCEMUJGGNFYJGC-UHFFFAOYSA-N -1 3 387.325 2.962 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000736183358 598382308 /nfs/dbraw/zinc/38/23/08/598382308.db2.gz KPUMLDNBSXXZDQ-XHDPSFHLSA-N -1 3 382.811 2.668 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000736183358 598382310 /nfs/dbraw/zinc/38/23/10/598382310.db2.gz KPUMLDNBSXXZDQ-XHDPSFHLSA-N -1 3 382.811 2.668 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381237 598434159 /nfs/dbraw/zinc/43/41/59/598434159.db2.gz ROMGJGVYICLYKE-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000736167709 598490074 /nfs/dbraw/zinc/49/00/74/598490074.db2.gz HCKYTCFYHMZHHQ-LBPRGKRZSA-N -1 3 379.424 2.701 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736511268 598548041 /nfs/dbraw/zinc/54/80/41/598548041.db2.gz CBEONQAJTUQDJH-CYBMUJFWSA-N -1 3 380.408 2.660 20 30 GFEDHM N#Cc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c1 ZINC000737721654 598559937 /nfs/dbraw/zinc/55/99/37/598559937.db2.gz BKZNKBOGIVURNG-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM N#Cc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737721654 598559939 /nfs/dbraw/zinc/55/99/39/598559939.db2.gz BKZNKBOGIVURNG-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM C[C@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735507260 598566386 /nfs/dbraw/zinc/56/63/86/598566386.db2.gz ZNZBYKAASXCGCS-YXHQGMJNSA-N -1 3 386.371 2.502 20 30 GFEDHM C[C@H](C#N)Oc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735507260 598566388 /nfs/dbraw/zinc/56/63/88/598566388.db2.gz ZNZBYKAASXCGCS-YXHQGMJNSA-N -1 3 386.371 2.502 20 30 GFEDHM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000737793954 598568656 /nfs/dbraw/zinc/56/86/56/598568656.db2.gz AIGZGJWWYIXOMY-XQRVVYSFSA-N -1 3 386.371 2.882 20 30 GFEDHM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000737793954 598568658 /nfs/dbraw/zinc/56/86/58/598568658.db2.gz AIGZGJWWYIXOMY-XQRVVYSFSA-N -1 3 386.371 2.882 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(C#N)c(C)c1C ZINC000737481760 598588183 /nfs/dbraw/zinc/58/81/83/598588183.db2.gz APDJHWDMKUIJNA-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(C#N)c(C)c1C ZINC000737481760 598588186 /nfs/dbraw/zinc/58/81/86/598588186.db2.gz APDJHWDMKUIJNA-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM N#Cc1ccc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1Cl ZINC000737719488 598650479 /nfs/dbraw/zinc/65/04/79/598650479.db2.gz VCNRTHJWDDNFKF-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1ccc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1Cl ZINC000737719488 598650482 /nfs/dbraw/zinc/65/04/82/598650482.db2.gz VCNRTHJWDDNFKF-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(NC(=O)OC)c1 ZINC000735421403 598656174 /nfs/dbraw/zinc/65/61/74/598656174.db2.gz YOVKEWZXSNFITO-UHFFFAOYSA-N -1 3 392.419 2.873 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(NC(=O)OC)c1 ZINC000735421403 598656176 /nfs/dbraw/zinc/65/61/76/598656176.db2.gz YOVKEWZXSNFITO-UHFFFAOYSA-N -1 3 392.419 2.873 20 30 GFEDHM N#C[C@]1(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCSC1 ZINC000737677863 598669292 /nfs/dbraw/zinc/66/92/92/598669292.db2.gz DMUUMGHEBGBRLW-LJQANCHMSA-N -1 3 392.444 2.788 20 30 GFEDHM N#C[C@]1(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCSC1 ZINC000737677863 598669294 /nfs/dbraw/zinc/66/92/94/598669294.db2.gz DMUUMGHEBGBRLW-LJQANCHMSA-N -1 3 392.444 2.788 20 30 GFEDHM C=CCN(Cc1nccn1CC(F)(F)F)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426150 598683526 /nfs/dbraw/zinc/68/35/26/598683526.db2.gz LGJZOEDHFIEYQS-UHFFFAOYSA-N -1 3 377.374 2.814 20 30 GFEDHM C=CCN(Cc1nccn1CC(F)(F)F)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426150 598683528 /nfs/dbraw/zinc/68/35/28/598683528.db2.gz LGJZOEDHFIEYQS-UHFFFAOYSA-N -1 3 377.374 2.814 20 30 GFEDHM Cc1ccc(F)cc1NC(=O)C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737347795 598698684 /nfs/dbraw/zinc/69/86/84/598698684.db2.gz RDXNZBGCEGSHEZ-UHFFFAOYSA-N -1 3 398.398 2.724 20 30 GFEDHM Cc1oc(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2nnn[n-]2)c1C ZINC000822548022 607365271 /nfs/dbraw/zinc/36/52/71/607365271.db2.gz DOKYAMRWSCYLCP-UHFFFAOYSA-N -1 3 391.435 2.551 20 30 GFEDHM Cc1oc(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2nn[n-]n2)c1C ZINC000822548022 607365273 /nfs/dbraw/zinc/36/52/73/607365273.db2.gz DOKYAMRWSCYLCP-UHFFFAOYSA-N -1 3 391.435 2.551 20 30 GFEDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736161679 598758753 /nfs/dbraw/zinc/75/87/53/598758753.db2.gz XQFPNRNYWZCYGN-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736161679 598758754 /nfs/dbraw/zinc/75/87/54/598758754.db2.gz XQFPNRNYWZCYGN-JTQLQIEISA-N -1 3 396.794 2.576 20 30 GFEDHM N#Cc1ccc(-c2ccn(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)n2)cc1 ZINC000822823809 599385043 /nfs/dbraw/zinc/38/50/43/599385043.db2.gz ZKCIDBGIUPBWCA-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM N#Cc1ccc(-c2ccn(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)n2)cc1 ZINC000822823809 599385045 /nfs/dbraw/zinc/38/50/45/599385045.db2.gz ZKCIDBGIUPBWCA-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321457 599506098 /nfs/dbraw/zinc/50/60/98/599506098.db2.gz GOCAURQPNFKMBQ-LIRRHRJNSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321457 599506101 /nfs/dbraw/zinc/50/61/01/599506101.db2.gz GOCAURQPNFKMBQ-LIRRHRJNSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321456 599506281 /nfs/dbraw/zinc/50/62/81/599506281.db2.gz GOCAURQPNFKMBQ-KUHUBIRLSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321456 599506282 /nfs/dbraw/zinc/50/62/82/599506282.db2.gz GOCAURQPNFKMBQ-KUHUBIRLSA-N -1 3 387.447 2.585 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C#N ZINC000826252323 607386387 /nfs/dbraw/zinc/38/63/87/607386387.db2.gz YYSDGQFGRXOBPF-UHFFFAOYSA-N -1 3 399.414 2.898 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C#N ZINC000826252323 607386389 /nfs/dbraw/zinc/38/63/89/607386389.db2.gz YYSDGQFGRXOBPF-UHFFFAOYSA-N -1 3 399.414 2.898 20 30 GFEDHM CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737409605 600212500 /nfs/dbraw/zinc/21/25/00/600212500.db2.gz VDOZHMYJPMINQY-OXJNMPFZSA-N -1 3 386.411 2.981 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820169233 607429527 /nfs/dbraw/zinc/42/95/27/607429527.db2.gz IURQHQZJOOCZSU-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820169233 607429529 /nfs/dbraw/zinc/42/95/29/607429529.db2.gz IURQHQZJOOCZSU-UHFFFAOYSA-N -1 3 377.408 2.847 20 30 GFEDHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1C#N ZINC000826204652 607560819 /nfs/dbraw/zinc/56/08/19/607560819.db2.gz UEXXYGHZRGLRPQ-UHFFFAOYSA-N -1 3 375.314 2.773 20 30 GFEDHM COc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1C#N ZINC000826204652 607560822 /nfs/dbraw/zinc/56/08/22/607560822.db2.gz UEXXYGHZRGLRPQ-UHFFFAOYSA-N -1 3 375.314 2.773 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000825391031 607590186 /nfs/dbraw/zinc/59/01/86/607590186.db2.gz SNKQRTSJCUMOIA-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000825391031 607590187 /nfs/dbraw/zinc/59/01/87/607590187.db2.gz SNKQRTSJCUMOIA-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM COc1ccc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826205624 607605769 /nfs/dbraw/zinc/60/57/69/607605769.db2.gz DESPCIYUOVTOOK-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM COc1ccc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826205624 607605772 /nfs/dbraw/zinc/60/57/72/607605772.db2.gz DESPCIYUOVTOOK-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826385377 607672317 /nfs/dbraw/zinc/67/23/17/607672317.db2.gz JLPHIPIYLJXVLJ-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000825266261 604244246 /nfs/dbraw/zinc/24/42/46/604244246.db2.gz VATTTZDJIGTXGU-SQWLQELKSA-N -1 3 393.447 2.592 20 30 GFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000833939791 605583814 /nfs/dbraw/zinc/58/38/14/605583814.db2.gz ARYFUBIQJISVDR-HUUCEWRRSA-N -1 3 392.419 2.575 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821441353 606304992 /nfs/dbraw/zinc/30/49/92/606304992.db2.gz KTXFITRSKXBOQF-BQYQJAHWSA-N -1 3 389.462 2.586 20 30 GFEDHM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821441353 606304994 /nfs/dbraw/zinc/30/49/94/606304994.db2.gz KTXFITRSKXBOQF-BQYQJAHWSA-N -1 3 389.462 2.586 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819759374 606369641 /nfs/dbraw/zinc/36/96/41/606369641.db2.gz VMPGFZYHRWKINC-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819759374 606369643 /nfs/dbraw/zinc/36/96/43/606369643.db2.gz VMPGFZYHRWKINC-QGZVFWFLSA-N -1 3 394.387 2.503 20 30 GFEDHM COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000821693874 606372825 /nfs/dbraw/zinc/37/28/25/606372825.db2.gz RBNMMGCCUDWSRY-UHFFFAOYSA-N -1 3 398.810 2.669 20 30 GFEDHM COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000821693874 606372826 /nfs/dbraw/zinc/37/28/26/606372826.db2.gz RBNMMGCCUDWSRY-UHFFFAOYSA-N -1 3 398.810 2.669 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000820535078 606412008 /nfs/dbraw/zinc/41/20/08/606412008.db2.gz NLOPGMJOWRJYNN-NSHDSACASA-N -1 3 382.811 2.822 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000820535078 606412010 /nfs/dbraw/zinc/41/20/10/606412010.db2.gz NLOPGMJOWRJYNN-NSHDSACASA-N -1 3 382.811 2.822 20 30 GFEDHM COc1ccccc1N=C1SCCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821897242 606478683 /nfs/dbraw/zinc/47/86/83/606478683.db2.gz HAZQJNGRVQZLRY-UHFFFAOYSA-N -1 3 386.462 2.814 20 30 GFEDHM COc1ccccc1N=C1SCCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821897242 606478685 /nfs/dbraw/zinc/47/86/85/606478685.db2.gz HAZQJNGRVQZLRY-UHFFFAOYSA-N -1 3 386.462 2.814 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822825708 606561127 /nfs/dbraw/zinc/56/11/27/606561127.db2.gz MGSGXIMHACPZFA-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822825708 606561128 /nfs/dbraw/zinc/56/11/28/606561128.db2.gz MGSGXIMHACPZFA-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)s1 ZINC000822825437 606561510 /nfs/dbraw/zinc/56/15/10/606561510.db2.gz FVCXGIUMOXFIRH-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000822825437 606561511 /nfs/dbraw/zinc/56/15/11/606561511.db2.gz FVCXGIUMOXFIRH-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820220235 606655509 /nfs/dbraw/zinc/65/55/09/606655509.db2.gz PDYHSYSEKGWCSS-LLVKDONJSA-N -1 3 382.453 2.680 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820220235 606655510 /nfs/dbraw/zinc/65/55/10/606655510.db2.gz PDYHSYSEKGWCSS-LLVKDONJSA-N -1 3 382.453 2.680 20 30 GFEDHM CCN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149325 606775471 /nfs/dbraw/zinc/77/54/71/606775471.db2.gz VLAONQYQFWZDQH-AWEZNQCLSA-N -1 3 389.415 2.557 20 30 GFEDHM CCN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149325 606775473 /nfs/dbraw/zinc/77/54/73/606775473.db2.gz VLAONQYQFWZDQH-AWEZNQCLSA-N -1 3 389.415 2.557 20 30 GFEDHM CCc1nnc(NCCSCc2ccccc2-c2nnn[n-]2)c(C#N)c1CC ZINC000821542647 606917679 /nfs/dbraw/zinc/91/76/79/606917679.db2.gz VYMBEOWEVOQNQF-UHFFFAOYSA-N -1 3 394.508 2.998 20 30 GFEDHM CCc1nnc(NCCSCc2ccccc2-c2nn[n-]n2)c(C#N)c1CC ZINC000821542647 606917681 /nfs/dbraw/zinc/91/76/81/606917681.db2.gz VYMBEOWEVOQNQF-UHFFFAOYSA-N -1 3 394.508 2.998 20 30 GFEDHM C=CCn1c(Sc2ncc(-c3nnn[n-]3)cc2Cl)nnc1-c1ccccn1 ZINC000819766338 607036196 /nfs/dbraw/zinc/03/61/96/607036196.db2.gz XAWDVXYRCCYYOF-UHFFFAOYSA-N -1 3 397.855 2.906 20 30 GFEDHM C=CCn1c(Sc2ncc(-c3nn[n-]n3)cc2Cl)nnc1-c1ccccn1 ZINC000819766338 607036197 /nfs/dbraw/zinc/03/61/97/607036197.db2.gz XAWDVXYRCCYYOF-UHFFFAOYSA-N -1 3 397.855 2.906 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821309328 607099893 /nfs/dbraw/zinc/09/98/93/607099893.db2.gz MRJQTQYEGYWSIN-LBPRGKRZSA-N -1 3 377.408 2.576 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COc1ccc(OC)c(C)c1 ZINC000819743947 607150085 /nfs/dbraw/zinc/15/00/85/607150085.db2.gz UBBZFBXUMDLHCG-UHFFFAOYSA-N -1 3 393.447 2.777 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COc1ccc(OC)c(C)c1 ZINC000819743947 607150086 /nfs/dbraw/zinc/15/00/86/607150086.db2.gz UBBZFBXUMDLHCG-UHFFFAOYSA-N -1 3 393.447 2.777 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000821406134 607194153 /nfs/dbraw/zinc/19/41/53/607194153.db2.gz AEDWLTSCIWBIFG-UHFFFAOYSA-N -1 3 381.396 2.806 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000821406134 607194154 /nfs/dbraw/zinc/19/41/54/607194154.db2.gz AEDWLTSCIWBIFG-UHFFFAOYSA-N -1 3 381.396 2.806 20 30 GFEDHM N#Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822829840 607243039 /nfs/dbraw/zinc/24/30/39/607243039.db2.gz LMWAMHBNWSGEQI-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821702898 607250261 /nfs/dbraw/zinc/25/02/61/607250261.db2.gz GBGHSWNPUMJSGM-UHFFFAOYSA-N -1 3 397.366 2.651 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821702898 607250262 /nfs/dbraw/zinc/25/02/62/607250262.db2.gz GBGHSWNPUMJSGM-UHFFFAOYSA-N -1 3 397.366 2.651 20 30 GFEDHM CCN(C(=O)COc1ccccc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372232 607878826 /nfs/dbraw/zinc/87/88/26/607878826.db2.gz SXQKPOLGGOQZDD-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM CCN(C(=O)COc1ccccc1C#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372232 607878827 /nfs/dbraw/zinc/87/88/27/607878827.db2.gz SXQKPOLGGOQZDD-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM C#CCNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000823850055 607967065 /nfs/dbraw/zinc/96/70/65/607967065.db2.gz JNBFMSUBSHWICT-UHFFFAOYSA-N -1 3 380.452 2.829 20 30 GFEDHM C#CCNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000823850055 607967066 /nfs/dbraw/zinc/96/70/66/607967066.db2.gz JNBFMSUBSHWICT-UHFFFAOYSA-N -1 3 380.452 2.829 20 30 GFEDHM C=C(C)CN(CC)C(=O)[C@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823878180 607984074 /nfs/dbraw/zinc/98/40/74/607984074.db2.gz SNLNTKFGGFJSEJ-ZDUSSCGKSA-N -1 3 375.498 2.922 20 30 GFEDHM C=C(C)CN(CC)C(=O)[C@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823878180 607984075 /nfs/dbraw/zinc/98/40/75/607984075.db2.gz SNLNTKFGGFJSEJ-ZDUSSCGKSA-N -1 3 375.498 2.922 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C)n(CCC)c1=S ZINC000823915558 608017583 /nfs/dbraw/zinc/01/75/83/608017583.db2.gz ZUPZOMAXIGOKHY-UHFFFAOYSA-N -1 3 384.513 2.958 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C)n(CCC)c1=S ZINC000823915558 608017584 /nfs/dbraw/zinc/01/75/84/608017584.db2.gz ZUPZOMAXIGOKHY-UHFFFAOYSA-N -1 3 384.513 2.958 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1c(Cl)nc2ccccn21 ZINC000826184561 608152288 /nfs/dbraw/zinc/15/22/88/608152288.db2.gz BLODXZDRAZKDED-UHFFFAOYSA-N -1 3 383.799 2.727 20 30 GFEDHM CCN(C(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)c(Cl)c1 ZINC000825372330 608347407 /nfs/dbraw/zinc/34/74/07/608347407.db2.gz VSSGLIHUYBLTDH-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM CCN(C(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)c(Cl)c1 ZINC000825372330 608347408 /nfs/dbraw/zinc/34/74/08/608347408.db2.gz VSSGLIHUYBLTDH-UHFFFAOYSA-N -1 3 382.811 2.824 20 30 GFEDHM N#Cc1cccc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1F ZINC000826386858 608393571 /nfs/dbraw/zinc/39/35/71/608393571.db2.gz VMXIZPLJDWECHX-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1cccc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1F ZINC000826386858 608393573 /nfs/dbraw/zinc/39/35/73/608393573.db2.gz VMXIZPLJDWECHX-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824047256 608465441 /nfs/dbraw/zinc/46/54/41/608465441.db2.gz ZFOGSNWTYPBBIF-OAHLLOKOSA-N -1 3 399.458 2.855 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H]1C ZINC000825499517 608538434 /nfs/dbraw/zinc/53/84/34/608538434.db2.gz NXSBEGWESOXZKJ-BXKDBHETSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H]1C ZINC000825499517 608538435 /nfs/dbraw/zinc/53/84/35/608538435.db2.gz NXSBEGWESOXZKJ-BXKDBHETSA-N -1 3 377.836 2.682 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000824284335 608667049 /nfs/dbraw/zinc/66/70/49/608667049.db2.gz FHAGODNZBVPTBX-UHFFFAOYSA-N -1 3 376.424 2.721 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000824284335 608667050 /nfs/dbraw/zinc/66/70/50/608667050.db2.gz FHAGODNZBVPTBX-UHFFFAOYSA-N -1 3 376.424 2.721 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nnn1-c1ccc(F)cc1 ZINC000826234071 608877488 /nfs/dbraw/zinc/87/74/88/608877488.db2.gz HHBBFWHPRXYBLJ-YCRREMRBSA-N -1 3 393.357 2.930 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nnn1-c1ccc(F)cc1 ZINC000826234071 608877490 /nfs/dbraw/zinc/87/74/90/608877490.db2.gz HHBBFWHPRXYBLJ-YCRREMRBSA-N -1 3 393.357 2.930 20 30 GFEDHM CC1(C#N)CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000824778503 609173722 /nfs/dbraw/zinc/17/37/22/609173722.db2.gz QFWCOJQMVPFSLG-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM CC1(C#N)CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000824778503 609173724 /nfs/dbraw/zinc/17/37/24/609173724.db2.gz QFWCOJQMVPFSLG-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400818 609274675 /nfs/dbraw/zinc/27/46/75/609274675.db2.gz JDPLRQCFVXBTQA-BAQGIRSFSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400818 609274677 /nfs/dbraw/zinc/27/46/77/609274677.db2.gz JDPLRQCFVXBTQA-BAQGIRSFSA-N -1 3 379.395 2.739 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826383031 609279669 /nfs/dbraw/zinc/27/96/69/609279669.db2.gz HHOFVPHPTMDMQT-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826383031 609279670 /nfs/dbraw/zinc/27/96/70/609279670.db2.gz HHOFVPHPTMDMQT-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM N#CCCN(Cc1ccccn1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826381644 609365126 /nfs/dbraw/zinc/36/51/26/609365126.db2.gz STQZVONBRSTTQY-UHFFFAOYSA-N -1 3 398.268 2.940 20 30 GFEDHM N#CCCN(Cc1ccccn1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826381644 609365129 /nfs/dbraw/zinc/36/51/29/609365129.db2.gz STQZVONBRSTTQY-UHFFFAOYSA-N -1 3 398.268 2.940 20 30 GFEDHM Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2)cn1 ZINC000826356379 609467382 /nfs/dbraw/zinc/46/73/82/609467382.db2.gz OCRCLOPISGEUNZ-UHFFFAOYSA-N -1 3 388.366 2.530 20 30 GFEDHM Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)cn1 ZINC000826356379 609467383 /nfs/dbraw/zinc/46/73/83/609467383.db2.gz OCRCLOPISGEUNZ-UHFFFAOYSA-N -1 3 388.366 2.530 20 30 GFEDHM O=C1C(=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCN1Cc1ccccc1 ZINC000826476681 609472251 /nfs/dbraw/zinc/47/22/51/609472251.db2.gz MOKSEBDQSPQTPN-UHFFFAOYSA-N -1 3 381.827 2.721 20 30 GFEDHM O=C1C(=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCN1Cc1ccccc1 ZINC000826476681 609472253 /nfs/dbraw/zinc/47/22/53/609472253.db2.gz MOKSEBDQSPQTPN-UHFFFAOYSA-N -1 3 381.827 2.721 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826383332 609482507 /nfs/dbraw/zinc/48/25/07/609482507.db2.gz VRXAEVHVXWHRGT-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826383332 609482509 /nfs/dbraw/zinc/48/25/09/609482509.db2.gz VRXAEVHVXWHRGT-UHFFFAOYSA-N -1 3 378.346 2.814 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824035518 609504123 /nfs/dbraw/zinc/50/41/23/609504123.db2.gz ZDMVUOCOCTWTQA-OLZOCXBDSA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824035518 609504124 /nfs/dbraw/zinc/50/41/24/609504124.db2.gz ZDMVUOCOCTWTQA-OLZOCXBDSA-N -1 3 377.408 2.597 20 30 GFEDHM Cc1cc(C(=O)Nc2cc(C#N)ccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826281441 609542048 /nfs/dbraw/zinc/54/20/48/609542048.db2.gz RYBOYELTWLXEOV-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C(=O)Nc2cc(C#N)ccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826281441 609542049 /nfs/dbraw/zinc/54/20/49/609542049.db2.gz RYBOYELTWLXEOV-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1 ZINC000041066554 654622458 /nfs/dbraw/zinc/62/24/58/654622458.db2.gz UWUZKZJWIRKSLF-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM N#Cc1c(F)cccc1S(=O)(=O)NCc1ccc([O-])c(Br)c1 ZINC000127275997 654826918 /nfs/dbraw/zinc/82/69/18/654826918.db2.gz YDPGQLNZASVONC-UHFFFAOYSA-N -1 3 385.214 2.644 20 30 GFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269818771 655023222 /nfs/dbraw/zinc/02/32/22/655023222.db2.gz VRNZDHJVNJGRFP-NSHDSACASA-N -1 3 376.232 2.574 20 30 GFEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)cc1Cl ZINC000104738106 655084912 /nfs/dbraw/zinc/08/49/12/655084912.db2.gz BOCFZJKGQFCULF-UHFFFAOYSA-N -1 3 381.816 2.788 20 30 GFEDHM O=C(CC(=O)NCC(F)(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000273055303 655128885 /nfs/dbraw/zinc/12/88/85/655128885.db2.gz XISCYAKEYBLZGQ-LLVKDONJSA-N -1 3 378.219 2.753 20 30 GFEDHM C[C@H]([N-]C(=O)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475438 655376570 /nfs/dbraw/zinc/37/65/70/655376570.db2.gz YXNHBXDGRNBPKJ-CDUCUWFYSA-N -1 3 378.219 2.751 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCSc1nccs1 ZINC000733880517 655622540 /nfs/dbraw/zinc/62/25/40/655622540.db2.gz MEAJJWQSFFLZPW-UHFFFAOYSA-N -1 3 376.507 2.963 20 30 GFEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCC#Cc2ccccc2Cl)ccc1F ZINC000747081549 655771397 /nfs/dbraw/zinc/77/13/97/655771397.db2.gz XCKNSLYLALROEZ-UHFFFAOYSA-N -1 3 381.812 2.596 20 30 GFEDHM COC(=O)c1cccc(N=Cc2c([O-])c(C)ncc2CO)c1Br ZINC000754822844 655874838 /nfs/dbraw/zinc/87/48/38/655874838.db2.gz OGJYCZDMNUTUGO-UHFFFAOYSA-N -1 3 379.210 2.888 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c(Cl)cc1Cl ZINC000755443021 655883411 /nfs/dbraw/zinc/88/34/11/655883411.db2.gz MSRCDAHGEMNUPE-VIFPVBQESA-N -1 3 379.265 2.997 20 30 GFEDHM CC(=NNC(=S)NCCc1ccccn1)c1ccc(Br)cc1[O-] ZINC000756825989 655905717 /nfs/dbraw/zinc/90/57/17/655905717.db2.gz ADIYYLZBRCLKIH-UHFFFAOYSA-N -1 3 393.310 2.981 20 30 GFEDHM CC(C)(C#N)CCCCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000768668592 656248321 /nfs/dbraw/zinc/24/83/21/656248321.db2.gz IOZPAJCIQAQEJE-UHFFFAOYSA-N -1 3 378.903 2.943 20 30 GFEDHM C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000791204823 658069363 /nfs/dbraw/zinc/06/93/63/658069363.db2.gz JTZFAGFIYGFGND-SNVBAGLBSA-N -1 3 389.304 2.966 20 30 GFEDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000794579779 658566409 /nfs/dbraw/zinc/56/64/09/658566409.db2.gz BWZDDKLHTHLSOY-UHFFFAOYSA-N -1 3 399.881 2.578 20 30 GFEDHM N#CC1(NC(=O)COC(=O)c2cc([O-])cc(Br)c2)CCCCC1 ZINC000860201119 662192159 /nfs/dbraw/zinc/19/21/59/662192159.db2.gz IXZSMPALKLEDFS-UHFFFAOYSA-N -1 3 381.226 2.654 20 30 GFEDHM Cn1ncc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c1Br ZINC000867304372 662540594 /nfs/dbraw/zinc/54/05/94/662540594.db2.gz NTSAYIJMEKNLMQ-CYBMUJFWSA-N -1 3 397.298 2.896 20 30 GFEDHM Cn1cc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c(Br)n1 ZINC000867305381 662540868 /nfs/dbraw/zinc/54/08/68/662540868.db2.gz XJSWFLLLCBTQFL-CYBMUJFWSA-N -1 3 397.298 2.896 20 30 GFEDHM COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000872544125 662776180 /nfs/dbraw/zinc/77/61/80/662776180.db2.gz VVBKFCRAIBNCPF-CYBMUJFWSA-N -1 3 378.372 2.533 20 30 GFEDHM O=C(Nc1cc(Br)ccc1N1CCCC1)N[C@H]1CCCN([O-])C1=O ZINC000878954219 662910971 /nfs/dbraw/zinc/91/09/71/662910971.db2.gz TVWIRFYEVYXPGD-LBPRGKRZSA-N -1 3 397.273 2.551 20 30 GFEDHM Cc1cc(Br)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Cl ZINC000879200102 662920343 /nfs/dbraw/zinc/92/03/43/662920343.db2.gz FYLHZZMTVKDMCZ-SNVBAGLBSA-N -1 3 376.638 2.913 20 30 GFEDHM O=C(Nc1cc(C(F)(F)F)ccc1Br)N[C@@H]1CCCN([O-])C1=O ZINC000879455690 662926566 /nfs/dbraw/zinc/92/65/66/662926566.db2.gz ZBFBAGNETRETFF-SECBINFHSA-N -1 3 396.163 2.970 20 30 GFEDHM C=CC[C@H]1CCN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000890565185 663305319 /nfs/dbraw/zinc/30/53/19/663305319.db2.gz YWDBLSORYIRMDF-NSHDSACASA-N -1 3 377.293 2.839 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccnc(Br)c1 ZINC000913080536 664321811 /nfs/dbraw/zinc/32/18/11/664321811.db2.gz DUHAIBYWRMSGCG-UHFFFAOYSA-N -1 3 389.253 2.682 20 30 GFEDHM C=CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000123067257 551302452 /nfs/dbraw/zinc/30/24/52/551302452.db2.gz HKSVQUUBGHSTGB-UHFFFAOYSA-N -1 3 386.539 2.958 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000156325327 551520165 /nfs/dbraw/zinc/52/01/65/551520165.db2.gz QKIFVLIKQMCKHB-VHSXEESVSA-N -1 3 377.344 2.866 20 30 GFEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000173536589 552087755 /nfs/dbraw/zinc/08/77/55/552087755.db2.gz BSTIGRRUACNRNT-UHFFFAOYSA-N -1 3 399.241 2.817 20 30 GFEDHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C#N)ccc1F ZINC000178814633 552176170 /nfs/dbraw/zinc/17/61/70/552176170.db2.gz MCKNOKHLEUYJCM-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000184949514 552348809 /nfs/dbraw/zinc/34/88/09/552348809.db2.gz BZMCVCCSFRALRT-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000188557798 552448103 /nfs/dbraw/zinc/44/81/03/552448103.db2.gz JCIQQZSKZGJLIM-SMDDNHRTSA-N -1 3 396.818 2.974 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000188557842 552448129 /nfs/dbraw/zinc/44/81/29/552448129.db2.gz JCIQQZSKZGJLIM-BXUZGUMPSA-N -1 3 396.818 2.974 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OCC1CC1 ZINC000416600757 563852137 /nfs/dbraw/zinc/85/21/37/563852137.db2.gz RFAICUZRXCDAKG-UHFFFAOYSA-N -1 3 387.299 2.804 20 30 GFEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000373520748 563340669 /nfs/dbraw/zinc/34/06/69/563340669.db2.gz IVIIZRZRENDGLL-GFCCVEGCSA-N -1 3 379.873 2.690 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000280497454 563340698 /nfs/dbraw/zinc/34/06/98/563340698.db2.gz BRZDNMPKSQTXLC-ABAIWWIYSA-N -1 3 390.299 2.717 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(c3nccs3)CC2)c1 ZINC000281419488 563376625 /nfs/dbraw/zinc/37/66/25/563376625.db2.gz FVGQUDBDTUMENS-UHFFFAOYSA-N -1 3 382.898 2.615 20 30 GFEDHM COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428255111 563485932 /nfs/dbraw/zinc/48/59/32/563485932.db2.gz GBCOWUKQCPUFMN-ZDUSSCGKSA-N -1 3 377.491 2.669 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1Br ZINC000428373946 563488198 /nfs/dbraw/zinc/48/81/98/563488198.db2.gz OSVSUJCHWANVPG-UHFFFAOYSA-N -1 3 380.267 2.929 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC000330662350 563516221 /nfs/dbraw/zinc/51/62/21/563516221.db2.gz DDEWWEUCEXUXQC-AWEZNQCLSA-N -1 3 387.299 2.540 20 30 GFEDHM C=CC[C@@H](CC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000410126681 563582310 /nfs/dbraw/zinc/58/23/10/563582310.db2.gz CMCLUJJXXFHGGU-NWDGAFQWSA-N -1 3 378.416 2.843 20 30 GFEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000410447523 563591390 /nfs/dbraw/zinc/59/13/90/563591390.db2.gz QBOZDQPEHFZPEB-LLVKDONJSA-N -1 3 376.463 2.527 20 30 GFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccccc1 ZINC000287904495 563622345 /nfs/dbraw/zinc/62/23/45/563622345.db2.gz SKCILZAODHVMDF-CYBMUJFWSA-N -1 3 382.283 2.534 20 30 GFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000437920076 563700325 /nfs/dbraw/zinc/70/03/25/563700325.db2.gz FMZUOEQEBVBRMB-UHFFFAOYSA-N -1 3 375.837 2.905 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCNC(=O)CC1CCCCC1 ZINC000443053582 563789347 /nfs/dbraw/zinc/78/93/47/563789347.db2.gz UZXYRDLJUYMPJG-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000292793653 563795966 /nfs/dbraw/zinc/79/59/66/563795966.db2.gz LSOPSPVZYGXSPD-UHFFFAOYSA-N -1 3 384.255 2.658 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC000416403240 563823141 /nfs/dbraw/zinc/82/31/41/563823141.db2.gz NBGQFZJNGIXHNR-AWEZNQCLSA-N -1 3 387.299 2.540 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccccn1 ZINC000416486487 563837134 /nfs/dbraw/zinc/83/71/34/563837134.db2.gz FWRHCFIEHWDLKT-UHFFFAOYSA-N -1 3 394.294 2.972 20 30 GFEDHM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369213956 563889897 /nfs/dbraw/zinc/88/98/97/563889897.db2.gz IAVKBLVUKCKWBN-MNOVXSKESA-N -1 3 383.861 2.519 20 30 GFEDHM C=CCCCC[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000472693482 564230700 /nfs/dbraw/zinc/23/07/00/564230700.db2.gz ONBPCMUPCPNPRN-UHFFFAOYSA-N -1 3 387.299 2.968 20 30 GFEDHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000507884729 564246383 /nfs/dbraw/zinc/24/63/83/564246383.db2.gz AIQUKEBIUAGHQH-AWEZNQCLSA-N -1 3 378.837 2.910 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000565727056 564293016 /nfs/dbraw/zinc/29/30/16/564293016.db2.gz AZAAZZAJOZWJIR-UHFFFAOYSA-N -1 3 379.251 2.815 20 30 GFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000451393835 564308266 /nfs/dbraw/zinc/30/82/66/564308266.db2.gz QUJZQUZVAHUAFV-SECBINFHSA-N -1 3 398.653 2.915 20 30 GFEDHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000451812345 564353966 /nfs/dbraw/zinc/35/39/66/564353966.db2.gz SXTXBTSYJLKMKQ-UHFFFAOYSA-N -1 3 394.294 2.935 20 30 GFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)OCC ZINC000451993077 564377499 /nfs/dbraw/zinc/37/74/99/564377499.db2.gz MKQMHUVSCZDOHE-NSHDSACASA-N -1 3 396.328 2.995 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000480711118 564483342 /nfs/dbraw/zinc/48/33/42/564483342.db2.gz PUECVCWPZDTGMT-UHFFFAOYSA-N -1 3 399.241 2.785 20 30 GFEDHM C=C(C)CCNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000455310995 564548669 /nfs/dbraw/zinc/54/86/69/564548669.db2.gz FALWLTBFSBSVQG-UHFFFAOYSA-N -1 3 380.297 2.537 20 30 GFEDHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000518458145 564554440 /nfs/dbraw/zinc/55/44/40/564554440.db2.gz SPVYJKWQBNCPCY-GFCCVEGCSA-N -1 3 375.416 2.730 20 30 GFEDHM COc1ccccc1CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000550435607 564624193 /nfs/dbraw/zinc/62/41/93/564624193.db2.gz RIDTXYIVYQFIDB-UHFFFAOYSA-N -1 3 395.278 2.850 20 30 GFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000553499836 564723254 /nfs/dbraw/zinc/72/32/54/564723254.db2.gz PFZQCZNNMRTHBB-LSDHHAIUSA-N -1 3 399.310 2.947 20 30 GFEDHM Cc1nccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Br ZINC000527342186 564740779 /nfs/dbraw/zinc/74/07/79/564740779.db2.gz HKOVIEHYVXVYFO-UHFFFAOYSA-N -1 3 389.253 2.735 20 30 GFEDHM Cc1nc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)cs1 ZINC000555949381 564809699 /nfs/dbraw/zinc/80/96/99/564809699.db2.gz IAIYGWOBPDRCFK-UHFFFAOYSA-N -1 3 386.296 2.607 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)c1 ZINC000494612636 564834895 /nfs/dbraw/zinc/83/48/95/564834895.db2.gz OFHLJGZIIIMNFX-UHFFFAOYSA-N -1 3 375.837 2.661 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000497983551 564883534 /nfs/dbraw/zinc/88/35/34/564883534.db2.gz MGOLISGZIXPIOU-ZJUUUORDSA-N -1 3 383.285 2.825 20 30 GFEDHM O=S(=O)([N-]CC(F)(F)CO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000466580331 564944231 /nfs/dbraw/zinc/94/42/31/564944231.db2.gz CUOFSKLNVDYMSL-UHFFFAOYSA-N -1 3 387.248 2.630 20 30 GFEDHM CO[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000469281529 565011590 /nfs/dbraw/zinc/01/15/90/565011590.db2.gz KKYFNHPKWIQWAN-LLVKDONJSA-N -1 3 390.305 2.823 20 30 GFEDHM N#CC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)C1 ZINC000590485387 565189711 /nfs/dbraw/zinc/18/97/11/565189711.db2.gz LTOSLUJYMKNCMX-UHFFFAOYSA-N -1 3 375.837 2.736 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000593568456 565342944 /nfs/dbraw/zinc/34/29/44/565342944.db2.gz HSMWORKVCMAWII-CZUORRHYSA-N -1 3 383.445 2.622 20 30 GFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000594816504 565424788 /nfs/dbraw/zinc/42/47/88/565424788.db2.gz DJKHADCVIWJGKY-UHFFFAOYSA-N -1 3 393.914 2.723 20 30 GFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1C(=O)OC ZINC000595327796 565465125 /nfs/dbraw/zinc/46/51/25/565465125.db2.gz UJSDBBOXUUAZLF-LLVKDONJSA-N -1 3 376.272 2.869 20 30 GFEDHM CC1CCC(O)(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595409726 565474512 /nfs/dbraw/zinc/47/45/12/565474512.db2.gz GLESFIZRNOWPSA-UHFFFAOYSA-N -1 3 376.400 2.797 20 30 GFEDHM Cc1nc(C)c(CCC(=O)N[C@@H](C#N)c2ccccc2Br)c(=O)[n-]1 ZINC000609590160 566045597 /nfs/dbraw/zinc/04/55/97/566045597.db2.gz DKADIDWFOXSQQK-HNNXBMFYSA-N -1 3 389.253 2.875 20 30 GFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)s1 ZINC000610338654 566078441 /nfs/dbraw/zinc/07/84/41/566078441.db2.gz LYCQKMSENWUCPX-NWDGAFQWSA-N -1 3 377.491 2.856 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCOCC1 ZINC000657129231 566227766 /nfs/dbraw/zinc/22/77/66/566227766.db2.gz HUUCAFFVMMGOCL-UHFFFAOYSA-N -1 3 378.263 2.992 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736308442 598876809 /nfs/dbraw/zinc/87/68/09/598876809.db2.gz DKWMNELUZJUFEF-MRXNPFEDSA-N -1 3 377.408 2.869 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736308442 598876812 /nfs/dbraw/zinc/87/68/12/598876812.db2.gz DKWMNELUZJUFEF-MRXNPFEDSA-N -1 3 377.408 2.869 20 30 GFEDHM C#CCSCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735388006 598903494 /nfs/dbraw/zinc/90/34/94/598903494.db2.gz OHKPZNGGILZLHT-UHFFFAOYSA-N -1 3 395.448 2.542 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000735419567 598912342 /nfs/dbraw/zinc/91/23/42/598912342.db2.gz VXYXXWNSHPDMAU-SFHVURJKSA-N -1 3 379.395 2.524 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000735419567 598912343 /nfs/dbraw/zinc/91/23/43/598912343.db2.gz VXYXXWNSHPDMAU-SFHVURJKSA-N -1 3 379.395 2.524 20 30 GFEDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1OC(F)F ZINC000737041068 598916427 /nfs/dbraw/zinc/91/64/27/598916427.db2.gz KMCPLYJISUMATO-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1OC(F)F ZINC000737041068 598916428 /nfs/dbraw/zinc/91/64/28/598916428.db2.gz KMCPLYJISUMATO-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737191137 598918039 /nfs/dbraw/zinc/91/80/39/598918039.db2.gz MEPHGUQQEFZYGQ-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737191137 598918041 /nfs/dbraw/zinc/91/80/41/598918041.db2.gz MEPHGUQQEFZYGQ-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM CCOc1ccccc1OCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736655188 598918302 /nfs/dbraw/zinc/91/83/02/598918302.db2.gz OXFIIRHKXJOYGY-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM CCOc1ccccc1OCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736655188 598918303 /nfs/dbraw/zinc/91/83/03/598918303.db2.gz OXFIIRHKXJOYGY-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000737072073 598926136 /nfs/dbraw/zinc/92/61/36/598926136.db2.gz OWFLRRIAAGJLME-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000737072073 598926137 /nfs/dbraw/zinc/92/61/37/598926137.db2.gz OWFLRRIAAGJLME-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OCC ZINC000736638448 598928335 /nfs/dbraw/zinc/92/83/35/598928335.db2.gz ZHDSWUWZMBMRGF-UHFFFAOYSA-N -1 3 378.392 2.788 20 30 GFEDHM CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OCC ZINC000736638448 598928337 /nfs/dbraw/zinc/92/83/37/598928337.db2.gz ZHDSWUWZMBMRGF-UHFFFAOYSA-N -1 3 378.392 2.788 20 30 GFEDHM Cc1ccc(C#N)cc1S(=O)(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737307296 598932371 /nfs/dbraw/zinc/93/23/71/598932371.db2.gz WYEGHKQUBLAXJV-UHFFFAOYSA-N -1 3 396.476 2.898 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000819773929 607252984 /nfs/dbraw/zinc/25/29/84/607252984.db2.gz XLYGHROMKCVXNE-UHFFFAOYSA-N -1 3 375.436 2.610 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000819773929 607252985 /nfs/dbraw/zinc/25/29/85/607252985.db2.gz XLYGHROMKCVXNE-UHFFFAOYSA-N -1 3 375.436 2.610 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000737221522 599001874 /nfs/dbraw/zinc/00/18/74/599001874.db2.gz NKACHZXDPUGSDX-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000737221522 599001876 /nfs/dbraw/zinc/00/18/76/599001876.db2.gz NKACHZXDPUGSDX-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM C=CCn1c2ccccc2nc1S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735443479 599011097 /nfs/dbraw/zinc/01/10/97/599011097.db2.gz WOVZIYUMTUUTPP-MRXNPFEDSA-N -1 3 391.460 2.721 20 30 GFEDHM C=CCn1c2ccccc2nc1S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735443479 599011099 /nfs/dbraw/zinc/01/10/99/599011099.db2.gz WOVZIYUMTUUTPP-MRXNPFEDSA-N -1 3 391.460 2.721 20 30 GFEDHM CN(C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1(C#N)CCC1 ZINC000736741663 599025585 /nfs/dbraw/zinc/02/55/85/599025585.db2.gz HXFYHQRXFAYRAZ-UHFFFAOYSA-N -1 3 388.431 2.964 20 30 GFEDHM N#Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)nc2ccc([N+](=O)[O-])cc12 ZINC000822823635 599071430 /nfs/dbraw/zinc/07/14/30/599071430.db2.gz VLJCOMPTSSUJTG-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM N#Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)nc2ccc([N+](=O)[O-])cc12 ZINC000822823635 599071432 /nfs/dbraw/zinc/07/14/32/599071432.db2.gz VLJCOMPTSSUJTG-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1O ZINC000821711858 599113317 /nfs/dbraw/zinc/11/33/17/599113317.db2.gz AVICEZJVOJXMET-NTUHNPAUSA-N -1 3 378.388 2.802 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(OC)c1O ZINC000821711858 599113320 /nfs/dbraw/zinc/11/33/20/599113320.db2.gz AVICEZJVOJXMET-NTUHNPAUSA-N -1 3 378.388 2.802 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cc(C)ccc2C)cc1-c1nnn[n-]1 ZINC000737082471 599126785 /nfs/dbraw/zinc/12/67/85/599126785.db2.gz VPMBNJHOIZOSTE-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cc(C)ccc2C)cc1-c1nn[n-]n1 ZINC000737082471 599126788 /nfs/dbraw/zinc/12/67/88/599126788.db2.gz VPMBNJHOIZOSTE-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM COc1ccc(C=CC(=O)c2cccc(N3CCOC3=O)c2)cc1-c1nnn[n-]1 ZINC000737082535 599155838 /nfs/dbraw/zinc/15/58/38/599155838.db2.gz WYIFYEBRXRIFHF-ALCCZGGFSA-N -1 3 391.387 2.728 20 30 GFEDHM Cc1noc(C)c1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737536081 599158283 /nfs/dbraw/zinc/15/82/83/599158283.db2.gz DZHMLVIIOFAWDG-CMDGGOBGSA-N -1 3 375.392 2.862 20 30 GFEDHM CCOc1cc(C#N)ccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000736625911 599159283 /nfs/dbraw/zinc/15/92/83/599159283.db2.gz GETYTBHGQOCCNI-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM CCOc1cc(C#N)ccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000736625911 599159285 /nfs/dbraw/zinc/15/92/85/599159285.db2.gz GETYTBHGQOCCNI-UHFFFAOYSA-N -1 3 389.375 2.766 20 30 GFEDHM COc1ccc(C=CC(=O)c2cccc(N3CCOC3=O)c2)cc1-c1nn[n-]n1 ZINC000737082535 599155840 /nfs/dbraw/zinc/15/58/40/599155840.db2.gz WYIFYEBRXRIFHF-ALCCZGGFSA-N -1 3 391.387 2.728 20 30 GFEDHM N#Cc1ccc(OCCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737721098 599176737 /nfs/dbraw/zinc/17/67/37/599176737.db2.gz GMUBKPJQSQFGQD-UHFFFAOYSA-N -1 3 399.867 2.757 20 30 GFEDHM N#Cc1ccc(OCCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737721098 599176740 /nfs/dbraw/zinc/17/67/40/599176740.db2.gz GMUBKPJQSQFGQD-UHFFFAOYSA-N -1 3 399.867 2.757 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819709442 599258677 /nfs/dbraw/zinc/25/86/77/599258677.db2.gz FTODOXQGEMYXAR-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819709442 599258679 /nfs/dbraw/zinc/25/86/79/599258679.db2.gz FTODOXQGEMYXAR-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000735420948 599279197 /nfs/dbraw/zinc/27/91/97/599279197.db2.gz VURDQTKVLFAPAV-NDEPHWFRSA-N -1 3 396.476 2.824 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000735420948 599279200 /nfs/dbraw/zinc/27/92/00/599279200.db2.gz VURDQTKVLFAPAV-NDEPHWFRSA-N -1 3 396.476 2.824 20 30 GFEDHM N#CCc1cccc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737697971 598238332 /nfs/dbraw/zinc/23/83/32/598238332.db2.gz PBASWPJVWVUDNM-UHFFFAOYSA-N -1 3 388.431 2.616 20 30 GFEDHM N#CCc1cccc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737697971 598238335 /nfs/dbraw/zinc/23/83/35/598238335.db2.gz PBASWPJVWVUDNM-UHFFFAOYSA-N -1 3 388.431 2.616 20 30 GFEDHM N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000737730181 598255862 /nfs/dbraw/zinc/25/58/62/598255862.db2.gz HFYBFYWJOKNXHG-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM N#Cc1cccc(OC2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000737730181 598255864 /nfs/dbraw/zinc/25/58/64/598255864.db2.gz HFYBFYWJOKNXHG-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc2ccccc2n1CC#N ZINC000736625543 598277436 /nfs/dbraw/zinc/27/74/36/598277436.db2.gz BIHUPBPYPDXYGU-UHFFFAOYSA-N -1 3 388.387 2.963 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc2ccccc2n1CC#N ZINC000736625543 598277437 /nfs/dbraw/zinc/27/74/37/598277437.db2.gz BIHUPBPYPDXYGU-UHFFFAOYSA-N -1 3 388.387 2.963 20 30 GFEDHM C#Cc1cccc(NC(=S)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391126 598323277 /nfs/dbraw/zinc/32/32/77/598323277.db2.gz MQWVZZHQIAWXJK-UHFFFAOYSA-N -1 3 392.488 2.693 20 30 GFEDHM C#Cc1cccc(NC(=S)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391126 598323279 /nfs/dbraw/zinc/32/32/79/598323279.db2.gz MQWVZZHQIAWXJK-UHFFFAOYSA-N -1 3 392.488 2.693 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380990 598416896 /nfs/dbraw/zinc/41/68/96/598416896.db2.gz QLCUNLYFZITFBZ-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM COC[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821680457 607357379 /nfs/dbraw/zinc/35/73/79/607357379.db2.gz JXHOQBBEZGXMFI-IBGZPJMESA-N -1 3 394.460 2.676 20 30 GFEDHM COC[C@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821680457 607357380 /nfs/dbraw/zinc/35/73/80/607357380.db2.gz JXHOQBBEZGXMFI-IBGZPJMESA-N -1 3 394.460 2.676 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737717797 598576490 /nfs/dbraw/zinc/57/64/90/598576490.db2.gz IWAIQRKXVQCMSS-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737717797 598576492 /nfs/dbraw/zinc/57/64/92/598576492.db2.gz IWAIQRKXVQCMSS-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM N#CCOc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737697224 598653154 /nfs/dbraw/zinc/65/31/54/598653154.db2.gz DZXVQUOKDWDVSB-UHFFFAOYSA-N -1 3 392.419 2.957 20 30 GFEDHM N#CCOc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737697224 598653155 /nfs/dbraw/zinc/65/31/55/598653155.db2.gz DZXVQUOKDWDVSB-UHFFFAOYSA-N -1 3 392.419 2.957 20 30 GFEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737727776 598663013 /nfs/dbraw/zinc/66/30/13/598663013.db2.gz SIPVAWVHNWJZFZ-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccccc1COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737727776 598663015 /nfs/dbraw/zinc/66/30/15/598663015.db2.gz SIPVAWVHNWJZFZ-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000735416733 598761143 /nfs/dbraw/zinc/76/11/43/598761143.db2.gz PSDHYPSFFQQBIU-UHFFFAOYSA-N -1 3 382.468 2.709 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000735416733 598761144 /nfs/dbraw/zinc/76/11/44/598761144.db2.gz PSDHYPSFFQQBIU-UHFFFAOYSA-N -1 3 382.468 2.709 20 30 GFEDHM C[C@H](SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736190993 599330625 /nfs/dbraw/zinc/33/06/25/599330625.db2.gz UYOAHIWUFFRZEC-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@H](SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736190993 599330628 /nfs/dbraw/zinc/33/06/28/599330628.db2.gz UYOAHIWUFFRZEC-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM N#CC1(NC(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCCC1 ZINC000737677446 599331316 /nfs/dbraw/zinc/33/13/16/599331316.db2.gz CPHICYWUNGBUSC-UHFFFAOYSA-N -1 3 393.373 2.640 20 30 GFEDHM N#CC1(NC(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCCC1 ZINC000737677446 599331318 /nfs/dbraw/zinc/33/13/18/599331318.db2.gz CPHICYWUNGBUSC-UHFFFAOYSA-N -1 3 393.373 2.640 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(-n2cccn2)cc1 ZINC000737807060 599463585 /nfs/dbraw/zinc/46/35/85/599463585.db2.gz NGFKPVSWZNIVTF-BQYQJAHWSA-N -1 3 382.387 2.596 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(-n2cccn2)cc1 ZINC000737807060 599463588 /nfs/dbraw/zinc/46/35/88/599463588.db2.gz NGFKPVSWZNIVTF-BQYQJAHWSA-N -1 3 382.387 2.596 20 30 GFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820323069 599505864 /nfs/dbraw/zinc/50/58/64/599505864.db2.gz WXDOYONMSWZZIJ-KUHUBIRLSA-N -1 3 387.447 2.585 20 30 GFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3ccc(OCC#N)cc3)c2c1 ZINC000822196563 599521462 /nfs/dbraw/zinc/52/14/62/599521462.db2.gz NRHXHSLBMJOKII-UHFFFAOYSA-N -1 3 385.431 2.968 20 30 GFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3ccc(OCC#N)cc3)c2c1 ZINC000822196563 599521464 /nfs/dbraw/zinc/52/14/64/599521464.db2.gz NRHXHSLBMJOKII-UHFFFAOYSA-N -1 3 385.431 2.968 20 30 GFEDHM N#Cc1cccc(C2(NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386441 607425797 /nfs/dbraw/zinc/42/57/97/607425797.db2.gz DYVVNVFULIJTHF-UHFFFAOYSA-N -1 3 376.445 2.636 20 30 GFEDHM N#Cc1cccc(C2(NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386441 607425800 /nfs/dbraw/zinc/42/58/00/607425800.db2.gz DYVVNVFULIJTHF-UHFFFAOYSA-N -1 3 376.445 2.636 20 30 GFEDHM C=C(Br)CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819718458 607431949 /nfs/dbraw/zinc/43/19/49/607431949.db2.gz HZWUGTLKLDHVMT-UHFFFAOYSA-N -1 3 381.234 2.684 20 30 GFEDHM C=C(Br)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819718458 607431951 /nfs/dbraw/zinc/43/19/51/607431951.db2.gz HZWUGTLKLDHVMT-UHFFFAOYSA-N -1 3 381.234 2.684 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000819734558 607438924 /nfs/dbraw/zinc/43/89/24/607438924.db2.gz RCJIKMBZJANSQZ-GOSISDBHSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000819734558 607438925 /nfs/dbraw/zinc/43/89/25/607438925.db2.gz RCJIKMBZJANSQZ-GOSISDBHSA-N -1 3 390.447 2.937 20 30 GFEDHM C#CCN1CCC(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1 ZINC000736080414 600602954 /nfs/dbraw/zinc/60/29/54/600602954.db2.gz VRUBWWAMELMSKH-NRFANRHFSA-N -1 3 378.472 2.545 20 30 GFEDHM Cc1ccc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)s1 ZINC000832911756 601312790 /nfs/dbraw/zinc/31/27/90/601312790.db2.gz WHBWHCBRCVMMIV-GOSISDBHSA-N -1 3 383.473 2.948 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000825545790 607761581 /nfs/dbraw/zinc/76/15/81/607761581.db2.gz XDKYFACZYDEDRJ-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000825545790 607761582 /nfs/dbraw/zinc/76/15/82/607761582.db2.gz XDKYFACZYDEDRJ-UHFFFAOYSA-N -1 3 377.364 2.559 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC000825545293 607761639 /nfs/dbraw/zinc/76/16/39/607761639.db2.gz OTILZNMTOKLMQC-UHFFFAOYSA-N -1 3 391.391 2.868 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2C)cc1-c1nn[n-]n1 ZINC000825545293 607761640 /nfs/dbraw/zinc/76/16/40/607761640.db2.gz OTILZNMTOKLMQC-UHFFFAOYSA-N -1 3 391.391 2.868 20 30 GFEDHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCC1 ZINC000819933666 606148667 /nfs/dbraw/zinc/14/86/67/606148667.db2.gz ZBFOPZPRQKGQTL-UHFFFAOYSA-N -1 3 397.439 2.514 20 30 GFEDHM CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCC1 ZINC000819933666 606148669 /nfs/dbraw/zinc/14/86/69/606148669.db2.gz ZBFOPZPRQKGQTL-UHFFFAOYSA-N -1 3 397.439 2.514 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)c1 ZINC000822837189 606257284 /nfs/dbraw/zinc/25/72/84/606257284.db2.gz IVGLFOOHSPQUPV-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1cccc(COc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)c1 ZINC000822837189 606257286 /nfs/dbraw/zinc/25/72/86/606257286.db2.gz IVGLFOOHSPQUPV-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000822641530 606257488 /nfs/dbraw/zinc/25/74/88/606257488.db2.gz OIAPNNNAVBVLBP-UHFFFAOYSA-N -1 3 389.444 2.735 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000822641530 606257489 /nfs/dbraw/zinc/25/74/89/606257489.db2.gz OIAPNNNAVBVLBP-UHFFFAOYSA-N -1 3 389.444 2.735 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)cc2C#N)c(-c2nnn[n-]2)c(C)c1C ZINC000822453899 606266951 /nfs/dbraw/zinc/26/69/51/606266951.db2.gz QBWPODCFZIZORF-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM Cc1nc(SCC(=O)Nc2ccc(F)cc2C#N)c(-c2nn[n-]n2)c(C)c1C ZINC000822453899 606266952 /nfs/dbraw/zinc/26/69/52/606266952.db2.gz QBWPODCFZIZORF-UHFFFAOYSA-N -1 3 397.439 2.929 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822801300 606299691 /nfs/dbraw/zinc/29/96/91/606299691.db2.gz GVZPZNWLCBVELS-BEFAXECRSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000822801300 606299692 /nfs/dbraw/zinc/29/96/92/606299692.db2.gz GVZPZNWLCBVELS-BEFAXECRSA-N -1 3 388.431 2.868 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822501045 606348671 /nfs/dbraw/zinc/34/86/71/606348671.db2.gz SKOHKSQSKCCMSS-OAHLLOKOSA-N -1 3 393.451 2.831 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822501045 606348672 /nfs/dbraw/zinc/34/86/72/606348672.db2.gz SKOHKSQSKCCMSS-OAHLLOKOSA-N -1 3 393.451 2.831 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819759372 606369506 /nfs/dbraw/zinc/36/95/06/606369506.db2.gz VMPGFZYHRWKINC-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccc(C(=O)O[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819759372 606369508 /nfs/dbraw/zinc/36/95/08/606369508.db2.gz VMPGFZYHRWKINC-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM N#Cc1csc(C(=O)OCCOc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000822845686 606465200 /nfs/dbraw/zinc/46/52/00/606465200.db2.gz DASHLCWZUHXLRR-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM N#Cc1csc(C(=O)OCCOc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000822845686 606465201 /nfs/dbraw/zinc/46/52/01/606465201.db2.gz DASHLCWZUHXLRR-UHFFFAOYSA-N -1 3 392.400 2.584 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(C#N)cs2)c1-c1nnn[n-]1 ZINC000822486515 606569667 /nfs/dbraw/zinc/56/96/67/606569667.db2.gz MOQDXAFUSGCZJD-UHFFFAOYSA-N -1 3 391.416 2.651 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1Br ZINC000822801832 606572203 /nfs/dbraw/zinc/57/22/03/606572203.db2.gz PEXBFCCZZIKKSC-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1Br ZINC000822801832 606572205 /nfs/dbraw/zinc/57/22/05/606572205.db2.gz PEXBFCCZZIKKSC-NSHDSACASA-N -1 3 389.238 2.685 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-n2cccc2)nc1 ZINC000819745712 606601784 /nfs/dbraw/zinc/60/17/84/606601784.db2.gz QIQGGTKPSOXILS-UHFFFAOYSA-N -1 3 385.431 2.881 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-n2cccc2)nc1 ZINC000819745712 606601785 /nfs/dbraw/zinc/60/17/85/606601785.db2.gz QIQGGTKPSOXILS-UHFFFAOYSA-N -1 3 385.431 2.881 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)c1ccncc1 ZINC000819742911 606602589 /nfs/dbraw/zinc/60/25/89/606602589.db2.gz BOSYHDCVRYAXGH-OAHLLOKOSA-N -1 3 377.452 2.763 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)c1ccncc1 ZINC000819742911 606602591 /nfs/dbraw/zinc/60/25/91/606602591.db2.gz BOSYHDCVRYAXGH-OAHLLOKOSA-N -1 3 377.452 2.763 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819751362 606665055 /nfs/dbraw/zinc/66/50/55/606665055.db2.gz UAMCOQRDLUODBF-UHFFFAOYSA-N -1 3 399.361 2.705 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819751362 606665056 /nfs/dbraw/zinc/66/50/56/606665056.db2.gz UAMCOQRDLUODBF-UHFFFAOYSA-N -1 3 399.361 2.705 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821309323 607099746 /nfs/dbraw/zinc/09/97/46/607099746.db2.gz MOODODFFGIUUIK-LBPRGKRZSA-N -1 3 377.408 2.576 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821309323 607099748 /nfs/dbraw/zinc/09/97/48/607099748.db2.gz MOODODFFGIUUIK-LBPRGKRZSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820004753 607117649 /nfs/dbraw/zinc/11/76/49/607117649.db2.gz AYGYBMAHHLZIQV-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820004753 607117650 /nfs/dbraw/zinc/11/76/50/607117650.db2.gz AYGYBMAHHLZIQV-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM C=CCCO[C@@H](C)C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819740048 607239432 /nfs/dbraw/zinc/23/94/32/607239432.db2.gz MPLDFWOCRQPOOF-VIFPVBQESA-N -1 3 397.229 2.524 20 30 GFEDHM C=CCCO[C@@H](C)C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819740048 607239433 /nfs/dbraw/zinc/23/94/33/607239433.db2.gz MPLDFWOCRQPOOF-VIFPVBQESA-N -1 3 397.229 2.524 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccsc1C(=O)OC ZINC000823909966 607782031 /nfs/dbraw/zinc/78/20/31/607782031.db2.gz UMGIEXYZSSOEOY-UHFFFAOYSA-N -1 3 398.448 2.935 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccsc1C(=O)OC ZINC000823909966 607782032 /nfs/dbraw/zinc/78/20/32/607782032.db2.gz UMGIEXYZSSOEOY-UHFFFAOYSA-N -1 3 398.448 2.935 20 30 GFEDHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825654396 607796003 /nfs/dbraw/zinc/79/60/03/607796003.db2.gz ZXPPEIPQQISKHB-UHFFFAOYSA-N -1 3 384.346 2.868 20 30 GFEDHM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825654396 607796004 /nfs/dbraw/zinc/79/60/04/607796004.db2.gz ZXPPEIPQQISKHB-UHFFFAOYSA-N -1 3 384.346 2.868 20 30 GFEDHM Fc1ccc(-n2cc(C=NNc3cccc(-c4nnn[n-]4)c3)nn2)c(Cl)c1 ZINC000826373601 607886292 /nfs/dbraw/zinc/88/62/92/607886292.db2.gz SHNSITGAIGWEBD-UHFFFAOYSA-N -1 3 383.778 2.686 20 30 GFEDHM Fc1ccc(-n2cc(C=NNc3cccc(-c4nn[n-]n4)c3)nn2)c(Cl)c1 ZINC000826373601 607886293 /nfs/dbraw/zinc/88/62/93/607886293.db2.gz SHNSITGAIGWEBD-UHFFFAOYSA-N -1 3 383.778 2.686 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823919866 608326066 /nfs/dbraw/zinc/32/60/66/608326066.db2.gz RXMTVAKEIWLOLH-UHFFFAOYSA-N -1 3 393.469 2.585 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823919866 608326069 /nfs/dbraw/zinc/32/60/69/608326069.db2.gz RXMTVAKEIWLOLH-UHFFFAOYSA-N -1 3 393.469 2.585 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CSc1ccc(C#N)cc1 ZINC000826172244 608350874 /nfs/dbraw/zinc/35/08/74/608350874.db2.gz VKNNQBNAEKHGHW-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CSc1ccc(C#N)cc1 ZINC000826172244 608350876 /nfs/dbraw/zinc/35/08/76/608350876.db2.gz VKNNQBNAEKHGHW-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM C=C(C)COCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823878414 608352441 /nfs/dbraw/zinc/35/24/41/608352441.db2.gz YFTGZMVJDWRKNT-UHFFFAOYSA-N -1 3 392.463 2.926 20 30 GFEDHM C=C(C)COCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823878414 608352442 /nfs/dbraw/zinc/35/24/42/608352442.db2.gz YFTGZMVJDWRKNT-UHFFFAOYSA-N -1 3 392.463 2.926 20 30 GFEDHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824046845 608465317 /nfs/dbraw/zinc/46/53/17/608465317.db2.gz WAUVDFASVKQUEG-HNNXBMFYSA-N -1 3 399.458 2.855 20 30 GFEDHM C=CCOc1cccnc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823931819 608470238 /nfs/dbraw/zinc/47/02/38/608470238.db2.gz GINCGXTUZBNXIK-UHFFFAOYSA-N -1 3 388.431 2.756 20 30 GFEDHM C=CCOc1cccnc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823931819 608470239 /nfs/dbraw/zinc/47/02/39/608470239.db2.gz GINCGXTUZBNXIK-UHFFFAOYSA-N -1 3 388.431 2.756 20 30 GFEDHM N#C[C@H](C(=O)OCC(F)(F)F)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379425 608494828 /nfs/dbraw/zinc/49/48/28/608494828.db2.gz RFMUIJNZEAXKDV-JTQLQIEISA-N -1 3 394.338 2.703 20 30 GFEDHM Cc1nn(C)c(C)c1C(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)C(F)(F)F ZINC000826333061 608534511 /nfs/dbraw/zinc/53/45/11/608534511.db2.gz RZATUKRUCSZAEM-UHFFFAOYSA-N -1 3 399.768 2.644 20 30 GFEDHM Cc1nn(C)c(C)c1C(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)C(F)(F)F ZINC000826333061 608534512 /nfs/dbraw/zinc/53/45/12/608534512.db2.gz RZATUKRUCSZAEM-UHFFFAOYSA-N -1 3 399.768 2.644 20 30 GFEDHM Fc1cc(F)c2c(c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)CCO2 ZINC000826372949 608540030 /nfs/dbraw/zinc/54/00/30/608540030.db2.gz SVOIBXRXUBZIQS-UHFFFAOYSA-N -1 3 377.742 2.792 20 30 GFEDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826263491 608835642 /nfs/dbraw/zinc/83/56/42/608835642.db2.gz DJEHLFQQFYCBDF-UHFFFAOYSA-N -1 3 377.364 2.824 20 30 GFEDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826263491 608835646 /nfs/dbraw/zinc/83/56/46/608835646.db2.gz DJEHLFQQFYCBDF-UHFFFAOYSA-N -1 3 377.364 2.824 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824034760 609164339 /nfs/dbraw/zinc/16/43/39/609164339.db2.gz OOURRYWTGYWPBK-NSHDSACASA-N -1 3 381.371 2.618 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824034760 609164340 /nfs/dbraw/zinc/16/43/40/609164340.db2.gz OOURRYWTGYWPBK-NSHDSACASA-N -1 3 381.371 2.618 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)nc2)c1-c1nnn[n-]1 ZINC000826234120 609165124 /nfs/dbraw/zinc/16/51/24/609165124.db2.gz IYEWEXHGSZPZCT-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)nc2)c1-c1nn[n-]n1 ZINC000826234120 609165127 /nfs/dbraw/zinc/16/51/27/609165127.db2.gz IYEWEXHGSZPZCT-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000825480509 609178677 /nfs/dbraw/zinc/17/86/77/609178677.db2.gz ANVLIKMQBHFGEF-UHFFFAOYSA-N -1 3 387.407 2.832 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826103401 609271994 /nfs/dbraw/zinc/27/19/94/609271994.db2.gz FZYMFUDKTZCKEJ-DUWGPSABSA-N -1 3 396.378 2.842 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826103401 609271997 /nfs/dbraw/zinc/27/19/97/609271997.db2.gz FZYMFUDKTZCKEJ-DUWGPSABSA-N -1 3 396.378 2.842 20 30 GFEDHM Cn1cc(C=NNc2cc(F)cc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360562 609305080 /nfs/dbraw/zinc/30/50/80/609305080.db2.gz PKASNCGBTPIYEJ-UHFFFAOYSA-N -1 3 380.362 2.991 20 30 GFEDHM Cn1cc(C=NNc2cc(F)cc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360562 609305081 /nfs/dbraw/zinc/30/50/81/609305081.db2.gz PKASNCGBTPIYEJ-UHFFFAOYSA-N -1 3 380.362 2.991 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826384950 609348554 /nfs/dbraw/zinc/34/85/54/609348554.db2.gz RADGVOGWNYNZBP-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826384950 609348556 /nfs/dbraw/zinc/34/85/56/609348556.db2.gz RADGVOGWNYNZBP-UHFFFAOYSA-N -1 3 398.220 2.787 20 30 GFEDHM FC(F)Oc1ccccc1C=NOCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826370177 609467163 /nfs/dbraw/zinc/46/71/63/609467163.db2.gz HFVLRUPJXYNLSV-UHFFFAOYSA-N -1 3 375.335 2.898 20 30 GFEDHM FC(F)Oc1ccccc1C=NOCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826370177 609467164 /nfs/dbraw/zinc/46/71/64/609467164.db2.gz HFVLRUPJXYNLSV-UHFFFAOYSA-N -1 3 375.335 2.898 20 30 GFEDHM COc1cc(OC)c(OC)cc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826181202 609473715 /nfs/dbraw/zinc/47/37/15/609473715.db2.gz PKGKHDFGAKJIHE-UHFFFAOYSA-N -1 3 388.815 2.992 20 30 GFEDHM COc1cc(OC)c(OC)cc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826181202 609473716 /nfs/dbraw/zinc/47/37/16/609473716.db2.gz PKGKHDFGAKJIHE-UHFFFAOYSA-N -1 3 388.815 2.992 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257016 609522036 /nfs/dbraw/zinc/52/20/36/609522036.db2.gz KFFCHRDNLLDCFW-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257016 609522039 /nfs/dbraw/zinc/52/20/39/609522039.db2.gz KFFCHRDNLLDCFW-UHFFFAOYSA-N -1 3 398.430 2.505 20 30 GFEDHM C#CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC000823839127 609602214 /nfs/dbraw/zinc/60/22/14/609602214.db2.gz ZTAZHTKBXXGEPG-LJQANCHMSA-N -1 3 397.442 2.855 20 30 GFEDHM C#CC[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC000823839127 609602217 /nfs/dbraw/zinc/60/22/17/609602217.db2.gz ZTAZHTKBXXGEPG-LJQANCHMSA-N -1 3 397.442 2.855 20 30 GFEDHM N#Cc1ccc(OCCNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000826385969 660454121 /nfs/dbraw/zinc/45/41/21/660454121.db2.gz JVYXZHGZBMJLKC-UHFFFAOYSA-N -1 3 385.225 2.992 20 30 GFEDHM N#Cc1ccc(OCCNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000826385969 660454122 /nfs/dbraw/zinc/45/41/22/660454122.db2.gz JVYXZHGZBMJLKC-UHFFFAOYSA-N -1 3 385.225 2.992 20 30 GFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000832633461 660791197 /nfs/dbraw/zinc/79/11/97/660791197.db2.gz FCOZKDQBTJVFOW-UHFFFAOYSA-N -1 3 380.235 2.619 20 30 GFEDHM N#CC1([N-]S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000123212308 654753246 /nfs/dbraw/zinc/75/32/46/654753246.db2.gz FOEHGGPBSSPPJW-UHFFFAOYSA-N -1 3 380.061 2.546 20 30 GFEDHM COc1ccc(CNC(=O)C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000064359758 654867131 /nfs/dbraw/zinc/86/71/31/654867131.db2.gz RDKVVZWOBNMHLX-VXLYETTFSA-N -1 3 377.238 2.899 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC)CC(F)(F)F)ccc1F ZINC000760760911 655991319 /nfs/dbraw/zinc/99/13/19/655991319.db2.gz FFXMWASIXOWGLV-LLVKDONJSA-N -1 3 382.379 2.751 20 30 GFEDHM COc1ccc(C=NNS(=O)(=O)Cc2ccccc2)c(Br)c1[O-] ZINC000761014369 655996399 /nfs/dbraw/zinc/99/63/99/655996399.db2.gz XPLVLHSPFBPFMB-UHFFFAOYSA-N -1 3 399.266 2.617 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCC(F)(F)CC2)ccc1F ZINC000761589412 656018588 /nfs/dbraw/zinc/01/85/88/656018588.db2.gz DDDBGLIDQZEZEH-UHFFFAOYSA-N -1 3 376.400 2.598 20 30 GFEDHM O=S(=O)(c1cc(F)ccc1NCc1nc(C(F)(F)F)n[n-]1)C(F)(F)F ZINC000775542558 656648341 /nfs/dbraw/zinc/64/83/41/656648341.db2.gz QIQFZLFNELNEII-UHFFFAOYSA-N -1 3 392.256 2.868 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000781033968 657040459 /nfs/dbraw/zinc/04/04/59/657040459.db2.gz FZUYHDWHSCKFAQ-SNVBAGLBSA-N -1 3 399.881 2.609 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(C)(C)C ZINC000805147339 659751370 /nfs/dbraw/zinc/75/13/70/659751370.db2.gz WGLARANXTXKWLK-CYBMUJFWSA-N -1 3 378.263 2.923 20 30 GFEDHM Cc1cc(SCC(=O)N[C@H]2CCCN([O-])C2=O)c(C)cc1Br ZINC000816752704 660168061 /nfs/dbraw/zinc/16/80/61/660168061.db2.gz MGVWPTFTHFQESN-LBPRGKRZSA-N -1 3 387.299 2.654 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2SC)ccc1F ZINC000844730576 661437289 /nfs/dbraw/zinc/43/72/89/661437289.db2.gz ZQKIBYQOIXFEBI-HUUCEWRRSA-N -1 3 386.514 2.694 20 30 GFEDHM O=C(N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000879386531 662925263 /nfs/dbraw/zinc/92/52/63/662925263.db2.gz LXXDMKAFFNEDNO-GHMZBOCLSA-N -1 3 383.729 2.762 20 30 GFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Oc1c(Cl)cccc1Cl ZINC000897456059 663606142 /nfs/dbraw/zinc/60/61/42/663606142.db2.gz AUNVKBMXCPMWJC-UHFFFAOYSA-N -1 3 385.228 2.638 20 30 GFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)s1 ZINC000907111131 664002883 /nfs/dbraw/zinc/00/28/83/664002883.db2.gz GBNDZECNTFAWCL-ZETCQYMHSA-N -1 3 387.284 2.520 20 30 GFEDHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000908945216 664138268 /nfs/dbraw/zinc/13/82/68/664138268.db2.gz CBRUCKLMMDQCTJ-OAHLLOKOSA-N -1 3 396.285 2.524 20 30 GFEDHM COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000018204573 210216994 /nfs/dbraw/zinc/21/69/94/210216994.db2.gz IFGBVDJQWGRIHV-AWEZNQCLSA-N -1 3 383.448 2.691 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Br)s1 ZINC000156386327 551521900 /nfs/dbraw/zinc/52/19/00/551521900.db2.gz ADTNHLRLSPOXSG-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCN(c2ccccn2)CC1 ZINC000156495667 551523754 /nfs/dbraw/zinc/52/37/54/551523754.db2.gz YDQGUYAVVDQSPG-UHFFFAOYSA-N -1 3 376.869 2.554 20 30 GFEDHM COc1cccc2c1OC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000157187932 551534650 /nfs/dbraw/zinc/53/46/50/551534650.db2.gz PEDYSMHSMOQALP-AWEZNQCLSA-N -1 3 378.837 2.502 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)c1 ZINC000186245297 552382812 /nfs/dbraw/zinc/38/28/12/552382812.db2.gz HNDUULUBEFSXGQ-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188552225 552447715 /nfs/dbraw/zinc/44/77/15/552447715.db2.gz MVGUWANWIJSFFJ-FZMZJTMJSA-N -1 3 396.818 2.974 20 30 GFEDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416453588 563830742 /nfs/dbraw/zinc/83/07/42/563830742.db2.gz RDNHIHJDJQPRSH-ZIAGYGMSSA-N -1 3 387.299 2.803 20 30 GFEDHM COc1ccc(Br)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000320562037 563447074 /nfs/dbraw/zinc/44/70/74/563447074.db2.gz LCFAHVREXXUJND-UHFFFAOYSA-N -1 3 382.239 2.834 20 30 GFEDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1Br ZINC000428246346 563486378 /nfs/dbraw/zinc/48/63/78/563486378.db2.gz YBQDRFBISNNEKB-SNVBAGLBSA-N -1 3 396.266 2.764 20 30 GFEDHM C[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428374281 563488579 /nfs/dbraw/zinc/48/85/79/563488579.db2.gz NVRSILAGMJPBND-NSHDSACASA-N -1 3 380.267 2.625 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@](C)(C#N)CSC ZINC000285122481 563504550 /nfs/dbraw/zinc/50/45/50/563504550.db2.gz PIGACKCKYUQPTH-LBPRGKRZSA-N -1 3 397.291 2.520 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000286827999 563576448 /nfs/dbraw/zinc/57/64/48/563576448.db2.gz JJMFCBDCBLRXGE-UHFFFAOYSA-N -1 3 382.379 2.653 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)c(Cl)c1 ZINC000432277327 563578775 /nfs/dbraw/zinc/57/87/75/563578775.db2.gz OPGZHYLYSBUJLG-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000287731713 563615760 /nfs/dbraw/zinc/61/57/60/563615760.db2.gz HKDFTMUUVGVPFU-VIFPVBQESA-N -1 3 398.286 2.602 20 30 GFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccco1 ZINC000433872392 563621928 /nfs/dbraw/zinc/62/19/28/563621928.db2.gz JIYIVLVKIGKTRZ-CQSZACIVSA-N -1 3 399.266 2.970 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000333233541 563625377 /nfs/dbraw/zinc/62/53/77/563625377.db2.gz YTODEIHKTAGJQJ-CFVMTHIKSA-N -1 3 397.294 2.557 20 30 GFEDHM N#CCC1(CNC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)CC1 ZINC000435226830 563645888 /nfs/dbraw/zinc/64/58/88/563645888.db2.gz PQHIGRGFGBKQRY-UHFFFAOYSA-N -1 3 395.531 2.712 20 30 GFEDHM C[C@@H]([N-]C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC000288540328 563646713 /nfs/dbraw/zinc/64/67/13/563646713.db2.gz YBSGSCSOLRNALR-ZCFIWIBFSA-N -1 3 376.228 2.772 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(SC)cc1 ZINC000435431114 563650497 /nfs/dbraw/zinc/65/04/97/563650497.db2.gz BYVHMBXFDCIVPN-AWEZNQCLSA-N -1 3 396.515 2.924 20 30 GFEDHM Cc1cc(C)c(C#N)c(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000440655422 563746263 /nfs/dbraw/zinc/74/62/63/563746263.db2.gz PHCFKHQAXPIGEL-UHFFFAOYSA-N -1 3 382.848 2.753 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CSC)C2)ccc1F ZINC000292420862 563786216 /nfs/dbraw/zinc/78/62/16/563786216.db2.gz VHEIUHNTZDJESP-ZDUSSCGKSA-N -1 3 386.514 2.505 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccncc1OCC(F)F ZINC000443224461 563796554 /nfs/dbraw/zinc/79/65/54/563796554.db2.gz JEMIEPMIYZXPHN-UHFFFAOYSA-N -1 3 387.795 2.729 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@@H]1COc2ccccc2O1 ZINC000443491068 563806500 /nfs/dbraw/zinc/80/65/00/563806500.db2.gz MSIKSPDIGPDOBB-GFCCVEGCSA-N -1 3 378.837 2.720 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCNc1ncc(Cl)cc1Cl ZINC000443504979 563807547 /nfs/dbraw/zinc/80/75/47/563807547.db2.gz XWUWYUVMDZYVAR-UHFFFAOYSA-N -1 3 389.239 2.790 20 30 GFEDHM C=CCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000293403490 563811585 /nfs/dbraw/zinc/81/15/85/563811585.db2.gz MRBSFLKJTAMLGO-UHFFFAOYSA-N -1 3 386.901 2.992 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCN(C2CCCC2)C1 ZINC000416385926 563821217 /nfs/dbraw/zinc/82/12/17/563821217.db2.gz KBHXBPMRINNXGA-AWEZNQCLSA-N -1 3 398.326 2.616 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)[C@H](O)C(F)(F)F ZINC000444210456 563824240 /nfs/dbraw/zinc/82/42/40/563824240.db2.gz HNMOITQHOFEDSQ-SCZZXKLOSA-N -1 3 383.285 2.825 20 30 GFEDHM Cc1csc(S(=O)(=O)[N-]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000563507675 564194327 /nfs/dbraw/zinc/19/43/27/564194327.db2.gz RFMORMTVZPFAOH-UHFFFAOYSA-N -1 3 377.491 2.992 20 30 GFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472254637 564218029 /nfs/dbraw/zinc/21/80/29/564218029.db2.gz FPWYCOLOEGYAPH-LBPRGKRZSA-N -1 3 377.388 2.745 20 30 GFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000508119910 564254578 /nfs/dbraw/zinc/25/45/78/564254578.db2.gz SDOHGMOZMRCHRG-GFCCVEGCSA-N -1 3 381.292 2.902 20 30 GFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000451385114 564307287 /nfs/dbraw/zinc/30/72/87/564307287.db2.gz QONPSNVWBSJNEH-UHFFFAOYSA-N -1 3 398.653 2.773 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000542754373 564324602 /nfs/dbraw/zinc/32/46/02/564324602.db2.gz VVAMPGYTCHIAGT-CQSZACIVSA-N -1 3 378.416 2.858 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)cc1F ZINC000510678549 564343179 /nfs/dbraw/zinc/34/31/79/564343179.db2.gz FSHDOEXLPKLTRK-SECBINFHSA-N -1 3 384.230 2.894 20 30 GFEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)c(F)c1 ZINC000477462404 564378055 /nfs/dbraw/zinc/37/80/55/564378055.db2.gz LHYFJOMOIGTZFG-CQSZACIVSA-N -1 3 388.848 2.697 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544370250 564383721 /nfs/dbraw/zinc/38/37/21/564383721.db2.gz FDXGOYPPMYYOMB-QMTHXVAHSA-N -1 3 378.263 2.848 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000544370251 564383892 /nfs/dbraw/zinc/38/38/92/564383892.db2.gz FDXGOYPPMYYOMB-YGRLFVJLSA-N -1 3 378.263 2.848 20 30 GFEDHM C=CC[C@@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000545349831 564417926 /nfs/dbraw/zinc/41/79/26/564417926.db2.gz LAXGUXZIICEDON-GFCCVEGCSA-N -1 3 378.491 2.609 20 30 GFEDHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000545350761 564418754 /nfs/dbraw/zinc/41/87/54/564418754.db2.gz ZRSAJKFXOATATN-CQSZACIVSA-N -1 3 398.893 2.726 20 30 GFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000515367508 564476603 /nfs/dbraw/zinc/47/66/03/564476603.db2.gz YPWUKGIAQKNPDX-UHFFFAOYSA-N -1 3 384.626 2.525 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000571603242 564558351 /nfs/dbraw/zinc/55/83/51/564558351.db2.gz GDMWBOJDQFWVJV-MAUKXSAKSA-N -1 3 376.865 2.656 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CC(=O)c2ccccc21 ZINC000550435921 564623963 /nfs/dbraw/zinc/62/39/63/564623963.db2.gz WATOAQAPNLFHFV-AWEZNQCLSA-N -1 3 391.246 2.927 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000577596520 564737212 /nfs/dbraw/zinc/73/72/12/564737212.db2.gz JQAAAYRVXPSLTN-JTQLQIEISA-N -1 3 375.313 2.885 20 30 GFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000492209449 564800692 /nfs/dbraw/zinc/80/06/92/564800692.db2.gz LKHALEJAOHXSAL-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000581503724 564805196 /nfs/dbraw/zinc/80/51/96/564805196.db2.gz ZZRSCZXZDPFCKV-UHFFFAOYSA-N -1 3 396.881 2.921 20 30 GFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(Br)ccc1-n1cncn1 ZINC000581611315 564809760 /nfs/dbraw/zinc/80/97/60/564809760.db2.gz VPESCCAGRCJYRH-UHFFFAOYSA-N -1 3 398.286 2.711 20 30 GFEDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1OC ZINC000556305297 564817736 /nfs/dbraw/zinc/81/77/36/564817736.db2.gz WUFNZFPKCPNGIE-UHFFFAOYSA-N -1 3 386.857 2.640 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO[C@@H]1C1CC1 ZINC000557833866 564879849 /nfs/dbraw/zinc/87/98/49/564879849.db2.gz LYIFTBVROGLVSB-CVEARBPZSA-N -1 3 399.310 2.804 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)ccc1F ZINC000499950636 564941952 /nfs/dbraw/zinc/94/19/52/564941952.db2.gz LQHWCHPCWOPNTH-HNNXBMFYSA-N -1 3 381.816 2.845 20 30 GFEDHM C[C@@]1(c2ccc(CNc3ccc(C#N)cc3Br)cc2)NC(=O)[N-]C1=O ZINC000534144658 564980472 /nfs/dbraw/zinc/98/04/72/564980472.db2.gz QMOJUSKKTPHYAK-SFHVURJKSA-N -1 3 399.248 2.987 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000469327818 565014148 /nfs/dbraw/zinc/01/41/48/565014148.db2.gz MJRVYHOYOVUKSP-LBPRGKRZSA-N -1 3 379.931 2.951 20 30 GFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccco1 ZINC000503860899 565029675 /nfs/dbraw/zinc/02/96/75/565029675.db2.gz WXXVMJSMTKNRFL-CQSZACIVSA-N -1 3 399.266 2.970 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000562521478 565032366 /nfs/dbraw/zinc/03/23/66/565032366.db2.gz WJQCIPAIJBIIIV-PWSUYJOCSA-N -1 3 381.205 2.903 20 30 GFEDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588115530 565125853 /nfs/dbraw/zinc/12/58/53/565125853.db2.gz QKNYRXOWGWDBDW-SECBINFHSA-N -1 3 384.255 2.965 20 30 GFEDHM COc1cc(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c(OC)cc1Br ZINC000614834009 565134484 /nfs/dbraw/zinc/13/44/84/565134484.db2.gz GWHUNNZOFKIFFV-JTQLQIEISA-N -1 3 391.287 2.683 20 30 GFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000617039621 565219448 /nfs/dbraw/zinc/21/94/48/565219448.db2.gz JOPVQZQMFNLZNO-VXGBXAGGSA-N -1 3 376.931 2.931 20 30 GFEDHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593591056 565344688 /nfs/dbraw/zinc/34/46/88/565344688.db2.gz QWYHZSDZEKKJOA-CYBMUJFWSA-N -1 3 398.893 2.726 20 30 GFEDHM COC(=O)c1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000593588946 565345466 /nfs/dbraw/zinc/34/54/66/565345466.db2.gz OYMJUVUVWWWXNU-LBPRGKRZSA-N -1 3 378.372 2.600 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000593622099 565348280 /nfs/dbraw/zinc/34/82/80/565348280.db2.gz BELFUUGKUWIBHL-UHFFFAOYSA-N -1 3 377.344 2.976 20 30 GFEDHM C=CCN(CC=C)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000641953269 565403633 /nfs/dbraw/zinc/40/36/33/565403633.db2.gz ACXXAHWZYAJYDH-UHFFFAOYSA-N -1 3 396.818 2.838 20 30 GFEDHM C=CCCSCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000594815516 565424870 /nfs/dbraw/zinc/42/48/70/565424870.db2.gz UPMFPTSXKXNFDH-UHFFFAOYSA-N -1 3 375.313 2.908 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)cc1 ZINC000594818520 565425062 /nfs/dbraw/zinc/42/50/62/565425062.db2.gz KMNHKPPVOYPBLK-HNNXBMFYSA-N -1 3 376.400 2.868 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2Cc2ccccc2)c(Cl)c1 ZINC000595394649 565472936 /nfs/dbraw/zinc/47/29/36/565472936.db2.gz YJJJHSGVYKYVES-INIZCTEOSA-N -1 3 375.881 2.764 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000599491408 565684144 /nfs/dbraw/zinc/68/41/44/565684144.db2.gz RLQDKDPMPDGPFP-NSHDSACASA-N -1 3 385.873 2.969 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000599491407 565684203 /nfs/dbraw/zinc/68/42/03/565684203.db2.gz RLQDKDPMPDGPFP-LLVKDONJSA-N -1 3 385.873 2.969 20 30 GFEDHM Cn1cc(Br)c(=NC(=O)NCCSCc2ccccc2C#N)[n-]1 ZINC000603042382 565882138 /nfs/dbraw/zinc/88/21/38/565882138.db2.gz GUFOTEDYZBIZGC-UHFFFAOYSA-N -1 3 394.298 2.531 20 30 GFEDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000604277114 565927416 /nfs/dbraw/zinc/92/74/16/565927416.db2.gz JTOLCSFRLFDFGS-RYUDHWBXSA-N -1 3 377.491 2.856 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCNc1ncnc2sccc21 ZINC000611014647 566111078 /nfs/dbraw/zinc/11/10/78/566111078.db2.gz OJXOIVLYBHBRMG-UHFFFAOYSA-N -1 3 393.881 2.607 20 30 GFEDHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000611114360 566115240 /nfs/dbraw/zinc/11/52/40/566115240.db2.gz JPQRCMQBUHQUMT-NSHDSACASA-N -1 3 378.372 2.709 20 30 GFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000611183505 566119357 /nfs/dbraw/zinc/11/93/57/566119357.db2.gz PIGIPWBBRSADIU-VIFPVBQESA-N -1 3 376.232 2.574 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735419534 598874265 /nfs/dbraw/zinc/87/42/65/598874265.db2.gz UPBQJNZKONURPK-UHFFFAOYSA-N -1 3 379.461 2.763 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735419534 598874266 /nfs/dbraw/zinc/87/42/66/598874266.db2.gz UPBQJNZKONURPK-UHFFFAOYSA-N -1 3 379.461 2.763 20 30 GFEDHM CC(C)(C)n1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000735665539 598913495 /nfs/dbraw/zinc/91/34/95/598913495.db2.gz YVHSUKPHYOGVOI-UHFFFAOYSA-N -1 3 376.424 2.820 20 30 GFEDHM CC(C)(C)n1nc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000735665539 598913496 /nfs/dbraw/zinc/91/34/96/598913496.db2.gz YVHSUKPHYOGVOI-UHFFFAOYSA-N -1 3 376.424 2.820 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)ccc1-c1nnn[n-]1 ZINC000737711118 598917454 /nfs/dbraw/zinc/91/74/54/598917454.db2.gz ZRBYYRVBZCXWRB-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)ccc1-c1nn[n-]n1 ZINC000737711118 598917456 /nfs/dbraw/zinc/91/74/56/598917456.db2.gz ZRBYYRVBZCXWRB-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2)n1 ZINC000737256173 598918261 /nfs/dbraw/zinc/91/82/61/598918261.db2.gz LEIOWGJNNHVZII-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2)n1 ZINC000737256173 598918263 /nfs/dbraw/zinc/91/82/63/598918263.db2.gz LEIOWGJNNHVZII-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C/C=C\c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(OC)c1 ZINC000736304551 598918434 /nfs/dbraw/zinc/91/84/34/598918434.db2.gz OBHGNCIQKGPOJM-ARJAWSKDSA-N -1 3 390.403 2.798 20 30 GFEDHM C/C=C\c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(OC)c1 ZINC000736304551 598918435 /nfs/dbraw/zinc/91/84/35/598918435.db2.gz OBHGNCIQKGPOJM-ARJAWSKDSA-N -1 3 390.403 2.798 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nnn[n-]1 ZINC000737718806 598918736 /nfs/dbraw/zinc/91/87/36/598918736.db2.gz NAJSYMAEXPUVMZ-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1-c1nn[n-]n1 ZINC000737718806 598918737 /nfs/dbraw/zinc/91/87/37/598918737.db2.gz NAJSYMAEXPUVMZ-QGZVFWFLSA-N -1 3 390.403 2.548 20 30 GFEDHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737117477 598922654 /nfs/dbraw/zinc/92/26/54/598922654.db2.gz WLGUHRZBDANPHC-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737117477 598922655 /nfs/dbraw/zinc/92/26/55/598922655.db2.gz WLGUHRZBDANPHC-NSHDSACASA-N -1 3 380.433 2.866 20 30 GFEDHM N#CCCCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737688491 598928356 /nfs/dbraw/zinc/92/83/56/598928356.db2.gz UPFQCZMGMXVXMJ-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM N#CCCCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737688491 598928358 /nfs/dbraw/zinc/92/83/58/598928358.db2.gz UPFQCZMGMXVXMJ-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM N#Cc1cnc2ccc(Cl)cc2c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822842466 599049044 /nfs/dbraw/zinc/04/90/44/599049044.db2.gz JRACIOXEXDQQOY-UHFFFAOYSA-N -1 3 391.822 2.853 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cc(C#N)ccc1F ZINC000820033049 599170907 /nfs/dbraw/zinc/17/09/07/599170907.db2.gz RRTFVZKVVMGFPT-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cc(C#N)ccc1F ZINC000820033049 599170910 /nfs/dbraw/zinc/17/09/10/599170910.db2.gz RRTFVZKVVMGFPT-SFHVURJKSA-N -1 3 394.410 2.597 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000735418877 599183638 /nfs/dbraw/zinc/18/36/38/599183638.db2.gz KYHMSAPXXFOSPL-CQSZACIVSA-N -1 3 393.495 2.610 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000735418877 599183641 /nfs/dbraw/zinc/18/36/41/599183641.db2.gz KYHMSAPXXFOSPL-CQSZACIVSA-N -1 3 393.495 2.610 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735374658 599227580 /nfs/dbraw/zinc/22/75/80/599227580.db2.gz LGMYYPPNTQZSHV-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735374658 599227582 /nfs/dbraw/zinc/22/75/82/599227582.db2.gz LGMYYPPNTQZSHV-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737729063 599254095 /nfs/dbraw/zinc/25/40/95/599254095.db2.gz ZHYJLIVVERKYNY-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc(OC)c1O ZINC000737041248 598378301 /nfs/dbraw/zinc/37/83/01/598378301.db2.gz ISDJPMAJQYZNQG-SREVYHEPSA-N -1 3 395.419 2.542 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc(OC)c1O ZINC000737041248 598378303 /nfs/dbraw/zinc/37/83/03/598378303.db2.gz ISDJPMAJQYZNQG-SREVYHEPSA-N -1 3 395.419 2.542 20 30 GFEDHM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1OC ZINC000737129535 598378391 /nfs/dbraw/zinc/37/83/91/598378391.db2.gz KFCDVTWSQWCPDD-MDZDMXLPSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1OC ZINC000737129535 598378393 /nfs/dbraw/zinc/37/83/93/598378393.db2.gz KFCDVTWSQWCPDD-MDZDMXLPSA-N -1 3 379.420 2.836 20 30 GFEDHM CN(CCC#N)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000736793086 598379914 /nfs/dbraw/zinc/37/99/14/598379914.db2.gz WCKIWESAOGUTCA-QGOAFFKASA-N -1 3 399.414 2.561 20 30 GFEDHM CN(CCC#N)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000736793086 598379915 /nfs/dbraw/zinc/37/99/15/598379915.db2.gz WCKIWESAOGUTCA-QGOAFFKASA-N -1 3 399.414 2.561 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735381561 598416889 /nfs/dbraw/zinc/41/68/89/598416889.db2.gz VVPSJBFWTQPDSB-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735381561 598416891 /nfs/dbraw/zinc/41/68/91/598416891.db2.gz VVPSJBFWTQPDSB-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380989 598417038 /nfs/dbraw/zinc/41/70/38/598417038.db2.gz QLCUNLYFZITFBZ-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1cccc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735387606 598421890 /nfs/dbraw/zinc/42/18/90/598421890.db2.gz BJNCTLLBOZPIIX-UHFFFAOYSA-N -1 3 380.429 2.718 20 30 GFEDHM C#CCOc1cccc(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387606 598421891 /nfs/dbraw/zinc/42/18/91/598421891.db2.gz BJNCTLLBOZPIIX-UHFFFAOYSA-N -1 3 380.429 2.718 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737796298 598440142 /nfs/dbraw/zinc/44/01/42/598440142.db2.gz NOEQTIXUSFRHKF-WAPJZHGLSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737796298 598440143 /nfs/dbraw/zinc/44/01/43/598440143.db2.gz NOEQTIXUSFRHKF-WAPJZHGLSA-N -1 3 379.395 2.739 20 30 GFEDHM N#CCOc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737698522 598477029 /nfs/dbraw/zinc/47/70/29/598477029.db2.gz ZUAVDZLEKBEFLU-UHFFFAOYSA-N -1 3 389.419 2.966 20 30 GFEDHM N#CCOc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737698522 598477031 /nfs/dbraw/zinc/47/70/31/598477031.db2.gz ZUAVDZLEKBEFLU-UHFFFAOYSA-N -1 3 389.419 2.966 20 30 GFEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735690129 598549124 /nfs/dbraw/zinc/54/91/24/598549124.db2.gz HIOXIZXZOIBODU-IBGZPJMESA-N -1 3 380.408 2.707 20 30 GFEDHM C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736098351 598576898 /nfs/dbraw/zinc/57/68/98/598576898.db2.gz DKYHBVNRTNGQJP-IFXJQAMLSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736098351 598576900 /nfs/dbraw/zinc/57/69/00/598576900.db2.gz DKYHBVNRTNGQJP-IFXJQAMLSA-N -1 3 387.447 2.585 20 30 GFEDHM N#CC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCOCC1 ZINC000737678720 598582341 /nfs/dbraw/zinc/58/23/41/598582341.db2.gz LZHLUYOIQPLWKK-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM N#CC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCOCC1 ZINC000737678720 598582342 /nfs/dbraw/zinc/58/23/42/598582342.db2.gz LZHLUYOIQPLWKK-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735734825 598584625 /nfs/dbraw/zinc/58/46/25/598584625.db2.gz JXNKNDJIWFCTBH-KRWDZBQOSA-N -1 3 380.383 2.920 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735734825 598584627 /nfs/dbraw/zinc/58/46/27/598584627.db2.gz JXNKNDJIWFCTBH-KRWDZBQOSA-N -1 3 380.383 2.920 20 30 GFEDHM Cc1c(C(=O)C=Cc2c(Cl)nc(Cl)n2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201300 598640648 /nfs/dbraw/zinc/64/06/48/598640648.db2.gz CBNDYQLWZZFYSO-WAYWQWQTSA-N -1 3 392.250 2.859 20 30 GFEDHM Cc1c(C(=O)C=Cc2c(Cl)nc(Cl)n2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201300 598640650 /nfs/dbraw/zinc/64/06/50/598640650.db2.gz CBNDYQLWZZFYSO-WAYWQWQTSA-N -1 3 392.250 2.859 20 30 GFEDHM C=CCSCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735436479 598685763 /nfs/dbraw/zinc/68/57/63/598685763.db2.gz KYELWYYPKBXEFF-UHFFFAOYSA-N -1 3 382.449 2.703 20 30 GFEDHM C=CCSCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735436479 598685765 /nfs/dbraw/zinc/68/57/65/598685765.db2.gz KYELWYYPKBXEFF-UHFFFAOYSA-N -1 3 382.449 2.703 20 30 GFEDHM C=CCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735437093 598821203 /nfs/dbraw/zinc/82/12/03/598821203.db2.gz DOOHHNBXDQVTCV-UHFFFAOYSA-N -1 3 383.383 2.726 20 30 GFEDHM C=CCOCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735437093 598821204 /nfs/dbraw/zinc/82/12/04/598821204.db2.gz DOOHHNBXDQVTCV-UHFFFAOYSA-N -1 3 383.383 2.726 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCc1ccc(O)cc1 ZINC000735418523 599336524 /nfs/dbraw/zinc/33/65/24/599336524.db2.gz GJIPLTSEBOOBAZ-UHFFFAOYSA-N -1 3 392.463 2.903 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCc1ccc(O)cc1 ZINC000735418523 599336529 /nfs/dbraw/zinc/33/65/29/599336529.db2.gz GJIPLTSEBOOBAZ-UHFFFAOYSA-N -1 3 392.463 2.903 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1sccc1C ZINC000819745886 599339349 /nfs/dbraw/zinc/33/93/49/599339349.db2.gz SXFNLPAYAFDLOA-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1sccc1C ZINC000819745886 599339352 /nfs/dbraw/zinc/33/93/52/599339352.db2.gz SXFNLPAYAFDLOA-UHFFFAOYSA-N -1 3 375.479 2.614 20 30 GFEDHM N#Cc1cccc(-c2nnc(Cn3ccc(-c4ccc(-c5nnn[n-]5)cc4)n3)o2)c1 ZINC000822836926 599384816 /nfs/dbraw/zinc/38/48/16/599384816.db2.gz ARCNNEFJMBZIQL-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM N#Cc1cccc(-c2nnc(Cn3ccc(-c4ccc(-c5nn[n-]n5)cc4)n3)o2)c1 ZINC000822836926 599384818 /nfs/dbraw/zinc/38/48/18/599384818.db2.gz ARCNNEFJMBZIQL-UHFFFAOYSA-N -1 3 395.386 2.700 20 30 GFEDHM N#CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCC1 ZINC000737692582 599551969 /nfs/dbraw/zinc/55/19/69/599551969.db2.gz IMELFXNRRUOQMI-UHFFFAOYSA-N -1 3 392.419 2.947 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1-c1nnn[n-]1 ZINC000822829998 599632344 /nfs/dbraw/zinc/63/23/44/599632344.db2.gz SJFXULYMSNGIKI-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1-c1nn[n-]n1 ZINC000822829998 599632345 /nfs/dbraw/zinc/63/23/45/599632345.db2.gz SJFXULYMSNGIKI-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000819744145 599676893 /nfs/dbraw/zinc/67/68/93/599676893.db2.gz XWMAQKUHLDFTDM-KURKYZTESA-N -1 3 396.495 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000819744145 599676894 /nfs/dbraw/zinc/67/68/94/599676894.db2.gz XWMAQKUHLDFTDM-KURKYZTESA-N -1 3 396.495 2.768 20 30 GFEDHM Cc1ccc(C(=O)NC2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)s1 ZINC000738515447 600566654 /nfs/dbraw/zinc/56/66/54/600566654.db2.gz RIQHWYWVKLRFIL-SFHVURJKSA-N -1 3 383.473 2.948 20 30 GFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000739106472 600568436 /nfs/dbraw/zinc/56/84/36/600568436.db2.gz SEACUFMECZRNFR-MSOLQXFVSA-N -1 3 382.395 2.719 20 30 GFEDHM N#Cc1cccc([C@H](NCc2cc3c(c(Br)c2)OCO3)C(=O)[O-])c1 ZINC000833075893 601303649 /nfs/dbraw/zinc/30/36/49/601303649.db2.gz ODPYLHAFRVLSOJ-HNNXBMFYSA-N -1 3 389.205 2.965 20 30 GFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000833074398 601310856 /nfs/dbraw/zinc/31/08/56/601310856.db2.gz XESTUKICZHPJRO-LJQANCHMSA-N -1 3 381.407 2.717 20 30 GFEDHM N#Cc1ccccc1/C=C\C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833075004 601732778 /nfs/dbraw/zinc/73/27/78/601732778.db2.gz IUDRZCNDZNFXKY-DGVDTQEHSA-N -1 3 389.455 2.807 20 30 GFEDHM N#CCc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC000833069022 601740641 /nfs/dbraw/zinc/74/06/41/601740641.db2.gz LCQKOZVBDOGWAQ-QFIPXVFZSA-N -1 3 377.444 2.602 20 30 GFEDHM COc1ccc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1-c1nnn[n-]1 ZINC000826208751 607546091 /nfs/dbraw/zinc/54/60/91/607546091.db2.gz YTWYONUOXYPALA-UHFFFAOYSA-N -1 3 392.806 2.764 20 30 GFEDHM COc1ccc(Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)cc1-c1nn[n-]n1 ZINC000826208751 607546093 /nfs/dbraw/zinc/54/60/93/607546093.db2.gz YTWYONUOXYPALA-UHFFFAOYSA-N -1 3 392.806 2.764 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)CC1 ZINC000738485245 602678578 /nfs/dbraw/zinc/67/85/78/602678578.db2.gz GSVLIUWSFWNMRE-GOSISDBHSA-N -1 3 378.517 2.591 20 30 GFEDHM Cc1csc(=NCCc2ccccn2)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826320383 607634085 /nfs/dbraw/zinc/63/40/85/607634085.db2.gz OPUDUMMQASIHQS-UHFFFAOYSA-N -1 3 396.505 2.520 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826256917 607651029 /nfs/dbraw/zinc/65/10/29/607651029.db2.gz GIKLQVJREXLESH-UHFFFAOYSA-N -1 3 378.461 2.710 20 30 GFEDHM Cc1cc(C#N)ccc1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826256917 607651031 /nfs/dbraw/zinc/65/10/31/607651031.db2.gz GIKLQVJREXLESH-UHFFFAOYSA-N -1 3 378.461 2.710 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829134976 604222089 /nfs/dbraw/zinc/22/20/89/604222089.db2.gz NLDONTIUMBEUGM-GRYCIOLGSA-N -1 3 393.827 2.741 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000826379878 607722591 /nfs/dbraw/zinc/72/25/91/607722591.db2.gz FYULZXHSMSQZSV-IBGZPJMESA-N -1 3 399.414 2.768 20 30 GFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000826379878 607722593 /nfs/dbraw/zinc/72/25/93/607722593.db2.gz FYULZXHSMSQZSV-IBGZPJMESA-N -1 3 399.414 2.768 20 30 GFEDHM CC(C)(C#N)CCCN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000819892110 606110344 /nfs/dbraw/zinc/11/03/44/606110344.db2.gz VCYWTYCTFWJGAL-UHFFFAOYSA-N -1 3 396.455 2.567 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822800937 606299999 /nfs/dbraw/zinc/29/99/99/606299999.db2.gz BDVGKRHYGITUII-IEBWSBKVSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822800937 606300001 /nfs/dbraw/zinc/30/00/01/606300001.db2.gz BDVGKRHYGITUII-IEBWSBKVSA-N -1 3 388.431 2.868 20 30 GFEDHM N#Cc1ccc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(F)c1 ZINC000822833213 606312937 /nfs/dbraw/zinc/31/29/37/606312937.db2.gz MITXYXYGBDGVHS-ZDUSSCGKSA-N -1 3 386.437 2.837 20 30 GFEDHM N#Cc1ccc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(F)c1 ZINC000822833213 606312938 /nfs/dbraw/zinc/31/29/38/606312938.db2.gz MITXYXYGBDGVHS-ZDUSSCGKSA-N -1 3 386.437 2.837 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924059 606391509 /nfs/dbraw/zinc/39/15/09/606391509.db2.gz WIPJGZVBXFLBAR-ALCCZGGFSA-N -1 3 381.461 2.785 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822801958 606447279 /nfs/dbraw/zinc/44/72/79/606447279.db2.gz SGPXMGNELISPOH-QZTJIDSGSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822801958 606447281 /nfs/dbraw/zinc/44/72/81/606447281.db2.gz SGPXMGNELISPOH-QZTJIDSGSA-N -1 3 388.431 2.544 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2cc(C#N)cs2)c(-c2nnn[n-]2)c1C ZINC000821346527 606478261 /nfs/dbraw/zinc/47/82/61/606478261.db2.gz LBEBHTNOMLJUHN-UHFFFAOYSA-N -1 3 388.434 2.599 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2cc(C#N)cs2)c(-c2nn[n-]n2)c1C ZINC000821346527 606478263 /nfs/dbraw/zinc/47/82/63/606478263.db2.gz LBEBHTNOMLJUHN-UHFFFAOYSA-N -1 3 388.434 2.599 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000822842677 606481518 /nfs/dbraw/zinc/48/15/18/606481518.db2.gz TVLPCYIIWAHJHL-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000822842677 606481520 /nfs/dbraw/zinc/48/15/20/606481520.db2.gz TVLPCYIIWAHJHL-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM N#Cc1cn(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c2ccccc2c1=O ZINC000822842759 606591578 /nfs/dbraw/zinc/59/15/78/606591578.db2.gz XIPLTCQORWBFRW-UHFFFAOYSA-N -1 3 394.341 2.703 20 30 GFEDHM N#Cc1cn(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)c2ccccc2c1=O ZINC000822842759 606591580 /nfs/dbraw/zinc/59/15/80/606591580.db2.gz XIPLTCQORWBFRW-UHFFFAOYSA-N -1 3 394.341 2.703 20 30 GFEDHM CC(N=Nc1nc(Br)cn2ccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000819782813 606623219 /nfs/dbraw/zinc/62/32/19/606623219.db2.gz PUSQJAUDNZBWKM-UHFFFAOYSA-N -1 3 398.228 2.508 20 30 GFEDHM CC(N=Nc1nc(Br)cn2ccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782813 606623221 /nfs/dbraw/zinc/62/32/21/606623221.db2.gz PUSQJAUDNZBWKM-UHFFFAOYSA-N -1 3 398.228 2.508 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819744155 606673161 /nfs/dbraw/zinc/67/31/61/606673161.db2.gz YCTMTQVQIOILID-UHFFFAOYSA-N -1 3 385.374 2.982 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819744155 606673162 /nfs/dbraw/zinc/67/31/62/606673162.db2.gz YCTMTQVQIOILID-UHFFFAOYSA-N -1 3 385.374 2.982 20 30 GFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000821612030 606771838 /nfs/dbraw/zinc/77/18/38/606771838.db2.gz FQXPAPOPRKSOLH-UHFFFAOYSA-N -1 3 381.371 2.572 20 30 GFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000821612030 606771839 /nfs/dbraw/zinc/77/18/39/606771839.db2.gz FQXPAPOPRKSOLH-UHFFFAOYSA-N -1 3 381.371 2.572 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822837330 606945293 /nfs/dbraw/zinc/94/52/93/606945293.db2.gz KBTAZWPYMGRHFX-MDZDMXLPSA-N -1 3 375.388 2.764 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822837330 606945296 /nfs/dbraw/zinc/94/52/96/606945296.db2.gz KBTAZWPYMGRHFX-MDZDMXLPSA-N -1 3 375.388 2.764 20 30 GFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000821588561 606977267 /nfs/dbraw/zinc/97/72/67/606977267.db2.gz YONUMAIMDKMNMO-ALCCZGGFSA-N -1 3 377.383 2.616 20 30 GFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821588561 606977269 /nfs/dbraw/zinc/97/72/69/606977269.db2.gz YONUMAIMDKMNMO-ALCCZGGFSA-N -1 3 377.383 2.616 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(OC)cc1F ZINC000819745634 606986355 /nfs/dbraw/zinc/98/63/55/606986355.db2.gz NCWMJTKABMTVOR-UHFFFAOYSA-N -1 3 396.426 2.912 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(OC)cc1F ZINC000819745634 606986357 /nfs/dbraw/zinc/98/63/57/606986357.db2.gz NCWMJTKABMTVOR-UHFFFAOYSA-N -1 3 396.426 2.912 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1OC ZINC000819759069 607076714 /nfs/dbraw/zinc/07/67/14/607076714.db2.gz NGQHNXDSEFQCQY-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1OC ZINC000819759069 607076716 /nfs/dbraw/zinc/07/67/16/607076716.db2.gz NGQHNXDSEFQCQY-UHFFFAOYSA-N -1 3 384.367 2.936 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821309321 607099792 /nfs/dbraw/zinc/09/97/92/607099792.db2.gz MOODODFFGIUUIK-GFCCVEGCSA-N -1 3 377.408 2.576 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821309321 607099794 /nfs/dbraw/zinc/09/97/94/607099794.db2.gz MOODODFFGIUUIK-GFCCVEGCSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(OCC#N)cc1 ZINC000820005629 607117707 /nfs/dbraw/zinc/11/77/07/607117707.db2.gz ULGPLHCQCLXJHF-UHFFFAOYSA-N -1 3 393.403 2.670 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(OCC#N)cc1 ZINC000820005629 607117710 /nfs/dbraw/zinc/11/77/10/607117710.db2.gz ULGPLHCQCLXJHF-UHFFFAOYSA-N -1 3 393.403 2.670 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOc1ccccc1C#N ZINC000820005679 607118053 /nfs/dbraw/zinc/11/80/53/607118053.db2.gz WBHPDXPVTCFISA-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOc1ccccc1C#N ZINC000820005679 607118054 /nfs/dbraw/zinc/11/80/54/607118054.db2.gz WBHPDXPVTCFISA-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM N#Cc1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(Cl)c1 ZINC000822829715 607124113 /nfs/dbraw/zinc/12/41/13/607124113.db2.gz FQMHNVCFMGLXOO-MRXNPFEDSA-N -1 3 379.811 2.609 20 30 GFEDHM N#Cc1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(Cl)c1 ZINC000822829715 607124114 /nfs/dbraw/zinc/12/41/14/607124114.db2.gz FQMHNVCFMGLXOO-MRXNPFEDSA-N -1 3 379.811 2.609 20 30 GFEDHM CC(C)Cc1nc(C#N)c(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)o1 ZINC000820107937 607148240 /nfs/dbraw/zinc/14/82/40/607148240.db2.gz DMSRQIDETXWLNC-UHFFFAOYSA-N -1 3 375.396 2.852 20 30 GFEDHM CC(C)Cc1nc(C#N)c(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)o1 ZINC000820107937 607148242 /nfs/dbraw/zinc/14/82/42/607148242.db2.gz DMSRQIDETXWLNC-UHFFFAOYSA-N -1 3 375.396 2.852 20 30 GFEDHM CCOc1cc(C#N)ccc1OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825615716 607890023 /nfs/dbraw/zinc/89/00/23/607890023.db2.gz IGUKMVKMIBMARS-UHFFFAOYSA-N -1 3 379.376 2.503 20 30 GFEDHM CCOc1cc(C#N)ccc1OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825615716 607890024 /nfs/dbraw/zinc/89/00/24/607890024.db2.gz IGUKMVKMIBMARS-UHFFFAOYSA-N -1 3 379.376 2.503 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000826400724 607916045 /nfs/dbraw/zinc/91/60/45/607916045.db2.gz GKLDZWSBEUOLCQ-KXFIGUGUSA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000826400724 607916046 /nfs/dbraw/zinc/91/60/46/607916046.db2.gz GKLDZWSBEUOLCQ-KXFIGUGUSA-N -1 3 397.385 2.878 20 30 GFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)OCC ZINC000823872764 607920003 /nfs/dbraw/zinc/92/00/03/607920003.db2.gz DGDCDYYXQZNXMM-CYBMUJFWSA-N -1 3 382.367 2.883 20 30 GFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)OCC ZINC000823872764 607920004 /nfs/dbraw/zinc/92/00/04/607920004.db2.gz DGDCDYYXQZNXMM-CYBMUJFWSA-N -1 3 382.367 2.883 20 30 GFEDHM COc1cc(C=CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)ccc1OCC#N ZINC000826179121 608078657 /nfs/dbraw/zinc/07/86/57/608078657.db2.gz ZXRUSZDZLRAEON-WEVVVXLNSA-N -1 3 391.387 2.534 20 30 GFEDHM COc1cc(C=CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)ccc1OCC#N ZINC000826179121 608078658 /nfs/dbraw/zinc/07/86/58/608078658.db2.gz ZXRUSZDZLRAEON-WEVVVXLNSA-N -1 3 391.387 2.534 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826332181 608308994 /nfs/dbraw/zinc/30/89/94/608308994.db2.gz MBYGIKFFLDABFF-UHFFFAOYSA-N -1 3 384.447 2.865 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826332181 608308996 /nfs/dbraw/zinc/30/89/96/608308996.db2.gz MBYGIKFFLDABFF-UHFFFAOYSA-N -1 3 384.447 2.865 20 30 GFEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)OCCO2 ZINC000825028854 608535671 /nfs/dbraw/zinc/53/56/71/608535671.db2.gz KUGPYAWVPKSQEA-UHFFFAOYSA-N -1 3 385.815 2.913 20 30 GFEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)OCCO2 ZINC000825028854 608535672 /nfs/dbraw/zinc/53/56/72/608535672.db2.gz KUGPYAWVPKSQEA-UHFFFAOYSA-N -1 3 385.815 2.913 20 30 GFEDHM Cc1ccc(C#N)c(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826281043 608558246 /nfs/dbraw/zinc/55/82/46/608558246.db2.gz AQKIJEARKPKQNZ-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM Cc1ccc(C#N)c(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826281043 608558247 /nfs/dbraw/zinc/55/82/47/608558247.db2.gz AQKIJEARKPKQNZ-UHFFFAOYSA-N -1 3 376.424 2.639 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1[N+](=O)[O-] ZINC000826178603 608879444 /nfs/dbraw/zinc/87/94/44/608879444.db2.gz DZTSWFVPHYNOOO-MDWZMJQESA-N -1 3 377.360 2.996 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1[N+](=O)[O-] ZINC000826178603 608879446 /nfs/dbraw/zinc/87/94/46/608879446.db2.gz DZTSWFVPHYNOOO-MDWZMJQESA-N -1 3 377.360 2.996 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824135840 609226210 /nfs/dbraw/zinc/22/62/10/609226210.db2.gz IZKFOKWCPCAFEI-QZTJIDSGSA-N -1 3 390.447 2.579 20 30 GFEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135840 609226211 /nfs/dbraw/zinc/22/62/11/609226211.db2.gz IZKFOKWCPCAFEI-QZTJIDSGSA-N -1 3 390.447 2.579 20 30 GFEDHM CC(=NNc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962127 609277088 /nfs/dbraw/zinc/27/70/88/609277088.db2.gz FWYUKKITXNGULQ-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM CC(=NNc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962127 609277090 /nfs/dbraw/zinc/27/70/90/609277090.db2.gz FWYUKKITXNGULQ-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000823974747 609405626 /nfs/dbraw/zinc/40/56/26/609405626.db2.gz RDXXXVDZDAZHBH-PXNMLYILSA-N -1 3 377.379 2.634 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000823974747 609405628 /nfs/dbraw/zinc/40/56/28/609405628.db2.gz RDXXXVDZDAZHBH-PXNMLYILSA-N -1 3 377.379 2.634 20 30 GFEDHM Cn1cc(CNc2cccc(OCC#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362245 609474966 /nfs/dbraw/zinc/47/49/66/609474966.db2.gz JUDWSVCNIHSGTO-UHFFFAOYSA-N -1 3 386.419 2.782 20 30 GFEDHM Cn1cc(CNc2cccc(OCC#N)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362245 609474967 /nfs/dbraw/zinc/47/49/67/609474967.db2.gz JUDWSVCNIHSGTO-UHFFFAOYSA-N -1 3 386.419 2.782 20 30 GFEDHM C[C@@H]1C[C@@H](NN=Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824892242 609518674 /nfs/dbraw/zinc/51/86/74/609518674.db2.gz FUPNMMAWLDXFBJ-BEFAXECRSA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@@H]1C[C@@H](NN=Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000824892242 609518675 /nfs/dbraw/zinc/51/86/75/609518675.db2.gz FUPNMMAWLDXFBJ-BEFAXECRSA-N -1 3 392.463 2.937 20 30 GFEDHM C#CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823837388 609561839 /nfs/dbraw/zinc/56/18/39/609561839.db2.gz CUCNNUDBBIDTFF-HNNXBMFYSA-N -1 3 387.852 2.563 20 30 GFEDHM C#CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823837388 609561841 /nfs/dbraw/zinc/56/18/41/609561841.db2.gz CUCNNUDBBIDTFF-HNNXBMFYSA-N -1 3 387.852 2.563 20 30 GFEDHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)nn1-c1cccc(C#N)c1 ZINC000826242282 609579502 /nfs/dbraw/zinc/57/95/02/609579502.db2.gz IJCGBIQZINPMRH-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)nn1-c1cccc(C#N)c1 ZINC000826242282 609579504 /nfs/dbraw/zinc/57/95/04/609579504.db2.gz IJCGBIQZINPMRH-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000820476027 660294875 /nfs/dbraw/zinc/29/48/75/660294875.db2.gz FXASFHQQSMPUNA-CYBMUJFWSA-N -1 3 383.235 2.598 20 30 GFEDHM C=C(Cl)CNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823883037 660382435 /nfs/dbraw/zinc/38/24/35/660382435.db2.gz IZZCBEUOAJIIMQ-UHFFFAOYSA-N -1 3 379.211 2.580 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000831993903 660743697 /nfs/dbraw/zinc/74/36/97/660743697.db2.gz XWYZMFGZJODJKY-UWVGGRQHSA-N -1 3 388.243 2.718 20 30 GFEDHM COCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000835066218 660839978 /nfs/dbraw/zinc/83/99/78/660839978.db2.gz WYNCSKQRUAGGOX-LBPRGKRZSA-N -1 3 381.219 2.834 20 30 GFEDHM C=CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000837048584 660967514 /nfs/dbraw/zinc/96/75/14/660967514.db2.gz UYBHOZNJUARDEA-ZDUSSCGKSA-N -1 3 381.270 2.844 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCC(F)(F)C2)ccc1F ZINC000837415826 660994922 /nfs/dbraw/zinc/99/49/22/660994922.db2.gz YXYDHGGGFQJWFA-NSHDSACASA-N -1 3 377.384 2.882 20 30 GFEDHM C[C@H](CC(=O)OCCSC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744130133 655735446 /nfs/dbraw/zinc/73/54/46/655735446.db2.gz JNPJKPVVMYILBT-GFCCVEGCSA-N -1 3 384.523 2.579 20 30 GFEDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C#N ZINC000746680139 655766466 /nfs/dbraw/zinc/76/64/66/655766466.db2.gz GBYKVTBXVJQMOV-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000762673192 656054738 /nfs/dbraw/zinc/05/47/38/656054738.db2.gz QWQABWLMBJMJRQ-INMHGKMJSA-N -1 3 377.535 2.704 20 30 GFEDHM C=C(Br)COC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000783137439 657210584 /nfs/dbraw/zinc/21/05/84/657210584.db2.gz CMIYAGUJBRGAMF-UHFFFAOYSA-N -1 3 392.271 2.667 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccc(Cl)cc1F ZINC000796086939 658888485 /nfs/dbraw/zinc/88/84/85/658888485.db2.gz OFTLHKWAGQAICN-GFCCVEGCSA-N -1 3 387.841 2.980 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)c1ccc(Cl)cc1 ZINC000810100740 659961912 /nfs/dbraw/zinc/96/19/12/659961912.db2.gz RPYKLPPMYCKBKB-LBPRGKRZSA-N -1 3 399.255 2.828 20 30 GFEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1cc(Cl)cc(Cl)c1 ZINC000811035127 659995432 /nfs/dbraw/zinc/99/54/32/659995432.db2.gz CRNTWNFMDNJZQX-UHFFFAOYSA-N -1 3 399.255 2.775 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000815044917 660106719 /nfs/dbraw/zinc/10/67/19/660106719.db2.gz KBNUIPXDZHDOLK-NSHDSACASA-N -1 3 395.765 2.884 20 30 GFEDHM C=C(C)CO[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846538623 661555433 /nfs/dbraw/zinc/55/54/33/661555433.db2.gz KJRZRGHLZDBKAF-CYBMUJFWSA-N -1 3 386.235 2.822 20 30 GFEDHM C=CCC1(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CCCC1 ZINC000855927154 662012644 /nfs/dbraw/zinc/01/26/44/662012644.db2.gz DWZDNVHSHPHTLW-CYBMUJFWSA-N -1 3 385.917 2.797 20 30 GFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000859423863 662161594 /nfs/dbraw/zinc/16/15/94/662161594.db2.gz ACVRCJUANNICQF-LLVKDONJSA-N -1 3 378.263 2.603 20 30 GFEDHM O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]12)N([O-])Cc1ccccc1Cl ZINC000904190188 663827396 /nfs/dbraw/zinc/82/73/96/663827396.db2.gz JRSFXYZDZZWTQF-FMKPAKJESA-N -1 3 383.901 2.784 20 30 GFEDHM C=CCCCCC[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907268037 664017451 /nfs/dbraw/zinc/01/74/51/664017451.db2.gz OUCNZWFEQOARNQ-UHFFFAOYSA-N -1 3 393.278 2.712 20 30 GFEDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000920482465 664526743 /nfs/dbraw/zinc/52/67/43/664526743.db2.gz PPJVNMUKSSSFAL-UHFFFAOYSA-N -1 3 379.463 2.511 20 30 GFEDHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C#N)cc1Br ZINC000126915800 551334366 /nfs/dbraw/zinc/33/43/66/551334366.db2.gz RZQLTEPETNJVCS-ZETCQYMHSA-N -1 3 396.104 2.958 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000127251242 551338953 /nfs/dbraw/zinc/33/89/53/551338953.db2.gz BUKWTKXFQNEFTA-UHFFFAOYSA-N -1 3 385.214 2.644 20 30 GFEDHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157643705 551540482 /nfs/dbraw/zinc/54/04/82/551540482.db2.gz UMRNGTAIOZHSBR-WFASDCNBSA-N -1 3 383.901 2.573 20 30 GFEDHM N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000164763531 551627103 /nfs/dbraw/zinc/62/71/03/551627103.db2.gz ZWZZOUQBADZEIJ-UHFFFAOYSA-N -1 3 399.241 2.785 20 30 GFEDHM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)(C(N)=O)c1cccc(Cl)c1 ZINC000180098934 552213229 /nfs/dbraw/zinc/21/32/29/552213229.db2.gz XMBADMPPFOHMQM-INIZCTEOSA-N -1 3 398.271 2.544 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000186065226 552377968 /nfs/dbraw/zinc/37/79/68/552377968.db2.gz IGHZMPXKBKNIEX-OAHLLOKOSA-N -1 3 379.869 2.920 20 30 GFEDHM C=CCC[C@@H](C(=O)NCC[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000188740216 552454074 /nfs/dbraw/zinc/45/40/74/552454074.db2.gz GBPOVQGCHNTJHT-MRXNPFEDSA-N -1 3 378.519 2.893 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295586980 563254880 /nfs/dbraw/zinc/25/48/80/563254880.db2.gz BHBQYIZFMYMCSS-UHFFFAOYSA-N -1 3 394.280 2.830 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000280707123 563350587 /nfs/dbraw/zinc/35/05/87/563350587.db2.gz HIWOZXJIZOLPLX-ABAIWWIYSA-N -1 3 390.299 2.717 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425126731 563405446 /nfs/dbraw/zinc/40/54/46/563405446.db2.gz ICIJZRCFXHVBLL-OLZOCXBDSA-N -1 3 377.491 2.506 20 30 GFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000425137416 563406210 /nfs/dbraw/zinc/40/62/10/563406210.db2.gz XQANVJRSLVRRPD-NSHDSACASA-N -1 3 397.909 2.771 20 30 GFEDHM Cc1cc(C)nc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC000329324230 563478163 /nfs/dbraw/zinc/47/81/63/563478163.db2.gz SHWRGNVAPJRTDQ-UHFFFAOYSA-N -1 3 380.495 2.966 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1Cl ZINC000428269992 563486804 /nfs/dbraw/zinc/48/68/04/563486804.db2.gz XVSKDENWAGQFMP-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]Cc1noc(-c2ccc(Cl)cc2F)n1 ZINC000377886750 563490299 /nfs/dbraw/zinc/49/02/99/563490299.db2.gz ARHCEHDTZSMREP-UHFFFAOYSA-N -1 3 386.836 2.888 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CCOCC1 ZINC000330660246 563516306 /nfs/dbraw/zinc/51/63/06/563516306.db2.gz BJURZFRZBYTEOU-CQSZACIVSA-N -1 3 387.299 2.804 20 30 GFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)cn2C)n1 ZINC000434567170 563632600 /nfs/dbraw/zinc/63/26/00/563632600.db2.gz PLBTUTRUMVCKHD-SECBINFHSA-N -1 3 382.239 2.911 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(C(F)(F)F)cc2)s1 ZINC000435434211 563650489 /nfs/dbraw/zinc/65/04/89/563650489.db2.gz WPUCYVPWHVGGNZ-UHFFFAOYSA-N -1 3 376.381 2.996 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435581590 563653642 /nfs/dbraw/zinc/65/36/42/563653642.db2.gz WOBKYPLCZPWTPF-YGRLFVJLSA-N -1 3 378.263 2.848 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1COc2ccccc2O1 ZINC000443489916 563806766 /nfs/dbraw/zinc/80/67/66/563806766.db2.gz KJOWLWOBAUFADF-AWEZNQCLSA-N -1 3 378.837 2.720 20 30 GFEDHM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)NCC(F)F ZINC000444347931 563829310 /nfs/dbraw/zinc/82/93/10/563829310.db2.gz ZKWWQGWATUMHBP-SECBINFHSA-N -1 3 378.219 2.806 20 30 GFEDHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 ZINC000416452405 563830776 /nfs/dbraw/zinc/83/07/76/563830776.db2.gz CKYIGTGZGSGFNH-RYUDHWBXSA-N -1 3 387.299 2.804 20 30 GFEDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1C ZINC000416521475 563841997 /nfs/dbraw/zinc/84/19/97/563841997.db2.gz YRHIODPSHPNLCU-INIZCTEOSA-N -1 3 378.881 2.710 20 30 GFEDHM N#Cc1cccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1F ZINC000538098016 564182642 /nfs/dbraw/zinc/18/26/42/564182642.db2.gz XVGSWKKRBIPASS-UHFFFAOYSA-N -1 3 379.482 2.702 20 30 GFEDHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(C#N)ccc2Cl)s1 ZINC000507788350 564243644 /nfs/dbraw/zinc/24/36/44/564243644.db2.gz MFZDMEFCUVZLGZ-UHFFFAOYSA-N -1 3 382.854 2.971 20 30 GFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000451803080 564353127 /nfs/dbraw/zinc/35/31/27/564353127.db2.gz OQUGDSXTKQZYJU-UHFFFAOYSA-N -1 3 376.272 2.870 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000571603243 564558073 /nfs/dbraw/zinc/55/80/73/564558073.db2.gz GDMWBOJDQFWVJV-QAPCUYQASA-N -1 3 376.865 2.656 20 30 GFEDHM C[C@](C#N)(NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000572513532 564597756 /nfs/dbraw/zinc/59/77/56/564597756.db2.gz SMHRBOXZOHZMFF-OAHLLOKOSA-N -1 3 389.930 2.659 20 30 GFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccnc1 ZINC000549863383 564606984 /nfs/dbraw/zinc/60/69/84/564606984.db2.gz CSECSDZSYBZSPX-INIZCTEOSA-N -1 3 379.869 2.645 20 30 GFEDHM CCOc1ccccc1[C@@](N)(C(=O)[N-]CC(F)(F)C(F)F)C(F)(F)F ZINC000485456475 564615742 /nfs/dbraw/zinc/61/57/42/564615742.db2.gz SNLRNIXBXFKZCC-CYBMUJFWSA-N -1 3 376.272 2.818 20 30 GFEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000553499834 564723016 /nfs/dbraw/zinc/72/30/16/564723016.db2.gz PFZQCZNNMRTHBB-GJZGRUSLSA-N -1 3 399.310 2.947 20 30 GFEDHM C=CCCCNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000553800967 564737080 /nfs/dbraw/zinc/73/70/80/564737080.db2.gz VELRZEVMKXASPP-UHFFFAOYSA-N -1 3 380.297 2.537 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000553818891 564737921 /nfs/dbraw/zinc/73/79/21/564737921.db2.gz HZAMWSRUALRYMR-UHFFFAOYSA-N -1 3 393.262 2.734 20 30 GFEDHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553839071 564739655 /nfs/dbraw/zinc/73/96/55/564739655.db2.gz GZQVFKXFBMIMJC-HNNXBMFYSA-N -1 3 389.315 2.786 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1cncc(Br)c1)C1CC1 ZINC000556353845 564820551 /nfs/dbraw/zinc/82/05/51/564820551.db2.gz DGUPUPUBCJWGRK-HNNXBMFYSA-N -1 3 393.266 2.540 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)Nc3ccccc3)CC2)c(Cl)c1 ZINC000494593558 564835363 /nfs/dbraw/zinc/83/53/63/564835363.db2.gz FOJUMBPQJAWDTF-UHFFFAOYSA-N -1 3 375.837 2.661 20 30 GFEDHM CCOC(=O)c1c(C)c(C(=O)NC)sc1[N-]C(=O)c1sccc1C#N ZINC000497984520 564883634 /nfs/dbraw/zinc/88/36/34/564883634.db2.gz YIKQNCUUAUWDQO-UHFFFAOYSA-N -1 3 377.447 2.778 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CSCCN2Cc2ccccc2)s1 ZINC000584151037 564922999 /nfs/dbraw/zinc/92/29/99/564922999.db2.gz ZXPFQKOZLGKMDN-HNNXBMFYSA-N -1 3 393.559 2.516 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2COc3ccccc3O2)c(Cl)c1 ZINC000503854164 565029346 /nfs/dbraw/zinc/02/93/46/565029346.db2.gz JKPNNSKWKMHELH-CYBMUJFWSA-N -1 3 378.837 2.720 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccs1 ZINC000613906049 565085461 /nfs/dbraw/zinc/08/54/61/565085461.db2.gz IKTNQZVZYLTRIV-LBPRGKRZSA-N -1 3 384.866 2.856 20 30 GFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000591325747 565223959 /nfs/dbraw/zinc/22/39/59/565223959.db2.gz ZZWNUPRUQRWMMZ-CFVMTHIKSA-N -1 3 399.310 2.803 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NCc1cccs1 ZINC000592079726 565254139 /nfs/dbraw/zinc/25/41/39/565254139.db2.gz DYNVRJFURVLJAC-CQSZACIVSA-N -1 3 397.909 2.646 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCCO2 ZINC000593538378 565338923 /nfs/dbraw/zinc/33/89/23/565338923.db2.gz MFGYQSRXOLPHAG-UHFFFAOYSA-N -1 3 378.475 2.647 20 30 GFEDHM COc1cccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccsc3C#N)C2)c1 ZINC000593546000 565340046 /nfs/dbraw/zinc/34/00/46/565340046.db2.gz AYRXNCCCYDJACC-ZDUSSCGKSA-N -1 3 377.491 2.576 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccsc2C#N)c(Cl)c1OC ZINC000593601897 565346488 /nfs/dbraw/zinc/34/64/88/565346488.db2.gz YXARHQYWIPMKJS-UHFFFAOYSA-N -1 3 386.882 2.811 20 30 GFEDHM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(C)C ZINC000594777157 565419392 /nfs/dbraw/zinc/41/93/92/565419392.db2.gz VIQHRXWYVXVWPE-HNNXBMFYSA-N -1 3 379.507 2.520 20 30 GFEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000594797566 565422140 /nfs/dbraw/zinc/42/21/40/565422140.db2.gz VJQIRCUOKWZJKU-UHFFFAOYSA-N -1 3 391.262 2.959 20 30 GFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000594815598 565424878 /nfs/dbraw/zinc/42/48/78/565424878.db2.gz YELIJNXQDJDFCL-UHFFFAOYSA-N -1 3 375.313 2.908 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000594859221 565431369 /nfs/dbraw/zinc/43/13/69/565431369.db2.gz CPGBAYGXNRARAZ-CZUORRHYSA-N -1 3 378.885 2.635 20 30 GFEDHM C[C@]1(C#N)CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000598414762 565614907 /nfs/dbraw/zinc/61/49/07/565614907.db2.gz FUASUTNREYDJID-MRXNPFEDSA-N -1 3 395.531 2.664 20 30 GFEDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ncc(Br)cc1C#N ZINC000599090458 565656822 /nfs/dbraw/zinc/65/68/22/565656822.db2.gz KZFWDUZDNVCREH-UHFFFAOYSA-N -1 3 377.242 2.644 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3F)C2)s1 ZINC000599489620 565684407 /nfs/dbraw/zinc/68/44/07/565684407.db2.gz DBFDSDKSDXKDQJ-NSHDSACASA-N -1 3 385.873 2.969 20 30 GFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@](C)(C#N)CSC ZINC000600667084 565742980 /nfs/dbraw/zinc/74/29/80/565742980.db2.gz SFLVKQOYFNYVMM-LBPRGKRZSA-N -1 3 384.401 2.517 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1cccnc1 ZINC000603375659 565901533 /nfs/dbraw/zinc/90/15/33/565901533.db2.gz KHQQGBNSVABROR-STQMWFEESA-N -1 3 392.278 2.798 20 30 GFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000604277113 565927037 /nfs/dbraw/zinc/92/70/37/565927037.db2.gz JTOLCSFRLFDFGS-NWDGAFQWSA-N -1 3 377.491 2.856 20 30 GFEDHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611017154 566111644 /nfs/dbraw/zinc/11/16/44/566111644.db2.gz WLNFFRGBWIPTOA-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000611183504 566119281 /nfs/dbraw/zinc/11/92/81/566119281.db2.gz PIGIPWBBRSADIU-SECBINFHSA-N -1 3 376.232 2.574 20 30 GFEDHM N#Cc1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000737709392 598919147 /nfs/dbraw/zinc/91/91/47/598919147.db2.gz NSTKINAJFZNHAP-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000737709392 598919149 /nfs/dbraw/zinc/91/91/49/598919149.db2.gz NSTKINAJFZNHAP-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000737071373 598919879 /nfs/dbraw/zinc/91/98/79/598919879.db2.gz INEXRULVKSFYNP-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000737071373 598919880 /nfs/dbraw/zinc/91/98/80/598919880.db2.gz INEXRULVKSFYNP-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(C(C)C)no1 ZINC000735420761 598923900 /nfs/dbraw/zinc/92/39/00/598923900.db2.gz STKCZZFJUWVXLL-UHFFFAOYSA-N -1 3 381.440 2.876 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc(C(C)C)no1 ZINC000735420761 598923901 /nfs/dbraw/zinc/92/39/01/598923901.db2.gz STKCZZFJUWVXLL-UHFFFAOYSA-N -1 3 381.440 2.876 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc1-c1nnn[n-]1 ZINC000737719538 598927705 /nfs/dbraw/zinc/92/77/05/598927705.db2.gz RPCSCNHCWPXMGD-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc1-c1nn[n-]n1 ZINC000737719538 598927707 /nfs/dbraw/zinc/92/77/07/598927707.db2.gz RPCSCNHCWPXMGD-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM CC[C@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736312681 598932722 /nfs/dbraw/zinc/93/27/22/598932722.db2.gz JJLZONWZKRJBDR-HXUWFJFHSA-N -1 3 376.420 2.868 20 30 GFEDHM CC[C@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736312681 598932724 /nfs/dbraw/zinc/93/27/24/598932724.db2.gz JJLZONWZKRJBDR-HXUWFJFHSA-N -1 3 376.420 2.868 20 30 GFEDHM N#Cc1nnc2ccccc2c1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737731222 598967091 /nfs/dbraw/zinc/96/70/91/598967091.db2.gz PZNMENYGNVQHDS-UHFFFAOYSA-N -1 3 398.430 2.729 20 30 GFEDHM N#Cc1nnc2ccccc2c1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737731222 598967093 /nfs/dbraw/zinc/96/70/93/598967093.db2.gz PZNMENYGNVQHDS-UHFFFAOYSA-N -1 3 398.430 2.729 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000735390192 599004612 /nfs/dbraw/zinc/00/46/12/599004612.db2.gz RQJCGEFKWUZAML-UHFFFAOYSA-N -1 3 381.461 2.760 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000735390192 599004615 /nfs/dbraw/zinc/00/46/15/599004615.db2.gz RQJCGEFKWUZAML-UHFFFAOYSA-N -1 3 381.461 2.760 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1N1CCOCC1 ZINC000737794067 599063921 /nfs/dbraw/zinc/06/39/21/599063921.db2.gz BCPOBEQJPSMUAS-RMKNXTFCSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1N1CCOCC1 ZINC000737794067 599063924 /nfs/dbraw/zinc/06/39/24/599063924.db2.gz BCPOBEQJPSMUAS-RMKNXTFCSA-N -1 3 379.395 2.739 20 30 GFEDHM Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c12 ZINC000737544979 599199711 /nfs/dbraw/zinc/19/97/11/599199711.db2.gz CZFAKVLCTGPBBQ-UHFFFAOYSA-N -1 3 386.375 2.713 20 30 GFEDHM Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c12 ZINC000737544979 599199715 /nfs/dbraw/zinc/19/97/15/599199715.db2.gz CZFAKVLCTGPBBQ-UHFFFAOYSA-N -1 3 386.375 2.713 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000737033416 599202457 /nfs/dbraw/zinc/20/24/57/599202457.db2.gz OOEKHCLTKBFDDJ-XOBRGWDASA-N -1 3 398.467 2.623 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000737033416 599202459 /nfs/dbraw/zinc/20/24/59/599202459.db2.gz OOEKHCLTKBFDDJ-XOBRGWDASA-N -1 3 398.467 2.623 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC#Cc2ccc(F)cc2)n1 ZINC000821342808 607326246 /nfs/dbraw/zinc/32/62/46/607326246.db2.gz IFVQTEXGOBBMJV-UHFFFAOYSA-N -1 3 383.408 2.721 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC#Cc2ccc(F)cc2)n1 ZINC000821342808 607326247 /nfs/dbraw/zinc/32/62/47/607326247.db2.gz IFVQTEXGOBBMJV-UHFFFAOYSA-N -1 3 383.408 2.721 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1cccc(C)c1 ZINC000735426561 598270142 /nfs/dbraw/zinc/27/01/42/598270142.db2.gz RTQWHIJPYLJVQN-UHFFFAOYSA-N -1 3 383.477 2.693 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1cccc(C)c1 ZINC000735426561 598270144 /nfs/dbraw/zinc/27/01/44/598270144.db2.gz RTQWHIJPYLJVQN-UHFFFAOYSA-N -1 3 383.477 2.693 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000736514382 598330210 /nfs/dbraw/zinc/33/02/10/598330210.db2.gz XSZDICBIAGLVNU-CYBMUJFWSA-N -1 3 380.408 2.660 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000736514382 598330212 /nfs/dbraw/zinc/33/02/12/598330212.db2.gz XSZDICBIAGLVNU-CYBMUJFWSA-N -1 3 380.408 2.660 20 30 GFEDHM C=CCSCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735436124 598330686 /nfs/dbraw/zinc/33/06/86/598330686.db2.gz GASFZBKIJOETCN-UHFFFAOYSA-N -1 3 385.449 2.688 20 30 GFEDHM C=CCSCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735436124 598330688 /nfs/dbraw/zinc/33/06/88/598330688.db2.gz GASFZBKIJOETCN-UHFFFAOYSA-N -1 3 385.449 2.688 20 30 GFEDHM O=C(NCC#Cc1ccccc1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738039349 598549174 /nfs/dbraw/zinc/54/91/74/598549174.db2.gz OPDNRPWDDADKPU-UHFFFAOYSA-N -1 3 399.410 2.820 20 30 GFEDHM C[C@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736102076 598576904 /nfs/dbraw/zinc/57/69/04/598576904.db2.gz QQPTVYRZSNIZNS-IFXJQAMLSA-N -1 3 387.447 2.585 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736512522 598610084 /nfs/dbraw/zinc/61/00/84/598610084.db2.gz KFQJAYAAIXGQFN-CYBMUJFWSA-N -1 3 377.452 2.896 20 30 GFEDHM Cc1cc(C(=O)N[C@@H](C#N)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234269 598611934 /nfs/dbraw/zinc/61/19/34/598611934.db2.gz NXLONEUCIZEYQI-MRXNPFEDSA-N -1 3 377.452 2.942 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000737718692 598620450 /nfs/dbraw/zinc/62/04/50/598620450.db2.gz ONYOEMXFBHULAS-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000737718692 598620453 /nfs/dbraw/zinc/62/04/53/598620453.db2.gz ONYOEMXFBHULAS-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737730600 598650320 /nfs/dbraw/zinc/65/03/20/598650320.db2.gz NOVSMEMTWNHEIK-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737730600 598650321 /nfs/dbraw/zinc/65/03/21/598650321.db2.gz NOVSMEMTWNHEIK-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505657 598651519 /nfs/dbraw/zinc/65/15/19/598651519.db2.gz PYUIRJDKIZWEKV-OAHLLOKOSA-N -1 3 390.447 2.921 20 30 GFEDHM CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505657 598651521 /nfs/dbraw/zinc/65/15/21/598651521.db2.gz PYUIRJDKIZWEKV-OAHLLOKOSA-N -1 3 390.447 2.921 20 30 GFEDHM N#Cc1cc(F)ccc1CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737704386 598765308 /nfs/dbraw/zinc/76/53/08/598765308.db2.gz HYERPAVXWNHARM-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#Cc1ccc(F)c(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737719760 598767289 /nfs/dbraw/zinc/76/72/89/598767289.db2.gz WYFHGQASLQVEKP-UHFFFAOYSA-N -1 3 378.411 2.921 20 30 GFEDHM N#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737686858 598782323 /nfs/dbraw/zinc/78/23/23/598782323.db2.gz FCQJLRSEJHRFSN-UHFFFAOYSA-N -1 3 378.396 2.869 20 30 GFEDHM N#CCCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737686858 598782325 /nfs/dbraw/zinc/78/23/25/598782325.db2.gz FCQJLRSEJHRFSN-UHFFFAOYSA-N -1 3 378.396 2.869 20 30 GFEDHM Cc1cccc(C)c1OCCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737391163 598789266 /nfs/dbraw/zinc/78/92/66/598789266.db2.gz ZPWROFMCEYRKCP-UHFFFAOYSA-N -1 3 381.465 2.894 20 30 GFEDHM Cc1cccc(C)c1OCCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737391163 598789267 /nfs/dbraw/zinc/78/92/67/598789267.db2.gz ZPWROFMCEYRKCP-UHFFFAOYSA-N -1 3 381.465 2.894 20 30 GFEDHM C=CCc1ccc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000735443610 599306401 /nfs/dbraw/zinc/30/64/01/599306401.db2.gz YFYCQLUDKCHGBU-UHFFFAOYSA-N -1 3 379.420 2.646 20 30 GFEDHM C=CCc1ccc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000735443610 599306404 /nfs/dbraw/zinc/30/64/04/599306404.db2.gz YFYCQLUDKCHGBU-UHFFFAOYSA-N -1 3 379.420 2.646 20 30 GFEDHM COc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OC ZINC000737040425 599463279 /nfs/dbraw/zinc/46/32/79/599463279.db2.gz PTSSQGGIMRHFGF-WAYWQWQTSA-N -1 3 390.403 2.736 20 30 GFEDHM COc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OC ZINC000737040425 599463280 /nfs/dbraw/zinc/46/32/80/599463280.db2.gz PTSSQGGIMRHFGF-WAYWQWQTSA-N -1 3 390.403 2.736 20 30 GFEDHM CCCCCCC[C@@H](C)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821048660 599487081 /nfs/dbraw/zinc/48/70/81/599487081.db2.gz FFIFOEXNSMGYKH-CYBMUJFWSA-N -1 3 380.518 2.923 20 30 GFEDHM CCCCCCC[C@@H](C)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821048660 599487082 /nfs/dbraw/zinc/48/70/82/599487082.db2.gz FFIFOEXNSMGYKH-CYBMUJFWSA-N -1 3 380.518 2.923 20 30 GFEDHM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820323067 599505859 /nfs/dbraw/zinc/50/58/59/599505859.db2.gz WXDOYONMSWZZIJ-AUUYWEPGSA-N -1 3 387.447 2.585 20 30 GFEDHM C=CCC[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734201 607390053 /nfs/dbraw/zinc/39/00/53/607390053.db2.gz JZLRYGAFOYLARC-SFHVURJKSA-N -1 3 383.477 2.994 20 30 GFEDHM C=CCC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734201 607390055 /nfs/dbraw/zinc/39/00/55/607390055.db2.gz JZLRYGAFOYLARC-SFHVURJKSA-N -1 3 383.477 2.994 20 30 GFEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-] ZINC000737886831 599912270 /nfs/dbraw/zinc/91/22/70/599912270.db2.gz QFHBLPDGSQPJEL-LLVKDONJSA-N -1 3 381.816 2.694 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821692914 607457866 /nfs/dbraw/zinc/45/78/66/607457866.db2.gz JAPNCDDVKJKMNW-FNORWQNLSA-N -1 3 398.394 2.936 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821692914 607457870 /nfs/dbraw/zinc/45/78/70/607457870.db2.gz JAPNCDDVKJKMNW-FNORWQNLSA-N -1 3 398.394 2.936 20 30 GFEDHM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000830895053 601048991 /nfs/dbraw/zinc/04/89/91/601048991.db2.gz UGBXPRGJHTUGLU-XSFVSMFZSA-N -1 3 386.492 2.823 20 30 GFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000827717905 601301682 /nfs/dbraw/zinc/30/16/82/601301682.db2.gz MSUHKSXKTCKTSP-QKKBWIMNSA-N -1 3 393.443 2.692 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000820529665 607503473 /nfs/dbraw/zinc/50/34/73/607503473.db2.gz QVMMCMZXBRVPNB-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM COc1ccc(CN=Cc2cc(Br)ccc2O)cc1-c1nnn[n-]1 ZINC000826196305 607527687 /nfs/dbraw/zinc/52/76/87/607527687.db2.gz XMEOGBDTWUCGGY-NVMNQCDNSA-N -1 3 388.225 2.963 20 30 GFEDHM COc1ccc(CN=Cc2cc(Br)ccc2O)cc1-c1nn[n-]n1 ZINC000826196305 607527689 /nfs/dbraw/zinc/52/76/89/607527689.db2.gz XMEOGBDTWUCGGY-NVMNQCDNSA-N -1 3 388.225 2.963 20 30 GFEDHM CC(C)C[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC000824229550 607530020 /nfs/dbraw/zinc/53/00/20/607530020.db2.gz SBXXDVCZXURXDR-INIZCTEOSA-N -1 3 387.488 2.882 20 30 GFEDHM CC(C)C[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000824229550 607530021 /nfs/dbraw/zinc/53/00/21/607530021.db2.gz SBXXDVCZXURXDR-INIZCTEOSA-N -1 3 387.488 2.882 20 30 GFEDHM C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(NC(=O)[O-])CC3)sc2C1 ZINC000739113607 602375042 /nfs/dbraw/zinc/37/50/42/602375042.db2.gz KNUBXLHTVAQTCC-GFCCVEGCSA-N -1 3 390.509 2.805 20 30 GFEDHM CCCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358969 602544368 /nfs/dbraw/zinc/54/43/68/602544368.db2.gz SXSFHUMESVXFDB-CVEARBPZSA-N -1 3 393.447 2.688 20 30 GFEDHM N#Cc1cccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000826387380 607577806 /nfs/dbraw/zinc/57/78/06/607577806.db2.gz SDIYYZPMXSVOKV-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000822801786 606072101 /nfs/dbraw/zinc/07/21/01/606072101.db2.gz ONMRCXUXFGEKJZ-HXUWFJFHSA-N -1 3 398.474 2.502 20 30 GFEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000822801786 606072106 /nfs/dbraw/zinc/07/21/06/606072106.db2.gz ONMRCXUXFGEKJZ-HXUWFJFHSA-N -1 3 398.474 2.502 20 30 GFEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)nc2ccc([N+](=O)[O-])cc12 ZINC000822823199 606223948 /nfs/dbraw/zinc/22/39/48/606223948.db2.gz MPIKIOUTXLUPOO-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)nc2ccc([N+](=O)[O-])cc12 ZINC000822823199 606223950 /nfs/dbraw/zinc/22/39/50/606223950.db2.gz MPIKIOUTXLUPOO-UHFFFAOYSA-N -1 3 390.338 2.946 20 30 GFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000822193287 606310713 /nfs/dbraw/zinc/31/07/13/606310713.db2.gz RAEJXWIHDFPURU-LBPRGKRZSA-N -1 3 397.489 2.709 20 30 GFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000822193287 606310714 /nfs/dbraw/zinc/31/07/14/606310714.db2.gz RAEJXWIHDFPURU-LBPRGKRZSA-N -1 3 397.489 2.709 20 30 GFEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C[C@H]2C)o1 ZINC000820759172 606341374 /nfs/dbraw/zinc/34/13/74/606341374.db2.gz IGFNCMMNCBVCNR-CYBMUJFWSA-N -1 3 380.456 2.898 20 30 GFEDHM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821077313 606405412 /nfs/dbraw/zinc/40/54/12/606405412.db2.gz AELZGSURDMQBDW-INIZCTEOSA-N -1 3 391.435 2.509 20 30 GFEDHM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821077313 606405413 /nfs/dbraw/zinc/40/54/13/606405413.db2.gz AELZGSURDMQBDW-INIZCTEOSA-N -1 3 391.435 2.509 20 30 GFEDHM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820882175 606407601 /nfs/dbraw/zinc/40/76/01/606407601.db2.gz LUXBTGFRVQECLT-LRDDRELGSA-N -1 3 391.435 2.680 20 30 GFEDHM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820882175 606407602 /nfs/dbraw/zinc/40/76/02/606407602.db2.gz LUXBTGFRVQECLT-LRDDRELGSA-N -1 3 391.435 2.680 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801977 606440750 /nfs/dbraw/zinc/44/07/50/606440750.db2.gz SOBGRLUEAGRCDB-MOPGFXCFSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822801977 606440752 /nfs/dbraw/zinc/44/07/52/606440752.db2.gz SOBGRLUEAGRCDB-MOPGFXCFSA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000822801345 606523253 /nfs/dbraw/zinc/52/32/53/606523253.db2.gz HDOSIQQMIXETLR-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000822801345 606523254 /nfs/dbraw/zinc/52/32/54/606523254.db2.gz HDOSIQQMIXETLR-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM N#Cc1csc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822845681 606562925 /nfs/dbraw/zinc/56/29/25/606562925.db2.gz CVSBMHDHAZRNHL-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM N#Cc1csc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822845681 606562927 /nfs/dbraw/zinc/56/29/27/606562927.db2.gz CVSBMHDHAZRNHL-UHFFFAOYSA-N -1 3 377.332 2.758 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820549459 606944946 /nfs/dbraw/zinc/94/49/46/606944946.db2.gz MVHPBWJONPXGRF-AWEZNQCLSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820549459 606944947 /nfs/dbraw/zinc/94/49/47/606944947.db2.gz MVHPBWJONPXGRF-AWEZNQCLSA-N -1 3 393.403 2.518 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837351 606945160 /nfs/dbraw/zinc/94/51/60/606945160.db2.gz KTCWYMGYCQQLPA-UHFFFAOYSA-N -1 3 377.404 2.683 20 30 GFEDHM N#Cc1cccc(OCCCOC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837351 606945162 /nfs/dbraw/zinc/94/51/62/606945162.db2.gz KTCWYMGYCQQLPA-UHFFFAOYSA-N -1 3 377.404 2.683 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cncc(OC(C)C)c1 ZINC000819745813 607010515 /nfs/dbraw/zinc/01/05/15/607010515.db2.gz RYAWCIUWFAKYRC-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cncc(OC(C)C)c1 ZINC000819745813 607010516 /nfs/dbraw/zinc/01/05/16/607010516.db2.gz RYAWCIUWFAKYRC-UHFFFAOYSA-N -1 3 378.436 2.877 20 30 GFEDHM N#Cc1ccc(F)cc1CN1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822830268 607059438 /nfs/dbraw/zinc/05/94/38/607059438.db2.gz ZZLQCJPCYKFJPS-UHFFFAOYSA-N -1 3 377.427 2.590 20 30 GFEDHM Fc1nc(F)c(F)c(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1F ZINC000822796792 607147518 /nfs/dbraw/zinc/14/75/18/607147518.db2.gz YYKXUMUKXJTUHO-UHFFFAOYSA-N -1 3 376.277 2.745 20 30 GFEDHM Fc1nc(F)c(F)c(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1F ZINC000822796792 607147520 /nfs/dbraw/zinc/14/75/20/607147520.db2.gz YYKXUMUKXJTUHO-UHFFFAOYSA-N -1 3 376.277 2.745 20 30 GFEDHM O=S(=O)(c1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1)C(F)(F)F ZINC000826495098 607886366 /nfs/dbraw/zinc/88/63/66/607886366.db2.gz CFPCQOWIBOCWKR-UHFFFAOYSA-N -1 3 396.354 2.606 20 30 GFEDHM O=S(=O)(c1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1)C(F)(F)F ZINC000826495098 607886367 /nfs/dbraw/zinc/88/63/67/607886367.db2.gz CFPCQOWIBOCWKR-UHFFFAOYSA-N -1 3 396.354 2.606 20 30 GFEDHM Fc1cccc(F)c1-c1n[nH]cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826377597 607890380 /nfs/dbraw/zinc/89/03/80/607890380.db2.gz YIDSQQIRKVELRN-UHFFFAOYSA-N -1 3 380.362 2.659 20 30 GFEDHM Fc1cccc(F)c1-c1n[nH]cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826377597 607890381 /nfs/dbraw/zinc/89/03/81/607890381.db2.gz YIDSQQIRKVELRN-UHFFFAOYSA-N -1 3 380.362 2.659 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826207406 607984208 /nfs/dbraw/zinc/98/42/08/607984208.db2.gz NADGRFSJUAKVCJ-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826207406 607984209 /nfs/dbraw/zinc/98/42/09/607984209.db2.gz NADGRFSJUAKVCJ-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cs2)n1C ZINC000826273543 608004772 /nfs/dbraw/zinc/00/47/72/608004772.db2.gz IVZQDEKDSRFYGC-UHFFFAOYSA-N -1 3 390.432 2.761 20 30 GFEDHM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cs2)n1C ZINC000826273543 608004773 /nfs/dbraw/zinc/00/47/73/608004773.db2.gz IVZQDEKDSRFYGC-UHFFFAOYSA-N -1 3 390.432 2.761 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(C(=S)Nc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386831 608047579 /nfs/dbraw/zinc/04/75/79/608047579.db2.gz UQQMOLVSSPRDMA-KRWDZBQOSA-N -1 3 391.460 2.509 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(C(=S)Nc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386831 608047580 /nfs/dbraw/zinc/04/75/80/608047580.db2.gz UQQMOLVSSPRDMA-KRWDZBQOSA-N -1 3 391.460 2.509 20 30 GFEDHM N#Cc1cnc2ccccc2c1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387800 608052600 /nfs/dbraw/zinc/05/26/00/608052600.db2.gz RICWZDMHPIWLAZ-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cnc2ccccc2c1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387800 608052601 /nfs/dbraw/zinc/05/26/01/608052601.db2.gz RICWZDMHPIWLAZ-IBGZPJMESA-N -1 3 383.415 2.864 20 30 GFEDHM CCC(Cc1ccc(OC)c(OC)c1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825128214 608109999 /nfs/dbraw/zinc/10/99/99/608109999.db2.gz RXLPVHKJSRBDIA-UHFFFAOYSA-N -1 3 380.452 2.982 20 30 GFEDHM CCC(Cc1ccc(OC)c(OC)c1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825128214 608110000 /nfs/dbraw/zinc/11/00/00/608110000.db2.gz RXLPVHKJSRBDIA-UHFFFAOYSA-N -1 3 380.452 2.982 20 30 GFEDHM C[C@@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000824779965 608125814 /nfs/dbraw/zinc/12/58/14/608125814.db2.gz YRKQVZSEGMAQJS-IBGZPJMESA-N -1 3 399.524 2.761 20 30 GFEDHM C[C@@]1(C#N)CCCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000824779965 608125815 /nfs/dbraw/zinc/12/58/15/608125815.db2.gz YRKQVZSEGMAQJS-IBGZPJMESA-N -1 3 399.524 2.761 20 30 GFEDHM C=CCOc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000823931821 608137526 /nfs/dbraw/zinc/13/75/26/608137526.db2.gz GKFNEVDNRCRDKZ-UHFFFAOYSA-N -1 3 395.419 2.709 20 30 GFEDHM C=CCOc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823931821 608137527 /nfs/dbraw/zinc/13/75/27/608137527.db2.gz GKFNEVDNRCRDKZ-UHFFFAOYSA-N -1 3 395.419 2.709 20 30 GFEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384137 608161698 /nfs/dbraw/zinc/16/16/98/608161698.db2.gz IEVLMJKPVAOKTD-WAYWQWQTSA-N -1 3 395.766 2.952 20 30 GFEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384137 608161700 /nfs/dbraw/zinc/16/17/00/608161700.db2.gz IEVLMJKPVAOKTD-WAYWQWQTSA-N -1 3 395.766 2.952 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000826357328 608301631 /nfs/dbraw/zinc/30/16/31/608301631.db2.gz AOYBYKJBLOIFHG-UHFFFAOYSA-N -1 3 383.415 2.674 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000826357328 608301632 /nfs/dbraw/zinc/30/16/32/608301632.db2.gz AOYBYKJBLOIFHG-UHFFFAOYSA-N -1 3 383.415 2.674 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823888810 608478758 /nfs/dbraw/zinc/47/87/58/608478758.db2.gz XGEPFZBVOUQQDK-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888810 608478760 /nfs/dbraw/zinc/47/87/60/608478760.db2.gz XGEPFZBVOUQQDK-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM COc1cccc(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1O ZINC000826215229 608526932 /nfs/dbraw/zinc/52/69/32/608526932.db2.gz JQBGNIOJDYITPX-NHDPSOOVSA-N -1 3 394.435 2.785 20 30 GFEDHM COc1cccc(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1O ZINC000826215229 608526934 /nfs/dbraw/zinc/52/69/34/608526934.db2.gz JQBGNIOJDYITPX-NHDPSOOVSA-N -1 3 394.435 2.785 20 30 GFEDHM CCOCc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC ZINC000825604271 608536142 /nfs/dbraw/zinc/53/61/42/608536142.db2.gz GXECRZMQSPZAIU-UHFFFAOYSA-N -1 3 387.831 2.906 20 30 GFEDHM CCOCc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC ZINC000825604271 608536143 /nfs/dbraw/zinc/53/61/43/608536143.db2.gz GXECRZMQSPZAIU-UHFFFAOYSA-N -1 3 387.831 2.906 20 30 GFEDHM N#Cc1nc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)ccc1Cl ZINC000826387775 608558443 /nfs/dbraw/zinc/55/84/43/608558443.db2.gz QGLKYXMPWYGFIV-UHFFFAOYSA-N -1 3 396.842 2.984 20 30 GFEDHM N#Cc1nc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)ccc1Cl ZINC000826387775 608558445 /nfs/dbraw/zinc/55/84/45/608558445.db2.gz QGLKYXMPWYGFIV-UHFFFAOYSA-N -1 3 396.842 2.984 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000825517814 608879017 /nfs/dbraw/zinc/87/90/17/608879017.db2.gz NQCBLEQJFRQUJA-CLFYSBASSA-N -1 3 396.378 2.844 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000825517814 608879018 /nfs/dbraw/zinc/87/90/18/608879018.db2.gz NQCBLEQJFRQUJA-CLFYSBASSA-N -1 3 396.378 2.844 20 30 GFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824385192 609226745 /nfs/dbraw/zinc/22/67/45/609226745.db2.gz NUDTXIJEMJVCKR-SJKOYZFVSA-N -1 3 394.460 2.933 20 30 GFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824385192 609226746 /nfs/dbraw/zinc/22/67/46/609226746.db2.gz NUDTXIJEMJVCKR-SJKOYZFVSA-N -1 3 394.460 2.933 20 30 GFEDHM C=CCN1C(=O)C(=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc21 ZINC000823919936 609469888 /nfs/dbraw/zinc/46/98/88/609469888.db2.gz STFKZLSAYBLZIJ-UHFFFAOYSA-N -1 3 379.811 2.869 20 30 GFEDHM C=CCN1C(=O)C(=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc21 ZINC000823919936 609469890 /nfs/dbraw/zinc/46/98/90/609469890.db2.gz STFKZLSAYBLZIJ-UHFFFAOYSA-N -1 3 379.811 2.869 20 30 GFEDHM C#CCOc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823861971 609555029 /nfs/dbraw/zinc/55/50/29/609555029.db2.gz VRLRIXOCIWWMLA-UHFFFAOYSA-N -1 3 399.414 2.625 20 30 GFEDHM C#CCOc1cccc(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823861971 609555031 /nfs/dbraw/zinc/55/50/31/609555031.db2.gz VRLRIXOCIWWMLA-UHFFFAOYSA-N -1 3 399.414 2.625 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccccc2C#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257948 609595971 /nfs/dbraw/zinc/59/59/71/609595971.db2.gz UOGBDPWRURYUEL-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccccc2C#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257948 609595972 /nfs/dbraw/zinc/59/59/72/609595972.db2.gz UOGBDPWRURYUEL-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)OCc2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261472 609627555 /nfs/dbraw/zinc/62/75/55/609627555.db2.gz GNXKQUXVVJZHHC-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM Cc1cc(C(=O)OCc2cccc(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261472 609627557 /nfs/dbraw/zinc/62/75/57/609627557.db2.gz GNXKQUXVVJZHHC-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000123698824 654761138 /nfs/dbraw/zinc/76/11/38/654761138.db2.gz GTDJROQVMRPUPI-UHFFFAOYSA-N -1 3 380.828 2.519 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000063646224 654855485 /nfs/dbraw/zinc/85/54/85/654855485.db2.gz DLLHXXAYCSHDBS-NSHDSACASA-N -1 3 392.308 2.670 20 30 GFEDHM CCOc1cc(C=NNC(=S)NCCc2ccccn2)cc(Cl)c1[O-] ZINC000726418827 655534022 /nfs/dbraw/zinc/53/40/22/655534022.db2.gz FPVYVBRSQMSJNZ-UHFFFAOYSA-N -1 3 378.885 2.880 20 30 GFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000740811107 655699606 /nfs/dbraw/zinc/69/96/06/655699606.db2.gz PWCZXJWEWLEMAP-UHFFFAOYSA-N -1 3 399.881 2.692 20 30 GFEDHM COc1cc(C=NO[C@H]2CCCCO2)cc(I)c1[O-] ZINC000755813127 655889300 /nfs/dbraw/zinc/88/93/00/655889300.db2.gz CXSJDKGGDLMRFP-LBPRGKRZSA-N -1 3 377.178 2.883 20 30 GFEDHM C=CCCCCCN(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760627726 655988602 /nfs/dbraw/zinc/98/86/02/655988602.db2.gz PLZYPFJSGATRSK-AWEZNQCLSA-N -1 3 387.933 2.997 20 30 GFEDHM O=C([N-]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C(F)(F)C(F)F ZINC000769303840 656270028 /nfs/dbraw/zinc/27/00/28/656270028.db2.gz SHULVQBCAGXFLD-SECBINFHSA-N -1 3 377.256 2.753 20 30 GFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(F)c(Br)c1 ZINC000769818075 656293094 /nfs/dbraw/zinc/29/30/94/656293094.db2.gz DTIOWAUMIQHGCM-UHFFFAOYSA-N -1 3 379.193 2.807 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cnc(Br)s1 ZINC000773526769 656456077 /nfs/dbraw/zinc/45/60/77/656456077.db2.gz JQIRPAWGMKCTRC-UHFFFAOYSA-N -1 3 395.282 2.744 20 30 GFEDHM CC#CCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000779376294 656923308 /nfs/dbraw/zinc/92/33/08/656923308.db2.gz CGWNVBGXXHWGHW-UHFFFAOYSA-N -1 3 375.277 2.577 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000786973013 657498785 /nfs/dbraw/zinc/49/87/85/657498785.db2.gz SLXBLTPKOKRHEI-UHFFFAOYSA-N -1 3 389.218 2.852 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCSC(C)(C)CC2)ccc1F ZINC000790141836 657931239 /nfs/dbraw/zinc/93/12/39/657931239.db2.gz HHAKJUBKXRQZCK-UHFFFAOYSA-N -1 3 386.514 2.648 20 30 GFEDHM COc1ccc(Br)c(CS(=O)(=O)[N-][C@@H](C#N)CC(C)C)c1 ZINC000800041742 659260930 /nfs/dbraw/zinc/26/09/30/659260930.db2.gz OTLBFXQWKXFUQT-GFCCVEGCSA-N -1 3 375.288 2.815 20 30 GFEDHM C#CCCCCCC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000803491619 659583240 /nfs/dbraw/zinc/58/32/40/659583240.db2.gz RLHXTEBUMINPDL-UHFFFAOYSA-N -1 3 391.320 2.972 20 30 GFEDHM CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816690500 660165534 /nfs/dbraw/zinc/16/55/34/660165534.db2.gz UCRHMTWHLJSZRY-ZFWWWQNUSA-N -1 3 383.286 2.760 20 30 GFEDHM CO[C@H](C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(F)(F)F ZINC000849374976 661711203 /nfs/dbraw/zinc/71/12/03/661711203.db2.gz LOPBSCOSNSINDZ-GFCCVEGCSA-N -1 3 378.397 2.937 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CCOCC1 ZINC000851827169 661835657 /nfs/dbraw/zinc/83/56/57/661835657.db2.gz GSOKHEMUSOETOR-CYBMUJFWSA-N -1 3 392.702 2.809 20 30 GFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cn2c(n1)COCC2 ZINC000860473988 662202140 /nfs/dbraw/zinc/20/21/40/662202140.db2.gz UPYZKIKRMNIHGV-SNVBAGLBSA-N -1 3 379.203 2.681 20 30 GFEDHM CCSc1ccc(CC(=O)N[C@@H]2CCCN([O-])C2=O)c(Br)c1 ZINC000861827964 662260107 /nfs/dbraw/zinc/26/01/07/662260107.db2.gz NLPSEQNZSYZJEJ-CYBMUJFWSA-N -1 3 387.299 2.600 20 30 GFEDHM Cn1cc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c(Br)n1 ZINC000866997377 662515381 /nfs/dbraw/zinc/51/53/81/662515381.db2.gz OANHORVIYXWBJT-GFCCVEGCSA-N -1 3 383.271 2.506 20 30 GFEDHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)on1 ZINC000906947660 663985043 /nfs/dbraw/zinc/98/50/43/663985043.db2.gz MJKMEPSUOARWOP-UHFFFAOYSA-N -1 3 384.255 2.911 20 30 GFEDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000920482491 664526772 /nfs/dbraw/zinc/52/67/72/664526772.db2.gz QBMGEJNBAQYFSZ-UHFFFAOYSA-N -1 3 379.463 2.511 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccs1 ZINC000056011536 551176099 /nfs/dbraw/zinc/17/60/99/551176099.db2.gz QUGYHQLMQALEBY-ZDUSSCGKSA-N -1 3 384.866 2.856 20 30 GFEDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000154995061 551488246 /nfs/dbraw/zinc/48/82/46/551488246.db2.gz NSIFPHKMMCPRDP-AWEZNQCLSA-N -1 3 378.416 2.898 20 30 GFEDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155217724 551494498 /nfs/dbraw/zinc/49/44/98/551494498.db2.gz RTRQESYBLZUYGI-VIFPVBQESA-N -1 3 384.255 2.965 20 30 GFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000155250123 551495465 /nfs/dbraw/zinc/49/54/65/551495465.db2.gz JOJASEMAGHPIHO-UHFFFAOYSA-N -1 3 386.296 2.873 20 30 GFEDHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(Cl)c1 ZINC000156898500 551529762 /nfs/dbraw/zinc/52/97/62/551529762.db2.gz UKZOGXJJAPQJGB-UHFFFAOYSA-N -1 3 381.816 2.576 20 30 GFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000163393700 551619568 /nfs/dbraw/zinc/61/95/68/551619568.db2.gz IWINSWUXEHCIAS-UHFFFAOYSA-N -1 3 398.706 2.982 20 30 GFEDHM C=CCOCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000173086723 551695262 /nfs/dbraw/zinc/69/52/62/551695262.db2.gz YHIABBLAUGAIKW-UHFFFAOYSA-N -1 3 380.388 2.998 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)c(Cl)c1 ZINC000183457470 552309888 /nfs/dbraw/zinc/30/98/88/552309888.db2.gz DYTDZVFYADZJST-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1Br ZINC000191806673 552538719 /nfs/dbraw/zinc/53/87/19/552538719.db2.gz OATGEXPKVNKBBC-UHFFFAOYSA-N -1 3 395.234 2.908 20 30 GFEDHM Cc1nc(CN2CCC(C[N-]S(=O)(=O)c3ccc(C#N)s3)CC2)cs1 ZINC000375629330 563412415 /nfs/dbraw/zinc/41/24/15/563412415.db2.gz QHIHIUOGEFNLST-UHFFFAOYSA-N -1 3 396.563 2.575 20 30 GFEDHM COc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Br ZINC000425286666 563417166 /nfs/dbraw/zinc/41/71/66/563417166.db2.gz QOIBJIZWRFIPHR-LLVKDONJSA-N -1 3 390.241 2.661 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3cscn3)CC2)c(Cl)c1 ZINC000378600860 563512228 /nfs/dbraw/zinc/51/22/28/563512228.db2.gz RBLBMYYRMCDAGU-UHFFFAOYSA-N -1 3 396.925 2.611 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(Cc3ccc(Cl)cc3)CC2)o1 ZINC000286583029 563566831 /nfs/dbraw/zinc/56/68/31/563566831.db2.gz JWIVCMGDBDWUPR-UHFFFAOYSA-N -1 3 379.869 2.748 20 30 GFEDHM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000435434358 563650248 /nfs/dbraw/zinc/65/02/48/563650248.db2.gz SBEAYNNIOLELBI-CYBMUJFWSA-N -1 3 375.416 2.728 20 30 GFEDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCOCC1 ZINC000435442516 563651148 /nfs/dbraw/zinc/65/11/48/563651148.db2.gz LJUHPZUKDIOZFD-UHFFFAOYSA-N -1 3 376.503 2.955 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000435448133 563652009 /nfs/dbraw/zinc/65/20/09/563652009.db2.gz STFGLKUJRFBHBR-ZDUSSCGKSA-N -1 3 395.893 2.747 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000435588079 563653600 /nfs/dbraw/zinc/65/36/00/563653600.db2.gz KCUKIJQJSFUGNQ-QMTHXVAHSA-N -1 3 378.263 2.848 20 30 GFEDHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000442849549 563782187 /nfs/dbraw/zinc/78/21/87/563782187.db2.gz UFERRCVIKXCGQG-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCN(Cc2ccccc2)C1 ZINC000443086128 563791185 /nfs/dbraw/zinc/79/11/85/563791185.db2.gz LZUGNWJNVQAHMW-HNNXBMFYSA-N -1 3 375.881 2.764 20 30 GFEDHM CN(C)c1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)ccn1 ZINC000443351647 563802839 /nfs/dbraw/zinc/80/28/39/563802839.db2.gz AOVALKNCQDEXGZ-UHFFFAOYSA-N -1 3 381.255 2.583 20 30 GFEDHM CN1C[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)Cc2ccccc21 ZINC000444289949 563826931 /nfs/dbraw/zinc/82/69/31/563826931.db2.gz SYLVHLGKTCHGKS-AWEZNQCLSA-N -1 3 375.881 2.799 20 30 GFEDHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC(C)(C)CC#N)s1 ZINC000416528916 563843465 /nfs/dbraw/zinc/84/34/65/563843465.db2.gz ISBQPEPQZIPMNX-UHFFFAOYSA-N -1 3 385.555 2.671 20 30 GFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000508145871 564256538 /nfs/dbraw/zinc/25/65/38/564256538.db2.gz UQDVRANZWWZHEY-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000451912675 564365734 /nfs/dbraw/zinc/36/57/34/564365734.db2.gz ULPUQOKYUCBUMV-CFVMTHIKSA-N -1 3 389.901 2.766 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000568702716 564430829 /nfs/dbraw/zinc/43/08/29/564430829.db2.gz BFDHVXUELQQPCO-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(NS(C)(=O)=O)ccc1Cl ZINC000513416542 564429703 /nfs/dbraw/zinc/42/97/03/564429703.db2.gz VLLUNULMPDRFSY-UHFFFAOYSA-N -1 3 399.881 2.692 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](CO)c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000546779398 564468206 /nfs/dbraw/zinc/46/82/06/564468206.db2.gz GOTAHQZHQKQHRN-AWEZNQCLSA-N -1 3 376.400 2.742 20 30 GFEDHM C=C[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000572212156 564585134 /nfs/dbraw/zinc/58/51/34/564585134.db2.gz WBWXWMQKWVGYNS-NSHDSACASA-N -1 3 377.293 2.839 20 30 GFEDHM CC(C)(CC#N)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000457991006 564683236 /nfs/dbraw/zinc/68/32/36/564683236.db2.gz QWOUJCJLYAVRHG-UHFFFAOYSA-N -1 3 392.308 2.718 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000553517072 564723984 /nfs/dbraw/zinc/72/39/84/564723984.db2.gz HQYYVJBKQVHIOM-CYBMUJFWSA-N -1 3 397.225 2.872 20 30 GFEDHM CC(C)N(CCC#N)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000527163453 564731904 /nfs/dbraw/zinc/73/19/04/564731904.db2.gz QERQZEGAODVAMQ-UHFFFAOYSA-N -1 3 377.388 2.841 20 30 GFEDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553764046 564735113 /nfs/dbraw/zinc/73/51/13/564735113.db2.gz PDJCKVPLHWCHPU-UHFFFAOYSA-N -1 3 398.282 2.912 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccn3)C2)c(Cl)c1 ZINC000582587725 564853001 /nfs/dbraw/zinc/85/30/01/564853001.db2.gz PHOSRRBZMUNFAU-CZUORRHYSA-N -1 3 377.853 2.805 20 30 GFEDHM C[C@@]1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@H]1C1CC1 ZINC000562788260 565043289 /nfs/dbraw/zinc/04/32/89/565043289.db2.gz BYFTWYDFIKYIOD-LSDHHAIUSA-N -1 3 385.283 2.557 20 30 GFEDHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)CCCC#N ZINC000470624318 565051350 /nfs/dbraw/zinc/05/13/50/565051350.db2.gz WYTVUGKEGGMHPP-AWEZNQCLSA-N -1 3 393.292 2.691 20 30 GFEDHM N#CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000586759227 565114898 /nfs/dbraw/zinc/11/48/98/565114898.db2.gz NZZUPZGBYUCEIH-UHFFFAOYSA-N -1 3 381.807 2.625 20 30 GFEDHM COc1cnc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(Br)c1 ZINC000589593273 565167332 /nfs/dbraw/zinc/16/73/32/565167332.db2.gz IPWDYOOLLBYHJQ-UHFFFAOYSA-N -1 3 382.239 2.720 20 30 GFEDHM CCCCNC(=O)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593529459 565338348 /nfs/dbraw/zinc/33/83/48/565338348.db2.gz BFIIRUCHQJKGKB-UHFFFAOYSA-N -1 3 377.491 2.628 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCOCC1 ZINC000593571904 565344117 /nfs/dbraw/zinc/34/41/17/565344117.db2.gz WRQHAIMRHCIXLA-UHFFFAOYSA-N -1 3 384.429 2.882 20 30 GFEDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619753457 565358570 /nfs/dbraw/zinc/35/85/70/565358570.db2.gz OFFBPZJNSUECTP-UHFFFAOYSA-N -1 3 384.816 2.846 20 30 GFEDHM CC(C)(C)c1cc(Br)cc(NC(=O)Cn2cnc(C#N)n2)c1[O-] ZINC000594381425 565383245 /nfs/dbraw/zinc/38/32/45/565383245.db2.gz JSOMLKZRJSNQOB-UHFFFAOYSA-N -1 3 378.230 2.554 20 30 GFEDHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594788145 565420196 /nfs/dbraw/zinc/42/01/96/565420196.db2.gz FQLSGOMKVZPPQK-LBPRGKRZSA-N -1 3 375.416 2.728 20 30 GFEDHM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594784122 565420511 /nfs/dbraw/zinc/42/05/11/565420511.db2.gz LNQUJJDIAZVSNH-CQSZACIVSA-N -1 3 378.475 2.701 20 30 GFEDHM Cn1cc(C[C@H]2CCC[C@H]2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000594859180 565430510 /nfs/dbraw/zinc/43/05/10/565430510.db2.gz BSEAMNQUUXRENO-GDBMZVCRSA-N -1 3 378.885 2.635 20 30 GFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000611113941 566115330 /nfs/dbraw/zinc/11/53/30/566115330.db2.gz SSBCCIUAOZJVHH-SNVBAGLBSA-N -1 3 376.232 2.574 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736308554 598866467 /nfs/dbraw/zinc/86/64/67/598866467.db2.gz DYDSJPOORMEWHP-SFHVURJKSA-N -1 3 390.447 2.797 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308554 598866469 /nfs/dbraw/zinc/86/64/69/598866469.db2.gz DYDSJPOORMEWHP-SFHVURJKSA-N -1 3 390.447 2.797 20 30 GFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039054 598888050 /nfs/dbraw/zinc/88/80/50/598888050.db2.gz ZHKHQQAAZKDZEE-CFYYFVFUSA-N -1 3 375.388 2.762 20 30 GFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)C=Cc1ccccc1C#N ZINC000736039054 598888052 /nfs/dbraw/zinc/88/80/52/598888052.db2.gz ZHKHQQAAZKDZEE-CFYYFVFUSA-N -1 3 375.388 2.762 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737716027 598914499 /nfs/dbraw/zinc/91/44/99/598914499.db2.gz KNWHTBPVWHMWAT-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM N#Cc1ccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737716027 598914501 /nfs/dbraw/zinc/91/45/01/598914501.db2.gz KNWHTBPVWHMWAT-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Br)o2)cc1-c1nnn[n-]1 ZINC000737716724 598916275 /nfs/dbraw/zinc/91/62/75/598916275.db2.gz UQXIRLJQUDZYEO-XQRVVYSFSA-N -1 3 385.181 2.746 20 30 GFEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Br)o2)cc1-c1nn[n-]n1 ZINC000737716724 598916277 /nfs/dbraw/zinc/91/62/77/598916277.db2.gz UQXIRLJQUDZYEO-XQRVVYSFSA-N -1 3 385.181 2.746 20 30 GFEDHM CCOc1cccc2c1OCC(C(=O)Nc1ccc(-c3nnn[n-]3)c(C#N)c1)=C2 ZINC000736654933 598922426 /nfs/dbraw/zinc/92/24/26/598922426.db2.gz NLUKQUNGNBSSJO-UHFFFAOYSA-N -1 3 388.387 2.552 20 30 GFEDHM CCOc1cccc2c1OCC(C(=O)Nc1ccc(-c3nn[n-]n3)c(C#N)c1)=C2 ZINC000736654933 598922428 /nfs/dbraw/zinc/92/24/28/598922428.db2.gz NLUKQUNGNBSSJO-UHFFFAOYSA-N -1 3 388.387 2.552 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735426713 598952219 /nfs/dbraw/zinc/95/22/19/598952219.db2.gz UUSVZMNSFCRWRQ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735426713 598952222 /nfs/dbraw/zinc/95/22/22/598952222.db2.gz UUSVZMNSFCRWRQ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM CCCC(=O)Nc1ccc(O)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821009072 607254543 /nfs/dbraw/zinc/25/45/43/607254543.db2.gz NMRPCTRHYYDAJC-UHFFFAOYSA-N -1 3 393.451 2.825 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000736509342 598970457 /nfs/dbraw/zinc/97/04/57/598970457.db2.gz VIDCZKZASCNUHF-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000736509342 598970459 /nfs/dbraw/zinc/97/04/59/598970459.db2.gz VIDCZKZASCNUHF-ZDUSSCGKSA-N -1 3 382.449 2.510 20 30 GFEDHM CCOc1ccc(C=NOCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736644460 598977321 /nfs/dbraw/zinc/97/73/21/598977321.db2.gz ZBPXFMLPFUPDGJ-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM CCOc1ccc(C=NOCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736644460 598977323 /nfs/dbraw/zinc/97/73/23/598977323.db2.gz ZBPXFMLPFUPDGJ-UHFFFAOYSA-N -1 3 383.408 2.704 20 30 GFEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCN(Cc3ccccn3)C[C@H]2C)o1 ZINC000736289186 599009737 /nfs/dbraw/zinc/00/97/37/599009737.db2.gz KLOPAZZMIQAYAV-CYBMUJFWSA-N -1 3 395.471 2.683 20 30 GFEDHM COc1cc(CN(CC#N)C2CC2)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000737044620 599208552 /nfs/dbraw/zinc/20/85/52/599208552.db2.gz AFVMYCLMQPXBNR-UHFFFAOYSA-N -1 3 390.447 2.942 20 30 GFEDHM COc1cc(CN(CC#N)C2CC2)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000737044620 599208554 /nfs/dbraw/zinc/20/85/54/599208554.db2.gz AFVMYCLMQPXBNR-UHFFFAOYSA-N -1 3 390.447 2.942 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)Cc1ccccc1F ZINC000735426783 598270246 /nfs/dbraw/zinc/27/02/46/598270246.db2.gz WSTHHNWLIUQTMF-UHFFFAOYSA-N -1 3 387.440 2.524 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)Cc1ccccc1F ZINC000735426783 598270247 /nfs/dbraw/zinc/27/02/47/598270247.db2.gz WSTHHNWLIUQTMF-UHFFFAOYSA-N -1 3 387.440 2.524 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cccc(O)c1 ZINC000735420297 598430160 /nfs/dbraw/zinc/43/01/60/598430160.db2.gz OGBVJFTWFSEWQP-UHFFFAOYSA-N -1 3 378.436 2.513 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1cccc(O)c1 ZINC000735420297 598430162 /nfs/dbraw/zinc/43/01/62/598430162.db2.gz OGBVJFTWFSEWQP-UHFFFAOYSA-N -1 3 378.436 2.513 20 30 GFEDHM C=C1CCN(CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2-c2ccccc2)CC1 ZINC000735403494 598504929 /nfs/dbraw/zinc/50/49/29/598504929.db2.gz XJGDUWBFKABIDQ-UHFFFAOYSA-N -1 3 391.479 2.865 20 30 GFEDHM C=C1CCN(CC(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2-c2ccccc2)CC1 ZINC000735403494 598504930 /nfs/dbraw/zinc/50/49/30/598504930.db2.gz XJGDUWBFKABIDQ-UHFFFAOYSA-N -1 3 391.479 2.865 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000737705239 598633689 /nfs/dbraw/zinc/63/36/89/598633689.db2.gz MFESZZPEUIIGDM-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000737705239 598633691 /nfs/dbraw/zinc/63/36/91/598633691.db2.gz MFESZZPEUIIGDM-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM CC(CCCOc1ccccc1C(N)=O)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735985960 598638372 /nfs/dbraw/zinc/63/83/72/598638372.db2.gz OIHASJNPWMNINW-UHFFFAOYSA-N -1 3 379.424 2.613 20 30 GFEDHM CC(CCCOc1ccccc1C(N)=O)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735985960 598638373 /nfs/dbraw/zinc/63/83/73/598638373.db2.gz OIHASJNPWMNINW-UHFFFAOYSA-N -1 3 379.424 2.613 20 30 GFEDHM CCn1c(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)nc2c1cccc2F ZINC000736714610 598644264 /nfs/dbraw/zinc/64/42/64/598644264.db2.gz SUZVFGNCOGZAFA-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM CCn1c(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)nc2c1cccc2F ZINC000736714610 598644265 /nfs/dbraw/zinc/64/42/65/598644265.db2.gz SUZVFGNCOGZAFA-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CSc1ccc(C#N)cc1 ZINC000736625625 598648445 /nfs/dbraw/zinc/64/84/45/598648445.db2.gz DCNQZKUDLWRFKT-UHFFFAOYSA-N -1 3 381.417 2.835 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CSc1ccc(C#N)cc1 ZINC000736625625 598648448 /nfs/dbraw/zinc/64/84/48/598648448.db2.gz DCNQZKUDLWRFKT-UHFFFAOYSA-N -1 3 381.417 2.835 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737728879 598745633 /nfs/dbraw/zinc/74/56/33/598745633.db2.gz XTVGDPRHHITEPF-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM N#Cc1nc(C2CC2)oc1N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737728879 598745634 /nfs/dbraw/zinc/74/56/34/598745634.db2.gz XTVGDPRHHITEPF-UHFFFAOYSA-N -1 3 396.842 2.584 20 30 GFEDHM C=CCNC(=O)c1ccc(NCCSCc2ccccc2-c2nnn[n-]2)nc1 ZINC000735433005 598784452 /nfs/dbraw/zinc/78/44/52/598784452.db2.gz XZDHSJHTNIOEBD-UHFFFAOYSA-N -1 3 395.492 2.523 20 30 GFEDHM C=CCNC(=O)c1ccc(NCCSCc2ccccc2-c2nn[n-]n2)nc1 ZINC000735433005 598784453 /nfs/dbraw/zinc/78/44/53/598784453.db2.gz XZDHSJHTNIOEBD-UHFFFAOYSA-N -1 3 395.492 2.523 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819751577 599386088 /nfs/dbraw/zinc/38/60/88/599386088.db2.gz WZIRANDLWIZMCE-GFCCVEGCSA-N -1 3 382.399 2.901 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819751577 599386089 /nfs/dbraw/zinc/38/60/89/599386089.db2.gz WZIRANDLWIZMCE-GFCCVEGCSA-N -1 3 382.399 2.901 20 30 GFEDHM C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820334744 599517070 /nfs/dbraw/zinc/51/70/70/599517070.db2.gz PJZFILVQKWQHBS-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820334744 599517073 /nfs/dbraw/zinc/51/70/73/599517073.db2.gz PJZFILVQKWQHBS-ZDUSSCGKSA-N -1 3 378.461 2.849 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822541244 599522642 /nfs/dbraw/zinc/52/26/42/599522642.db2.gz LYUDGJRKECBUNK-GFCCVEGCSA-N -1 3 387.403 2.922 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822541244 599522644 /nfs/dbraw/zinc/52/26/44/599522644.db2.gz LYUDGJRKECBUNK-GFCCVEGCSA-N -1 3 387.403 2.922 20 30 GFEDHM C=CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1cccc(C#N)c1 ZINC000819745551 599566217 /nfs/dbraw/zinc/56/62/17/599566217.db2.gz JAYXMUPDWVTVII-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM C=CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)Cc1cccc(C#N)c1 ZINC000819745551 599566218 /nfs/dbraw/zinc/56/62/18/599566218.db2.gz JAYXMUPDWVTVII-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM N#CCC1(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000822805778 599626590 /nfs/dbraw/zinc/62/65/90/599626590.db2.gz CVXVJGNAPIFZMF-UHFFFAOYSA-N -1 3 376.376 2.905 20 30 GFEDHM N#CCC1(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000822805778 599626591 /nfs/dbraw/zinc/62/65/91/599626591.db2.gz CVXVJGNAPIFZMF-UHFFFAOYSA-N -1 3 376.376 2.905 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2C)c(-c2nnn[n-]2)c1C ZINC000825577298 607428433 /nfs/dbraw/zinc/42/84/33/607428433.db2.gz VFOBETCWHUGURK-UHFFFAOYSA-N -1 3 396.432 2.846 20 30 GFEDHM CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2C)c(-c2nn[n-]n2)c1C ZINC000825577298 607428435 /nfs/dbraw/zinc/42/84/35/607428435.db2.gz VFOBETCWHUGURK-UHFFFAOYSA-N -1 3 396.432 2.846 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(OC)c(C#N)c2)n1 ZINC000825560944 607542410 /nfs/dbraw/zinc/54/24/10/607542410.db2.gz XXOSZUNGAYZCRJ-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(OC)c(C#N)c2)n1 ZINC000825560944 607542411 /nfs/dbraw/zinc/54/24/11/607542411.db2.gz XXOSZUNGAYZCRJ-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826200288 607617384 /nfs/dbraw/zinc/61/73/84/607617384.db2.gz IKSKRYNNFPQYSW-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826200288 607617386 /nfs/dbraw/zinc/61/73/86/607617386.db2.gz IKSKRYNNFPQYSW-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1-c1nnn[n-]1 ZINC000826200330 607620303 /nfs/dbraw/zinc/62/03/03/607620303.db2.gz KSMPBBGTRNQQTQ-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM COc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1-c1nn[n-]n1 ZINC000826200330 607620305 /nfs/dbraw/zinc/62/03/05/607620305.db2.gz KSMPBBGTRNQQTQ-UHFFFAOYSA-N -1 3 383.799 2.722 20 30 GFEDHM C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1CNC(=O)[O-] ZINC000825919578 603716742 /nfs/dbraw/zinc/71/67/42/603716742.db2.gz PBFHFYMQAABLDG-IPYPFGDCSA-N -1 3 386.477 2.841 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000829442952 604222147 /nfs/dbraw/zinc/22/21/47/604222147.db2.gz ULGZTCMLRHFSDL-GMXVVIOVSA-N -1 3 393.827 2.822 20 30 GFEDHM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)[nH]1 ZINC000826384022 607741498 /nfs/dbraw/zinc/74/14/98/607741498.db2.gz CKAGRGGADRMQFY-UHFFFAOYSA-N -1 3 375.417 2.725 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2C#N)cc1-c1nnn[n-]1 ZINC000825545810 607759881 /nfs/dbraw/zinc/75/98/81/607759881.db2.gz XOCHVUVSLWSKAG-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2sccc2C#N)cc1-c1nn[n-]n1 ZINC000825545810 607759882 /nfs/dbraw/zinc/75/98/82/607759882.db2.gz XOCHVUVSLWSKAG-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000820549995 606182669 /nfs/dbraw/zinc/18/26/69/606182669.db2.gz ULHCSMGYOVETOP-GOEBONIOSA-N -1 3 377.404 2.560 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000820549995 606182672 /nfs/dbraw/zinc/18/26/72/606182672.db2.gz ULHCSMGYOVETOP-GOEBONIOSA-N -1 3 377.404 2.560 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000822631890 606287520 /nfs/dbraw/zinc/28/75/20/606287520.db2.gz LGVVPZLMFDFXDT-NSHDSACASA-N -1 3 376.207 2.507 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000822631890 606287521 /nfs/dbraw/zinc/28/75/21/606287521.db2.gz LGVVPZLMFDFXDT-NSHDSACASA-N -1 3 376.207 2.507 20 30 GFEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000822477195 606340044 /nfs/dbraw/zinc/34/00/44/606340044.db2.gz JDMHVZYRKWVSMQ-FPLPWBNLSA-N -1 3 396.414 2.905 20 30 GFEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000822477195 606340045 /nfs/dbraw/zinc/34/00/45/606340045.db2.gz JDMHVZYRKWVSMQ-FPLPWBNLSA-N -1 3 396.414 2.905 20 30 GFEDHM N#CCc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822814555 606557663 /nfs/dbraw/zinc/55/76/63/606557663.db2.gz JEUCQPJNAVKWAL-UHFFFAOYSA-N -1 3 385.330 2.891 20 30 GFEDHM N#CCc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822814555 606557664 /nfs/dbraw/zinc/55/76/64/606557664.db2.gz JEUCQPJNAVKWAL-UHFFFAOYSA-N -1 3 385.330 2.891 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000822825439 606559480 /nfs/dbraw/zinc/55/94/80/606559480.db2.gz FXQYIOROZNTGJN-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM N#Cc1ccc(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000822825439 606559481 /nfs/dbraw/zinc/55/94/81/606559481.db2.gz FXQYIOROZNTGJN-UHFFFAOYSA-N -1 3 385.330 2.626 20 30 GFEDHM CCN(CCC#N)C(=O)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821207724 606707323 /nfs/dbraw/zinc/70/73/23/606707323.db2.gz TUGAUMCYXVFUHV-UHFFFAOYSA-N -1 3 391.435 2.833 20 30 GFEDHM CCN(CCC#N)C(=O)CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821207724 606707325 /nfs/dbraw/zinc/70/73/25/606707325.db2.gz TUGAUMCYXVFUHV-UHFFFAOYSA-N -1 3 391.435 2.833 20 30 GFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819844938 606834128 /nfs/dbraw/zinc/83/41/28/606834128.db2.gz PBFKHDLNMIIHGN-LBPRGKRZSA-N -1 3 395.398 2.866 20 30 GFEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819844938 606834130 /nfs/dbraw/zinc/83/41/30/606834130.db2.gz PBFKHDLNMIIHGN-LBPRGKRZSA-N -1 3 395.398 2.866 20 30 GFEDHM N#Cc1ccccc1OCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822842475 607042263 /nfs/dbraw/zinc/04/22/63/607042263.db2.gz KCSNUOLZQPJWKV-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM N#Cc1ccccc1OCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822842475 607042264 /nfs/dbraw/zinc/04/22/64/607042264.db2.gz KCSNUOLZQPJWKV-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000821305126 607102255 /nfs/dbraw/zinc/10/22/55/607102255.db2.gz XZKQBFBUAODARN-UHFFFAOYSA-N -1 3 379.449 2.901 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)CNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000822308918 607124406 /nfs/dbraw/zinc/12/44/06/607124406.db2.gz KNRIGAUMGLBIFU-UHFFFAOYSA-N -1 3 375.436 2.842 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)CNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000822308918 607124407 /nfs/dbraw/zinc/12/44/07/607124407.db2.gz KNRIGAUMGLBIFU-UHFFFAOYSA-N -1 3 375.436 2.842 20 30 GFEDHM COc1ccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000821835937 607145690 /nfs/dbraw/zinc/14/56/90/607145690.db2.gz UFQHJXKQXDEIGU-UHFFFAOYSA-N -1 3 392.448 2.677 20 30 GFEDHM COc1ccc(NC(=S)NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000821835937 607145692 /nfs/dbraw/zinc/14/56/92/607145692.db2.gz UFQHJXKQXDEIGU-UHFFFAOYSA-N -1 3 392.448 2.677 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)cc2F)cc1-c1nnn[n-]1 ZINC000821720914 607150783 /nfs/dbraw/zinc/15/07/83/607150783.db2.gz ZWJRKUBSLLCARS-GQCTYLIASA-N -1 3 384.367 2.928 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)cc2F)cc1-c1nn[n-]n1 ZINC000821720914 607150784 /nfs/dbraw/zinc/15/07/84/607150784.db2.gz ZWJRKUBSLLCARS-GQCTYLIASA-N -1 3 384.367 2.928 20 30 GFEDHM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000819766186 607169226 /nfs/dbraw/zinc/16/92/26/607169226.db2.gz VVJBYDJTOBNWQU-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM C=CCn1c(SCc2ccc(F)cc2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000819766186 607169227 /nfs/dbraw/zinc/16/92/27/607169227.db2.gz VVJBYDJTOBNWQU-UHFFFAOYSA-N -1 3 395.427 2.533 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccccc2-c2nnn[n-]2)c(C#N)c(C)c1C ZINC000826327732 607787731 /nfs/dbraw/zinc/78/77/31/607787731.db2.gz SJDGIMJYXWEIJE-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM Cc1nc(SCC(=O)N(C)c2ccccc2-c2nn[n-]n2)c(C#N)c(C)c1C ZINC000826327732 607787732 /nfs/dbraw/zinc/78/77/32/607787732.db2.gz SJDGIMJYXWEIJE-UHFFFAOYSA-N -1 3 393.476 2.814 20 30 GFEDHM C[C@@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CC1 ZINC000824034101 607831540 /nfs/dbraw/zinc/83/15/40/607831540.db2.gz GYOLAXIOTASPDB-LBPRGKRZSA-N -1 3 399.524 2.760 20 30 GFEDHM C[C@@H](C#N)CN(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CC1 ZINC000824034101 607831541 /nfs/dbraw/zinc/83/15/41/607831541.db2.gz GYOLAXIOTASPDB-LBPRGKRZSA-N -1 3 399.524 2.760 20 30 GFEDHM CCOc1ccc(C#N)cc1NCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825632116 607880572 /nfs/dbraw/zinc/88/05/72/607880572.db2.gz LKRIWZQAGVUACF-UHFFFAOYSA-N -1 3 378.392 2.536 20 30 GFEDHM CCOc1ccc(C#N)cc1NCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825632116 607880573 /nfs/dbraw/zinc/88/05/73/607880573.db2.gz LKRIWZQAGVUACF-UHFFFAOYSA-N -1 3 378.392 2.536 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cccc(C(=O)OC)c1C#N ZINC000825609043 607890241 /nfs/dbraw/zinc/89/02/41/607890241.db2.gz IRDATSOOMBVJLU-UHFFFAOYSA-N -1 3 379.376 2.503 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cccc(C(=O)OC)c1C#N ZINC000825609043 607890242 /nfs/dbraw/zinc/89/02/42/607890242.db2.gz IRDATSOOMBVJLU-UHFFFAOYSA-N -1 3 379.376 2.503 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000826400902 607916192 /nfs/dbraw/zinc/91/61/92/607916192.db2.gz KUGQSQYTSOHXOM-KRXBUXKQSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000826400902 607916193 /nfs/dbraw/zinc/91/61/93/607916193.db2.gz KUGQSQYTSOHXOM-KRXBUXKQSA-N -1 3 379.395 2.739 20 30 GFEDHM C=C(C)[C@@H](CC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)OCC ZINC000823874425 607923145 /nfs/dbraw/zinc/92/31/45/607923145.db2.gz WQMUOMOGQBZFDK-QGZVFWFLSA-N -1 3 397.435 2.708 20 30 GFEDHM C=C(C)[C@@H](CC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)OCC ZINC000823874425 607923146 /nfs/dbraw/zinc/92/31/46/607923146.db2.gz WQMUOMOGQBZFDK-QGZVFWFLSA-N -1 3 397.435 2.708 20 30 GFEDHM N#Cc1cnc2ccccc2c1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826387801 608052636 /nfs/dbraw/zinc/05/26/36/608052636.db2.gz RICWZDMHPIWLAZ-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM N#Cc1cnc2ccccc2c1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826387801 608052637 /nfs/dbraw/zinc/05/26/37/608052637.db2.gz RICWZDMHPIWLAZ-LJQANCHMSA-N -1 3 383.415 2.864 20 30 GFEDHM Clc1cccc(C#CCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826353191 608068886 /nfs/dbraw/zinc/06/88/86/608068886.db2.gz FNZKWCJBZSPMNK-LJQANCHMSA-N -1 3 379.851 2.945 20 30 GFEDHM Clc1cccc(C#CCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826353191 608068887 /nfs/dbraw/zinc/06/88/87/608068887.db2.gz FNZKWCJBZSPMNK-LJQANCHMSA-N -1 3 379.851 2.945 20 30 GFEDHM N#Cc1c(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn2ccccc12 ZINC000826383336 608071078 /nfs/dbraw/zinc/07/10/78/608071078.db2.gz VXRCLPRSKMYIMU-HXUWFJFHSA-N -1 3 385.431 2.565 20 30 GFEDHM N#Cc1c(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn2ccccc12 ZINC000826383336 608071079 /nfs/dbraw/zinc/07/10/79/608071079.db2.gz VXRCLPRSKMYIMU-HXUWFJFHSA-N -1 3 385.431 2.565 20 30 GFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000826162732 608135699 /nfs/dbraw/zinc/13/56/99/608135699.db2.gz PWVMRCPWGNCVSV-CQSZACIVSA-N -1 3 394.435 2.795 20 30 GFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000826162732 608135700 /nfs/dbraw/zinc/13/57/00/608135700.db2.gz PWVMRCPWGNCVSV-CQSZACIVSA-N -1 3 394.435 2.795 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)nc1 ZINC000826385764 608227230 /nfs/dbraw/zinc/22/72/30/608227230.db2.gz ZQHPLNPQBURINO-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)nc1 ZINC000826385764 608227232 /nfs/dbraw/zinc/22/72/32/608227232.db2.gz ZQHPLNPQBURINO-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1CON=CC(=O)Nc1ccccc1Cl ZINC000826173074 608323921 /nfs/dbraw/zinc/32/39/21/608323921.db2.gz MBFPNJRTDMUOBA-UHFFFAOYSA-N -1 3 386.799 2.670 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1CON=CC(=O)Nc1ccccc1Cl ZINC000826173074 608323923 /nfs/dbraw/zinc/32/39/23/608323923.db2.gz MBFPNJRTDMUOBA-UHFFFAOYSA-N -1 3 386.799 2.670 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c(OC)c1 ZINC000823937204 608434676 /nfs/dbraw/zinc/43/46/76/608434676.db2.gz MJFXEEKCTGYWQL-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM C=CCc1ccc(OCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c(OC)c1 ZINC000823937204 608434677 /nfs/dbraw/zinc/43/46/77/608434677.db2.gz MJFXEEKCTGYWQL-UHFFFAOYSA-N -1 3 398.394 2.865 20 30 GFEDHM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824047255 608465394 /nfs/dbraw/zinc/46/53/94/608465394.db2.gz ZFOGSNWTYPBBIF-HNNXBMFYSA-N -1 3 399.458 2.855 20 30 GFEDHM COc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1OC(F)F ZINC000826215279 608536022 /nfs/dbraw/zinc/53/60/22/608536022.db2.gz KQDZOLJVCIBIIZ-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM COc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1OC(F)F ZINC000826215279 608536023 /nfs/dbraw/zinc/53/60/23/608536023.db2.gz KQDZOLJVCIBIIZ-UHFFFAOYSA-N -1 3 395.757 2.971 20 30 GFEDHM Cn1c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)nc2cc(Cl)ccc21 ZINC000826355140 608541032 /nfs/dbraw/zinc/54/10/32/608541032.db2.gz LRYNJNLLDXCYRU-UHFFFAOYSA-N -1 3 388.222 2.901 20 30 GFEDHM Cn1c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)nc2cc(Cl)ccc21 ZINC000826355140 608541033 /nfs/dbraw/zinc/54/10/33/608541033.db2.gz LRYNJNLLDXCYRU-UHFFFAOYSA-N -1 3 388.222 2.901 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000825517815 608879501 /nfs/dbraw/zinc/87/95/01/608879501.db2.gz NQCBLEQJFRQUJA-VQHVLOKHSA-N -1 3 396.378 2.844 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000825517815 608879502 /nfs/dbraw/zinc/87/95/02/608879502.db2.gz NQCBLEQJFRQUJA-VQHVLOKHSA-N -1 3 396.378 2.844 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826380322 609141563 /nfs/dbraw/zinc/14/15/63/609141563.db2.gz VLIQVZWWYFPRPL-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826380322 609141564 /nfs/dbraw/zinc/14/15/64/609141564.db2.gz VLIQVZWWYFPRPL-LJQANCHMSA-N -1 3 395.417 2.527 20 30 GFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824034984 609226411 /nfs/dbraw/zinc/22/64/11/609226411.db2.gz RDSOTFNYVFSUNP-SJKOYZFVSA-N -1 3 394.460 2.791 20 30 GFEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824034984 609226413 /nfs/dbraw/zinc/22/64/13/609226413.db2.gz RDSOTFNYVFSUNP-SJKOYZFVSA-N -1 3 394.460 2.791 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cs1)C1CC1 ZINC000823967844 609271189 /nfs/dbraw/zinc/27/11/89/609271189.db2.gz QTDGSXMFAAMAFA-XVNBXDOJSA-N -1 3 398.423 2.874 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cs1)C1CC1 ZINC000823967844 609271190 /nfs/dbraw/zinc/27/11/90/609271190.db2.gz QTDGSXMFAAMAFA-XVNBXDOJSA-N -1 3 398.423 2.874 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826103400 609271646 /nfs/dbraw/zinc/27/16/46/609271646.db2.gz FZYMFUDKTZCKEJ-DJTWPOEFSA-N -1 3 396.378 2.842 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826103400 609271648 /nfs/dbraw/zinc/27/16/48/609271648.db2.gz FZYMFUDKTZCKEJ-DJTWPOEFSA-N -1 3 396.378 2.842 20 30 GFEDHM C=CC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC000823888773 609362180 /nfs/dbraw/zinc/36/21/80/609362180.db2.gz WFMDVQWKYADXBN-UHFFFAOYSA-N -1 3 382.403 2.621 20 30 GFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000826272139 609432879 /nfs/dbraw/zinc/43/28/79/609432879.db2.gz WCDLSHPWPNTDHM-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824035218 609504259 /nfs/dbraw/zinc/50/42/59/609504259.db2.gz UPESJMINLIKVIA-CHWSQXEVSA-N -1 3 377.408 2.597 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1N[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824035218 609504260 /nfs/dbraw/zinc/50/42/60/609504260.db2.gz UPESJMINLIKVIA-CHWSQXEVSA-N -1 3 377.408 2.597 20 30 GFEDHM Cc1sc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826349466 609509187 /nfs/dbraw/zinc/50/91/87/609509187.db2.gz IPDJCALBEKYRLW-QGZVFWFLSA-N -1 3 390.469 2.745 20 30 GFEDHM Cc1sc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826349466 609509189 /nfs/dbraw/zinc/50/91/89/609509189.db2.gz IPDJCALBEKYRLW-QGZVFWFLSA-N -1 3 390.469 2.745 20 30 GFEDHM N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1Cl ZINC000826385539 609575410 /nfs/dbraw/zinc/57/54/10/609575410.db2.gz QFGWNSGROZMQPT-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1Cl ZINC000826385539 609575412 /nfs/dbraw/zinc/57/54/12/609575412.db2.gz QFGWNSGROZMQPT-QGZVFWFLSA-N -1 3 393.838 2.999 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CC(C#N)C2)c(Cl)cc1Cl ZINC000817555196 660200376 /nfs/dbraw/zinc/20/03/76/660200376.db2.gz YSCLRYPIADSNFB-UHFFFAOYSA-N -1 3 390.292 2.523 20 30 GFEDHM O=C(CCc1cc(C(F)(F)F)ccc1Br)N[C@H]1CCN([O-])C1=O ZINC000820137571 660282674 /nfs/dbraw/zinc/28/26/74/660282674.db2.gz PYKIFCODXGJKLJ-NSHDSACASA-N -1 3 395.175 2.507 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 ZINC000122332075 654734232 /nfs/dbraw/zinc/73/42/32/654734232.db2.gz PERKORWWGLAWJH-CQSZACIVSA-N -1 3 375.475 2.654 20 30 GFEDHM C[C@@]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000125640553 654800318 /nfs/dbraw/zinc/80/03/18/654800318.db2.gz HEHRFBQRZVKTML-INIZCTEOSA-N -1 3 398.271 2.544 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](SC)C2)ccc1F ZINC000117214186 655261256 /nfs/dbraw/zinc/26/12/56/655261256.db2.gz GBIMGVLEVJYKRE-ZIAGYGMSSA-N -1 3 386.514 2.694 20 30 GFEDHM CCS(=O)(=O)c1cc(Cl)cc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000840709824 661177577 /nfs/dbraw/zinc/17/75/77/661177577.db2.gz GIGZNAOTIUTUBH-OCKHKDLRSA-N -1 3 382.869 2.654 20 30 GFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1c(Cl)nc2sccn21 ZINC000743448734 655729266 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C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C1CCOCC1 ZINC000851828459 661835769 /nfs/dbraw/zinc/83/57/69/661835769.db2.gz PUOUIBQFKWWBJI-CQSZACIVSA-N -1 3 390.274 2.603 20 30 GFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000856200978 662024402 /nfs/dbraw/zinc/02/44/02/662024402.db2.gz YACUXDYIBMZLPU-MCIONIFRSA-N -1 3 383.901 2.502 20 30 GFEDHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000882783470 663041884 /nfs/dbraw/zinc/04/18/84/663041884.db2.gz ZVRLCDBRXQUVLY-SSDOTTSWSA-N -1 3 377.322 2.536 20 30 GFEDHM COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000921852817 664572451 /nfs/dbraw/zinc/57/24/51/664572451.db2.gz BSZWJVQTLZMXHM-CYBMUJFWSA-N -1 3 378.372 2.533 20 30 GFEDHM C#CCSCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000151725019 677403781 /nfs/dbraw/zinc/40/37/81/677403781.db2.gz LHOQCOFRBVUSMO-UHFFFAOYSA-N -1 3 398.731 2.756 20 30 GFEDHM C=CCN(CC=C)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000045169124 212042649 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CCN(C[C@H](C)C#N)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000160406442 551579982 /nfs/dbraw/zinc/57/99/82/551579982.db2.gz NHODVDWYLKKPKN-GFCCVEGCSA-N -1 3 397.547 2.910 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1 ZINC000178526072 552171736 /nfs/dbraw/zinc/17/17/36/552171736.db2.gz FKKUQGMTYFIVBF-UHFFFAOYSA-N -1 3 381.807 2.517 20 30 GFEDHM C=CCCC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000181425680 552256534 /nfs/dbraw/zinc/25/65/34/552256534.db2.gz ITOZOIDZHFKCBD-LLVKDONJSA-N -1 3 379.935 2.724 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNC(=O)CC2CCCCC2)c1 ZINC000184294069 552331750 /nfs/dbraw/zinc/33/17/50/552331750.db2.gz AMNSXWLKWHXKED-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c1 ZINC000186126997 552380091 /nfs/dbraw/zinc/38/00/91/552380091.db2.gz KYMRLHYITVXACM-UHFFFAOYSA-N -1 3 380.813 2.510 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188552304 552448283 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C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCN(CC(F)(F)F)CC1 ZINC000330399365 563504165 /nfs/dbraw/zinc/50/41/65/563504165.db2.gz DAKGOAIVYIIYKU-SNVBAGLBSA-N -1 3 381.445 2.561 20 30 GFEDHM N#Cc1ccc(OC2CN(C(=O)Cc3ccc(Br)cc3[O-])C2)cc1 ZINC000433389419 563611244 /nfs/dbraw/zinc/61/12/44/563611244.db2.gz XDGQPRFMOBGCEH-UHFFFAOYSA-N -1 3 387.233 2.859 20 30 GFEDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2ccc(C#N)s2)c([N+](=O)[O-])c1 ZINC000435434220 563650284 /nfs/dbraw/zinc/65/02/84/563650284.db2.gz WQRRJGSCHJDRFM-UHFFFAOYSA-N -1 3 380.451 2.617 20 30 GFEDHM N#Cc1csc(C(=O)Nc2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)c1 ZINC000438547397 563707259 /nfs/dbraw/zinc/70/72/59/563707259.db2.gz PGUWWEPYHBWPSQ-UHFFFAOYSA-N -1 3 389.380 2.713 20 30 GFEDHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000442849271 563782058 /nfs/dbraw/zinc/78/20/58/563782058.db2.gz UDCFPMXIRZKZLB-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(N2CCSCC2)CCCC1 ZINC000443090521 563790830 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COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000508084968 564252525 /nfs/dbraw/zinc/25/25/25/564252525.db2.gz NOHAVGXGWYGPQC-GFCCVEGCSA-N -1 3 381.679 2.700 20 30 GFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000451237780 564290495 /nfs/dbraw/zinc/29/04/95/564290495.db2.gz BSJLUVDNXQLSAC-AWEZNQCLSA-N -1 3 383.901 2.695 20 30 GFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)OCC ZINC000452026156 564383593 /nfs/dbraw/zinc/38/35/93/564383593.db2.gz XQCHYMRUPNOWOK-SECBINFHSA-N -1 3 382.301 2.687 20 30 GFEDHM Cc1nc([C@H]([N-]S(=O)(=O)CC2(CC#N)CC2)c2ccc(Cl)cc2)no1 ZINC000567842095 564392020 /nfs/dbraw/zinc/39/20/20/564392020.db2.gz MWFRZKQFMVKBKM-CQSZACIVSA-N -1 3 380.857 2.734 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000571067627 564534711 /nfs/dbraw/zinc/53/47/11/564534711.db2.gz WIOCQRBXQKDTGV-UHFFFAOYSA-N -1 3 397.225 2.621 20 30 GFEDHM N#CCCn1ncc(C(=O)N=c2[nH][n-]cc2Br)c1-c1ccccc1 ZINC000552274140 564684814 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Cc1ncc(S(=O)(=O)[N-]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000532859156 564948164 /nfs/dbraw/zinc/94/81/64/564948164.db2.gz QZCPGAUDPMNNFT-UHFFFAOYSA-N -1 3 377.491 2.992 20 30 GFEDHM N#Cc1ncn(-c2ccccc2NC(=O)Cc2ccc(Br)cc2[O-])n1 ZINC000560784072 564976087 /nfs/dbraw/zinc/97/60/87/564976087.db2.gz RVHRAJDJHXANEJ-UHFFFAOYSA-N -1 3 398.220 2.788 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CO)CC2(CCC2)C1 ZINC000561124155 564984670 /nfs/dbraw/zinc/98/46/70/564984670.db2.gz CPQIMSMUQVWTEL-UHFFFAOYSA-N -1 3 399.310 2.542 20 30 GFEDHM CN(CC[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccccc1 ZINC000561478002 564996293 /nfs/dbraw/zinc/99/62/93/564996293.db2.gz ZFHWJLVTYUYAOH-UHFFFAOYSA-N -1 3 394.294 2.735 20 30 GFEDHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C#N)C(C)C)cc1Cl ZINC000468986762 565001685 /nfs/dbraw/zinc/00/16/85/565001685.db2.gz PVGKCYOWVYCRCO-SNVBAGLBSA-N -1 3 381.679 2.938 20 30 GFEDHM CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503451725 565020368 /nfs/dbraw/zinc/02/03/68/565020368.db2.gz BZUONUUJALMIGT-UONOGXRCSA-N -1 3 383.901 2.573 20 30 GFEDHM CCOc1ccc(C#N)cc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000504046401 565033605 /nfs/dbraw/zinc/03/36/05/565033605.db2.gz UKNGWVVODUFMPA-UHFFFAOYSA-N -1 3 399.881 2.589 20 30 GFEDHM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1ccsc1C#N)O[C@@H](C)C2 ZINC000593525560 565337871 /nfs/dbraw/zinc/33/78/71/565337871.db2.gz HQGOKSITRZJJCA-NSHDSACASA-N -1 3 378.475 2.820 20 30 GFEDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2ccsc2C#N)c([N+](=O)[O-])c1 ZINC000593557688 565340230 /nfs/dbraw/zinc/34/02/30/565340230.db2.gz PNTYPDSYGQQDLH-UHFFFAOYSA-N -1 3 380.451 2.617 20 30 GFEDHM C[C@](CO)([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000619547691 565348196 /nfs/dbraw/zinc/34/81/96/565348196.db2.gz OLSCFTKKDIOJQE-CQSZACIVSA-N -1 3 390.408 2.825 20 30 GFEDHM COC1(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCOCC1 ZINC000594776661 565419459 /nfs/dbraw/zinc/41/94/59/565419459.db2.gz RFEXVFLEJNNELY-UHFFFAOYSA-N -1 3 380.491 2.555 20 30 GFEDHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594788141 565420489 /nfs/dbraw/zinc/42/04/89/565420489.db2.gz FQLSGOMKVZPPQK-GFCCVEGCSA-N -1 3 375.416 2.728 20 30 GFEDHM N#CCC1CN(C(=O)c2sccc2S(=O)(=O)[N-]C2CCCCCC2)C1 ZINC000598035194 565589987 /nfs/dbraw/zinc/58/99/87/565589987.db2.gz FYCWNSSIFIIKMW-UHFFFAOYSA-N -1 3 381.523 2.735 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599503078 565685459 /nfs/dbraw/zinc/68/54/59/565685459.db2.gz RVNVWSCVNCWUJE-UHFFFAOYSA-N -1 3 377.344 2.867 20 30 GFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000600667863 565744546 /nfs/dbraw/zinc/74/45/46/565744546.db2.gz FFJSPHDHMWGZDO-GFCCVEGCSA-N -1 3 381.292 2.820 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735387599 598849440 /nfs/dbraw/zinc/84/94/40/598849440.db2.gz AVQBFCTTYWWFMB-UHFFFAOYSA-N -1 3 393.472 2.542 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735387599 598849441 /nfs/dbraw/zinc/84/94/41/598849441.db2.gz AVQBFCTTYWWFMB-UHFFFAOYSA-N -1 3 393.472 2.542 20 30 GFEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCc1ccc(C#N)cc1 ZINC000736038522 598884165 /nfs/dbraw/zinc/88/41/65/598884165.db2.gz VRCLTQQBBFYOBN-AWEZNQCLSA-N -1 3 377.404 2.682 20 30 GFEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCc1ccc(C#N)cc1 ZINC000736038522 598884167 /nfs/dbraw/zinc/88/41/67/598884167.db2.gz VRCLTQQBBFYOBN-AWEZNQCLSA-N -1 3 377.404 2.682 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736037419 598884259 /nfs/dbraw/zinc/88/42/59/598884259.db2.gz GTDSIZWPOFRTAR-ZIAGYGMSSA-N -1 3 393.403 2.516 20 30 GFEDHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2)n1 ZINC000737254897 598913690 /nfs/dbraw/zinc/91/36/90/598913690.db2.gz BERGXNANTKBNTH-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2)n1 ZINC000737254897 598913691 /nfs/dbraw/zinc/91/36/91/598913691.db2.gz BERGXNANTKBNTH-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM COc1ccc(Br)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737065748 598918149 /nfs/dbraw/zinc/91/81/49/598918149.db2.gz NFBKDEXCNNLSLY-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1ccc(Br)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737065748 598918151 /nfs/dbraw/zinc/91/81/51/598918151.db2.gz NFBKDEXCNNLSLY-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM CC(=NNCc1ccc(C#N)cc1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819772729 607253789 /nfs/dbraw/zinc/25/37/89/607253789.db2.gz KEGJQTMIYMTOTG-UHFFFAOYSA-N -1 3 397.446 2.746 20 30 GFEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963630 599028744 /nfs/dbraw/zinc/02/87/44/599028744.db2.gz IQFSEJCFVDMSOV-CQSZACIVSA-N -1 3 376.420 2.820 20 30 GFEDHM C=CCOCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819758672 599140877 /nfs/dbraw/zinc/14/08/77/599140877.db2.gz FJQGEVFOQBNJGV-UHFFFAOYSA-N -1 3 380.408 2.975 20 30 GFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735580750 599196899 /nfs/dbraw/zinc/19/68/99/599196899.db2.gz IAOLUYQSMGZMLZ-UHFFFAOYSA-N -1 3 377.364 2.563 20 30 GFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735580750 599196900 /nfs/dbraw/zinc/19/69/00/599196900.db2.gz IAOLUYQSMGZMLZ-UHFFFAOYSA-N -1 3 377.364 2.563 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1-c1nnn[n-]1 ZINC000737718094 599198827 /nfs/dbraw/zinc/19/88/27/599198827.db2.gz FCJWAMDECYGEHI-UHFFFAOYSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCOCC3)cc2)cc1-c1nn[n-]n1 ZINC000737718094 599198830 /nfs/dbraw/zinc/19/88/30/599198830.db2.gz FCJWAMDECYGEHI-UHFFFAOYSA-N -1 3 390.403 2.548 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1-c1nnn[n-]1 ZINC000737718061 599200790 /nfs/dbraw/zinc/20/07/90/599200790.db2.gz DROABNKRULOEKU-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1-c1nn[n-]n1 ZINC000737718061 599200792 /nfs/dbraw/zinc/20/07/92/599200792.db2.gz DROABNKRULOEKU-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000737033413 599202738 /nfs/dbraw/zinc/20/27/38/599202738.db2.gz OOEKHCLTKBFDDJ-JLTOFOAXSA-N -1 3 398.467 2.623 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000737033413 599202741 /nfs/dbraw/zinc/20/27/41/599202741.db2.gz OOEKHCLTKBFDDJ-JLTOFOAXSA-N -1 3 398.467 2.623 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735409792 599217846 /nfs/dbraw/zinc/21/78/46/599217846.db2.gz LGVYXSYKIHYOOO-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735409792 599217848 /nfs/dbraw/zinc/21/78/48/599217848.db2.gz LGVYXSYKIHYOOO-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375280 599228460 /nfs/dbraw/zinc/22/84/60/599228460.db2.gz WUKNDUUOZHISNZ-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM N#Cc1cnc2ccccc2c1OCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737728460 598309104 /nfs/dbraw/zinc/30/91/04/598309104.db2.gz OUPILOFVZAIHCI-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM N#Cc1cnc2ccccc2c1OCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737728460 598309105 /nfs/dbraw/zinc/30/91/05/598309105.db2.gz OUPILOFVZAIHCI-UHFFFAOYSA-N -1 3 386.371 2.522 20 30 GFEDHM C=CCc1ccc(OCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000735442986 598310489 /nfs/dbraw/zinc/31/04/89/598310489.db2.gz LUAUJHZGMGRKBR-UHFFFAOYSA-N -1 3 397.410 2.785 20 30 GFEDHM C=CCc1ccc(OCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000735442986 598310490 /nfs/dbraw/zinc/31/04/90/598310490.db2.gz LUAUJHZGMGRKBR-UHFFFAOYSA-N -1 3 397.410 2.785 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735387620 598366112 /nfs/dbraw/zinc/36/61/12/598366112.db2.gz BZDMMRGFSRIQRD-UHFFFAOYSA-N -1 3 397.442 2.935 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735387620 598366114 /nfs/dbraw/zinc/36/61/14/598366114.db2.gz BZDMMRGFSRIQRD-UHFFFAOYSA-N -1 3 397.442 2.935 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)cc(OC)c1O ZINC000735421046 598408318 /nfs/dbraw/zinc/40/83/18/598408318.db2.gz XAYXQSOONSSRNI-UHFFFAOYSA-N -1 3 379.420 2.718 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)cc(OC)c1O ZINC000735421046 598408319 /nfs/dbraw/zinc/40/83/19/598408319.db2.gz XAYXQSOONSSRNI-UHFFFAOYSA-N -1 3 379.420 2.718 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](COC)c1ccccc1 ZINC000735420055 598429312 /nfs/dbraw/zinc/42/93/12/598429312.db2.gz MGJYBXICUWHKHE-IBGZPJMESA-N -1 3 392.463 2.952 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](COC)c1ccccc1 ZINC000735420055 598429314 /nfs/dbraw/zinc/42/93/14/598429314.db2.gz MGJYBXICUWHKHE-IBGZPJMESA-N -1 3 392.463 2.952 20 30 GFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736102077 598576894 /nfs/dbraw/zinc/57/68/94/598576894.db2.gz QQPTVYRZSNIZNS-KUHUBIRLSA-N -1 3 387.447 2.585 20 30 GFEDHM N#CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCOCC1 ZINC000737679203 598582173 /nfs/dbraw/zinc/58/21/73/598582173.db2.gz NXOFEGLBRDVUCB-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM N#CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCOCC1 ZINC000737679203 598582174 /nfs/dbraw/zinc/58/21/74/598582174.db2.gz NXOFEGLBRDVUCB-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1cccc(C#N)c1 ZINC000819740110 607363851 /nfs/dbraw/zinc/36/38/51/607363851.db2.gz PHNQPJYICMFELM-UHFFFAOYSA-N -1 3 391.435 2.575 20 30 GFEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735429572 598712166 /nfs/dbraw/zinc/71/21/66/598712166.db2.gz VIILLTOJGYMNDJ-ZDUSSCGKSA-N -1 3 393.403 2.507 20 30 GFEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735429572 598712168 /nfs/dbraw/zinc/71/21/68/598712168.db2.gz VIILLTOJGYMNDJ-ZDUSSCGKSA-N -1 3 393.403 2.507 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735436994 598716594 /nfs/dbraw/zinc/71/65/94/598716594.db2.gz VMTRMLYXOFCZNS-UHFFFAOYSA-N -1 3 382.399 2.570 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735436994 598716597 /nfs/dbraw/zinc/71/65/97/598716597.db2.gz VMTRMLYXOFCZNS-UHFFFAOYSA-N -1 3 382.399 2.570 20 30 GFEDHM C[C@H](Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C(=O)N(C)CCC#N ZINC000736137698 598786659 /nfs/dbraw/zinc/78/66/59/598786659.db2.gz LWAQOPYWZSELHY-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM C[C@H](Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)N(C)CCC#N ZINC000736137698 598786662 /nfs/dbraw/zinc/78/66/62/598786662.db2.gz LWAQOPYWZSELHY-AWEZNQCLSA-N -1 3 391.435 2.831 20 30 GFEDHM N#Cc1ccc(Cl)cc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737717474 599426430 /nfs/dbraw/zinc/42/64/30/599426430.db2.gz DKHNEENNRAQDDQ-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2cc(-c3nn[n-]n3)ccc2OC)n1 ZINC000821343921 607376887 /nfs/dbraw/zinc/37/68/87/607376887.db2.gz ZKIQEMSEANLQET-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819758830 599437830 /nfs/dbraw/zinc/43/78/30/599437830.db2.gz IDSFJOUUVZTDKR-CQSZACIVSA-N -1 3 378.436 2.992 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819758830 599437831 /nfs/dbraw/zinc/43/78/31/599437831.db2.gz IDSFJOUUVZTDKR-CQSZACIVSA-N -1 3 378.436 2.992 20 30 GFEDHM Clc1nc2ccccn2c1C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737585074 599475904 /nfs/dbraw/zinc/47/59/04/599475904.db2.gz YETYTGRBIHEOEV-UHFFFAOYSA-N -1 3 397.826 2.987 20 30 GFEDHM N#CCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000822815407 599522997 /nfs/dbraw/zinc/52/29/97/599522997.db2.gz QZUPFLYOINNDTH-UHFFFAOYSA-N -1 3 393.357 2.629 20 30 GFEDHM N#CCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000822815407 599523001 /nfs/dbraw/zinc/52/30/01/599523001.db2.gz QZUPFLYOINNDTH-UHFFFAOYSA-N -1 3 393.357 2.629 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CC)CCOCC1 ZINC000819743414 599682623 /nfs/dbraw/zinc/68/26/23/599682623.db2.gz IPXIXHOHYCFWDZ-UHFFFAOYSA-N -1 3 384.484 2.771 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CC)CCOCC1 ZINC000819743414 599682624 /nfs/dbraw/zinc/68/26/24/599682624.db2.gz IPXIXHOHYCFWDZ-UHFFFAOYSA-N -1 3 384.484 2.771 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl ZINC000826243764 607399301 /nfs/dbraw/zinc/39/93/01/607399301.db2.gz UVGIUNJRHIIXRZ-ZDUSSCGKSA-N -1 3 380.795 2.790 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CSCc1ccc(C#N)cc1 ZINC000821741572 607413416 /nfs/dbraw/zinc/41/34/16/607413416.db2.gz PKHOWZGXCMHHKC-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CSCc1ccc(C#N)cc1 ZINC000821741572 607413417 /nfs/dbraw/zinc/41/34/17/607413417.db2.gz PKHOWZGXCMHHKC-UHFFFAOYSA-N -1 3 395.444 2.724 20 30 GFEDHM CON=Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000821697819 607448178 /nfs/dbraw/zinc/44/81/78/607448178.db2.gz SOIVWPWUPUUYEY-UHFFFAOYSA-N -1 3 380.408 2.887 20 30 GFEDHM CON=Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000821697819 607448180 /nfs/dbraw/zinc/44/81/80/607448180.db2.gz SOIVWPWUPUUYEY-UHFFFAOYSA-N -1 3 380.408 2.887 20 30 GFEDHM Cc1ccc(C(=O)NC2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)s1 ZINC000738515445 600566495 /nfs/dbraw/zinc/56/64/95/600566495.db2.gz RIQHWYWVKLRFIL-GOSISDBHSA-N -1 3 383.473 2.948 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922694 607458860 /nfs/dbraw/zinc/45/88/60/607458860.db2.gz IOPNYIYZGLFFLB-GQCTYLIASA-N -1 3 397.385 2.878 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922694 607458863 /nfs/dbraw/zinc/45/88/63/607458863.db2.gz IOPNYIYZGLFFLB-GQCTYLIASA-N -1 3 397.385 2.878 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1NC(C)=O ZINC000821769395 607459433 /nfs/dbraw/zinc/45/94/33/607459433.db2.gz HGRBZNPXFRGTSG-ALCCZGGFSA-N -1 3 381.367 2.869 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1NC(C)=O ZINC000821769395 607459436 /nfs/dbraw/zinc/45/94/36/607459436.db2.gz HGRBZNPXFRGTSG-ALCCZGGFSA-N -1 3 381.367 2.869 20 30 GFEDHM N#Cc1cnc2ccccc2c1N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000740322088 602260608 /nfs/dbraw/zinc/26/06/08/602260608.db2.gz NRKFKPFTYMVIKQ-UHFFFAOYSA-N -1 3 379.464 2.618 20 30 GFEDHM CN(CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000739659767 602380801 /nfs/dbraw/zinc/38/08/01/602380801.db2.gz KYDBSNHRUNDPLP-CQSZACIVSA-N -1 3 386.477 2.794 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000738485756 602680260 /nfs/dbraw/zinc/68/02/60/602680260.db2.gz QMSCLVUBDAJMKF-AEFFLSMTSA-N -1 3 378.517 2.591 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825390211 607590461 /nfs/dbraw/zinc/59/04/61/607590461.db2.gz AXWRCUGNSHRPBQ-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825390211 607590462 /nfs/dbraw/zinc/59/04/62/607590462.db2.gz AXWRCUGNSHRPBQ-AWEZNQCLSA-N -1 3 396.476 2.819 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826243163 607648880 /nfs/dbraw/zinc/64/88/80/607648880.db2.gz XEQZXVFWTWVLNF-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826243163 607648881 /nfs/dbraw/zinc/64/88/81/607648881.db2.gz XEQZXVFWTWVLNF-UHFFFAOYSA-N -1 3 389.824 2.776 20 30 GFEDHM N#CC(C(=O)c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2[nH]1 ZINC000833961216 605583417 /nfs/dbraw/zinc/58/34/17/605583417.db2.gz PKPIRFGYIHLEAB-UONOGXRCSA-N -1 3 378.392 2.564 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000822922345 606393053 /nfs/dbraw/zinc/39/30/53/606393053.db2.gz FSSXAJHXJOVSFD-CLTKARDFSA-N -1 3 396.400 2.821 20 30 GFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000819975936 606655426 /nfs/dbraw/zinc/65/54/26/606655426.db2.gz FVIDTGMLDJVIBT-UHFFFAOYSA-N -1 3 393.455 2.766 20 30 GFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000819975936 606655427 /nfs/dbraw/zinc/65/54/27/606655427.db2.gz FVIDTGMLDJVIBT-UHFFFAOYSA-N -1 3 393.455 2.766 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820220236 606655533 /nfs/dbraw/zinc/65/55/33/606655533.db2.gz PDYHSYSEKGWCSS-NSHDSACASA-N -1 3 382.453 2.680 20 30 GFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820220236 606655534 /nfs/dbraw/zinc/65/55/34/606655534.db2.gz PDYHSYSEKGWCSS-NSHDSACASA-N -1 3 382.453 2.680 20 30 GFEDHM Cc1nc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)sc1SCC#N ZINC000822449675 606672982 /nfs/dbraw/zinc/67/29/82/606672982.db2.gz JSFNATBCFSLLGB-UHFFFAOYSA-N -1 3 393.404 2.778 20 30 GFEDHM Cc1nc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)sc1SCC#N ZINC000822449675 606672983 /nfs/dbraw/zinc/67/29/83/606672983.db2.gz JSFNATBCFSLLGB-UHFFFAOYSA-N -1 3 393.404 2.778 20 30 GFEDHM CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000819772376 606838990 /nfs/dbraw/zinc/83/89/90/606838990.db2.gz DQTNHBCGRCQJGZ-UHFFFAOYSA-N -1 3 397.389 2.873 20 30 GFEDHM CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000819772376 606838991 /nfs/dbraw/zinc/83/89/91/606838991.db2.gz DQTNHBCGRCQJGZ-UHFFFAOYSA-N -1 3 397.389 2.873 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821640667 606931310 /nfs/dbraw/zinc/93/13/10/606931310.db2.gz MIKCKVROLMSVII-XLVZXTRVSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821640667 606931311 /nfs/dbraw/zinc/93/13/11/606931311.db2.gz MIKCKVROLMSVII-XLVZXTRVSA-N -1 3 378.388 2.703 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCOc1cccc(C#N)c1 ZINC000820549109 606944678 /nfs/dbraw/zinc/94/46/78/606944678.db2.gz KIQNQXSAVSBZQU-AWEZNQCLSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCOc1cccc(C#N)c1 ZINC000820549109 606944679 /nfs/dbraw/zinc/94/46/79/606944679.db2.gz KIQNQXSAVSBZQU-AWEZNQCLSA-N -1 3 393.403 2.518 20 30 GFEDHM C#CCCCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819692337 606955172 /nfs/dbraw/zinc/95/51/72/606955172.db2.gz CWZPRMKUIYCVAJ-UHFFFAOYSA-N -1 3 375.432 2.979 20 30 GFEDHM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nnn[n-]4)s3)C2=O)s1 ZINC000822825424 607098819 /nfs/dbraw/zinc/09/88/19/607098819.db2.gz FGAALPWCAGNKPV-NJWBCTSZSA-N -1 3 381.442 2.928 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000821293594 607099218 /nfs/dbraw/zinc/09/92/18/607099218.db2.gz LNLNLLDZAFOUQN-LBPRGKRZSA-N -1 3 377.408 2.576 20 30 GFEDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000822419607 607238439 /nfs/dbraw/zinc/23/84/39/607238439.db2.gz ROYMLXJZZPLAOL-UHFFFAOYSA-N -1 3 382.387 2.756 20 30 GFEDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000822419607 607238440 /nfs/dbraw/zinc/23/84/40/607238440.db2.gz ROYMLXJZZPLAOL-UHFFFAOYSA-N -1 3 382.387 2.756 20 30 GFEDHM Fc1ccc(-n2cc(C=NNc3ccc(-c4nn[n-]n4)cc3)nn2)c(Cl)c1 ZINC000826373732 607886309 /nfs/dbraw/zinc/88/63/09/607886309.db2.gz XQICFNLBSDNZNS-UHFFFAOYSA-N -1 3 383.778 2.686 20 30 GFEDHM C#CCNC(=S)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000823849937 607966869 /nfs/dbraw/zinc/96/68/69/607966869.db2.gz DGOGKBJYPDFZFS-UHFFFAOYSA-N -1 3 380.433 2.587 20 30 GFEDHM C#CCNC(=S)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000823849937 607966870 /nfs/dbraw/zinc/96/68/70/607966870.db2.gz DGOGKBJYPDFZFS-UHFFFAOYSA-N -1 3 380.433 2.587 20 30 GFEDHM COc1ccc(CON=C(C)c2ccc(NC(C)=O)cc2)cc1-c1nnn[n-]1 ZINC000826206764 607971998 /nfs/dbraw/zinc/97/19/98/607971998.db2.gz KHXZETLLCTXIRO-UHFFFAOYSA-N -1 3 380.408 2.775 20 30 GFEDHM COc1ccc(CON=C(C)c2ccc(NC(C)=O)cc2)cc1-c1nn[n-]n1 ZINC000826206764 607971999 /nfs/dbraw/zinc/97/19/99/607971999.db2.gz KHXZETLLCTXIRO-UHFFFAOYSA-N -1 3 380.408 2.775 20 30 GFEDHM C=C[C@H](CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883300 607980920 /nfs/dbraw/zinc/98/09/20/607980920.db2.gz NVTKLSVHGBAIIT-KUHUBIRLSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@H](CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883300 607980921 /nfs/dbraw/zinc/98/09/21/607980921.db2.gz NVTKLSVHGBAIIT-KUHUBIRLSA-N -1 3 392.415 2.984 20 30 GFEDHM N#CCOc1cccc(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)c1 ZINC000826382308 608024633 /nfs/dbraw/zinc/02/46/33/608024633.db2.gz XULCKSUDPNKBGE-UHFFFAOYSA-N -1 3 394.460 2.891 20 30 GFEDHM N#CCOc1cccc(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c1 ZINC000826382308 608024634 /nfs/dbraw/zinc/02/46/34/608024634.db2.gz XULCKSUDPNKBGE-UHFFFAOYSA-N -1 3 394.460 2.891 20 30 GFEDHM N#Cc1cccc([C@H]2CN(Cc3cn4ccccc4c3-c3nnn[n-]3)CCO2)c1 ZINC000826386651 608071170 /nfs/dbraw/zinc/07/11/70/608071170.db2.gz NEDRMFCKQCVUKW-LJQANCHMSA-N -1 3 385.431 2.565 20 30 GFEDHM N#Cc1cccc([C@H]2CN(Cc3cn4ccccc4c3-c3nn[n-]n3)CCO2)c1 ZINC000826386651 608071171 /nfs/dbraw/zinc/07/11/71/608071171.db2.gz NEDRMFCKQCVUKW-LJQANCHMSA-N -1 3 385.431 2.565 20 30 GFEDHM C=C(Br)CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823873120 608399524 /nfs/dbraw/zinc/39/95/24/608399524.db2.gz IYWBYHJKGJPIRS-UHFFFAOYSA-N -1 3 389.257 2.574 20 30 GFEDHM C=C(Br)CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823873120 608399525 /nfs/dbraw/zinc/39/95/25/608399525.db2.gz IYWBYHJKGJPIRS-UHFFFAOYSA-N -1 3 389.257 2.574 20 30 GFEDHM C=CCCOCCCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823899004 608588629 /nfs/dbraw/zinc/58/86/29/608588629.db2.gz HOKGMHKAYWANDH-UHFFFAOYSA-N -1 3 399.495 3.000 20 30 GFEDHM N#CCc1ccccc1CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826382445 609240916 /nfs/dbraw/zinc/24/09/16/609240916.db2.gz FJKKWJPFFPWFKE-UHFFFAOYSA-N -1 3 384.443 2.791 20 30 GFEDHM N#CCc1ccccc1CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826382445 609240917 /nfs/dbraw/zinc/24/09/17/609240917.db2.gz FJKKWJPFFPWFKE-UHFFFAOYSA-N -1 3 384.443 2.791 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000823974746 609405333 /nfs/dbraw/zinc/40/53/33/609405333.db2.gz RDXXXVDZDAZHBH-LZYBPNLTSA-N -1 3 377.379 2.634 20 30 GFEDHM CC(=O)N1Cc2ccccc2C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000823974746 609405334 /nfs/dbraw/zinc/40/53/34/609405334.db2.gz RDXXXVDZDAZHBH-LZYBPNLTSA-N -1 3 377.379 2.634 20 30 GFEDHM COc1cc(OC)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000826181283 609474082 /nfs/dbraw/zinc/47/40/82/609474082.db2.gz SRBIPVUQXXJPKD-UHFFFAOYSA-N -1 3 388.815 2.992 20 30 GFEDHM COc1cc(OC)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000826181283 609474084 /nfs/dbraw/zinc/47/40/84/609474084.db2.gz SRBIPVUQXXJPKD-UHFFFAOYSA-N -1 3 388.815 2.992 20 30 GFEDHM C#CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C1CCCCC1 ZINC000823844950 609540284 /nfs/dbraw/zinc/54/02/84/609540284.db2.gz LIYLVUUFYODLQZ-UHFFFAOYSA-N -1 3 389.463 2.769 20 30 GFEDHM C#CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C1CCCCC1 ZINC000823844950 609540286 /nfs/dbraw/zinc/54/02/86/609540286.db2.gz LIYLVUUFYODLQZ-UHFFFAOYSA-N -1 3 389.463 2.769 20 30 GFEDHM Cc1c(Cl)cnc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1C#N ZINC000826239135 609547394 /nfs/dbraw/zinc/54/73/94/609547394.db2.gz YONDATITJWKTNU-UHFFFAOYSA-N -1 3 395.858 2.571 20 30 GFEDHM Cc1c(Cl)cnc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1C#N ZINC000826239135 609547399 /nfs/dbraw/zinc/54/73/99/609547399.db2.gz YONDATITJWKTNU-UHFFFAOYSA-N -1 3 395.858 2.571 20 30 GFEDHM NC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000826388287 660454243 /nfs/dbraw/zinc/45/42/43/660454243.db2.gz QGMKBHMMRXZUFD-UHFFFAOYSA-N -1 3 391.204 2.605 20 30 GFEDHM NC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000826388287 660454244 /nfs/dbraw/zinc/45/42/44/660454244.db2.gz QGMKBHMMRXZUFD-UHFFFAOYSA-N -1 3 391.204 2.605 20 30 GFEDHM N#Cc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(Cl)s3)CC2)nc1 ZINC000066937650 654922625 /nfs/dbraw/zinc/92/26/25/654922625.db2.gz IYVVDPQXOUOKGV-UHFFFAOYSA-N -1 3 382.898 2.615 20 30 GFEDHM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000103158532 655068144 /nfs/dbraw/zinc/06/81/44/655068144.db2.gz WGYORIXDJSPUNG-SECBINFHSA-N -1 3 394.312 2.759 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H](SC)C2)ccc1F ZINC000154016830 655072860 /nfs/dbraw/zinc/07/28/60/655072860.db2.gz QGAYFWLOOQEZPI-CQSZACIVSA-N -1 3 386.514 2.648 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271301761 655075253 /nfs/dbraw/zinc/07/52/53/655075253.db2.gz IPMMXWWPZYKXEM-SECBINFHSA-N -1 3 395.200 2.777 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)C#N)c(Cl)cc1Cl ZINC000171848296 655154694 /nfs/dbraw/zinc/15/46/94/655154694.db2.gz UZFRKHWLSBLUIU-JTQLQIEISA-N -1 3 392.308 2.817 20 30 GFEDHM Cc1ccc(C#N)cc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000178626593 655306264 /nfs/dbraw/zinc/30/62/64/655306264.db2.gz OGYQYVLUVIAXJA-UHFFFAOYSA-N -1 3 398.897 2.682 20 30 GFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2nccn21 ZINC000578114165 655472793 /nfs/dbraw/zinc/47/27/93/655472793.db2.gz KOFGKZWIKBGUPB-UFBFGSQYSA-N -1 3 399.245 2.641 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)CC(F)(F)F)ccc1F ZINC000840513656 661167632 /nfs/dbraw/zinc/16/76/32/661167632.db2.gz AQGXDMNZAHLZDK-SNVBAGLBSA-N -1 3 382.379 2.608 20 30 GFEDHM Cc1ncc(CO)c(/C=N\CCCS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000840707448 661177451 /nfs/dbraw/zinc/17/74/51/661177451.db2.gz VDHWTXYRSOIZJJ-GRSHGNNSSA-N -1 3 382.869 2.524 20 30 GFEDHM O=C1Nc2c(cccc2I)C1=N[N-]c1ccc(Cl)nn1 ZINC000750917883 655818763 /nfs/dbraw/zinc/81/87/63/655818763.db2.gz OIVIWHNYCNHXTN-UHFFFAOYSA-N -1 3 399.579 2.503 20 30 GFEDHM COc1ccc(C=NN2C(=S)N=NC2[C@H]2CCCO2)c(Br)c1[O-] ZINC000761016810 655996870 /nfs/dbraw/zinc/99/68/70/655996870.db2.gz ZTURLSNOSIGJNI-SNVBAGLBSA-N -1 3 399.270 2.777 20 30 GFEDHM COc1cc(C=NNC(=S)Nc2ccccn2)cc(Br)c1[O-] ZINC000767804565 656220334 /nfs/dbraw/zinc/22/03/34/656220334.db2.gz ISSFJTGZAQEJOP-UHFFFAOYSA-N -1 3 381.255 2.879 20 30 GFEDHM Cc1cc(C#N)ccc1COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000777053510 656805931 /nfs/dbraw/zinc/80/59/31/656805931.db2.gz OUSKFLUEGYIQLR-UHFFFAOYSA-N -1 3 384.866 2.603 20 30 GFEDHM COc1ccc(C([O-])=C(C#N)c2ccccn2)nc1I ZINC000782582702 657160244 /nfs/dbraw/zinc/16/02/44/657160244.db2.gz YRJYLLAJSWKDFZ-VIFPVBQESA-N -1 3 379.157 2.580 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(F)(F)F)ccc1F ZINC000800997143 659363060 /nfs/dbraw/zinc/36/30/60/659363060.db2.gz YBTICPHQOGKEKC-UHFFFAOYSA-N -1 3 382.379 2.608 20 30 GFEDHM N#CCSCCCOC(=O)c1ccc(I)c([O-])c1 ZINC000805529922 659796422 /nfs/dbraw/zinc/79/64/22/659796422.db2.gz KBFDCTOWWUZSML-UHFFFAOYSA-N -1 3 377.203 2.800 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)cc1C(F)(F)F ZINC000816757980 660168266 /nfs/dbraw/zinc/16/82/66/660168266.db2.gz FYNAJBHMRHRVLW-SNVBAGLBSA-N -1 3 381.148 2.578 20 30 GFEDHM CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc(Cl)cc1[O-] ZINC000841616915 661306754 /nfs/dbraw/zinc/30/67/54/661306754.db2.gz BSWBTTUALCDTBB-UHFFFAOYSA-N -1 3 380.857 2.717 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(N2CCOC2=O)c1 ZINC000845830351 661499067 /nfs/dbraw/zinc/49/90/67/661499067.db2.gz BFTUBEXWPAMSSP-LLVKDONJSA-N -1 3 377.447 2.616 20 30 GFEDHM Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@H]1CCCN([O-])C1=O 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2.754 20 30 GFEDHM C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c([O-])cccc1Br ZINC000862252375 662277925 /nfs/dbraw/zinc/27/79/25/662277925.db2.gz SUTQUGJWAOLTQZ-LBPRGKRZSA-N -1 3 388.269 2.527 20 30 GFEDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901379624 663734929 /nfs/dbraw/zinc/73/49/29/663734929.db2.gz AAKUTNDXOABEMQ-GFCCVEGCSA-N -1 3 395.308 2.773 20 30 GFEDHM C=CCOC[C@@H](NCc1cccc(Br)c1OC(F)F)C(=O)[O-] ZINC000901811207 663746678 /nfs/dbraw/zinc/74/66/78/663746678.db2.gz QYQRZYVIMMGJAN-LLVKDONJSA-N -1 3 380.185 2.796 20 30 GFEDHM C=CCN1CCC(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000908945071 664138198 /nfs/dbraw/zinc/13/81/98/664138198.db2.gz ADJHZDAKXLETOH-OAHLLOKOSA-N -1 3 396.285 2.524 20 30 GFEDHM Cc1c([O-])ccc2c(CN3CCCN(c4ncccc4C#N)CC3)cc(=O)oc12 ZINC000064633980 209190660 /nfs/dbraw/zinc/19/06/60/209190660.db2.gz CFAAEEMECQARQU-UHFFFAOYSA-N -1 3 390.443 2.786 20 30 GFEDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccsc1 ZINC000121153050 551228356 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N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]cc(Br)c2=O)cc1Cl ZINC000180117436 552213741 /nfs/dbraw/zinc/21/37/41/552213741.db2.gz JLVZLNGZJPUQKD-UHFFFAOYSA-N -1 3 388.630 2.876 20 30 GFEDHM COc1ccc(COCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000180139358 552214288 /nfs/dbraw/zinc/21/42/88/552214288.db2.gz DLGBNSDBOWDQKU-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cccc(F)c1 ZINC000183405077 552308499 /nfs/dbraw/zinc/30/84/99/552308499.db2.gz BJOSMAGPZCPMFG-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)c1 ZINC000184309069 552331975 /nfs/dbraw/zinc/33/19/75/552331975.db2.gz WRSPZZZMKLNTQC-UHFFFAOYSA-N -1 3 382.800 2.696 20 30 GFEDHM COc1ccc(COCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000185652893 552368188 /nfs/dbraw/zinc/36/81/88/552368188.db2.gz FKFFFDVZCZWQKG-UHFFFAOYSA-N -1 3 380.853 2.715 20 30 GFEDHM O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cnn(CC(F)(F)F)c1 ZINC000186599934 552391680 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CC(C)CC(=O)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000331264348 563542773 /nfs/dbraw/zinc/54/27/73/563542773.db2.gz GGYVEPCQIFRQAR-UHFFFAOYSA-N -1 3 383.901 2.527 20 30 GFEDHM N#Cc1ncc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)cc1Cl ZINC000411029571 563602087 /nfs/dbraw/zinc/60/20/87/563602087.db2.gz IIBYZPMVNYQRMA-UHFFFAOYSA-N -1 3 396.881 2.705 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000287793183 563618068 /nfs/dbraw/zinc/61/80/68/563618068.db2.gz LGNCWVFAPNDCIA-NSHDSACASA-N -1 3 385.283 2.701 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000333169061 563622821 /nfs/dbraw/zinc/62/28/21/563622821.db2.gz NIHJSUPIYUXEGG-CYBMUJFWSA-N -1 3 385.283 2.701 20 30 GFEDHM Cn1cc(C#N)cc1C(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000434070690 563625252 /nfs/dbraw/zinc/62/52/52/563625252.db2.gz GODIVZFCVWMSFP-UHFFFAOYSA-N -1 3 389.188 2.836 20 30 GFEDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000288074972 563628431 /nfs/dbraw/zinc/62/84/31/563628431.db2.gz JOYMWGRSOJRZOC-UHFFFAOYSA-N -1 3 397.298 2.584 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOc2ccc(C(F)(F)F)cn2)s1 ZINC000435431259 563650202 /nfs/dbraw/zinc/65/02/02/563650202.db2.gz CKUUCJONDNGJEJ-UHFFFAOYSA-N -1 3 391.396 2.781 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOc1ccc(Br)cc1 ZINC000443039326 563788565 /nfs/dbraw/zinc/78/85/65/563788565.db2.gz SBOBOGMKQGUUGZ-UHFFFAOYSA-N -1 3 399.241 2.817 20 30 GFEDHM CN(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)CC(F)(F)F ZINC000444084889 563820597 /nfs/dbraw/zinc/82/05/97/563820597.db2.gz NPEYCNGLMJAHEL-UHFFFAOYSA-N -1 3 382.301 2.617 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCCS1 ZINC000416424458 563827313 /nfs/dbraw/zinc/82/73/13/563827313.db2.gz DBGLNMWCLXDXMV-ZDUSSCGKSA-N -1 3 375.313 2.885 20 30 GFEDHM Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1C ZINC000416514331 563841549 /nfs/dbraw/zinc/84/15/49/563841549.db2.gz GGHJPPDGOCNPCT-HNNXBMFYSA-N -1 3 378.881 2.710 20 30 GFEDHM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000416558075 563848559 /nfs/dbraw/zinc/84/85/59/563848559.db2.gz IDTPYCARQVKBFM-KGLIPLIRSA-N -1 3 385.283 2.557 20 30 GFEDHM C=CCN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000537931520 564178352 /nfs/dbraw/zinc/17/83/52/564178352.db2.gz UXAVHPJTTKNTGJ-UHFFFAOYSA-N -1 3 377.293 2.839 20 30 GFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000563867479 564210719 /nfs/dbraw/zinc/21/07/19/564210719.db2.gz LYKXYZHOLIBNIW-UHFFFAOYSA-N -1 3 390.262 2.713 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000508084970 564252718 /nfs/dbraw/zinc/25/27/18/564252718.db2.gz NOHAVGXGWYGPQC-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM Cn1ncc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)c1C#N ZINC000475898722 564323834 /nfs/dbraw/zinc/32/38/34/564323834.db2.gz LZBDPYPIBZFTRS-UHFFFAOYSA-N -1 3 389.238 2.825 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000566942560 564350928 /nfs/dbraw/zinc/35/09/28/564350928.db2.gz WAVRSJIMCRBVNE-CRAIPNDOSA-N -1 3 376.865 2.656 20 30 GFEDHM C[C@@](CO)([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(Br)cc1 ZINC000511336431 564368447 /nfs/dbraw/zinc/36/84/47/564368447.db2.gz YHVFYUCDXYZZBZ-INIZCTEOSA-N -1 3 395.278 2.507 20 30 GFEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000570949189 564528754 /nfs/dbraw/zinc/52/87/54/564528754.db2.gz SRZXDDWWSCKLEU-UHFFFAOYSA-N -1 3 392.662 2.560 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000520969881 564616648 /nfs/dbraw/zinc/61/66/48/564616648.db2.gz DUZGYKCLDFIFDK-JKSUJKDBSA-N -1 3 377.853 2.805 20 30 GFEDHM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000487378805 564685433 /nfs/dbraw/zinc/68/54/33/564685433.db2.gz OGOVIAXEIVFINM-INIZCTEOSA-N -1 3 386.539 2.958 20 30 GFEDHM N#CCCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000487406541 564686890 /nfs/dbraw/zinc/68/68/90/564686890.db2.gz QQWMUGRUMNVFMN-OAHLLOKOSA-N -1 3 377.491 2.578 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@H]1C1CC1 ZINC000575235173 564694262 /nfs/dbraw/zinc/69/42/62/564694262.db2.gz LIEOVEHBBDTGQF-HOTGVXAUSA-N -1 3 399.310 2.804 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@@H]1C1CC1 ZINC000575235172 564694380 /nfs/dbraw/zinc/69/43/80/564694380.db2.gz LIEOVEHBBDTGQF-CVEARBPZSA-N -1 3 399.310 2.804 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000557431721 564863413 /nfs/dbraw/zinc/86/34/13/564863413.db2.gz RUHGHWIVZPCEKJ-UHFFFAOYSA-N -1 3 375.313 2.742 20 30 GFEDHM C=C(C)CN(CC)C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000497400227 564866531 /nfs/dbraw/zinc/86/65/31/564866531.db2.gz HAHMDTNRZKGKFM-OAHLLOKOSA-N -1 3 388.530 2.650 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2Cl)N2CCCC2)o1 ZINC000557791579 564876779 /nfs/dbraw/zinc/87/67/79/564876779.db2.gz VKIZNBMBYXRWJA-MRXNPFEDSA-N -1 3 379.869 2.920 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000558050146 564891099 /nfs/dbraw/zinc/89/10/99/564891099.db2.gz GWCRZTPWLQEUSC-GFCCVEGCSA-N -1 3 381.454 2.501 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCC2)c(Cl)c1 ZINC000503475434 565020796 /nfs/dbraw/zinc/02/07/96/565020796.db2.gz ZJRMJRAHUHHUAM-UHFFFAOYSA-N -1 3 399.969 2.852 20 30 GFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000614493820 565116387 /nfs/dbraw/zinc/11/63/87/565116387.db2.gz LXMYHFKDUOASSS-UKRRQHHQSA-N -1 3 386.901 2.972 20 30 GFEDHM C=CCCN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000685831200 565124746 /nfs/dbraw/zinc/12/47/46/565124746.db2.gz ZHVUNOIRZWYCPG-UHFFFAOYSA-N -1 3 384.807 2.672 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000593529785 565337636 /nfs/dbraw/zinc/33/76/36/565337636.db2.gz FYTUVURYCPQLGT-UHFFFAOYSA-N -1 3 384.866 2.565 20 30 GFEDHM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593526342 565338264 /nfs/dbraw/zinc/33/82/64/565338264.db2.gz ZMLFPKYNYHUYRI-CQSZACIVSA-N -1 3 378.475 2.981 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000593535347 565338910 /nfs/dbraw/zinc/33/89/10/565338910.db2.gz XPYOQAIODXVNGJ-KRWDZBQOSA-N -1 3 376.459 2.821 20 30 GFEDHM C[C@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593567178 565343015 /nfs/dbraw/zinc/34/30/15/565343015.db2.gz OGYBTHJTGLRFEM-CYBMUJFWSA-N -1 3 376.507 2.519 20 30 GFEDHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000599335894 565670784 /nfs/dbraw/zinc/67/07/84/565670784.db2.gz DUDAGHLCRXYXRK-UHFFFAOYSA-N -1 3 378.372 2.956 20 30 GFEDHM Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000601439902 565784282 /nfs/dbraw/zinc/78/42/82/565784282.db2.gz XNJPTTBFMPFHDG-SNVBAGLBSA-N -1 3 383.271 2.700 20 30 GFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000657037129 566210855 /nfs/dbraw/zinc/21/08/55/566210855.db2.gz VFYBSFXYGCDNOS-GXTWGEPZSA-N -1 3 386.901 2.617 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736309504 598877045 /nfs/dbraw/zinc/87/70/45/598877045.db2.gz PLBSHISSBHXTBC-QGZVFWFLSA-N -1 3 391.435 2.547 20 30 GFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736309504 598877047 /nfs/dbraw/zinc/87/70/47/598877047.db2.gz PLBSHISSBHXTBC-QGZVFWFLSA-N -1 3 391.435 2.547 20 30 GFEDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2)n1 ZINC000737254906 598918249 /nfs/dbraw/zinc/91/82/49/598918249.db2.gz BNZIPCPICYABGJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cc2)n1 ZINC000737254906 598918251 /nfs/dbraw/zinc/91/82/51/598918251.db2.gz BNZIPCPICYABGJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cs2)o1 ZINC000737289158 598918486 /nfs/dbraw/zinc/91/84/86/598918486.db2.gz TVMKSYJGRHBHLY-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cs2)o1 ZINC000737289158 598918487 /nfs/dbraw/zinc/91/84/87/598918487.db2.gz TVMKSYJGRHBHLY-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1-c1nnn[n-]1 ZINC000737710245 598927535 /nfs/dbraw/zinc/92/75/35/598927535.db2.gz WARIBGKWASMVGV-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1-c1nn[n-]n1 ZINC000737710245 598927537 /nfs/dbraw/zinc/92/75/37/598927537.db2.gz WARIBGKWASMVGV-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)ccc1-c1nnn[n-]1 ZINC000737708161 598928513 /nfs/dbraw/zinc/92/85/13/598928513.db2.gz DFHCRBPNOFZMCD-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)ccc1-c1nn[n-]n1 ZINC000737708161 598928514 /nfs/dbraw/zinc/92/85/14/598928514.db2.gz DFHCRBPNOFZMCD-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000819772918 607253534 /nfs/dbraw/zinc/25/35/34/607253534.db2.gz MVVZUGTYNCFLIZ-UHFFFAOYSA-N -1 3 380.843 2.921 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000819772918 607253535 /nfs/dbraw/zinc/25/35/35/607253535.db2.gz MVVZUGTYNCFLIZ-UHFFFAOYSA-N -1 3 380.843 2.921 20 30 GFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCc1ccncc1 ZINC000819718647 607253713 /nfs/dbraw/zinc/25/37/13/607253713.db2.gz MEWDSAWBGNTKKD-UHFFFAOYSA-N -1 3 385.431 2.964 20 30 GFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCc1ccncc1 ZINC000819718647 607253714 /nfs/dbraw/zinc/25/37/14/607253714.db2.gz MEWDSAWBGNTKKD-UHFFFAOYSA-N -1 3 385.431 2.964 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736417773 599026536 /nfs/dbraw/zinc/02/65/36/599026536.db2.gz VVTKVLOQMUIXRS-QGZVFWFLSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736417773 599026538 /nfs/dbraw/zinc/02/65/38/599026538.db2.gz VVTKVLOQMUIXRS-QGZVFWFLSA-N -1 3 376.420 2.868 20 30 GFEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315459 599026659 /nfs/dbraw/zinc/02/66/59/599026659.db2.gz YQWYXZIHAAFMCE-FQEVSTJZSA-N -1 3 376.420 2.868 20 30 GFEDHM N#CC1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000737677200 599026935 /nfs/dbraw/zinc/02/69/35/599026935.db2.gz AOKLQABKGZFZDC-UHFFFAOYSA-N -1 3 388.431 2.821 20 30 GFEDHM N#CC1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000737677200 599026937 /nfs/dbraw/zinc/02/69/37/599026937.db2.gz AOKLQABKGZFZDC-UHFFFAOYSA-N -1 3 388.431 2.821 20 30 GFEDHM CC(C)[C@@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735689800 599031067 /nfs/dbraw/zinc/03/10/67/599031067.db2.gz BMCUHLVTBDLHNV-GOSISDBHSA-N -1 3 376.420 2.724 20 30 GFEDHM C#CCOc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000735380072 599070028 /nfs/dbraw/zinc/07/00/28/599070028.db2.gz BPXRCOYBZIVMIW-UHFFFAOYSA-N -1 3 375.432 2.930 20 30 GFEDHM C#CCOc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000735380072 599070029 /nfs/dbraw/zinc/07/00/29/599070029.db2.gz BPXRCOYBZIVMIW-UHFFFAOYSA-N -1 3 375.432 2.930 20 30 GFEDHM C=CCOCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000819750283 599142815 /nfs/dbraw/zinc/14/28/15/599142815.db2.gz CBXKYWLPUVONAL-UHFFFAOYSA-N -1 3 383.374 2.740 20 30 GFEDHM C=CCOCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000819750283 599142816 /nfs/dbraw/zinc/14/28/16/599142816.db2.gz CBXKYWLPUVONAL-UHFFFAOYSA-N -1 3 383.374 2.740 20 30 GFEDHM N#Cc1cc(NC(=O)CCc2ccc(OC(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737710400 599197790 /nfs/dbraw/zinc/19/77/90/599197790.db2.gz XRNUDMLDGOCEGV-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM N#Cc1cc(NC(=O)CCc2ccc(OC(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737710400 599197792 /nfs/dbraw/zinc/19/77/92/599197792.db2.gz XRNUDMLDGOCEGV-UHFFFAOYSA-N -1 3 384.346 2.911 20 30 GFEDHM N#Cc1cnccc1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737728109 599252591 /nfs/dbraw/zinc/25/25/91/599252591.db2.gz HFTKLOJLNNRCKR-UHFFFAOYSA-N -1 3 383.371 2.600 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc2c(c1)COC2 ZINC000819745816 607299282 /nfs/dbraw/zinc/29/92/82/607299282.db2.gz RZFVJOOGYWRKHN-UHFFFAOYSA-N -1 3 390.447 2.795 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc2c(c1)COC2 ZINC000819745816 607299283 /nfs/dbraw/zinc/29/92/83/607299283.db2.gz RZFVJOOGYWRKHN-UHFFFAOYSA-N -1 3 390.447 2.795 20 30 GFEDHM CC(C)(C)CN(CCC#N)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819913919 607300357 /nfs/dbraw/zinc/30/03/57/607300357.db2.gz HNEYNTOPOSKUHW-UHFFFAOYSA-N -1 3 397.483 2.764 20 30 GFEDHM CC(C)(C)CN(CCC#N)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819913919 607300358 /nfs/dbraw/zinc/30/03/58/607300358.db2.gz HNEYNTOPOSKUHW-UHFFFAOYSA-N -1 3 397.483 2.764 20 30 GFEDHM CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736487589 599278972 /nfs/dbraw/zinc/27/89/72/599278972.db2.gz JAICUCCIZONRAI-ZDUSSCGKSA-N -1 3 391.435 2.966 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735758345 598332520 /nfs/dbraw/zinc/33/25/20/598332520.db2.gz ZRNPNVGKQORGFM-ZDUSSCGKSA-N -1 3 380.408 2.707 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735758345 598332522 /nfs/dbraw/zinc/33/25/22/598332522.db2.gz ZRNPNVGKQORGFM-ZDUSSCGKSA-N -1 3 380.408 2.707 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736190619 598486788 /nfs/dbraw/zinc/48/67/88/598486788.db2.gz WQIDVMKZNVUDJG-GFCCVEGCSA-N -1 3 379.424 2.701 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736190619 598486789 /nfs/dbraw/zinc/48/67/89/598486789.db2.gz WQIDVMKZNVUDJG-GFCCVEGCSA-N -1 3 379.424 2.701 20 30 GFEDHM N#CCOc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737696984 598495343 /nfs/dbraw/zinc/49/53/43/598495343.db2.gz BHBZQCUMXGZJSV-UHFFFAOYSA-N -1 3 399.867 2.909 20 30 GFEDHM N#CCOc1ccc(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737696984 598495344 /nfs/dbraw/zinc/49/53/44/598495344.db2.gz BHBZQCUMXGZJSV-UHFFFAOYSA-N -1 3 399.867 2.909 20 30 GFEDHM N#Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000737717182 598562799 /nfs/dbraw/zinc/56/27/99/598562799.db2.gz AQOPLJCXBHLPEI-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM N#Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737717182 598562801 /nfs/dbraw/zinc/56/28/01/598562801.db2.gz AQOPLJCXBHLPEI-UHFFFAOYSA-N -1 3 385.334 2.661 20 30 GFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736098352 598576624 /nfs/dbraw/zinc/57/66/24/598576624.db2.gz DKYHBVNRTNGQJP-KUHUBIRLSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736098352 598576626 /nfs/dbraw/zinc/57/66/26/598576626.db2.gz DKYHBVNRTNGQJP-KUHUBIRLSA-N -1 3 387.447 2.585 20 30 GFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737001583 598626384 /nfs/dbraw/zinc/62/63/84/598626384.db2.gz CKSCXGMTDPBOEJ-UHFFFAOYSA-N -1 3 395.398 2.558 20 30 GFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737001583 598626386 /nfs/dbraw/zinc/62/63/86/598626386.db2.gz CKSCXGMTDPBOEJ-UHFFFAOYSA-N -1 3 395.398 2.558 20 30 GFEDHM N#Cc1cccc(Cl)c1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737730100 598633369 /nfs/dbraw/zinc/63/33/69/598633369.db2.gz FUMOTXZYLQZVHY-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1cccc(Cl)c1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737730100 598633370 /nfs/dbraw/zinc/63/33/70/598633370.db2.gz FUMOTXZYLQZVHY-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1[N+](=O)[O-] ZINC000737080420 598638876 /nfs/dbraw/zinc/63/88/76/598638876.db2.gz AHOQPTJURHJBDK-ALCCZGGFSA-N -1 3 394.391 2.736 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1[N+](=O)[O-] ZINC000737080420 598638878 /nfs/dbraw/zinc/63/88/78/598638878.db2.gz AHOQPTJURHJBDK-ALCCZGGFSA-N -1 3 394.391 2.736 20 30 GFEDHM CCn1c(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)nc2c1cccc2F ZINC000736714705 598644129 /nfs/dbraw/zinc/64/41/29/598644129.db2.gz UKHOESBARLKGGU-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM CCn1c(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)nc2c1cccc2F ZINC000736714705 598644131 /nfs/dbraw/zinc/64/41/31/598644131.db2.gz UKHOESBARLKGGU-UHFFFAOYSA-N -1 3 395.427 2.517 20 30 GFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000735659576 598652906 /nfs/dbraw/zinc/65/29/06/598652906.db2.gz DCLJLMRKZIASFH-UHFFFAOYSA-N -1 3 379.424 2.507 20 30 GFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000735659576 598652908 /nfs/dbraw/zinc/65/29/08/598652908.db2.gz DCLJLMRKZIASFH-UHFFFAOYSA-N -1 3 379.424 2.507 20 30 GFEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819739636 607363674 /nfs/dbraw/zinc/36/36/74/607363674.db2.gz BFZVZSDCDASBPR-UHFFFAOYSA-N -1 3 391.435 2.575 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)nc1 ZINC000737720049 598661563 /nfs/dbraw/zinc/66/15/63/598661563.db2.gz YBYQFILIRZFFSF-UHFFFAOYSA-N -1 3 387.359 2.558 20 30 GFEDHM CCC(CC)C(=O)N1CCC(=NOCc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000736338032 598675961 /nfs/dbraw/zinc/67/59/61/598675961.db2.gz OQEMKYQZQASRPR-UHFFFAOYSA-N -1 3 388.447 2.937 20 30 GFEDHM CCC(CC)C(=O)N1CCC(=NOCc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000736338032 598675962 /nfs/dbraw/zinc/67/59/62/598675962.db2.gz OQEMKYQZQASRPR-UHFFFAOYSA-N -1 3 388.447 2.937 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000736181799 598691311 /nfs/dbraw/zinc/69/13/11/598691311.db2.gz AUNYHVMXEFLOED-BTYIYWSLSA-N -1 3 390.447 2.665 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000736181799 598691313 /nfs/dbraw/zinc/69/13/13/598691313.db2.gz AUNYHVMXEFLOED-BTYIYWSLSA-N -1 3 390.447 2.665 20 30 GFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C1(C#N)CCC1 ZINC000737280819 599373781 /nfs/dbraw/zinc/37/37/81/599373781.db2.gz SZPYGFYSNVAOQQ-UHFFFAOYSA-N -1 3 375.392 2.995 20 30 GFEDHM CCOc1ccccc1C=NOCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821431533 599381644 /nfs/dbraw/zinc/38/16/44/599381644.db2.gz UTAAYKUSYFVNKI-UHFFFAOYSA-N -1 3 391.391 2.866 20 30 GFEDHM CCOc1ccccc1C=NOCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821431533 599381646 /nfs/dbraw/zinc/38/16/46/599381646.db2.gz UTAAYKUSYFVNKI-UHFFFAOYSA-N -1 3 391.391 2.866 20 30 GFEDHM C#CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000819709971 599557115 /nfs/dbraw/zinc/55/71/15/599557115.db2.gz VFKAJCRLIDUXIU-UHFFFAOYSA-N -1 3 392.369 2.739 20 30 GFEDHM C#CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000819709971 599557116 /nfs/dbraw/zinc/55/71/16/599557116.db2.gz VFKAJCRLIDUXIU-UHFFFAOYSA-N -1 3 392.369 2.739 20 30 GFEDHM N#Cc1ccc(-c2nnc(CN(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)o2)cc1 ZINC000822822705 599568579 /nfs/dbraw/zinc/56/85/79/599568579.db2.gz CJTJYLCNNAXOKQ-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM N#Cc1ccc(-c2nnc(CN(Cc3ccc(-c4nn[n-]n4)cc3)C3CC3)o2)cc1 ZINC000822822705 599568580 /nfs/dbraw/zinc/56/85/80/599568580.db2.gz CJTJYLCNNAXOKQ-UHFFFAOYSA-N -1 3 398.430 2.953 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000819744146 599676883 /nfs/dbraw/zinc/67/68/83/599676883.db2.gz XWMAQKUHLDFTDM-KZNAEPCWSA-N -1 3 396.495 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000819744146 599676884 /nfs/dbraw/zinc/67/68/84/599676884.db2.gz XWMAQKUHLDFTDM-KZNAEPCWSA-N -1 3 396.495 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000819744098 599682760 /nfs/dbraw/zinc/68/27/60/599682760.db2.gz WGTWQXJOEGFCOV-OXJNMPFZSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000819744098 599682761 /nfs/dbraw/zinc/68/27/61/599682761.db2.gz WGTWQXJOEGFCOV-OXJNMPFZSA-N -1 3 384.484 2.768 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820159950 607401293 /nfs/dbraw/zinc/40/12/93/607401293.db2.gz BVESQRCXWAJZJY-ZDUSSCGKSA-N -1 3 392.419 2.932 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)[C@@H](C)C2)cc1 ZINC000831389332 601314049 /nfs/dbraw/zinc/31/40/49/601314049.db2.gz GKDNYZAFMIONFR-MGPUTAFESA-N -1 3 393.443 2.681 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c(OC)c1 ZINC000823937213 607576061 /nfs/dbraw/zinc/57/60/61/607576061.db2.gz MPSQPGSSQIUGSI-UHFFFAOYSA-N -1 3 386.433 2.680 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCSCc1ccccc1C#N ZINC000826248620 607649918 /nfs/dbraw/zinc/64/99/18/607649918.db2.gz PMAAFTUFCOVCCQ-UHFFFAOYSA-N -1 3 378.461 2.710 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCSCc1ccccc1C#N ZINC000826248620 607649920 /nfs/dbraw/zinc/64/99/20/607649920.db2.gz PMAAFTUFCOVCCQ-UHFFFAOYSA-N -1 3 378.461 2.710 20 30 GFEDHM CCOC(=O)Nc1ccc(N=Cc2c(O)cccc2OC)cc1-c1nnn[n-]1 ZINC000825523762 607679496 /nfs/dbraw/zinc/67/94/96/607679496.db2.gz ULPQPBAKGRBELA-UHFFFAOYSA-N -1 3 382.380 2.900 20 30 GFEDHM CCOC(=O)Nc1ccc(N=Cc2c(O)cccc2OC)cc1-c1nn[n-]n1 ZINC000825523762 607679497 /nfs/dbraw/zinc/67/94/97/607679497.db2.gz ULPQPBAKGRBELA-UHFFFAOYSA-N -1 3 382.380 2.900 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000829442954 604222041 /nfs/dbraw/zinc/22/20/41/604222041.db2.gz ULGZTCMLRHFSDL-NTZNESFSSA-N -1 3 393.827 2.822 20 30 GFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000831064169 604223102 /nfs/dbraw/zinc/22/31/02/604223102.db2.gz CQCARIHQLUZAGH-NHCYSSNCSA-N -1 3 381.791 2.953 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826272098 607696986 /nfs/dbraw/zinc/69/69/86/607696986.db2.gz UNTFJENWLDENSE-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826272098 607696988 /nfs/dbraw/zinc/69/69/88/607696988.db2.gz UNTFJENWLDENSE-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM Cc1sc(NC(=O)CN(CCC#N)CC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000822557734 606201098 /nfs/dbraw/zinc/20/10/98/606201098.db2.gz JSTYMIRAWBXTSW-UHFFFAOYSA-N -1 3 375.502 2.745 20 30 GFEDHM Cc1sc(NC(=O)CN(CCC#N)CC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000822557734 606201100 /nfs/dbraw/zinc/20/11/00/606201100.db2.gz JSTYMIRAWBXTSW-UHFFFAOYSA-N -1 3 375.502 2.745 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CCOC)CCC1 ZINC000819743351 606774758 /nfs/dbraw/zinc/77/47/58/606774758.db2.gz HFFQYLBDDRHFAJ-UHFFFAOYSA-N -1 3 384.484 2.771 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CCOC)CCC1 ZINC000819743351 606774759 /nfs/dbraw/zinc/77/47/59/606774759.db2.gz HFFQYLBDDRHFAJ-UHFFFAOYSA-N -1 3 384.484 2.771 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819745489 606841683 /nfs/dbraw/zinc/84/16/83/606841683.db2.gz GCXKWQJFNXGICQ-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819745502 606884178 /nfs/dbraw/zinc/88/41/78/606884178.db2.gz GSJKNCDKCBUKFZ-UHFFFAOYSA-N -1 3 397.432 2.583 20 30 GFEDHM C=CCN(Cc1cccs1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819745502 606884180 /nfs/dbraw/zinc/88/41/80/606884180.db2.gz GSJKNCDKCBUKFZ-UHFFFAOYSA-N -1 3 397.432 2.583 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820549461 606944573 /nfs/dbraw/zinc/94/45/73/606944573.db2.gz MVHPBWJONPXGRF-CQSZACIVSA-N -1 3 393.403 2.518 20 30 GFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820549461 606944575 /nfs/dbraw/zinc/94/45/75/606944575.db2.gz MVHPBWJONPXGRF-CQSZACIVSA-N -1 3 393.403 2.518 20 30 GFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c(F)cccc1N1CCOCC1 ZINC000822924058 606977589 /nfs/dbraw/zinc/97/75/89/606977589.db2.gz WIOPRPYHBBRSGN-SNAWJCMRSA-N -1 3 385.424 2.800 20 30 GFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1c(F)cccc1N1CCOCC1 ZINC000822924058 606977591 /nfs/dbraw/zinc/97/75/91/606977591.db2.gz WIOPRPYHBBRSGN-SNAWJCMRSA-N -1 3 385.424 2.800 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820313348 607050396 /nfs/dbraw/zinc/05/03/96/607050396.db2.gz DBPDSIJNKLKWCB-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820313348 607050399 /nfs/dbraw/zinc/05/03/99/607050399.db2.gz DBPDSIJNKLKWCB-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM CC(C)(C#N)c1ccccc1COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000819891581 607154655 /nfs/dbraw/zinc/15/46/55/607154655.db2.gz BRFPAGXINAQZFK-UHFFFAOYSA-N -1 3 377.404 2.790 20 30 GFEDHM CC(C)(C#N)c1ccccc1COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000819891581 607154656 /nfs/dbraw/zinc/15/46/56/607154656.db2.gz BRFPAGXINAQZFK-UHFFFAOYSA-N -1 3 377.404 2.790 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822819696 607160128 /nfs/dbraw/zinc/16/01/28/607160128.db2.gz ZFBQYBYASFZURS-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822819696 607160130 /nfs/dbraw/zinc/16/01/30/607160130.db2.gz ZFBQYBYASFZURS-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM COc1ccc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(OC)c1 ZINC000826191931 607830204 /nfs/dbraw/zinc/83/02/04/607830204.db2.gz UYRLNQXRKPUBLJ-UHFFFAOYSA-N -1 3 392.419 2.717 20 30 GFEDHM COc1ccc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(OC)c1 ZINC000826191931 607830205 /nfs/dbraw/zinc/83/02/05/607830205.db2.gz UYRLNQXRKPUBLJ-UHFFFAOYSA-N -1 3 392.419 2.717 20 30 GFEDHM C[C@H](C#N)CN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CC1 ZINC000824035533 607831181 /nfs/dbraw/zinc/83/11/81/607831181.db2.gz ZICHRCPAQBIDEK-GFCCVEGCSA-N -1 3 399.524 2.760 20 30 GFEDHM C[C@H](C#N)CN(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CC1 ZINC000824035533 607831182 /nfs/dbraw/zinc/83/11/82/607831182.db2.gz ZICHRCPAQBIDEK-GFCCVEGCSA-N -1 3 399.524 2.760 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)cc1-c1nnn[n-]1 ZINC000826385596 607962579 /nfs/dbraw/zinc/96/25/79/607962579.db2.gz SPUAXMGNSHUHSW-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)cc1-c1nn[n-]n1 ZINC000826385596 607962580 /nfs/dbraw/zinc/96/25/80/607962580.db2.gz SPUAXMGNSHUHSW-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM COc1ccc(COCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000826206575 608027955 /nfs/dbraw/zinc/02/79/55/608027955.db2.gz AXVPUVQZDNDLNR-UHFFFAOYSA-N -1 3 392.419 2.682 20 30 GFEDHM COc1ccc(COCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000826206575 608027956 /nfs/dbraw/zinc/02/79/56/608027956.db2.gz AXVPUVQZDNDLNR-UHFFFAOYSA-N -1 3 392.419 2.682 20 30 GFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=S)Nc1ccccc1C#N ZINC000825797030 608109451 /nfs/dbraw/zinc/10/94/51/608109451.db2.gz UHCMHDUFCBXQKR-UHFFFAOYSA-N -1 3 389.448 2.917 20 30 GFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=S)Nc1ccccc1C#N ZINC000825797030 608109452 /nfs/dbraw/zinc/10/94/52/608109452.db2.gz UHCMHDUFCBXQKR-UHFFFAOYSA-N -1 3 389.448 2.917 20 30 GFEDHM NC(=NOCc1cccc(-c2nnn[n-]2)c1)c1cc(Br)cs1 ZINC000826388530 608150958 /nfs/dbraw/zinc/15/09/58/608150958.db2.gz CJYWXQRUWUETMU-UHFFFAOYSA-N -1 3 379.243 2.528 20 30 GFEDHM NC(=NOCc1cccc(-c2nn[n-]n2)c1)c1cc(Br)cs1 ZINC000826388530 608150960 /nfs/dbraw/zinc/15/09/60/608150960.db2.gz CJYWXQRUWUETMU-UHFFFAOYSA-N -1 3 379.243 2.528 20 30 GFEDHM N#CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826382165 608161746 /nfs/dbraw/zinc/16/17/46/608161746.db2.gz QYUHVZRWMLWMIR-UHFFFAOYSA-N -1 3 383.755 2.747 20 30 GFEDHM N#CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826382165 608161748 /nfs/dbraw/zinc/16/17/48/608161748.db2.gz QYUHVZRWMLWMIR-UHFFFAOYSA-N -1 3 383.755 2.747 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823904247 608332141 /nfs/dbraw/zinc/33/21/41/608332141.db2.gz XTTQLTCIJCMTTK-UHFFFAOYSA-N -1 3 393.488 2.904 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823904247 608332143 /nfs/dbraw/zinc/33/21/43/608332143.db2.gz XTTQLTCIJCMTTK-UHFFFAOYSA-N -1 3 393.488 2.904 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824035151 608355438 /nfs/dbraw/zinc/35/54/38/608355438.db2.gz SNPXSINGMFLXTP-AWEZNQCLSA-N -1 3 375.436 2.835 20 30 GFEDHM C[C@@H](C#N)CN(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824035151 608355440 /nfs/dbraw/zinc/35/54/40/608355440.db2.gz SNPXSINGMFLXTP-AWEZNQCLSA-N -1 3 375.436 2.835 20 30 GFEDHM COc1cc(C#N)ccc1COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826176972 608366180 /nfs/dbraw/zinc/36/61/80/608366180.db2.gz MDLTWJPCJYELKM-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM COc1cc(C#N)ccc1COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826176972 608366182 /nfs/dbraw/zinc/36/61/82/608366182.db2.gz MDLTWJPCJYELKM-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)n2)c1 ZINC000826386379 608866688 /nfs/dbraw/zinc/86/66/88/608866688.db2.gz BJNVGEABCWNTNL-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM N#Cc1cccc(-c2c[nH]c(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)n2)c1 ZINC000826386379 608866692 /nfs/dbraw/zinc/86/66/92/608866692.db2.gz BJNVGEABCWNTNL-UHFFFAOYSA-N -1 3 387.363 2.649 20 30 GFEDHM N#CC1(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000826380041 609154477 /nfs/dbraw/zinc/15/44/77/609154477.db2.gz LAHZQJACOJGYEJ-QGZVFWFLSA-N -1 3 380.452 2.853 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824035329 609164256 /nfs/dbraw/zinc/16/42/56/609164256.db2.gz XGCLDHVKFNRKFI-ZDUSSCGKSA-N -1 3 377.408 2.821 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824035329 609164257 /nfs/dbraw/zinc/16/42/57/609164257.db2.gz XGCLDHVKFNRKFI-ZDUSSCGKSA-N -1 3 377.408 2.821 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826209687 609273963 /nfs/dbraw/zinc/27/39/63/609273963.db2.gz MGLUVWOONPTSJM-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826209687 609273965 /nfs/dbraw/zinc/27/39/65/609273965.db2.gz MGLUVWOONPTSJM-UHFFFAOYSA-N -1 3 385.428 2.725 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc2c1OCCO2 ZINC000826178551 609274337 /nfs/dbraw/zinc/27/43/37/609274337.db2.gz CGXVKTCARZGYAY-GORDUTHDSA-N -1 3 382.351 2.682 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc2c1OCCO2 ZINC000826178551 609274339 /nfs/dbraw/zinc/27/43/39/609274339.db2.gz CGXVKTCARZGYAY-GORDUTHDSA-N -1 3 382.351 2.682 20 30 GFEDHM C=C(C)[C@H](CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)OCC ZINC000823872840 609286191 /nfs/dbraw/zinc/28/61/91/609286191.db2.gz FECNFZSETQQXQY-AWEZNQCLSA-N -1 3 385.403 2.501 20 30 GFEDHM N#CCc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826382491 609289460 /nfs/dbraw/zinc/28/94/60/609289460.db2.gz GZIDSBSPROKEHD-UHFFFAOYSA-N -1 3 388.366 2.510 20 30 GFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)s1 ZINC000826384871 609348949 /nfs/dbraw/zinc/34/89/49/609348949.db2.gz MZYAUSVLIVKSOL-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)s1 ZINC000826384871 609348951 /nfs/dbraw/zinc/34/89/51/609348951.db2.gz MZYAUSVLIVKSOL-UHFFFAOYSA-N -1 3 390.222 2.919 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823873719 609349461 /nfs/dbraw/zinc/34/94/61/609349461.db2.gz PQLPSCCZIPYWIV-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823873719 609349462 /nfs/dbraw/zinc/34/94/62/609349462.db2.gz PQLPSCCZIPYWIV-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM N#CCC1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000826380453 609424029 /nfs/dbraw/zinc/42/40/29/609424029.db2.gz AWNIMAOHSSBTOD-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824059226 609429493 /nfs/dbraw/zinc/42/94/93/609429493.db2.gz PMBJFGHQQACWNT-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM CC(C)(C#N)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824059226 609429495 /nfs/dbraw/zinc/42/94/95/609429495.db2.gz PMBJFGHQQACWNT-UHFFFAOYSA-N -1 3 376.420 2.725 20 30 GFEDHM FC(F)Oc1ccccc1C=NOCCOc1ccccc1-c1nnn[n-]1 ZINC000826370413 609467457 /nfs/dbraw/zinc/46/74/57/609467457.db2.gz RPJLVCQJYFFDKS-UHFFFAOYSA-N -1 3 375.335 2.898 20 30 GFEDHM FC(F)Oc1ccccc1C=NOCCOc1ccccc1-c1nn[n-]n1 ZINC000826370413 609467458 /nfs/dbraw/zinc/46/74/58/609467458.db2.gz RPJLVCQJYFFDKS-UHFFFAOYSA-N -1 3 375.335 2.898 20 30 GFEDHM Cc1sc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826349465 609509061 /nfs/dbraw/zinc/50/90/61/609509061.db2.gz IPDJCALBEKYRLW-KRWDZBQOSA-N -1 3 390.469 2.745 20 30 GFEDHM Cc1sc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826349465 609509062 /nfs/dbraw/zinc/50/90/62/609509062.db2.gz IPDJCALBEKYRLW-KRWDZBQOSA-N -1 3 390.469 2.745 20 30 GFEDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)nn1-c1cccc(C#N)c1 ZINC000826278473 609541703 /nfs/dbraw/zinc/54/17/03/609541703.db2.gz DVMINMQLFAOJSJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)nn1-c1cccc(C#N)c1 ZINC000826278473 609541705 /nfs/dbraw/zinc/54/17/05/609541705.db2.gz DVMINMQLFAOJSJ-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706546 609590225 /nfs/dbraw/zinc/59/02/25/609590225.db2.gz JAIQCKWHSMBJGX-BLVKFPJESA-N -1 3 385.424 2.733 20 30 GFEDHM C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706546 609590226 /nfs/dbraw/zinc/59/02/26/609590226.db2.gz JAIQCKWHSMBJGX-BLVKFPJESA-N -1 3 385.424 2.733 20 30 GFEDHM Cc1cc(C(=O)Oc2ccc(C#N)cc2F)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261511 609596225 /nfs/dbraw/zinc/59/62/25/609596225.db2.gz IKXKDVWEDFFHRK-UHFFFAOYSA-N -1 3 389.350 2.591 20 30 GFEDHM Cc1cc(C(=O)Oc2ccc(C#N)cc2F)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261511 609596228 /nfs/dbraw/zinc/59/62/28/609596228.db2.gz IKXKDVWEDFFHRK-UHFFFAOYSA-N -1 3 389.350 2.591 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258723 609605158 /nfs/dbraw/zinc/60/51/58/609605158.db2.gz UHNWAMCVDVRDGT-GOSISDBHSA-N -1 3 390.451 2.563 20 30 GFEDHM Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258723 609605161 /nfs/dbraw/zinc/60/51/61/609605161.db2.gz UHNWAMCVDVRDGT-GOSISDBHSA-N -1 3 390.451 2.563 20 30 GFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000820482572 660295215 /nfs/dbraw/zinc/29/52/15/660295215.db2.gz NIEMFFBIHHPQGP-CQSZACIVSA-N -1 3 381.270 2.757 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC000820544466 660296750 /nfs/dbraw/zinc/29/67/50/660296750.db2.gz LQNPOJLUTUGSLX-JTQLQIEISA-N -1 3 399.138 2.717 20 30 GFEDHM COc1ccc(Br)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821769292 660333599 /nfs/dbraw/zinc/33/35/99/660333599.db2.gz GFRBOVRHLYWEDP-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM COc1ccc(Br)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821769292 660333600 /nfs/dbraw/zinc/33/36/00/660333600.db2.gz GFRBOVRHLYWEDP-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269818768 655023244 /nfs/dbraw/zinc/02/32/44/655023244.db2.gz VRNZDHJVNJGRFP-LLVKDONJSA-N -1 3 376.232 2.574 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc(Cl)c(C)c2)ccc1F ZINC000155808909 655087738 /nfs/dbraw/zinc/08/77/38/655087738.db2.gz KGTOTHLXIIKHDZ-UHFFFAOYSA-N -1 3 383.832 2.899 20 30 GFEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000273554690 655147765 /nfs/dbraw/zinc/14/77/65/655147765.db2.gz DAYQMOIBYUREAZ-SSDOTTSWSA-N -1 3 376.385 2.777 20 30 GFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000173039167 655162063 /nfs/dbraw/zinc/16/20/63/655162063.db2.gz ABOJQXBRHIRRLU-UHFFFAOYSA-N -1 3 396.222 2.707 20 30 GFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ncc1Br ZINC000176078243 655234410 /nfs/dbraw/zinc/23/44/10/655234410.db2.gz WCJXJLIVEACSPK-UHFFFAOYSA-N -1 3 389.253 2.901 20 30 GFEDHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CC#N)c(Cl)cc1Cl ZINC000194669816 655416905 /nfs/dbraw/zinc/41/69/05/655416905.db2.gz OFLZVNBXDMBMIV-SNVBAGLBSA-N -1 3 392.308 2.960 20 30 GFEDHM N#Cc1ccsc1NC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365444 655575094 /nfs/dbraw/zinc/57/50/94/655575094.db2.gz WRVXPPNRJZPPGD-UHFFFAOYSA-N -1 3 381.207 2.883 20 30 GFEDHM O=S(=O)(CCc1ccccc1)NN=Cc1cc(Br)ccc1[O-] ZINC000743449023 655729341 /nfs/dbraw/zinc/72/93/41/655729341.db2.gz KRUUKUHXWQHSGS-UHFFFAOYSA-N -1 3 383.267 2.651 20 30 GFEDHM CCCCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000754809390 655874015 /nfs/dbraw/zinc/87/40/15/655874015.db2.gz VPPFEGIVTXCXOZ-UHFFFAOYSA-N -1 3 380.507 2.836 20 30 GFEDHM CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1[O-] ZINC000756815373 655905552 /nfs/dbraw/zinc/90/55/52/655905552.db2.gz KJESHKXMFQYDQZ-UHFFFAOYSA-N -1 3 384.255 2.638 20 30 GFEDHM C#CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)SC1=S ZINC000759040296 655945737 /nfs/dbraw/zinc/94/57/37/655945737.db2.gz QMIBNNPCKGQLOW-XFFZJAGNSA-N -1 3 384.276 2.998 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC(F)(F)C2)ccc1F ZINC000768595545 656243921 /nfs/dbraw/zinc/24/39/21/656243921.db2.gz CGTCNYMVTGYVHQ-LBPRGKRZSA-N -1 3 376.400 2.598 20 30 GFEDHM N#C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000776382324 656736487 /nfs/dbraw/zinc/73/64/87/656736487.db2.gz BZRGDAUYVJWDNI-NSHDSACASA-N -1 3 376.887 2.695 20 30 GFEDHM CCOC(=O)c1cnc(N=NCc2cc(O)c([O-])c(Br)c2)nc1C ZINC000777889242 656841115 /nfs/dbraw/zinc/84/11/15/656841115.db2.gz CDFLZTQTXURAJZ-UHFFFAOYSA-N -1 3 395.213 2.581 20 30 GFEDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(C)c1Cl ZINC000788483413 657728293 /nfs/dbraw/zinc/72/82/93/657728293.db2.gz BOOBHWMAGURYDQ-UHFFFAOYSA-N -1 3 384.866 2.847 20 30 GFEDHM C#C[C@H](CCC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000791199911 658068805 /nfs/dbraw/zinc/06/88/05/658068805.db2.gz GJPRJAQZHLHONP-LLVKDONJSA-N -1 3 377.293 2.580 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000797454597 659024852 /nfs/dbraw/zinc/02/48/52/659024852.db2.gz PTQHAUQEHXYZHN-NEPJUHHUSA-N -1 3 378.675 2.562 20 30 GFEDHM C#C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000812353686 660025378 /nfs/dbraw/zinc/02/53/78/660025378.db2.gz WJBGJZCWHFDSRD-HNNXBMFYSA-N -1 3 378.837 2.521 20 30 GFEDHM Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cs1 ZINC000816754999 660168250 /nfs/dbraw/zinc/16/82/50/660168250.db2.gz QQKRUJMSCMRSJR-OAHLLOKOSA-N -1 3 377.491 2.854 20 30 GFEDHM CC(C)NS(=O)(=O)c1ccc(N=NC(C)c2ccc(Cl)cc2[O-])nc1 ZINC000841617135 661306946 /nfs/dbraw/zinc/30/69/46/661306946.db2.gz FEHSXHQPCXSFFR-UHFFFAOYSA-N -1 3 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COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1OC ZINC000443096604 563792030 /nfs/dbraw/zinc/79/20/30/563792030.db2.gz SDJSMHZBBODQHP-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccccc2C#N)nc1C ZINC000443374241 563803019 /nfs/dbraw/zinc/80/30/19/563803019.db2.gz PQNZJXSRZREBEI-NSHDSACASA-N -1 3 379.463 2.539 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000416429580 563827833 /nfs/dbraw/zinc/82/78/33/563827833.db2.gz WEYKFUUROUQUNW-MJBXVCDLSA-N -1 3 385.283 2.557 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CO)CC1CCCC1 ZINC000416447444 563830031 /nfs/dbraw/zinc/83/00/31/563830031.db2.gz CULAEOVYDMZJHF-AWEZNQCLSA-N -1 3 387.299 2.540 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000369213955 563890036 /nfs/dbraw/zinc/89/00/36/563890036.db2.gz IAVKBLVUKCKWBN-GHMZBOCLSA-N -1 3 383.861 2.519 20 30 GFEDHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(C#N)CCSC ZINC000508127112 564255715 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GFEDHM C[C@](CO)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000480858573 564491222 /nfs/dbraw/zinc/49/12/22/564491222.db2.gz SXNKMVMQIPLFDN-GOSISDBHSA-N -1 3 378.881 2.731 20 30 GFEDHM C[C@H](Sc1n[n-]c(CO)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000516531893 564504127 /nfs/dbraw/zinc/50/41/27/564504127.db2.gz YABMIBHAGIUQPT-VIFPVBQESA-N -1 3 377.495 2.618 20 30 GFEDHM N#Cc1ccc(OCCNC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000547749351 564509450 /nfs/dbraw/zinc/50/94/50/564509450.db2.gz IDUOCARQKLSEED-UHFFFAOYSA-N -1 3 375.222 2.764 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000518057796 564545210 /nfs/dbraw/zinc/54/52/10/564545210.db2.gz BJUQWMVQAIORRY-QWHCGFSZSA-N -1 3 378.251 2.550 20 30 GFEDHM O=S(=O)([N-][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(C(F)(F)F)cc1F ZINC000548367968 564549893 /nfs/dbraw/zinc/54/98/93/564549893.db2.gz BBBGMQAAIDLUFK-SECBINFHSA-N -1 3 394.312 2.759 20 30 GFEDHM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000487378806 564685550 /nfs/dbraw/zinc/68/55/50/564685550.db2.gz OGOVIAXEIVFINM-MRXNPFEDSA-N -1 3 386.539 2.958 20 30 GFEDHM N#CCCC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000487406414 564687228 /nfs/dbraw/zinc/68/72/28/564687228.db2.gz QQWMUGRUMNVFMN-HNNXBMFYSA-N -1 3 377.491 2.578 20 30 GFEDHM CN(C)C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000528545256 564793378 /nfs/dbraw/zinc/79/33/78/564793378.db2.gz DVSKRYMUYPJHGU-HNNXBMFYSA-N -1 3 399.303 2.841 20 30 GFEDHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2)nc1C ZINC000465501170 564928828 /nfs/dbraw/zinc/92/88/28/564928828.db2.gz HUQDGUIOSAWMQU-LLVKDONJSA-N -1 3 379.463 2.539 20 30 GFEDHM N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(Br)cc2[O-])cn1 ZINC000500030586 564943236 /nfs/dbraw/zinc/94/32/36/564943236.db2.gz BENXSFOBKRKEAY-UHFFFAOYSA-N -1 3 398.220 2.788 20 30 GFEDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1OC ZINC000533096141 564954770 /nfs/dbraw/zinc/95/47/70/564954770.db2.gz MUJMJLOJLGJTHQ-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)c(Cl)c1 ZINC000503471128 565019972 /nfs/dbraw/zinc/01/99/72/565019972.db2.gz RGUAVFOGQOAMBP-UHFFFAOYSA-N -1 3 380.838 2.802 20 30 GFEDHM C=CCN(Cc1cccs1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000505119411 565049278 /nfs/dbraw/zinc/04/92/78/565049278.db2.gz JYTFDXUCIPWJMA-UHFFFAOYSA-N -1 3 390.939 2.956 20 30 GFEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000657148151 565077940 /nfs/dbraw/zinc/07/79/40/565077940.db2.gz SPHADWKLLIKXDR-CQSZACIVSA-N -1 3 389.901 2.626 20 30 GFEDHM CCOC(=O)c1sc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)nc1C ZINC000613934217 565086783 /nfs/dbraw/zinc/08/67/83/565086783.db2.gz GVQPLDHEDSGKCL-UHFFFAOYSA-N -1 3 385.511 2.522 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000588144276 565128615 /nfs/dbraw/zinc/12/86/15/565128615.db2.gz CMTYHLBHLCRDST-LBPRGKRZSA-N -1 3 385.272 2.919 20 30 GFEDHM C[N-]S(=O)(=O)c1ccc(CNc2cccc(Br)c2C#N)s1 ZINC000589564667 565166610 /nfs/dbraw/zinc/16/66/10/565166610.db2.gz SFVKJENDEZYCAT-UHFFFAOYSA-N -1 3 386.296 2.902 20 30 GFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1Oc1ccccc1 ZINC000593585112 565345193 /nfs/dbraw/zinc/34/51/93/565345193.db2.gz QXIRQIQACWFSNM-CKEIUWERSA-N -1 3 378.475 2.523 20 30 GFEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619752590 565357126 /nfs/dbraw/zinc/35/71/26/565357126.db2.gz CWQARQCXVYZLSL-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000619753360 565358670 /nfs/dbraw/zinc/35/86/70/565358670.db2.gz YBZZMQZLJDISOE-UHFFFAOYSA-N -1 3 382.825 2.632 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594485684 565394756 /nfs/dbraw/zinc/39/47/56/565394756.db2.gz SFPYRSFATZUHMT-ZBFHGGJFSA-N -1 3 399.310 2.947 20 30 GFEDHM Cn1cc(C[C@@H]2CCC[C@@H]2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000594859219 565431448 /nfs/dbraw/zinc/43/14/48/565431448.db2.gz CPGBAYGXNRARAZ-BBRMVZONSA-N -1 3 378.885 2.635 20 30 GFEDHM CNC(=O)CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCC1 ZINC000595367569 565469548 /nfs/dbraw/zinc/46/95/48/565469548.db2.gz QIRZZWIIJBNCTK-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000644865156 565499171 /nfs/dbraw/zinc/49/91/71/565499171.db2.gz ZPRUPQRUMHDBCE-AAEUAGOBSA-N -1 3 390.299 2.717 20 30 GFEDHM C[C@@H](C#N)N(C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000598137218 565596097 /nfs/dbraw/zinc/59/60/97/565596097.db2.gz KGCWFKFQHCIPTD-VIFPVBQESA-N -1 3 375.372 2.594 20 30 GFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000598888296 565647839 /nfs/dbraw/zinc/64/78/39/565647839.db2.gz IKMWFWGJKBKWAM-UHFFFAOYSA-N -1 3 376.419 2.746 20 30 GFEDHM C=CCOc1c(Br)cc(CN[C@@](C)(COC)C(=O)[O-])cc1OC ZINC000671162944 565754441 /nfs/dbraw/zinc/75/44/41/565754441.db2.gz IWHLHQMOUGMKGN-INIZCTEOSA-N -1 3 388.258 2.602 20 30 GFEDHM C[C@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)c1nc(C(F)(F)F)no1 ZINC000627820675 565754649 /nfs/dbraw/zinc/75/46/49/565754649.db2.gz SFGPUWSCQPZQDV-YFKPBYRVSA-N -1 3 385.211 2.870 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000603045750 565882832 /nfs/dbraw/zinc/88/28/32/565882832.db2.gz WEANGGSSLPVLPB-UHFFFAOYSA-N -1 3 376.258 2.920 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)nn1 ZINC000632635613 566052146 /nfs/dbraw/zinc/05/21/46/566052146.db2.gz DYSFEVYXKJQIJB-UHFFFAOYSA-N -1 3 391.280 2.648 20 30 GFEDHM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000657037342 566210463 /nfs/dbraw/zinc/21/04/63/566210463.db2.gz XTCSSDQFTGQXRB-DOMZBBRYSA-N -1 3 390.502 2.610 20 30 GFEDHM C#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735374984 598851267 /nfs/dbraw/zinc/85/12/67/598851267.db2.gz HKQPVBHUXPCYQV-UHFFFAOYSA-N -1 3 378.392 2.812 20 30 GFEDHM C#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735374984 598851270 /nfs/dbraw/zinc/85/12/70/598851270.db2.gz HKQPVBHUXPCYQV-UHFFFAOYSA-N -1 3 378.392 2.812 20 30 GFEDHM CN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1(C#N)CCC1 ZINC000736742640 598932950 /nfs/dbraw/zinc/93/29/50/598932950.db2.gz SBFQCXUXQHBYMD-UHFFFAOYSA-N -1 3 388.431 2.964 20 30 GFEDHM CN(C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1(C#N)CCC1 ZINC000736742640 598932952 /nfs/dbraw/zinc/93/29/52/598932952.db2.gz SBFQCXUXQHBYMD-UHFFFAOYSA-N -1 3 388.431 2.964 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000735390255 598957351 /nfs/dbraw/zinc/95/73/51/598957351.db2.gz VPCQDUUCUDTNDG-UHFFFAOYSA-N -1 3 381.461 2.760 20 30 GFEDHM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000735390255 598957354 /nfs/dbraw/zinc/95/73/54/598957354.db2.gz VPCQDUUCUDTNDG-UHFFFAOYSA-N -1 3 381.461 2.760 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736482240 598998298 /nfs/dbraw/zinc/99/82/98/598998298.db2.gz YVYDQJAHSOPTSU-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736482240 598998300 /nfs/dbraw/zinc/99/83/00/598998300.db2.gz YVYDQJAHSOPTSU-UHFFFAOYSA-N -1 3 396.476 2.648 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736336596 599003054 /nfs/dbraw/zinc/00/30/54/599003054.db2.gz DKLMISDVPOBLOQ-UHFFFAOYSA-N -1 3 376.486 2.516 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736336596 599003056 /nfs/dbraw/zinc/00/30/56/599003056.db2.gz DKLMISDVPOBLOQ-UHFFFAOYSA-N -1 3 376.486 2.516 20 30 GFEDHM C=CCOc1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735437807 599114353 /nfs/dbraw/zinc/11/43/53/599114353.db2.gz QNNVHTSMXQPKQF-UHFFFAOYSA-N -1 3 379.420 2.725 20 30 GFEDHM C=CCOc1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735437807 599114356 /nfs/dbraw/zinc/11/43/56/599114356.db2.gz QNNVHTSMXQPKQF-UHFFFAOYSA-N -1 3 379.420 2.725 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735374215 599230160 /nfs/dbraw/zinc/23/01/60/599230160.db2.gz FJPPWLRIXLIDAQ-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM C#CCN(CC#CC)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735374215 599230162 /nfs/dbraw/zinc/23/01/62/599230162.db2.gz FJPPWLRIXLIDAQ-UHFFFAOYSA-N -1 3 385.427 2.544 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000819745569 607273165 /nfs/dbraw/zinc/27/31/65/607273165.db2.gz KFVRXQFPMMRJRT-UHFFFAOYSA-N -1 3 398.448 2.935 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000819745569 607273166 /nfs/dbraw/zinc/27/31/66/607273166.db2.gz KFVRXQFPMMRJRT-UHFFFAOYSA-N -1 3 398.448 2.935 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000819702197 599274002 /nfs/dbraw/zinc/27/40/02/599274002.db2.gz SSIFUZNZZPETAK-UHFFFAOYSA-N -1 3 382.355 2.670 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000819702197 599274005 /nfs/dbraw/zinc/27/40/05/599274005.db2.gz SSIFUZNZZPETAK-UHFFFAOYSA-N -1 3 382.355 2.670 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735387917 598366056 /nfs/dbraw/zinc/36/60/56/598366056.db2.gz KXHCVRKAKFTXRI-UHFFFAOYSA-N -1 3 375.417 2.677 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735387917 598366058 /nfs/dbraw/zinc/36/60/58/598366058.db2.gz KXHCVRKAKFTXRI-UHFFFAOYSA-N -1 3 375.417 2.677 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735387835 598417571 /nfs/dbraw/zinc/41/75/71/598417571.db2.gz HOPSEZOEULBUND-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735387835 598417572 /nfs/dbraw/zinc/41/75/72/598417572.db2.gz HOPSEZOEULBUND-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000735873947 598427392 /nfs/dbraw/zinc/42/73/92/598427392.db2.gz KASOKZQASQLXDS-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000735873947 598427394 /nfs/dbraw/zinc/42/73/94/598427394.db2.gz KASOKZQASQLXDS-UHFFFAOYSA-N -1 3 375.436 2.859 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381353 598433767 /nfs/dbraw/zinc/43/37/67/598433767.db2.gz UFTOBCGNQWAXDU-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736167010 598490135 /nfs/dbraw/zinc/49/01/35/598490135.db2.gz CDZYLVFJAZDNBH-LBPRGKRZSA-N -1 3 379.424 2.701 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736167010 598490137 /nfs/dbraw/zinc/49/01/37/598490137.db2.gz CDZYLVFJAZDNBH-LBPRGKRZSA-N -1 3 379.424 2.701 20 30 GFEDHM Cc1cc(N=NCc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)ncn1 ZINC000737280645 598639721 /nfs/dbraw/zinc/63/97/21/598639721.db2.gz NZMTXXWZCTXXAT-UHFFFAOYSA-N -1 3 386.419 2.990 20 30 GFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000736814015 598650498 /nfs/dbraw/zinc/65/04/98/598650498.db2.gz OEDSYJCLZCUVOK-UHFFFAOYSA-N -1 3 390.447 2.946 20 30 GFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000736814015 598650499 /nfs/dbraw/zinc/65/04/99/598650499.db2.gz OEDSYJCLZCUVOK-UHFFFAOYSA-N -1 3 390.447 2.946 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000736181802 598691201 /nfs/dbraw/zinc/69/12/01/598691201.db2.gz AUNYHVMXEFLOED-YCRPNKLZSA-N -1 3 390.447 2.665 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000736181802 598691203 /nfs/dbraw/zinc/69/12/03/598691203.db2.gz AUNYHVMXEFLOED-YCRPNKLZSA-N -1 3 390.447 2.665 20 30 GFEDHM N#Cc1ccc(NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737716240 598769902 /nfs/dbraw/zinc/76/99/02/598769902.db2.gz NJTHWRIPRMGJSK-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736162163 598801682 /nfs/dbraw/zinc/80/16/82/598801682.db2.gz HRKWFPKSMUXWIN-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736162163 598801683 /nfs/dbraw/zinc/80/16/83/598801683.db2.gz HRKWFPKSMUXWIN-SNVBAGLBSA-N -1 3 396.794 2.576 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820174294 607373887 /nfs/dbraw/zinc/37/38/87/607373887.db2.gz QUWFRMOPZOJTCP-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM CC(C)Oc1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820174294 607373890 /nfs/dbraw/zinc/37/38/90/607373890.db2.gz QUWFRMOPZOJTCP-UHFFFAOYSA-N -1 3 377.408 2.576 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)nc1 ZINC000737718982 599428657 /nfs/dbraw/zinc/42/86/57/599428657.db2.gz QWXYNWGSGVIFDB-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)nc1 ZINC000737718982 599428660 /nfs/dbraw/zinc/42/86/60/599428660.db2.gz QWXYNWGSGVIFDB-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM CCO[C@@H](C)c1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cs1 ZINC000736617815 599474955 /nfs/dbraw/zinc/47/49/55/599474955.db2.gz RYVMAJUZNVRZIL-QMMMGPOBSA-N -1 3 388.482 2.562 20 30 GFEDHM CCO[C@@H](C)c1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1 ZINC000736617815 599474957 /nfs/dbraw/zinc/47/49/57/599474957.db2.gz RYVMAJUZNVRZIL-QMMMGPOBSA-N -1 3 388.482 2.562 20 30 GFEDHM C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820323070 599506370 /nfs/dbraw/zinc/50/63/70/599506370.db2.gz WXDOYONMSWZZIJ-LIRRHRJNSA-N -1 3 387.447 2.585 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000820161287 607398393 /nfs/dbraw/zinc/39/83/93/607398393.db2.gz UFHKSLXKXJRDEV-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM CC(C)Oc1ccc(NC(=O)COc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000820161287 607398395 /nfs/dbraw/zinc/39/83/95/607398395.db2.gz UFHKSLXKXJRDEV-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)c1cc2ccccc2n1CC#N ZINC000821745316 607417404 /nfs/dbraw/zinc/41/74/04/607417404.db2.gz PMVQRGJMGJCBPA-UHFFFAOYSA-N -1 3 388.387 2.711 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cc2ccccc2n1CC#N ZINC000821745316 607417405 /nfs/dbraw/zinc/41/74/05/607417405.db2.gz PMVQRGJMGJCBPA-UHFFFAOYSA-N -1 3 388.387 2.711 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824744654 607428295 /nfs/dbraw/zinc/42/82/95/607428295.db2.gz CXBVRPOWEDSVAL-PBHICJAKSA-N -1 3 376.420 2.795 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824744654 607428296 /nfs/dbraw/zinc/42/82/96/607428296.db2.gz CXBVRPOWEDSVAL-PBHICJAKSA-N -1 3 376.420 2.795 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737371119 600398835 /nfs/dbraw/zinc/39/88/35/600398835.db2.gz ZEHKSEHLSDPFFZ-UHFFFAOYSA-N -1 3 384.411 2.991 20 30 GFEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C(=O)[O-])cc1 ZINC000739105281 600596229 /nfs/dbraw/zinc/59/62/29/600596229.db2.gz FVZIGNRRXUEGJN-RTBURBONSA-N -1 3 379.416 2.591 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)nnn1-c1ccccc1 ZINC000822015263 607459875 /nfs/dbraw/zinc/45/98/75/607459875.db2.gz GPIVOKRUWYMLRO-KTKRTIGZSA-N -1 3 375.367 2.791 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)nnn1-c1ccccc1 ZINC000822015263 607459877 /nfs/dbraw/zinc/45/98/77/607459877.db2.gz GPIVOKRUWYMLRO-KTKRTIGZSA-N -1 3 375.367 2.791 20 30 GFEDHM Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822753480 607463979 /nfs/dbraw/zinc/46/39/79/607463979.db2.gz NTKBNYYMDVTDCU-UHFFFAOYSA-N -1 3 384.375 2.574 20 30 GFEDHM Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822753480 607463980 /nfs/dbraw/zinc/46/39/80/607463980.db2.gz NTKBNYYMDVTDCU-UHFFFAOYSA-N -1 3 384.375 2.574 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823919280 607544609 /nfs/dbraw/zinc/54/46/09/607544609.db2.gz BITKPNMLMDXELJ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823919280 607544611 /nfs/dbraw/zinc/54/46/11/607544611.db2.gz BITKPNMLMDXELJ-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000831064167 604222780 /nfs/dbraw/zinc/22/27/80/604222780.db2.gz CQCARIHQLUZAGH-FOGDFJRCSA-N -1 3 381.791 2.953 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CSCCS1 ZINC000823909412 607709410 /nfs/dbraw/zinc/70/94/10/607709410.db2.gz BYTDMJPLCWBZNT-HNNXBMFYSA-N -1 3 375.523 2.620 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H]1CSCCS1 ZINC000823909412 607709412 /nfs/dbraw/zinc/70/94/12/607709412.db2.gz BYTDMJPLCWBZNT-HNNXBMFYSA-N -1 3 375.523 2.620 20 30 GFEDHM N#Cc1cc2ccccc2nc1NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822823407 606068946 /nfs/dbraw/zinc/06/89/46/606068946.db2.gz PKIRCMQHYQIHSK-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM N#Cc1cc2ccccc2nc1NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822823407 606068952 /nfs/dbraw/zinc/06/89/52/606068952.db2.gz PKIRCMQHYQIHSK-UHFFFAOYSA-N -1 3 397.446 2.762 20 30 GFEDHM CCN(CCC#N)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000821206550 606081124 /nfs/dbraw/zinc/08/11/24/606081124.db2.gz CVFOPWXXCQRQHF-GFCCVEGCSA-N -1 3 387.513 2.760 20 30 GFEDHM CCN(CCC#N)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000821206550 606081129 /nfs/dbraw/zinc/08/11/29/606081129.db2.gz CVFOPWXXCQRQHF-GFCCVEGCSA-N -1 3 387.513 2.760 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000822486805 606146546 /nfs/dbraw/zinc/14/65/46/606146546.db2.gz SPQKPAZABIUMHU-UHFFFAOYSA-N -1 3 399.414 2.518 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000822486805 606146548 /nfs/dbraw/zinc/14/65/48/606146548.db2.gz SPQKPAZABIUMHU-UHFFFAOYSA-N -1 3 399.414 2.518 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822801821 606299885 /nfs/dbraw/zinc/29/98/85/606299885.db2.gz PDOXKZJMUAZVBX-HNAYVOBHSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822801821 606299887 /nfs/dbraw/zinc/29/98/87/606299887.db2.gz PDOXKZJMUAZVBX-HNAYVOBHSA-N -1 3 388.431 2.868 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821693114 606304974 /nfs/dbraw/zinc/30/49/74/606304974.db2.gz SAUGJJFHTQURLO-SNAWJCMRSA-N -1 3 386.433 2.858 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821693114 606304975 /nfs/dbraw/zinc/30/49/75/606304975.db2.gz SAUGJJFHTQURLO-SNAWJCMRSA-N -1 3 386.433 2.858 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822211963 606315576 /nfs/dbraw/zinc/31/55/76/606315576.db2.gz VRUKJXFTURJHAU-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822211963 606315579 /nfs/dbraw/zinc/31/55/79/606315579.db2.gz VRUKJXFTURJHAU-UHFFFAOYSA-N -1 3 386.375 2.815 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922813 606389451 /nfs/dbraw/zinc/38/94/51/606389451.db2.gz KBCJMWWOTOLDTB-GORDUTHDSA-N -1 3 385.424 2.800 20 30 GFEDHM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820882174 606407257 /nfs/dbraw/zinc/40/72/57/606407257.db2.gz LUXBTGFRVQECLT-BLLLJJGKSA-N -1 3 391.435 2.680 20 30 GFEDHM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820882174 606407258 /nfs/dbraw/zinc/40/72/58/606407258.db2.gz LUXBTGFRVQECLT-BLLLJJGKSA-N -1 3 391.435 2.680 20 30 GFEDHM C=CCc1cc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc(OC)c1OC ZINC000819759006 606500363 /nfs/dbraw/zinc/50/03/63/606500363.db2.gz KQSBKPKJBAQFTN-UHFFFAOYSA-N -1 3 385.449 2.604 20 30 GFEDHM C=CCc1cc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc(OC)c1OC ZINC000819759006 606500365 /nfs/dbraw/zinc/50/03/65/606500365.db2.gz KQSBKPKJBAQFTN-UHFFFAOYSA-N -1 3 385.449 2.604 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC000822801344 606523657 /nfs/dbraw/zinc/52/36/57/606523657.db2.gz HDOSIQQMIXETLR-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC000822801344 606523659 /nfs/dbraw/zinc/52/36/59/606523659.db2.gz HDOSIQQMIXETLR-HNNXBMFYSA-N -1 3 397.236 2.553 20 30 GFEDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823092682 606530328 /nfs/dbraw/zinc/53/03/28/606530328.db2.gz HXDFMZGVZPDWAP-UHFFFAOYSA-N -1 3 385.349 2.596 20 30 GFEDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823092682 606530329 /nfs/dbraw/zinc/53/03/29/606530329.db2.gz HXDFMZGVZPDWAP-UHFFFAOYSA-N -1 3 385.349 2.596 20 30 GFEDHM N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCCCC1 ZINC000822801262 606559380 /nfs/dbraw/zinc/55/93/80/606559380.db2.gz GSFWTOBUBWGQCV-UHFFFAOYSA-N -1 3 377.351 2.985 20 30 GFEDHM N#CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCCCC1 ZINC000822801262 606559382 /nfs/dbraw/zinc/55/93/82/606559382.db2.gz GSFWTOBUBWGQCV-UHFFFAOYSA-N -1 3 377.351 2.985 20 30 GFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)o1 ZINC000823635295 606595823 /nfs/dbraw/zinc/59/58/23/606595823.db2.gz VCDFTCSRZMDHFS-UHFFFAOYSA-N -1 3 380.267 2.520 20 30 GFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)o1 ZINC000823635295 606595824 /nfs/dbraw/zinc/59/58/24/606595824.db2.gz VCDFTCSRZMDHFS-UHFFFAOYSA-N -1 3 380.267 2.520 20 30 GFEDHM N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000822826458 606711815 /nfs/dbraw/zinc/71/18/15/606711815.db2.gz ZJWVWGRONUNZJO-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000822826458 606711817 /nfs/dbraw/zinc/71/18/17/606711817.db2.gz ZJWVWGRONUNZJO-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM N#Cc1ccc(NC(=O)CSCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822830186 606841926 /nfs/dbraw/zinc/84/19/26/606841926.db2.gz WQJYPEPMGCUYHF-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM N#Cc1ccc(NC(=O)CSCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822830186 606841928 /nfs/dbraw/zinc/84/19/28/606841928.db2.gz WQJYPEPMGCUYHF-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM C#CCOc1cccc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819709949 607083987 /nfs/dbraw/zinc/08/39/87/607083987.db2.gz UNJIMDDZKBUODO-UHFFFAOYSA-N -1 3 392.415 2.780 20 30 GFEDHM C#CCOc1cccc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819709949 607083989 /nfs/dbraw/zinc/08/39/89/607083989.db2.gz UNJIMDDZKBUODO-UHFFFAOYSA-N -1 3 392.415 2.780 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cc(C#N)ccc1F ZINC000820004794 607091003 /nfs/dbraw/zinc/09/10/03/607091003.db2.gz CGWXWHRTRFIANG-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cc(C#N)ccc1F ZINC000820004794 607091005 /nfs/dbraw/zinc/09/10/05/607091005.db2.gz CGWXWHRTRFIANG-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM C[C@H](C#N)CN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CC1 ZINC000824034913 607823763 /nfs/dbraw/zinc/82/37/63/607823763.db2.gz QLOMWIWYIIKMQN-CYBMUJFWSA-N -1 3 392.419 2.803 20 30 GFEDHM C[C@H](C#N)CN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C1CC1 ZINC000824034913 607823764 /nfs/dbraw/zinc/82/37/64/607823764.db2.gz QLOMWIWYIIKMQN-CYBMUJFWSA-N -1 3 392.419 2.803 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825270661 607859769 /nfs/dbraw/zinc/85/97/69/607859769.db2.gz BAISLJTWONIGSL-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825270661 607859770 /nfs/dbraw/zinc/85/97/70/607859770.db2.gz BAISLJTWONIGSL-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM C=C(C)[C@H](CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)OCC ZINC000823872807 607893736 /nfs/dbraw/zinc/89/37/36/607893736.db2.gz DUKVVDAVMLYHAS-SFHVURJKSA-N -1 3 385.468 2.608 20 30 GFEDHM C=C(C)[C@H](CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)OCC ZINC000823872807 607893737 /nfs/dbraw/zinc/89/37/37/607893737.db2.gz DUKVVDAVMLYHAS-SFHVURJKSA-N -1 3 385.468 2.608 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823899575 607944465 /nfs/dbraw/zinc/94/44/65/607944465.db2.gz YNCXKCDDKOVRHM-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823899575 607944466 /nfs/dbraw/zinc/94/44/66/607944466.db2.gz YNCXKCDDKOVRHM-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM N#CCc1ccc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826382026 607982202 /nfs/dbraw/zinc/98/22/02/607982202.db2.gz LGOCPUQZKWGYFD-UHFFFAOYSA-N -1 3 388.431 2.616 20 30 GFEDHM C[C@@]1(C#N)CCCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000824778916 608140382 /nfs/dbraw/zinc/14/03/82/608140382.db2.gz RHENOFNESJPHHF-FQEVSTJZSA-N -1 3 389.419 2.820 20 30 GFEDHM C[C@@]1(C#N)CCCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000824778916 608140383 /nfs/dbraw/zinc/14/03/83/608140383.db2.gz RHENOFNESJPHHF-FQEVSTJZSA-N -1 3 389.419 2.820 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1CON=C(C)c1ccc(NC(C)=O)cc1 ZINC000826173299 608324214 /nfs/dbraw/zinc/32/42/14/608324214.db2.gz WQIAQGXXKXVIQR-UHFFFAOYSA-N -1 3 380.408 2.775 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1CON=C(C)c1ccc(NC(C)=O)cc1 ZINC000826173299 608324216 /nfs/dbraw/zinc/32/42/16/608324216.db2.gz WQIAQGXXKXVIQR-UHFFFAOYSA-N -1 3 380.408 2.775 20 30 GFEDHM CCc1nnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C#N)c1CC ZINC000825766741 608441284 /nfs/dbraw/zinc/44/12/84/608441284.db2.gz CMRZYQNVBXUFGW-UHFFFAOYSA-N -1 3 386.463 2.947 20 30 GFEDHM CCc1nnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C#N)c1CC ZINC000825766741 608441286 /nfs/dbraw/zinc/44/12/86/608441286.db2.gz CMRZYQNVBXUFGW-UHFFFAOYSA-N -1 3 386.463 2.947 20 30 GFEDHM N#Cc1nnc2ccccc2c1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826388276 608444054 /nfs/dbraw/zinc/44/40/54/608444054.db2.gz PUWRQPOXVAACFB-UHFFFAOYSA-N -1 3 380.415 2.975 20 30 GFEDHM N#Cc1nnc2ccccc2c1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826388276 608444057 /nfs/dbraw/zinc/44/40/57/608444057.db2.gz PUWRQPOXVAACFB-UHFFFAOYSA-N -1 3 380.415 2.975 20 30 GFEDHM N#Cc1cccc(C2(NCc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CC2)c1 ZINC000826386882 608529744 /nfs/dbraw/zinc/52/97/44/608529744.db2.gz WPYWMKXPVWRLIU-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM N#Cc1cccc(C2(NCc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CC2)c1 ZINC000826386882 608529746 /nfs/dbraw/zinc/52/97/46/608529746.db2.gz WPYWMKXPVWRLIU-UHFFFAOYSA-N -1 3 384.403 2.567 20 30 GFEDHM C#CCCOc1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000823845352 608852111 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GFEDHM Cn1cc(C=NNCCCc2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359413 609306904 /nfs/dbraw/zinc/30/69/04/609306904.db2.gz GIEJGZHSZUYNIY-UHFFFAOYSA-N -1 3 386.463 2.824 20 30 GFEDHM C#CCOc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000823856355 609319883 /nfs/dbraw/zinc/31/98/83/609319883.db2.gz PIHGFJPEYVLUTR-UHFFFAOYSA-N -1 3 389.394 2.816 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824034891 609512258 /nfs/dbraw/zinc/51/22/58/609512258.db2.gz QGCOJKIAVNVIKP-NSHDSACASA-N -1 3 397.826 2.862 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824034891 609512259 /nfs/dbraw/zinc/51/22/59/609512259.db2.gz QGCOJKIAVNVIKP-NSHDSACASA-N -1 3 397.826 2.862 20 30 GFEDHM O=C(CCSc1ccnc2cc(Cl)ccc21)N[C@@H]1CCCN([O-])C1=O ZINC000820482493 660295058 /nfs/dbraw/zinc/29/50/58/660295058.db2.gz LIEITKJTXNYNLJ-CYBMUJFWSA-N -1 3 379.869 2.867 20 30 GFEDHM Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)cs1 ZINC000820481985 660295090 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CCCOc1c(Br)cc(C=NN2CC(=O)[N-]C2=O)cc1OCC ZINC000744809865 655745399 /nfs/dbraw/zinc/74/53/99/655745399.db2.gz AFIRLKLBZRPMAQ-UHFFFAOYSA-N -1 3 384.230 2.522 20 30 GFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc2c(s1)SCC(=O)N2 ZINC000778542430 656884094 /nfs/dbraw/zinc/88/40/94/656884094.db2.gz XMNMLLGULZPBHS-UHFFFAOYSA-N -1 3 395.531 2.678 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H]1CCCO1 ZINC000797454600 659024839 /nfs/dbraw/zinc/02/48/39/659024839.db2.gz PTQHAUQEHXYZHN-VXGBXAGGSA-N -1 3 378.675 2.562 20 30 GFEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CC1 ZINC000797463124 659026649 /nfs/dbraw/zinc/02/66/49/659026649.db2.gz DOCFXSDCRMKFRM-UHFFFAOYSA-N -1 3 379.663 2.693 20 30 GFEDHM C#C[C@@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000848290728 661639023 /nfs/dbraw/zinc/63/90/23/661639023.db2.gz GYMWUHOJQVWGOR-GFCCVEGCSA-N -1 3 389.304 2.534 20 30 GFEDHM C=CCCO[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000856032361 662017217 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GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000125166898 551319915 /nfs/dbraw/zinc/31/99/15/551319915.db2.gz WSHZNPGIQUINHY-NSHDSACASA-N -1 3 375.837 2.616 20 30 GFEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)C#N)cc1Br ZINC000127302867 551339921 /nfs/dbraw/zinc/33/99/21/551339921.db2.gz HRSWWYMKAJKYHY-ZETCQYMHSA-N -1 3 382.077 2.710 20 30 GFEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000130485986 551365174 /nfs/dbraw/zinc/36/51/74/551365174.db2.gz QZCDOCHHSOOUFW-UHFFFAOYSA-N -1 3 378.491 2.563 20 30 GFEDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155217633 551494563 /nfs/dbraw/zinc/49/45/63/551494563.db2.gz RTRQESYBLZUYGI-SECBINFHSA-N -1 3 384.255 2.965 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000156325682 551519850 /nfs/dbraw/zinc/51/98/50/551519850.db2.gz QKIFVLIKQMCKHB-ZJUUUORDSA-N -1 3 377.344 2.866 20 30 GFEDHM N#CCCCCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161829485 551598773 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GFEDHM CCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCOCC1 ZINC000416412281 563824902 /nfs/dbraw/zinc/82/49/02/563824902.db2.gz CKKZULJHNMMYQC-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000278633950 563264223 /nfs/dbraw/zinc/26/42/23/563264223.db2.gz CYWIYYOMCAJUPW-SSDOTTSWSA-N -1 3 387.284 2.520 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)NC2CCN(CCc3ccccc3)CC2)s1 ZINC000373818933 563351943 /nfs/dbraw/zinc/35/19/43/563351943.db2.gz IYOKYJQAOOYASJ-UHFFFAOYSA-N -1 3 375.519 2.605 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(CCc3ccccc3)CC2)s1 ZINC000373818933 563351946 /nfs/dbraw/zinc/35/19/46/563351946.db2.gz IYOKYJQAOOYASJ-UHFFFAOYSA-N -1 3 375.519 2.605 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC(=O)Nc3ccccc32)c1 ZINC000375371964 563401940 /nfs/dbraw/zinc/40/19/40/563401940.db2.gz YIJGGVOJVSHPFC-GFCCVEGCSA-N -1 3 375.837 2.616 20 30 GFEDHM C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428228666 563486135 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CCCCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416356624 563817461 /nfs/dbraw/zinc/81/74/61/563817461.db2.gz BPXHZGKCSJQMBM-UHFFFAOYSA-N -1 3 375.288 2.806 20 30 GFEDHM C=CCSCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000540959380 564261526 /nfs/dbraw/zinc/26/15/26/564261526.db2.gz PSORFTRPZQDDHB-UHFFFAOYSA-N -1 3 383.470 2.604 20 30 GFEDHM COCc1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)n[n-]1 ZINC000474397137 564276699 /nfs/dbraw/zinc/27/66/99/564276699.db2.gz YRVUDSSGDNLUAT-LLVKDONJSA-N -1 3 377.495 2.934 20 30 GFEDHM Cc1cc(C)c(C#N)c(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000509525151 564303161 /nfs/dbraw/zinc/30/31/61/564303161.db2.gz GUSLVDPEQXTOBS-UHFFFAOYSA-N -1 3 382.848 2.753 20 30 GFEDHM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1cc(C(F)(F)F)ccc1F ZINC000543070387 564337286 /nfs/dbraw/zinc/33/72/86/564337286.db2.gz YXHUQEMFOPBWLN-UHFFFAOYSA-N -1 3 393.240 2.725 20 30 GFEDHM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000566873507 564346750 /nfs/dbraw/zinc/34/67/50/564346750.db2.gz KSMOETQLZIMFOU-VIFPVBQESA-N -1 3 376.360 2.566 20 30 GFEDHM C=CCC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCCCC1 ZINC000451944461 564371311 /nfs/dbraw/zinc/37/13/11/564371311.db2.gz ZVWVVUOCRCLLNZ-UHFFFAOYSA-N -1 3 390.502 2.755 20 30 GFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)OCC ZINC000451985919 564376149 /nfs/dbraw/zinc/37/61/49/564376149.db2.gz FEWJOEJETTTXJR-GFCCVEGCSA-N -1 3 394.262 2.764 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)c(F)c1 ZINC000477462400 564377632 /nfs/dbraw/zinc/37/76/32/564377632.db2.gz LHYFJOMOIGTZFG-AWEZNQCLSA-N -1 3 388.848 2.697 20 30 GFEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1cccc(Br)c1)C(=O)OCC ZINC000452003410 564380504 /nfs/dbraw/zinc/38/05/04/564380504.db2.gz ZFEGPNZYCFCPRN-CQSZACIVSA-N -1 3 390.299 2.766 20 30 GFEDHM C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000480846921 564490701 /nfs/dbraw/zinc/49/07/01/564490701.db2.gz PBJKDZRNBGKMRI-SFHVURJKSA-N -1 3 378.881 2.731 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000550435187 564624349 /nfs/dbraw/zinc/62/43/49/564624349.db2.gz FKYYFYSQCCBWFL-UHFFFAOYSA-N -1 3 395.234 2.528 20 30 GFEDHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486500484 564654910 /nfs/dbraw/zinc/65/49/10/564654910.db2.gz RAMVXLNCKGABLM-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM O=C(C[S@@](=O)Cc1cc(F)c(C(F)(F)F)cc1F)[N-]CC(F)(F)F ZINC000488742076 564719127 /nfs/dbraw/zinc/71/91/27/564719127.db2.gz RGXCBQBPBBKRSL-DEOSSOPVSA-N -1 3 383.260 2.911 20 30 GFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cc1F ZINC000557787623 564877032 /nfs/dbraw/zinc/87/70/32/564877032.db2.gz NBNVQNYHKUAXSQ-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000557822562 564878614 /nfs/dbraw/zinc/87/86/14/564878614.db2.gz DXGPCWYESVPIHC-UHFFFAOYSA-N -1 3 386.296 2.873 20 30 GFEDHM C=CC[C@H](CC)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000467693762 564969998 /nfs/dbraw/zinc/96/99/98/564969998.db2.gz CMCLUJJXXFHGGU-NEPJUHHUSA-N -1 3 378.416 2.843 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC000561518178 564998141 /nfs/dbraw/zinc/99/81/41/564998141.db2.gz SWQKYBPBUQQVLM-CQSZACIVSA-N -1 3 387.299 2.540 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561550819 565001418 /nfs/dbraw/zinc/00/14/18/565001418.db2.gz FBAKHZPXBYOEPP-IAQYHMDHSA-N -1 3 385.283 2.580 20 30 GFEDHM COc1ccccc1OCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613919498 565086762 /nfs/dbraw/zinc/08/67/62/565086762.db2.gz ZAYUWLDJBFVNAH-UHFFFAOYSA-N -1 3 380.853 2.968 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000588126145 565127890 /nfs/dbraw/zinc/12/78/90/565127890.db2.gz BNUCYBSBSGHWBB-UHFFFAOYSA-N -1 3 392.278 2.726 20 30 GFEDHM C[C@]1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCO[C@H]1C1CC1 ZINC000588127860 565128197 /nfs/dbraw/zinc/12/81/97/565128197.db2.gz RWENJWDSLRXYLP-GJZGRUSLSA-N -1 3 385.283 2.557 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)NCc1cccs1 ZINC000592079633 565254387 /nfs/dbraw/zinc/25/43/87/565254387.db2.gz BYBDEKHFXWZNKS-HNNXBMFYSA-N -1 3 383.539 2.536 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000593536654 565339563 /nfs/dbraw/zinc/33/95/63/565339563.db2.gz BNUDQUPRZVHRAU-GFCCVEGCSA-N -1 3 375.475 2.786 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000651551515 565871052 /nfs/dbraw/zinc/87/10/52/565871052.db2.gz DGLYJUNAQDKHDR-UHFFFAOYSA-N -1 3 379.345 2.748 20 30 GFEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000609382904 566038185 /nfs/dbraw/zinc/03/81/85/566038185.db2.gz WXVLNRBAKWWJAR-JTQLQIEISA-N -1 3 381.504 2.900 20 30 GFEDHM O=C(CC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[N-]CC(F)(F)F ZINC000679444476 566041737 /nfs/dbraw/zinc/04/17/37/566041737.db2.gz WTFPELZBCLGLHB-KNVOCYPGSA-N -1 3 388.230 2.644 20 30 GFEDHM Cc1nc(C)c(CCC(=O)N[C@H](C#N)c2ccccc2Br)c(=O)[n-]1 ZINC000609590161 566045759 /nfs/dbraw/zinc/04/57/59/566045759.db2.gz DKADIDWFOXSQQK-OAHLLOKOSA-N -1 3 389.253 2.875 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)nn1 ZINC000632635872 566052383 /nfs/dbraw/zinc/05/23/83/566052383.db2.gz PYPFEQJNLUAENZ-UHFFFAOYSA-N -1 3 375.281 2.781 20 30 GFEDHM CCOC(=O)c1sc([N-]C(=O)c2csc(S(C)(=O)=O)c2)c(C#N)c1C ZINC000611226077 566121907 /nfs/dbraw/zinc/12/19/07/566121907.db2.gz YCYJGFFHFUDJTE-UHFFFAOYSA-N -1 3 398.487 2.822 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000737520973 598858401 /nfs/dbraw/zinc/85/84/01/598858401.db2.gz GVSZKUXSGKJZHV-LBPRGKRZSA-N -1 3 399.418 2.505 20 30 GFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000737520973 598858402 /nfs/dbraw/zinc/85/84/02/598858402.db2.gz GVSZKUXSGKJZHV-LBPRGKRZSA-N -1 3 399.418 2.505 20 30 GFEDHM C[C@H](C#N)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735505248 598907641 /nfs/dbraw/zinc/90/76/41/598907641.db2.gz PTCGAECTLXICRI-GFCCVEGCSA-N -1 3 381.465 2.896 20 30 GFEDHM CCOc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736650936 598913913 /nfs/dbraw/zinc/91/39/13/598913913.db2.gz JCYSIASOAIHFDC-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM CCOc1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736650936 598913914 /nfs/dbraw/zinc/91/39/14/598913914.db2.gz JCYSIASOAIHFDC-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737513123 598915437 /nfs/dbraw/zinc/91/54/37/598915437.db2.gz GTTVVSBJAHLYFD-UHFFFAOYSA-N -1 3 392.467 2.779 20 30 GFEDHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737513123 598915439 /nfs/dbraw/zinc/91/54/39/598915439.db2.gz GTTVVSBJAHLYFD-UHFFFAOYSA-N -1 3 392.467 2.779 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Br)s2)cc1-c1nnn[n-]1 ZINC000737720241 598916121 /nfs/dbraw/zinc/91/61/21/598916121.db2.gz ZVEWQMKSGBNLFR-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Br)s2)cc1-c1nn[n-]n1 ZINC000737720241 598916123 /nfs/dbraw/zinc/91/61/23/598916123.db2.gz ZVEWQMKSGBNLFR-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(C)nc1C(C)C ZINC000735420195 598927076 /nfs/dbraw/zinc/92/70/76/598927076.db2.gz NESSDEZWGIMQJM-UHFFFAOYSA-N -1 3 377.452 2.917 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(C)nc1C(C)C ZINC000735420195 598927078 /nfs/dbraw/zinc/92/70/78/598927078.db2.gz NESSDEZWGIMQJM-UHFFFAOYSA-N -1 3 377.452 2.917 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cs1)C1CC1 ZINC000735462439 598977727 /nfs/dbraw/zinc/97/77/27/598977727.db2.gz YTBWUXKWWXZDQV-VMPITWQZSA-N -1 3 380.433 2.735 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cs1)C1CC1 ZINC000735462439 598977729 /nfs/dbraw/zinc/97/77/29/598977729.db2.gz YTBWUXKWWXZDQV-VMPITWQZSA-N -1 3 380.433 2.735 20 30 GFEDHM Cc1cc(F)cc2c1ncc(C#N)c2NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822204080 599048550 /nfs/dbraw/zinc/04/85/50/599048550.db2.gz CLMWGXIQHXYJJV-UHFFFAOYSA-N -1 3 389.394 2.647 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCC3=O)cc2)cc1-c1nnn[n-]1 ZINC000737082796 599153874 /nfs/dbraw/zinc/15/38/74/599153874.db2.gz ZMQAFWSHKRTGRN-ONNFQVAWSA-N -1 3 389.415 2.898 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCC3=O)cc2)cc1-c1nn[n-]n1 ZINC000737082796 599153875 /nfs/dbraw/zinc/15/38/75/599153875.db2.gz ZMQAFWSHKRTGRN-ONNFQVAWSA-N -1 3 389.415 2.898 20 30 GFEDHM N#Cc1ccc(F)c(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822825860 599169172 /nfs/dbraw/zinc/16/91/72/599169172.db2.gz QFYJFMSEMZIWTM-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM N#Cc1ccc(F)c(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822825860 599169174 /nfs/dbraw/zinc/16/91/74/599169174.db2.gz QFYJFMSEMZIWTM-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818378553 597301655 /nfs/dbraw/zinc/30/16/55/597301655.db2.gz XKEBVNZTNCKPCG-UHFFFAOYSA-N -1 3 380.448 2.530 20 30 GFEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C#N)c1C ZINC000821689815 607286265 /nfs/dbraw/zinc/28/62/65/607286265.db2.gz NUXZWJCFSOKDIV-UHFFFAOYSA-N -1 3 391.435 2.727 20 30 GFEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C#N)c1C ZINC000821689815 607286266 /nfs/dbraw/zinc/28/62/66/607286266.db2.gz NUXZWJCFSOKDIV-UHFFFAOYSA-N -1 3 391.435 2.727 20 30 GFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820690559 607301265 /nfs/dbraw/zinc/30/12/65/607301265.db2.gz NYHZWVWVCGYIAV-XOBRGWDASA-N -1 3 395.467 2.564 20 30 GFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820690559 607301266 /nfs/dbraw/zinc/30/12/66/607301266.db2.gz NYHZWVWVCGYIAV-XOBRGWDASA-N -1 3 395.467 2.564 20 30 GFEDHM CN(Cc1cccc(C#N)c1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736822304 599269073 /nfs/dbraw/zinc/26/90/73/599269073.db2.gz LEQBCBCZGYMDKH-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM CN(Cc1cccc(C#N)c1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736822304 599269075 /nfs/dbraw/zinc/26/90/75/599269075.db2.gz LEQBCBCZGYMDKH-UHFFFAOYSA-N -1 3 386.375 2.831 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819702217 599283087 /nfs/dbraw/zinc/28/30/87/599283087.db2.gz UFVPLLGEQDXNNM-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819702217 599283090 /nfs/dbraw/zinc/28/30/90/599283090.db2.gz UFVPLLGEQDXNNM-UHFFFAOYSA-N -1 3 380.383 2.682 20 30 GFEDHM CCCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821056375 607332611 /nfs/dbraw/zinc/33/26/11/607332611.db2.gz OVEVRHUNRUZENL-UHFFFAOYSA-N -1 3 376.436 2.811 20 30 GFEDHM CCCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821056375 607332612 /nfs/dbraw/zinc/33/26/12/607332612.db2.gz OVEVRHUNRUZENL-UHFFFAOYSA-N -1 3 376.436 2.811 20 30 GFEDHM N#CCn1c(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cc2ccccc21 ZINC000737705135 598289201 /nfs/dbraw/zinc/28/92/01/598289201.db2.gz KXBQVSJHRKZEME-UHFFFAOYSA-N -1 3 397.398 2.955 20 30 GFEDHM N#CCn1c(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cc2ccccc21 ZINC000737705135 598289202 /nfs/dbraw/zinc/28/92/02/598289202.db2.gz KXBQVSJHRKZEME-UHFFFAOYSA-N -1 3 397.398 2.955 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000735418506 598303035 /nfs/dbraw/zinc/30/30/35/598303035.db2.gz GCWTVJDXPQPTTN-UHFFFAOYSA-N -1 3 390.447 2.699 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000735418506 598303036 /nfs/dbraw/zinc/30/30/36/598303036.db2.gz GCWTVJDXPQPTTN-UHFFFAOYSA-N -1 3 390.447 2.699 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735758343 598332607 /nfs/dbraw/zinc/33/26/07/598332607.db2.gz ZRNPNVGKQORGFM-CYBMUJFWSA-N -1 3 380.408 2.707 20 30 GFEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735758343 598332609 /nfs/dbraw/zinc/33/26/09/598332609.db2.gz ZRNPNVGKQORGFM-CYBMUJFWSA-N -1 3 380.408 2.707 20 30 GFEDHM CC(=O)Nc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000735483954 598376501 /nfs/dbraw/zinc/37/65/01/598376501.db2.gz FGUNYGKPGABWAJ-JXMROGBWSA-N -1 3 376.420 2.777 20 30 GFEDHM CC(=O)Nc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000735483954 598376502 /nfs/dbraw/zinc/37/65/02/598376502.db2.gz FGUNYGKPGABWAJ-JXMROGBWSA-N -1 3 376.420 2.777 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1OC ZINC000737080682 598377337 /nfs/dbraw/zinc/37/73/37/598377337.db2.gz GDVGUCZJPRLXDJ-SOFGYWHQSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1OC ZINC000737080682 598377338 /nfs/dbraw/zinc/37/73/38/598377338.db2.gz GDVGUCZJPRLXDJ-SOFGYWHQSA-N -1 3 379.420 2.836 20 30 GFEDHM N#Cc1cnc(N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000737728640 598390161 /nfs/dbraw/zinc/39/01/61/598390161.db2.gz SLMCGTRQKCKWNQ-UHFFFAOYSA-N -1 3 380.843 2.503 20 30 GFEDHM N#Cc1cnc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000737728640 598390163 /nfs/dbraw/zinc/39/01/63/598390163.db2.gz SLMCGTRQKCKWNQ-UHFFFAOYSA-N -1 3 380.843 2.503 20 30 GFEDHM C#CCN1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381692 598407816 /nfs/dbraw/zinc/40/78/16/598407816.db2.gz OXKYACCLWIEWIB-IBGZPJMESA-N -1 3 388.431 2.695 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735387836 598417516 /nfs/dbraw/zinc/41/75/16/598417516.db2.gz HOPSEZOEULBUND-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735387836 598417517 /nfs/dbraw/zinc/41/75/17/598417517.db2.gz HOPSEZOEULBUND-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735388334 598417619 /nfs/dbraw/zinc/41/76/19/598417619.db2.gz ZHVJDPBACMGSSD-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](COC)c1ccccc1 ZINC000735420058 598428940 /nfs/dbraw/zinc/42/89/40/598428940.db2.gz MGJYBXICUWHKHE-LJQANCHMSA-N -1 3 392.463 2.952 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](COC)c1ccccc1 ZINC000735420058 598428941 /nfs/dbraw/zinc/42/89/41/598428941.db2.gz MGJYBXICUWHKHE-LJQANCHMSA-N -1 3 392.463 2.952 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735380279 598433991 /nfs/dbraw/zinc/43/39/91/598433991.db2.gz IDBPRQLVUDMKRC-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735380279 598433992 /nfs/dbraw/zinc/43/39/92/598433992.db2.gz IDBPRQLVUDMKRC-HUUCEWRRSA-N -1 3 392.415 2.950 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSC[C@H]1CCCCO1 ZINC000735418130 598443652 /nfs/dbraw/zinc/44/36/52/598443652.db2.gz BJADHIMSBAVAMW-QGZVFWFLSA-N -1 3 387.509 2.684 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CSC[C@H]1CCCCO1 ZINC000735418130 598443653 /nfs/dbraw/zinc/44/36/53/598443653.db2.gz BJADHIMSBAVAMW-QGZVFWFLSA-N -1 3 387.509 2.684 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737703678 598633384 /nfs/dbraw/zinc/63/33/84/598633384.db2.gz AMQHAJMMOLNQRN-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM N#Cc1c(F)cccc1N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000737703678 598633385 /nfs/dbraw/zinc/63/33/85/598633385.db2.gz AMQHAJMMOLNQRN-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735389882 598659725 /nfs/dbraw/zinc/65/97/25/598659725.db2.gz LVFFNVPNKARYFL-LJQANCHMSA-N -1 3 375.432 2.914 20 30 GFEDHM C#Cc1cccc(N(C)C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735389882 598659726 /nfs/dbraw/zinc/65/97/26/598659726.db2.gz LVFFNVPNKARYFL-LJQANCHMSA-N -1 3 375.432 2.914 20 30 GFEDHM N#Cc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1Cl ZINC000737717219 598669578 /nfs/dbraw/zinc/66/95/78/598669578.db2.gz BCLNPDHDXNIQMQ-UHFFFAOYSA-N -1 3 383.818 2.857 20 30 GFEDHM NC(=NOCc1ccc(F)cc1-c1nnn[n-]1)c1cc(Br)cs1 ZINC000737730789 598676660 /nfs/dbraw/zinc/67/66/60/598676660.db2.gz LMYRVHVOZXSRBH-UHFFFAOYSA-N -1 3 397.233 2.667 20 30 GFEDHM NC(=NOCc1ccc(F)cc1-c1nn[n-]n1)c1cc(Br)cs1 ZINC000737730789 598676661 /nfs/dbraw/zinc/67/66/61/598676661.db2.gz LMYRVHVOZXSRBH-UHFFFAOYSA-N -1 3 397.233 2.667 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)nc1 ZINC000735389642 598735504 /nfs/dbraw/zinc/73/55/04/598735504.db2.gz DRMSGDGAHROTBQ-UHFFFAOYSA-N -1 3 383.371 2.683 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)nc1 ZINC000735389642 598735506 /nfs/dbraw/zinc/73/55/06/598735506.db2.gz DRMSGDGAHROTBQ-UHFFFAOYSA-N -1 3 383.371 2.683 20 30 GFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819746000 599334892 /nfs/dbraw/zinc/33/48/92/599334892.db2.gz XSODWTCIOSAAPL-UHFFFAOYSA-N -1 3 389.868 2.897 20 30 GFEDHM Brc1ccc2ncc(C=NNc3ccc(-c4nn[n-]n4)cc3)n2c1 ZINC000735368193 599367152 /nfs/dbraw/zinc/36/71/52/599367152.db2.gz HKQVTZQEBPNXLX-UHFFFAOYSA-N -1 3 383.213 2.723 20 30 GFEDHM CSc1ccc(OCCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000821984983 599382645 /nfs/dbraw/zinc/38/26/45/599382645.db2.gz WWCXYIAJGBQVQP-UHFFFAOYSA-N -1 3 385.478 2.609 20 30 GFEDHM CSc1ccc(OCCSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000821984983 599382647 /nfs/dbraw/zinc/38/26/47/599382647.db2.gz WWCXYIAJGBQVQP-UHFFFAOYSA-N -1 3 385.478 2.609 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(N2CCCC2=O)cc1 ZINC000737810117 599462142 /nfs/dbraw/zinc/46/21/42/599462142.db2.gz XQZJVJZQGMQIKI-HJWRWDBZSA-N -1 3 399.414 2.537 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(N2CCCC2=O)cc1 ZINC000737810117 599462145 /nfs/dbraw/zinc/46/21/45/599462145.db2.gz XQZJVJZQGMQIKI-HJWRWDBZSA-N -1 3 399.414 2.537 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819744079 599465613 /nfs/dbraw/zinc/46/56/13/599465613.db2.gz VOYJJZIOEXYDKO-UHFFFAOYSA-N -1 3 380.427 2.946 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819744079 599465615 /nfs/dbraw/zinc/46/56/15/599465615.db2.gz VOYJJZIOEXYDKO-UHFFFAOYSA-N -1 3 380.427 2.946 20 30 GFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819701882 599482289 /nfs/dbraw/zinc/48/22/89/599482289.db2.gz OZNGKKQGFJSYEF-AWEZNQCLSA-N -1 3 378.411 2.912 20 30 GFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819701882 599482291 /nfs/dbraw/zinc/48/22/91/599482291.db2.gz OZNGKKQGFJSYEF-AWEZNQCLSA-N -1 3 378.411 2.912 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253533 607405098 /nfs/dbraw/zinc/40/50/98/607405098.db2.gz UQYSZGARPOARBS-UHFFFAOYSA-N -1 3 393.451 2.578 20 30 GFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253533 607405100 /nfs/dbraw/zinc/40/51/00/607405100.db2.gz UQYSZGARPOARBS-UHFFFAOYSA-N -1 3 393.451 2.578 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734093 607438808 /nfs/dbraw/zinc/43/88/08/607438808.db2.gz ICRJKTVIWDAIFO-QGZVFWFLSA-N -1 3 394.410 2.768 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734093 607438810 /nfs/dbraw/zinc/43/88/10/607438810.db2.gz ICRJKTVIWDAIFO-QGZVFWFLSA-N -1 3 394.410 2.768 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734336 607438972 /nfs/dbraw/zinc/43/89/72/607438972.db2.gz MFCCTMFROCIPPV-QGZVFWFLSA-N -1 3 376.420 2.629 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734336 607438973 /nfs/dbraw/zinc/43/89/73/607438973.db2.gz MFCCTMFROCIPPV-QGZVFWFLSA-N -1 3 376.420 2.629 20 30 GFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1ccc(Br)cc1 ZINC000822741325 607465900 /nfs/dbraw/zinc/46/59/00/607465900.db2.gz UZCIPAPDMFTTTF-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1ccc(Br)cc1 ZINC000822741325 607465902 /nfs/dbraw/zinc/46/59/02/607465902.db2.gz UZCIPAPDMFTTTF-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000833073382 601313241 /nfs/dbraw/zinc/31/32/41/601313241.db2.gz AKYFVVWWALRNFP-LJQANCHMSA-N -1 3 384.480 2.780 20 30 GFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000823919430 607518690 /nfs/dbraw/zinc/51/86/90/607518690.db2.gz FMVZFGWKHWPPFY-UHFFFAOYSA-N -1 3 380.408 2.972 20 30 GFEDHM N#Cc1ccccc1/C=C/C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833075006 601733068 /nfs/dbraw/zinc/73/30/68/601733068.db2.gz IUDRZCNDZNFXKY-HRBBJJPOSA-N -1 3 389.455 2.807 20 30 GFEDHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000832103642 602014397 /nfs/dbraw/zinc/01/43/97/602014397.db2.gz WCPWZXFPHSKLEW-MOPGFXCFSA-N -1 3 396.443 2.683 20 30 GFEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823903630 607546506 /nfs/dbraw/zinc/54/65/06/607546506.db2.gz FKROWFCYMFVZFP-UHFFFAOYSA-N -1 3 383.477 2.595 20 30 GFEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823903630 607546508 /nfs/dbraw/zinc/54/65/08/607546508.db2.gz FKROWFCYMFVZFP-UHFFFAOYSA-N -1 3 383.477 2.595 20 30 GFEDHM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1C#N ZINC000826203355 607559545 /nfs/dbraw/zinc/55/95/45/607559545.db2.gz KNZXWFRKFGSDDU-UHFFFAOYSA-N -1 3 393.357 2.607 20 30 GFEDHM COc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1C#N ZINC000826203355 607559547 /nfs/dbraw/zinc/55/95/47/607559547.db2.gz KNZXWFRKFGSDDU-UHFFFAOYSA-N -1 3 393.357 2.607 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000739009918 602377532 /nfs/dbraw/zinc/37/75/32/602377532.db2.gz MUDJAXXWVKNULC-KCQAQPDRSA-N -1 3 386.477 2.983 20 30 GFEDHM CCCN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358980 602544798 /nfs/dbraw/zinc/54/47/98/602544798.db2.gz SXSFHUMESVXFDB-JKSUJKDBSA-N -1 3 393.447 2.688 20 30 GFEDHM C[C@@H](NCC1(NC(=O)[O-])CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000739036812 602730282 /nfs/dbraw/zinc/73/02/82/602730282.db2.gz UODIKVCAYPUKKZ-GFCCVEGCSA-N -1 3 390.509 2.996 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000825252229 604171869 /nfs/dbraw/zinc/17/18/69/604171869.db2.gz CTPOMXRHIQDBTC-BFHYXJOUSA-N -1 3 386.477 2.841 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000822631628 606287835 /nfs/dbraw/zinc/28/78/35/606287835.db2.gz BPMSVWYZLTYJEO-NSHDSACASA-N -1 3 376.207 2.507 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000822631628 606287836 /nfs/dbraw/zinc/28/78/36/606287836.db2.gz BPMSVWYZLTYJEO-NSHDSACASA-N -1 3 376.207 2.507 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822801819 606299991 /nfs/dbraw/zinc/29/99/91/606299991.db2.gz PDOXKZJMUAZVBX-BEFAXECRSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822801819 606299993 /nfs/dbraw/zinc/29/99/93/606299993.db2.gz PDOXKZJMUAZVBX-BEFAXECRSA-N -1 3 388.431 2.868 20 30 GFEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000821337104 606303567 /nfs/dbraw/zinc/30/35/67/606303567.db2.gz BHEBFHVGRJAABD-POHAHGRESA-N -1 3 383.433 2.954 20 30 GFEDHM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000821337104 606303569 /nfs/dbraw/zinc/30/35/69/606303569.db2.gz BHEBFHVGRJAABD-POHAHGRESA-N -1 3 383.433 2.954 20 30 GFEDHM N#CCCCS(=O)(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822806437 606333346 /nfs/dbraw/zinc/33/33/46/606333346.db2.gz MRLLCSMSYYOIOQ-UHFFFAOYSA-N -1 3 385.405 2.671 20 30 GFEDHM N#CCCCS(=O)(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822806437 606333347 /nfs/dbraw/zinc/33/33/47/606333347.db2.gz MRLLCSMSYYOIOQ-UHFFFAOYSA-N -1 3 385.405 2.671 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H](C#N)C1CCCCC1 ZINC000821701471 606363211 /nfs/dbraw/zinc/36/32/11/606363211.db2.gz PQWMSZMSUNOKNQ-MRXNPFEDSA-N -1 3 398.467 2.623 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H](C#N)C1CCCCC1 ZINC000821701471 606363212 /nfs/dbraw/zinc/36/32/12/606363212.db2.gz PQWMSZMSUNOKNQ-MRXNPFEDSA-N -1 3 398.467 2.623 20 30 GFEDHM COc1cccc(C#CCOC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821854462 606396722 /nfs/dbraw/zinc/39/67/22/606396722.db2.gz KHWZSVWWLFZALL-UHFFFAOYSA-N -1 3 394.456 2.703 20 30 GFEDHM COc1cccc(C#CCOC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821854462 606396723 /nfs/dbraw/zinc/39/67/23/606396723.db2.gz KHWZSVWWLFZALL-UHFFFAOYSA-N -1 3 394.456 2.703 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820535663 606412014 /nfs/dbraw/zinc/41/20/14/606412014.db2.gz PTPBVXUITVCGPG-NSHDSACASA-N -1 3 382.811 2.822 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820535663 606412016 /nfs/dbraw/zinc/41/20/16/606412016.db2.gz PTPBVXUITVCGPG-NSHDSACASA-N -1 3 382.811 2.822 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801978 606440905 /nfs/dbraw/zinc/44/09/05/606440905.db2.gz SOBGRLUEAGRCDB-OALUTQOASA-N -1 3 387.447 2.848 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822801978 606440906 /nfs/dbraw/zinc/44/09/06/606440906.db2.gz SOBGRLUEAGRCDB-OALUTQOASA-N -1 3 387.447 2.848 20 30 GFEDHM N#Cc1cc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)ccc1Cl ZINC000822823627 606711688 /nfs/dbraw/zinc/71/16/88/606711688.db2.gz VBMHDLGMWGQXSE-UHFFFAOYSA-N -1 3 395.231 2.846 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000819739643 606740529 /nfs/dbraw/zinc/74/05/29/606740529.db2.gz BIQVUFZXIXCTHF-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000819739643 606740531 /nfs/dbraw/zinc/74/05/31/606740531.db2.gz BIQVUFZXIXCTHF-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM COC[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821681544 606747754 /nfs/dbraw/zinc/74/77/54/606747754.db2.gz NGRFDKRBOMWADQ-RISCZKNCSA-N -1 3 382.449 2.839 20 30 GFEDHM COC[C@H](C)CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821681544 606747756 /nfs/dbraw/zinc/74/77/56/606747756.db2.gz NGRFDKRBOMWADQ-RISCZKNCSA-N -1 3 382.449 2.839 20 30 GFEDHM N#Cc1c(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn2ccccc12 ZINC000822819069 606757381 /nfs/dbraw/zinc/75/73/81/606757381.db2.gz KDFRGVOHLKWOBI-UHFFFAOYSA-N -1 3 380.314 2.626 20 30 GFEDHM N#Cc1c(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn2ccccc12 ZINC000822819069 606757383 /nfs/dbraw/zinc/75/73/83/606757383.db2.gz KDFRGVOHLKWOBI-UHFFFAOYSA-N -1 3 380.314 2.626 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000819743900 606774815 /nfs/dbraw/zinc/77/48/15/606774815.db2.gz SEEZMZAKZYYFLG-KZNAEPCWSA-N -1 3 382.468 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000819743900 606774816 /nfs/dbraw/zinc/77/48/16/606774816.db2.gz SEEZMZAKZYYFLG-KZNAEPCWSA-N -1 3 382.468 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc(Br)c1 ZINC000819745594 606904175 /nfs/dbraw/zinc/90/41/75/606904175.db2.gz LIBFKHCJGHLTGZ-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(Br)c1 ZINC000819745594 606904176 /nfs/dbraw/zinc/90/41/76/606904176.db2.gz LIBFKHCJGHLTGZ-UHFFFAOYSA-N -1 3 399.252 2.853 20 30 GFEDHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC000819951605 607017888 /nfs/dbraw/zinc/01/78/88/607017888.db2.gz UUFRVVYTKJDPCS-UHFFFAOYSA-N -1 3 391.435 2.882 20 30 GFEDHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC000819951605 607017889 /nfs/dbraw/zinc/01/78/89/607017889.db2.gz UUFRVVYTKJDPCS-UHFFFAOYSA-N -1 3 391.435 2.882 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOc1cccc(C#N)c1 ZINC000820005900 607117553 /nfs/dbraw/zinc/11/75/53/607117553.db2.gz YYEAJGGRKUPXRA-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOc1cccc(C#N)c1 ZINC000820005900 607117556 /nfs/dbraw/zinc/11/75/56/607117556.db2.gz YYEAJGGRKUPXRA-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(C)c1nc(C#N)c(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)o1 ZINC000819965655 607148521 /nfs/dbraw/zinc/14/85/21/607148521.db2.gz LTPAEGMTKUXUAZ-UHFFFAOYSA-N -1 3 375.396 2.951 20 30 GFEDHM CC(C)(C)c1nc(C#N)c(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)o1 ZINC000819965655 607148523 /nfs/dbraw/zinc/14/85/23/607148523.db2.gz LTPAEGMTKUXUAZ-UHFFFAOYSA-N -1 3 375.396 2.951 20 30 GFEDHM N#CCOc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822814514 607203725 /nfs/dbraw/zinc/20/37/25/607203725.db2.gz HEGPKWJVCYQGSZ-UHFFFAOYSA-N -1 3 383.799 2.744 20 30 GFEDHM N#CCOc1ccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822814514 607203726 /nfs/dbraw/zinc/20/37/26/607203726.db2.gz HEGPKWJVCYQGSZ-UHFFFAOYSA-N -1 3 383.799 2.744 20 30 GFEDHM N#Cc1cccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826386405 607846068 /nfs/dbraw/zinc/84/60/68/607846068.db2.gz CLDZKTMBBDKTAZ-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM N#Cc1cccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826386405 607846069 /nfs/dbraw/zinc/84/60/69/607846069.db2.gz CLDZKTMBBDKTAZ-UHFFFAOYSA-N -1 3 384.852 2.800 20 30 GFEDHM CCCCCCCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825271427 607861750 /nfs/dbraw/zinc/86/17/50/607861750.db2.gz JMVCHJFFPVJAIE-UHFFFAOYSA-N -1 3 382.472 2.725 20 30 GFEDHM CCCCCCCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825271427 607861751 /nfs/dbraw/zinc/86/17/51/607861751.db2.gz JMVCHJFFPVJAIE-UHFFFAOYSA-N -1 3 382.472 2.725 20 30 GFEDHM FC(F)(F)c1cc(NN=Cc2cn(-c3ccccc3)nn2)ccc1-c1nnn[n-]1 ZINC000826368369 607888233 /nfs/dbraw/zinc/88/82/33/607888233.db2.gz MTMNVKBCUYEBFM-UHFFFAOYSA-N -1 3 399.340 2.912 20 30 GFEDHM FC(F)(F)c1cc(NN=Cc2cn(-c3ccccc3)nn2)ccc1-c1nn[n-]n1 ZINC000826368369 607888234 /nfs/dbraw/zinc/88/82/34/607888234.db2.gz MTMNVKBCUYEBFM-UHFFFAOYSA-N -1 3 399.340 2.912 20 30 GFEDHM CCOc1ccccc1C=NOCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825654067 607890202 /nfs/dbraw/zinc/89/02/02/607890202.db2.gz NNKKSQRCWUIVAA-UHFFFAOYSA-N -1 3 381.392 2.603 20 30 GFEDHM CCOc1ccccc1C=NOCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825654067 607890203 /nfs/dbraw/zinc/89/02/03/607890203.db2.gz NNKKSQRCWUIVAA-UHFFFAOYSA-N -1 3 381.392 2.603 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1)OCC ZINC000823873962 607921024 /nfs/dbraw/zinc/92/10/24/607921024.db2.gz QMJFEJSLSBICHN-LLVKDONJSA-N -1 3 393.469 2.723 20 30 GFEDHM C=C(C)[C@@H](CC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1)OCC ZINC000823873962 607921025 /nfs/dbraw/zinc/92/10/25/607921025.db2.gz QMJFEJSLSBICHN-LLVKDONJSA-N -1 3 393.469 2.723 20 30 GFEDHM C=CCCOCCNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823898921 607931318 /nfs/dbraw/zinc/93/13/18/607931318.db2.gz FTUFIQRLKGCGOK-UHFFFAOYSA-N -1 3 399.480 2.628 20 30 GFEDHM C=CCCOCCNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823898921 607931319 /nfs/dbraw/zinc/93/13/19/607931319.db2.gz FTUFIQRLKGCGOK-UHFFFAOYSA-N -1 3 399.480 2.628 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(CCCOc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386597 608071835 /nfs/dbraw/zinc/07/18/35/608071835.db2.gz LIHWROYQXLPIJP-FQEVSTJZSA-N -1 3 390.447 2.581 20 30 GFEDHM N#Cc1cccc([C@@H]2CN(CCCOc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386597 608071836 /nfs/dbraw/zinc/07/18/36/608071836.db2.gz LIHWROYQXLPIJP-FQEVSTJZSA-N -1 3 390.447 2.581 20 30 GFEDHM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958572 608094803 /nfs/dbraw/zinc/09/48/03/608094803.db2.gz RDWAELOPQDLYDX-UHFFFAOYSA-N -1 3 398.420 2.761 20 30 GFEDHM C[C@@]1(C#N)CCCN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000824778094 608125781 /nfs/dbraw/zinc/12/57/81/608125781.db2.gz NMUCNXSRCDZCQW-IBGZPJMESA-N -1 3 399.524 2.761 20 30 GFEDHM C[C@@]1(C#N)CCCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000824778094 608125782 /nfs/dbraw/zinc/12/57/82/608125782.db2.gz NMUCNXSRCDZCQW-IBGZPJMESA-N -1 3 399.524 2.761 20 30 GFEDHM C#CCOCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823856401 608130812 /nfs/dbraw/zinc/13/08/12/608130812.db2.gz QVLOURIFEKWQCD-OAHLLOKOSA-N -1 3 390.447 2.544 20 30 GFEDHM C#CCOCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823856401 608130813 /nfs/dbraw/zinc/13/08/13/608130813.db2.gz QVLOURIFEKWQCD-OAHLLOKOSA-N -1 3 390.447 2.544 20 30 GFEDHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000824114635 608159384 /nfs/dbraw/zinc/15/93/84/608159384.db2.gz XRWAIXMLHIFDTD-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000824114635 608159385 /nfs/dbraw/zinc/15/93/85/608159385.db2.gz XRWAIXMLHIFDTD-UHFFFAOYSA-N -1 3 390.403 2.946 20 30 GFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000826249491 608163292 /nfs/dbraw/zinc/16/32/92/608163292.db2.gz FXCJUTBSESGEHY-UHFFFAOYSA-N -1 3 383.755 2.861 20 30 GFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000826249491 608163294 /nfs/dbraw/zinc/16/32/94/608163294.db2.gz FXCJUTBSESGEHY-UHFFFAOYSA-N -1 3 383.755 2.861 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000825787870 608176667 /nfs/dbraw/zinc/17/66/67/608176667.db2.gz LJSXISWQMUPYEK-UHFFFAOYSA-N -1 3 386.419 2.679 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000825787870 608176669 /nfs/dbraw/zinc/17/66/69/608176669.db2.gz LJSXISWQMUPYEK-UHFFFAOYSA-N -1 3 386.419 2.679 20 30 GFEDHM Cc1nn(-c2ccccc2)c(CN(C)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826332596 608308874 /nfs/dbraw/zinc/30/88/74/608308874.db2.gz YTGPHXQIHJTXMV-UHFFFAOYSA-N -1 3 384.447 2.865 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2c(C3CC3)nc3sccn23)n1 ZINC000826350267 608537360 /nfs/dbraw/zinc/53/73/60/608537360.db2.gz ONWHRIGAVRHUKQ-UHFFFAOYSA-N -1 3 385.844 2.948 20 30 GFEDHM N#C[C@H]1CSCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826380876 608548010 /nfs/dbraw/zinc/54/80/10/608548010.db2.gz PBGFTYPBVXZQER-HNNXBMFYSA-N -1 3 392.444 2.740 20 30 GFEDHM N#C[C@H]1CSCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826380876 608548011 /nfs/dbraw/zinc/54/80/11/608548011.db2.gz PBGFTYPBVXZQER-HNNXBMFYSA-N -1 3 392.444 2.740 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1[N+](=O)[O-] ZINC000826178628 608879493 /nfs/dbraw/zinc/87/94/93/608879493.db2.gz FTWJIYPEQXRBMT-VURMDHGXSA-N -1 3 394.391 2.736 20 30 GFEDHM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1[N+](=O)[O-] ZINC000826178628 608879494 /nfs/dbraw/zinc/87/94/94/608879494.db2.gz FTWJIYPEQXRBMT-VURMDHGXSA-N -1 3 394.391 2.736 20 30 GFEDHM N#CC1(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000826380040 609154759 /nfs/dbraw/zinc/15/47/59/609154759.db2.gz LAHZQJACOJGYEJ-KRWDZBQOSA-N -1 3 380.452 2.853 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000825481403 609179463 /nfs/dbraw/zinc/17/94/63/609179463.db2.gz YKNDYJOYOSPOQA-UHFFFAOYSA-N -1 3 387.407 2.832 20 30 GFEDHM Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)nn1CCC#N ZINC000826270158 609274642 /nfs/dbraw/zinc/27/46/42/609274642.db2.gz NSYZOGVPVPHFQS-UHFFFAOYSA-N -1 3 393.455 2.728 20 30 GFEDHM Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)nn1CCC#N ZINC000826270158 609274643 /nfs/dbraw/zinc/27/46/43/609274643.db2.gz NSYZOGVPVPHFQS-UHFFFAOYSA-N -1 3 393.455 2.728 20 30 GFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC ZINC000826190683 609282706 /nfs/dbraw/zinc/28/27/06/609282706.db2.gz JODJAXNJLAVWSD-GFCCVEGCSA-N -1 3 392.419 2.573 20 30 GFEDHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1OC ZINC000826190683 609282709 /nfs/dbraw/zinc/28/27/09/609282709.db2.gz JODJAXNJLAVWSD-GFCCVEGCSA-N -1 3 392.419 2.573 20 30 GFEDHM Cn1cc(C=CC(=O)c2cc(O)cc(O)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359868 609309779 /nfs/dbraw/zinc/30/97/79/609309779.db2.gz RVBWBJGOCHLQSC-VOTSOKGWSA-N -1 3 388.387 2.575 20 30 GFEDHM Cn1cc(C=CC(=O)c2cncc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359941 609309935 /nfs/dbraw/zinc/30/99/35/609309935.db2.gz TVDBJRCESPLKOO-SREVYHEPSA-N -1 3 375.367 2.697 20 30 GFEDHM Cn1cc(C=CC(=O)c2cncc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359941 609309937 /nfs/dbraw/zinc/30/99/37/609309937.db2.gz TVDBJRCESPLKOO-SREVYHEPSA-N -1 3 375.367 2.697 20 30 GFEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823919762 609353279 /nfs/dbraw/zinc/35/32/79/609353279.db2.gz PMROPWVSIUWZEG-CYBMUJFWSA-N -1 3 393.403 2.507 20 30 GFEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823919762 609353282 /nfs/dbraw/zinc/35/32/82/609353282.db2.gz PMROPWVSIUWZEG-CYBMUJFWSA-N -1 3 393.403 2.507 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000823877763 609371209 /nfs/dbraw/zinc/37/12/09/609371209.db2.gz FIFCTQYHCYFVKN-UHFFFAOYSA-N -1 3 397.458 2.860 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000823877763 609371212 /nfs/dbraw/zinc/37/12/12/609371212.db2.gz FIFCTQYHCYFVKN-UHFFFAOYSA-N -1 3 397.458 2.860 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)ccc1-c1nnn[n-]1 ZINC000826384154 609384069 /nfs/dbraw/zinc/38/40/69/609384069.db2.gz IXHXTFJUGXDUQG-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(OCc3ccncc3)cc2)ccc1-c1nn[n-]n1 ZINC000826384154 609384071 /nfs/dbraw/zinc/38/40/71/609384071.db2.gz IXHXTFJUGXDUQG-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM CC(C)(C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824058742 609402383 /nfs/dbraw/zinc/40/23/83/609402383.db2.gz BFDKYAIQDOQEOM-UHFFFAOYSA-N -1 3 378.396 2.725 20 30 GFEDHM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(-c2ccncc2)n1 ZINC000826360585 609472612 /nfs/dbraw/zinc/47/26/12/609472612.db2.gz QEBBZQIMCQDFOB-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(-c2ccncc2)n1 ZINC000826360585 609472614 /nfs/dbraw/zinc/47/26/14/609472614.db2.gz QEBBZQIMCQDFOB-UHFFFAOYSA-N -1 3 379.815 2.762 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824737043 609615928 /nfs/dbraw/zinc/61/59/28/609615928.db2.gz BJULEMNDJNLOII-NSHDSACASA-N -1 3 383.795 2.902 20 30 GFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824737043 609615930 /nfs/dbraw/zinc/61/59/30/609615930.db2.gz BJULEMNDJNLOII-NSHDSACASA-N -1 3 383.795 2.902 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000824033717 609624786 /nfs/dbraw/zinc/62/47/86/609624786.db2.gz AADXIDJAOWERDN-STQMWFEESA-N -1 3 378.392 2.564 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000824033717 609624787 /nfs/dbraw/zinc/62/47/87/609624787.db2.gz AADXIDJAOWERDN-STQMWFEESA-N -1 3 378.392 2.564 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261750 609627319 /nfs/dbraw/zinc/62/73/19/609627319.db2.gz QGNKXWMJYVHAHB-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(C#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261750 609627320 /nfs/dbraw/zinc/62/73/20/609627320.db2.gz QGNKXWMJYVHAHB-UHFFFAOYSA-N -1 3 385.387 2.590 20 30 GFEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-c2ccc(Br)s2)s1 ZINC000820175034 660283832 /nfs/dbraw/zinc/28/38/32/660283832.db2.gz QZXBLQLWACMXRQ-ZETCQYMHSA-N -1 3 387.280 2.959 20 30 GFEDHM Cc1cc(Br)ccc1NC(=O)C/N=C/c1c([O-])c(C)ncc1CO ZINC000005111034 654446190 /nfs/dbraw/zinc/44/61/90/654446190.db2.gz CUSKXVQTWMVWQE-FBCYGCLPSA-N -1 3 392.253 2.716 20 30 GFEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000066305578 654900147 /nfs/dbraw/zinc/90/01/47/654900147.db2.gz NZXREOUJOPOODB-UHFFFAOYSA-N -1 3 382.379 2.703 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(Cl)cn2)ccc1F ZINC000134746080 655002849 /nfs/dbraw/zinc/00/28/49/655002849.db2.gz LGGGUNCMHGBJGP-UHFFFAOYSA-N -1 3 383.832 2.615 20 30 GFEDHM N#CC1(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)CCC1 ZINC000271796743 655094952 /nfs/dbraw/zinc/09/49/52/655094952.db2.gz MPYFZJSYGZENDO-UHFFFAOYSA-N -1 3 393.184 2.721 20 30 GFEDHM N#C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(Br)c1 ZINC000118325059 655274858 /nfs/dbraw/zinc/27/48/58/655274858.db2.gz DEQKMURMRCVDKA-AWEZNQCLSA-N -1 3 383.205 2.680 20 30 GFEDHM N#CCN(C(=O)COC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000730365741 655575020 /nfs/dbraw/zinc/57/50/20/655575020.db2.gz PTGVLTKQUDGUPX-UHFFFAOYSA-N -1 3 389.205 2.868 20 30 GFEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccsc1 ZINC000735815589 655653687 /nfs/dbraw/zinc/65/36/87/655653687.db2.gz VYMVEDVSYPLWGF-AWEZNQCLSA-N -1 3 377.491 2.984 20 30 GFEDHM COc1cc(C=NNC(=S)NCC(F)(F)F)cc(Br)c1[O-] ZINC000746496752 655762838 /nfs/dbraw/zinc/76/28/38/655762838.db2.gz OAKMNJMTFJBULM-UHFFFAOYSA-N -1 3 386.193 2.524 20 30 GFEDHM N#CCCCCS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751291780 655824759 /nfs/dbraw/zinc/82/47/59/655824759.db2.gz JZDXZKXJJMEDJO-ZDUSSCGKSA-N -1 3 384.807 2.703 20 30 GFEDHM O=S(=O)(CCCF)[N-]C[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000751294556 655824845 /nfs/dbraw/zinc/82/48/45/655824845.db2.gz YZELJIGULLOISV-LLVKDONJSA-N -1 3 397.312 2.734 20 30 GFEDHM N#Cc1ccc(Br)c(COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000755555352 655885609 /nfs/dbraw/zinc/88/56/09/655885609.db2.gz QONALMHXTMDSAA-UHFFFAOYSA-N -1 3 385.173 2.561 20 30 GFEDHM Cn1nc(Br)c2c1ncnc2N=NCc1c([O-])cccc1Cl ZINC000755682317 655887163 /nfs/dbraw/zinc/88/71/63/655887163.db2.gz FFZJJBUMKKWPLA-UHFFFAOYSA-N -1 3 381.621 2.931 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1Br ZINC000769852893 656295226 /nfs/dbraw/zinc/29/52/26/656295226.db2.gz WOHGWKYHLOYAMV-GFCCVEGCSA-N -1 3 375.178 2.878 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC2(CC#N)CC2)c(Cl)cc1Cl ZINC000797458559 659025507 /nfs/dbraw/zinc/02/55/07/659025507.db2.gz OYDVQQKSBDGRHD-UHFFFAOYSA-N -1 3 377.249 2.752 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(C)(C)C ZINC000805146346 659750703 /nfs/dbraw/zinc/75/07/03/659750703.db2.gz CGGAUBREPPFGMC-GFCCVEGCSA-N -1 3 378.263 2.923 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(C(F)F)CCCC2)ccc1F ZINC000809368472 659924240 /nfs/dbraw/zinc/92/42/40/659924240.db2.gz KDZCXAFDBQHQQH-UHFFFAOYSA-N -1 3 376.400 2.598 20 30 GFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2F)c1 ZINC000811185993 660003561 /nfs/dbraw/zinc/00/35/61/660003561.db2.gz ZAVHOKAWTRMKKF-CQSZACIVSA-N -1 3 393.168 2.549 20 30 GFEDHM CCc1ncc(S(=O)(=O)[N-]C2CCN(c3ccccc3C#N)CC2)s1 ZINC000867611024 662562602 /nfs/dbraw/zinc/56/26/02/662562602.db2.gz ABBUKUHMJYQZLO-UHFFFAOYSA-N -1 3 376.507 2.524 20 30 GFEDHM CC(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1I ZINC000870136405 662675822 /nfs/dbraw/zinc/67/58/22/662675822.db2.gz MYIGZAODMHJGKE-JTQLQIEISA-N -1 3 380.189 2.954 20 30 GFEDHM Cc1nn(-c2ccc(Br)cc2)c(C)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895164159 663501637 /nfs/dbraw/zinc/50/16/37/663501637.db2.gz DGCDAFMATZJQEJ-MRXNPFEDSA-N -1 3 393.285 2.721 20 30 GFEDHM C=CCC1(O)CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000899590899 663694800 /nfs/dbraw/zinc/69/48/00/663694800.db2.gz IVZAOWIGTVEYDH-UHFFFAOYSA-N -1 3 391.265 2.834 20 30 GFEDHM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375175 663734801 /nfs/dbraw/zinc/73/48/01/663734801.db2.gz FHWBTJMQARCPGT-UHFFFAOYSA-N -1 3 386.832 2.566 20 30 GFEDHM CNS(=O)(=O)c1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC000901380065 663734899 /nfs/dbraw/zinc/73/48/99/663734899.db2.gz WHXHFEQJCVOKFD-UHFFFAOYSA-N -1 3 389.260 2.933 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(Br)c2)s1 ZINC000435444895 563651799 /nfs/dbraw/zinc/65/17/99/563651799.db2.gz TXUMWHUPXTZZKL-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(Br)c1 ZINC000045173272 551145966 /nfs/dbraw/zinc/14/59/66/551145966.db2.gz IZPILBHAVYTJFN-UHFFFAOYSA-N -1 3 388.265 2.875 20 30 GFEDHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cs1 ZINC000124380171 551314042 /nfs/dbraw/zinc/31/40/42/551314042.db2.gz DLSWJOGUEKEQIP-UHFFFAOYSA-N -1 3 390.412 2.578 20 30 GFEDHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000126129871 551326272 /nfs/dbraw/zinc/32/62/72/551326272.db2.gz VWBXNOTYUWPVQW-CYBMUJFWSA-N -1 3 379.873 2.740 20 30 GFEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1Cl ZINC000127012215 551335650 /nfs/dbraw/zinc/33/56/50/551335650.db2.gz NOJJCOWXFALXSD-UHFFFAOYSA-N -1 3 381.797 2.607 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c(F)c1 ZINC000151142302 551407929 /nfs/dbraw/zinc/40/79/29/551407929.db2.gz GXOJHEMLYWMFPO-UHFFFAOYSA-N -1 3 379.482 2.944 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1OC ZINC000183370698 552307368 /nfs/dbraw/zinc/30/73/68/552307368.db2.gz OOGUNPRGMGXRAP-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000184491496 552336815 /nfs/dbraw/zinc/33/68/15/552336815.db2.gz PKRPSOVRKUURLB-UHFFFAOYSA-N -1 3 377.279 2.517 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188551782 552447513 /nfs/dbraw/zinc/44/75/13/552447513.db2.gz ZPYSJNCMVMVZPK-YGRLFVJLSA-N -1 3 396.818 2.974 20 30 GFEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000373552749 563342231 /nfs/dbraw/zinc/34/22/31/563342231.db2.gz VQSHVTUHCWJDFH-NSHDSACASA-N -1 3 379.873 2.690 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425126729 563405434 /nfs/dbraw/zinc/40/54/34/563405434.db2.gz ICIJZRCFXHVBLL-CHWSQXEVSA-N -1 3 377.491 2.506 20 30 GFEDHM N#CCCCCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000375475814 563406357 /nfs/dbraw/zinc/40/63/57/563406357.db2.gz XPDFCBFABZRUAO-CYBMUJFWSA-N -1 3 390.292 2.712 20 30 GFEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC[C@@H]2CCCS2)CCCC1 ZINC000329788180 563488362 /nfs/dbraw/zinc/48/83/62/563488362.db2.gz ZJPUGFRRWPHKHY-ZDUSSCGKSA-N -1 3 387.527 2.735 20 30 GFEDHM C[C@H](Cc1ccc(F)c(Br)c1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428396674 563489674 /nfs/dbraw/zinc/48/96/74/563489674.db2.gz FYOLHXPSVIMSDC-SNVBAGLBSA-N -1 3 398.257 2.764 20 30 GFEDHM O=C(NC[C@H]1CCCCN1CCO)c1cc(Br)cc(Cl)c1[O-] ZINC000331353246 563547208 /nfs/dbraw/zinc/54/72/08/563547208.db2.gz ZWWKASHVGYOJMT-LLVKDONJSA-N -1 3 391.693 2.960 20 30 GFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000433441082 563613244 /nfs/dbraw/zinc/61/32/44/563613244.db2.gz DYBBBDKDRCCSFS-UHFFFAOYSA-N -1 3 387.751 2.877 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2c(F)cccc2Cl)s1 ZINC000435427112 563649720 /nfs/dbraw/zinc/64/97/20/563649720.db2.gz LHCRSMFARWSYSC-JTQLQIEISA-N -1 3 388.873 2.542 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)ccc1Cl ZINC000436479766 563671662 /nfs/dbraw/zinc/67/16/62/563671662.db2.gz VKDCVJGIBPCOEX-UHFFFAOYSA-N -1 3 377.788 2.937 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCNC(=O)CC1CCCCC1 ZINC000443054522 563789386 /nfs/dbraw/zinc/78/93/86/563789386.db2.gz XGROAKRZZQWAIQ-UHFFFAOYSA-N -1 3 383.901 2.577 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N1CCCC1 ZINC000443090829 563790876 /nfs/dbraw/zinc/79/08/76/563790876.db2.gz CJDIWAOGLYZQFV-HNNXBMFYSA-N -1 3 379.869 2.920 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000366328238 563805236 /nfs/dbraw/zinc/80/52/36/563805236.db2.gz XZYQIPXIBDRHMW-UHFFFAOYSA-N -1 3 388.783 2.890 20 30 GFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000444216466 563825029 /nfs/dbraw/zinc/82/50/29/563825029.db2.gz CLAYOLONSRSTSV-DZGCQCFKSA-N -1 3 382.448 2.863 20 30 GFEDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)cc1 ZINC000451343337 564303112 /nfs/dbraw/zinc/30/31/12/564303112.db2.gz PHVWNWYXVAVGGY-QGZVFWFLSA-N -1 3 378.881 2.980 20 30 GFEDHM CCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000510968565 564351899 /nfs/dbraw/zinc/35/18/99/564351899.db2.gz PNVPXOXGCHTXSG-ZDUSSCGKSA-N -1 3 375.416 2.730 20 30 GFEDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000451937181 564370208 /nfs/dbraw/zinc/37/02/08/564370208.db2.gz ZBMHHMLFFRGBTN-SNVBAGLBSA-N -1 3 383.271 2.577 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)OCCc2sccc21 ZINC000567969812 564398850 /nfs/dbraw/zinc/39/88/50/564398850.db2.gz UDAWKLHLZDEXSM-KRWDZBQOSA-N -1 3 380.466 2.666 20 30 GFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1)C1CC1 ZINC000569340720 564460353 /nfs/dbraw/zinc/46/03/53/564460353.db2.gz XWYMMCKMHLGPCB-AWEZNQCLSA-N -1 3 378.372 2.666 20 30 GFEDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000569370992 564460799 /nfs/dbraw/zinc/46/07/99/564460799.db2.gz JHQVVVLCTOOTLK-NSHDSACASA-N -1 3 375.288 2.804 20 30 GFEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1cccs1 ZINC000570575735 564512813 /nfs/dbraw/zinc/51/28/13/564512813.db2.gz LVVRCLJIDYXZBA-MRXNPFEDSA-N -1 3 382.482 2.938 20 30 GFEDHM N#CC1CCC(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482114485 564534877 /nfs/dbraw/zinc/53/48/77/564534877.db2.gz PETFQYYYFMTODA-UHFFFAOYSA-N -1 3 376.258 2.970 20 30 GFEDHM CCC(CC)CN(CCC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000519157422 564571134 /nfs/dbraw/zinc/57/11/34/564571134.db2.gz NKTHHNWEOQSIHI-UHFFFAOYSA-N -1 3 391.946 2.858 20 30 GFEDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1C ZINC000574934539 564688802 /nfs/dbraw/zinc/68/88/02/564688802.db2.gz VZUSONJMCONJHT-UHFFFAOYSA-N -1 3 397.298 2.633 20 30 GFEDHM N#Cc1ccnc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1Cl ZINC000553246216 564713569 /nfs/dbraw/zinc/71/35/69/564713569.db2.gz LUMBJSUREKKDKC-UHFFFAOYSA-N -1 3 382.898 2.615 20 30 GFEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1cccnc1 ZINC000580653026 564768748 /nfs/dbraw/zinc/76/87/48/564768748.db2.gz DEWPODJOLYFJIZ-INIZCTEOSA-N -1 3 379.869 2.645 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000490680426 564780746 /nfs/dbraw/zinc/78/07/46/564780746.db2.gz GSRBQWYWGLDSED-CYBMUJFWSA-N -1 3 391.942 2.953 20 30 GFEDHM CCN(CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CCC(F)(F)F ZINC000494407455 564828587 /nfs/dbraw/zinc/82/85/87/564828587.db2.gz TUXDMKZQHCMFTM-UHFFFAOYSA-N -1 3 383.823 2.764 20 30 GFEDHM CCN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CCC(F)(F)F ZINC000494405730 564828617 /nfs/dbraw/zinc/82/86/17/564828617.db2.gz NLOWTJACOMZZGI-UHFFFAOYSA-N -1 3 383.823 2.764 20 30 GFEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1cccc(Cl)c1 ZINC000558096386 564892890 /nfs/dbraw/zinc/89/28/90/564892890.db2.gz SGZDSLVRQHKLSG-HNNXBMFYSA-N -1 3 380.853 2.886 20 30 GFEDHM CCc1nc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)cs1 ZINC000559640194 564938474 /nfs/dbraw/zinc/93/84/74/564938474.db2.gz WBZUBAKNWAIDCT-UHFFFAOYSA-N -1 3 386.296 2.818 20 30 GFEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1nnc2n1CCCCC2 ZINC000560553645 564967607 /nfs/dbraw/zinc/96/76/07/564967607.db2.gz WZLUMGVCWVJPDT-GFCCVEGCSA-N -1 3 399.252 2.905 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cc1Cl ZINC000470261989 565042422 /nfs/dbraw/zinc/04/24/22/565042422.db2.gz YNEFRKFZZOWOCS-UHFFFAOYSA-N -1 3 377.788 2.937 20 30 GFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)[C@@H]2CCCO[C@H]21 ZINC000591325748 565223514 /nfs/dbraw/zinc/22/35/14/565223514.db2.gz ZZWNUPRUQRWMMZ-NWANDNLSSA-N -1 3 399.310 2.803 20 30 GFEDHM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593591057 565345324 /nfs/dbraw/zinc/34/53/24/565345324.db2.gz QWYHZSDZEKKJOA-ZDUSSCGKSA-N -1 3 398.893 2.726 20 30 GFEDHM C[C@@](CO)([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 ZINC000619547690 565348259 /nfs/dbraw/zinc/34/82/59/565348259.db2.gz OLSCFTKKDIOJQE-AWEZNQCLSA-N -1 3 390.408 2.825 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CCCCO1 ZINC000594489236 565396992 /nfs/dbraw/zinc/39/69/92/565396992.db2.gz XPWNKZPSIZQLHK-KBPBESRZSA-N -1 3 387.299 2.947 20 30 GFEDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)C1(F)F ZINC000595350392 565467099 /nfs/dbraw/zinc/46/70/99/565467099.db2.gz BXEAUDCNROSGLV-LLVKDONJSA-N -1 3 379.226 2.890 20 30 GFEDHM CCC[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OCC ZINC000599367385 565672789 /nfs/dbraw/zinc/67/27/89/565672789.db2.gz HMGNOTAVJSSLLY-NSHDSACASA-N -1 3 375.288 2.804 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3F)C2)s1 ZINC000599489619 565684375 /nfs/dbraw/zinc/68/43/75/565684375.db2.gz DBFDSDKSDXKDQJ-LLVKDONJSA-N -1 3 385.873 2.969 20 30 GFEDHM C=CC[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000628483075 565791758 /nfs/dbraw/zinc/79/17/58/565791758.db2.gz FPFWCOXNTVITSH-LLVKDONJSA-N -1 3 377.293 2.696 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOCC(F)(F)F)c(C(F)(F)F)c1 ZINC000604028993 565921522 /nfs/dbraw/zinc/92/15/22/565921522.db2.gz CHMVZGOOUNUBCM-UHFFFAOYSA-N -1 3 390.305 2.824 20 30 GFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000737677071 598826247 /nfs/dbraw/zinc/82/62/47/598826247.db2.gz YXMXYQCTOIJBBD-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000737677071 598826248 /nfs/dbraw/zinc/82/62/48/598826248.db2.gz YXMXYQCTOIJBBD-CQSZACIVSA-N -1 3 383.209 2.624 20 30 GFEDHM C[C@H]1CN(c2cccc(F)c2C#N)CCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000736295710 598831427 /nfs/dbraw/zinc/83/14/27/598831427.db2.gz WPMLUZVLMDFMLT-LBPRGKRZSA-N -1 3 381.390 2.732 20 30 GFEDHM C[C@H]1CN(c2cccc(F)c2C#N)CCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000736295710 598831428 /nfs/dbraw/zinc/83/14/28/598831428.db2.gz WPMLUZVLMDFMLT-LBPRGKRZSA-N -1 3 381.390 2.732 20 30 GFEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(C#N)cc2)c1C ZINC000737504395 598841040 /nfs/dbraw/zinc/84/10/40/598841040.db2.gz WUAXWYFAXYKJIS-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735433143 598851338 /nfs/dbraw/zinc/85/13/38/598851338.db2.gz ZYSMKKGMASRHTQ-UHFFFAOYSA-N -1 3 396.386 2.957 20 30 GFEDHM C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735433143 598851340 /nfs/dbraw/zinc/85/13/40/598851340.db2.gz ZYSMKKGMASRHTQ-UHFFFAOYSA-N -1 3 396.386 2.957 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735426729 598870116 /nfs/dbraw/zinc/87/01/16/598870116.db2.gz VGAUEYCJMVFFOG-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735426729 598870117 /nfs/dbraw/zinc/87/01/17/598870117.db2.gz VGAUEYCJMVFFOG-UHFFFAOYSA-N -1 3 391.403 2.522 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736041202 598887672 /nfs/dbraw/zinc/88/76/72/598887672.db2.gz UMMZXVSPKAVNRZ-KGLIPLIRSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736041202 598887673 /nfs/dbraw/zinc/88/76/73/598887673.db2.gz UMMZXVSPKAVNRZ-KGLIPLIRSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)C(=O)N(C)CCC#N ZINC000736194009 598901889 /nfs/dbraw/zinc/90/18/89/598901889.db2.gz WBTMNYNRJICKBL-CYBMUJFWSA-N -1 3 393.476 2.781 20 30 GFEDHM C[C@@H](Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)C(=O)N(C)CCC#N ZINC000736194009 598901891 /nfs/dbraw/zinc/90/18/91/598901891.db2.gz WBTMNYNRJICKBL-CYBMUJFWSA-N -1 3 393.476 2.781 20 30 GFEDHM CC(C)c1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccn1 ZINC000735921386 598914801 /nfs/dbraw/zinc/91/48/01/598914801.db2.gz RGKWQYFAKFNCDW-UHFFFAOYSA-N -1 3 399.418 2.695 20 30 GFEDHM CC(C)c1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccn1 ZINC000735921386 598914803 /nfs/dbraw/zinc/91/48/03/598914803.db2.gz RGKWQYFAKFNCDW-UHFFFAOYSA-N -1 3 399.418 2.695 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737718499 598927389 /nfs/dbraw/zinc/92/73/89/598927389.db2.gz JWQKTJYSKLVSPH-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737718499 598927390 /nfs/dbraw/zinc/92/73/90/598927390.db2.gz JWQKTJYSKLVSPH-UHFFFAOYSA-N -1 3 388.309 2.932 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OCc3cccnc3)c2)ccc1-c1nnn[n-]1 ZINC000737710210 598928926 /nfs/dbraw/zinc/92/89/26/598928926.db2.gz VIXVEAXHOGLABL-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(OCc3cccnc3)c2)ccc1-c1nn[n-]n1 ZINC000737710210 598928928 /nfs/dbraw/zinc/92/89/28/598928928.db2.gz VIXVEAXHOGLABL-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735690078 598932550 /nfs/dbraw/zinc/93/25/50/598932550.db2.gz GGQYVQBNVZOEGA-KRWDZBQOSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735690078 598932551 /nfs/dbraw/zinc/93/25/51/598932551.db2.gz GGQYVQBNVZOEGA-KRWDZBQOSA-N -1 3 376.420 2.724 20 30 GFEDHM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1[O-] ZINC000819772560 607254116 /nfs/dbraw/zinc/25/41/16/607254116.db2.gz GMNFVBHNAFOWLC-UHFFFAOYSA-N -1 3 387.241 2.849 20 30 GFEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1nccs1 ZINC000822199154 607254576 /nfs/dbraw/zinc/25/45/76/607254576.db2.gz YKOVKXLJIZNPJY-UHFFFAOYSA-N -1 3 378.465 2.854 20 30 GFEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1nccs1 ZINC000822199154 607254577 /nfs/dbraw/zinc/25/45/77/607254577.db2.gz YKOVKXLJIZNPJY-UHFFFAOYSA-N -1 3 378.465 2.854 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000735461952 598976724 /nfs/dbraw/zinc/97/67/24/598976724.db2.gz URQWADBDXNVHDB-RMKNXTFCSA-N -1 3 380.433 2.735 20 30 GFEDHM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000735461952 598976725 /nfs/dbraw/zinc/97/67/25/598976725.db2.gz URQWADBDXNVHDB-RMKNXTFCSA-N -1 3 380.433 2.735 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735419625 598999915 /nfs/dbraw/zinc/99/99/15/598999915.db2.gz YFUQIOVQZOHAIP-UHFFFAOYSA-N -1 3 399.476 2.561 20 30 GFEDHM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735419625 598999917 /nfs/dbraw/zinc/99/99/17/598999917.db2.gz YFUQIOVQZOHAIP-UHFFFAOYSA-N -1 3 399.476 2.561 20 30 GFEDHM N#CCCCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737687310 599003069 /nfs/dbraw/zinc/00/30/69/599003069.db2.gz HUVGANCTVVQLSF-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM N#CCCCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737687310 599003070 /nfs/dbraw/zinc/00/30/70/599003070.db2.gz HUVGANCTVVQLSF-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM N#Cc1ccc(C(F)(F)F)nc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822825443 599049475 /nfs/dbraw/zinc/04/94/75/599049475.db2.gz GIGMTPBBHZCWAC-UHFFFAOYSA-N -1 3 375.314 2.643 20 30 GFEDHM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736330822 599151356 /nfs/dbraw/zinc/15/13/56/599151356.db2.gz ZMZFDYFCUFZOGV-WBMJQRKESA-N -1 3 389.419 2.736 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1-c1nnn[n-]1 ZINC000737082434 599156041 /nfs/dbraw/zinc/15/60/41/599156041.db2.gz VCRBJNGMXXEYDA-GORDUTHDSA-N -1 3 391.309 2.891 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1-c1nn[n-]n1 ZINC000737082434 599156044 /nfs/dbraw/zinc/15/60/44/599156044.db2.gz VCRBJNGMXXEYDA-GORDUTHDSA-N -1 3 391.309 2.891 20 30 GFEDHM Cc1c(C(=O)C=Cc2cnn3ccccc23)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202981 599157448 /nfs/dbraw/zinc/15/74/48/599157448.db2.gz QIAATSHWLRCMDV-JXMROGBWSA-N -1 3 396.414 2.905 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737731077 599195457 /nfs/dbraw/zinc/19/54/57/599195457.db2.gz XSMKBDMPCRXTJD-UHFFFAOYSA-N -1 3 387.403 2.798 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737731077 599195460 /nfs/dbraw/zinc/19/54/60/599195460.db2.gz XSMKBDMPCRXTJD-UHFFFAOYSA-N -1 3 387.403 2.798 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccccc2OCc2ccncc2)ccc1-c1nnn[n-]1 ZINC000737709168 599196406 /nfs/dbraw/zinc/19/64/06/599196406.db2.gz KJQRKXAUWSPSEY-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccccc2OCc2ccncc2)ccc1-c1nn[n-]n1 ZINC000737709168 599196407 /nfs/dbraw/zinc/19/64/07/599196407.db2.gz KJQRKXAUWSPSEY-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000820151827 599263581 /nfs/dbraw/zinc/26/35/81/599263581.db2.gz OEBRJBWBMXKHRM-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000820151827 599263583 /nfs/dbraw/zinc/26/35/83/599263583.db2.gz OEBRJBWBMXKHRM-UHFFFAOYSA-N -1 3 395.398 2.986 20 30 GFEDHM C=CCOc1cccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819759555 599263803 /nfs/dbraw/zinc/26/38/03/599263803.db2.gz ZUQZBJHNPVJXQM-UHFFFAOYSA-N -1 3 380.408 2.632 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819709886 599285881 /nfs/dbraw/zinc/28/58/81/599285881.db2.gz SPLBOXNBNSPRIM-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819709886 599285884 /nfs/dbraw/zinc/28/58/84/599285884.db2.gz SPLBOXNBNSPRIM-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM N#Cc1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(F)c1 ZINC000737718184 598327022 /nfs/dbraw/zinc/32/70/22/598327022.db2.gz KXEMXVZGQJYHOJ-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM N#Cc1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(F)c1 ZINC000737718184 598327023 /nfs/dbraw/zinc/32/70/23/598327023.db2.gz KXEMXVZGQJYHOJ-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1csc(CC)n1 ZINC000735420679 598361604 /nfs/dbraw/zinc/36/16/04/598361604.db2.gz PQYMGTOINJTEGZ-UHFFFAOYSA-N -1 3 397.508 2.826 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1csc(CC)n1 ZINC000735420679 598361605 /nfs/dbraw/zinc/36/16/05/598361605.db2.gz PQYMGTOINJTEGZ-UHFFFAOYSA-N -1 3 397.508 2.826 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c(OC)c1 ZINC000737080755 598378192 /nfs/dbraw/zinc/37/81/92/598378192.db2.gz HGRPCJQCLFTFIU-VQHVLOKHSA-N -1 3 379.420 2.836 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c(OC)c1 ZINC000737080755 598378193 /nfs/dbraw/zinc/37/81/93/598378193.db2.gz HGRPCJQCLFTFIU-VQHVLOKHSA-N -1 3 379.420 2.836 20 30 GFEDHM C#CCOc1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000735380047 598493478 /nfs/dbraw/zinc/49/34/78/598493478.db2.gz BGPGZPXAPFADTC-IBGZPJMESA-N -1 3 391.431 2.921 20 30 GFEDHM C#CCOc1ccc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000735380047 598493481 /nfs/dbraw/zinc/49/34/81/598493481.db2.gz BGPGZPXAPFADTC-IBGZPJMESA-N -1 3 391.431 2.921 20 30 GFEDHM C#CCOc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000735380051 598494412 /nfs/dbraw/zinc/49/44/12/598494412.db2.gz BGPGZPXAPFADTC-LJQANCHMSA-N -1 3 391.431 2.921 20 30 GFEDHM C#CCOc1ccc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000735380051 598494413 /nfs/dbraw/zinc/49/44/13/598494413.db2.gz BGPGZPXAPFADTC-LJQANCHMSA-N -1 3 391.431 2.921 20 30 GFEDHM C=C1CCN(CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2Cc2ccco2)CC1 ZINC000735403139 598504560 /nfs/dbraw/zinc/50/45/60/598504560.db2.gz QCAGKIMOFHKUCY-UHFFFAOYSA-N -1 3 395.467 2.517 20 30 GFEDHM C=C1CCN(CC(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2Cc2ccco2)CC1 ZINC000735403139 598504562 /nfs/dbraw/zinc/50/45/62/598504562.db2.gz QCAGKIMOFHKUCY-UHFFFAOYSA-N -1 3 395.467 2.517 20 30 GFEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCOCC1 ZINC000737677002 598582003 /nfs/dbraw/zinc/58/20/03/598582003.db2.gz YOHPWTUWQGDIDL-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCOCC1 ZINC000737677002 598582005 /nfs/dbraw/zinc/58/20/05/598582005.db2.gz YOHPWTUWQGDIDL-UHFFFAOYSA-N -1 3 390.403 2.918 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000735420706 598585717 /nfs/dbraw/zinc/58/57/17/598585717.db2.gz QOUWOEYTVOLWTH-UHFFFAOYSA-N -1 3 390.447 2.675 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000735420706 598585720 /nfs/dbraw/zinc/58/57/20/598585720.db2.gz QOUWOEYTVOLWTH-UHFFFAOYSA-N -1 3 390.447 2.675 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000735416067 598752823 /nfs/dbraw/zinc/75/28/23/598752823.db2.gz CFRKCLIONVJEST-UHFFFAOYSA-N -1 3 385.468 2.849 20 30 GFEDHM C=CCN(CC1CCCCC1)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000735416067 598752824 /nfs/dbraw/zinc/75/28/24/598752824.db2.gz CFRKCLIONVJEST-UHFFFAOYSA-N -1 3 385.468 2.849 20 30 GFEDHM N#Cc1ccc(-n2nccc2NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737708950 598807710 /nfs/dbraw/zinc/80/77/10/598807710.db2.gz IEWOMHDMCNQJOB-JXMROGBWSA-N -1 3 382.387 2.576 20 30 GFEDHM N#Cc1ccc(-n2nccc2NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737708950 598807712 /nfs/dbraw/zinc/80/77/12/598807712.db2.gz IEWOMHDMCNQJOB-JXMROGBWSA-N -1 3 382.387 2.576 20 30 GFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000799777987 599370603 /nfs/dbraw/zinc/37/06/03/599370603.db2.gz FGNPBEAPSWQHOK-UHFFFAOYSA-N -1 3 392.824 2.853 20 30 GFEDHM C=CCOc1ccc(OS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000799777987 599370607 /nfs/dbraw/zinc/37/06/07/599370607.db2.gz FGNPBEAPSWQHOK-UHFFFAOYSA-N -1 3 392.824 2.853 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819743928 599455807 /nfs/dbraw/zinc/45/58/07/599455807.db2.gz TTWYJOJHQNDSCW-UHFFFAOYSA-N -1 3 392.463 2.686 20 30 GFEDHM N#Cc1ccc(CN2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000822825360 599466721 /nfs/dbraw/zinc/46/67/21/599466721.db2.gz BYNQQGFXSOJZJM-UHFFFAOYSA-N -1 3 379.855 2.714 20 30 GFEDHM N#Cc1ccc(CN2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000822825360 599466723 /nfs/dbraw/zinc/46/67/23/599466723.db2.gz BYNQQGFXSOJZJM-UHFFFAOYSA-N -1 3 379.855 2.714 20 30 GFEDHM C=CCc1ccc(OCC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000819759485 599510844 /nfs/dbraw/zinc/51/08/44/599510844.db2.gz XJMXFYWMLGDZFB-CQSZACIVSA-N -1 3 393.447 2.860 20 30 GFEDHM C=CCc1ccc(OCC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000819759485 599510847 /nfs/dbraw/zinc/51/08/47/599510847.db2.gz XJMXFYWMLGDZFB-CQSZACIVSA-N -1 3 393.447 2.860 20 30 GFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000819976084 599554194 /nfs/dbraw/zinc/55/41/94/599554194.db2.gz LDXFKQBDFBNJQI-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1cc(C#N)ccc1F ZINC000819976084 599554196 /nfs/dbraw/zinc/55/41/96/599554196.db2.gz LDXFKQBDFBNJQI-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM C=CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745828 599566224 /nfs/dbraw/zinc/56/62/24/599566224.db2.gz SGUCYQBOGZDKER-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM C=CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745828 599566226 /nfs/dbraw/zinc/56/62/26/599566226.db2.gz SGUCYQBOGZDKER-UHFFFAOYSA-N -1 3 398.430 2.977 20 30 GFEDHM N#Cc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822833898 599632161 /nfs/dbraw/zinc/63/21/61/599632161.db2.gz ZSKPQLRSPIEFOR-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822833898 599632162 /nfs/dbraw/zinc/63/21/62/599632162.db2.gz ZSKPQLRSPIEFOR-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#CC(C(=O)CCSCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000739076312 599799223 /nfs/dbraw/zinc/79/92/23/599799223.db2.gz ZLWQRAYAMXBZBK-LLVKDONJSA-N -1 3 375.233 2.849 20 30 GFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000739106480 600568560 /nfs/dbraw/zinc/56/85/60/600568560.db2.gz SEACUFMECZRNFR-ZWKOTPCHSA-N -1 3 382.395 2.719 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000821703087 607455973 /nfs/dbraw/zinc/45/59/73/607455973.db2.gz NXFHPYUZMXOBIH-SREVYHEPSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000821703087 607455974 /nfs/dbraw/zinc/45/59/74/607455974.db2.gz NXFHPYUZMXOBIH-SREVYHEPSA-N -1 3 384.367 2.928 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000832389322 601236671 /nfs/dbraw/zinc/23/66/71/601236671.db2.gz RGPOBOUXRZZGHE-GMXVVIOVSA-N -1 3 378.812 2.887 20 30 GFEDHM C#CCOc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000825625718 601731793 /nfs/dbraw/zinc/73/17/93/601731793.db2.gz MDMOYKIKJVAZAV-HSZRJFAPSA-N -1 3 392.455 2.548 20 30 GFEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1-c1nnn[n-]1 ZINC000826301207 607601192 /nfs/dbraw/zinc/60/11/92/607601192.db2.gz WTNYYRXNMFFFRS-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM Cc1cccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1-c1nn[n-]n1 ZINC000826301207 607601193 /nfs/dbraw/zinc/60/11/93/607601193.db2.gz WTNYYRXNMFFFRS-UHFFFAOYSA-N -1 3 396.476 2.646 20 30 GFEDHM C=CCn1c(SCC(=O)c2cccc(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000823937462 607655996 /nfs/dbraw/zinc/65/59/96/607655996.db2.gz YTWBIWOVUROTLV-UHFFFAOYSA-N -1 3 393.432 2.879 20 30 GFEDHM C=CCn1c(SCC(=O)c2cccc(-c3nn[n-]n3)c2)nnc1-c1ccco1 ZINC000823937462 607655997 /nfs/dbraw/zinc/65/59/97/607655997.db2.gz YTWBIWOVUROTLV-UHFFFAOYSA-N -1 3 393.432 2.879 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000825252234 604171637 /nfs/dbraw/zinc/17/16/37/604171637.db2.gz CTPOMXRHIQDBTC-MELADBBJSA-N -1 3 386.477 2.841 20 30 GFEDHM CCOC(=O)Nc1ccc(N=Cc2cc(OC)ccc2O)cc1-c1nnn[n-]1 ZINC000825524023 607679709 /nfs/dbraw/zinc/67/97/09/607679709.db2.gz YTLDRTVPIVLOCG-UHFFFAOYSA-N -1 3 382.380 2.900 20 30 GFEDHM CCOC(=O)Nc1ccc(N=Cc2cc(OC)ccc2O)cc1-c1nn[n-]n1 ZINC000825524023 607679714 /nfs/dbraw/zinc/67/97/14/607679714.db2.gz YTLDRTVPIVLOCG-UHFFFAOYSA-N -1 3 382.380 2.900 20 30 GFEDHM O=C(C=NOCc1cn2ccccc2c1-c1nnn[n-]1)Nc1ccc(F)cc1F ZINC000822934650 606177967 /nfs/dbraw/zinc/17/79/67/606177967.db2.gz AULDDNLTGAKNTH-UHFFFAOYSA-N -1 3 397.345 2.539 20 30 GFEDHM O=C(C=NOCc1cn2ccccc2c1-c1nn[n-]n1)Nc1ccc(F)cc1F ZINC000822934650 606177968 /nfs/dbraw/zinc/17/79/68/606177968.db2.gz AULDDNLTGAKNTH-UHFFFAOYSA-N -1 3 397.345 2.539 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000822632139 606287576 /nfs/dbraw/zinc/28/75/76/606287576.db2.gz RUHFMDATOQZMTJ-GFCCVEGCSA-N -1 3 376.207 2.507 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000822632139 606287578 /nfs/dbraw/zinc/28/75/78/606287578.db2.gz RUHFMDATOQZMTJ-GFCCVEGCSA-N -1 3 376.207 2.507 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000822802275 606320737 /nfs/dbraw/zinc/32/07/37/606320737.db2.gz YPAKEYZOAJGPNJ-IBGZPJMESA-N -1 3 399.414 2.768 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000822802275 606320738 /nfs/dbraw/zinc/32/07/38/606320738.db2.gz YPAKEYZOAJGPNJ-IBGZPJMESA-N -1 3 399.414 2.768 20 30 GFEDHM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000822842806 606322767 /nfs/dbraw/zinc/32/27/67/606322767.db2.gz ZSOVPOWEIDFYCY-UHFFFAOYSA-N -1 3 399.439 2.959 20 30 GFEDHM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000822842806 606322769 /nfs/dbraw/zinc/32/27/69/606322769.db2.gz ZSOVPOWEIDFYCY-UHFFFAOYSA-N -1 3 399.439 2.959 20 30 GFEDHM O=C(N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)C(F)(F)C(F)F ZINC000823139754 606528148 /nfs/dbraw/zinc/52/81/48/606528148.db2.gz LOSHMAFLCLBPGO-UHFFFAOYSA-N -1 3 385.243 2.658 20 30 GFEDHM O=C(N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F)C(F)(F)C(F)F ZINC000823139754 606528149 /nfs/dbraw/zinc/52/81/49/606528149.db2.gz LOSHMAFLCLBPGO-UHFFFAOYSA-N -1 3 385.243 2.658 20 30 GFEDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823078102 606530395 /nfs/dbraw/zinc/53/03/95/606530395.db2.gz FZWFWZCZAAQQNE-UHFFFAOYSA-N -1 3 385.349 2.596 20 30 GFEDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000823078102 606530396 /nfs/dbraw/zinc/53/03/96/606530396.db2.gz FZWFWZCZAAQQNE-UHFFFAOYSA-N -1 3 385.349 2.596 20 30 GFEDHM C=C(C)COCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819722727 606803943 /nfs/dbraw/zinc/80/39/43/606803943.db2.gz PSZWCAIUJVPPFT-UHFFFAOYSA-N -1 3 393.447 2.768 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000821703317 606971501 /nfs/dbraw/zinc/97/15/01/606971501.db2.gz ZANGACMTDRZKKI-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM COc1cc(C#N)ccc1OCCCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000821703317 606971503 /nfs/dbraw/zinc/97/15/03/606971503.db2.gz ZANGACMTDRZKKI-UHFFFAOYSA-N -1 3 392.419 2.569 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2cc(F)ccc2C#N)n1 ZINC000821343907 607039371 /nfs/dbraw/zinc/03/93/71/607039371.db2.gz YUGBNFPJHRWTPK-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2cc(F)ccc2C#N)n1 ZINC000821343907 607039372 /nfs/dbraw/zinc/03/93/72/607039372.db2.gz YUGBNFPJHRWTPK-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM N#Cc1cn(Cc2cc(F)ccc2-c2nnn[n-]2)c2ccc(Cl)cc2c1=O ZINC000822842791 607040287 /nfs/dbraw/zinc/04/02/87/607040287.db2.gz ZCQAROVDBGIJMF-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM N#Cc1cn(Cc2cc(F)ccc2-c2nn[n-]n2)c2ccc(Cl)cc2c1=O ZINC000822842791 607040289 /nfs/dbraw/zinc/04/02/89/607040289.db2.gz ZCQAROVDBGIJMF-UHFFFAOYSA-N -1 3 380.770 2.894 20 30 GFEDHM CCCN1C(=O)C(=NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c2ccccc21 ZINC000821109494 607147322 /nfs/dbraw/zinc/14/73/22/607147322.db2.gz KTFAUXSWKPMEKZ-UHFFFAOYSA-N -1 3 398.430 2.928 20 30 GFEDHM CCCN1C(=O)C(=NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c2ccccc21 ZINC000821109494 607147323 /nfs/dbraw/zinc/14/73/23/607147323.db2.gz KTFAUXSWKPMEKZ-UHFFFAOYSA-N -1 3 398.430 2.928 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)COc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822241504 607171383 /nfs/dbraw/zinc/17/13/83/607171383.db2.gz YCZYVPPBJDTZPG-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)COc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822241504 607171384 /nfs/dbraw/zinc/17/13/84/607171384.db2.gz YCZYVPPBJDTZPG-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822309156 607171398 /nfs/dbraw/zinc/17/13/98/607171398.db2.gz NXSNDPRKQWJKEY-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1cccc(N(CCC#N)C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822309156 607171399 /nfs/dbraw/zinc/17/13/99/607171399.db2.gz NXSNDPRKQWJKEY-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000822418634 607238337 /nfs/dbraw/zinc/23/83/37/607238337.db2.gz ASYXKLOIWVAJSS-UHFFFAOYSA-N -1 3 382.387 2.756 20 30 GFEDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000822418634 607238338 /nfs/dbraw/zinc/23/83/38/607238338.db2.gz ASYXKLOIWVAJSS-UHFFFAOYSA-N -1 3 382.387 2.756 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1F ZINC000820031806 607245036 /nfs/dbraw/zinc/24/50/36/607245036.db2.gz HYNAJRPPQUVQKN-KRWDZBQOSA-N -1 3 381.367 2.886 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1F ZINC000820031806 607245037 /nfs/dbraw/zinc/24/50/37/607245037.db2.gz HYNAJRPPQUVQKN-KRWDZBQOSA-N -1 3 381.367 2.886 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OC[C@H](C#N)CCC#N ZINC000825604670 607871410 /nfs/dbraw/zinc/87/14/10/607871410.db2.gz JFTPIPAULHEVFT-JTQLQIEISA-N -1 3 391.229 2.850 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OC[C@H](C#N)CCC#N ZINC000825604670 607871411 /nfs/dbraw/zinc/87/14/11/607871411.db2.gz JFTPIPAULHEVFT-JTQLQIEISA-N -1 3 391.229 2.850 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc(OCC#N)c1 ZINC000825332569 608029719 /nfs/dbraw/zinc/02/97/19/608029719.db2.gz IOTBGDXSUUFZLY-UHFFFAOYSA-N -1 3 391.435 2.772 20 30 GFEDHM Clc1cccc(C#CCN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826353190 608068871 /nfs/dbraw/zinc/06/88/71/608068871.db2.gz FNZKWCJBZSPMNK-IBGZPJMESA-N -1 3 379.851 2.945 20 30 GFEDHM Clc1cccc(C#CCN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826353190 608068872 /nfs/dbraw/zinc/06/88/72/608068872.db2.gz FNZKWCJBZSPMNK-IBGZPJMESA-N -1 3 379.851 2.945 20 30 GFEDHM COCC#CCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826146892 608103348 /nfs/dbraw/zinc/10/33/48/608103348.db2.gz HGNRPFYICKVUPH-UHFFFAOYSA-N -1 3 380.429 2.825 20 30 GFEDHM COCC#CCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826146892 608103349 /nfs/dbraw/zinc/10/33/49/608103349.db2.gz HGNRPFYICKVUPH-UHFFFAOYSA-N -1 3 380.429 2.825 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc2nccn2c1C ZINC000823915544 608120025 /nfs/dbraw/zinc/12/00/25/608120025.db2.gz ZRPLAYAAUXYPPD-UHFFFAOYSA-N -1 3 379.449 2.713 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc2nccn2c1C ZINC000823915544 608120026 /nfs/dbraw/zinc/12/00/26/608120026.db2.gz ZRPLAYAAUXYPPD-UHFFFAOYSA-N -1 3 379.449 2.713 20 30 GFEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1snc(Cl)c1C#N ZINC000826159008 608180546 /nfs/dbraw/zinc/18/05/46/608180546.db2.gz MIZWWRXDLASCMB-UHFFFAOYSA-N -1 3 375.845 2.501 20 30 GFEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1snc(Cl)c1C#N ZINC000826159008 608180548 /nfs/dbraw/zinc/18/05/48/608180548.db2.gz MIZWWRXDLASCMB-UHFFFAOYSA-N -1 3 375.845 2.501 20 30 GFEDHM C=CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000823903958 608266891 /nfs/dbraw/zinc/26/68/91/608266891.db2.gz OZKCDTZJKUSELO-UHFFFAOYSA-N -1 3 383.500 2.989 20 30 GFEDHM C=CCN(CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1C1CCCC1)C1CC1 ZINC000823903958 608266893 /nfs/dbraw/zinc/26/68/93/608266893.db2.gz OZKCDTZJKUSELO-UHFFFAOYSA-N -1 3 383.500 2.989 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000823909956 608273568 /nfs/dbraw/zinc/27/35/68/608273568.db2.gz UJQCHTUKPXETTD-MSOLQXFVSA-N -1 3 384.484 2.768 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000823909956 608273570 /nfs/dbraw/zinc/27/35/70/608273570.db2.gz UJQCHTUKPXETTD-MSOLQXFVSA-N -1 3 384.484 2.768 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000824228558 608497313 /nfs/dbraw/zinc/49/73/13/608497313.db2.gz JPNBYZLVDJECAU-HNNXBMFYSA-N -1 3 380.408 2.707 20 30 GFEDHM CC(C)C[C@@H](C#N)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000824228558 608497314 /nfs/dbraw/zinc/49/73/14/608497314.db2.gz JPNBYZLVDJECAU-HNNXBMFYSA-N -1 3 380.408 2.707 20 30 GFEDHM Oc1ccc(Br)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826510736 608539942 /nfs/dbraw/zinc/53/99/42/608539942.db2.gz IBVMXYPMQWPJDZ-UHFFFAOYSA-N -1 3 394.620 2.829 20 30 GFEDHM Cc1c(C(=O)C=Cc2cn(C)nc2C(C)(C)C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234367 608753675 /nfs/dbraw/zinc/75/36/75/608753675.db2.gz SIYBIBUFFHHBHI-CMDGGOBGSA-N -1 3 379.468 2.850 20 30 GFEDHM Cc1c(C(=O)C=Cc2cn(C)nc2C(C)(C)C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234367 608753677 /nfs/dbraw/zinc/75/36/77/608753677.db2.gz SIYBIBUFFHHBHI-CMDGGOBGSA-N -1 3 379.468 2.850 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OCC#N ZINC000826178606 609271811 /nfs/dbraw/zinc/27/18/11/609271811.db2.gz FAXYIKXOGCJQHG-QHHAFSJGSA-N -1 3 379.351 2.813 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OCC#N ZINC000826178606 609271812 /nfs/dbraw/zinc/27/18/12/609271812.db2.gz FAXYIKXOGCJQHG-QHHAFSJGSA-N -1 3 379.351 2.813 20 30 GFEDHM Cn1cc(C=NNc2ccc(F)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360200 609303065 /nfs/dbraw/zinc/30/30/65/609303065.db2.gz ATJUCQVYFCBTQE-UHFFFAOYSA-N -1 3 380.362 2.991 20 30 GFEDHM Cn1cc(C=NNc2ccc(F)cc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360200 609303066 /nfs/dbraw/zinc/30/30/66/609303066.db2.gz ATJUCQVYFCBTQE-UHFFFAOYSA-N -1 3 380.362 2.991 20 30 GFEDHM COc1ccc2nc(NN=Cc3cnc4ccc(-c5nn[n-]n5)cn34)c(C)cc2c1 ZINC000826213797 609307389 /nfs/dbraw/zinc/30/73/89/609307389.db2.gz MVSFZSKYQZPQGL-UHFFFAOYSA-N -1 3 399.418 2.826 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc(Br)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234161 609308998 /nfs/dbraw/zinc/30/89/98/609308998.db2.gz KFOYVCYPIJKFJN-BQYQJAHWSA-N -1 3 399.252 2.976 20 30 GFEDHM Cc1c(C(=O)C=Cc2cccc(Br)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234161 609308999 /nfs/dbraw/zinc/30/89/99/609308999.db2.gz KFOYVCYPIJKFJN-BQYQJAHWSA-N -1 3 399.252 2.976 20 30 GFEDHM Cn1cc(C=C2Cc3c(cccc3O)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360033 609310276 /nfs/dbraw/zinc/31/02/76/609310276.db2.gz VTLBWSGLQBPUPQ-ZROIWOOFSA-N -1 3 384.399 2.795 20 30 GFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCCOc1ccc(C#N)cc1 ZINC000826161899 609482311 /nfs/dbraw/zinc/48/23/11/609482311.db2.gz DMODGFZAGJPLTB-UHFFFAOYSA-N -1 3 394.435 2.645 20 30 GFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCCOc1ccc(C#N)cc1 ZINC000826161899 609482312 /nfs/dbraw/zinc/48/23/12/609482312.db2.gz DMODGFZAGJPLTB-UHFFFAOYSA-N -1 3 394.435 2.645 20 30 GFEDHM COCCOc1ccc(C#N)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826162611 609484473 /nfs/dbraw/zinc/48/44/73/609484473.db2.gz KCYJTKLOMIVMFY-UHFFFAOYSA-N -1 3 394.435 2.645 20 30 GFEDHM C[C@H]1C[C@H](NN=Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCO1 ZINC000824892244 609518744 /nfs/dbraw/zinc/51/87/44/609518744.db2.gz FUPNMMAWLDXFBJ-HNAYVOBHSA-N -1 3 392.463 2.937 20 30 GFEDHM C[C@H]1C[C@H](NN=Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCO1 ZINC000824892244 609518745 /nfs/dbraw/zinc/51/87/45/609518745.db2.gz FUPNMMAWLDXFBJ-HNAYVOBHSA-N -1 3 392.463 2.937 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825106776 609545146 /nfs/dbraw/zinc/54/51/46/609545146.db2.gz ICEQTGCNNCFHPT-UHFFFAOYSA-N -1 3 396.904 2.861 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825106776 609545148 /nfs/dbraw/zinc/54/51/48/609545148.db2.gz ICEQTGCNNCFHPT-UHFFFAOYSA-N -1 3 396.904 2.861 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824753508 609618313 /nfs/dbraw/zinc/61/83/13/609618313.db2.gz DQLHCLVUFOZXGT-LLVKDONJSA-N -1 3 383.795 2.902 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824753508 609618314 /nfs/dbraw/zinc/61/83/14/609618314.db2.gz DQLHCLVUFOZXGT-LLVKDONJSA-N -1 3 383.795 2.902 20 30 GFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)nn1-c1ccc(Cl)cc1Cl ZINC000820475895 660294901 /nfs/dbraw/zinc/29/49/01/660294901.db2.gz CBEWFYQNCKOBCG-GFCCVEGCSA-N -1 3 383.235 2.598 20 30 GFEDHM C[C@@]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)(C(N)=O)c1cccc(Cl)c1 ZINC000125640069 654800329 /nfs/dbraw/zinc/80/03/29/654800329.db2.gz AERVLJGLVJKXQT-INIZCTEOSA-N -1 3 398.271 2.544 20 30 GFEDHM Cc1oc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1S(N)(=O)=O ZINC000268148581 654960651 /nfs/dbraw/zinc/96/06/51/654960651.db2.gz RCIKDEMICFYZEV-SNVBAGLBSA-N -1 3 379.463 2.740 20 30 GFEDHM CC(C)[C@H](C#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000271419760 655080884 /nfs/dbraw/zinc/08/08/84/655080884.db2.gz LJIOSEOVPSKRKV-ZDUSSCGKSA-N -1 3 395.200 2.823 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Br)cn1 ZINC000105162670 655089313 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/nfs/dbraw/zinc/79/55/27/564795527.db2.gz AZVDNGDJBXZDOL-ZETCQYMHSA-N -1 3 399.284 2.970 20 30 GFEDHM Cc1cc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1Cl ZINC000462119357 564821469 /nfs/dbraw/zinc/82/14/69/564821469.db2.gz GQHZNHRNSNTKHK-UHFFFAOYSA-N -1 3 379.825 2.949 20 30 GFEDHM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000582575621 564852791 /nfs/dbraw/zinc/85/27/91/564852791.db2.gz ZIWPHICEACIKDY-SNVBAGLBSA-N -1 3 384.845 2.559 20 30 GFEDHM C=C(C)CN(CC)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000497400221 564866183 /nfs/dbraw/zinc/86/61/83/564866183.db2.gz HAHMDTNRZKGKFM-HNNXBMFYSA-N -1 3 388.530 2.650 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000561466171 564995548 /nfs/dbraw/zinc/99/55/48/564995548.db2.gz OJAXYMXIXUQCSZ-GDBMZVCRSA-N -1 3 383.445 2.622 20 30 GFEDHM C=CC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000561568082 565002971 /nfs/dbraw/zinc/00/29/71/565002971.db2.gz PAXDHVICRMEQJP-SNVBAGLBSA-N -1 3 380.297 2.536 20 30 GFEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000503264364 565016411 /nfs/dbraw/zinc/01/64/11/565016411.db2.gz FJNSRZUYWGXILS-CYBMUJFWSA-N -1 3 399.259 2.755 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ncnc3sccc32)c1 ZINC000613910686 565085190 /nfs/dbraw/zinc/08/51/90/565085190.db2.gz WKGGLPFRYQLNHX-UHFFFAOYSA-N -1 3 393.881 2.607 20 30 GFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000614493819 565116787 /nfs/dbraw/zinc/11/67/87/565116787.db2.gz LXMYHFKDUOASSS-HIFRSBDPSA-N -1 3 386.901 2.972 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000588122255 565127300 /nfs/dbraw/zinc/12/73/00/565127300.db2.gz XNAPILDDKKDDMQ-UHFFFAOYSA-N -1 3 386.658 2.848 20 30 GFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)N1CCc2ccccc2C1 ZINC000593531562 565337583 /nfs/dbraw/zinc/33/75/83/565337583.db2.gz PLNROUBIHWUEJR-MRXNPFEDSA-N -1 3 375.519 2.735 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000593571542 565342828 /nfs/dbraw/zinc/34/28/28/565342828.db2.gz UTQWTGWUUZKORU-XJKSGUPXSA-N -1 3 381.910 2.997 20 30 GFEDHM N#CCc1cccc(S(=O)(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000619491646 565345029 /nfs/dbraw/zinc/34/50/29/565345029.db2.gz DZWHYSSMDIJEBL-UHFFFAOYSA-N -1 3 381.251 2.699 20 30 GFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000619752797 565358448 /nfs/dbraw/zinc/35/84/48/565358448.db2.gz YFMJICNCDHHDFB-UHFFFAOYSA-N -1 3 382.800 2.616 20 30 GFEDHM Cc1nn2cc(S(=O)(=O)[N-]Cc3ccc(C#N)c(Cl)c3)cnc2c1Cl ZINC000619752972 565358709 /nfs/dbraw/zinc/35/87/09/565358709.db2.gz GPRSOJGXRCGNQA-UHFFFAOYSA-N -1 3 396.259 2.695 20 30 GFEDHM N#CC1(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000597429021 565561551 /nfs/dbraw/zinc/56/15/51/565561551.db2.gz URXNVFLXJMBODE-UHFFFAOYSA-N -1 3 389.930 2.660 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737504170 598840786 /nfs/dbraw/zinc/84/07/86/598840786.db2.gz QVRMUKRDXNDKEK-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737504170 598840787 /nfs/dbraw/zinc/84/07/87/598840787.db2.gz QVRMUKRDXNDKEK-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM C#CCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735374367 598851679 /nfs/dbraw/zinc/85/16/79/598851679.db2.gz AURTVJQONKGUCS-UHFFFAOYSA-N -1 3 380.383 2.730 20 30 GFEDHM C#CCCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735374367 598851682 /nfs/dbraw/zinc/85/16/82/598851682.db2.gz AURTVJQONKGUCS-UHFFFAOYSA-N -1 3 380.383 2.730 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736309902 598876861 /nfs/dbraw/zinc/87/68/61/598876861.db2.gz UIEUZZCVQCREIV-KRWDZBQOSA-N -1 3 391.435 2.547 20 30 GFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736309902 598876863 /nfs/dbraw/zinc/87/68/63/598876863.db2.gz UIEUZZCVQCREIV-KRWDZBQOSA-N -1 3 391.435 2.547 20 30 GFEDHM C#CCSCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735388324 598903483 /nfs/dbraw/zinc/90/34/83/598903483.db2.gz YNVAEIKCKCMOKW-UHFFFAOYSA-N -1 3 395.448 2.542 20 30 GFEDHM C#CCSCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735388324 598903484 /nfs/dbraw/zinc/90/34/84/598903484.db2.gz YNVAEIKCKCMOKW-UHFFFAOYSA-N -1 3 395.448 2.542 20 30 GFEDHM COc1ccc(SCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737114633 598916724 /nfs/dbraw/zinc/91/67/24/598916724.db2.gz IEXKZWUQHKARIG-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM COc1ccc(SCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737114633 598916726 /nfs/dbraw/zinc/91/67/26/598916726.db2.gz IEXKZWUQHKARIG-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccc(C)cc1 ZINC000737307316 598928696 /nfs/dbraw/zinc/92/86/96/598928696.db2.gz WYVRLPXTFQJOKW-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccc(C)cc1 ZINC000737307316 598928697 /nfs/dbraw/zinc/92/86/97/598928697.db2.gz WYVRLPXTFQJOKW-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1N1CCOCC1 ZINC000735450916 599032234 /nfs/dbraw/zinc/03/22/34/599032234.db2.gz JVJUASKOQKTAFS-UHFFFAOYSA-N -1 3 381.415 2.679 20 30 GFEDHM C#CCOc1ccc(C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381215 599070111 /nfs/dbraw/zinc/07/01/11/599070111.db2.gz RAWJOQQCNQBBNX-UHFFFAOYSA-N -1 3 375.432 2.931 20 30 GFEDHM C#CCOc1ccc(C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381215 599070115 /nfs/dbraw/zinc/07/01/15/599070115.db2.gz RAWJOQQCNQBBNX-UHFFFAOYSA-N -1 3 375.432 2.931 20 30 GFEDHM COc1ccc(C=NNCc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000737081482 599128351 /nfs/dbraw/zinc/12/83/51/599128351.db2.gz NWJOEHKBQFTNNA-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM COc1ccc(C=NNCc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000737081482 599128354 /nfs/dbraw/zinc/12/83/54/599128354.db2.gz NWJOEHKBQFTNNA-UHFFFAOYSA-N -1 3 387.241 2.762 20 30 GFEDHM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CCOCC2)ccc1-c1nnn[n-]1 ZINC000737705237 599197687 /nfs/dbraw/zinc/19/76/87/599197687.db2.gz OYIGAOMJPFGNCS-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CCOCC2)ccc1-c1nn[n-]n1 ZINC000737705237 599197688 /nfs/dbraw/zinc/19/76/88/599197688.db2.gz OYIGAOMJPFGNCS-UHFFFAOYSA-N -1 3 392.394 2.564 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000735420944 599279951 /nfs/dbraw/zinc/27/99/51/599279951.db2.gz VURDQTKVLFAPAV-MUUNZHRXSA-N -1 3 396.476 2.824 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000735420944 599279952 /nfs/dbraw/zinc/27/99/52/599279952.db2.gz VURDQTKVLFAPAV-MUUNZHRXSA-N -1 3 396.476 2.824 20 30 GFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735661106 598315510 /nfs/dbraw/zinc/31/55/10/598315510.db2.gz IUSWCYNDTPHBLV-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735661106 598315511 /nfs/dbraw/zinc/31/55/11/598315511.db2.gz IUSWCYNDTPHBLV-UHFFFAOYSA-N -1 3 382.403 2.756 20 30 GFEDHM C#CCn1c(-c2ccc(-c3nnn[n-]3)cc2)csc1=Nc1ccc(OC)nc1 ZINC000735388011 598376333 /nfs/dbraw/zinc/37/63/33/598376333.db2.gz OQOOIZHDOZKBGL-UHFFFAOYSA-N -1 3 389.444 2.666 20 30 GFEDHM C#CCn1c(-c2ccc(-c3nn[n-]n3)cc2)csc1=Nc1ccc(OC)nc1 ZINC000735388011 598376335 /nfs/dbraw/zinc/37/63/35/598376335.db2.gz OQOOIZHDOZKBGL-UHFFFAOYSA-N -1 3 389.444 2.666 20 30 GFEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737348449 598384366 /nfs/dbraw/zinc/38/43/66/598384366.db2.gz ZZHBDAYLSATNMN-HNNXBMFYSA-N -1 3 376.420 2.889 20 30 GFEDHM C#CCOc1cccc(OC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735387936 598421659 /nfs/dbraw/zinc/42/16/59/598421659.db2.gz LLNGLLMYSRMFDB-LJQANCHMSA-N -1 3 392.415 2.888 20 30 GFEDHM C#CCOc1cccc(OC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735387936 598421661 /nfs/dbraw/zinc/42/16/61/598421661.db2.gz LLNGLLMYSRMFDB-LJQANCHMSA-N -1 3 392.415 2.888 20 30 GFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000737198946 598491511 /nfs/dbraw/zinc/49/15/11/598491511.db2.gz KVNYZAMENWQRIU-ZDUSSCGKSA-N -1 3 392.419 2.693 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736513599 598684810 /nfs/dbraw/zinc/68/48/10/598684810.db2.gz REIPEYRGZZXXJL-ZDUSSCGKSA-N -1 3 377.408 2.676 20 30 GFEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736513599 598684811 /nfs/dbraw/zinc/68/48/11/598684811.db2.gz REIPEYRGZZXXJL-ZDUSSCGKSA-N -1 3 377.408 2.676 20 30 GFEDHM N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737721181 598769858 /nfs/dbraw/zinc/76/98/58/598769858.db2.gz HVCCFHCYJHQPLG-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737721181 598769860 /nfs/dbraw/zinc/76/98/60/598769860.db2.gz HVCCFHCYJHQPLG-UHFFFAOYSA-N -1 3 389.419 2.814 20 30 GFEDHM C=CCNC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000735431834 598772442 /nfs/dbraw/zinc/77/24/42/598772442.db2.gz JEWUBMNBYRUGDS-LLVKDONJSA-N -1 3 396.476 2.793 20 30 GFEDHM C#CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000819709268 599558459 /nfs/dbraw/zinc/55/84/59/599558459.db2.gz ABMGACPOJOCPAE-UHFFFAOYSA-N -1 3 388.406 2.908 20 30 GFEDHM C#CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000819709268 599558462 /nfs/dbraw/zinc/55/84/62/599558462.db2.gz ABMGACPOJOCPAE-UHFFFAOYSA-N -1 3 388.406 2.908 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819745547 599676701 /nfs/dbraw/zinc/67/67/01/599676701.db2.gz IRPMGMQCBBPJGO-UHFFFAOYSA-N -1 3 378.436 2.643 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824744656 607428220 /nfs/dbraw/zinc/42/82/20/607428220.db2.gz CXBVRPOWEDSVAL-WMLDXEAASA-N -1 3 376.420 2.795 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000824744656 607428222 /nfs/dbraw/zinc/42/82/22/607428222.db2.gz CXBVRPOWEDSVAL-WMLDXEAASA-N -1 3 376.420 2.795 20 30 GFEDHM CC(C)n1ccnc1CN1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736532502 600569372 /nfs/dbraw/zinc/56/93/72/600569372.db2.gz QZJIAOYQQKGJHC-HXUWFJFHSA-N -1 3 381.480 2.669 20 30 GFEDHM Cc1ccccc1C(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832976618 601311906 /nfs/dbraw/zinc/31/19/06/601311906.db2.gz UXSVKFTWIMMOMD-HXUWFJFHSA-N -1 3 377.444 2.887 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000820529668 607503891 /nfs/dbraw/zinc/50/38/91/607503891.db2.gz QVMMCMZXBRVPNB-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM COc1sc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826222341 607532840 /nfs/dbraw/zinc/53/28/40/607532840.db2.gz TUVDYDLNZWDQDQ-UHFFFAOYSA-N -1 3 393.270 2.823 20 30 GFEDHM COc1sc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826222341 607532841 /nfs/dbraw/zinc/53/28/41/607532841.db2.gz TUVDYDLNZWDQDQ-UHFFFAOYSA-N -1 3 393.270 2.823 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823903925 607570419 /nfs/dbraw/zinc/57/04/19/607570419.db2.gz NGKJKGQFAQNOKO-UHFFFAOYSA-N -1 3 392.463 2.816 20 30 GFEDHM C=CCN(CCc1ccccc1)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823903925 607570421 /nfs/dbraw/zinc/57/04/21/607570421.db2.gz NGKJKGQFAQNOKO-UHFFFAOYSA-N -1 3 392.463 2.816 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CSCCS1 ZINC000823909413 607709269 /nfs/dbraw/zinc/70/92/69/607709269.db2.gz BYTDMJPLCWBZNT-OAHLLOKOSA-N -1 3 375.523 2.620 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CSCCS1 ZINC000823909413 607709270 /nfs/dbraw/zinc/70/92/70/607709270.db2.gz BYTDMJPLCWBZNT-OAHLLOKOSA-N -1 3 375.523 2.620 20 30 GFEDHM CN1CCCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC000833697378 605169814 /nfs/dbraw/zinc/16/98/14/605169814.db2.gz HIYJNXSWPSIFOB-UHFFFAOYSA-N -1 3 377.444 2.954 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC000825545178 607761704 /nfs/dbraw/zinc/76/17/04/607761704.db2.gz MTKURBZPQKSVOU-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC000825545178 607761705 /nfs/dbraw/zinc/76/17/05/607761705.db2.gz MTKURBZPQKSVOU-UHFFFAOYSA-N -1 3 383.393 2.621 20 30 GFEDHM C#CC[C@H](OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000819693182 606181225 /nfs/dbraw/zinc/18/12/25/606181225.db2.gz OLDBXMKIUSPHAF-KRWDZBQOSA-N -1 3 378.388 2.997 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000820528203 606182543 /nfs/dbraw/zinc/18/25/43/606182543.db2.gz MQSSZQBZUCNHQQ-GDBMZVCRSA-N -1 3 377.404 2.560 20 30 GFEDHM CCOc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821430910 606203596 /nfs/dbraw/zinc/20/35/96/606203596.db2.gz IWQAUABCGSNURI-UHFFFAOYSA-N -1 3 398.477 2.756 20 30 GFEDHM CCOc1ccccc1C1N=NC(=S)N1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821430910 606203599 /nfs/dbraw/zinc/20/35/99/606203599.db2.gz IWQAUABCGSNURI-UHFFFAOYSA-N -1 3 398.477 2.756 20 30 GFEDHM COCCN(CCC#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821689106 606280872 /nfs/dbraw/zinc/28/08/72/606280872.db2.gz KVYWJAIDJWHISY-UHFFFAOYSA-N -1 3 391.435 2.613 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NCCC)cc1 ZINC000819709838 606282219 /nfs/dbraw/zinc/28/22/19/606282219.db2.gz RDMZGJMCSNFCGX-UHFFFAOYSA-N -1 3 376.420 2.953 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822800979 606505182 /nfs/dbraw/zinc/50/51/82/606505182.db2.gz CQXQJNUJHIQIQZ-RBUKOAKNSA-N -1 3 387.447 2.577 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822800979 606505184 /nfs/dbraw/zinc/50/51/84/606505184.db2.gz CQXQJNUJHIQIQZ-RBUKOAKNSA-N -1 3 387.447 2.577 20 30 GFEDHM N#Cc1cc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)ccn1 ZINC000822819109 606653599 /nfs/dbraw/zinc/65/35/99/606653599.db2.gz KLJDGIDWPROMKA-UHFFFAOYSA-N -1 3 399.370 2.678 20 30 GFEDHM N#Cc1cc(COC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)ccn1 ZINC000822819109 606653600 /nfs/dbraw/zinc/65/36/00/606653600.db2.gz KLJDGIDWPROMKA-UHFFFAOYSA-N -1 3 399.370 2.678 20 30 GFEDHM N#Cc1ccc(CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C2CC2)cc1 ZINC000822826415 606669796 /nfs/dbraw/zinc/66/97/96/606669796.db2.gz WUIWOHFZGFXJNQ-UHFFFAOYSA-N -1 3 380.358 2.821 20 30 GFEDHM N#Cc1ccc(CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C2CC2)cc1 ZINC000822826415 606669797 /nfs/dbraw/zinc/66/97/97/606669797.db2.gz WUIWOHFZGFXJNQ-UHFFFAOYSA-N -1 3 380.358 2.821 20 30 GFEDHM N#CCCN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000822806933 606787354 /nfs/dbraw/zinc/78/73/54/606787354.db2.gz WLBYTJAUZDGTNF-UHFFFAOYSA-N -1 3 382.811 2.846 20 30 GFEDHM N#CCCN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000822806933 606787356 /nfs/dbraw/zinc/78/73/56/606787356.db2.gz WLBYTJAUZDGTNF-UHFFFAOYSA-N -1 3 382.811 2.846 20 30 GFEDHM C=CCn1c(SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccco1 ZINC000819765699 606848386 /nfs/dbraw/zinc/84/83/86/606848386.db2.gz QCRXXTDXQKLCHO-CQSZACIVSA-N -1 3 395.448 2.730 20 30 GFEDHM C=CCn1c(SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)nnc1-c1ccco1 ZINC000819765699 606848387 /nfs/dbraw/zinc/84/83/87/606848387.db2.gz QCRXXTDXQKLCHO-CQSZACIVSA-N -1 3 395.448 2.730 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821641302 606932701 /nfs/dbraw/zinc/93/27/01/606932701.db2.gz ZSHVOPDTJZRYMA-BIRHUZIMSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821641302 606932703 /nfs/dbraw/zinc/93/27/03/606932703.db2.gz ZSHVOPDTJZRYMA-BIRHUZIMSA-N -1 3 378.388 2.703 20 30 GFEDHM N#Cc1ccc(OCCOc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000822833843 607031893 /nfs/dbraw/zinc/03/18/93/607031893.db2.gz XHDQTIHNVHCSEK-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM N#Cc1ccc(OCCOc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000822833843 607031894 /nfs/dbraw/zinc/03/18/94/607031894.db2.gz XHDQTIHNVHCSEK-UHFFFAOYSA-N -1 3 386.209 2.959 20 30 GFEDHM C=CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1cccc(OC)c1 ZINC000819766433 607036201 /nfs/dbraw/zinc/03/62/01/607036201.db2.gz YLZPGDJSTBFZOU-UHFFFAOYSA-N -1 3 392.448 2.866 20 30 GFEDHM C=CCn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1cccc(OC)c1 ZINC000819766433 607036202 /nfs/dbraw/zinc/03/62/02/607036202.db2.gz YLZPGDJSTBFZOU-UHFFFAOYSA-N -1 3 392.448 2.866 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOc1ccc(C#N)cc1 ZINC000820005705 607089424 /nfs/dbraw/zinc/08/94/24/607089424.db2.gz WVRKQCQDUXZUNY-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOc1ccc(C#N)cc1 ZINC000820005705 607089425 /nfs/dbraw/zinc/08/94/25/607089425.db2.gz WVRKQCQDUXZUNY-UHFFFAOYSA-N -1 3 393.403 2.518 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC)nc1C ZINC000819745554 607138113 /nfs/dbraw/zinc/13/81/13/607138113.db2.gz JGXMBMUIBXJUDF-UHFFFAOYSA-N -1 3 379.424 2.799 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(OC)nc1C ZINC000819745554 607138114 /nfs/dbraw/zinc/13/81/14/607138114.db2.gz JGXMBMUIBXJUDF-UHFFFAOYSA-N -1 3 379.424 2.799 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196840 607170848 /nfs/dbraw/zinc/17/08/48/607170848.db2.gz YJCXVGCUOBMJPX-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196840 607170849 /nfs/dbraw/zinc/17/08/49/607170849.db2.gz YJCXVGCUOBMJPX-UHFFFAOYSA-N -1 3 394.410 2.948 20 30 GFEDHM N#Cc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822830136 607201320 /nfs/dbraw/zinc/20/13/20/607201320.db2.gz VQFRCXHOKSPPPQ-UHFFFAOYSA-N -1 3 383.799 2.592 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1-c1nnn[n-]1 ZINC000825531346 607835872 /nfs/dbraw/zinc/83/58/72/607835872.db2.gz IZEIBEPAEYZDPG-LLVKDONJSA-N -1 3 398.427 2.591 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1-c1nn[n-]n1 ZINC000825531346 607835873 /nfs/dbraw/zinc/83/58/73/607835873.db2.gz IZEIBEPAEYZDPG-LLVKDONJSA-N -1 3 398.427 2.591 20 30 GFEDHM C=C[C@H](CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823882951 607980779 /nfs/dbraw/zinc/98/07/79/607980779.db2.gz GWXPJTKKOONGER-CQSZACIVSA-N -1 3 395.419 2.918 20 30 GFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823878179 607983944 /nfs/dbraw/zinc/98/39/44/607983944.db2.gz SNLNTKFGGFJSEJ-CYBMUJFWSA-N -1 3 375.498 2.922 20 30 GFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823878179 607983945 /nfs/dbraw/zinc/98/39/45/607983945.db2.gz SNLNTKFGGFJSEJ-CYBMUJFWSA-N -1 3 375.498 2.922 20 30 GFEDHM CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377262 608024969 /nfs/dbraw/zinc/02/49/69/608024969.db2.gz ZMCVSPNONUMVHE-OAHLLOKOSA-N -1 3 390.447 2.921 20 30 GFEDHM CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377262 608024970 /nfs/dbraw/zinc/02/49/70/608024970.db2.gz ZMCVSPNONUMVHE-OAHLLOKOSA-N -1 3 390.447 2.921 20 30 GFEDHM N#Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826386270 608051045 /nfs/dbraw/zinc/05/10/45/608051045.db2.gz WSYURJSZKFNJJE-UHFFFAOYSA-N -1 3 385.225 2.992 20 30 GFEDHM N#Cc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c2ccccc2n1 ZINC000826384260 608052609 /nfs/dbraw/zinc/05/26/09/608052609.db2.gz NODNORUXKTYPMX-HXUWFJFHSA-N -1 3 383.415 2.864 20 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ZINC000824737448 608276039 /nfs/dbraw/zinc/27/60/39/608276039.db2.gz HGZLKKDIPYXKGB-STQMWFEESA-N -1 3 383.433 2.621 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2ccccc2n1CC#N ZINC000826172826 608351310 /nfs/dbraw/zinc/35/13/10/608351310.db2.gz ZGCJLZJQOLGWTM-UHFFFAOYSA-N -1 3 388.387 2.711 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2ccccc2n1CC#N ZINC000826172826 608351311 /nfs/dbraw/zinc/35/13/11/608351311.db2.gz ZGCJLZJQOLGWTM-UHFFFAOYSA-N -1 3 388.387 2.711 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384631 608395633 /nfs/dbraw/zinc/39/56/33/608395633.db2.gz CPVAQIMVPSEKQD-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384631 608395635 /nfs/dbraw/zinc/39/56/35/608395635.db2.gz CPVAQIMVPSEKQD-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823888586 608476895 /nfs/dbraw/zinc/47/68/95/608476895.db2.gz RCPHHHNJFBRUHZ-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823888586 608476897 /nfs/dbraw/zinc/47/68/97/608476897.db2.gz RCPHHHNJFBRUHZ-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000826350198 608536827 /nfs/dbraw/zinc/53/68/27/608536827.db2.gz LUZFISZBPXIBGN-UHFFFAOYSA-N -1 3 392.206 2.786 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000826350198 608536829 /nfs/dbraw/zinc/53/68/29/608536829.db2.gz LUZFISZBPXIBGN-UHFFFAOYSA-N -1 3 392.206 2.786 20 30 GFEDHM C=CCOc1cccnc1C(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823931680 608538929 /nfs/dbraw/zinc/53/89/29/608538929.db2.gz CZDXUKJYGWZBNT-UHFFFAOYSA-N -1 3 376.420 2.655 20 30 GFEDHM C=CCOc1cccnc1C(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823931680 608538930 /nfs/dbraw/zinc/53/89/30/608538930.db2.gz CZDXUKJYGWZBNT-UHFFFAOYSA-N -1 3 376.420 2.655 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cc3c(c(Cl)c2)OCO3)n1 ZINC000826350151 608540992 /nfs/dbraw/zinc/54/09/92/608540992.db2.gz KCWWQGWSDZXMHX-UHFFFAOYSA-N -1 3 378.179 2.743 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(F)cc(OC)c1 ZINC000823909702 608833468 /nfs/dbraw/zinc/83/34/68/608833468.db2.gz NXUCNXBDXUVPEX-UHFFFAOYSA-N -1 3 396.426 2.912 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc(F)cc(OC)c1 ZINC000823909702 608833470 /nfs/dbraw/zinc/83/34/70/608833470.db2.gz NXUCNXBDXUVPEX-UHFFFAOYSA-N -1 3 396.426 2.912 20 30 GFEDHM N#CCc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826382615 609183910 /nfs/dbraw/zinc/18/39/10/609183910.db2.gz NFIRIIZWQYITQI-UHFFFAOYSA-N -1 3 384.346 2.715 20 30 GFEDHM N#CCc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826382615 609183911 /nfs/dbraw/zinc/18/39/11/609183911.db2.gz NFIRIIZWQYITQI-UHFFFAOYSA-N -1 3 384.346 2.715 20 30 GFEDHM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400049 609270533 /nfs/dbraw/zinc/27/05/33/609270533.db2.gz NRKXKQKALKHMRE-RQOWECAXSA-N -1 3 397.322 2.581 20 30 GFEDHM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400049 609270534 /nfs/dbraw/zinc/27/05/34/609270534.db2.gz NRKXKQKALKHMRE-RQOWECAXSA-N -1 3 397.322 2.581 20 30 GFEDHM Cn1cc(C=NNCc2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360223 609304988 /nfs/dbraw/zinc/30/49/88/609304988.db2.gz BVOQGEGYOSYGBF-UHFFFAOYSA-N -1 3 376.399 2.530 20 30 GFEDHM Cn1cc(C=NNCc2cccc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360223 609304990 /nfs/dbraw/zinc/30/49/90/609304990.db2.gz BVOQGEGYOSYGBF-UHFFFAOYSA-N -1 3 376.399 2.530 20 30 GFEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1OC ZINC000826191040 609471548 /nfs/dbraw/zinc/47/15/48/609471548.db2.gz VIFZPURQZDZMOQ-UHFFFAOYSA-N -1 3 388.815 2.992 20 30 GFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1OC ZINC000826191040 609471551 /nfs/dbraw/zinc/47/15/51/609471551.db2.gz VIFZPURQZDZMOQ-UHFFFAOYSA-N -1 3 388.815 2.992 20 30 GFEDHM Clc1cc([N-][NH+]=Cc2ccc(N3CCOCC3)s2)ccc1-c1nn[n-]n1 ZINC000826351388 609471786 /nfs/dbraw/zinc/47/17/86/609471786.db2.gz KPLGHYKTNHCBIS-UHFFFAOYSA-N -1 3 389.872 2.864 20 30 GFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823920179 609535798 /nfs/dbraw/zinc/53/57/98/609535798.db2.gz ZMWSAZRDVNJOCG-UHFFFAOYSA-N -1 3 389.868 2.897 20 30 GFEDHM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823920179 609535800 /nfs/dbraw/zinc/53/58/00/609535800.db2.gz ZMWSAZRDVNJOCG-UHFFFAOYSA-N -1 3 389.868 2.897 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000826257474 609589478 /nfs/dbraw/zinc/58/94/78/609589478.db2.gz DTTDOVLYFXIOIO-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1 ZINC000826257474 609589480 /nfs/dbraw/zinc/58/94/80/609589480.db2.gz DTTDOVLYFXIOIO-UHFFFAOYSA-N -1 3 384.403 2.509 20 30 GFEDHM N#CCOc1ccc(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826382090 609614858 /nfs/dbraw/zinc/61/48/58/609614858.db2.gz NYVFCBXLFLZADQ-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM N#CCOc1ccc(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826382090 609614859 /nfs/dbraw/zinc/61/48/59/609614859.db2.gz NYVFCBXLFLZADQ-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM O=C(CCSc1ccnc2cc(Cl)ccc21)N[C@H]1CCCN([O-])C1=O ZINC000820482494 660295065 /nfs/dbraw/zinc/29/50/65/660295065.db2.gz LIEITKJTXNYNLJ-ZDUSSCGKSA-N -1 3 379.869 2.867 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000820482571 660295165 /nfs/dbraw/zinc/29/51/65/660295165.db2.gz NIEMFFBIHHPQGP-AWEZNQCLSA-N -1 3 381.270 2.757 20 30 GFEDHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000029336194 654575882 /nfs/dbraw/zinc/57/58/82/654575882.db2.gz DWPNHFZABKXOOT-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000272480954 655114443 /nfs/dbraw/zinc/11/44/43/655114443.db2.gz QVHFATDLWAURQR-GFCCVEGCSA-N -1 3 379.251 2.813 20 30 GFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000273572146 655148883 /nfs/dbraw/zinc/14/88/83/655148883.db2.gz GSEHDTNMJNRQAC-ZETCQYMHSA-N -1 3 387.284 2.520 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](SC)C2)ccc1F ZINC000117214183 655261132 /nfs/dbraw/zinc/26/11/32/655261132.db2.gz GBIMGVLEVJYKRE-UONOGXRCSA-N -1 3 386.514 2.694 20 30 GFEDHM N#C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(Br)c1 ZINC000436548158 655409217 /nfs/dbraw/zinc/40/92/17/655409217.db2.gz ZIKQTHXBAITLHY-LBPRGKRZSA-N -1 3 375.178 2.878 20 30 GFEDHM CCN(CC)S(=O)(=O)c1ccc(NN=Cc2cccc(Cl)c2[O-])nc1 ZINC000753159778 655851043 /nfs/dbraw/zinc/85/10/43/655851043.db2.gz ACPSIPNZQMQBAY-UHFFFAOYSA-N -1 3 382.873 2.917 20 30 GFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br ZINC000757360209 655911100 /nfs/dbraw/zinc/91/11/00/655911100.db2.gz BGPQNYHWRSHHLK-ZETCQYMHSA-N -1 3 382.663 2.742 20 30 GFEDHM Cc1cc(S(N)(=O)=O)ccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000772152717 656374035 /nfs/dbraw/zinc/37/40/35/656374035.db2.gz DXSFTMJVIPXEPH-GIJQJNRQSA-N -1 3 383.267 2.730 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(C(=O)OC[C@@H](C#N)Cc2cccs2)ccc1F ZINC000772734838 656387649 /nfs/dbraw/zinc/38/76/49/656387649.db2.gz RALQMCVXOLCNAY-LLVKDONJSA-N -1 3 382.438 2.798 20 30 GFEDHM CS(=O)(=O)N[C@@H]1CCCC[C@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000794676902 658596038 /nfs/dbraw/zinc/59/60/38/658596038.db2.gz REDSVRKNBRVWPY-RUECKKTJSA-N -1 3 389.315 2.682 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)cc1F ZINC000805104809 659740121 /nfs/dbraw/zinc/74/01/21/659740121.db2.gz ZKMMGAKPQQCGRU-GFCCVEGCSA-N -1 3 387.845 2.547 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)c1ccc(Cl)cc1 ZINC000810100739 659961993 /nfs/dbraw/zinc/96/19/93/659961993.db2.gz RPYKLPPMYCKBKB-GFCCVEGCSA-N -1 3 399.255 2.828 20 30 GFEDHM C#CC1CCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000844050257 661401807 /nfs/dbraw/zinc/40/18/07/661401807.db2.gz ZDNIZHNKILAUIN-UHFFFAOYSA-N -1 3 389.304 2.534 20 30 GFEDHM CC(C)(Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135567 661627133 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CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000915992031 664445738 /nfs/dbraw/zinc/44/57/38/664445738.db2.gz URICUDUDVWKCMV-VOTSOKGWSA-N -1 3 381.837 2.858 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCCC[C@H]1O ZINC000124920631 551318936 /nfs/dbraw/zinc/31/89/36/551318936.db2.gz ATDHEQREGVMXHB-CABCVRRESA-N -1 3 376.400 2.797 20 30 GFEDHM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1Br ZINC000179977524 552208627 /nfs/dbraw/zinc/20/86/27/552208627.db2.gz ZGNHGKSWSZIYRV-LLVKDONJSA-N -1 3 379.235 2.738 20 30 GFEDHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180125883 552214229 /nfs/dbraw/zinc/21/42/29/552214229.db2.gz IIYXQYPBVKWBSY-ZDUSSCGKSA-N -1 3 379.873 2.740 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000183521621 552311672 /nfs/dbraw/zinc/31/16/72/552311672.db2.gz HEHQYCOMLFPGMF-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc3c2OCOC3)c(Cl)c1 ZINC000183633644 552314963 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N#CC1(CS(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000280897043 563359518 /nfs/dbraw/zinc/35/95/18/563359518.db2.gz GODYYIRXRCUCKC-GFCCVEGCSA-N -1 3 382.791 2.615 20 30 GFEDHM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427144648 563460887 /nfs/dbraw/zinc/46/08/87/563460887.db2.gz OZHDCCDTTWZPPU-UHFFFAOYSA-N -1 3 381.816 2.853 20 30 GFEDHM CC[C@H]([N-]C(=O)C(=O)Nc1cc(F)c(OC(F)F)cc1F)C(F)(F)F ZINC000427416383 563467554 /nfs/dbraw/zinc/46/75/54/563467554.db2.gz VESTWKIJJUGUCV-VIFPVBQESA-N -1 3 376.228 2.962 20 30 GFEDHM COc1cc(Br)ccc1[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428395884 563490165 /nfs/dbraw/zinc/49/01/65/563490165.db2.gz CWBABUUZOBRIQH-JTQLQIEISA-N -1 3 396.266 2.764 20 30 GFEDHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000330688971 563517726 /nfs/dbraw/zinc/51/77/26/563517726.db2.gz VKLUHNCIIGOXAJ-CQSZACIVSA-N -1 3 389.315 2.642 20 30 GFEDHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000431629708 563565387 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CC(C)(C#N)CCCN1C([O-])=Cc2cc(Br)ccc2S1(=O)=O ZINC000289473364 563674933 /nfs/dbraw/zinc/67/49/33/563674933.db2.gz HMRNPYVSJMVSCL-UHFFFAOYSA-N -1 3 385.283 2.852 20 30 GFEDHM COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000437945252 563700787 /nfs/dbraw/zinc/70/07/87/563700787.db2.gz CQTHSUZQGCVEDA-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM C=C[C@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442611250 563776113 /nfs/dbraw/zinc/77/61/13/563776113.db2.gz RSXIDTZIGGMSBT-ZDUSSCGKSA-N -1 3 389.880 2.508 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000416429578 563828053 /nfs/dbraw/zinc/82/80/53/563828053.db2.gz WEYKFUUROUQUNW-MCIONIFRSA-N -1 3 385.283 2.557 20 30 GFEDHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416452456 563831047 /nfs/dbraw/zinc/83/10/47/563831047.db2.gz CUOJQBSMGFXAFS-UHFFFAOYSA-N -1 3 375.288 2.662 20 30 GFEDHM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416490353 563838061 /nfs/dbraw/zinc/83/80/61/563838061.db2.gz ULPQTQKARRIGAW-OAHLLOKOSA-N -1 3 387.299 2.540 20 30 GFEDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416493564 563838770 /nfs/dbraw/zinc/83/87/70/563838770.db2.gz HUGSBXQZXRULBG-JTQLQIEISA-N -1 3 383.271 2.577 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416534092 563844486 /nfs/dbraw/zinc/84/44/86/563844486.db2.gz YEXWQOGOKPMFLJ-SWLSCSKDSA-N -1 3 385.283 2.580 20 30 GFEDHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416665469 563859331 /nfs/dbraw/zinc/85/93/31/563859331.db2.gz VIJLCRRTJUHGBA-HNNXBMFYSA-N -1 3 376.459 2.762 20 30 GFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCC(=O)N(CC)CC)c(Cl)c1 ZINC000416947097 563863604 /nfs/dbraw/zinc/86/36/04/563863604.db2.gz ONIAISOQWWGACW-ZDUSSCGKSA-N -1 3 387.889 2.631 20 30 GFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000476527348 564343367 /nfs/dbraw/zinc/34/33/67/564343367.db2.gz WIZLOTDTUNGQIC-UHFFFAOYSA-N -1 3 390.299 2.556 20 30 GFEDHM C[C@H](Oc1ccccc1C#N)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511330792 564367165 /nfs/dbraw/zinc/36/71/65/564367165.db2.gz ASVUHUSHZOPDMM-NSHDSACASA-N -1 3 385.221 2.796 20 30 GFEDHM C=CCCC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511840507 564384026 /nfs/dbraw/zinc/38/40/26/564384026.db2.gz WAKNQHASPXKYGD-GFCCVEGCSA-N -1 3 391.896 2.801 20 30 GFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000544710108 564395639 /nfs/dbraw/zinc/39/56/39/564395639.db2.gz SJJGQPKTLOUUTD-NSHDSACASA-N -1 3 376.272 2.869 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Br)cn1 ZINC000481229407 564506690 /nfs/dbraw/zinc/50/66/90/564506690.db2.gz POTTVNWQLVLJIK-VIFPVBQESA-N -1 3 384.230 2.894 20 30 GFEDHM Cn1c2ccc(Cl)cc2nc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000548622162 564567636 /nfs/dbraw/zinc/56/76/36/564567636.db2.gz LDLCEQSNCIMUSV-UHFFFAOYSA-N -1 3 378.816 2.716 20 30 GFEDHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000520209483 564598553 /nfs/dbraw/zinc/59/85/53/564598553.db2.gz ZEHSEFIQRHIYEO-LBPRGKRZSA-N -1 3 388.331 2.575 20 30 GFEDHM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCO[C@H]1C1CC1 ZINC000575235175 564694320 /nfs/dbraw/zinc/69/43/20/564694320.db2.gz LIEOVEHBBDTGQF-JKSUJKDBSA-N -1 3 399.310 2.804 20 30 GFEDHM O=S(=O)([N-]CCOCC(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC000553437778 564720905 /nfs/dbraw/zinc/72/09/05/564720905.db2.gz IHGOYXQPSOHCNP-UHFFFAOYSA-N -1 3 385.257 2.582 20 30 GFEDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553494305 564723118 /nfs/dbraw/zinc/72/31/18/564723118.db2.gz DUWGZHIGRFFCJN-NSHDSACASA-N -1 3 395.278 2.936 20 30 GFEDHM C=CCCCCCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000579612185 564749010 /nfs/dbraw/zinc/74/90/10/564749010.db2.gz AURQCJBFPILZLJ-UHFFFAOYSA-N -1 3 378.416 2.846 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCN(c2ccccc2F)C1 ZINC000490458647 564772428 /nfs/dbraw/zinc/77/24/28/564772428.db2.gz FDWHGFJGXRSAKC-LBPRGKRZSA-N -1 3 379.844 2.908 20 30 GFEDHM C=CCCC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000583353095 564887312 /nfs/dbraw/zinc/88/73/12/564887312.db2.gz BCICORUXGXZHNN-GFCCVEGCSA-N -1 3 378.416 2.845 20 30 GFEDHM COCc1ccccc1C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000559636413 564938157 /nfs/dbraw/zinc/93/81/57/564938157.db2.gz DREBZRHHNPFQFT-UHFFFAOYSA-N -1 3 395.278 2.946 20 30 GFEDHM CC(C)COCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000559640706 564938331 /nfs/dbraw/zinc/93/83/31/564938331.db2.gz OAWQMBHSNITDFJ-UHFFFAOYSA-N -1 3 375.288 2.662 20 30 GFEDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(OC)c1 ZINC000503424002 565019438 /nfs/dbraw/zinc/01/94/38/565019438.db2.gz DZMPYXXRLGERJF-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM C=CCC1(NS(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)CCCC1 ZINC000657187780 565086373 /nfs/dbraw/zinc/08/63/73/565086373.db2.gz QCAWHVYSRGPFRA-UHFFFAOYSA-N -1 3 390.502 2.755 20 30 GFEDHM CCOc1ncccc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588110545 565126748 /nfs/dbraw/zinc/12/67/48/565126748.db2.gz GOKLUJBJJZPKAV-UHFFFAOYSA-N -1 3 396.266 2.593 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000616423070 565200687 /nfs/dbraw/zinc/20/06/87/565200687.db2.gz UWOCNPDVSJVCCB-UHFFFAOYSA-N -1 3 376.306 2.873 20 30 GFEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)[C@H]2CCCO[C@H]21 ZINC000591325746 565223525 /nfs/dbraw/zinc/22/35/25/565223525.db2.gz ZZWNUPRUQRWMMZ-BPLDGKMQSA-N -1 3 399.310 2.803 20 30 GFEDHM CCN(CC)C(=O)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593532692 565338396 /nfs/dbraw/zinc/33/83/96/565338396.db2.gz YMQRVRKWYUPLMH-UHFFFAOYSA-N -1 3 377.491 2.580 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000593537130 565339539 /nfs/dbraw/zinc/33/95/39/565339539.db2.gz FXZRXOJFHVXEFN-LLVKDONJSA-N -1 3 383.445 2.703 20 30 GFEDHM CN1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000593568451 565342699 /nfs/dbraw/zinc/34/26/99/565342699.db2.gz HSMWORKVCMAWII-BBRMVZONSA-N -1 3 383.445 2.622 20 30 GFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594727687 565411965 /nfs/dbraw/zinc/41/19/65/565411965.db2.gz RKAQHOADSOOXOJ-LBPRGKRZSA-N -1 3 381.679 2.700 20 30 GFEDHM CCc1nnc(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)s1 ZINC000594776262 565419352 /nfs/dbraw/zinc/41/93/52/565419352.db2.gz XJBKGWOQKLONKV-UHFFFAOYSA-N -1 3 378.504 2.974 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccnc1N1CCCC1 ZINC000594802828 565423304 /nfs/dbraw/zinc/42/33/04/565423304.db2.gz DTUYRXVBWOONNL-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM C=CCC[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000594808796 565423899 /nfs/dbraw/zinc/42/38/99/565423899.db2.gz BZXYCEUOWGGLRZ-UHFFFAOYSA-N -1 3 379.232 2.529 20 30 GFEDHM CCSC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000595351530 565467736 /nfs/dbraw/zinc/46/77/36/565467736.db2.gz VJZBSFRKWBDTJG-UHFFFAOYSA-N -1 3 375.313 2.885 20 30 GFEDHM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000644276906 565469007 /nfs/dbraw/zinc/46/90/07/565469007.db2.gz XHVMDVXPKUJFGG-RDDDGLTNSA-N -1 3 395.296 2.969 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCNc1ncnc2sccc21 ZINC000611014626 566110901 /nfs/dbraw/zinc/11/09/01/566110901.db2.gz AGWKRSBUQSRECM-UHFFFAOYSA-N -1 3 393.881 2.607 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)Nc1ccccc1 ZINC000611017460 566111493 /nfs/dbraw/zinc/11/14/93/566111493.db2.gz JVZHQTQBHAOFOT-UHFFFAOYSA-N -1 3 377.853 2.907 20 30 GFEDHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000611314369 566126299 /nfs/dbraw/zinc/12/62/99/566126299.db2.gz WKEKSCAXXUGADF-UHFFFAOYSA-N -1 3 376.400 2.939 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)cc2Br)CCOCC1 ZINC000657128026 566226489 /nfs/dbraw/zinc/22/64/89/566226489.db2.gz OZXXETBEQRHIAP-UHFFFAOYSA-N -1 3 378.263 2.992 20 30 GFEDHM Brc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000819688298 607252600 /nfs/dbraw/zinc/25/26/00/607252600.db2.gz FTFIUICBPSQZDZ-UHFFFAOYSA-N -1 3 399.252 2.906 20 30 GFEDHM Brc1ccc2c(c1)C(=NNCc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000819688298 607252601 /nfs/dbraw/zinc/25/26/01/607252601.db2.gz FTFIUICBPSQZDZ-UHFFFAOYSA-N -1 3 399.252 2.906 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000735443407 598866407 /nfs/dbraw/zinc/86/64/07/598866407.db2.gz ULNAJIUGROYARJ-UHFFFAOYSA-N -1 3 390.396 2.511 20 30 GFEDHM C=CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000735443407 598866409 /nfs/dbraw/zinc/86/64/09/598866409.db2.gz ULNAJIUGROYARJ-UHFFFAOYSA-N -1 3 390.396 2.511 20 30 GFEDHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737512923 598915713 /nfs/dbraw/zinc/91/57/13/598915713.db2.gz CAWFQIJUSOECFS-UHFFFAOYSA-N -1 3 392.467 2.779 20 30 GFEDHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737512923 598915715 /nfs/dbraw/zinc/91/57/15/598915715.db2.gz CAWFQIJUSOECFS-UHFFFAOYSA-N -1 3 392.467 2.779 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736235908 598921034 /nfs/dbraw/zinc/92/10/34/598921034.db2.gz PUKKHQRHKBEOKI-GTNSWQLSSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000736235908 598921035 /nfs/dbraw/zinc/92/10/35/598921035.db2.gz PUKKHQRHKBEOKI-GTNSWQLSSA-N -1 3 387.403 2.585 20 30 GFEDHM C=CCn1c2ccccc2nc1S[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735443478 599011113 /nfs/dbraw/zinc/01/11/13/599011113.db2.gz WOVZIYUMTUUTPP-INIZCTEOSA-N -1 3 391.460 2.721 20 30 GFEDHM C=CCn1c2ccccc2nc1S[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735443478 599011115 /nfs/dbraw/zinc/01/11/15/599011115.db2.gz WOVZIYUMTUUTPP-INIZCTEOSA-N -1 3 391.460 2.721 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000737081365 599151251 /nfs/dbraw/zinc/15/12/51/599151251.db2.gz NSLLZOVVBBDSHZ-ALCCZGGFSA-N -1 3 396.403 2.797 20 30 GFEDHM COc1ccc(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000737081365 599151253 /nfs/dbraw/zinc/15/12/53/599151253.db2.gz NSLLZOVVBBDSHZ-ALCCZGGFSA-N -1 3 396.403 2.797 20 30 GFEDHM Cc1nc(SCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483277 599202255 /nfs/dbraw/zinc/20/22/55/599202255.db2.gz MYGZDMNECAWDPV-WLRWDXFRSA-N -1 3 399.524 2.868 20 30 GFEDHM Cc1nc(SCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483277 599202256 /nfs/dbraw/zinc/20/22/56/599202256.db2.gz MYGZDMNECAWDPV-WLRWDXFRSA-N -1 3 399.524 2.868 20 30 GFEDHM N#CCOc1ccc(Cl)cc1COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737698154 599242585 /nfs/dbraw/zinc/24/25/85/599242585.db2.gz UHQUJOLXAAJEDY-UHFFFAOYSA-N -1 3 399.794 2.545 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1ccccc1C#N ZINC000736489374 599278058 /nfs/dbraw/zinc/27/80/58/599278058.db2.gz YXFWKIAAJKSCEP-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000735430169 598273352 /nfs/dbraw/zinc/27/33/52/598273352.db2.gz YZDUMWCGIPBUGU-ZDUSSCGKSA-N -1 3 394.435 2.770 20 30 GFEDHM C=CCNC(=O)[C@H](C)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000735430169 598273354 /nfs/dbraw/zinc/27/33/54/598273354.db2.gz YZDUMWCGIPBUGU-ZDUSSCGKSA-N -1 3 394.435 2.770 20 30 GFEDHM CNC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000736877477 598314012 /nfs/dbraw/zinc/31/40/12/598314012.db2.gz LYGHBQUSGFHPNZ-UHFFFAOYSA-N -1 3 389.341 2.691 20 30 GFEDHM CNC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000736877477 598314014 /nfs/dbraw/zinc/31/40/14/598314014.db2.gz LYGHBQUSGFHPNZ-UHFFFAOYSA-N -1 3 389.341 2.691 20 30 GFEDHM C=CCCC(=O)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735409340 598359058 /nfs/dbraw/zinc/35/90/58/598359058.db2.gz ZZEBPCUPVJVKQZ-UHFFFAOYSA-N -1 3 375.454 2.645 20 30 GFEDHM C=CCCC(=O)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735409340 598359060 /nfs/dbraw/zinc/35/90/60/598359060.db2.gz ZZEBPCUPVJVKQZ-UHFFFAOYSA-N -1 3 375.454 2.645 20 30 GFEDHM C#CCCOc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000735375393 598378054 /nfs/dbraw/zinc/37/80/54/598378054.db2.gz ZFDUFAPJQSFCHU-QGOAFFKASA-N -1 3 385.383 2.613 20 30 GFEDHM C#CCCOc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000735375393 598378056 /nfs/dbraw/zinc/37/80/56/598378056.db2.gz ZFDUFAPJQSFCHU-QGOAFFKASA-N -1 3 385.383 2.613 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000735380648 598432425 /nfs/dbraw/zinc/43/24/25/598432425.db2.gz KNSRZKJISSSBDK-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1cccc([C@@H](C)OC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000735380648 598432426 /nfs/dbraw/zinc/43/24/26/598432426.db2.gz KNSRZKJISSSBDK-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)nc1 ZINC000737710786 598444739 /nfs/dbraw/zinc/44/47/39/598444739.db2.gz CBROQDRBSGIGMF-UHFFFAOYSA-N -1 3 384.359 2.573 20 30 GFEDHM C=C1CCN(CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCC2)CC1 ZINC000735403226 598504630 /nfs/dbraw/zinc/50/46/30/598504630.db2.gz RVPIDHQAOYYJNE-UHFFFAOYSA-N -1 3 383.500 2.991 20 30 GFEDHM C=C1CCN(CC(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2C2CCCC2)CC1 ZINC000735403226 598504631 /nfs/dbraw/zinc/50/46/31/598504631.db2.gz RVPIDHQAOYYJNE-UHFFFAOYSA-N -1 3 383.500 2.991 20 30 GFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000735661624 598526588 /nfs/dbraw/zinc/52/65/88/598526588.db2.gz OZDGKDGQBYYRPT-UHFFFAOYSA-N -1 3 394.439 2.647 20 30 GFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000735661624 598526589 /nfs/dbraw/zinc/52/65/89/598526589.db2.gz OZDGKDGQBYYRPT-UHFFFAOYSA-N -1 3 394.439 2.647 20 30 GFEDHM Cc1cc(C(=O)N(C)C2(C#N)CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228149 598612084 /nfs/dbraw/zinc/61/20/84/598612084.db2.gz VNKZYWHAFKYMGO-UHFFFAOYSA-N -1 3 375.436 2.793 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000736169176 598625835 /nfs/dbraw/zinc/62/58/35/598625835.db2.gz KIEUGMFADDNXBE-QVKFZJNVSA-N -1 3 390.447 2.665 20 30 GFEDHM N#Cc1cc2c(nc1N1CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC1)CCC2 ZINC000737709514 598756314 /nfs/dbraw/zinc/75/63/14/598756314.db2.gz LMOCHQLFOJFZDD-UHFFFAOYSA-N -1 3 387.447 2.670 20 30 GFEDHM COCc1nc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000821696142 599340357 /nfs/dbraw/zinc/34/03/57/599340357.db2.gz YFYKMDIGLXBFTJ-UHFFFAOYSA-N -1 3 383.359 2.934 20 30 GFEDHM COCc1nc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000821696142 599340361 /nfs/dbraw/zinc/34/03/61/599340361.db2.gz YFYKMDIGLXBFTJ-UHFFFAOYSA-N -1 3 383.359 2.934 20 30 GFEDHM c1ccc2c(c1)OCCC2=NOCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823801757 599383330 /nfs/dbraw/zinc/38/33/30/599383330.db2.gz AGGKQHGKJBWYGY-UHFFFAOYSA-N -1 3 389.375 2.620 20 30 GFEDHM c1ccc2c(c1)OCCC2=NOCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823801757 599383333 /nfs/dbraw/zinc/38/33/33/599383333.db2.gz AGGKQHGKJBWYGY-UHFFFAOYSA-N -1 3 389.375 2.620 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819759256 599438032 /nfs/dbraw/zinc/43/80/32/599438032.db2.gz QXOVOEHQZXHALV-UHFFFAOYSA-N -1 3 382.399 2.570 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819759256 599438033 /nfs/dbraw/zinc/43/80/33/599438033.db2.gz QXOVOEHQZXHALV-UHFFFAOYSA-N -1 3 382.399 2.570 20 30 GFEDHM N#Cc1cc(F)ccc1N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822823269 599509240 /nfs/dbraw/zinc/50/92/40/599509240.db2.gz ODGMMOOBHPRXHC-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM N#Cc1cc(F)ccc1N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822823269 599509242 /nfs/dbraw/zinc/50/92/42/599509242.db2.gz ODGMMOOBHPRXHC-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM N#CCOc1cc(F)ccc1NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826382019 607394778 /nfs/dbraw/zinc/39/47/78/607394778.db2.gz LBZQAFQSMXXRSC-UHFFFAOYSA-N -1 3 393.382 2.719 20 30 GFEDHM N#CCOc1cc(F)ccc1NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826382019 607394780 /nfs/dbraw/zinc/39/47/80/607394780.db2.gz LBZQAFQSMXXRSC-UHFFFAOYSA-N -1 3 393.382 2.719 20 30 GFEDHM CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825654041 607398607 /nfs/dbraw/zinc/39/86/07/607398607.db2.gz NAJRRAWWDIQENF-HNNXBMFYSA-N -1 3 390.403 2.535 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823861741 607431185 /nfs/dbraw/zinc/43/11/85/607431185.db2.gz QOWQEEJYNRCGJN-UHFFFAOYSA-N -1 3 383.415 2.924 20 30 GFEDHM C#CCn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823861741 607431186 /nfs/dbraw/zinc/43/11/86/607431186.db2.gz QOWQEEJYNRCGJN-UHFFFAOYSA-N -1 3 383.415 2.924 20 30 GFEDHM COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000832389324 601236525 /nfs/dbraw/zinc/23/65/25/601236525.db2.gz RGPOBOUXRZZGHE-NTZNESFSSA-N -1 3 378.812 2.887 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000820549793 607503667 /nfs/dbraw/zinc/50/36/67/607503667.db2.gz RLMGFYRFCYASMX-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000820549793 607503669 /nfs/dbraw/zinc/50/36/69/607503669.db2.gz RLMGFYRFCYASMX-CYBMUJFWSA-N -1 3 382.807 2.882 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000823931850 607598470 /nfs/dbraw/zinc/59/84/70/607598470.db2.gz HTBHOMOMCRVBNW-UHFFFAOYSA-N -1 3 396.403 2.806 20 30 GFEDHM C=CCOc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1OC ZINC000823931850 607598471 /nfs/dbraw/zinc/59/84/71/607598471.db2.gz HTBHOMOMCRVBNW-UHFFFAOYSA-N -1 3 396.403 2.806 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1ccccc1Cl ZINC000824755895 607600543 /nfs/dbraw/zinc/60/05/43/607600543.db2.gz MQYWDSQMDJRAEA-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1ccccc1Cl ZINC000824755895 607600545 /nfs/dbraw/zinc/60/05/45/607600545.db2.gz MQYWDSQMDJRAEA-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM Cc1csc(=NCCc2ccccn2)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826320462 607634448 /nfs/dbraw/zinc/63/44/48/607634448.db2.gz RMXOZIXKCXRYSH-UHFFFAOYSA-N -1 3 396.505 2.520 20 30 GFEDHM Cc1csc(=NCCc2ccccn2)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826320462 607634450 /nfs/dbraw/zinc/63/44/50/607634450.db2.gz RMXOZIXKCXRYSH-UHFFFAOYSA-N -1 3 396.505 2.520 20 30 GFEDHM CN(C[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-] ZINC000828223291 603581137 /nfs/dbraw/zinc/58/11/37/603581137.db2.gz KUWZYCLPCOYWRV-GFCCVEGCSA-N -1 3 376.482 2.511 20 30 GFEDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000825266243 604243920 /nfs/dbraw/zinc/24/39/20/604243920.db2.gz VATTTZDJIGTXGU-DZKIICNBSA-N -1 3 393.447 2.592 20 30 GFEDHM N#C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801357 606206011 /nfs/dbraw/zinc/20/60/11/606206011.db2.gz HMICQGLLHGMTAH-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM N#C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000822801357 606206012 /nfs/dbraw/zinc/20/60/12/606206012.db2.gz HMICQGLLHGMTAH-GOSISDBHSA-N -1 3 375.388 2.905 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)ccc1-c1nnn[n-]1 ZINC000822823664 606255489 /nfs/dbraw/zinc/25/54/89/606255489.db2.gz XCHHEASESXYJSN-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)ccc1-c1nn[n-]n1 ZINC000822823664 606255490 /nfs/dbraw/zinc/25/54/90/606255490.db2.gz XCHHEASESXYJSN-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)C[C@H]2C)o1 ZINC000820107698 606340547 /nfs/dbraw/zinc/34/05/47/606340547.db2.gz ABGOCLRLBMZUSC-CQSZACIVSA-N -1 3 394.483 2.973 20 30 GFEDHM CCc1cc(N=NCc2ccc(-c3nnn[n-]3)s2)nc(-c2ccccn2)n1 ZINC000821469400 606370254 /nfs/dbraw/zinc/37/02/54/606370254.db2.gz DTHKIVMUWOSGTI-UHFFFAOYSA-N -1 3 377.437 2.789 20 30 GFEDHM CCc1cc(N=NCc2ccc(-c3nn[n-]n3)s2)nc(-c2ccccn2)n1 ZINC000821469400 606370257 /nfs/dbraw/zinc/37/02/57/606370257.db2.gz DTHKIVMUWOSGTI-UHFFFAOYSA-N -1 3 377.437 2.789 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000822842573 606481326 /nfs/dbraw/zinc/48/13/26/606481326.db2.gz OOSLGVVWMNYHBF-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM N#Cc1ccccc1N1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000822842573 606481328 /nfs/dbraw/zinc/48/13/28/606481328.db2.gz OOSLGVVWMNYHBF-UHFFFAOYSA-N -1 3 390.407 2.727 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822801148 606572704 /nfs/dbraw/zinc/57/27/04/606572704.db2.gz FFGAYUYPWJJGIH-NSHDSACASA-N -1 3 378.339 2.942 20 30 GFEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C(F)(F)F)c1 ZINC000822801148 606572705 /nfs/dbraw/zinc/57/27/05/606572705.db2.gz FFGAYUYPWJJGIH-NSHDSACASA-N -1 3 378.339 2.942 20 30 GFEDHM C[C@@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820219374 606660280 /nfs/dbraw/zinc/66/02/80/606660280.db2.gz FPGADIVUJJOLDY-LBPRGKRZSA-N -1 3 387.513 2.760 20 30 GFEDHM C[C@@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820219374 606660281 /nfs/dbraw/zinc/66/02/81/606660281.db2.gz FPGADIVUJJOLDY-LBPRGKRZSA-N -1 3 387.513 2.760 20 30 GFEDHM C#CCOc1ccc(F)cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819709602 606703743 /nfs/dbraw/zinc/70/37/43/606703743.db2.gz LRSFBQUAFGXLRC-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM C#CCOc1ccc(F)cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819709602 606703746 /nfs/dbraw/zinc/70/37/46/606703746.db2.gz LRSFBQUAFGXLRC-UHFFFAOYSA-N -1 3 391.366 2.680 20 30 GFEDHM N#Cc1ccc(OCCCOC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822833881 606757393 /nfs/dbraw/zinc/75/73/93/606757393.db2.gz ZBFBXAAJUTYWLP-UHFFFAOYSA-N -1 3 385.330 2.642 20 30 GFEDHM N#Cc1ccc(OCCCOC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822833881 606757394 /nfs/dbraw/zinc/75/73/94/606757394.db2.gz ZBFBXAAJUTYWLP-UHFFFAOYSA-N -1 3 385.330 2.642 20 30 GFEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819729852 606836662 /nfs/dbraw/zinc/83/66/62/606836662.db2.gz NSDBCFULOAFUIQ-ZDUSSCGKSA-N -1 3 392.419 2.597 20 30 GFEDHM C=C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819729852 606836665 /nfs/dbraw/zinc/83/66/65/606836665.db2.gz NSDBCFULOAFUIQ-ZDUSSCGKSA-N -1 3 392.419 2.597 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819758593 607025079 /nfs/dbraw/zinc/02/50/79/607025079.db2.gz AJECLXXDHMPRQR-UHFFFAOYSA-N -1 3 393.447 2.905 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819758593 607025081 /nfs/dbraw/zinc/02/50/81/607025081.db2.gz AJECLXXDHMPRQR-UHFFFAOYSA-N -1 3 393.447 2.905 20 30 GFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(C#N)cc1F ZINC000820004760 607117884 /nfs/dbraw/zinc/11/78/84/607117884.db2.gz BELFAOUUVZLKHO-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C#N)cc1F ZINC000820004760 607117886 /nfs/dbraw/zinc/11/78/86/607117886.db2.gz BELFAOUUVZLKHO-UHFFFAOYSA-N -1 3 381.367 2.778 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cnn(Cc2ccccc2)c1 ZINC000822936648 607151443 /nfs/dbraw/zinc/15/14/43/607151443.db2.gz WLOJSJUSOODDFX-FPLPWBNLSA-N -1 3 396.414 2.655 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cnn(Cc2ccccc2)c1 ZINC000822936648 607151444 /nfs/dbraw/zinc/15/14/44/607151444.db2.gz WLOJSJUSOODDFX-FPLPWBNLSA-N -1 3 396.414 2.655 20 30 GFEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)CC1CCCCC1 ZINC000823903734 607827632 /nfs/dbraw/zinc/82/76/32/607827632.db2.gz IWRQHTOKZYTXGO-UHFFFAOYSA-N -1 3 389.525 2.709 20 30 GFEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CC1CCCCC1 ZINC000823903734 607827633 /nfs/dbraw/zinc/82/76/33/607827633.db2.gz IWRQHTOKZYTXGO-UHFFFAOYSA-N -1 3 389.525 2.709 20 30 GFEDHM COc1ccc(CCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826191309 607830148 /nfs/dbraw/zinc/83/01/48/607830148.db2.gz CHRIZWFDEAUHBQ-UHFFFAOYSA-N -1 3 392.419 2.717 20 30 GFEDHM COc1ccc(CCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826191309 607830149 /nfs/dbraw/zinc/83/01/49/607830149.db2.gz CHRIZWFDEAUHBQ-UHFFFAOYSA-N -1 3 392.419 2.717 20 30 GFEDHM C[C@@H](C#N)CN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000824034429 607834653 /nfs/dbraw/zinc/83/46/53/607834653.db2.gz JPGDUDIQHVZXMI-VIFPVBQESA-N -1 3 377.355 2.624 20 30 GFEDHM C[C@@H](C#N)CN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000824034429 607834654 /nfs/dbraw/zinc/83/46/54/607834654.db2.gz JPGDUDIQHVZXMI-VIFPVBQESA-N -1 3 377.355 2.624 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3C)cc1-c1nnn[n-]1 ZINC000826191184 607842973 /nfs/dbraw/zinc/84/29/73/607842973.db2.gz ZLYRMCUTZARDBR-BAQGIRSFSA-N -1 3 389.415 2.680 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)CCC(=O)N3C)cc1-c1nn[n-]n1 ZINC000826191184 607842974 /nfs/dbraw/zinc/84/29/74/607842974.db2.gz ZLYRMCUTZARDBR-BAQGIRSFSA-N -1 3 389.415 2.680 20 30 GFEDHM C=CCc1ccc(OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)c(OC)c1 ZINC000823937311 607890229 /nfs/dbraw/zinc/89/02/29/607890229.db2.gz RGTDSPMHFHCLLM-UHFFFAOYSA-N -1 3 380.404 2.969 20 30 GFEDHM C=CCc1ccc(OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)c(OC)c1 ZINC000823937311 607890230 /nfs/dbraw/zinc/89/02/30/607890230.db2.gz RGTDSPMHFHCLLM-UHFFFAOYSA-N -1 3 380.404 2.969 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823898802 607944700 /nfs/dbraw/zinc/94/47/00/607944700.db2.gz BXXNFONJTCDGLV-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM C=CCCOCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823898802 607944701 /nfs/dbraw/zinc/94/47/01/607944701.db2.gz BXXNFONJTCDGLV-UHFFFAOYSA-N -1 3 379.420 2.982 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000824206929 607954663 /nfs/dbraw/zinc/95/46/63/607954663.db2.gz MADYTDIWSZFWIH-LJQANCHMSA-N -1 3 388.431 2.731 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000824206929 607954664 /nfs/dbraw/zinc/95/46/64/607954664.db2.gz MADYTDIWSZFWIH-LJQANCHMSA-N -1 3 388.431 2.731 20 30 GFEDHM C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000823850775 607966915 /nfs/dbraw/zinc/96/69/15/607966915.db2.gz SVBPGGPMJIQWIX-UHFFFAOYSA-N -1 3 378.461 2.674 20 30 GFEDHM C#CCNC(=S)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000823850775 607966916 /nfs/dbraw/zinc/96/69/16/607966916.db2.gz SVBPGGPMJIQWIX-UHFFFAOYSA-N -1 3 378.461 2.674 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826207717 607984459 /nfs/dbraw/zinc/98/44/59/607984459.db2.gz ZQRDSHVMCTUWRQ-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM COc1ccc(CSCC(=O)Nc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826207717 607984460 /nfs/dbraw/zinc/98/44/60/607984460.db2.gz ZQRDSHVMCTUWRQ-UHFFFAOYSA-N -1 3 380.433 2.619 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1-c1nnn[n-]1 ZINC000825545532 607995597 /nfs/dbraw/zinc/99/55/97/607995597.db2.gz SUYCIDUFCAZKSO-UHFFFAOYSA-N -1 3 391.391 2.753 20 30 GFEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1-c1nn[n-]n1 ZINC000825545532 607995598 /nfs/dbraw/zinc/99/55/98/607995598.db2.gz SUYCIDUFCAZKSO-UHFFFAOYSA-N -1 3 391.391 2.753 20 30 GFEDHM N#Cc1cccc([C@H]2CN(C(=S)Nc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000826386832 608047660 /nfs/dbraw/zinc/04/76/60/608047660.db2.gz UQQMOLVSSPRDMA-QGZVFWFLSA-N -1 3 391.460 2.509 20 30 GFEDHM N#Cc1cccc([C@H]2CN(C(=S)Nc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000826386832 608047661 /nfs/dbraw/zinc/04/76/61/608047661.db2.gz UQQMOLVSSPRDMA-QGZVFWFLSA-N -1 3 391.460 2.509 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823888909 608477160 /nfs/dbraw/zinc/47/71/60/608477160.db2.gz ZZIBUROXZMUBPG-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823888909 608477161 /nfs/dbraw/zinc/47/71/61/608477161.db2.gz ZZIBUROXZMUBPG-AWEZNQCLSA-N -1 3 394.435 2.965 20 30 GFEDHM COCCCOc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826157307 608539002 /nfs/dbraw/zinc/53/90/02/608539002.db2.gz QIIOQGHJKUFUOB-UHFFFAOYSA-N -1 3 387.831 2.776 20 30 GFEDHM COCCCOc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826157307 608539003 /nfs/dbraw/zinc/53/90/03/608539003.db2.gz QIIOQGHJKUFUOB-UHFFFAOYSA-N -1 3 387.831 2.776 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H](C)C1 ZINC000825499227 608540342 /nfs/dbraw/zinc/54/03/42/608540342.db2.gz INRNCXXFECVCSO-ZJUUUORDSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H](C)C1 ZINC000825499227 608540344 /nfs/dbraw/zinc/54/03/44/608540344.db2.gz INRNCXXFECVCSO-ZJUUUORDSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000825494089 608540388 /nfs/dbraw/zinc/54/03/88/608540388.db2.gz SCFNLULXPRNUNI-VIFPVBQESA-N -1 3 399.789 2.682 20 30 GFEDHM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000825494089 608540390 /nfs/dbraw/zinc/54/03/90/608540390.db2.gz SCFNLULXPRNUNI-VIFPVBQESA-N -1 3 399.789 2.682 20 30 GFEDHM CC(C)(CCC#N)CN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000824152887 608547205 /nfs/dbraw/zinc/54/72/05/608547205.db2.gz RVGKAHPAGJERDW-UHFFFAOYSA-N -1 3 396.455 2.567 20 30 GFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000826262022 608557688 /nfs/dbraw/zinc/55/76/88/608557688.db2.gz BUHNGSBKDIIAIP-UHFFFAOYSA-N -1 3 390.451 2.947 20 30 GFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 ZINC000826262022 608557689 /nfs/dbraw/zinc/55/76/89/608557689.db2.gz BUHNGSBKDIIAIP-UHFFFAOYSA-N -1 3 390.451 2.947 20 30 GFEDHM CCc1nn(C)cc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825762439 608879624 /nfs/dbraw/zinc/87/96/24/608879624.db2.gz BAXFYOMDOLQBGR-YFHOEESVSA-N -1 3 388.435 2.553 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CCOC)c1ccco1 ZINC000823909595 609196842 /nfs/dbraw/zinc/19/68/42/609196842.db2.gz KNYLQANWXNZYNO-QGZVFWFLSA-N -1 3 396.451 2.935 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CCOC)c1ccco1 ZINC000823909595 609196843 /nfs/dbraw/zinc/19/68/43/609196843.db2.gz KNYLQANWXNZYNO-QGZVFWFLSA-N -1 3 396.451 2.935 20 30 GFEDHM Cn1cc(C=CC(=O)c2cncc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359942 609309929 /nfs/dbraw/zinc/30/99/29/609309929.db2.gz TVDBJRCESPLKOO-VOTSOKGWSA-N -1 3 375.367 2.697 20 30 GFEDHM Cn1cc(C=CC(=O)c2cncc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359942 609309931 /nfs/dbraw/zinc/30/99/31/609309931.db2.gz TVDBJRCESPLKOO-VOTSOKGWSA-N -1 3 375.367 2.697 20 30 GFEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942598 609501418 /nfs/dbraw/zinc/50/14/18/609501418.db2.gz GWRWNANLTRKXBG-DHZHZOJOSA-N -1 3 375.348 2.689 20 30 GFEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942598 609501419 /nfs/dbraw/zinc/50/14/19/609501419.db2.gz GWRWNANLTRKXBG-DHZHZOJOSA-N -1 3 375.348 2.689 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824035375 609512252 /nfs/dbraw/zinc/51/22/52/609512252.db2.gz YEFKVTFTNUSFTO-NSHDSACASA-N -1 3 397.826 2.862 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824035375 609512253 /nfs/dbraw/zinc/51/22/53/609512253.db2.gz YEFKVTFTNUSFTO-NSHDSACASA-N -1 3 397.826 2.862 20 30 GFEDHM Cc1ccnc(N[C@H]2CC[C@H](Nc3nccc(C)c3-c3nnn[n-]3)CC2)c1C#N ZINC000826315026 609581649 /nfs/dbraw/zinc/58/16/49/609581649.db2.gz WBMWWZKZDGPIBW-SHTZXODSSA-N -1 3 389.467 2.980 20 30 GFEDHM Cc1ccnc(N[C@H]2CC[C@H](Nc3nccc(C)c3-c3nn[n-]n3)CC2)c1C#N ZINC000826315026 609581652 /nfs/dbraw/zinc/58/16/52/609581652.db2.gz WBMWWZKZDGPIBW-SHTZXODSSA-N -1 3 389.467 2.980 20 30 GFEDHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)c1ccc(C#N)cc1 ZINC000825380552 609588654 /nfs/dbraw/zinc/58/86/54/609588654.db2.gz QPUCRXHIFUFQLT-UHFFFAOYSA-N -1 3 398.430 2.899 20 30 GFEDHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)c1ccc(C#N)cc1 ZINC000825380552 609588655 /nfs/dbraw/zinc/58/86/55/609588655.db2.gz QPUCRXHIFUFQLT-UHFFFAOYSA-N -1 3 398.430 2.899 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(CC#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261458 609612212 /nfs/dbraw/zinc/61/22/12/609612212.db2.gz GELYYPHJKKFMPH-UHFFFAOYSA-N -1 3 399.414 2.784 20 30 GFEDHM Cc1cc(C(=O)OCc2ccc(CC#N)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261458 609612213 /nfs/dbraw/zinc/61/22/13/609612213.db2.gz GELYYPHJKKFMPH-UHFFFAOYSA-N -1 3 399.414 2.784 20 30 GFEDHM C=C(Br)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112631811 655194217 /nfs/dbraw/zinc/19/42/17/655194217.db2.gz RAWOODWGQQCIBC-UHFFFAOYSA-N -1 3 386.043 2.929 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2SCC)ccc1F ZINC000178089777 655297501 /nfs/dbraw/zinc/29/75/01/655297501.db2.gz XUBDSDGZWQTEGZ-GJZGRUSLSA-N -1 3 386.514 2.694 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000577053434 655456525 /nfs/dbraw/zinc/45/65/25/655456525.db2.gz SNBRWOPSXGQFCE-PSASIEDQSA-N -1 3 382.180 2.550 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCO1 ZINC000755131803 655880010 /nfs/dbraw/zinc/88/00/10/655880010.db2.gz JUPOXPLJDLROMT-WDEREUQCSA-N -1 3 378.675 2.562 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000755440477 655883497 /nfs/dbraw/zinc/88/34/97/655883497.db2.gz CAHHWGVLFVHFPC-JTQLQIEISA-N -1 3 379.251 2.813 20 30 GFEDHM C=CCNC(=O)[C@H](C)OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000769051575 656263727 /nfs/dbraw/zinc/26/37/27/656263727.db2.gz JCIZJJYQMRHYFC-JTQLQIEISA-N -1 3 378.226 2.687 20 30 GFEDHM CC(N=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1sccc1[O-] ZINC000769781898 656291169 /nfs/dbraw/zinc/29/11/69/656291169.db2.gz QJMYWSIAKWBMER-UHFFFAOYSA-N -1 3 380.495 2.859 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)c1ccc(Cl)cc1F ZINC000805104811 659740237 /nfs/dbraw/zinc/74/02/37/659740237.db2.gz ZKMMGAKPQQCGRU-LBPRGKRZSA-N -1 3 387.845 2.547 20 30 GFEDHM N#Cc1cc(S(=O)(=O)[N-]CC(F)(F)Br)ccc1C(F)(F)F ZINC000808573195 659899140 /nfs/dbraw/zinc/89/91/40/659899140.db2.gz XCZHWSXZEHLWTL-UHFFFAOYSA-N -1 3 393.131 2.843 20 30 GFEDHM COc1cc(C=NNc2ccc(S(=O)(=O)N(C)C)cc2)cc(Cl)c1[O-] ZINC000812232252 660021542 /nfs/dbraw/zinc/02/15/42/660021542.db2.gz ZUKNSHHUWBOXMT-UHFFFAOYSA-N -1 3 383.857 2.751 20 30 GFEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000816690181 660165551 /nfs/dbraw/zinc/16/55/51/660165551.db2.gz KGUCVDCQPLHYRU-GFCCVEGCSA-N -1 3 382.203 2.901 20 30 GFEDHM Cc1cc(SCC(=O)N[C@@H]2CCCN([O-])C2=O)c(C)cc1Br ZINC000816752703 660168052 /nfs/dbraw/zinc/16/80/52/660168052.db2.gz MGVWPTFTHFQESN-GFCCVEGCSA-N -1 3 387.299 2.654 20 30 GFEDHM Cc1c2cc(Br)cc(C)c2oc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848133523 661626692 /nfs/dbraw/zinc/62/66/92/661626692.db2.gz AKLLAYIJKKQNRG-GFCCVEGCSA-N -1 3 381.226 2.922 20 30 GFEDHM Cn1c(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1-c1ccccc1Br ZINC000848138252 661627104 /nfs/dbraw/zinc/62/71/04/661627104.db2.gz LAUSHFUJODAYGC-CYBMUJFWSA-N -1 3 392.253 2.565 20 30 GFEDHM C#C[C@](C)(CC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000854694784 661948314 /nfs/dbraw/zinc/94/83/14/661948314.db2.gz LMVZHYKNCACBRD-OAHLLOKOSA-N -1 3 377.293 2.580 20 30 GFEDHM CC(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1I ZINC000870136406 662675853 /nfs/dbraw/zinc/67/58/53/662675853.db2.gz MYIGZAODMHJGKE-SNVBAGLBSA-N -1 3 380.189 2.954 20 30 GFEDHM O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000878731048 662903839 /nfs/dbraw/zinc/90/38/39/662903839.db2.gz DOVAXYZWUMLELW-SNVBAGLBSA-N -1 3 381.738 2.783 20 30 GFEDHM CCCCCCCCCN(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000918397424 664498872 /nfs/dbraw/zinc/49/88/72/664498872.db2.gz CXIQDRHVCACCJK-UHFFFAOYSA-N -1 3 388.306 2.920 20 30 GFEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000920943886 664534587 /nfs/dbraw/zinc/53/45/87/664534587.db2.gz CKWVWXTXQSAFRL-PQQLAPNWSA-N -1 3 383.267 2.982 20 30 GFEDHM Cc1ncc(CO)c(/C=N\Cc2cc(Br)c3c(c2)OCCO3)c1[O-] ZINC000920990932 664535251 /nfs/dbraw/zinc/53/52/51/664535251.db2.gz KBJHGGQCTUBURI-UWVJOHFNSA-N -1 3 393.237 2.741 20 30 GFEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](N1CCOCC1)C(F)(F)F ZINC000285442372 563520932 /nfs/dbraw/zinc/52/09/32/563520932.db2.gz PNPWUIKOWCYCGQ-KMDAILJESA-N -1 3 381.192 2.837 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000435597264 563654452 /nfs/dbraw/zinc/65/44/52/563654452.db2.gz KTSQPJOPBXRVCY-IINYFYTJSA-N -1 3 378.263 2.848 20 30 GFEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)s1 ZINC000124458921 551314727 /nfs/dbraw/zinc/31/47/27/551314727.db2.gz RRPFUVGKJTUXOY-INIZCTEOSA-N -1 3 377.491 2.708 20 30 GFEDHM CC(C)c1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000126129382 551326510 /nfs/dbraw/zinc/32/65/10/551326510.db2.gz LWICJPZCGJLROE-CYBMUJFWSA-N -1 3 379.873 2.740 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1csc(N2CCCC2)n1 ZINC000157589024 551539697 /nfs/dbraw/zinc/53/96/97/551539697.db2.gz SNTFHOVZWSQGFD-UHFFFAOYSA-N -1 3 396.925 2.789 20 30 GFEDHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)C#N)c(Br)c1 ZINC000175168898 552116810 /nfs/dbraw/zinc/11/68/10/552116810.db2.gz RQGQLZHBLFVWPL-MRVPVSSYSA-N -1 3 396.104 2.958 20 30 GFEDHM Cc1c(C#N)cccc1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000178864763 552177505 /nfs/dbraw/zinc/17/75/05/552177505.db2.gz DKDNBAPEMXSRDS-UHFFFAOYSA-N -1 3 398.897 2.682 20 30 GFEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(C#N)cc1Br ZINC000182260999 552279456 /nfs/dbraw/zinc/27/94/56/552279456.db2.gz BGMTWTJQTRGHOJ-UHFFFAOYSA-N -1 3 394.250 2.791 20 30 GFEDHM C=C[C@@](C)(CCOC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681532 563318935 /nfs/dbraw/zinc/31/89/35/563318935.db2.gz XZVHTWYUSCEISA-LBPRGKRZSA-N -1 3 384.196 2.797 20 30 GFEDHM Cc1nsc([N-]C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1C#N ZINC000297510024 563328585 /nfs/dbraw/zinc/32/85/85/563328585.db2.gz VUAZNEJJBWXLOA-UHFFFAOYSA-N -1 3 377.451 2.507 20 30 GFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000425137415 563406220 /nfs/dbraw/zinc/40/62/20/563406220.db2.gz XQANVJRSLVRRPD-LLVKDONJSA-N -1 3 397.909 2.771 20 30 GFEDHM Cc1ncc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)cc1C#N ZINC000427251989 563463486 /nfs/dbraw/zinc/46/34/86/563463486.db2.gz YXQCILDUWXMPFF-QHCPKHFHSA-N -1 3 383.882 2.594 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000329297933 563478466 /nfs/dbraw/zinc/47/84/66/563478466.db2.gz UCHDUUHVJHEVDU-HNNXBMFYSA-N -1 3 399.310 2.948 20 30 GFEDHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330214406 563499293 /nfs/dbraw/zinc/49/92/93/563499293.db2.gz GEGIKYBMHQGPAM-CYBMUJFWSA-N -1 3 399.285 2.887 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C#N ZINC000330759061 563520221 /nfs/dbraw/zinc/52/02/21/563520221.db2.gz JZYPMOIGWBSVGT-LDYMZIIASA-N -1 3 377.235 2.567 20 30 GFEDHM C[C@@H]([N-]C(=O)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000411531918 563622289 /nfs/dbraw/zinc/62/22/89/563622289.db2.gz YPAXBEJWHQCCNZ-MLUIRONXSA-N -1 3 378.219 2.751 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000333233543 563625486 /nfs/dbraw/zinc/62/54/86/563625486.db2.gz YTODEIHKTAGJQJ-NWANDNLSSA-N -1 3 397.294 2.557 20 30 GFEDHM N#Cc1cnccc1[N-]C(=O)c1cc(I)c(F)cc1F ZINC000435362460 563648851 /nfs/dbraw/zinc/64/88/51/563648851.db2.gz OQKOBGZQDCAAFZ-UHFFFAOYSA-N -1 3 385.111 2.510 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCc3c(Cl)cccc3C2)s1 ZINC000435420114 563649733 /nfs/dbraw/zinc/64/97/33/563649733.db2.gz BSFYFOXEWFWAKG-UHFFFAOYSA-N -1 3 381.910 2.610 20 30 GFEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCc2ccccc2C1 ZINC000435442675 563651505 /nfs/dbraw/zinc/65/15/05/563651505.db2.gz JXEXJSXPEWVWLR-INIZCTEOSA-N -1 3 375.519 2.735 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCCCO2 ZINC000443071249 563790284 /nfs/dbraw/zinc/79/02/84/563790284.db2.gz NHSDOQAUBHXFRL-UHFFFAOYSA-N -1 3 378.837 2.851 20 30 GFEDHM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416473998 563834210 /nfs/dbraw/zinc/83/42/10/563834210.db2.gz XLEYZKXRFNUPQS-UHFFFAOYSA-N -1 3 375.288 2.540 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416494534 563838764 /nfs/dbraw/zinc/83/87/64/563838764.db2.gz KNAJCFWJDPQWLX-PWSUYJOCSA-N -1 3 380.344 2.626 20 30 GFEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416498065 563839489 /nfs/dbraw/zinc/83/94/89/563839489.db2.gz UQAHGCSIDMRRDA-ONGXEEELSA-N -1 3 377.344 2.974 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCC1 ZINC000416665742 563859011 /nfs/dbraw/zinc/85/90/11/563859011.db2.gz DEJPLTCRRLYIIN-UHFFFAOYSA-N -1 3 380.267 2.969 20 30 GFEDHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447870960 563888808 /nfs/dbraw/zinc/88/88/08/563888808.db2.gz GSYMVBUQYPAQLK-SECBINFHSA-N -1 3 397.268 2.617 20 30 GFEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000508075495 564252458 /nfs/dbraw/zinc/25/24/58/564252458.db2.gz ZSBYKYWNFUZLGU-IAQYHMDHSA-N -1 3 392.930 2.677 20 30 GFEDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)cn1C ZINC000451067941 564270057 /nfs/dbraw/zinc/27/00/57/564270057.db2.gz XRAPRNPHFCJMIX-UHFFFAOYSA-N -1 3 381.841 2.722 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cc1Br ZINC000510507281 564336630 /nfs/dbraw/zinc/33/66/30/564336630.db2.gz YMJCBSLVKUNDOF-UHFFFAOYSA-N -1 3 383.189 2.942 20 30 GFEDHM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC2 ZINC000476400150 564338045 /nfs/dbraw/zinc/33/80/45/564338045.db2.gz VYQGJFOEXVKJKA-CQSZACIVSA-N -1 3 378.885 2.825 20 30 GFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)c1 ZINC000479135838 564426716 /nfs/dbraw/zinc/42/67/16/564426716.db2.gz APVIDHZXHUQKKU-HNNXBMFYSA-N -1 3 376.400 2.612 20 30 GFEDHM C=CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000452780618 564431204 /nfs/dbraw/zinc/43/12/04/564431204.db2.gz YDPNSAULLRCTQL-UHFFFAOYSA-N -1 3 398.834 2.966 20 30 GFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000546759530 564466398 /nfs/dbraw/zinc/46/63/98/564466398.db2.gz FOLBYIDRFDKCQN-LLVKDONJSA-N -1 3 387.299 2.967 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000480736310 564484853 /nfs/dbraw/zinc/48/48/53/564484853.db2.gz LWSGKDZSRSHOMW-GXFFZTMASA-N -1 3 396.241 2.689 20 30 GFEDHM N#Cc1ccc(F)c(CNC(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000482200560 564537400 /nfs/dbraw/zinc/53/74/00/564537400.db2.gz OVDLKQQJQVYOQV-UHFFFAOYSA-N -1 3 388.200 2.851 20 30 GFEDHM CC1(C#N)CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000482641086 564547462 /nfs/dbraw/zinc/54/74/62/564547462.db2.gz XCJGSKHLZOZRJB-UHFFFAOYSA-N -1 3 380.629 2.930 20 30 GFEDHM CC1(C#N)CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000482641086 564547465 /nfs/dbraw/zinc/54/74/65/564547465.db2.gz XCJGSKHLZOZRJB-UHFFFAOYSA-N -1 3 380.629 2.930 20 30 GFEDHM C=CC(C)(C)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000456119708 564590085 /nfs/dbraw/zinc/59/00/85/564590085.db2.gz SPOPIDDSCKTULL-LLVKDONJSA-N -1 3 378.416 2.701 20 30 GFEDHM CC(C)(CC#N)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000457986632 564682409 /nfs/dbraw/zinc/68/24/09/564682409.db2.gz IPHQKZPTNQGDLS-UHFFFAOYSA-N -1 3 397.547 2.958 20 30 GFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1nccs1 ZINC000553857623 564740730 /nfs/dbraw/zinc/74/07/30/564740730.db2.gz YOZCBVXPTPDIJZ-SECBINFHSA-N -1 3 386.296 2.859 20 30 GFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000578349439 564743566 /nfs/dbraw/zinc/74/35/66/564743566.db2.gz OIOAALDDBNHJTI-UHFFFAOYSA-N -1 3 380.267 2.627 20 30 GFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528409401 564782809 /nfs/dbraw/zinc/78/28/09/564782809.db2.gz AAJNOGNXQHPDDQ-MNOVXSKESA-N -1 3 381.372 2.606 20 30 GFEDHM COCC1(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000555376910 564791958 /nfs/dbraw/zinc/79/19/58/564791958.db2.gz HZZKLMJWSCBPPM-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)n1 ZINC000557083564 564853143 /nfs/dbraw/zinc/85/31/43/564853143.db2.gz SXPIQMQKVJTPBU-UHFFFAOYSA-N -1 3 383.271 2.577 20 30 GFEDHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000561342977 564992479 /nfs/dbraw/zinc/99/24/79/564992479.db2.gz XXAVHYWPXSYKFE-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM CC(C)CCOCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561502393 564997208 /nfs/dbraw/zinc/99/72/08/564997208.db2.gz OLXLXEQRRUXXPX-UHFFFAOYSA-N -1 3 375.288 2.662 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561550818 565001177 /nfs/dbraw/zinc/00/11/77/565001177.db2.gz FBAKHZPXBYOEPP-ABAIWWIYSA-N -1 3 385.283 2.580 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000561548870 565001434 /nfs/dbraw/zinc/00/14/34/565001434.db2.gz OSRYLIFLEOEIEV-UHFFFAOYSA-N -1 3 377.294 2.729 20 30 GFEDHM N#CC1(CCS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)CCCCC1 ZINC000584768877 565095980 /nfs/dbraw/zinc/09/59/80/565095980.db2.gz DQRKHZSREIWHIH-UHFFFAOYSA-N -1 3 377.388 2.980 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000588144383 565129129 /nfs/dbraw/zinc/12/91/29/565129129.db2.gz HBNREPCJCQMKIT-CYBMUJFWSA-N -1 3 385.272 2.919 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000591327979 565224501 /nfs/dbraw/zinc/22/45/01/565224501.db2.gz MJNPRSMRSFCWBD-UHFFFAOYSA-N -1 3 392.278 2.726 20 30 GFEDHM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593526341 565337909 /nfs/dbraw/zinc/33/79/09/565337909.db2.gz ZMLFPKYNYHUYRI-AWEZNQCLSA-N -1 3 378.475 2.981 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000593535348 565339156 /nfs/dbraw/zinc/33/91/56/565339156.db2.gz XPYOQAIODXVNGJ-QGZVFWFLSA-N -1 3 376.459 2.821 20 30 GFEDHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2ccsc2C#N)N(C)C)cc1 ZINC000593600614 565346223 /nfs/dbraw/zinc/34/62/23/565346223.db2.gz CCPNIJJMGXBYHQ-AWEZNQCLSA-N -1 3 381.548 2.923 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594485426 565394980 /nfs/dbraw/zinc/39/49/80/565394980.db2.gz SFPYRSFATZUHMT-GOEBONIOSA-N -1 3 399.310 2.947 20 30 GFEDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)no1 ZINC000594753527 565415648 /nfs/dbraw/zinc/41/56/48/565415648.db2.gz RWRWAWSWOJAAFH-UHFFFAOYSA-N -1 3 376.463 2.986 20 30 GFEDHM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594764924 565416572 /nfs/dbraw/zinc/41/65/72/565416572.db2.gz FJVUGEAKUZIVJI-NSHDSACASA-N -1 3 388.417 2.557 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)F)C1 ZINC000594784022 565420134 /nfs/dbraw/zinc/42/01/34/565420134.db2.gz YZIDCJSNLUNQJS-GFCCVEGCSA-N -1 3 385.461 2.699 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cccnc1N1CCCC1 ZINC000594804420 565422883 /nfs/dbraw/zinc/42/28/83/565422883.db2.gz YZJMKWBLCRWZRK-UHFFFAOYSA-N -1 3 376.869 2.685 20 30 GFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000594820063 565426475 /nfs/dbraw/zinc/42/64/75/565426475.db2.gz ZILLRTQUDVVOKZ-CQSZACIVSA-N -1 3 380.363 2.866 20 30 GFEDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)C1(F)F ZINC000595350393 565467136 /nfs/dbraw/zinc/46/71/36/565467136.db2.gz BXEAUDCNROSGLV-NSHDSACASA-N -1 3 379.226 2.890 20 30 GFEDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)C1(F)F ZINC000595351627 565467225 /nfs/dbraw/zinc/46/72/25/565467225.db2.gz IVUOSSXANMYPQN-LLVKDONJSA-N -1 3 379.226 2.890 20 30 GFEDHM C=CCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000657077031 566219702 /nfs/dbraw/zinc/21/97/02/566219702.db2.gz JEJYHGQULAUYHC-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735387916 598849389 /nfs/dbraw/zinc/84/93/89/598849389.db2.gz KWYFSDYEDMTBID-UHFFFAOYSA-N -1 3 379.445 2.755 20 30 GFEDHM C#CCSCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387916 598849390 /nfs/dbraw/zinc/84/93/90/598849390.db2.gz KWYFSDYEDMTBID-UHFFFAOYSA-N -1 3 379.445 2.755 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735407894 598849408 /nfs/dbraw/zinc/84/94/08/598849408.db2.gz AKZUPSZINNCXPG-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735407894 598849409 /nfs/dbraw/zinc/84/94/09/598849409.db2.gz AKZUPSZINNCXPG-UHFFFAOYSA-N -1 3 376.848 2.663 20 30 GFEDHM Fc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000822748406 607252855 /nfs/dbraw/zinc/25/28/55/607252855.db2.gz XOORASLXLHPZDK-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Fc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000822748406 607252856 /nfs/dbraw/zinc/25/28/56/607252856.db2.gz XOORASLXLHPZDK-UHFFFAOYSA-N -1 3 375.205 2.892 20 30 GFEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737347424 598932512 /nfs/dbraw/zinc/93/25/12/598932512.db2.gz QCTRZIMVMDLDSG-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737347424 598932514 /nfs/dbraw/zinc/93/25/14/598932514.db2.gz QCTRZIMVMDLDSG-UHFFFAOYSA-N -1 3 382.449 2.593 20 30 GFEDHM O=C1Nc2ccccc2C12CCC(=NNCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000823547931 607254755 /nfs/dbraw/zinc/25/47/55/607254755.db2.gz QVKDVMKBMGDTLI-UHFFFAOYSA-N -1 3 387.447 2.776 20 30 GFEDHM O=C1Nc2ccccc2C12CCC(=NNCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000823547931 607254756 /nfs/dbraw/zinc/25/47/56/607254756.db2.gz QVKDVMKBMGDTLI-UHFFFAOYSA-N -1 3 387.447 2.776 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000736509341 598970540 /nfs/dbraw/zinc/97/05/40/598970540.db2.gz VIDCZKZASCNUHF-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000736509341 598970543 /nfs/dbraw/zinc/97/05/43/598970543.db2.gz VIDCZKZASCNUHF-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000736509041 598971752 /nfs/dbraw/zinc/97/17/52/598971752.db2.gz QZPYCXUCCUFPGA-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000736509041 598971754 /nfs/dbraw/zinc/97/17/54/598971754.db2.gz QZPYCXUCCUFPGA-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736508390 598998707 /nfs/dbraw/zinc/99/87/07/598998707.db2.gz KZNVCBRXQBXALD-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736508390 598998709 /nfs/dbraw/zinc/99/87/09/598998709.db2.gz KZNVCBRXQBXALD-CQSZACIVSA-N -1 3 396.476 2.819 20 30 GFEDHM Cc1c(NCC(=O)Nc2ccccc2SCC#N)cccc1-c1nnn[n-]1 ZINC000822121800 607257504 /nfs/dbraw/zinc/25/75/04/607257504.db2.gz GWDADRPSCMFBDA-UHFFFAOYSA-N -1 3 379.449 2.841 20 30 GFEDHM Cc1c(NCC(=O)Nc2ccccc2SCC#N)cccc1-c1nn[n-]n1 ZINC000822121800 607257505 /nfs/dbraw/zinc/25/75/05/607257505.db2.gz GWDADRPSCMFBDA-UHFFFAOYSA-N -1 3 379.449 2.841 20 30 GFEDHM N#CCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737697885 599052993 /nfs/dbraw/zinc/05/29/93/599052993.db2.gz OFYCYGMOHRPANR-UHFFFAOYSA-N -1 3 375.314 2.795 20 30 GFEDHM N#CCOc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737697885 599052995 /nfs/dbraw/zinc/05/29/95/599052995.db2.gz OFYCYGMOHRPANR-UHFFFAOYSA-N -1 3 375.314 2.795 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000737080471 599125193 /nfs/dbraw/zinc/12/51/93/599125193.db2.gz BIELVKQIOWGASY-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC000737080471 599125195 /nfs/dbraw/zinc/12/51/95/599125195.db2.gz BIELVKQIOWGASY-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM C=CCOCCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000819759196 599152689 /nfs/dbraw/zinc/15/26/89/599152689.db2.gz PYVIBTSUSSTOMQ-UHFFFAOYSA-N -1 3 381.440 2.591 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOC3=O)cc2)cc1-c1nnn[n-]1 ZINC000737080898 599155486 /nfs/dbraw/zinc/15/54/86/599155486.db2.gz IKVFZMQMLXHNNF-WAPJZHGLSA-N -1 3 391.387 2.728 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCOC3=O)cc2)cc1-c1nn[n-]n1 ZINC000737080898 599155488 /nfs/dbraw/zinc/15/54/88/599155488.db2.gz IKVFZMQMLXHNNF-WAPJZHGLSA-N -1 3 391.387 2.728 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ncc(-c2ccccc2F)o1 ZINC000737703777 599163277 /nfs/dbraw/zinc/16/32/77/599163277.db2.gz BJJSCGJWAKBVIT-UHFFFAOYSA-N -1 3 394.395 2.802 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ncc(-c2ccccc2F)o1 ZINC000737703777 599163279 /nfs/dbraw/zinc/16/32/79/599163279.db2.gz BJJSCGJWAKBVIT-UHFFFAOYSA-N -1 3 394.395 2.802 20 30 GFEDHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737189311 599193577 /nfs/dbraw/zinc/19/35/77/599193577.db2.gz DUXXGMDBVROYJO-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737189311 599193579 /nfs/dbraw/zinc/19/35/79/599193579.db2.gz DUXXGMDBVROYJO-LLVKDONJSA-N -1 3 380.433 2.866 20 30 GFEDHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735500003 599195398 /nfs/dbraw/zinc/19/53/98/599195398.db2.gz VQISXYAKEGRHGV-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735500003 599195400 /nfs/dbraw/zinc/19/54/00/599195400.db2.gz VQISXYAKEGRHGV-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736336284 598253876 /nfs/dbraw/zinc/25/38/76/598253876.db2.gz BXXOPHVDYXFUGT-UHFFFAOYSA-N -1 3 396.904 2.861 20 30 GFEDHM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736336284 598253878 /nfs/dbraw/zinc/25/38/78/598253878.db2.gz BXXOPHVDYXFUGT-UHFFFAOYSA-N -1 3 396.904 2.861 20 30 GFEDHM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451318 598313439 /nfs/dbraw/zinc/31/34/39/598313439.db2.gz XLADMIFYXAMURY-UHFFFAOYSA-N -1 3 392.391 2.699 20 30 GFEDHM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451318 598313441 /nfs/dbraw/zinc/31/34/41/598313441.db2.gz XLADMIFYXAMURY-UHFFFAOYSA-N -1 3 392.391 2.699 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736417798 598331535 /nfs/dbraw/zinc/33/15/35/598331535.db2.gz WGQCXNCJLRXPOJ-INIZCTEOSA-N -1 3 376.420 2.868 20 30 GFEDHM CCC[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736417798 598331537 /nfs/dbraw/zinc/33/15/37/598331537.db2.gz WGQCXNCJLRXPOJ-INIZCTEOSA-N -1 3 376.420 2.868 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735387994 598417748 /nfs/dbraw/zinc/41/77/48/598417748.db2.gz NRTWXDSFZVIPKV-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735387994 598417749 /nfs/dbraw/zinc/41/77/49/598417749.db2.gz NRTWXDSFZVIPKV-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735379934 598432232 /nfs/dbraw/zinc/43/22/32/598432232.db2.gz ACXATNMFNPJSRH-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735379934 598432234 /nfs/dbraw/zinc/43/22/34/598432234.db2.gz ACXATNMFNPJSRH-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735381235 598434187 /nfs/dbraw/zinc/43/41/87/598434187.db2.gz ROMGJGVYICLYKE-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737694819 598504323 /nfs/dbraw/zinc/50/43/23/598504323.db2.gz PZVRANNEBMXHCN-UHFFFAOYSA-N -1 3 393.476 2.601 20 30 GFEDHM N#CCCSc1ccccc1NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737694819 598504324 /nfs/dbraw/zinc/50/43/24/598504324.db2.gz PZVRANNEBMXHCN-UHFFFAOYSA-N -1 3 393.476 2.601 20 30 GFEDHM CC(C)CN(c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000735830111 598506251 /nfs/dbraw/zinc/50/62/51/598506251.db2.gz DKCJIKQMFCGXBX-UHFFFAOYSA-N -1 3 396.476 2.731 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000735426311 598550604 /nfs/dbraw/zinc/55/06/04/598550604.db2.gz PGUUCTZDRSIURW-AWEZNQCLSA-N -1 3 396.520 2.860 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000735426311 598550605 /nfs/dbraw/zinc/55/06/05/598550605.db2.gz PGUUCTZDRSIURW-AWEZNQCLSA-N -1 3 396.520 2.860 20 30 GFEDHM COc1cc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)ccc1SC ZINC000737047222 598584884 /nfs/dbraw/zinc/58/48/84/598584884.db2.gz JXJGPFSURZQPTO-UHFFFAOYSA-N -1 3 385.478 2.738 20 30 GFEDHM COc1cc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)ccc1SC ZINC000737047222 598584886 /nfs/dbraw/zinc/58/48/86/598584886.db2.gz JXJGPFSURZQPTO-UHFFFAOYSA-N -1 3 385.478 2.738 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737675758 598591586 /nfs/dbraw/zinc/59/15/86/598591586.db2.gz RTVXLEJGCCRZDW-OAHLLOKOSA-N -1 3 386.337 2.809 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000737675758 598591588 /nfs/dbraw/zinc/59/15/88/598591588.db2.gz RTVXLEJGCCRZDW-OAHLLOKOSA-N -1 3 386.337 2.809 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737720066 598620762 /nfs/dbraw/zinc/62/07/62/598620762.db2.gz ZQWQQJYYOKYRLG-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737720066 598620763 /nfs/dbraw/zinc/62/07/63/598620763.db2.gz ZQWQQJYYOKYRLG-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM CCOc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1O ZINC000736627001 598639111 /nfs/dbraw/zinc/63/91/11/598639111.db2.gz WGFYCTYIJNAVBA-CLFYSBASSA-N -1 3 379.420 2.923 20 30 GFEDHM CCOc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1O ZINC000736627001 598639113 /nfs/dbraw/zinc/63/91/13/598639113.db2.gz WGFYCTYIJNAVBA-CLFYSBASSA-N -1 3 379.420 2.923 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)nc1 ZINC000737718187 598671455 /nfs/dbraw/zinc/67/14/55/598671455.db2.gz LAYLQUNKQJNJIU-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)nc1 ZINC000737718187 598671457 /nfs/dbraw/zinc/67/14/57/598671457.db2.gz LAYLQUNKQJNJIU-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1Cl ZINC000737718925 598671566 /nfs/dbraw/zinc/67/15/66/598671566.db2.gz NXJIDQFPKOGAIU-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1Cl ZINC000737718925 598671568 /nfs/dbraw/zinc/67/15/68/598671568.db2.gz NXJIDQFPKOGAIU-UHFFFAOYSA-N -1 3 380.843 2.868 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737710539 598797865 /nfs/dbraw/zinc/79/78/65/598797865.db2.gz VLKZXZVCLWCEEZ-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1cc([N+](=O)[O-])ccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737710539 598797867 /nfs/dbraw/zinc/79/78/67/598797867.db2.gz VLKZXZVCLWCEEZ-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1ccccc1C=CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737727208 598807776 /nfs/dbraw/zinc/80/77/76/598807776.db2.gz GUNYFQAEYQAYEP-JXMROGBWSA-N -1 3 382.387 2.576 20 30 GFEDHM N#Cc1ccc(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000737718006 599333835 /nfs/dbraw/zinc/33/38/35/599333835.db2.gz DJFSJSILJDLBGI-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM N#Cc1ccc(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000737718006 599333838 /nfs/dbraw/zinc/33/38/38/599333838.db2.gz DJFSJSILJDLBGI-UHFFFAOYSA-N -1 3 387.325 2.808 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cnn(-c2ccccc2)c1 ZINC000737804438 599463809 /nfs/dbraw/zinc/46/38/09/599463809.db2.gz BKKJNODADHBAKF-FPLPWBNLSA-N -1 3 382.387 2.596 20 30 GFEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cnn(-c2ccccc2)c1 ZINC000737804438 599463812 /nfs/dbraw/zinc/46/38/12/599463812.db2.gz BKKJNODADHBAKF-FPLPWBNLSA-N -1 3 382.387 2.596 20 30 GFEDHM C=C(COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)OCC ZINC000735402168 599606346 /nfs/dbraw/zinc/60/63/46/599606346.db2.gz KSHULGLHKMBEGR-UHFFFAOYSA-N -1 3 393.403 2.886 20 30 GFEDHM N#Cc1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822837154 599633119 /nfs/dbraw/zinc/63/31/19/599633119.db2.gz HFXBUYCTXHFSFX-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM N#Cc1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822837154 599633120 /nfs/dbraw/zinc/63/31/20/599633120.db2.gz HFXBUYCTXHFSFX-UHFFFAOYSA-N -1 3 388.309 2.775 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821737523 607421071 /nfs/dbraw/zinc/42/10/71/607421071.db2.gz XHARODMJRYJTTC-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000821737523 607421073 /nfs/dbraw/zinc/42/10/73/607421073.db2.gz XHARODMJRYJTTC-UHFFFAOYSA-N -1 3 393.403 2.648 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824744657 607428420 /nfs/dbraw/zinc/42/84/20/607428420.db2.gz CXBVRPOWEDSVAL-YOEHRIQHSA-N -1 3 376.420 2.795 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000824744657 607428422 /nfs/dbraw/zinc/42/84/22/607428422.db2.gz CXBVRPOWEDSVAL-YOEHRIQHSA-N -1 3 376.420 2.795 20 30 GFEDHM CON=Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000831836713 601776742 /nfs/dbraw/zinc/77/67/42/601776742.db2.gz LAPJFUASTSFSOC-QFIPXVFZSA-N -1 3 395.459 2.516 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3ccc(Cl)cc32)cc1-c1nnn[n-]1 ZINC000826203614 607559429 /nfs/dbraw/zinc/55/94/29/607559429.db2.gz XOGBQEVNQBNURZ-UHFFFAOYSA-N -1 3 391.822 2.983 20 30 GFEDHM COc1ccc(CNc2c(C#N)cnc3ccc(Cl)cc32)cc1-c1nn[n-]n1 ZINC000826203614 607559430 /nfs/dbraw/zinc/55/94/30/607559430.db2.gz XOGBQEVNQBNURZ-UHFFFAOYSA-N -1 3 391.822 2.983 20 30 GFEDHM N#Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000826386195 607572159 /nfs/dbraw/zinc/57/21/59/607572159.db2.gz TVEAJRMLNAQJOS-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352019 602547352 /nfs/dbraw/zinc/54/73/52/602547352.db2.gz SVMIOHKIGPKLSJ-UONOGXRCSA-N -1 3 386.477 2.937 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000738485759 602680274 /nfs/dbraw/zinc/68/02/74/602680274.db2.gz QMSCLVUBDAJMKF-WMZOPIPTSA-N -1 3 378.517 2.591 20 30 GFEDHM Clc1ccc(C#CCN2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822574072 606110856 /nfs/dbraw/zinc/11/08/56/606110856.db2.gz NXJNSIVJRLTKJD-UHFFFAOYSA-N -1 3 378.867 2.694 20 30 GFEDHM Clc1ccc(C#CCN2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822574072 606110858 /nfs/dbraw/zinc/11/08/58/606110858.db2.gz NXJNSIVJRLTKJD-UHFFFAOYSA-N -1 3 378.867 2.694 20 30 GFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)COc1cccc(C#N)c1 ZINC000821123268 606282112 /nfs/dbraw/zinc/28/21/12/606282112.db2.gz OZEKPTWUMDKDKK-UHFFFAOYSA-N -1 3 377.408 2.578 20 30 GFEDHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822166963 606301293 /nfs/dbraw/zinc/30/12/93/606301293.db2.gz AGLNHNZYMQYWQX-CRAIPNDOSA-N -1 3 375.436 2.696 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821334534 606305460 /nfs/dbraw/zinc/30/54/60/606305460.db2.gz NGEBQKKFLGFNJZ-VOTSOKGWSA-N -1 3 384.417 2.766 20 30 GFEDHM CCOC(=O)COc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821334534 606305461 /nfs/dbraw/zinc/30/54/61/606305461.db2.gz NGEBQKKFLGFNJZ-VOTSOKGWSA-N -1 3 384.417 2.766 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000820525578 606434568 /nfs/dbraw/zinc/43/45/68/606434568.db2.gz GGPHNCRYZJPSEL-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(NC(C)C)nc1 ZINC000819745460 606583070 /nfs/dbraw/zinc/58/30/70/606583070.db2.gz DTKAJCVGFCDRAV-UHFFFAOYSA-N -1 3 377.452 2.910 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(NC(C)C)nc1 ZINC000819745460 606583072 /nfs/dbraw/zinc/58/30/72/606583072.db2.gz DTKAJCVGFCDRAV-UHFFFAOYSA-N -1 3 377.452 2.910 20 30 GFEDHM O=C(C=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F)Nc1ccccc1 ZINC000822935413 606595782 /nfs/dbraw/zinc/59/57/82/606595782.db2.gz KEPOBODRQQGRFQ-UHFFFAOYSA-N -1 3 388.334 2.609 20 30 GFEDHM O=C(C=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F)Nc1ccccc1 ZINC000822935413 606595783 /nfs/dbraw/zinc/59/57/83/606595783.db2.gz KEPOBODRQQGRFQ-UHFFFAOYSA-N -1 3 388.334 2.609 20 30 GFEDHM C#CCN(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000819697959 606827632 /nfs/dbraw/zinc/82/76/32/606827632.db2.gz PIEHCUODWOETEU-UHFFFAOYSA-N -1 3 384.509 2.687 20 30 GFEDHM C#CCN(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000819697959 606827633 /nfs/dbraw/zinc/82/76/33/606827633.db2.gz PIEHCUODWOETEU-UHFFFAOYSA-N -1 3 384.509 2.687 20 30 GFEDHM N#Cc1cc(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822818520 606999228 /nfs/dbraw/zinc/99/92/28/606999228.db2.gz BFDGFEWMBLILCN-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821309636 607102322 /nfs/dbraw/zinc/10/23/22/607102322.db2.gz QDLWHVSHEDBSCB-UHFFFAOYSA-N -1 3 379.449 2.901 20 30 GFEDHM CCNc1ccc(C#N)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821309636 607102324 /nfs/dbraw/zinc/10/23/24/607102324.db2.gz QDLWHVSHEDBSCB-UHFFFAOYSA-N -1 3 379.449 2.901 20 30 GFEDHM N#Cc1ccc(N[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(Cl)c1 ZINC000822829955 607124188 /nfs/dbraw/zinc/12/41/88/607124188.db2.gz QTLOATBDGHVRJD-ZDUSSCGKSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1ccc(N[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(Cl)c1 ZINC000822829955 607124190 /nfs/dbraw/zinc/12/41/90/607124190.db2.gz QTLOATBDGHVRJD-ZDUSSCGKSA-N -1 3 385.840 2.671 20 30 GFEDHM N#Cc1ccc([C@H](O)COc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000826384738 607874189 /nfs/dbraw/zinc/87/41/89/607874189.db2.gz HQJBHSGLUPKNNT-CQSZACIVSA-N -1 3 386.209 2.613 20 30 GFEDHM N#Cc1ccc([C@H](O)COc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000826384738 607874190 /nfs/dbraw/zinc/87/41/90/607874190.db2.gz HQJBHSGLUPKNNT-CQSZACIVSA-N -1 3 386.209 2.613 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000823915566 607920960 /nfs/dbraw/zinc/92/09/60/607920960.db2.gz ZXTJLNZMTDLRRU-UHFFFAOYSA-N -1 3 388.431 2.713 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000823915566 607920961 /nfs/dbraw/zinc/92/09/61/607920961.db2.gz ZXTJLNZMTDLRRU-UHFFFAOYSA-N -1 3 388.431 2.713 20 30 GFEDHM C=CCCOCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823899345 607944695 /nfs/dbraw/zinc/94/46/95/607944695.db2.gz SWCHDCDQENDICP-UHFFFAOYSA-N -1 3 380.452 2.597 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C(F)F ZINC000824284648 608004371 /nfs/dbraw/zinc/00/43/71/608004371.db2.gz LAFLPYTVSBTZMU-UHFFFAOYSA-N -1 3 386.366 2.781 20 30 GFEDHM CC(C)Cn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C(F)F ZINC000824284648 608004372 /nfs/dbraw/zinc/00/43/72/608004372.db2.gz LAFLPYTVSBTZMU-UHFFFAOYSA-N -1 3 386.366 2.781 20 30 GFEDHM N#CCOc1cccc(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826382002 608023665 /nfs/dbraw/zinc/02/36/65/608023665.db2.gz KHFFPUADXQICIH-UHFFFAOYSA-N -1 3 388.431 2.503 20 30 GFEDHM N#CCOc1cccc(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000826382002 608023666 /nfs/dbraw/zinc/02/36/66/608023666.db2.gz KHFFPUADXQICIH-UHFFFAOYSA-N -1 3 388.431 2.503 20 30 GFEDHM C[C@]1(C#N)CCCN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000824778098 608125939 /nfs/dbraw/zinc/12/59/39/608125939.db2.gz NMUCNXSRCDZCQW-LJQANCHMSA-N -1 3 399.524 2.761 20 30 GFEDHM C[C@]1(C#N)CCCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000824778098 608125940 /nfs/dbraw/zinc/12/59/40/608125940.db2.gz NMUCNXSRCDZCQW-LJQANCHMSA-N -1 3 399.524 2.761 20 30 GFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000826162731 608135753 /nfs/dbraw/zinc/13/57/53/608135753.db2.gz PWVMRCPWGNCVSV-AWEZNQCLSA-N -1 3 394.435 2.795 20 30 GFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000826162731 608135754 /nfs/dbraw/zinc/13/57/54/608135754.db2.gz PWVMRCPWGNCVSV-AWEZNQCLSA-N -1 3 394.435 2.795 20 30 GFEDHM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825225712 608158361 /nfs/dbraw/zinc/15/83/61/608158361.db2.gz WVXAHCPYJFQXOP-UHFFFAOYSA-N -1 3 382.877 2.661 20 30 GFEDHM CCCC(C#N)(CCC)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825225712 608158362 /nfs/dbraw/zinc/15/83/62/608158362.db2.gz WVXAHCPYJFQXOP-UHFFFAOYSA-N -1 3 382.877 2.661 20 30 GFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826387354 608304239 /nfs/dbraw/zinc/30/42/39/608304239.db2.gz QYQBYJFAGFLYMT-UHFFFAOYSA-N -1 3 381.399 2.730 20 30 GFEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826387354 608304241 /nfs/dbraw/zinc/30/42/41/608304241.db2.gz QYQBYJFAGFLYMT-UHFFFAOYSA-N -1 3 381.399 2.730 20 30 GFEDHM COc1cc2c(c(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c1)O[C@@H](C)C2 ZINC000826178986 608534347 /nfs/dbraw/zinc/53/43/47/608534347.db2.gz TWBJUPGUKQRIML-VIFPVBQESA-N -1 3 385.815 2.693 20 30 GFEDHM COc1cc2c(c(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c1)O[C@@H](C)C2 ZINC000826178986 608534349 /nfs/dbraw/zinc/53/43/49/608534349.db2.gz TWBJUPGUKQRIML-VIFPVBQESA-N -1 3 385.815 2.693 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823887876 608535732 /nfs/dbraw/zinc/53/57/32/608535732.db2.gz AERFAFBQASTKAE-MRXNPFEDSA-N -1 3 392.463 2.518 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823887876 608535733 /nfs/dbraw/zinc/53/57/33/608535733.db2.gz AERFAFBQASTKAE-MRXNPFEDSA-N -1 3 392.463 2.518 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H](C)C1 ZINC000825499222 608540155 /nfs/dbraw/zinc/54/01/55/608540155.db2.gz INRNCXXFECVCSO-UWVGGRQHSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H](C)C1 ZINC000825499222 608540156 /nfs/dbraw/zinc/54/01/56/608540156.db2.gz INRNCXXFECVCSO-UWVGGRQHSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H](C)C1 ZINC000825499220 608540381 /nfs/dbraw/zinc/54/03/81/608540381.db2.gz INRNCXXFECVCSO-NXEZZACHSA-N -1 3 377.836 2.682 20 30 GFEDHM CCOC(=O)[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H](C)C1 ZINC000825499220 608540383 /nfs/dbraw/zinc/54/03/83/608540383.db2.gz INRNCXXFECVCSO-NXEZZACHSA-N -1 3 377.836 2.682 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826162399 608876454 /nfs/dbraw/zinc/87/64/54/608876454.db2.gz ADYCBVMGOYUULV-DAXSKMNVSA-N -1 3 398.394 2.936 20 30 GFEDHM COCCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826162399 608876457 /nfs/dbraw/zinc/87/64/57/608876457.db2.gz ADYCBVMGOYUULV-DAXSKMNVSA-N -1 3 398.394 2.936 20 30 GFEDHM CC(=NNc1ccc(Br)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958060 609159042 /nfs/dbraw/zinc/15/90/42/609159042.db2.gz AEPLMGLOEVMCLP-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM CC(=NNc1ccc(Br)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958060 609159043 /nfs/dbraw/zinc/15/90/43/609159043.db2.gz AEPLMGLOEVMCLP-UHFFFAOYSA-N -1 3 376.193 2.999 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000824738788 609243564 /nfs/dbraw/zinc/24/35/64/609243564.db2.gz RIGQRIOQENSEDD-CQSZACIVSA-N -1 3 389.415 2.933 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc2c1OCCO2 ZINC000826178550 609274178 /nfs/dbraw/zinc/27/41/78/609274178.db2.gz CGXVKTCARZGYAY-DJWKRKHSSA-N -1 3 382.351 2.682 20 30 GFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc2c1OCCO2 ZINC000826178550 609274179 /nfs/dbraw/zinc/27/41/79/609274179.db2.gz CGXVKTCARZGYAY-DJWKRKHSSA-N -1 3 382.351 2.682 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234109 609309172 /nfs/dbraw/zinc/30/91/72/609309172.db2.gz ILDGNKIFAKKAEZ-ALCCZGGFSA-N -1 3 382.355 2.866 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234109 609309174 /nfs/dbraw/zinc/30/91/74/609309174.db2.gz ILDGNKIFAKKAEZ-ALCCZGGFSA-N -1 3 382.355 2.866 20 30 GFEDHM CC(C)(C#N)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824058727 609411422 /nfs/dbraw/zinc/41/14/22/609411422.db2.gz BCXRGSHNZBLLCJ-UHFFFAOYSA-N -1 3 375.436 2.883 20 30 GFEDHM CC(C)(C#N)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824058727 609411425 /nfs/dbraw/zinc/41/14/25/609411425.db2.gz BCXRGSHNZBLLCJ-UHFFFAOYSA-N -1 3 375.436 2.883 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824034783 609512312 /nfs/dbraw/zinc/51/23/12/609512312.db2.gz PCZQOUUXUXJQTA-GFCCVEGCSA-N -1 3 388.391 2.820 20 30 GFEDHM C[C@H](C#N)Oc1ccccc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824034783 609512313 /nfs/dbraw/zinc/51/23/13/609512313.db2.gz PCZQOUUXUXJQTA-GFCCVEGCSA-N -1 3 388.391 2.820 20 30 GFEDHM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCN(CCC(F)(F)F)CC2)o1 ZINC000824352392 609515826 /nfs/dbraw/zinc/51/58/26/609515826.db2.gz BYTOSTGGIMHOCL-UHFFFAOYSA-N -1 3 386.382 2.794 20 30 GFEDHM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCN(CCC(F)(F)F)CC2)o1 ZINC000824352392 609515827 /nfs/dbraw/zinc/51/58/27/609515827.db2.gz BYTOSTGGIMHOCL-UHFFFAOYSA-N -1 3 386.382 2.794 20 30 GFEDHM Cc1c(Cl)cnc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1C#N ZINC000826237813 609532911 /nfs/dbraw/zinc/53/29/11/609532911.db2.gz MGESFLNKTOHAFK-UHFFFAOYSA-N -1 3 398.833 2.561 20 30 GFEDHM Cc1c(Cl)cnc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1C#N ZINC000826237813 609532913 /nfs/dbraw/zinc/53/29/13/609532913.db2.gz MGESFLNKTOHAFK-UHFFFAOYSA-N -1 3 398.833 2.561 20 30 GFEDHM Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257931 609572940 /nfs/dbraw/zinc/57/29/40/609572940.db2.gz TZHAOLDIIPJNID-UHFFFAOYSA-N -1 3 392.467 2.763 20 30 GFEDHM Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257931 609572942 /nfs/dbraw/zinc/57/29/42/609572942.db2.gz TZHAOLDIIPJNID-UHFFFAOYSA-N -1 3 392.467 2.763 20 30 GFEDHM N#CCOc1cccc(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826382266 609617914 /nfs/dbraw/zinc/61/79/14/609617914.db2.gz WCMQBZQJXZPXLT-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM N#CCOc1cccc(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826382266 609617915 /nfs/dbraw/zinc/61/79/15/609617915.db2.gz WCMQBZQJXZPXLT-UHFFFAOYSA-N -1 3 383.795 2.708 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824034721 609623530 /nfs/dbraw/zinc/62/35/30/609623530.db2.gz NUTVZNUNKKMRDN-ZDUSSCGKSA-N -1 3 392.419 2.954 20 30 GFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824034721 609623531 /nfs/dbraw/zinc/62/35/31/609623531.db2.gz NUTVZNUNKKMRDN-ZDUSSCGKSA-N -1 3 392.419 2.954 20 30 GFEDHM Cc1nc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1C#N ZINC000487753502 650737699 /nfs/dbraw/zinc/73/76/99/650737699.db2.gz QUOQVEZVNTXXKW-UHFFFAOYSA-N -1 3 385.276 2.959 20 30 GFEDHM C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000025508324 654550611 /nfs/dbraw/zinc/55/06/11/654550611.db2.gz MBEWNFCUGJNWOZ-VIFPVBQESA-N -1 3 381.458 2.913 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc(Cl)cc2C)ccc1F ZINC000135936973 655025467 /nfs/dbraw/zinc/02/54/67/655025467.db2.gz LPINMAOKUDLNDO-UHFFFAOYSA-N -1 3 383.832 2.899 20 30 GFEDHM C=CCCCCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000575813946 655437741 /nfs/dbraw/zinc/43/77/41/655437741.db2.gz DVOCNKOVQJDZDG-UHFFFAOYSA-N -1 3 395.344 2.652 20 30 GFEDHM COc1ccc(NC(=S)NN=Cc2cc(Br)ccc2[O-])cn1 ZINC000729641502 655566286 /nfs/dbraw/zinc/56/62/86/655566286.db2.gz KKEJGDVEAZAGDE-UHFFFAOYSA-N -1 3 381.255 2.879 20 30 GFEDHM N#Cc1cccc(NC(=O)COC(=O)c2cccc(Br)c2[O-])c1 ZINC000730365652 655575018 /nfs/dbraw/zinc/57/50/18/655575018.db2.gz WPDAYMJYPZCFLI-UHFFFAOYSA-N -1 3 375.178 2.822 20 30 GFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000773055270 656397706 /nfs/dbraw/zinc/39/77/06/656397706.db2.gz LAABXVHVUCBRMD-NWDGAFQWSA-N -1 3 378.675 2.562 20 30 GFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000774783747 656555541 /nfs/dbraw/zinc/55/55/41/656555541.db2.gz CPSGQKPSPPZYFT-SECBINFHSA-N -1 3 398.706 2.574 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000797458684 659025419 /nfs/dbraw/zinc/02/54/19/659025419.db2.gz VQQOETACSLBEAS-UHFFFAOYSA-N -1 3 377.235 2.569 20 30 GFEDHM C=C(C)CS(=O)(=O)[N-]C[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000797826466 659056827 /nfs/dbraw/zinc/05/68/27/659056827.db2.gz ALNXFPGMKNIWDX-GFCCVEGCSA-N -1 3 391.333 2.951 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810099862 659961689 /nfs/dbraw/zinc/96/16/89/659961689.db2.gz RDUZGHIQDMGXKM-CQSZACIVSA-N -1 3 380.809 2.910 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000848138654 661627155 /nfs/dbraw/zinc/62/71/55/661627155.db2.gz PJUVMDULKJSAJX-JTQLQIEISA-N -1 3 386.633 2.694 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CCOCC1 ZINC000849451082 661727697 /nfs/dbraw/zinc/72/76/97/661727697.db2.gz BSNIFQJOFKNYSS-UHFFFAOYSA-N -1 3 393.914 2.900 20 30 GFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000861827594 662260037 /nfs/dbraw/zinc/26/00/37/662260037.db2.gz JTJBUGMJDOKXIK-QMMMGPOBSA-N -1 3 399.138 2.717 20 30 GFEDHM COCO[C@H](C)c1cc(F)c(C=NN=c2cc[n-]n2C)cc1Br ZINC000863108757 662312145 /nfs/dbraw/zinc/31/21/45/662312145.db2.gz WOSFCJQEMGNIGH-SNVBAGLBSA-N -1 3 385.237 2.871 20 30 GFEDHM CS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000916906726 664474137 /nfs/dbraw/zinc/47/41/37/664474137.db2.gz STXLPOBVJPVJAA-ZDUSSCGKSA-N -1 3 376.821 2.705 20 30 GFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3CCN(CC#N)CC3)s2)cs1 ZINC000151830988 551421871 /nfs/dbraw/zinc/42/18/71/551421871.db2.gz JDFZQECLJRHDRC-UHFFFAOYSA-N -1 3 396.563 2.694 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153240563 551449015 /nfs/dbraw/zinc/44/90/15/551449015.db2.gz BTRHSODJKVHTEZ-DZGCQCFKSA-N -1 3 377.491 2.576 20 30 GFEDHM C=CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCCC)cc2)CC1 ZINC000158892525 551558207 /nfs/dbraw/zinc/55/82/07/551558207.db2.gz FFQNIWHAOOYANP-UHFFFAOYSA-N -1 3 386.539 2.815 20 30 GFEDHM Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Br ZINC000174094970 552098632 /nfs/dbraw/zinc/09/86/32/552098632.db2.gz WTKSZPBFJUNFGK-UHFFFAOYSA-N -1 3 389.253 2.901 20 30 GFEDHM COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180036485 552210411 /nfs/dbraw/zinc/21/04/11/552210411.db2.gz UYHPNZMHLQTNDS-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183525179 552311824 /nfs/dbraw/zinc/31/18/24/552311824.db2.gz MXMZSNONHOPSOM-MRXNPFEDSA-N -1 3 377.897 2.663 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)c1 ZINC000184342319 552332837 /nfs/dbraw/zinc/33/28/37/552332837.db2.gz MKXCZQYJWBBANK-UHFFFAOYSA-N -1 3 378.837 2.851 20 30 GFEDHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185124840 552354573 /nfs/dbraw/zinc/35/45/73/552354573.db2.gz ZLSXWAZMWSNAPL-ZDUSSCGKSA-N -1 3 379.873 2.740 20 30 GFEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193676033 552999798 /nfs/dbraw/zinc/99/97/98/552999798.db2.gz CGPFZEGOMJWUDN-LBPRGKRZSA-N -1 3 377.491 2.855 20 30 GFEDHM N#CCCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000375475815 563406534 /nfs/dbraw/zinc/40/65/34/563406534.db2.gz XPDFCBFABZRUAO-ZDUSSCGKSA-N -1 3 390.292 2.712 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)C2CCC(F)(F)CC2)c1 ZINC000425191563 563409450 /nfs/dbraw/zinc/40/94/50/563409450.db2.gz GUXLEMOGADSRQL-UHFFFAOYSA-N -1 3 376.812 2.885 20 30 GFEDHM COc1ncc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1Br ZINC000425286667 563416815 /nfs/dbraw/zinc/41/68/15/563416815.db2.gz QOIBJIZWRFIPHR-NSHDSACASA-N -1 3 390.241 2.661 20 30 GFEDHM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccc(Cl)c1 ZINC000376273842 563435974 /nfs/dbraw/zinc/43/59/74/563435974.db2.gz MILCHHUKJNUZNA-SUMWQHHRSA-N -1 3 379.869 2.776 20 30 GFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1Cl ZINC000431181754 563555586 /nfs/dbraw/zinc/55/55/86/563555586.db2.gz LCEORQAUOORIDJ-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000333195308 563624103 /nfs/dbraw/zinc/62/41/03/563624103.db2.gz TYJTWIIHSLMJQO-HNNXBMFYSA-N -1 3 399.310 2.948 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000435585798 563653821 /nfs/dbraw/zinc/65/38/21/563653821.db2.gz UZOLNIHSQNPOIL-QMTHXVAHSA-N -1 3 378.263 2.848 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000435585799 563653826 /nfs/dbraw/zinc/65/38/26/563653826.db2.gz UZOLNIHSQNPOIL-YGRLFVJLSA-N -1 3 378.263 2.848 20 30 GFEDHM COc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000442815209 563780751 /nfs/dbraw/zinc/78/07/51/563780751.db2.gz CHEXIGDNCXSCPE-LBPRGKRZSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)c(Cl)c1 ZINC000366317366 563805277 /nfs/dbraw/zinc/80/52/77/563805277.db2.gz WCISGMCLQWVMLZ-UHFFFAOYSA-N -1 3 388.783 2.890 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)s1 ZINC000366647708 563817012 /nfs/dbraw/zinc/81/70/12/563817012.db2.gz IMVZZBRTGLPAQD-LLVKDONJSA-N -1 3 383.445 2.703 20 30 GFEDHM CCN(C[C@H](C)C#N)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000471761162 564203944 /nfs/dbraw/zinc/20/39/44/564203944.db2.gz OCDIGCMGQYGAOR-SNVBAGLBSA-N -1 3 377.388 2.699 20 30 GFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000450997652 564260937 /nfs/dbraw/zinc/26/09/37/564260937.db2.gz JBHUKQMOPDYNKO-JTQLQIEISA-N -1 3 398.653 2.771 20 30 GFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)OCC ZINC000451990818 564376654 /nfs/dbraw/zinc/37/66/54/564376654.db2.gz JZPPIGQCLFPDIN-LBPRGKRZSA-N -1 3 394.262 2.764 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518658965 564559689 /nfs/dbraw/zinc/55/96/89/564559689.db2.gz BJUQWMVQAIORRY-OLZOCXBDSA-N -1 3 378.251 2.550 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccsc2Br)c(F)c1 ZINC000548979801 564583034 /nfs/dbraw/zinc/58/30/34/564583034.db2.gz JSRVBAYXGPYJGM-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CSc2ccc(Br)cc21 ZINC000486830943 564668071 /nfs/dbraw/zinc/66/80/71/564668071.db2.gz CQLTZYZRZCWOPL-GFCCVEGCSA-N -1 3 396.291 2.841 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000555948825 564809769 /nfs/dbraw/zinc/80/97/69/564809769.db2.gz RWFCRYKGIRPYSD-UHFFFAOYSA-N -1 3 381.251 2.678 20 30 GFEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1OC)c1cccc(Cl)c1 ZINC000558096389 564892543 /nfs/dbraw/zinc/89/25/43/564892543.db2.gz SGZDSLVRQHKLSG-OAHLLOKOSA-N -1 3 380.853 2.886 20 30 GFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464421376 564906707 /nfs/dbraw/zinc/90/67/07/564906707.db2.gz QSRPNSJDKGBDBN-CYBMUJFWSA-N -1 3 390.259 2.964 20 30 GFEDHM CCC[C@H](C#N)NC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000536744527 565046842 /nfs/dbraw/zinc/04/68/42/565046842.db2.gz FXQVBALHBICHNH-SNVBAGLBSA-N -1 3 395.200 2.555 20 30 GFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000617039619 565219607 /nfs/dbraw/zinc/21/96/07/565219607.db2.gz JOPVQZQMFNLZNO-NWDGAFQWSA-N -1 3 376.931 2.931 20 30 GFEDHM Cn1cc(C[C@@H]2CCC[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cn1 ZINC000594860062 565431508 /nfs/dbraw/zinc/43/15/08/565431508.db2.gz KILGEBKHEYJYLK-XJKSGUPXSA-N -1 3 378.885 2.635 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CCCCC1 ZINC000594869982 565432578 /nfs/dbraw/zinc/43/25/78/565432578.db2.gz WVVCYGQHQKPRIV-UHFFFAOYSA-N -1 3 381.885 2.977 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000644177956 565462250 /nfs/dbraw/zinc/46/22/50/565462250.db2.gz LPPMFZYZAUEABC-AWEZNQCLSA-N -1 3 376.400 2.696 20 30 GFEDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1(F)F ZINC000595351617 565467395 /nfs/dbraw/zinc/46/73/95/565467395.db2.gz IONFIFXFVBNPHR-NSHDSACASA-N -1 3 379.226 2.890 20 30 GFEDHM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000644276904 565468824 /nfs/dbraw/zinc/46/88/24/565468824.db2.gz XHVMDVXPKUJFGG-CPCISQLKSA-N -1 3 395.296 2.969 20 30 GFEDHM O=S(=O)([N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000644276905 565469076 /nfs/dbraw/zinc/46/90/76/565469076.db2.gz XHVMDVXPKUJFGG-HQJQHLMTSA-N -1 3 395.296 2.969 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N=c1[n-]n(C)cc1Br ZINC000603042242 565882791 /nfs/dbraw/zinc/88/27/91/565882791.db2.gz DHHISMWYQMGTDF-UHFFFAOYSA-N -1 3 376.258 2.919 20 30 GFEDHM N#Cc1ccc(OCC(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610490446 566083486 /nfs/dbraw/zinc/08/34/86/566083486.db2.gz AKJGTWXTSSYNKS-UHFFFAOYSA-N -1 3 394.168 2.886 20 30 GFEDHM C[C@@H](COc1cccc(C#N)c1)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736037413 598884616 /nfs/dbraw/zinc/88/46/16/598884616.db2.gz GTDSIZWPOFRTAR-KBPBESRZSA-N -1 3 393.403 2.516 20 30 GFEDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737191519 598918539 /nfs/dbraw/zinc/91/85/39/598918539.db2.gz OFFHMQTWZZRKCK-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737191519 598918540 /nfs/dbraw/zinc/91/85/40/598918540.db2.gz OFFHMQTWZZRKCK-UHFFFAOYSA-N -1 3 381.377 2.621 20 30 GFEDHM N#Cc1cc(NC(=O)COc2cccc(Br)c2)ccc1-c1nnn[n-]1 ZINC000737708020 598919935 /nfs/dbraw/zinc/91/99/35/598919935.db2.gz CJQSNIVQUKEKRR-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM N#Cc1cc(NC(=O)COc2cccc(Br)c2)ccc1-c1nn[n-]n1 ZINC000737708020 598919937 /nfs/dbraw/zinc/91/99/37/598919937.db2.gz CJQSNIVQUKEKRR-UHFFFAOYSA-N -1 3 399.208 2.518 20 30 GFEDHM C=C(COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(=O)OCC ZINC000735402160 598921254 /nfs/dbraw/zinc/92/12/54/598921254.db2.gz KLHNCWCPXXLDBV-UHFFFAOYSA-N -1 3 395.419 2.550 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccccc2Br)ccc1-c1nnn[n-]1 ZINC000737707757 598925688 /nfs/dbraw/zinc/92/56/88/598925688.db2.gz BMZYEYFNWBMVHQ-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccccc2Br)ccc1-c1nn[n-]n1 ZINC000737707757 598925690 /nfs/dbraw/zinc/92/56/90/598925690.db2.gz BMZYEYFNWBMVHQ-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccn(-c3ccccc3Cl)n2)ccc1-c1nnn[n-]1 ZINC000737708325 598926867 /nfs/dbraw/zinc/92/68/67/598926867.db2.gz DYZNIQCEVBNUKL-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1cc(NC(=O)c2ccn(-c3ccccc3Cl)n2)ccc1-c1nn[n-]n1 ZINC000737708325 598926868 /nfs/dbraw/zinc/92/68/68/598926868.db2.gz DYZNIQCEVBNUKL-UHFFFAOYSA-N -1 3 390.794 2.830 20 30 GFEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737727291 598928406 /nfs/dbraw/zinc/92/84/06/598928406.db2.gz IQGQBXHHWQPLDF-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737727291 598928407 /nfs/dbraw/zinc/92/84/07/598928407.db2.gz IQGQBXHHWQPLDF-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM COc1cc(C#N)ccc1OCCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000737033898 598938652 /nfs/dbraw/zinc/93/86/52/598938652.db2.gz AYBJRNMXLJUTFG-UHFFFAOYSA-N -1 3 382.449 2.930 20 30 GFEDHM COc1cc(C#N)ccc1OCCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000737033898 598938654 /nfs/dbraw/zinc/93/86/54/598938654.db2.gz AYBJRNMXLJUTFG-UHFFFAOYSA-N -1 3 382.449 2.930 20 30 GFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCOc1ccc(C#N)cc1 ZINC000822204233 599048725 /nfs/dbraw/zinc/04/87/25/599048725.db2.gz JAKCTVSGUNPKDO-UHFFFAOYSA-N -1 3 389.394 2.647 20 30 GFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCOc1ccc(C#N)cc1 ZINC000822204233 599048727 /nfs/dbraw/zinc/04/87/27/599048727.db2.gz JAKCTVSGUNPKDO-UHFFFAOYSA-N -1 3 389.394 2.647 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000735381613 599074664 /nfs/dbraw/zinc/07/46/64/599074664.db2.gz WRWZMNQZLPFXTP-UHFFFAOYSA-N -1 3 385.330 2.732 20 30 GFEDHM C#CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000735381613 599074666 /nfs/dbraw/zinc/07/46/66/599074666.db2.gz WRWZMNQZLPFXTP-UHFFFAOYSA-N -1 3 385.330 2.732 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OCC#N ZINC000821712611 599113137 /nfs/dbraw/zinc/11/31/37/599113137.db2.gz JJGHQYXWMZLFOE-XNTDXEJSSA-N -1 3 387.399 2.990 20 30 GFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1OCC#N ZINC000821712611 599113138 /nfs/dbraw/zinc/11/31/38/599113138.db2.gz JJGHQYXWMZLFOE-XNTDXEJSSA-N -1 3 387.399 2.990 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737703948 599158794 /nfs/dbraw/zinc/15/87/94/599158794.db2.gz CPFSUHFOFWGDHZ-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737703948 599158797 /nfs/dbraw/zinc/15/87/97/599158797.db2.gz CPFSUHFOFWGDHZ-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1ccc(N2CC[C@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000737717360 599174593 /nfs/dbraw/zinc/17/45/93/599174593.db2.gz CMAKWPMQKKMFCQ-INIZCTEOSA-N -1 3 380.408 2.775 20 30 GFEDHM N#Cc1ccc(N2CC[C@H](Sc3ccc(-c4nn[n-]n4)cc3F)C2=O)cc1 ZINC000737717360 599174596 /nfs/dbraw/zinc/17/45/96/599174596.db2.gz CMAKWPMQKKMFCQ-INIZCTEOSA-N -1 3 380.408 2.775 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735420017 599184051 /nfs/dbraw/zinc/18/40/51/599184051.db2.gz LUMZNLRJBWPTST-UHFFFAOYSA-N -1 3 378.392 2.532 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735420017 599184053 /nfs/dbraw/zinc/18/40/53/599184053.db2.gz LUMZNLRJBWPTST-UHFFFAOYSA-N -1 3 378.392 2.532 20 30 GFEDHM C=CCc1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(OC)c1 ZINC000819758625 607267464 /nfs/dbraw/zinc/26/74/64/607267464.db2.gz CBZPJRQOROHZDR-UHFFFAOYSA-N -1 3 379.420 2.930 20 30 GFEDHM C=CCc1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(OC)c1 ZINC000819758625 607267465 /nfs/dbraw/zinc/26/74/65/607267465.db2.gz CBZPJRQOROHZDR-UHFFFAOYSA-N -1 3 379.420 2.930 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819701299 599260815 /nfs/dbraw/zinc/26/08/15/599260815.db2.gz BRRUUHISERQKHR-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819701299 599260817 /nfs/dbraw/zinc/26/08/17/599260817.db2.gz BRRUUHISERQKHR-GFCCVEGCSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819709887 599285519 /nfs/dbraw/zinc/28/55/19/599285519.db2.gz SPLBOXNBNSPRIM-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819709887 599285521 /nfs/dbraw/zinc/28/55/21/599285521.db2.gz SPLBOXNBNSPRIM-LBPRGKRZSA-N -1 3 380.383 2.901 20 30 GFEDHM N#Cc1cccc(NC(=O)C2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC000737730580 598243316 /nfs/dbraw/zinc/24/33/16/598243316.db2.gz NCXHUUWXETUKNK-UHFFFAOYSA-N -1 3 391.410 2.733 20 30 GFEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823397298 607352022 /nfs/dbraw/zinc/35/20/22/607352022.db2.gz VAPRRTDREHLQOR-UHFFFAOYSA-N -1 3 388.305 2.974 20 30 GFEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823397298 607352023 /nfs/dbraw/zinc/35/20/23/607352023.db2.gz VAPRRTDREHLQOR-UHFFFAOYSA-N -1 3 388.305 2.974 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735387950 598417700 /nfs/dbraw/zinc/41/77/00/598417700.db2.gz MCVSTINTOLRLHL-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1csc(CC)n1 ZINC000735418534 598482894 /nfs/dbraw/zinc/48/28/94/598482894.db2.gz GKNFRHVDZMDJQG-UHFFFAOYSA-N -1 3 383.481 2.783 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1csc(CC)n1 ZINC000735418534 598482895 /nfs/dbraw/zinc/48/28/95/598482895.db2.gz GKNFRHVDZMDJQG-UHFFFAOYSA-N -1 3 383.481 2.783 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1ccccc1C#N ZINC000737032644 598573424 /nfs/dbraw/zinc/57/34/24/598573424.db2.gz JGNPHAMHOIUDQC-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1ccccc1C#N ZINC000737032644 598573425 /nfs/dbraw/zinc/57/34/25/598573425.db2.gz JGNPHAMHOIUDQC-UHFFFAOYSA-N -1 3 378.392 2.545 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1[N+](=O)[O-] ZINC000737080422 598639307 /nfs/dbraw/zinc/63/93/07/598639307.db2.gz AHOQPTJURHJBDK-FNORWQNLSA-N -1 3 394.391 2.736 20 30 GFEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1[N+](=O)[O-] ZINC000737080422 598639309 /nfs/dbraw/zinc/63/93/09/598639309.db2.gz AHOQPTJURHJBDK-FNORWQNLSA-N -1 3 394.391 2.736 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OCCOC)cc1 ZINC000735420018 598655741 /nfs/dbraw/zinc/65/57/41/598655741.db2.gz LWEZTVFQIBHXMW-UHFFFAOYSA-N -1 3 393.447 2.720 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OCCOC)cc1 ZINC000735420018 598655743 /nfs/dbraw/zinc/65/57/43/598655743.db2.gz LWEZTVFQIBHXMW-UHFFFAOYSA-N -1 3 393.447 2.720 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)cn1 ZINC000735389426 598735686 /nfs/dbraw/zinc/73/56/86/598735686.db2.gz BNKOMZQNXCZEFC-UHFFFAOYSA-N -1 3 383.371 2.683 20 30 GFEDHM C#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)cn1 ZINC000735389426 598735687 /nfs/dbraw/zinc/73/56/87/598735687.db2.gz BNKOMZQNXCZEFC-UHFFFAOYSA-N -1 3 383.371 2.683 20 30 GFEDHM N#Cc1cnc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(Cl)c1 ZINC000737729023 598756225 /nfs/dbraw/zinc/75/62/25/598756225.db2.gz YZCWJTHDOKXDCA-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)c2c1 ZINC000737116642 599463188 /nfs/dbraw/zinc/46/31/88/599463188.db2.gz VMWXTLGGJZKEOC-UTCJRWHESA-N -1 3 385.387 2.900 20 30 GFEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)c2c1 ZINC000737116642 599463190 /nfs/dbraw/zinc/46/31/90/599463190.db2.gz VMWXTLGGJZKEOC-UTCJRWHESA-N -1 3 385.387 2.900 20 30 GFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(OCC#N)cc1 ZINC000822204125 599521889 /nfs/dbraw/zinc/52/18/89/599521889.db2.gz FKEXPUAHZLZZDD-UHFFFAOYSA-N -1 3 389.394 2.799 20 30 GFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(OCC#N)cc1 ZINC000822204125 599521891 /nfs/dbraw/zinc/52/18/91/599521891.db2.gz FKEXPUAHZLZZDD-UHFFFAOYSA-N -1 3 389.394 2.799 20 30 GFEDHM N#CCC1(COC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000822806866 599626339 /nfs/dbraw/zinc/62/63/39/599626339.db2.gz UOVAKCQBLGTAPS-UHFFFAOYSA-N -1 3 379.376 2.889 20 30 GFEDHM N#CCC1(COC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1 ZINC000822806866 599626340 /nfs/dbraw/zinc/62/63/40/599626340.db2.gz UOVAKCQBLGTAPS-UHFFFAOYSA-N -1 3 379.376 2.889 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2cc(Cl)ccc2[N+](=O)[O-])nc1N ZINC000822819231 599694446 /nfs/dbraw/zinc/69/44/46/599694446.db2.gz NDMBKCKTYBCYSS-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2cc(Cl)ccc2[N+](=O)[O-])nc1N ZINC000822819231 599694447 /nfs/dbraw/zinc/69/44/47/599694447.db2.gz NDMBKCKTYBCYSS-UHFFFAOYSA-N -1 3 388.800 2.569 20 30 GFEDHM N#Cc1cccc(C2(NC(=O)CSCc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386859 607427448 /nfs/dbraw/zinc/42/74/48/607427448.db2.gz VNUQWYLYSOOSOA-UHFFFAOYSA-N -1 3 390.472 2.777 20 30 GFEDHM N#Cc1cccc(C2(NC(=O)CSCc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386859 607427449 /nfs/dbraw/zinc/42/74/49/607427449.db2.gz VNUQWYLYSOOSOA-UHFFFAOYSA-N -1 3 390.472 2.777 20 30 GFEDHM C#CCN1CCC(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CC1 ZINC000736080899 600597615 /nfs/dbraw/zinc/59/76/15/600597615.db2.gz ZVKQDZPWXYBGNO-HXUWFJFHSA-N -1 3 378.472 2.545 20 30 GFEDHM CN=c1scc(-c2oc(C)nc2C)n1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821630373 607461197 /nfs/dbraw/zinc/46/11/97/607461197.db2.gz WAYPXVDTQJVUOP-UHFFFAOYSA-N -1 3 398.427 2.553 20 30 GFEDHM CN=c1scc(-c2oc(C)nc2C)n1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821630373 607461198 /nfs/dbraw/zinc/46/11/98/607461198.db2.gz WAYPXVDTQJVUOP-UHFFFAOYSA-N -1 3 398.427 2.553 20 30 GFEDHM O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2nnn[n-]2)cc1F)CCCC3 ZINC000823665381 607462609 /nfs/dbraw/zinc/46/26/09/607462609.db2.gz IPZPOBINUUGFLY-UHFFFAOYSA-N -1 3 395.423 2.538 20 30 GFEDHM O=c1c2c3c(sc2ncn1N=Cc1ccc(-c2nn[n-]n2)cc1F)CCCC3 ZINC000823665381 607462611 /nfs/dbraw/zinc/46/26/11/607462611.db2.gz IPZPOBINUUGFLY-UHFFFAOYSA-N -1 3 395.423 2.538 20 30 GFEDHM N#Cc1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC000833071303 601731330 /nfs/dbraw/zinc/73/13/30/601731330.db2.gz DWDVXDDHKFADBS-QHCPKHFHSA-N -1 3 391.471 2.726 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(OC)c(-c3nnn[n-]3)c2)n1 ZINC000825559882 607541426 /nfs/dbraw/zinc/54/14/26/607541426.db2.gz KUKPSXFOGHJEAS-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM CCOC(=O)c1ccc(C#N)c(SCc2ccc(OC)c(-c3nn[n-]n3)c2)n1 ZINC000825559882 607541427 /nfs/dbraw/zinc/54/14/27/607541427.db2.gz KUKPSXFOGHJEAS-UHFFFAOYSA-N -1 3 396.432 2.611 20 30 GFEDHM CN(C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739637692 602379772 /nfs/dbraw/zinc/37/97/72/602379772.db2.gz QSPXCYHKJZIDEF-KBPBESRZSA-N -1 3 386.477 2.794 20 30 GFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826383872 607572508 /nfs/dbraw/zinc/57/25/08/607572508.db2.gz VLEJPRRRBDSHQL-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826383872 607572509 /nfs/dbraw/zinc/57/25/09/607572509.db2.gz VLEJPRRRBDSHQL-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1ccncc1 ZINC000823888615 607616089 /nfs/dbraw/zinc/61/60/89/607616089.db2.gz RTZFFBQCONINLU-CQSZACIVSA-N -1 3 390.856 2.511 20 30 GFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000825642211 604910137 /nfs/dbraw/zinc/91/01/37/604910137.db2.gz KRDBDAOYSRQBDJ-UHFFFAOYSA-N -1 3 381.860 2.965 20 30 GFEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000822801785 606072974 /nfs/dbraw/zinc/07/29/74/606072974.db2.gz ONMRCXUXFGEKJZ-FQEVSTJZSA-N -1 3 398.474 2.502 20 30 GFEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000822801785 606072979 /nfs/dbraw/zinc/07/29/79/606072979.db2.gz ONMRCXUXFGEKJZ-FQEVSTJZSA-N -1 3 398.474 2.502 20 30 GFEDHM N#Cc1cc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1Cl ZINC000822823374 606243938 /nfs/dbraw/zinc/24/39/38/606243938.db2.gz OYJDLSJNABUFRD-INIZCTEOSA-N -1 3 379.811 2.609 20 30 GFEDHM N#Cc1cc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1Cl ZINC000822823374 606243940 /nfs/dbraw/zinc/24/39/40/606243940.db2.gz OYJDLSJNABUFRD-INIZCTEOSA-N -1 3 379.811 2.609 20 30 GFEDHM CCOC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)o1 ZINC000821343475 606339176 /nfs/dbraw/zinc/33/91/76/606339176.db2.gz OCDBAKBVKXYYAM-SOFGYWHQSA-N -1 3 381.392 2.589 20 30 GFEDHM CCOC(=O)c1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)o1 ZINC000821343475 606339177 /nfs/dbraw/zinc/33/91/77/606339177.db2.gz OCDBAKBVKXYYAM-SOFGYWHQSA-N -1 3 381.392 2.589 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822833594 606339863 /nfs/dbraw/zinc/33/98/63/606339863.db2.gz SHZFWCVEJWZWGP-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822833594 606339865 /nfs/dbraw/zinc/33/98/65/606339865.db2.gz SHZFWCVEJWZWGP-UHFFFAOYSA-N -1 3 395.322 2.525 20 30 GFEDHM N#CCCN(Cc1ccccn1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822810418 606502806 /nfs/dbraw/zinc/50/28/06/606502806.db2.gz IISOOVNBTQCGTC-UHFFFAOYSA-N -1 3 385.378 2.779 20 30 GFEDHM N#CCCN(Cc1ccccn1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822810418 606502807 /nfs/dbraw/zinc/50/28/07/606502807.db2.gz IISOOVNBTQCGTC-UHFFFAOYSA-N -1 3 385.378 2.779 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000822486245 606517043 /nfs/dbraw/zinc/51/70/43/606517043.db2.gz CQWHHMNDRHYDHC-UHFFFAOYSA-N -1 3 390.432 2.855 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000822486245 606517044 /nfs/dbraw/zinc/51/70/44/606517044.db2.gz CQWHHMNDRHYDHC-UHFFFAOYSA-N -1 3 390.432 2.855 20 30 GFEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc(Cl)cc1 ZINC000822846263 606596061 /nfs/dbraw/zinc/59/60/61/606596061.db2.gz SKRPJDSWXXSMGP-UHFFFAOYSA-N -1 3 394.769 2.959 20 30 GFEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc(Cl)cc1 ZINC000822846263 606596062 /nfs/dbraw/zinc/59/60/62/606596062.db2.gz SKRPJDSWXXSMGP-UHFFFAOYSA-N -1 3 394.769 2.959 20 30 GFEDHM CCN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149327 606775112 /nfs/dbraw/zinc/77/51/12/606775112.db2.gz VLAONQYQFWZDQH-CQSZACIVSA-N -1 3 389.415 2.557 20 30 GFEDHM CCN(C(=O)C#Cc1ccc2c(c1)OCO2)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149327 606775113 /nfs/dbraw/zinc/77/51/13/606775113.db2.gz VLAONQYQFWZDQH-CQSZACIVSA-N -1 3 389.415 2.557 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cc1Cl ZINC000822832450 606793699 /nfs/dbraw/zinc/79/36/99/606793699.db2.gz AWBSNOSPTNDAAR-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cc1Cl ZINC000822832450 606793700 /nfs/dbraw/zinc/79/37/00/606793700.db2.gz AWBSNOSPTNDAAR-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821641303 606933148 /nfs/dbraw/zinc/93/31/48/606933148.db2.gz ZSHVOPDTJZRYMA-RUNBWSAHSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821641303 606933149 /nfs/dbraw/zinc/93/31/49/606933149.db2.gz ZSHVOPDTJZRYMA-RUNBWSAHSA-N -1 3 378.388 2.703 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819745382 607180286 /nfs/dbraw/zinc/18/02/86/607180286.db2.gz AHURISPHYIGPKF-UHFFFAOYSA-N -1 3 396.838 2.673 20 30 GFEDHM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819745382 607180287 /nfs/dbraw/zinc/18/02/87/607180287.db2.gz AHURISPHYIGPKF-UHFFFAOYSA-N -1 3 396.838 2.673 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000819743858 607215740 /nfs/dbraw/zinc/21/57/40/607215740.db2.gz RHYGSDAQXMVBST-QGZVFWFLSA-N -1 3 382.468 2.666 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000819743858 607215741 /nfs/dbraw/zinc/21/57/41/607215741.db2.gz RHYGSDAQXMVBST-QGZVFWFLSA-N -1 3 382.468 2.666 20 30 GFEDHM N#Cc1ccc(SC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826385862 607843175 /nfs/dbraw/zinc/84/31/75/607843175.db2.gz FKWFOBNLEKNAJL-CYBMUJFWSA-N -1 3 387.852 2.924 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825271710 607859877 /nfs/dbraw/zinc/85/98/77/607859877.db2.gz MPVGHSVURIJROR-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM CCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825271710 607859878 /nfs/dbraw/zinc/85/98/78/607859878.db2.gz MPVGHSVURIJROR-UHFFFAOYSA-N -1 3 378.864 2.935 20 30 GFEDHM N#Cc1cc(Br)ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826383751 607874284 /nfs/dbraw/zinc/87/42/84/607874284.db2.gz OIYVVJMXVFEBCM-CQSZACIVSA-N -1 3 386.209 2.613 20 30 GFEDHM N#Cc1cc(Br)ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826383751 607874285 /nfs/dbraw/zinc/87/42/85/607874285.db2.gz OIYVVJMXVFEBCM-CQSZACIVSA-N -1 3 386.209 2.613 20 30 GFEDHM C=C(C)[C@@H](CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)OCC ZINC000823872782 607893666 /nfs/dbraw/zinc/89/36/66/607893666.db2.gz DJPIPIWQIGDSNX-GOSISDBHSA-N -1 3 385.468 2.608 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc(COC)nc1C ZINC000823914670 607979341 /nfs/dbraw/zinc/97/93/41/607979341.db2.gz LOBBHYUQYRHNKA-UHFFFAOYSA-N -1 3 384.465 2.606 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc(COC)nc1C ZINC000823914670 607979342 /nfs/dbraw/zinc/97/93/42/607979342.db2.gz LOBBHYUQYRHNKA-UHFFFAOYSA-N -1 3 384.465 2.606 20 30 GFEDHM N#Cc1cccc(OCCCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826387431 608071870 /nfs/dbraw/zinc/07/18/70/608071870.db2.gz VCGDLZKEPPCRBE-HXUWFJFHSA-N -1 3 390.447 2.581 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825788628 608177335 /nfs/dbraw/zinc/17/73/35/608177335.db2.gz SQEJJQQLZVWLGJ-NTMALXAHSA-N -1 3 384.403 2.760 20 30 GFEDHM CCn1c2ccc(C#N)cc2nc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825788628 608177337 /nfs/dbraw/zinc/17/73/37/608177337.db2.gz SQEJJQQLZVWLGJ-NTMALXAHSA-N -1 3 384.403 2.760 20 30 GFEDHM N#C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2n1C(F)F ZINC000826379117 608387076 /nfs/dbraw/zinc/38/70/76/608387076.db2.gz JIEPWNAXLODFIK-LBPRGKRZSA-N -1 3 394.345 2.857 20 30 GFEDHM N#C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2n1C(F)F ZINC000826379117 608387078 /nfs/dbraw/zinc/38/70/78/608387078.db2.gz JIEPWNAXLODFIK-LBPRGKRZSA-N -1 3 394.345 2.857 20 30 GFEDHM COc1ccc(O)c(C=NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826210470 608526605 /nfs/dbraw/zinc/52/66/05/608526605.db2.gz SRDQNWFSXJTLGJ-CIAFOILYSA-N -1 3 394.435 2.785 20 30 GFEDHM COc1ccc(O)c(C=NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826210470 608526606 /nfs/dbraw/zinc/52/66/06/608526606.db2.gz SRDQNWFSXJTLGJ-CIAFOILYSA-N -1 3 394.435 2.785 20 30 GFEDHM CN(C)c1nc(Cl)c(C=[NH+][N-]c2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000825884277 608536049 /nfs/dbraw/zinc/53/60/49/608536049.db2.gz XPWQQQDXBFVTEQ-UHFFFAOYSA-N -1 3 384.256 2.537 20 30 GFEDHM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2cnc(-c3ccccc3)nc2)n1 ZINC000826350277 608540941 /nfs/dbraw/zinc/54/09/41/608540941.db2.gz PBPZRGBMDOMFGO-UHFFFAOYSA-N -1 3 377.799 2.818 20 30 GFEDHM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826498526 608541402 /nfs/dbraw/zinc/54/14/02/608541402.db2.gz ZDQCTKSDBZICJZ-UHFFFAOYSA-N -1 3 379.167 2.923 20 30 GFEDHM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826498526 608541403 /nfs/dbraw/zinc/54/14/03/608541403.db2.gz ZDQCTKSDBZICJZ-UHFFFAOYSA-N -1 3 379.167 2.923 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1C#N ZINC000826234326 609168235 /nfs/dbraw/zinc/16/82/35/609168235.db2.gz QTFYVWWJNPBXDP-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1C#N ZINC000826234326 609168236 /nfs/dbraw/zinc/16/82/36/609168236.db2.gz QTFYVWWJNPBXDP-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM CCNc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825480778 609179009 /nfs/dbraw/zinc/17/90/09/609179009.db2.gz KDESBGVRKZRBLH-UHFFFAOYSA-N -1 3 387.407 2.832 20 30 GFEDHM CCNc1ccc(C#N)cc1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825480778 609179011 /nfs/dbraw/zinc/17/90/11/609179011.db2.gz KDESBGVRKZRBLH-UHFFFAOYSA-N -1 3 387.407 2.832 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400819 609274772 /nfs/dbraw/zinc/27/47/72/609274772.db2.gz JDPLRQCFVXBTQA-FPYGCLRLSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400819 609274773 /nfs/dbraw/zinc/27/47/73/609274773.db2.gz JDPLRQCFVXBTQA-FPYGCLRLSA-N -1 3 379.395 2.739 20 30 GFEDHM NC(=NOCc1ccc(-c2nnn[n-]2)cc1Br)c1ccc(F)cc1 ZINC000826388220 609326775 /nfs/dbraw/zinc/32/67/75/609326775.db2.gz NNFBXYRRYJXQAB-UHFFFAOYSA-N -1 3 391.204 2.605 20 30 GFEDHM NC(=NOCc1ccc(-c2nn[n-]n2)cc1Br)c1ccc(F)cc1 ZINC000826388220 609326776 /nfs/dbraw/zinc/32/67/76/609326776.db2.gz NNFBXYRRYJXQAB-UHFFFAOYSA-N -1 3 391.204 2.605 20 30 GFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824100257 609594639 /nfs/dbraw/zinc/59/46/39/609594639.db2.gz OUIVVFUFUNTQIX-QGZVFWFLSA-N -1 3 390.831 2.720 20 30 GFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824100257 609594641 /nfs/dbraw/zinc/59/46/41/609594641.db2.gz OUIVVFUFUNTQIX-QGZVFWFLSA-N -1 3 390.831 2.720 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(CCC)cs2)ccc1F ZINC000127387636 654828458 /nfs/dbraw/zinc/82/84/58/654828458.db2.gz OGKFOFGCWDGFKH-UHFFFAOYSA-N -1 3 383.470 2.951 20 30 GFEDHM N#CC1(NC(=O)COC(=O)c2cc(Br)c(F)cc2[O-])CCCCC1 ZINC000837780666 661015591 /nfs/dbraw/zinc/01/55/91/661015591.db2.gz PQBSZTDFVIEKMW-UHFFFAOYSA-N -1 3 399.216 2.793 20 30 GFEDHM CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1(C#N)CCC1 ZINC000063658566 654855822 /nfs/dbraw/zinc/85/58/22/654855822.db2.gz GMXCBRKQTVQJFW-UHFFFAOYSA-N -1 3 390.292 2.566 20 30 GFEDHM COC(=O)[C@](C)([N-]S(=O)(=O)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000274642321 655195211 /nfs/dbraw/zinc/19/52/11/655195211.db2.gz BJNLZKOOWWECBK-OAHLLOKOSA-N -1 3 393.292 2.995 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](SC)C2)ccc1F ZINC000117214184 655261166 /nfs/dbraw/zinc/26/11/66/655261166.db2.gz GBIMGVLEVJYKRE-KBPBESRZSA-N -1 3 386.514 2.694 20 30 GFEDHM C=CCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000264305115 655460510 /nfs/dbraw/zinc/46/05/10/655460510.db2.gz RYDVJIBUTUSZEO-SNVBAGLBSA-N -1 3 380.388 2.997 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(CC)C(F)(F)F)ccc1F ZINC000742203431 655712126 /nfs/dbraw/zinc/71/21/26/655712126.db2.gz JXMMDIYZLSTAFK-CQSZACIVSA-N -1 3 382.379 2.751 20 30 GFEDHM O=[N+]([O-])c1cc(Br)ccc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000767778717 656219400 /nfs/dbraw/zinc/21/94/00/656219400.db2.gz CPCOIXPFPIYADX-UHFFFAOYSA-N -1 3 398.238 2.811 20 30 GFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnc2n[nH]nc2c1 ZINC000783076933 657205952 /nfs/dbraw/zinc/20/59/52/657205952.db2.gz NHLVUTXNSNNNMD-SECBINFHSA-N -1 3 375.175 2.621 20 30 GFEDHM Cc1c(Br)c(C)n([N-]C(=O)c2ccnc(Cl)c2)c(=O)c1C#N ZINC000791171680 658064668 /nfs/dbraw/zinc/06/46/68/658064668.db2.gz WYWYNCZZANLDHO-UHFFFAOYSA-N -1 3 381.617 2.532 20 30 GFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000797842101 659059062 /nfs/dbraw/zinc/05/90/62/659059062.db2.gz VEIQBOPZFSGCBS-ZYHUDNBSSA-N -1 3 393.914 2.756 20 30 GFEDHM Cn1ncc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c1Br ZINC000866997108 662515430 /nfs/dbraw/zinc/51/54/30/662515430.db2.gz HBEWSAIZWWIHOD-GFCCVEGCSA-N -1 3 383.271 2.506 20 30 GFEDHM Cc1cc(Br)c(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Cl ZINC000879200101 662920319 /nfs/dbraw/zinc/92/03/19/662920319.db2.gz FYLHZZMTVKDMCZ-JTQLQIEISA-N -1 3 376.638 2.913 20 30 GFEDHM CS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1 ZINC000916906724 664474095 /nfs/dbraw/zinc/47/40/95/664474095.db2.gz STXLPOBVJPVJAA-CYBMUJFWSA-N -1 3 376.821 2.705 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)s1 ZINC000435430111 563650296 /nfs/dbraw/zinc/65/02/96/563650296.db2.gz YEEQNABTDCQNAK-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ncccc1[O-] ZINC000031218611 551129156 /nfs/dbraw/zinc/12/91/56/551129156.db2.gz WBOKYSADKPLUER-UHFFFAOYSA-N -1 3 392.209 2.838 20 30 GFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)n1 ZINC000041518873 551135860 /nfs/dbraw/zinc/13/58/60/551135860.db2.gz NLUWHDKKBDZNJO-RISCZKNCSA-N -1 3 375.475 2.652 20 30 GFEDHM COc1cc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c(OC)cc1Br ZINC000153506844 551454404 /nfs/dbraw/zinc/45/44/04/551454404.db2.gz RUHIIGIWNJXKSP-CYBMUJFWSA-N -1 3 391.287 2.683 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000156640747 551526610 /nfs/dbraw/zinc/52/66/10/551526610.db2.gz DXECHJCMRMTAGU-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C2 ZINC000157188095 551534324 /nfs/dbraw/zinc/53/43/24/551534324.db2.gz BEPFXZXXVUZSOJ-GFCCVEGCSA-N -1 3 378.837 2.502 20 30 GFEDHM COc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000178528706 552172075 /nfs/dbraw/zinc/17/20/75/552172075.db2.gz BJIZVKOPLNSSFT-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)cc1Cl ZINC000180789733 552236134 /nfs/dbraw/zinc/23/61/34/552236134.db2.gz MHUNHIMNXMGLBN-UHFFFAOYSA-N -1 3 395.231 2.642 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1cccc(C#N)c1 ZINC000183006275 552298449 /nfs/dbraw/zinc/29/84/49/552298449.db2.gz GWRNYSPIDHPCLL-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000183455866 552309743 /nfs/dbraw/zinc/30/97/43/552309743.db2.gz WIYLQPNVIIGJEK-UHFFFAOYSA-N -1 3 378.837 2.519 20 30 GFEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC000183506809 552311834 /nfs/dbraw/zinc/31/18/34/552311834.db2.gz BCXBRVFAUHDTBF-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1I ZINC000232213972 553066315 /nfs/dbraw/zinc/06/63/15/553066315.db2.gz CMYQXBIVTMJGMM-QMMMGPOBSA-N -1 3 384.626 2.988 20 30 GFEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccccc1 ZINC000248473988 553130339 /nfs/dbraw/zinc/13/03/39/553130339.db2.gz LOEJMAAITIBKHQ-SJLPKXTDSA-N -1 3 375.881 2.935 20 30 GFEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000278633951 563264335 /nfs/dbraw/zinc/26/43/35/563264335.db2.gz CYWIYYOMCAJUPW-ZETCQYMHSA-N -1 3 387.284 2.520 20 30 GFEDHM N#CCCC[C@H](N)C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000424111107 563371014 /nfs/dbraw/zinc/37/10/14/563371014.db2.gz FPPILBAHHNJZDO-LBPRGKRZSA-N -1 3 396.676 2.874 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1nc2cc(Cl)ccc2s1 ZINC000428240170 563486035 /nfs/dbraw/zinc/48/60/35/563486035.db2.gz RBNSBEPWIQUJID-UHFFFAOYSA-N -1 3 378.866 2.737 20 30 GFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000428411576 563490670 /nfs/dbraw/zinc/49/06/70/563490670.db2.gz FPGZWNYNFRDJQM-LLVKDONJSA-N -1 3 397.287 2.817 20 30 GFEDHM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000330595955 563512849 /nfs/dbraw/zinc/51/28/49/563512849.db2.gz RHHKOGRJIPIKBL-JTQLQIEISA-N -1 3 381.269 2.844 20 30 GFEDHM C=CCC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000432273003 563578724 /nfs/dbraw/zinc/57/87/24/563578724.db2.gz ZBJPVSWMVGFJGE-UHFFFAOYSA-N -1 3 392.518 2.858 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000435433064 563650505 /nfs/dbraw/zinc/65/05/05/563650505.db2.gz MDGZQNVTWFNDKV-UHFFFAOYSA-N -1 3 383.882 2.970 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)s1 ZINC000435440028 563651346 /nfs/dbraw/zinc/65/13/46/563651346.db2.gz YSZSLIYWJFTZLE-SNVBAGLBSA-N -1 3 385.873 2.969 20 30 GFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000412838158 563671364 /nfs/dbraw/zinc/67/13/64/563671364.db2.gz JGHSSSXGOWSESF-ZBFHGGJFSA-N -1 3 378.519 2.719 20 30 GFEDHM C=CCCCN(C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000438346099 563704475 /nfs/dbraw/zinc/70/44/75/563704475.db2.gz BNTUXDQGFRBBLM-UHFFFAOYSA-N -1 3 379.404 2.957 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)c1 ZINC000443222107 563795779 /nfs/dbraw/zinc/79/57/79/563795779.db2.gz DMMACISKOUWCDY-UHFFFAOYSA-N -1 3 387.795 2.729 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)c(Cl)c1 ZINC000443223831 563796659 /nfs/dbraw/zinc/79/66/59/563796659.db2.gz GZZYGYZOWSJHQS-UHFFFAOYSA-N -1 3 387.795 2.729 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000416481805 563835846 /nfs/dbraw/zinc/83/58/46/563835846.db2.gz WBHGKVGLAHCLAN-GHMZBOCLSA-N -1 3 395.225 2.759 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)[C@@H](O)C(F)(F)F ZINC000447868798 563889032 /nfs/dbraw/zinc/88/90/32/563889032.db2.gz MZXOQCZVJFHDQD-NXEZZACHSA-N -1 3 383.285 2.825 20 30 GFEDHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000564567536 564239989 /nfs/dbraw/zinc/23/99/89/564239989.db2.gz LFBWUBDBXLHNAJ-LBPRGKRZSA-N -1 3 378.372 2.709 20 30 GFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000508098130 564253905 /nfs/dbraw/zinc/25/39/05/564253905.db2.gz AYRRCSRIEPCDEX-LBPRGKRZSA-N -1 3 397.400 2.927 20 30 GFEDHM C=CCCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474368513 564276263 /nfs/dbraw/zinc/27/62/63/564276263.db2.gz GZLAYHOQRZAWLM-ZDUSSCGKSA-N -1 3 377.293 2.984 20 30 GFEDHM O=C(CC(=O)NCC(F)(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000541462263 564279902 /nfs/dbraw/zinc/27/99/02/564279902.db2.gz ZIHMPRCSLMUSFY-LLVKDONJSA-N -1 3 378.219 2.753 20 30 GFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000452030712 564385076 /nfs/dbraw/zinc/38/50/76/564385076.db2.gz OMWMSVKLPXJAID-CYBMUJFWSA-N -1 3 385.283 2.603 20 30 GFEDHM C=CC[C@@H](CC)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000545986961 564439477 /nfs/dbraw/zinc/43/94/77/564439477.db2.gz XSTTXYZFTFGUNJ-HIFRSBDPSA-N -1 3 388.530 2.697 20 30 GFEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)c(F)c1 ZINC000516799188 564512358 /nfs/dbraw/zinc/51/23/58/564512358.db2.gz MSETUTFMMVFHFN-ZDUSSCGKSA-N -1 3 386.788 2.526 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000570666674 564516421 /nfs/dbraw/zinc/51/64/21/564516421.db2.gz NZVNYFIHSGVLSS-OCCSQVGLSA-N -1 3 380.217 2.930 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000571603245 564557812 /nfs/dbraw/zinc/55/78/12/564557812.db2.gz GDMWBOJDQFWVJV-YJBOKZPZSA-N -1 3 376.865 2.656 20 30 GFEDHM COCc1cccc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000553449913 564721146 /nfs/dbraw/zinc/72/11/46/564721146.db2.gz DVOSWEJVPSILLV-UHFFFAOYSA-N -1 3 395.278 2.946 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000580523322 564762341 /nfs/dbraw/zinc/76/23/41/564762341.db2.gz KWKUDHHCWAYLJU-GDBMZVCRSA-N -1 3 377.853 2.805 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H]1OCCc2sccc21 ZINC000490548301 564776376 /nfs/dbraw/zinc/77/63/76/564776376.db2.gz MRRWQCQOECJFJQ-DIFFPNOSSA-N -1 3 380.466 2.881 20 30 GFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000490680427 564780698 /nfs/dbraw/zinc/78/06/98/564780698.db2.gz GSRBQWYWGLDSED-ZDUSSCGKSA-N -1 3 391.942 2.953 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000581582627 564809285 /nfs/dbraw/zinc/80/92/85/564809285.db2.gz BRGMYHFPLPHGMZ-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000556330002 564818711 /nfs/dbraw/zinc/81/87/11/564818711.db2.gz CRFOPEZWXKPQDX-MNOVXSKESA-N -1 3 396.690 2.733 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)ccc1OC ZINC000494457913 564830749 /nfs/dbraw/zinc/83/07/49/564830749.db2.gz OKEVTCMVINGUKM-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000557790656 564877028 /nfs/dbraw/zinc/87/70/28/564877028.db2.gz LWCJFKWUHNOYJD-OAHLLOKOSA-N -1 3 376.825 2.606 20 30 GFEDHM CCC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOCC1 ZINC000557817446 564877897 /nfs/dbraw/zinc/87/78/97/564877897.db2.gz COGCTPWJFGJUER-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H](O)C(F)(F)F ZINC000497938299 564880455 /nfs/dbraw/zinc/88/04/55/564880455.db2.gz XYJPXVUHCGIGOD-GXSJLCMTSA-N -1 3 390.305 2.557 20 30 GFEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000464411743 564906547 /nfs/dbraw/zinc/90/65/47/564906547.db2.gz NVPSXDSKWUTLJF-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCS1 ZINC000561474515 564995952 /nfs/dbraw/zinc/99/59/52/564995952.db2.gz XTWVRKAGCXFDPK-ZDUSSCGKSA-N -1 3 375.313 2.885 20 30 GFEDHM CO[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(F)(F)F ZINC000469295720 565012330 /nfs/dbraw/zinc/01/23/30/565012330.db2.gz NZIAXDDSZFRMDF-LLVKDONJSA-N -1 3 390.305 2.823 20 30 GFEDHM COc1ccc2c(c1)OC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000503700791 565026475 /nfs/dbraw/zinc/02/64/75/565026475.db2.gz GIFYRQYNCDQYGZ-ZDUSSCGKSA-N -1 3 378.837 2.502 20 30 GFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000563055663 565053653 /nfs/dbraw/zinc/05/36/53/565053653.db2.gz RXAJFSKGOZPUQA-OLZOCXBDSA-N -1 3 380.691 2.865 20 30 GFEDHM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccccc1 ZINC000585708313 565106786 /nfs/dbraw/zinc/10/67/86/565106786.db2.gz YTUHSPGSWDSAPN-OAHLLOKOSA-N -1 3 395.278 2.987 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccncc1 ZINC000588121510 565128124 /nfs/dbraw/zinc/12/81/24/565128124.db2.gz NTVCPEJFBHQAPT-UHFFFAOYSA-N -1 3 394.294 2.972 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1cccnc1 ZINC000589126220 565152559 /nfs/dbraw/zinc/15/25/59/565152559.db2.gz GUFKEUCIKCTXJV-SECBINFHSA-N -1 3 384.230 2.894 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000593551106 565340528 /nfs/dbraw/zinc/34/05/28/565340528.db2.gz UBCGBEMFMZBQTR-LBPRGKRZSA-N -1 3 395.893 2.747 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCC1CCN(CC(F)(F)F)CC1 ZINC000593561508 565341800 /nfs/dbraw/zinc/34/18/00/565341800.db2.gz NKOCHSJBXAXUCM-UHFFFAOYSA-N -1 3 381.445 2.562 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CCCCO1 ZINC000594489238 565397065 /nfs/dbraw/zinc/39/70/65/565397065.db2.gz XPWNKZPSIZQLHK-UONOGXRCSA-N -1 3 387.299 2.947 20 30 GFEDHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594770166 565417519 /nfs/dbraw/zinc/41/75/19/565417519.db2.gz YYKGHUXMTHJBRH-CABCVRRESA-N -1 3 380.491 2.554 20 30 GFEDHM C=CCC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOCC1 ZINC000594845899 565428160 /nfs/dbraw/zinc/42/81/60/565428160.db2.gz ODNRYLYAIUHMQX-UHFFFAOYSA-N -1 3 385.283 2.724 20 30 GFEDHM CCc1ncc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594861932 565431358 /nfs/dbraw/zinc/43/13/58/565431358.db2.gz IJXXPUHJPXAOML-UHFFFAOYSA-N -1 3 377.491 2.561 20 30 GFEDHM Cc1nc(C)c(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594865963 565432633 /nfs/dbraw/zinc/43/26/33/565432633.db2.gz UKYSCUPVFATXBU-UHFFFAOYSA-N -1 3 377.491 2.616 20 30 GFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000664511966 565466217 /nfs/dbraw/zinc/46/62/17/565466217.db2.gz RESYFUTWWHPUQE-TXEJJXNPSA-N -1 3 389.930 2.572 20 30 GFEDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1(F)F ZINC000595351616 565467116 /nfs/dbraw/zinc/46/71/16/565467116.db2.gz IONFIFXFVBNPHR-LLVKDONJSA-N -1 3 379.226 2.890 20 30 GFEDHM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(C(F)(F)F)c(F)c1 ZINC000644274991 565469317 /nfs/dbraw/zinc/46/93/17/565469317.db2.gz LANQJVDGZRTJEZ-RDDDGLTNSA-N -1 3 395.296 2.969 20 30 GFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000600667864 565744863 /nfs/dbraw/zinc/74/48/63/565744863.db2.gz FFJSPHDHMWGZDO-LBPRGKRZSA-N -1 3 381.292 2.820 20 30 GFEDHM C=C(CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000672423631 565807768 /nfs/dbraw/zinc/80/77/68/565807768.db2.gz JIJSYLCGFGPCHP-UHFFFAOYSA-N -1 3 375.841 2.512 20 30 GFEDHM C=C(CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000672423631 565807772 /nfs/dbraw/zinc/80/77/72/565807772.db2.gz JIJSYLCGFGPCHP-UHFFFAOYSA-N -1 3 375.841 2.512 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000679478041 566043841 /nfs/dbraw/zinc/04/38/41/566043841.db2.gz XCOHVOXALWQFNV-UHFFFAOYSA-N -1 3 384.679 2.592 20 30 GFEDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000610081442 566064563 /nfs/dbraw/zinc/06/45/63/566064563.db2.gz TUDSBJREFDDVAE-INIZCTEOSA-N -1 3 381.860 2.932 20 30 GFEDHM C=CCOCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000656955466 566193171 /nfs/dbraw/zinc/19/31/71/566193171.db2.gz GLCXSYCZUZNTMP-UHFFFAOYSA-N -1 3 378.288 2.719 20 30 GFEDHM COC(=O)[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896275 598881803 /nfs/dbraw/zinc/88/18/03/598881803.db2.gz HOBBCLUUEAOJHK-GOSISDBHSA-N -1 3 392.419 2.875 20 30 GFEDHM COC(=O)[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896275 598881804 /nfs/dbraw/zinc/88/18/04/598881804.db2.gz HOBBCLUUEAOJHK-GOSISDBHSA-N -1 3 392.419 2.875 20 30 GFEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000736037667 598887499 /nfs/dbraw/zinc/88/74/99/598887499.db2.gz NLJDXNYKIKRQFE-KBPBESRZSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000736037667 598887500 /nfs/dbraw/zinc/88/75/00/598887500.db2.gz NLJDXNYKIKRQFE-KBPBESRZSA-N -1 3 393.403 2.516 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC(F)F ZINC000737072199 598919381 /nfs/dbraw/zinc/91/93/81/598919381.db2.gz RJFDANIMIKFMAN-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1OC(F)F ZINC000737072199 598919382 /nfs/dbraw/zinc/91/93/82/598919382.db2.gz RJFDANIMIKFMAN-UHFFFAOYSA-N -1 3 386.318 2.601 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1-c1nnn[n-]1 ZINC000737719586 598919610 /nfs/dbraw/zinc/91/96/10/598919610.db2.gz SPRMVUFHFGSNKH-UHFFFAOYSA-N -1 3 399.370 2.836 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1-c1nn[n-]n1 ZINC000737719586 598919611 /nfs/dbraw/zinc/91/96/11/598919611.db2.gz SPRMVUFHFGSNKH-UHFFFAOYSA-N -1 3 399.370 2.836 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736236943 598927975 /nfs/dbraw/zinc/92/79/75/598927975.db2.gz UJDJZGPPFSQSCC-BZNIZROVSA-N -1 3 387.403 2.585 20 30 GFEDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736236943 598927977 /nfs/dbraw/zinc/92/79/77/598927977.db2.gz UJDJZGPPFSQSCC-BZNIZROVSA-N -1 3 387.403 2.585 20 30 GFEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735419215 598954357 /nfs/dbraw/zinc/95/43/57/598954357.db2.gz QEZOOMHHTVCHIL-UHFFFAOYSA-N -1 3 383.477 2.595 20 30 GFEDHM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735419215 598954358 /nfs/dbraw/zinc/95/43/58/598954358.db2.gz QEZOOMHHTVCHIL-UHFFFAOYSA-N -1 3 383.477 2.595 20 30 GFEDHM Cc1nc2scc(C3CC3)n2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822468277 607254419 /nfs/dbraw/zinc/25/44/19/607254419.db2.gz ZLQYFZHGORUDQX-UHFFFAOYSA-N -1 3 378.465 2.885 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736509321 598970688 /nfs/dbraw/zinc/97/06/88/598970688.db2.gz USMNNDXDSUINAQ-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736509321 598970690 /nfs/dbraw/zinc/97/06/90/598970690.db2.gz USMNNDXDSUINAQ-CYBMUJFWSA-N -1 3 382.449 2.510 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735426600 598999554 /nfs/dbraw/zinc/99/95/54/598999554.db2.gz SMCQUBFGUDTXBL-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735426600 598999557 /nfs/dbraw/zinc/99/95/57/598999557.db2.gz SMCQUBFGUDTXBL-UHFFFAOYSA-N -1 3 387.440 2.691 20 30 GFEDHM N#CCCCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688802 599003405 /nfs/dbraw/zinc/00/34/05/599003405.db2.gz YBSPZBKFSCERQX-UHFFFAOYSA-N -1 3 376.420 2.869 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735418350 599004396 /nfs/dbraw/zinc/00/43/96/599004396.db2.gz BLVKMJBINXYBMA-UHFFFAOYSA-N -1 3 375.498 2.932 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735418350 599004398 /nfs/dbraw/zinc/00/43/98/599004398.db2.gz BLVKMJBINXYBMA-UHFFFAOYSA-N -1 3 375.498 2.932 20 30 GFEDHM COc1cc(C#N)ccc1OCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737034275 599010169 /nfs/dbraw/zinc/01/01/69/599010169.db2.gz HXNRFSRVBQQQPP-UHFFFAOYSA-N -1 3 397.460 2.938 20 30 GFEDHM COc1cc(C#N)ccc1OCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737034275 599010171 /nfs/dbraw/zinc/01/01/71/599010171.db2.gz HXNRFSRVBQQQPP-UHFFFAOYSA-N -1 3 397.460 2.938 20 30 GFEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1-n1cncn1 ZINC000822199161 599116615 /nfs/dbraw/zinc/11/66/15/599116615.db2.gz YOELUBHCLZUONY-SXGWCWSVSA-N -1 3 383.415 2.968 20 30 GFEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1-n1cncn1 ZINC000822199161 599116617 /nfs/dbraw/zinc/11/66/17/599116617.db2.gz YOELUBHCLZUONY-SXGWCWSVSA-N -1 3 383.415 2.968 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCC3=O)cc2)cc1-c1nnn[n-]1 ZINC000737082798 599153392 /nfs/dbraw/zinc/15/33/92/599153392.db2.gz ZMQAFWSHKRTGRN-WMZJFQQLSA-N -1 3 389.415 2.898 20 30 GFEDHM COc1ccc(C=CC(=O)c2ccc(N3CCCC3=O)cc2)cc1-c1nn[n-]n1 ZINC000737082798 599153394 /nfs/dbraw/zinc/15/33/94/599153394.db2.gz ZMQAFWSHKRTGRN-WMZJFQQLSA-N -1 3 389.415 2.898 20 30 GFEDHM COc1cc(Br)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737035620 599193937 /nfs/dbraw/zinc/19/39/37/599193937.db2.gz VTDJSFQIOAGDKA-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM COc1cc(Br)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737035620 599193939 /nfs/dbraw/zinc/19/39/39/599193939.db2.gz VTDJSFQIOAGDKA-UHFFFAOYSA-N -1 3 399.208 2.762 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1-c1nnn[n-]1 ZINC000737716847 599195746 /nfs/dbraw/zinc/19/57/46/599195746.db2.gz VWPNZGCZZVVCKB-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1-c1nn[n-]n1 ZINC000737716847 599195748 /nfs/dbraw/zinc/19/57/48/599195748.db2.gz VWPNZGCZZVVCKB-UHFFFAOYSA-N -1 3 375.323 2.785 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1-c1nnn[n-]1 ZINC000822829633 607353151 /nfs/dbraw/zinc/35/31/51/607353151.db2.gz BCPYRSXMNHSVBT-UHFFFAOYSA-N -1 3 399.370 2.581 20 30 GFEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)cc1-c1nn[n-]n1 ZINC000822829633 607353153 /nfs/dbraw/zinc/35/31/53/607353153.db2.gz BCPYRSXMNHSVBT-UHFFFAOYSA-N -1 3 399.370 2.581 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735387837 598417675 /nfs/dbraw/zinc/41/76/75/598417675.db2.gz HOPSEZOEULBUND-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735387837 598417676 /nfs/dbraw/zinc/41/76/76/598417676.db2.gz HOPSEZOEULBUND-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735380280 598433731 /nfs/dbraw/zinc/43/37/31/598433731.db2.gz IDBPRQLVUDMKRC-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735380280 598433733 /nfs/dbraw/zinc/43/37/33/598433733.db2.gz IDBPRQLVUDMKRC-LSDHHAIUSA-N -1 3 392.415 2.950 20 30 GFEDHM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736214856 598436444 /nfs/dbraw/zinc/43/64/44/598436444.db2.gz RAEBJJRYAMMHDW-UZYVYHOESA-N -1 3 393.476 2.786 20 30 GFEDHM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736214856 598436446 /nfs/dbraw/zinc/43/64/46/598436446.db2.gz RAEBJJRYAMMHDW-UZYVYHOESA-N -1 3 393.476 2.786 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000737674354 598536525 /nfs/dbraw/zinc/53/65/25/598536525.db2.gz JLVXTLYXOCDPHI-LLVKDONJSA-N -1 3 394.338 2.821 20 30 GFEDHM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000737674354 598536528 /nfs/dbraw/zinc/53/65/28/598536528.db2.gz JLVXTLYXOCDPHI-LLVKDONJSA-N -1 3 394.338 2.821 20 30 GFEDHM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736098349 598576999 /nfs/dbraw/zinc/57/69/99/598576999.db2.gz DKYHBVNRTNGQJP-AUUYWEPGSA-N -1 3 387.447 2.585 20 30 GFEDHM C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736098349 598577000 /nfs/dbraw/zinc/57/70/00/598577000.db2.gz DKYHBVNRTNGQJP-AUUYWEPGSA-N -1 3 387.447 2.585 20 30 GFEDHM CC(CCCOc1ccccc1C(N)=O)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735984688 598638690 /nfs/dbraw/zinc/63/86/90/598638690.db2.gz GJQACWVWXLPSCC-UHFFFAOYSA-N -1 3 379.424 2.613 20 30 GFEDHM CC(CCCOc1ccccc1C(N)=O)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735984688 598638692 /nfs/dbraw/zinc/63/86/92/598638692.db2.gz GJQACWVWXLPSCC-UHFFFAOYSA-N -1 3 379.424 2.613 20 30 GFEDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCc2ccc(F)cc2C#N)n1 ZINC000736601615 598644363 /nfs/dbraw/zinc/64/43/63/598644363.db2.gz BDEBBNIRMCRBQN-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCc2ccc(F)cc2C#N)n1 ZINC000736601615 598644364 /nfs/dbraw/zinc/64/43/64/598644364.db2.gz BDEBBNIRMCRBQN-UHFFFAOYSA-N -1 3 384.396 2.741 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000110787577 598648978 /nfs/dbraw/zinc/64/89/78/598648978.db2.gz JYQHEHNNLJUVMG-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000110787577 598648981 /nfs/dbraw/zinc/64/89/81/598648981.db2.gz JYQHEHNNLJUVMG-UHFFFAOYSA-N -1 3 376.420 2.604 20 30 GFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735374308 598656158 /nfs/dbraw/zinc/65/61/58/598656158.db2.gz HPLFIIIMDIFQKM-UHFFFAOYSA-N -1 3 381.436 2.760 20 30 GFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735374308 598656160 /nfs/dbraw/zinc/65/61/60/598656160.db2.gz HPLFIIIMDIFQKM-UHFFFAOYSA-N -1 3 381.436 2.760 20 30 GFEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)Cc1ccc(OC)cc1 ZINC000819739964 607363834 /nfs/dbraw/zinc/36/38/34/607363834.db2.gz LXBWGHBEXLNJKX-UHFFFAOYSA-N -1 3 396.451 2.712 20 30 GFEDHM N#Cc1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c([N+](=O)[O-])c1 ZINC000737718246 598797917 /nfs/dbraw/zinc/79/79/17/598797917.db2.gz MUTIDBILTRCZSQ-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#Cc1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c([N+](=O)[O-])c1 ZINC000737718246 598797920 /nfs/dbraw/zinc/79/79/20/598797920.db2.gz MUTIDBILTRCZSQ-UHFFFAOYSA-N -1 3 391.391 2.694 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822802313 599343934 /nfs/dbraw/zinc/34/39/34/599343934.db2.gz ZCRGDBQWLQTSKZ-QGZVFWFLSA-N -1 3 381.390 2.532 20 30 GFEDHM N#C[C@H](c1ccc(F)cc1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822802313 599343936 /nfs/dbraw/zinc/34/39/36/599343936.db2.gz ZCRGDBQWLQTSKZ-QGZVFWFLSA-N -1 3 381.390 2.532 20 30 GFEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CSc1ccc(C#N)cc1 ZINC000821740952 607416909 /nfs/dbraw/zinc/41/69/09/607416909.db2.gz FGUCRCJOWAFASR-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CSc1ccc(C#N)cc1 ZINC000821740952 607416910 /nfs/dbraw/zinc/41/69/10/607416910.db2.gz FGUCRCJOWAFASR-UHFFFAOYSA-N -1 3 381.417 2.582 20 30 GFEDHM C=CCOc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1OC ZINC000823932361 607421654 /nfs/dbraw/zinc/42/16/54/607421654.db2.gz VOZKLRSPWWELOB-UHFFFAOYSA-N -1 3 391.431 2.859 20 30 GFEDHM C=CCOc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1OC ZINC000823932361 607421655 /nfs/dbraw/zinc/42/16/55/607421655.db2.gz VOZKLRSPWWELOB-UHFFFAOYSA-N -1 3 391.431 2.859 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000819733841 607438626 /nfs/dbraw/zinc/43/86/26/607438626.db2.gz CCJGJASFELOMSU-MRXNPFEDSA-N -1 3 394.410 2.768 20 30 GFEDHM C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000819733841 607438628 /nfs/dbraw/zinc/43/86/28/607438628.db2.gz CCJGJASFELOMSU-MRXNPFEDSA-N -1 3 394.410 2.768 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000819734473 607438671 /nfs/dbraw/zinc/43/86/71/607438671.db2.gz OWEWCUMKMHOWBH-KRWDZBQOSA-N -1 3 390.447 2.937 20 30 GFEDHM C=CCC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000819734473 607438673 /nfs/dbraw/zinc/43/86/73/607438673.db2.gz OWEWCUMKMHOWBH-KRWDZBQOSA-N -1 3 390.447 2.937 20 30 GFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000827717907 601301906 /nfs/dbraw/zinc/30/19/06/601301906.db2.gz MSUHKSXKTCKTSP-SZNDQCEHSA-N -1 3 393.443 2.692 20 30 GFEDHM CN(C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739637698 602379634 /nfs/dbraw/zinc/37/96/34/602379634.db2.gz QSPXCYHKJZIDEF-UONOGXRCSA-N -1 3 386.477 2.794 20 30 GFEDHM CN(C(=O)[O-])C1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000737937709 602535073 /nfs/dbraw/zinc/53/50/73/602535073.db2.gz NQZFGFDHRRJIDC-UHFFFAOYSA-N -1 3 376.482 2.511 20 30 GFEDHM N#Cc1c(NC(=O)CCN2CCC[C@@H]2CNC(=O)[O-])sc2c1CCCC2 ZINC000831114729 603574882 /nfs/dbraw/zinc/57/48/82/603574882.db2.gz SIGMRQHKUCTMSZ-GFCCVEGCSA-N -1 3 376.482 2.559 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826383857 607672633 /nfs/dbraw/zinc/67/26/33/607672633.db2.gz UVAZCJXQFJPPDO-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826383857 607672635 /nfs/dbraw/zinc/67/26/35/607672635.db2.gz UVAZCJXQFJPPDO-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#CCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826381233 607712606 /nfs/dbraw/zinc/71/26/06/607712606.db2.gz CULVRUWPDHYJCK-KRWDZBQOSA-N -1 3 379.399 2.850 20 30 GFEDHM N#CCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381233 607712607 /nfs/dbraw/zinc/71/26/07/607712607.db2.gz CULVRUWPDHYJCK-KRWDZBQOSA-N -1 3 379.399 2.850 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](COC)c1ccco1 ZINC000819743388 606117415 /nfs/dbraw/zinc/11/74/15/606117415.db2.gz HTEITRJPXLCWLK-MRXNPFEDSA-N -1 3 382.424 2.545 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](COC)c1ccco1 ZINC000819743388 606117416 /nfs/dbraw/zinc/11/74/16/606117416.db2.gz HTEITRJPXLCWLK-MRXNPFEDSA-N -1 3 382.424 2.545 20 30 GFEDHM C=CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)CC1CCCCC1 ZINC000819743767 606188737 /nfs/dbraw/zinc/18/87/37/606188737.db2.gz PTUFMFVWUWEGGC-UHFFFAOYSA-N -1 3 389.525 2.709 20 30 GFEDHM C=CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC1CCCCC1 ZINC000819743767 606188738 /nfs/dbraw/zinc/18/87/38/606188738.db2.gz PTUFMFVWUWEGGC-UHFFFAOYSA-N -1 3 389.525 2.709 20 30 GFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822924252 606304523 /nfs/dbraw/zinc/30/45/23/606304523.db2.gz ZMDNBLITTIBJLC-DUXPYHPUSA-N -1 3 385.424 2.800 20 30 GFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822924252 606304525 /nfs/dbraw/zinc/30/45/25/606304525.db2.gz ZMDNBLITTIBJLC-DUXPYHPUSA-N -1 3 385.424 2.800 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000822802276 606320713 /nfs/dbraw/zinc/32/07/13/606320713.db2.gz YPAKEYZOAJGPNJ-LJQANCHMSA-N -1 3 399.414 2.768 20 30 GFEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000822802276 606320714 /nfs/dbraw/zinc/32/07/14/606320714.db2.gz YPAKEYZOAJGPNJ-LJQANCHMSA-N -1 3 399.414 2.768 20 30 GFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822801658 606445607 /nfs/dbraw/zinc/44/56/07/606445607.db2.gz LQVODTDOPHUEPG-RBUKOAKNSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000822800956 606562690 /nfs/dbraw/zinc/56/26/90/606562690.db2.gz BTXNPUOSAFUNJE-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000822800956 606562692 /nfs/dbraw/zinc/56/26/92/606562692.db2.gz BTXNPUOSAFUNJE-OAHLLOKOSA-N -1 3 397.236 2.553 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821640668 606931121 /nfs/dbraw/zinc/93/11/21/606931121.db2.gz MIKCKVROLMSVII-YFTXEMMHSA-N -1 3 378.388 2.703 20 30 GFEDHM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821640668 606931122 /nfs/dbraw/zinc/93/11/22/606931122.db2.gz MIKCKVROLMSVII-YFTXEMMHSA-N -1 3 378.388 2.703 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822826406 606995882 /nfs/dbraw/zinc/99/58/82/606995882.db2.gz WMZMNYVWYYHWRV-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1ccc(CSCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822826406 606995884 /nfs/dbraw/zinc/99/58/84/606995884.db2.gz WMZMNYVWYYHWRV-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000821292420 607099378 /nfs/dbraw/zinc/09/93/78/607099378.db2.gz ASRCOHHMDPIFNE-GFCCVEGCSA-N -1 3 377.408 2.576 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COc2ccc(C#N)cc2F)c1-c1nnn[n-]1 ZINC000822486892 607171366 /nfs/dbraw/zinc/17/13/66/607171366.db2.gz UTNMCMRUJHNDTC-UHFFFAOYSA-N -1 3 375.367 2.951 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(N2CCOC2=O)c1 ZINC000826401338 607917039 /nfs/dbraw/zinc/91/70/39/607917039.db2.gz WEHRHOQSQFSTBO-ALCCZGGFSA-N -1 3 379.351 2.859 20 30 GFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(N2CCOC2=O)c1 ZINC000826401338 607917040 /nfs/dbraw/zinc/91/70/40/607917040.db2.gz WEHRHOQSQFSTBO-ALCCZGGFSA-N -1 3 379.351 2.859 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C)c1C(F)F ZINC000823915032 608008317 /nfs/dbraw/zinc/00/83/17/608008317.db2.gz RRKBDLSVRGBRGV-UHFFFAOYSA-N -1 3 388.382 2.758 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C)c1C(F)F ZINC000823915032 608008318 /nfs/dbraw/zinc/00/83/18/608008318.db2.gz RRKBDLSVRGBRGV-UHFFFAOYSA-N -1 3 388.382 2.758 20 30 GFEDHM COc1ccc(COCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000826206947 608028091 /nfs/dbraw/zinc/02/80/91/608028091.db2.gz SKEBTPDSKVDMCQ-UHFFFAOYSA-N -1 3 392.419 2.682 20 30 GFEDHM COc1ccc(COCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000826206947 608028092 /nfs/dbraw/zinc/02/80/92/608028092.db2.gz SKEBTPDSKVDMCQ-UHFFFAOYSA-N -1 3 392.419 2.682 20 30 GFEDHM COCC#CCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826147373 608103395 /nfs/dbraw/zinc/10/33/95/608103395.db2.gz VILHTXJRXXMZPU-UHFFFAOYSA-N -1 3 394.456 2.966 20 30 GFEDHM COCC#CCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826147373 608103396 /nfs/dbraw/zinc/10/33/96/608103396.db2.gz VILHTXJRXXMZPU-UHFFFAOYSA-N -1 3 394.456 2.966 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000823909609 608196463 /nfs/dbraw/zinc/19/64/63/608196463.db2.gz KXYZBFMZMJVPMJ-OXJNMPFZSA-N -1 3 391.475 2.854 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1 ZINC000823909609 608196465 /nfs/dbraw/zinc/19/64/65/608196465.db2.gz KXYZBFMZMJVPMJ-OXJNMPFZSA-N -1 3 391.475 2.854 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1Cc2ccc(F)cc2C1=O ZINC000823914690 608219697 /nfs/dbraw/zinc/21/96/97/608219697.db2.gz LWRJNYFPICUAER-UHFFFAOYSA-N -1 3 378.411 2.607 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1Cc2ccc(F)cc2C1=O ZINC000823914690 608219698 /nfs/dbraw/zinc/21/96/98/608219698.db2.gz LWRJNYFPICUAER-UHFFFAOYSA-N -1 3 378.411 2.607 20 30 GFEDHM N#Cc1ccc2nc(N3CCN(c4ccccc4-c4nnn[n-]4)CC3)ccc2c1 ZINC000826386123 608225666 /nfs/dbraw/zinc/22/56/66/608225666.db2.gz PVRYQZKVABGWBL-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM N#Cc1ccc2nc(N3CCN(c4ccccc4-c4nn[n-]n4)CC3)ccc2c1 ZINC000826386123 608225667 /nfs/dbraw/zinc/22/56/67/608225667.db2.gz PVRYQZKVABGWBL-UHFFFAOYSA-N -1 3 382.431 2.613 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccnc(SC)c1 ZINC000823909583 608273405 /nfs/dbraw/zinc/27/34/05/608273405.db2.gz KEJPQTURCABWLQ-UHFFFAOYSA-N -1 3 395.492 2.881 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccnc(SC)c1 ZINC000823909583 608273407 /nfs/dbraw/zinc/27/34/07/608273407.db2.gz KEJPQTURCABWLQ-UHFFFAOYSA-N -1 3 395.492 2.881 20 30 GFEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000826384315 608304244 /nfs/dbraw/zinc/30/42/44/608304244.db2.gz QIPWTGQYYRJKMI-UHFFFAOYSA-N -1 3 381.399 2.730 20 30 GFEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000826384315 608304247 /nfs/dbraw/zinc/30/42/47/608304247.db2.gz QIPWTGQYYRJKMI-UHFFFAOYSA-N -1 3 381.399 2.730 20 30 GFEDHM N#CC1(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000826379946 608384020 /nfs/dbraw/zinc/38/40/20/608384020.db2.gz HWDCKJQKVZKBFI-UHFFFAOYSA-N -1 3 386.419 2.759 20 30 GFEDHM N#CC1(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000826379946 608384022 /nfs/dbraw/zinc/38/40/22/608384022.db2.gz HWDCKJQKVZKBFI-UHFFFAOYSA-N -1 3 386.419 2.759 20 30 GFEDHM N#Cc1cccc(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386775 608397333 /nfs/dbraw/zinc/39/73/33/608397333.db2.gz SGBRASXELMURLK-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM N#Cc1cccc(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826386775 608397335 /nfs/dbraw/zinc/39/73/35/608397335.db2.gz SGBRASXELMURLK-UHFFFAOYSA-N -1 3 385.431 2.737 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823888413 608561561 /nfs/dbraw/zinc/56/15/61/608561561.db2.gz LSXXKBYWUCVIJE-CQSZACIVSA-N -1 3 379.420 2.573 20 30 GFEDHM C=CC[C@@H](CO)CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888413 608561563 /nfs/dbraw/zinc/56/15/63/608561563.db2.gz LSXXKBYWUCVIJE-CQSZACIVSA-N -1 3 379.420 2.573 20 30 GFEDHM C=C(C)CN(CC)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823878021 608621960 /nfs/dbraw/zinc/62/19/60/608621960.db2.gz MKWXELMBTCLVPH-UHFFFAOYSA-N -1 3 385.472 2.559 20 30 GFEDHM C=C(C)CN(CC)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823878021 608621963 /nfs/dbraw/zinc/62/19/63/608621963.db2.gz MKWXELMBTCLVPH-UHFFFAOYSA-N -1 3 385.472 2.559 20 30 GFEDHM CC1(C#N)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000824778467 609158135 /nfs/dbraw/zinc/15/81/35/609158135.db2.gz PPZMDYONPIHPEU-UHFFFAOYSA-N -1 3 377.355 2.626 20 30 GFEDHM CC1(C#N)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000824778467 609158136 /nfs/dbraw/zinc/15/81/36/609158136.db2.gz PPZMDYONPIHPEU-UHFFFAOYSA-N -1 3 377.355 2.626 20 30 GFEDHM CC1(C#N)CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000824777905 609173658 /nfs/dbraw/zinc/17/36/58/609173658.db2.gz LDCDYXKANUQQGD-UHFFFAOYSA-N -1 3 392.419 2.805 20 30 GFEDHM N#Cc1c(F)cccc1-n1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826383132 609279467 /nfs/dbraw/zinc/27/94/67/609279467.db2.gz MBPOHWGNZTWZRJ-UHFFFAOYSA-N -1 3 390.382 2.554 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000826293317 609417410 /nfs/dbraw/zinc/41/74/10/609417410.db2.gz KUNDIMQKAWXUMY-VIFPVBQESA-N -1 3 382.409 2.786 20 30 GFEDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000826293317 609417412 /nfs/dbraw/zinc/41/74/12/609417412.db2.gz KUNDIMQKAWXUMY-VIFPVBQESA-N -1 3 382.409 2.786 20 30 GFEDHM N#Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c[nH]1 ZINC000826383894 609454892 /nfs/dbraw/zinc/45/48/92/609454892.db2.gz WMZFSEGQZCNIPA-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM N#Cc1cc(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c[nH]1 ZINC000826383894 609454894 /nfs/dbraw/zinc/45/48/94/609454894.db2.gz WMZFSEGQZCNIPA-UHFFFAOYSA-N -1 3 385.387 2.898 20 30 GFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824098833 609507662 /nfs/dbraw/zinc/50/76/62/609507662.db2.gz ASMOOMOERVEVTI-QGZVFWFLSA-N -1 3 390.831 2.720 20 30 GFEDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824098833 609507663 /nfs/dbraw/zinc/50/76/63/609507663.db2.gz ASMOOMOERVEVTI-QGZVFWFLSA-N -1 3 390.831 2.720 20 30 GFEDHM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706551 609590230 /nfs/dbraw/zinc/59/02/30/609590230.db2.gz JAIQCKWHSMBJGX-CWTRNNRKSA-N -1 3 385.424 2.733 20 30 GFEDHM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706551 609590231 /nfs/dbraw/zinc/59/02/31/609590231.db2.gz JAIQCKWHSMBJGX-CWTRNNRKSA-N -1 3 385.424 2.733 20 30 GFEDHM C=CCOCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823925365 609641859 /nfs/dbraw/zinc/64/18/59/609641859.db2.gz IUXORONXEYURRX-UHFFFAOYSA-N -1 3 381.461 2.950 20 30 GFEDHM C=CCOCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823925365 609641860 /nfs/dbraw/zinc/64/18/60/609641860.db2.gz IUXORONXEYURRX-UHFFFAOYSA-N -1 3 381.461 2.950 20 30 GFEDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c(Cl)cc1Cl ZINC000819897581 660273053 /nfs/dbraw/zinc/27/30/53/660273053.db2.gz JOOGFURPWYFBLP-DTWKUNHWSA-N -1 3 377.249 2.751 20 30 GFEDHM C=CCN(c1ccccc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135417818 655016200 /nfs/dbraw/zinc/01/62/00/655016200.db2.gz HGIPNCWWQFLPGC-UHFFFAOYSA-N -1 3 384.454 2.579 20 30 GFEDHM Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000329150051 655387448 /nfs/dbraw/zinc/38/74/48/655387448.db2.gz ZGKPSTILYMSHAK-QMMMGPOBSA-N -1 3 375.376 2.987 20 30 GFEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000743449283 655729260 /nfs/dbraw/zinc/72/92/60/655729260.db2.gz KBLQKJAHCWZMPU-GFCCVEGCSA-N -1 3 375.837 2.999 20 30 GFEDHM O=C1CN(N=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)[N-]1 ZINC000744807262 655745270 /nfs/dbraw/zinc/74/52/70/655745270.db2.gz SIFCBHNNKGWKIX-UHFFFAOYSA-N -1 3 388.221 2.914 20 30 GFEDHM COC(=O)c1ccc(N=NCc2ccc(OC)c([O-])c2Br)nc1 ZINC000761013919 655996294 /nfs/dbraw/zinc/99/62/94/655996294.db2.gz UYDSPSCOJCCDSB-UHFFFAOYSA-N -1 3 380.198 2.791 20 30 GFEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000766046821 656158582 /nfs/dbraw/zinc/15/85/82/656158582.db2.gz DDEANLUXKJBVAS-JTQLQIEISA-N -1 3 381.679 2.938 20 30 GFEDHM CC(=NNc1ccccc1S(N)(=O)=O)c1ccc(Br)cc1[O-] ZINC000773124462 656400290 /nfs/dbraw/zinc/40/02/90/656400290.db2.gz YCUUBHASHPATLN-UHFFFAOYSA-N -1 3 384.255 2.638 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2sccc2C)ccc1F ZINC000773340033 656414383 /nfs/dbraw/zinc/41/43/83/656414383.db2.gz NBRWFFNBRKQMGU-UHFFFAOYSA-N -1 3 382.482 2.632 20 30 GFEDHM CCOC(=O)c1cnc(N=NCc2cc(O)cc(Br)c2[O-])nc1C ZINC000777887405 656840746 /nfs/dbraw/zinc/84/07/46/656840746.db2.gz DJPFEAGSGZMOMQ-UHFFFAOYSA-N -1 3 395.213 2.581 20 30 GFEDHM Cn1nc(Br)c2c1ncnc2N=NCc1c(F)ccc([O-])c1F ZINC000794503012 658553409 /nfs/dbraw/zinc/55/34/09/658553409.db2.gz XHMOMOAEWYOOEH-UHFFFAOYSA-N -1 3 383.156 2.556 20 30 GFEDHM C=C(C)CO[N-]C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000846539548 661555705 /nfs/dbraw/zinc/55/57/05/661555705.db2.gz ZQDHGPUDHQTIAE-LBPRGKRZSA-N -1 3 397.269 2.541 20 30 GFEDHM N#CC1(C(=O)[N-]N2C(=O)c3ccc(Br)cc3C2=O)CCCCC1 ZINC000848271260 661637483 /nfs/dbraw/zinc/63/74/83/661637483.db2.gz DJZBEVCDQYTMIH-UHFFFAOYSA-N -1 3 376.210 2.550 20 30 GFEDHM C#C[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000848290729 661639100 /nfs/dbraw/zinc/63/91/00/661639100.db2.gz GYMWUHOJQVWGOR-LBPRGKRZSA-N -1 3 389.304 2.534 20 30 GFEDHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000879386533 662925182 /nfs/dbraw/zinc/92/51/82/662925182.db2.gz LXXDMKAFFNEDNO-MNOVXSKESA-N -1 3 383.729 2.762 20 30 GFEDHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000879386535 662925239 /nfs/dbraw/zinc/92/52/39/662925239.db2.gz LXXDMKAFFNEDNO-QWRGUYRKSA-N -1 3 383.729 2.762 20 30 GFEDHM O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000879492805 662927411 /nfs/dbraw/zinc/92/74/11/662927411.db2.gz RXRBTQQGMADVNC-JTQLQIEISA-N -1 3 381.738 2.783 20 30 GFEDHM C#CCN1CCC(C(=O)N[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000909756962 664173160 /nfs/dbraw/zinc/17/31/60/664173160.db2.gz ROSGAHVUXBGDTQ-SFHVURJKSA-N -1 3 383.275 2.755 20 30 GFEDHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000914245743 664390107 /nfs/dbraw/zinc/39/01/07/664390107.db2.gz MEIAYFITSOLTRS-UHFFFAOYSA-N -1 3 378.523 2.944 20 30 GFEDHM COc1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c(OC)cc1Br ZINC000153506962 551454085 /nfs/dbraw/zinc/45/40/85/551454085.db2.gz RUHIIGIWNJXKSP-ZDUSSCGKSA-N -1 3 391.287 2.683 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2c(c1)OCCO2 ZINC000178492277 552171561 /nfs/dbraw/zinc/17/15/61/552171561.db2.gz ZAQTULODKFOYEC-UHFFFAOYSA-N -1 3 378.837 2.504 20 30 GFEDHM C[C@]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000178601985 552173342 /nfs/dbraw/zinc/17/33/42/552173342.db2.gz DIIPTGQWELCKOS-MRXNPFEDSA-N -1 3 398.271 2.544 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000178846924 552177249 /nfs/dbraw/zinc/17/72/49/552177249.db2.gz SPJXDOBLQAGHRV-CQSZACIVSA-N -1 3 398.271 2.760 20 30 GFEDHM COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000180035820 552210391 /nfs/dbraw/zinc/21/03/91/552210391.db2.gz ROZXLNCOVHUBSK-GFCCVEGCSA-N -1 3 380.853 2.966 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000183531344 552312301 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COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1OC ZINC000437931952 563700740 /nfs/dbraw/zinc/70/07/40/563700740.db2.gz HINFGCAZLHHDOL-UHFFFAOYSA-N -1 3 380.809 2.808 20 30 GFEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccc(F)c1 ZINC000443096729 563791781 /nfs/dbraw/zinc/79/17/81/563791781.db2.gz SPJKKDDLBIOTEB-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)c1 ZINC000366226725 563801671 /nfs/dbraw/zinc/80/16/71/563801671.db2.gz IEXGJKPQVDRXJW-UHFFFAOYSA-N -1 3 388.783 2.890 20 30 GFEDHM CC(C)n1cc2c(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC2 ZINC000443507044 563807112 /nfs/dbraw/zinc/80/71/12/563807112.db2.gz FYSFNSOJXDFSLE-HNNXBMFYSA-N -1 3 378.885 2.825 20 30 GFEDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416407167 563824056 /nfs/dbraw/zinc/82/40/56/563824056.db2.gz IRCRDPYOIQJGBM-SNVBAGLBSA-N -1 3 375.288 2.803 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CCOCC1 ZINC000416413472 563824919 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C=CCNC(=O)Cc1noc(-c2[n-]nc(-c3ccccc3)c2Br)n1 ZINC000445354561 563848409 /nfs/dbraw/zinc/84/84/09/563848409.db2.gz ZYUVGDLWPFVMIP-UHFFFAOYSA-N -1 3 388.225 2.734 20 30 GFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(CCn2cc(Br)cn2)cc1 ZINC000416941569 563863593 /nfs/dbraw/zinc/86/35/93/563863593.db2.gz AGBGHELDVHIAMB-HNNXBMFYSA-N -1 3 397.298 2.932 20 30 GFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)[C@H](O)C(F)(F)F ZINC000447868799 563888904 /nfs/dbraw/zinc/88/89/04/563888904.db2.gz MZXOQCZVJFHDQD-UWVGGRQHSA-N -1 3 383.285 2.825 20 30 GFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000566133946 564311968 /nfs/dbraw/zinc/31/19/68/564311968.db2.gz OXJWIWKHNIGCLJ-ZDUSSCGKSA-N -1 3 377.491 2.508 20 30 GFEDHM N#CCc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000543140482 564339041 /nfs/dbraw/zinc/33/90/41/564339041.db2.gz NJFBTFNVCBPNLL-UHFFFAOYSA-N -1 3 375.519 2.757 20 30 GFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000451808145 564354048 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CN(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000549234533 564588853 /nfs/dbraw/zinc/58/88/53/564588853.db2.gz KOPRLNWLLCMSPI-MRXNPFEDSA-N -1 3 381.860 2.932 20 30 GFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1F ZINC000484982101 564604034 /nfs/dbraw/zinc/60/40/34/564604034.db2.gz BDWHUTYKMFPWPX-UHFFFAOYSA-N -1 3 379.438 2.800 20 30 GFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000520969878 564616821 /nfs/dbraw/zinc/61/68/21/564616821.db2.gz DUZGYKCLDFIFDK-CVEARBPZSA-N -1 3 377.853 2.805 20 30 GFEDHM N#CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)CC1 ZINC000523157055 564663124 /nfs/dbraw/zinc/66/31/24/564663124.db2.gz FANBCIKOPXWBDG-UHFFFAOYSA-N -1 3 375.837 2.927 20 30 GFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C12CCC2 ZINC000553499833 564722953 /nfs/dbraw/zinc/72/29/53/564722953.db2.gz PFZQCZNNMRTHBB-CABCVRRESA-N -1 3 399.310 2.947 20 30 GFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H](O)C(F)(F)F ZINC000497938301 564880447 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COc1cc(Br)ccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000614557050 565119263 /nfs/dbraw/zinc/11/92/63/565119263.db2.gz AKANXVICRYGMEV-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM CC(C)NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593528239 565338221 /nfs/dbraw/zinc/33/82/21/565338221.db2.gz IZMNNNQQLSTKBM-UHFFFAOYSA-N -1 3 378.479 2.628 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC1(N2CCSCC2)CCCCC1 ZINC000593544759 565339467 /nfs/dbraw/zinc/33/94/67/565339467.db2.gz KFIGSKSVEKQQTR-UHFFFAOYSA-N -1 3 385.580 2.650 20 30 GFEDHM C[C@@H](c1ccncc1)N1CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593567185 565342795 /nfs/dbraw/zinc/34/27/95/565342795.db2.gz OGYBTHJTGLRFEM-ZDUSSCGKSA-N -1 3 376.507 2.519 20 30 GFEDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619753302 565358937 /nfs/dbraw/zinc/35/89/37/565358937.db2.gz VPSPWUYVIAAAMY-SNVBAGLBSA-N -1 3 397.909 2.949 20 30 GFEDHM COC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H]1CCCO1 ZINC000594771289 565419183 /nfs/dbraw/zinc/41/91/83/565419183.db2.gz SMUXTHBDYFMBCS-HUUCEWRRSA-N -1 3 380.491 2.554 20 30 GFEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)nn1 ZINC000632635243 566052608 /nfs/dbraw/zinc/05/26/08/566052608.db2.gz NGMQFQVKQGCPSH-UHFFFAOYSA-N -1 3 392.815 2.588 20 30 GFEDHM C=CCCO[C@@H](C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735415970 598839317 /nfs/dbraw/zinc/83/93/17/598839317.db2.gz BLDNWIBMMCJWLH-AWEZNQCLSA-N -1 3 381.440 2.589 20 30 GFEDHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2)n1 ZINC000737257583 598913761 /nfs/dbraw/zinc/91/37/61/598913761.db2.gz WRPLMRZIPYWULO-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2)n1 ZINC000737257583 598913762 /nfs/dbraw/zinc/91/37/62/598913762.db2.gz WRPLMRZIPYWULO-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737708930 598914544 /nfs/dbraw/zinc/91/45/44/598914544.db2.gz JWQIEHZCKZNUQB-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737708930 598914546 /nfs/dbraw/zinc/91/45/46/598914546.db2.gz JWQIEHZCKZNUQB-UHFFFAOYSA-N -1 3 388.309 2.818 20 30 GFEDHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737548764 598917093 /nfs/dbraw/zinc/91/70/93/598917093.db2.gz RGFRDCMENBXFTB-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737548764 598917094 /nfs/dbraw/zinc/91/70/94/598917094.db2.gz RGFRDCMENBXFTB-UHFFFAOYSA-N -1 3 391.416 2.945 20 30 GFEDHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737502776 598918085 /nfs/dbraw/zinc/91/80/85/598918085.db2.gz ADFXOXWJPTYVSA-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737502776 598918087 /nfs/dbraw/zinc/91/80/87/598918087.db2.gz ADFXOXWJPTYVSA-UHFFFAOYSA-N -1 3 398.430 2.722 20 30 GFEDHM CCOc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736650104 598918626 /nfs/dbraw/zinc/91/86/26/598918626.db2.gz AEXZWSULNZGHSI-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM CCOc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736650104 598918627 /nfs/dbraw/zinc/91/86/27/598918627.db2.gz AEXZWSULNZGHSI-UHFFFAOYSA-N -1 3 380.433 2.868 20 30 GFEDHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735499608 598924366 /nfs/dbraw/zinc/92/43/66/598924366.db2.gz PBUCNRCCZTVOJH-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM CC(=O)c1cccc(OCCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735499608 598924368 /nfs/dbraw/zinc/92/43/68/598924368.db2.gz PBUCNRCCZTVOJH-UHFFFAOYSA-N -1 3 390.403 2.739 20 30 GFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C#N)cc1OC ZINC000736625370 598937724 /nfs/dbraw/zinc/93/77/24/598937724.db2.gz CVWBLOKYDRDFMZ-UHFFFAOYSA-N -1 3 381.392 2.603 20 30 GFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C#N)cc1OC ZINC000736625370 598937726 /nfs/dbraw/zinc/93/77/26/598937726.db2.gz CVWBLOKYDRDFMZ-UHFFFAOYSA-N -1 3 381.392 2.603 20 30 GFEDHM N#Cc1cnc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c(Cl)c1 ZINC000737727879 598942036 /nfs/dbraw/zinc/94/20/36/598942036.db2.gz DCTUZORFVZSAJG-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM N#Cc1cnc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c(Cl)c1 ZINC000737727879 598942038 /nfs/dbraw/zinc/94/20/38/598942038.db2.gz DCTUZORFVZSAJG-UHFFFAOYSA-N -1 3 381.827 2.835 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735387909 598965591 /nfs/dbraw/zinc/96/55/91/598965591.db2.gz KLRMHAMKAFBBCZ-UHFFFAOYSA-N -1 3 382.811 2.854 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735387909 598965593 /nfs/dbraw/zinc/96/55/93/598965593.db2.gz KLRMHAMKAFBBCZ-UHFFFAOYSA-N -1 3 382.811 2.854 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736508451 598970085 /nfs/dbraw/zinc/97/00/85/598970085.db2.gz LYMYRHQTBCLYFT-AWEZNQCLSA-N -1 3 396.476 2.651 20 30 GFEDHM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736508451 598970087 /nfs/dbraw/zinc/97/00/87/598970087.db2.gz LYMYRHQTBCLYFT-AWEZNQCLSA-N -1 3 396.476 2.651 20 30 GFEDHM N#Cc1ccc(OCCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000822833856 599049113 /nfs/dbraw/zinc/04/91/13/599049113.db2.gz XWMFTAOMJYTPPO-UHFFFAOYSA-N -1 3 375.314 2.643 20 30 GFEDHM N#Cc1ccc(OCCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000822833856 599049116 /nfs/dbraw/zinc/04/91/16/599049116.db2.gz XWMFTAOMJYTPPO-UHFFFAOYSA-N -1 3 375.314 2.643 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000737081351 599128370 /nfs/dbraw/zinc/12/83/70/599128370.db2.gz NORUUDKXAPVKPI-UHFFFAOYSA-N -1 3 385.428 2.643 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000737081351 599128372 /nfs/dbraw/zinc/12/83/72/599128372.db2.gz NORUUDKXAPVKPI-UHFFFAOYSA-N -1 3 385.428 2.643 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2cccc(Br)c2)ccc1-c1nnn[n-]1 ZINC000737710306 599193131 /nfs/dbraw/zinc/19/31/31/599193131.db2.gz WWQATUBYIBKCEF-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2cccc(Br)c2)ccc1-c1nn[n-]n1 ZINC000737710306 599193134 /nfs/dbraw/zinc/19/31/34/599193134.db2.gz WWQATUBYIBKCEF-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(-n2cccn2)c1 ZINC000735420850 599194093 /nfs/dbraw/zinc/19/40/93/599194093.db2.gz UYIYISNSZKSNOA-UHFFFAOYSA-N -1 3 385.431 2.881 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-n2cccn2)c1 ZINC000735420850 599194094 /nfs/dbraw/zinc/19/40/94/599194094.db2.gz UYIYISNSZKSNOA-UHFFFAOYSA-N -1 3 385.431 2.881 20 30 GFEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000737717006 599195115 /nfs/dbraw/zinc/19/51/15/599195115.db2.gz YAPCKTJHNNNNHV-UHFFFAOYSA-N -1 3 387.403 2.798 20 30 GFEDHM N#Cc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000737717006 599195118 /nfs/dbraw/zinc/19/51/18/599195118.db2.gz YAPCKTJHNNNNHV-UHFFFAOYSA-N -1 3 387.403 2.798 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1Cc1ccccc1 ZINC000736671352 599199456 /nfs/dbraw/zinc/19/94/56/599199456.db2.gz WXTDQPMAMFFDEY-UHFFFAOYSA-N -1 3 398.430 2.798 20 30 GFEDHM CCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1Cc1ccccc1 ZINC000736671352 599199458 /nfs/dbraw/zinc/19/94/58/599199458.db2.gz WXTDQPMAMFFDEY-UHFFFAOYSA-N -1 3 398.430 2.798 20 30 GFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000735451000 599220139 /nfs/dbraw/zinc/22/01/39/599220139.db2.gz MIGYZQMOLQYPKJ-UHFFFAOYSA-N -1 3 392.391 2.699 20 30 GFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000736749154 598279058 /nfs/dbraw/zinc/27/90/58/598279058.db2.gz MTCWZELRIAURTC-UHFFFAOYSA-N -1 3 375.367 2.761 20 30 GFEDHM CN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000736749154 598279059 /nfs/dbraw/zinc/27/90/59/598279059.db2.gz MTCWZELRIAURTC-UHFFFAOYSA-N -1 3 375.367 2.761 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737794113 598378851 /nfs/dbraw/zinc/37/88/51/598378851.db2.gz BQWOISVFWSSRBT-XCVCLJGOSA-N -1 3 375.432 2.724 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737794113 598378853 /nfs/dbraw/zinc/37/88/53/598378853.db2.gz BQWOISVFWSSRBT-XCVCLJGOSA-N -1 3 375.432 2.724 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737794110 598379019 /nfs/dbraw/zinc/37/90/19/598379019.db2.gz BQWOISVFWSSRBT-KMKOMSMNSA-N -1 3 375.432 2.724 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCC(O)CC2)cc1 ZINC000737794110 598379021 /nfs/dbraw/zinc/37/90/21/598379021.db2.gz BQWOISVFWSSRBT-KMKOMSMNSA-N -1 3 375.432 2.724 20 30 GFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000736171518 598382533 /nfs/dbraw/zinc/38/25/33/598382533.db2.gz WUEJDCYDWVDMFU-ZBEGNZNMSA-N -1 3 382.811 2.668 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380930 598417262 /nfs/dbraw/zinc/41/72/62/598417262.db2.gz ONCXMFZIQXJBHU-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380930 598417264 /nfs/dbraw/zinc/41/72/64/598417264.db2.gz ONCXMFZIQXJBHU-CQSZACIVSA-N -1 3 378.388 2.562 20 30 GFEDHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)c1ccc(C#N)cn1 ZINC000737279027 598443445 /nfs/dbraw/zinc/44/34/45/598443445.db2.gz GXJBTKBHMPBWHE-UHFFFAOYSA-N -1 3 398.386 2.881 20 30 GFEDHM N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000737722549 598650346 /nfs/dbraw/zinc/65/03/46/598650346.db2.gz WDFHZISUUNUCMW-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000737722549 598650348 /nfs/dbraw/zinc/65/03/48/598650348.db2.gz WDFHZISUUNUCMW-UHFFFAOYSA-N -1 3 397.398 2.856 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737730989 598665512 /nfs/dbraw/zinc/66/55/12/598665512.db2.gz VCBWATVUSQVUKW-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM N#Cc1cccc(OCCCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737730989 598665514 /nfs/dbraw/zinc/66/55/14/598665514.db2.gz VCBWATVUSQVUKW-UHFFFAOYSA-N -1 3 394.410 2.743 20 30 GFEDHM N#CCCN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737685956 598666809 /nfs/dbraw/zinc/66/68/09/598666809.db2.gz GHYYROFXKAZSSW-UHFFFAOYSA-N -1 3 387.403 2.929 20 30 GFEDHM N#CCCN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737685956 598666811 /nfs/dbraw/zinc/66/68/11/598666811.db2.gz GHYYROFXKAZSSW-UHFFFAOYSA-N -1 3 387.403 2.929 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735436040 598667594 /nfs/dbraw/zinc/66/75/94/598667594.db2.gz CYBNBJCCIUXPIS-UHFFFAOYSA-N -1 3 381.461 2.840 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735436040 598667596 /nfs/dbraw/zinc/66/75/96/598667596.db2.gz CYBNBJCCIUXPIS-UHFFFAOYSA-N -1 3 381.461 2.840 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000736181800 598691282 /nfs/dbraw/zinc/69/12/82/598691282.db2.gz AUNYHVMXEFLOED-QVKFZJNVSA-N -1 3 390.447 2.665 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000736181800 598691284 /nfs/dbraw/zinc/69/12/84/598691284.db2.gz AUNYHVMXEFLOED-QVKFZJNVSA-N -1 3 390.447 2.665 20 30 GFEDHM N#Cc1cc(F)ccc1COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737705154 598711596 /nfs/dbraw/zinc/71/15/96/598711596.db2.gz NEXSHQPCHIXVEP-SFHVURJKSA-N -1 3 392.394 2.590 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000735420021 598803044 /nfs/dbraw/zinc/80/30/44/598803044.db2.gz MACCABXCNINYGG-UHFFFAOYSA-N -1 3 397.870 2.810 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000735420021 598803045 /nfs/dbraw/zinc/80/30/45/598803045.db2.gz MACCABXCNINYGG-UHFFFAOYSA-N -1 3 397.870 2.810 20 30 GFEDHM C#CCOc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709840 599624373 /nfs/dbraw/zinc/62/43/73/599624373.db2.gz RFVKNZZRMHTOJC-AWEZNQCLSA-N -1 3 378.388 2.503 20 30 GFEDHM C#CCOc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819709840 599624374 /nfs/dbraw/zinc/62/43/74/599624374.db2.gz RFVKNZZRMHTOJC-AWEZNQCLSA-N -1 3 378.388 2.503 20 30 GFEDHM N#Cc1cccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000822837336 599652398 /nfs/dbraw/zinc/65/23/98/599652398.db2.gz KEZHKDOWGFVFSM-HJWRWDBZSA-N -1 3 399.370 2.545 20 30 GFEDHM N#Cc1cccc(-c2nnc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000822837336 599652399 /nfs/dbraw/zinc/65/23/99/599652399.db2.gz KEZHKDOWGFVFSM-HJWRWDBZSA-N -1 3 399.370 2.545 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000819743705 599676752 /nfs/dbraw/zinc/67/67/52/599676752.db2.gz OUSDKVWQTRJZQP-GOSISDBHSA-N -1 3 390.447 2.957 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000819743705 599676753 /nfs/dbraw/zinc/67/67/53/599676753.db2.gz OUSDKVWQTRJZQP-GOSISDBHSA-N -1 3 390.447 2.957 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820121988 599678451 /nfs/dbraw/zinc/67/84/51/599678451.db2.gz XAEFJQAKDCYDNV-UHFFFAOYSA-N -1 3 393.426 2.998 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820121988 599678452 /nfs/dbraw/zinc/67/84/52/599678452.db2.gz XAEFJQAKDCYDNV-UHFFFAOYSA-N -1 3 393.426 2.998 20 30 GFEDHM N#Cc1ccc(F)c(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000822825705 599679648 /nfs/dbraw/zinc/67/96/48/599679648.db2.gz MFCBXHIRCZLYQY-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM N#Cc1ccc(F)c(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000822825705 599679649 /nfs/dbraw/zinc/67/96/49/599679649.db2.gz MFCBXHIRCZLYQY-UHFFFAOYSA-N -1 3 391.410 2.752 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000820549796 607504065 /nfs/dbraw/zinc/50/40/65/607504065.db2.gz RLMGFYRFCYASMX-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000820549796 607504067 /nfs/dbraw/zinc/50/40/67/607504067.db2.gz RLMGFYRFCYASMX-ZDUSSCGKSA-N -1 3 382.807 2.882 20 30 GFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(C#N)s2)c1-c1nnn[n-]1 ZINC000822486505 606139398 /nfs/dbraw/zinc/13/93/98/606139398.db2.gz MHPDDVYJUFHWMH-UHFFFAOYSA-N -1 3 391.416 2.651 20 30 GFEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CCC#N)c1-c1nnn[n-]1 ZINC000822015308 606332831 /nfs/dbraw/zinc/33/28/31/606332831.db2.gz HQOFHFGQFGIFMS-UHFFFAOYSA-N -1 3 384.488 2.574 20 30 GFEDHM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CCC#N)c1-c1nn[n-]n1 ZINC000822015308 606332833 /nfs/dbraw/zinc/33/28/33/606332833.db2.gz HQOFHFGQFGIFMS-UHFFFAOYSA-N -1 3 384.488 2.574 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccc(F)cc1 ZINC000822015501 606390776 /nfs/dbraw/zinc/39/07/76/606390776.db2.gz LCHIREMMXFNXRV-VURMDHGXSA-N -1 3 381.396 2.853 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822801485 606445632 /nfs/dbraw/zinc/44/56/32/606445632.db2.gz JURCATSEUCHICV-MOPGFXCFSA-N -1 3 388.431 2.544 20 30 GFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822801485 606445633 /nfs/dbraw/zinc/44/56/33/606445633.db2.gz JURCATSEUCHICV-MOPGFXCFSA-N -1 3 388.431 2.544 20 30 GFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823160992 606530290 /nfs/dbraw/zinc/53/02/90/606530290.db2.gz JHJVGOCGFWVRKS-UHFFFAOYSA-N -1 3 377.351 2.729 20 30 GFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823160992 606530291 /nfs/dbraw/zinc/53/02/91/606530291.db2.gz JHJVGOCGFWVRKS-UHFFFAOYSA-N -1 3 377.351 2.729 20 30 GFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820308904 606594703 /nfs/dbraw/zinc/59/47/03/606594703.db2.gz ZJWKMYLNZXUIHM-UHFFFAOYSA-N -1 3 391.382 2.874 20 30 GFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820308904 606594704 /nfs/dbraw/zinc/59/47/04/606594704.db2.gz ZJWKMYLNZXUIHM-UHFFFAOYSA-N -1 3 391.382 2.874 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)NC[C@H](C)C#N)cc1 ZINC000821703250 606834349 /nfs/dbraw/zinc/83/43/49/606834349.db2.gz WNORVIYWWVHOAP-GFCCVEGCSA-N -1 3 393.407 2.949 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)NC[C@H](C)C#N)cc1 ZINC000821703250 606834351 /nfs/dbraw/zinc/83/43/51/606834351.db2.gz WNORVIYWWVHOAP-GFCCVEGCSA-N -1 3 393.407 2.949 20 30 GFEDHM C=CCc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc(OC)c1OC ZINC000819759081 606969021 /nfs/dbraw/zinc/96/90/21/606969021.db2.gz OCUWEVXNBAIIOF-UHFFFAOYSA-N -1 3 379.420 2.889 20 30 GFEDHM C=CCc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc(OC)c1OC ZINC000819759081 606969023 /nfs/dbraw/zinc/96/90/23/606969023.db2.gz OCUWEVXNBAIIOF-UHFFFAOYSA-N -1 3 379.420 2.889 20 30 GFEDHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC000819949894 607018138 /nfs/dbraw/zinc/01/81/38/607018138.db2.gz BGPQZLYODFYUDQ-UHFFFAOYSA-N -1 3 391.435 2.882 20 30 GFEDHM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC000819949894 607018141 /nfs/dbraw/zinc/01/81/41/607018141.db2.gz BGPQZLYODFYUDQ-UHFFFAOYSA-N -1 3 391.435 2.882 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316065 607050544 /nfs/dbraw/zinc/05/05/44/607050544.db2.gz RWJBCUCYVZLWLI-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316065 607050547 /nfs/dbraw/zinc/05/05/47/607050547.db2.gz RWJBCUCYVZLWLI-ZDUSSCGKSA-N -1 3 376.420 2.773 20 30 GFEDHM N#Cc1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(Cl)c1 ZINC000822829714 607124170 /nfs/dbraw/zinc/12/41/70/607124170.db2.gz FQMHNVCFMGLXOO-INIZCTEOSA-N -1 3 379.811 2.609 20 30 GFEDHM N#Cc1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(Cl)c1 ZINC000822829714 607124172 /nfs/dbraw/zinc/12/41/72/607124172.db2.gz FQMHNVCFMGLXOO-INIZCTEOSA-N -1 3 379.811 2.609 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821770015 607238167 /nfs/dbraw/zinc/23/81/67/607238167.db2.gz NIVJYXAFKDCGOY-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM COc1ccc(C#N)cc1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821770015 607238168 /nfs/dbraw/zinc/23/81/68/607238168.db2.gz NIVJYXAFKDCGOY-UHFFFAOYSA-N -1 3 378.392 2.543 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000820031869 607244988 /nfs/dbraw/zinc/24/49/88/607244988.db2.gz ISOBRZBEPSJIPU-KRWDZBQOSA-N -1 3 381.367 2.886 20 30 GFEDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000820031869 607244989 /nfs/dbraw/zinc/24/49/89/607244989.db2.gz ISOBRZBEPSJIPU-KRWDZBQOSA-N -1 3 381.367 2.886 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Oc1ccc(C#N)cc1F ZINC000820031807 607245015 /nfs/dbraw/zinc/24/50/15/607245015.db2.gz HYNAJRPPQUVQKN-QGZVFWFLSA-N -1 3 381.367 2.886 20 30 GFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Oc1ccc(C#N)cc1F ZINC000820031807 607245016 /nfs/dbraw/zinc/24/50/16/607245016.db2.gz HYNAJRPPQUVQKN-QGZVFWFLSA-N -1 3 381.367 2.886 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000823909987 607837099 /nfs/dbraw/zinc/83/70/99/607837099.db2.gz VGGRQGKGTRIWNZ-KZNAEPCWSA-N -1 3 394.479 2.522 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000823909987 607837100 /nfs/dbraw/zinc/83/71/00/607837100.db2.gz VGGRQGKGTRIWNZ-KZNAEPCWSA-N -1 3 394.479 2.522 20 30 GFEDHM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000825272153 607882604 /nfs/dbraw/zinc/88/26/04/607882604.db2.gz XCFJKOAXIAVMNM-IBGZPJMESA-N -1 3 383.456 2.872 20 30 GFEDHM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000825272153 607882605 /nfs/dbraw/zinc/88/26/05/607882605.db2.gz XCFJKOAXIAVMNM-IBGZPJMESA-N -1 3 383.456 2.872 20 30 GFEDHM C=CCOc1ccccc1C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823931730 607914050 /nfs/dbraw/zinc/91/40/50/607914050.db2.gz DQGURYIBVRDGAL-UHFFFAOYSA-N -1 3 394.387 2.575 20 30 GFEDHM C=CCOc1ccccc1C(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823931730 607914051 /nfs/dbraw/zinc/91/40/51/607914051.db2.gz DQGURYIBVRDGAL-UHFFFAOYSA-N -1 3 394.387 2.575 20 30 GFEDHM N#Cc1ccc(CSCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826384580 607945896 /nfs/dbraw/zinc/94/58/96/607945896.db2.gz BDEGBFPDQINJEZ-UHFFFAOYSA-N -1 3 376.445 2.561 20 30 GFEDHM N#Cc1ccc(CSCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826384580 607945897 /nfs/dbraw/zinc/94/58/97/607945897.db2.gz BDEGBFPDQINJEZ-UHFFFAOYSA-N -1 3 376.445 2.561 20 30 GFEDHM C=C[C@H](CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883277 607980853 /nfs/dbraw/zinc/98/08/53/607980853.db2.gz NBVZVHVVPAXYFU-AUUYWEPGSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@H](CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883277 607980854 /nfs/dbraw/zinc/98/08/54/607980854.db2.gz NBVZVHVVPAXYFU-AUUYWEPGSA-N -1 3 392.415 2.984 20 30 GFEDHM Cc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826281094 608073402 /nfs/dbraw/zinc/07/34/02/608073402.db2.gz DKWICXPDGJXVQV-GOSISDBHSA-N -1 3 389.419 2.652 20 30 GFEDHM Cc1ccc(C#N)cc1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826281094 608073403 /nfs/dbraw/zinc/07/34/03/608073403.db2.gz DKWICXPDGJXVQV-GOSISDBHSA-N -1 3 389.419 2.652 20 30 GFEDHM C#CCCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000823845346 608135807 /nfs/dbraw/zinc/13/58/07/608135807.db2.gz OWCURMBGNOIJKV-UHFFFAOYSA-N -1 3 393.447 2.906 20 30 GFEDHM C#CCCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)cc1 ZINC000823845346 608135808 /nfs/dbraw/zinc/13/58/08/608135808.db2.gz OWCURMBGNOIJKV-UHFFFAOYSA-N -1 3 393.447 2.906 20 30 GFEDHM N#C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C(F)F ZINC000826379018 608386982 /nfs/dbraw/zinc/38/69/82/608386982.db2.gz HGYWNXOCFAZSCC-GFCCVEGCSA-N -1 3 394.345 2.857 20 30 GFEDHM N#C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C(F)F ZINC000826379018 608386984 /nfs/dbraw/zinc/38/69/84/608386984.db2.gz HGYWNXOCFAZSCC-GFCCVEGCSA-N -1 3 394.345 2.857 20 30 GFEDHM O=C(NCC#Cc1ccccc1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826432644 608392753 /nfs/dbraw/zinc/39/27/53/608392753.db2.gz HESPVYAGGXNETN-UHFFFAOYSA-N -1 3 384.443 2.717 20 30 GFEDHM O=C(NCC#Cc1ccccc1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826432644 608392755 /nfs/dbraw/zinc/39/27/55/608392755.db2.gz HESPVYAGGXNETN-UHFFFAOYSA-N -1 3 384.443 2.717 20 30 GFEDHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045641 608465503 /nfs/dbraw/zinc/46/55/03/608465503.db2.gz NSOWXHRCIWLBLO-OAHLLOKOSA-N -1 3 399.458 2.855 20 30 GFEDHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000824045641 608465505 /nfs/dbraw/zinc/46/55/05/608465505.db2.gz NSOWXHRCIWLBLO-OAHLLOKOSA-N -1 3 399.458 2.855 20 30 GFEDHM CON=Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826166477 608478503 /nfs/dbraw/zinc/47/85/03/608478503.db2.gz MCNGRUCRCUXXPH-UHFFFAOYSA-N -1 3 388.431 2.777 20 30 GFEDHM CON=Cc1ccc(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826166477 608478505 /nfs/dbraw/zinc/47/85/05/608478505.db2.gz MCNGRUCRCUXXPH-UHFFFAOYSA-N -1 3 388.431 2.777 20 30 GFEDHM COc1ccc(N2CCC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)CC2)cc1 ZINC000826209065 608535991 /nfs/dbraw/zinc/53/59/91/608535991.db2.gz LHEWYBMABJMDPS-UHFFFAOYSA-N -1 3 398.858 2.992 20 30 GFEDHM COc1ccc(N2CCC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)CC2)cc1 ZINC000826209065 608535993 /nfs/dbraw/zinc/53/59/93/608535993.db2.gz LHEWYBMABJMDPS-UHFFFAOYSA-N -1 3 398.858 2.992 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn(C)nc1C(C)(C)C ZINC000823914441 608665904 /nfs/dbraw/zinc/66/59/04/608665904.db2.gz ITGPBMREZVJORT-UHFFFAOYSA-N -1 3 379.468 2.726 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn(C)nc1C(C)(C)C ZINC000823914441 608665907 /nfs/dbraw/zinc/66/59/07/608665907.db2.gz ITGPBMREZVJORT-UHFFFAOYSA-N -1 3 379.468 2.726 20 30 GFEDHM Cn1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359952 609310408 /nfs/dbraw/zinc/31/04/08/609310408.db2.gz TZLMXGKPPHBYJI-UVTDQMKNSA-N -1 3 399.414 2.580 20 30 GFEDHM Cn1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359952 609310410 /nfs/dbraw/zinc/31/04/10/609310410.db2.gz TZLMXGKPPHBYJI-UVTDQMKNSA-N -1 3 399.414 2.580 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1Cc1ccccc1 ZINC000823878251 609370584 /nfs/dbraw/zinc/37/05/84/609370584.db2.gz UFHXHKMJEOMAAI-UHFFFAOYSA-N -1 3 393.495 2.780 20 30 GFEDHM C=C(C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccccc1 ZINC000823878251 609370586 /nfs/dbraw/zinc/37/05/86/609370586.db2.gz UFHXHKMJEOMAAI-UHFFFAOYSA-N -1 3 393.495 2.780 20 30 GFEDHM COC(=O)COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000826138353 609442202 /nfs/dbraw/zinc/44/22/02/609442202.db2.gz QVRTXVYPMGIWKA-GDNBJRDFSA-N -1 3 390.399 2.631 20 30 GFEDHM COC(=O)COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000826138353 609442203 /nfs/dbraw/zinc/44/22/03/609442203.db2.gz QVRTXVYPMGIWKA-GDNBJRDFSA-N -1 3 390.399 2.631 20 30 GFEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823861931 609527476 /nfs/dbraw/zinc/52/74/76/609527476.db2.gz UBVZTZKIMKKGPF-UHFFFAOYSA-N -1 3 387.852 2.717 20 30 GFEDHM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823861931 609527479 /nfs/dbraw/zinc/52/74/79/609527479.db2.gz UBVZTZKIMKKGPF-UHFFFAOYSA-N -1 3 387.852 2.717 20 30 GFEDHM C=CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccncc1 ZINC000823887844 609546733 /nfs/dbraw/zinc/54/67/33/609546733.db2.gz ABYPOCVAMUJBLH-AWEZNQCLSA-N -1 3 390.856 2.511 20 30 GFEDHM C=CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccncc1 ZINC000823887844 609546734 /nfs/dbraw/zinc/54/67/34/609546734.db2.gz ABYPOCVAMUJBLH-AWEZNQCLSA-N -1 3 390.856 2.511 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826385812 609558459 /nfs/dbraw/zinc/55/84/59/609558459.db2.gz BSUZMGGJPGKRFM-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826385812 609558462 /nfs/dbraw/zinc/55/84/62/609558462.db2.gz BSUZMGGJPGKRFM-UHFFFAOYSA-N -1 3 396.215 2.813 20 30 GFEDHM O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@@H]1CCN([O-])C1=O ZINC000820156411 660283132 /nfs/dbraw/zinc/28/31/32/660283132.db2.gz IBPJGBGNCQXIND-GFCCVEGCSA-N -1 3 386.260 2.766 20 30 GFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831365161 660708860 /nfs/dbraw/zinc/70/88/60/660708860.db2.gz VWVGPTSLPVVMKY-CABZTGNLSA-N -1 3 395.706 2.757 20 30 GFEDHM N#CC1(COC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000837384063 660991634 /nfs/dbraw/zinc/99/16/34/660991634.db2.gz RSDMFIUHGXMIRI-UHFFFAOYSA-N -1 3 391.276 2.899 20 30 GFEDHM C[C@@H]([N-]C(=O)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475440 655376602 /nfs/dbraw/zinc/37/66/02/655376602.db2.gz YXNHBXDGRNBPKJ-MLUIRONXSA-N -1 3 378.219 2.751 20 30 GFEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)c2nccn21 ZINC000578114162 655472798 /nfs/dbraw/zinc/47/27/98/655472798.db2.gz KOFGKZWIKBGUPB-PELKAZGASA-N -1 3 399.245 2.641 20 30 GFEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC000730810318 655578244 /nfs/dbraw/zinc/57/82/44/655578244.db2.gz HOEKEUSVSWGWEI-UHFFFAOYSA-N -1 3 399.241 2.947 20 30 GFEDHM NC(=O)c1ccccc1N1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000732529450 655597503 /nfs/dbraw/zinc/59/75/03/655597503.db2.gz XCXYIIOAKOECSD-LKEIMFIWSA-N -1 3 388.265 2.951 20 30 GFEDHM C=C(Br)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000751370419 655825834 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C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](SC)C(C)(C)C)ccc1F ZINC000784159056 657292929 /nfs/dbraw/zinc/29/29/29/657292929.db2.gz IQPCWNFYOGYZBK-HNNXBMFYSA-N -1 3 388.530 2.798 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)Br)cc1C(F)(F)F ZINC000808572815 659898981 /nfs/dbraw/zinc/89/89/81/659898981.db2.gz DUWQESAYRZUHAT-UHFFFAOYSA-N -1 3 393.131 2.843 20 30 GFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000811838349 660016640 /nfs/dbraw/zinc/01/66/40/660016640.db2.gz FIFGNKLXYPGVOH-OAHLLOKOSA-N -1 3 383.267 2.794 20 30 GFEDHM C=C[C@H](C)O[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000846546874 661556190 /nfs/dbraw/zinc/55/61/90/661556190.db2.gz ZOCUOGPTSRXJEE-ZANVPECISA-N -1 3 386.235 2.821 20 30 GFEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000867322996 662542392 /nfs/dbraw/zinc/54/23/92/662542392.db2.gz YFFGRLGFTPVQBS-RBZFPXEDSA-N -1 3 393.328 2.542 20 30 GFEDHM O=C(Nc1nc2c(cccc2Br)s1)N[C@@H]1CCCN([O-])C1=O ZINC000879560826 662929560 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N#Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(I)c1 ZINC000932550765 664826364 /nfs/dbraw/zinc/82/63/64/664826364.db2.gz GWENWLXMXATRIT-GFCCVEGCSA-N -1 3 387.177 2.743 20 30 GFEDHM N#CC1(C(=O)Nc2cc(I)ccc2[O-])CCSCC1 ZINC000935106497 664940077 /nfs/dbraw/zinc/94/00/77/664940077.db2.gz ISRPXWFNFPYGEC-UHFFFAOYSA-N -1 3 388.230 2.972 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c(F)c1 ZINC000151078179 551407086 /nfs/dbraw/zinc/40/70/86/551407086.db2.gz RZRHDZNBKCUPGO-UHFFFAOYSA-N -1 3 375.244 3.000 20 30 GFEDHM CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157644301 551540513 /nfs/dbraw/zinc/54/05/13/551540513.db2.gz MCJDZYIIEUCSHR-STQMWFEESA-N -1 3 383.901 2.573 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ncc(C)s2)ccc1F ZINC000177870160 552160537 /nfs/dbraw/zinc/16/05/37/552160537.db2.gz PGULEDJHLVVCBK-LLVKDONJSA-N -1 3 383.470 2.546 20 30 GFEDHM COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000180033092 552210477 /nfs/dbraw/zinc/21/04/77/552210477.db2.gz 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CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC2 ZINC000370105622 563233343 /nfs/dbraw/zinc/23/33/43/563233343.db2.gz PTRRIQCEOKKFSJ-CQSZACIVSA-N -1 3 378.885 2.825 20 30 GFEDHM Cc1noc(C2CCC([N-]S(=O)(=O)c3cccc(Cl)c3C#N)CC2)n1 ZINC000370982501 563261922 /nfs/dbraw/zinc/26/19/22/563261922.db2.gz NYFWHYMVVQFBTM-UHFFFAOYSA-N -1 3 380.857 2.908 20 30 GFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCN(Cc2cscn2)CC1 ZINC000372164057 563297989 /nfs/dbraw/zinc/29/79/89/563297989.db2.gz SPJCXOCHGVXYKE-UHFFFAOYSA-N -1 3 396.925 2.611 20 30 GFEDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000373520750 563340959 /nfs/dbraw/zinc/34/09/59/563340959.db2.gz IVIIZRZRENDGLL-LBPRGKRZSA-N -1 3 379.873 2.690 20 30 GFEDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Cl)c1 ZINC000427748241 563474059 /nfs/dbraw/zinc/47/40/59/563474059.db2.gz XPEDRTUDACLEEE-UHFFFAOYSA-N -1 3 379.825 2.811 20 30 GFEDHM CC(C)([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Br)cc1 ZINC000428228118 563486320 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N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccccc2OC(F)(F)F)s1 ZINC000435420810 563649398 /nfs/dbraw/zinc/64/93/98/563649398.db2.gz FBXKOKBRXOWZTA-LLVKDONJSA-N -1 3 392.380 2.530 20 30 GFEDHM CCOc1cc(CCC[N-]S(=O)(=O)c2ccc(C#N)s2)ccc1OC ZINC000435432543 563650348 /nfs/dbraw/zinc/65/03/48/563650348.db2.gz NQJSRKBGGSDUFI-UHFFFAOYSA-N -1 3 380.491 2.938 20 30 GFEDHM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435432688 563650399 /nfs/dbraw/zinc/65/03/99/563650399.db2.gz OGJMNDNSUWZYDJ-CQSZACIVSA-N -1 3 398.893 2.726 20 30 GFEDHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1OCC ZINC000435437969 563651173 /nfs/dbraw/zinc/65/11/73/563651173.db2.gz MJOCJTZAFQYBIB-UHFFFAOYSA-N -1 3 380.491 2.938 20 30 GFEDHM N#Cc1c(Br)cccc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436879713 563683986 /nfs/dbraw/zinc/68/39/86/563683986.db2.gz HKVKCGYPNOPLNO-UHFFFAOYSA-N -1 3 386.249 2.989 20 30 GFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000414449949 563739029 /nfs/dbraw/zinc/73/90/29/563739029.db2.gz DRKYOMGHCNJQMT-LBPRGKRZSA-N -1 3 381.292 2.820 20 30 GFEDHM CC(C)n1cc2c(n1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC2 ZINC000443507045 563807293 /nfs/dbraw/zinc/80/72/93/563807293.db2.gz FYSFNSOJXDFSLE-OAHLLOKOSA-N -1 3 378.885 2.825 20 30 GFEDHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(C)C ZINC000416468327 563833839 /nfs/dbraw/zinc/83/38/39/563833839.db2.gz FRDLJDCQJVZGBP-CYBMUJFWSA-N -1 3 375.288 2.660 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000416481691 563835607 /nfs/dbraw/zinc/83/56/07/563835607.db2.gz DFFOILFXNYIVOQ-UHFFFAOYSA-N -1 3 383.189 2.940 20 30 GFEDHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)n1 ZINC000416480529 563835984 /nfs/dbraw/zinc/83/59/84/563835984.db2.gz RTFMNCPYJTVXTM-UHFFFAOYSA-N -1 3 394.294 2.935 20 30 GFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000416489514 563838074 /nfs/dbraw/zinc/83/80/74/563838074.db2.gz QLOXXJLBCSMSTR-UHFFFAOYSA-N -1 3 387.299 2.806 20 30 GFEDHM C=C1CCN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)CC1 ZINC000540055432 564239088 /nfs/dbraw/zinc/23/90/88/564239088.db2.gz HBRWLCCTUXDSQI-UHFFFAOYSA-N -1 3 394.212 2.925 20 30 GFEDHM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000540483012 564249558 /nfs/dbraw/zinc/24/95/58/564249558.db2.gz VNIPJEYSDBMDNF-AWEZNQCLSA-N -1 3 376.400 2.652 20 30 GFEDHM Cc1ccnc([C@H]([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)n1 ZINC000451370235 564305378 /nfs/dbraw/zinc/30/53/78/564305378.db2.gz TZVCBYBKTQUBBV-MRXNPFEDSA-N -1 3 376.869 2.934 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCN2CCc3ccccc32)c1 ZINC000475531380 564311487 /nfs/dbraw/zinc/31/14/87/564311487.db2.gz PLQDXAITWUIDTD-UHFFFAOYSA-N -1 3 375.881 2.943 20 30 GFEDHM COc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(Br)c1 ZINC000566388387 564325780 /nfs/dbraw/zinc/32/57/80/564325780.db2.gz SEAJEBBOYCCDDO-UHFFFAOYSA-N -1 3 382.239 2.834 20 30 GFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(N)=O)c2cccc(Cl)c2)c1 ZINC000476340943 564335951 /nfs/dbraw/zinc/33/59/51/564335951.db2.gz QHRAZKNFNTUYRL-CQSZACIVSA-N -1 3 398.271 2.760 20 30 GFEDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)o1 ZINC000451960243 564373267 /nfs/dbraw/zinc/37/32/67/564373267.db2.gz PFBWVVZBNWURRW-UHFFFAOYSA-N -1 3 384.255 2.740 20 30 GFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000481044857 564501668 /nfs/dbraw/zinc/50/16/68/564501668.db2.gz GUQJPUCHVWYBJT-UHFFFAOYSA-N -1 3 379.360 2.792 20 30 GFEDHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1OC ZINC000547789910 564511539 /nfs/dbraw/zinc/51/15/39/564511539.db2.gz RJEURVBNVWJHNI-UHFFFAOYSA-N -1 3 380.853 2.750 20 30 GFEDHM Cn1ccc([C@H]([N-]S(=O)(=O)CC2(C#N)CCC2)c2ccc(Cl)cc2)n1 ZINC000571426133 564550810 /nfs/dbraw/zinc/55/08/10/564550810.db2.gz HXQOUMAXIXGSLL-MRXNPFEDSA-N -1 3 378.885 2.776 20 30 GFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000571902940 564571558 /nfs/dbraw/zinc/57/15/58/564571558.db2.gz UIJIHHIMZOQAPD-UHFFFAOYSA-N -1 3 397.225 2.621 20 30 GFEDHM Cc1nccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1Br ZINC000527112201 564730461 /nfs/dbraw/zinc/73/04/61/564730461.db2.gz CPOKQEQNRMZBMG-UHFFFAOYSA-N -1 3 386.658 2.900 20 30 GFEDHM C=CCCCS(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000489693197 564749005 /nfs/dbraw/zinc/74/90/05/564749005.db2.gz WWLFCPYRNQUHEY-AWEZNQCLSA-N -1 3 377.293 2.984 20 30 GFEDHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cccc(C#N)c2)nc1C ZINC000465501678 564929094 /nfs/dbraw/zinc/92/90/94/564929094.db2.gz OJRGIIPRXAMGDE-LLVKDONJSA-N -1 3 379.463 2.539 20 30 GFEDHM CCOC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)C ZINC000561544399 565000272 /nfs/dbraw/zinc/00/02/72/565000272.db2.gz LDVATCZMGCTIMJ-CYBMUJFWSA-N -1 3 375.288 2.660 20 30 GFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)c1ccccn1 ZINC000589122571 565150867 /nfs/dbraw/zinc/15/08/67/565150867.db2.gz UIBAGGVRLLKMCN-SECBINFHSA-N -1 3 384.230 2.894 20 30 GFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccncc1 ZINC000591327524 565224231 /nfs/dbraw/zinc/22/42/31/565224231.db2.gz MHSOWIFKZBUESF-UHFFFAOYSA-N -1 3 394.294 2.972 20 30 GFEDHM C=CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](C)COC ZINC000617578015 565246786 /nfs/dbraw/zinc/24/67/86/565246786.db2.gz AOVUGGVBKJLMFK-NSHDSACASA-N -1 3 379.254 2.954 20 30 GFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1Oc1ccccc1 ZINC000593585119 565344759 /nfs/dbraw/zinc/34/47/59/565344759.db2.gz QXIRQIQACWFSNM-JJRVBVJISA-N -1 3 378.475 2.523 20 30 GFEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CSCCN1Cc1ccccc1 ZINC000593585500 565345388 /nfs/dbraw/zinc/34/53/88/565345388.db2.gz NXJBCPIVWCRZKQ-HNNXBMFYSA-N -1 3 393.559 2.516 20 30 GFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000593619852 565347659 /nfs/dbraw/zinc/34/76/59/565347659.db2.gz HRRUVXCODNIUPR-UHFFFAOYSA-N -1 3 388.243 2.720 20 30 GFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)s1 ZINC000619548286 565348005 /nfs/dbraw/zinc/34/80/05/565348005.db2.gz JEQMSMFLHKLPAR-GFCCVEGCSA-N -1 3 376.381 2.650 20 30 GFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C ZINC000594750986 565414015 /nfs/dbraw/zinc/41/40/15/565414015.db2.gz SLPMJOYAEQANPD-NSHDSACASA-N -1 3 379.507 2.663 20 30 GFEDHM COC(=O)[C@](C)([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594755704 565415583 /nfs/dbraw/zinc/41/55/83/565415583.db2.gz ZBRWWIHIGRXQNG-QGZVFWFLSA-N -1 3 378.475 2.701 20 30 GFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)[C@H]1OC ZINC000594767091 565417710 /nfs/dbraw/zinc/41/77/10/565417710.db2.gz BHCOHRSNZQYQCJ-SQWLQELKSA-N -1 3 380.491 2.552 20 30 GFEDHM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773961 565419108 /nfs/dbraw/zinc/41/91/08/565419108.db2.gz UGEVIVRVOGNQRF-JQWIXIFHSA-N -1 3 380.491 2.947 20 30 GFEDHM Cn1nc2c(c1S(=O)(=O)[N-]c1cccc(C#N)c1Br)CCCC2 ZINC000601976611 565812211 /nfs/dbraw/zinc/81/22/11/565812211.db2.gz HOVZRLVXLPCULV-UHFFFAOYSA-N -1 3 395.282 2.734 20 30 GFEDHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)c3cccc(C#N)c3)cnc2c1Cl ZINC000611234055 566122997 /nfs/dbraw/zinc/12/29/97/566122997.db2.gz TUVLSEAMNXBTAU-SNVBAGLBSA-N -1 3 375.841 2.602 20 30 GFEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000737677070 598826096 /nfs/dbraw/zinc/82/60/96/598826096.db2.gz YXMXYQCTOIJBBD-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000737677070 598826097 /nfs/dbraw/zinc/82/60/97/598826097.db2.gz YXMXYQCTOIJBBD-AWEZNQCLSA-N -1 3 383.209 2.624 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sccc2-c2nnn[n-]2)c1C ZINC000737503399 598839280 /nfs/dbraw/zinc/83/92/80/598839280.db2.gz JARMQIHQSGFTMI-UHFFFAOYSA-N -1 3 390.432 2.855 20 30 GFEDHM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2sccc2-c2nn[n-]n2)c1C ZINC000737503399 598839281 /nfs/dbraw/zinc/83/92/81/598839281.db2.gz JARMQIHQSGFTMI-UHFFFAOYSA-N -1 3 390.432 2.855 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000736037417 598884589 /nfs/dbraw/zinc/88/45/89/598884589.db2.gz GTDSIZWPOFRTAR-UONOGXRCSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000736041204 598887764 /nfs/dbraw/zinc/88/77/64/598887764.db2.gz UMMZXVSPKAVNRZ-UONOGXRCSA-N -1 3 393.403 2.516 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000736041204 598887765 /nfs/dbraw/zinc/88/77/65/598887765.db2.gz UMMZXVSPKAVNRZ-UONOGXRCSA-N -1 3 393.403 2.516 20 30 GFEDHM CCOc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736651186 598914056 /nfs/dbraw/zinc/91/40/56/598914056.db2.gz MYJGCEIMDJLZDG-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM CCOc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736651186 598914057 /nfs/dbraw/zinc/91/40/57/598914057.db2.gz MYJGCEIMDJLZDG-UHFFFAOYSA-N -1 3 392.419 2.935 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Br)cc2F)cc1-c1nnn[n-]1 ZINC000737718765 598914647 /nfs/dbraw/zinc/91/46/47/598914647.db2.gz MUBBNIQPFWMXLG-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1ccc(NC(=O)c2ccc(Br)cc2F)cc1-c1nn[n-]n1 ZINC000737718765 598914648 /nfs/dbraw/zinc/91/46/48/598914648.db2.gz MUBBNIQPFWMXLG-UHFFFAOYSA-N -1 3 387.172 2.892 20 30 GFEDHM N#Cc1cc(NC(=O)c2csc(Br)c2)ccc1-c1nnn[n-]1 ZINC000737710166 598917372 /nfs/dbraw/zinc/91/73/72/598917372.db2.gz RUNCHIWPQSUATA-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM N#Cc1cc(NC(=O)c2csc(Br)c2)ccc1-c1nn[n-]n1 ZINC000737710166 598917374 /nfs/dbraw/zinc/91/73/74/598917374.db2.gz RUNCHIWPQSUATA-UHFFFAOYSA-N -1 3 375.211 2.815 20 30 GFEDHM Fc1ccc(N2CCC(=NNCc3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000822779604 607252905 /nfs/dbraw/zinc/25/29/05/607252905.db2.gz YIUWGOCDSXMDKX-UHFFFAOYSA-N -1 3 383.406 2.891 20 30 GFEDHM Fc1ccc(N2CCC(=NNCc3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000822779604 607252906 /nfs/dbraw/zinc/25/29/06/607252906.db2.gz YIUWGOCDSXMDKX-UHFFFAOYSA-N -1 3 383.406 2.891 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1-c1nnn[n-]1 ZINC000737709734 598921624 /nfs/dbraw/zinc/92/16/24/598921624.db2.gz QAQKEACHDNQJBG-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM N#Cc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1-c1nn[n-]n1 ZINC000737709734 598921625 /nfs/dbraw/zinc/92/16/25/598921625.db2.gz QAQKEACHDNQJBG-UHFFFAOYSA-N -1 3 383.209 2.682 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736508452 598969649 /nfs/dbraw/zinc/96/96/49/598969649.db2.gz LYMYRHQTBCLYFT-CQSZACIVSA-N -1 3 396.476 2.651 20 30 GFEDHM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736508452 598969650 /nfs/dbraw/zinc/96/96/50/598969650.db2.gz LYMYRHQTBCLYFT-CQSZACIVSA-N -1 3 396.476 2.651 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000736508474 598969673 /nfs/dbraw/zinc/96/96/73/598969673.db2.gz MRNODHCCKGHLLP-AWEZNQCLSA-N -1 3 396.476 2.651 20 30 GFEDHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000736508474 598969674 /nfs/dbraw/zinc/96/96/74/598969674.db2.gz MRNODHCCKGHLLP-AWEZNQCLSA-N -1 3 396.476 2.651 20 30 GFEDHM N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)cn1 ZINC000737708282 598989897 /nfs/dbraw/zinc/98/98/97/598989897.db2.gz BVYBAQHVWGHXJN-UHFFFAOYSA-N -1 3 381.399 2.980 20 30 GFEDHM N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)cn1 ZINC000737708282 598989899 /nfs/dbraw/zinc/98/98/99/598989899.db2.gz BVYBAQHVWGHXJN-UHFFFAOYSA-N -1 3 381.399 2.980 20 30 GFEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)c2)cc1 ZINC000737721034 599003458 /nfs/dbraw/zinc/00/34/58/599003458.db2.gz FWCBWZAWTLMGFV-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)c2)cc1 ZINC000737721034 599003461 /nfs/dbraw/zinc/00/34/61/599003461.db2.gz FWCBWZAWTLMGFV-UHFFFAOYSA-N -1 3 397.398 2.965 20 30 GFEDHM CC[C@](C)(C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315460 599026452 /nfs/dbraw/zinc/02/64/52/599026452.db2.gz YQWYXZIHAAFMCE-HXUWFJFHSA-N -1 3 376.420 2.868 20 30 GFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1N1CCOCC1 ZINC000737794068 599063991 /nfs/dbraw/zinc/06/39/91/599063991.db2.gz BCPOBEQJPSMUAS-TWGQIWQCSA-N -1 3 379.395 2.739 20 30 GFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1N1CCOCC1 ZINC000737794068 599063994 /nfs/dbraw/zinc/06/39/94/599063994.db2.gz BCPOBEQJPSMUAS-TWGQIWQCSA-N -1 3 379.395 2.739 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cccc(C)c2C)cc1-c1nnn[n-]1 ZINC000737082065 599126398 /nfs/dbraw/zinc/12/63/98/599126398.db2.gz TWKOAMRFKWUSAC-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM COc1ccc(C=NNC(=S)Nc2cccc(C)c2C)cc1-c1nn[n-]n1 ZINC000737082065 599126399 /nfs/dbraw/zinc/12/63/99/599126399.db2.gz TWKOAMRFKWUSAC-UHFFFAOYSA-N -1 3 381.465 2.813 20 30 GFEDHM Cc1c(C(C)N=Nc2ccc(Cl)nn2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735451344 599148322 /nfs/dbraw/zinc/14/83/22/599148322.db2.gz YIFSGJMIERSKGF-UHFFFAOYSA-N -1 3 394.830 2.640 20 30 GFEDHM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736330820 599151398 /nfs/dbraw/zinc/15/13/98/599151398.db2.gz ZMZFDYFCUFZOGV-LRDDRELGSA-N -1 3 389.419 2.736 20 30 GFEDHM COc1ccc(C=C2COc3c(OC)cc(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737083457 599155769 /nfs/dbraw/zinc/15/57/69/599155769.db2.gz ORDBJUOJNDKMOJ-MDWZMJQESA-N -1 3 378.388 2.851 20 30 GFEDHM COc1ccc(C=C2COc3c(OC)cc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737083457 599155772 /nfs/dbraw/zinc/15/57/72/599155772.db2.gz ORDBJUOJNDKMOJ-MDWZMJQESA-N -1 3 378.388 2.851 20 30 GFEDHM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735664019 599193141 /nfs/dbraw/zinc/19/31/41/599193141.db2.gz DPPRLTPHEMHBGE-UHFFFAOYSA-N -1 3 399.455 2.760 20 30 GFEDHM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735664019 599193144 /nfs/dbraw/zinc/19/31/44/599193144.db2.gz DPPRLTPHEMHBGE-UHFFFAOYSA-N -1 3 399.455 2.760 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735410285 599218416 /nfs/dbraw/zinc/21/84/16/599218416.db2.gz YYDQYHQXRDLPOL-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735410285 599218417 /nfs/dbraw/zinc/21/84/17/599218417.db2.gz YYDQYHQXRDLPOL-CYBMUJFWSA-N -1 3 392.419 2.678 20 30 GFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000735450806 599284991 /nfs/dbraw/zinc/28/49/91/599284991.db2.gz DPOVHETUWVDQME-IBGZPJMESA-N -1 3 377.452 2.556 20 30 GFEDHM N#CCn1c(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000737705950 598288969 /nfs/dbraw/zinc/28/89/69/598288969.db2.gz RRXCGXWGVYSXOD-UHFFFAOYSA-N -1 3 388.387 2.581 20 30 GFEDHM N#CCn1c(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000737705950 598288971 /nfs/dbraw/zinc/28/89/71/598288971.db2.gz RRXCGXWGVYSXOD-UHFFFAOYSA-N -1 3 388.387 2.581 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000736183355 598382242 /nfs/dbraw/zinc/38/22/42/598382242.db2.gz KPUMLDNBSXXZDQ-ABAIWWIYSA-N -1 3 382.811 2.668 20 30 GFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000736183355 598382244 /nfs/dbraw/zinc/38/22/44/598382244.db2.gz KPUMLDNBSXXZDQ-ABAIWWIYSA-N -1 3 382.811 2.668 20 30 GFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735874454 598383892 /nfs/dbraw/zinc/38/38/92/598383892.db2.gz PABSTQAMXRHCRH-UHFFFAOYSA-N -1 3 375.436 2.587 20 30 GFEDHM C#CCOc1ccc([C@H](C)OC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380900 598417142 /nfs/dbraw/zinc/41/71/42/598417142.db2.gz NRFATERVPVNHMU-AWEZNQCLSA-N -1 3 378.388 2.562 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735381560 598417186 /nfs/dbraw/zinc/41/71/86/598417186.db2.gz VVPSJBFWTQPDSB-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1ccc([C@@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735381560 598417188 /nfs/dbraw/zinc/41/71/88/598417188.db2.gz VVPSJBFWTQPDSB-CABCVRRESA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735380278 598432005 /nfs/dbraw/zinc/43/20/05/598432005.db2.gz IDBPRQLVUDMKRC-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM C#CCOc1cccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735380278 598432007 /nfs/dbraw/zinc/43/20/07/598432007.db2.gz IDBPRQLVUDMKRC-GJZGRUSLSA-N -1 3 392.415 2.950 20 30 GFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2csc(-c3ccoc3)n2)nc1N ZINC000737706004 598492443 /nfs/dbraw/zinc/49/24/43/598492443.db2.gz UOQZQMCZVXVENA-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2csc(-c3ccoc3)n2)nc1N ZINC000737706004 598492445 /nfs/dbraw/zinc/49/24/45/598492445.db2.gz UOQZQMCZVXVENA-UHFFFAOYSA-N -1 3 382.434 2.724 20 30 GFEDHM CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1(C#N)CCC1 ZINC000736742571 598548250 /nfs/dbraw/zinc/54/82/50/598548250.db2.gz OWMLHAXPMCIHMX-UHFFFAOYSA-N -1 3 378.392 2.557 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737549248 598588976 /nfs/dbraw/zinc/58/89/76/598588976.db2.gz UDSWNLGEIXADIV-UHFFFAOYSA-N -1 3 377.339 2.822 20 30 GFEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737549248 598588978 /nfs/dbraw/zinc/58/89/78/598588978.db2.gz UDSWNLGEIXADIV-UHFFFAOYSA-N -1 3 377.339 2.822 20 30 GFEDHM C=CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735436347 598667589 /nfs/dbraw/zinc/66/75/89/598667589.db2.gz JOAKBOKCDHZNIN-CQSZACIVSA-N -1 3 379.420 2.515 20 30 GFEDHM N#Cc1ccc(OCCCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737721045 598714091 /nfs/dbraw/zinc/71/40/91/598714091.db2.gz GJHKGFNLDVQEPO-UHFFFAOYSA-N -1 3 395.444 2.843 20 30 GFEDHM N#Cc1ccc(OCCCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737721045 598714093 /nfs/dbraw/zinc/71/40/93/598714093.db2.gz GJHKGFNLDVQEPO-UHFFFAOYSA-N -1 3 395.444 2.843 20 30 GFEDHM N#CCn1cc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737704653 599567958 /nfs/dbraw/zinc/56/79/58/599567958.db2.gz IMDFZGZPFVPIAZ-UHFFFAOYSA-N -1 3 385.391 2.583 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)ccc1-c1nnn[n-]1 ZINC000822822904 599632241 /nfs/dbraw/zinc/63/22/41/599632241.db2.gz HKZOXZMHEDRVOD-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM N#Cc1cc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)ccc1-c1nn[n-]n1 ZINC000822822904 599632242 /nfs/dbraw/zinc/63/22/42/599632242.db2.gz HKZOXZMHEDRVOD-UHFFFAOYSA-N -1 3 398.386 2.918 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(C#N)ccc1F ZINC000819745498 599679421 /nfs/dbraw/zinc/67/94/21/599679421.db2.gz GPNHASIGYQOMFC-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc(C#N)ccc1F ZINC000819745498 599679422 /nfs/dbraw/zinc/67/94/22/599679422.db2.gz GPNHASIGYQOMFC-UHFFFAOYSA-N -1 3 391.410 2.775 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncc(CC)s1 ZINC000819745503 599679713 /nfs/dbraw/zinc/67/97/13/599679713.db2.gz GSPOUQAYSQHGDN-UHFFFAOYSA-N -1 3 383.481 2.783 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncc(CC)s1 ZINC000819745503 599679714 /nfs/dbraw/zinc/67/97/14/599679714.db2.gz GSPOUQAYSQHGDN-UHFFFAOYSA-N -1 3 383.481 2.783 20 30 GFEDHM C=CCC[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734508 607391484 /nfs/dbraw/zinc/39/14/84/607391484.db2.gz PLIPAEWBRCUYIW-KRWDZBQOSA-N -1 3 392.467 2.680 20 30 GFEDHM C=CCC[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734508 607391486 /nfs/dbraw/zinc/39/14/86/607391486.db2.gz PLIPAEWBRCUYIW-KRWDZBQOSA-N -1 3 392.467 2.680 20 30 GFEDHM CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737409606 600212617 /nfs/dbraw/zinc/21/26/17/600212617.db2.gz VDOZHMYJPMINQY-OXQOHEQNSA-N -1 3 386.411 2.981 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1NC(C)=O ZINC000821769398 607459736 /nfs/dbraw/zinc/45/97/36/607459736.db2.gz HGRBZNPXFRGTSG-FNORWQNLSA-N -1 3 381.367 2.869 20 30 GFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1NC(C)=O ZINC000821769398 607459737 /nfs/dbraw/zinc/45/97/37/607459737.db2.gz HGRBZNPXFRGTSG-FNORWQNLSA-N -1 3 381.367 2.869 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)nnn1-c1ccc(F)cc1 ZINC000822015462 607459932 /nfs/dbraw/zinc/45/99/32/607459932.db2.gz JUJJDRCWXSMSJS-RUDMXATFSA-N -1 3 393.357 2.930 20 30 GFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)nnn1-c1ccc(F)cc1 ZINC000822015462 607459933 /nfs/dbraw/zinc/45/99/33/607459933.db2.gz JUJJDRCWXSMSJS-RUDMXATFSA-N -1 3 393.357 2.930 20 30 GFEDHM COC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)[C@H](C)C2)cc1 ZINC000831389336 601313925 /nfs/dbraw/zinc/31/39/25/601313925.db2.gz GKDNYZAFMIONFR-QRWLVFNGSA-N -1 3 393.443 2.681 20 30 GFEDHM C=CCN(Cc1cccs1)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823919782 607570157 /nfs/dbraw/zinc/57/01/57/607570157.db2.gz QNURCIRWEDDLSS-UHFFFAOYSA-N -1 3 384.465 2.835 20 30 GFEDHM C=CCN(Cc1cccs1)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823919782 607570159 /nfs/dbraw/zinc/57/01/59/607570159.db2.gz QNURCIRWEDDLSS-UHFFFAOYSA-N -1 3 384.465 2.835 20 30 GFEDHM C[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1CNC(=O)[O-] ZINC000825919580 603716523 /nfs/dbraw/zinc/71/65/23/603716523.db2.gz PBFHFYMQAABLDG-UMVBOHGHSA-N -1 3 386.477 2.841 20 30 GFEDHM CC(C)(C(=O)[O-])[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000833415844 605178457 /nfs/dbraw/zinc/17/84/57/605178457.db2.gz YDQYDQXBRLVVIJ-SFHVURJKSA-N -1 3 386.473 2.774 20 30 GFEDHM N#Cc1ccc(C2=CCN(C[C@H](O)[C@H](Cc3ccccc3)NC(=O)[O-])CC2)cc1 ZINC000833971572 605439173 /nfs/dbraw/zinc/43/91/73/605439173.db2.gz KAPBBQAXLFRJJQ-VXKWHMMOSA-N -1 3 391.471 2.887 20 30 GFEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000822631627 606287864 /nfs/dbraw/zinc/28/78/64/606287864.db2.gz BPMSVWYZLTYJEO-LLVKDONJSA-N -1 3 376.207 2.507 20 30 GFEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000822631627 606287866 /nfs/dbraw/zinc/28/78/66/606287866.db2.gz BPMSVWYZLTYJEO-LLVKDONJSA-N -1 3 376.207 2.507 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000822801973 606301297 /nfs/dbraw/zinc/30/12/97/606301297.db2.gz SNYDPXHWVYWARO-AEFFLSMTSA-N -1 3 388.431 2.868 20 30 GFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000822801973 606301299 /nfs/dbraw/zinc/30/12/99/606301299.db2.gz SNYDPXHWVYWARO-AEFFLSMTSA-N -1 3 388.431 2.868 20 30 GFEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000821701470 606362921 /nfs/dbraw/zinc/36/29/21/606362921.db2.gz PQWMSZMSUNOKNQ-INIZCTEOSA-N -1 3 398.467 2.623 20 30 GFEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000821701470 606362922 /nfs/dbraw/zinc/36/29/22/606362922.db2.gz PQWMSZMSUNOKNQ-INIZCTEOSA-N -1 3 398.467 2.623 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000819759297 606369557 /nfs/dbraw/zinc/36/95/57/606369557.db2.gz SOKHHBYLJHRIQQ-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM C=CCOc1ccccc1C(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000819759297 606369559 /nfs/dbraw/zinc/36/95/59/606369559.db2.gz SOKHHBYLJHRIQQ-KRWDZBQOSA-N -1 3 394.387 2.503 20 30 GFEDHM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000821620790 606386813 /nfs/dbraw/zinc/38/68/13/606386813.db2.gz VYLYVCIECOQKRI-GNXRPPCSSA-N -1 3 394.485 2.843 20 30 GFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000820518892 606412283 /nfs/dbraw/zinc/41/22/83/606412283.db2.gz MXBKLRLZFKNQPB-LLVKDONJSA-N -1 3 382.811 2.822 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1OC ZINC000820843363 606512795 /nfs/dbraw/zinc/51/27/95/606512795.db2.gz XDRDXBAYMRQPTL-ZDUSSCGKSA-N -1 3 398.448 2.548 20 30 GFEDHM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1OC ZINC000820843363 606512796 /nfs/dbraw/zinc/51/27/96/606512796.db2.gz XDRDXBAYMRQPTL-ZDUSSCGKSA-N -1 3 398.448 2.548 20 30 GFEDHM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822810160 606660848 /nfs/dbraw/zinc/66/08/48/606660848.db2.gz CWPYZOFSAXTBTM-UHFFFAOYSA-N -1 3 382.815 2.863 20 30 GFEDHM N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822810160 606660849 /nfs/dbraw/zinc/66/08/49/606660849.db2.gz CWPYZOFSAXTBTM-UHFFFAOYSA-N -1 3 382.815 2.863 20 30 GFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000821406715 606770320 /nfs/dbraw/zinc/77/03/20/606770320.db2.gz JUFQFSFNHWNJGN-UHFFFAOYSA-N -1 3 392.423 2.608 20 30 GFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)Cc1ccccn1 ZINC000821406715 606770321 /nfs/dbraw/zinc/77/03/21/606770321.db2.gz JUFQFSFNHWNJGN-UHFFFAOYSA-N -1 3 392.423 2.608 20 30 GFEDHM N#Cc1cccc(OCCCSCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822837352 606841881 /nfs/dbraw/zinc/84/18/81/606841881.db2.gz KUDOVBXMPZXSAV-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM N#Cc1cccc(OCCCSCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822837352 606841882 /nfs/dbraw/zinc/84/18/82/606841882.db2.gz KUDOVBXMPZXSAV-UHFFFAOYSA-N -1 3 394.460 2.879 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819740412 606889645 /nfs/dbraw/zinc/88/96/45/606889645.db2.gz ZFVRYWQFGYXARE-UHFFFAOYSA-N -1 3 397.451 2.902 20 30 GFEDHM C=CCN(CC1CCCCC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819740412 606889646 /nfs/dbraw/zinc/88/96/46/606889646.db2.gz ZFVRYWQFGYXARE-UHFFFAOYSA-N -1 3 397.451 2.902 20 30 GFEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)C1 ZINC000820643636 606902105 /nfs/dbraw/zinc/90/21/05/606902105.db2.gz XTVCFJUBBNLIEE-UHFFFAOYSA-N -1 3 375.392 2.932 20 30 GFEDHM CC1CC(C#N)(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)C1 ZINC000820643636 606902107 /nfs/dbraw/zinc/90/21/07/606902107.db2.gz XTVCFJUBBNLIEE-UHFFFAOYSA-N -1 3 375.392 2.932 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000819745767 606920209 /nfs/dbraw/zinc/92/02/09/606920209.db2.gz REUFHTLRXPWRAY-SFHVURJKSA-N -1 3 396.495 2.624 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)CC[C@@H](CC(C)C)C1=O ZINC000819745767 606920211 /nfs/dbraw/zinc/92/02/11/606920211.db2.gz REUFHTLRXPWRAY-SFHVURJKSA-N -1 3 396.495 2.624 20 30 GFEDHM N#Cc1cc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822819262 606995535 /nfs/dbraw/zinc/99/55/35/606995535.db2.gz NUPFEKQEKAAXFJ-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1cc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822819262 606995537 /nfs/dbraw/zinc/99/55/37/606995537.db2.gz NUPFEKQEKAAXFJ-UHFFFAOYSA-N -1 3 383.408 2.854 20 30 GFEDHM N#Cc1ccc(F)cc1COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000822829614 607082858 /nfs/dbraw/zinc/08/28/58/607082858.db2.gz AHRBFJWWPOCBHL-GOSISDBHSA-N -1 3 392.394 2.590 20 30 GFEDHM N#Cc1ccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cc3Cl)C2=O)cc1 ZINC000822829726 607124245 /nfs/dbraw/zinc/12/42/45/607124245.db2.gz GGSRPSNZUNGVBR-MRXNPFEDSA-N -1 3 379.811 2.609 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819710241 607202276 /nfs/dbraw/zinc/20/22/76/607202276.db2.gz ZRYYRCMABPAJCX-UHFFFAOYSA-N -1 3 382.811 2.854 20 30 GFEDHM C#CCOc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819710241 607202277 /nfs/dbraw/zinc/20/22/77/607202277.db2.gz ZRYYRCMABPAJCX-UHFFFAOYSA-N -1 3 382.811 2.854 20 30 GFEDHM C=CCCO[C@H](C)C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819740047 607239409 /nfs/dbraw/zinc/23/94/09/607239409.db2.gz MPLDFWOCRQPOOF-SECBINFHSA-N -1 3 397.229 2.524 20 30 GFEDHM C=CCCO[C@H](C)C(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000819740047 607239410 /nfs/dbraw/zinc/23/94/10/607239410.db2.gz MPLDFWOCRQPOOF-SECBINFHSA-N -1 3 397.229 2.524 20 30 GFEDHM Cc1nc(SCC(=O)Oc2ccc(C#N)cc2F)c(-c2nnn[n-]2)c(C)c1C ZINC000822453874 607245450 /nfs/dbraw/zinc/24/54/50/607245450.db2.gz PHVHMVJFVTXUJS-UHFFFAOYSA-N -1 3 398.423 2.895 20 30 GFEDHM Cc1nc(SCC(=O)Oc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c(C)c1C ZINC000822453874 607245451 /nfs/dbraw/zinc/24/54/51/607245451.db2.gz PHVHMVJFVTXUJS-UHFFFAOYSA-N -1 3 398.423 2.895 20 30 GFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CCOCC)CC1 ZINC000823909847 607782092 /nfs/dbraw/zinc/78/20/92/607782092.db2.gz SATGVQVIZABVPX-UHFFFAOYSA-N -1 3 384.484 2.771 20 30 GFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CCOCC)CC1 ZINC000823909847 607782093 /nfs/dbraw/zinc/78/20/93/607782093.db2.gz SATGVQVIZABVPX-UHFFFAOYSA-N -1 3 384.484 2.771 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000826011022 607842994 /nfs/dbraw/zinc/84/29/94/607842994.db2.gz UJTQEEAAQYZOED-VMPITWQZSA-N -1 3 377.379 2.811 20 30 GFEDHM CN1C(=O)CCc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000826011022 607842995 /nfs/dbraw/zinc/84/29/95/607842995.db2.gz UJTQEEAAQYZOED-VMPITWQZSA-N -1 3 377.379 2.811 20 30 GFEDHM C=CCn1c(C2CC2)nn(CN(C)c2ccc(-c3nn[n-]n3)cc2F)c1=S ZINC000823936994 607847288 /nfs/dbraw/zinc/84/72/88/607847288.db2.gz CVBDBRFCMZYSJW-UHFFFAOYSA-N -1 3 386.460 2.891 20 30 GFEDHM C=C[C@H](CC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883279 607980967 /nfs/dbraw/zinc/98/09/67/607980967.db2.gz NBVZVHVVPAXYFU-KUHUBIRLSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@H](CC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883279 607980968 /nfs/dbraw/zinc/98/09/68/607980968.db2.gz NBVZVHVVPAXYFU-KUHUBIRLSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883301 607981048 /nfs/dbraw/zinc/98/10/48/607981048.db2.gz NVTKLSVHGBAIIT-LIRRHRJNSA-N -1 3 392.415 2.984 20 30 GFEDHM C=C[C@@H](CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883301 607981049 /nfs/dbraw/zinc/98/10/49/607981049.db2.gz NVTKLSVHGBAIIT-LIRRHRJNSA-N -1 3 392.415 2.984 20 30 GFEDHM C[C@@]1(C#N)CCCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000824776538 608140156 /nfs/dbraw/zinc/14/01/56/608140156.db2.gz CEKOWISSDWGQKG-FQEVSTJZSA-N -1 3 392.419 2.805 20 30 GFEDHM C[C@@]1(C#N)CCCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000824776538 608140157 /nfs/dbraw/zinc/14/01/57/608140157.db2.gz CEKOWISSDWGQKG-FQEVSTJZSA-N -1 3 392.419 2.805 20 30 GFEDHM COC[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826147759 608146966 /nfs/dbraw/zinc/14/69/66/608146966.db2.gz LFTRXUWAXXMCCX-INIZCTEOSA-N -1 3 379.376 2.663 20 30 GFEDHM COC[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000826147759 608146967 /nfs/dbraw/zinc/14/69/67/608146967.db2.gz LFTRXUWAXXMCCX-INIZCTEOSA-N -1 3 379.376 2.663 20 30 GFEDHM C=CCN(Cc1c(C(C)C)nn(C)c1N(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914181 608631154 /nfs/dbraw/zinc/63/11/54/608631154.db2.gz CPJCSSICTGOQJN-UHFFFAOYSA-N -1 3 394.527 2.978 20 30 GFEDHM CC1(C#N)CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000824777995 609173317 /nfs/dbraw/zinc/17/33/17/609173317.db2.gz MMSICSHPQDJKRD-UHFFFAOYSA-N -1 3 389.419 2.820 20 30 GFEDHM CC1(C#N)CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000824777995 609173319 /nfs/dbraw/zinc/17/33/19/609173319.db2.gz MMSICSHPQDJKRD-UHFFFAOYSA-N -1 3 389.419 2.820 20 30 GFEDHM N#CC1(c2ccc(COC(=O)COc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826380459 609244904 /nfs/dbraw/zinc/24/49/04/609244904.db2.gz BCUSIEWDOULMMA-UHFFFAOYSA-N -1 3 375.388 2.544 20 30 GFEDHM N#CC1(c2ccc(COC(=O)COc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826380459 609244906 /nfs/dbraw/zinc/24/49/06/609244906.db2.gz BCUSIEWDOULMMA-UHFFFAOYSA-N -1 3 375.388 2.544 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953510 609276993 /nfs/dbraw/zinc/27/69/93/609276993.db2.gz DBJDCWMRRZTZJX-UHFFFAOYSA-N -1 3 398.471 2.782 20 30 GFEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953510 609276994 /nfs/dbraw/zinc/27/69/94/609276994.db2.gz DBJDCWMRRZTZJX-UHFFFAOYSA-N -1 3 398.471 2.782 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823872771 609349355 /nfs/dbraw/zinc/34/93/55/609349355.db2.gz DIAMMTCIHYGDAG-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM C=C(C)CN(C)C(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823872771 609349357 /nfs/dbraw/zinc/34/93/57/609349357.db2.gz DIAMMTCIHYGDAG-UHFFFAOYSA-N -1 3 392.419 2.632 20 30 GFEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000824753563 609451974 /nfs/dbraw/zinc/45/19/74/609451974.db2.gz FAKKZRNICHHMPI-VIFPVBQESA-N -1 3 384.387 2.738 20 30 GFEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000824753563 609451976 /nfs/dbraw/zinc/45/19/76/609451976.db2.gz FAKKZRNICHHMPI-VIFPVBQESA-N -1 3 384.387 2.738 20 30 GFEDHM N#Cc1ccccc1CSCCNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826387333 609458114 /nfs/dbraw/zinc/45/81/14/609458114.db2.gz QARJMJKUVSCFRR-UHFFFAOYSA-N -1 3 376.449 2.731 20 30 GFEDHM N#Cc1ccccc1CSCCNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826387333 609458115 /nfs/dbraw/zinc/45/81/15/609458115.db2.gz QARJMJKUVSCFRR-UHFFFAOYSA-N -1 3 376.449 2.731 20 30 GFEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000823958600 609471346 /nfs/dbraw/zinc/47/13/46/609471346.db2.gz SCSUWMWLXPFVGZ-UHFFFAOYSA-N -1 3 383.799 2.687 20 30 GFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000823958600 609471347 /nfs/dbraw/zinc/47/13/47/609471347.db2.gz SCSUWMWLXPFVGZ-UHFFFAOYSA-N -1 3 383.799 2.687 20 30 GFEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823909640 609570491 /nfs/dbraw/zinc/57/04/91/609570491.db2.gz MDSUEQVMARFXGP-UHFFFAOYSA-N -1 3 393.856 2.533 20 30 GFEDHM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823909640 609570493 /nfs/dbraw/zinc/57/04/93/609570493.db2.gz MDSUEQVMARFXGP-UHFFFAOYSA-N -1 3 393.856 2.533 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2=O)cc1 ZINC000826385636 609575552 /nfs/dbraw/zinc/57/55/52/609575552.db2.gz VCGAVWYJVYFSPI-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM N#Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2=O)cc1 ZINC000826385636 609575554 /nfs/dbraw/zinc/57/55/54/609575554.db2.gz VCGAVWYJVYFSPI-KRWDZBQOSA-N -1 3 393.838 2.999 20 30 GFEDHM Cc1cc(C(=O)Nc2cccc(C#N)c2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826234049 609579446 /nfs/dbraw/zinc/57/94/46/609579446.db2.gz GIQBKEMKICYTMT-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1cc(C(=O)Nc2cccc(C#N)c2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826234049 609579448 /nfs/dbraw/zinc/57/94/48/609579448.db2.gz GIQBKEMKICYTMT-UHFFFAOYSA-N -1 3 384.403 2.793 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@H](c3cccc(C#N)c3)C2)c1-c1nnn[n-]1 ZINC000826238635 609582915 /nfs/dbraw/zinc/58/29/15/609582915.db2.gz LQISWGKCIRXTOK-HNNXBMFYSA-N -1 3 381.827 2.673 20 30 GFEDHM Cc1c(Cl)cnc(N2CCO[C@H](c3cccc(C#N)c3)C2)c1-c1nn[n-]n1 ZINC000826238635 609582918 /nfs/dbraw/zinc/58/29/18/609582918.db2.gz LQISWGKCIRXTOK-HNNXBMFYSA-N -1 3 381.827 2.673 20 30 GFEDHM CCCC(C#N)(CCC)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825224672 609593277 /nfs/dbraw/zinc/59/32/77/609593277.db2.gz BAVJSQWRBGJMDM-UHFFFAOYSA-N -1 3 392.467 2.953 20 30 GFEDHM CCCC(C#N)(CCC)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825224672 609593279 /nfs/dbraw/zinc/59/32/79/609593279.db2.gz BAVJSQWRBGJMDM-UHFFFAOYSA-N -1 3 392.467 2.953 20 30 GFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000831365162 660708878 /nfs/dbraw/zinc/70/88/78/660708878.db2.gz VWVGPTSLPVVMKY-JOYOIKCWSA-N -1 3 395.706 2.757 20 30 GFEDHM CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc([O-])cc1F ZINC000729931553 655570382 /nfs/dbraw/zinc/57/03/82/655570382.db2.gz LQGYSDDXYDUNGO-UHFFFAOYSA-N -1 3 387.230 2.996 20 30 GFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(CC)(CC)SC)ccc1F ZINC000742844277 655722706 /nfs/dbraw/zinc/72/27/06/655722706.db2.gz KJYAVVAXQNSGGR-UHFFFAOYSA-N -1 3 388.530 2.942 20 30 GFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ncc(Br)s1 ZINC000756895267 655906695 /nfs/dbraw/zinc/90/66/95/655906695.db2.gz KDELXZGHTRBWJQ-UHFFFAOYSA-N -1 3 388.312 2.792 20 30 GFEDHM CC(N=Nc1ccc(S(=O)(=O)NC2CCCC2)cn1)c1sccc1[O-] ZINC000769780921 656291028 /nfs/dbraw/zinc/29/10/28/656291028.db2.gz LWMAILOOVPMPKO-UHFFFAOYSA-N -1 3 380.495 2.906 20 30 GFEDHM COc1cc(C=NOC2CCOCC2)cc(I)c1[O-] ZINC000774435950 656528382 /nfs/dbraw/zinc/52/83/82/656528382.db2.gz LZLQABFCMQUPED-UHFFFAOYSA-N -1 3 377.178 2.535 20 30 GFEDHM COc1cc(Br)ccc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000781588620 657065350 /nfs/dbraw/zinc/06/53/50/657065350.db2.gz VYUVMDWERLASPW-UHFFFAOYSA-N -1 3 383.267 2.911 20 30 GFEDHM COC(=O)c1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)on1 ZINC000814767580 660095176 /nfs/dbraw/zinc/09/51/76/660095176.db2.gz MGCJGCLCKXMTSK-UHFFFAOYSA-N -1 3 375.435 2.516 20 30 GFEDHM Cc1csc(SCc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)n1 ZINC000816756010 660168262 /nfs/dbraw/zinc/16/82/62/660168262.db2.gz NZFGDMYUAMSALO-AWEZNQCLSA-N -1 3 377.491 2.854 20 30 GFEDHM Cc1onc(-c2cccc(Br)c2)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848134476 661627408 /nfs/dbraw/zinc/62/74/08/661627408.db2.gz AGYNIFKJQHJEHX-GFCCVEGCSA-N -1 3 394.225 2.523 20 30 GFEDHM C#C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C1CCOCC1 ZINC000851829909 661836094 /nfs/dbraw/zinc/83/60/94/661836094.db2.gz SPLSKQVKGVBHIJ-GFCCVEGCSA-N -1 3 378.313 2.526 20 30 GFEDHM C=CC[C@@H]1CCCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000855439176 661992031 /nfs/dbraw/zinc/99/20/31/661992031.db2.gz XKPMIMJRBYGPPB-UONOGXRCSA-N -1 3 385.917 2.607 20 30 GFEDHM C=CCCONC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000856028448 662017208 /nfs/dbraw/zinc/01/72/08/662017208.db2.gz IBMNCGJVGURZBM-UHFFFAOYSA-N -1 3 379.265 2.672 20 30 GFEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c([O-])cccc1Br ZINC000862252374 662277784 /nfs/dbraw/zinc/27/77/84/662277784.db2.gz SUTQUGJWAOLTQZ-GFCCVEGCSA-N -1 3 388.269 2.527 20 30 GFEDHM O=C(Nc1ccc(Br)cc1C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000878376373 662894838 /nfs/dbraw/zinc/89/48/38/662894838.db2.gz ZERVCCZYGHLTEY-JTQLQIEISA-N -1 3 396.163 2.970 20 30 GFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000904013313 663817182 /nfs/dbraw/zinc/81/71/82/663817182.db2.gz CLKRSEHNIJRLMM-NSHDSACASA-N -1 3 390.177 2.708 20 30 GFEDHM O=C(c1cc(N2CCOCC2)ncn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178362 663826818 /nfs/dbraw/zinc/82/68/18/663826818.db2.gz GYWKFNVNKHRRSS-UHFFFAOYSA-N -1 3 383.235 2.652 20 30 GFEDHM C[C@@H](Sc1nc(CC(=O)N([O-])Cc2ccccc2Cl)cs1)C(N)=O ZINC000904192902 663827489 /nfs/dbraw/zinc/82/74/89/663827489.db2.gz ZWSIBGLBHZUYKI-SECBINFHSA-N -1 3 385.898 2.723 20 30 GFEDHM CS(=O)(=O)NCCc1ccc(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC000904187974 663827567 /nfs/dbraw/zinc/82/75/67/663827567.db2.gz YZTJJSHDJUMWPK-UHFFFAOYSA-N -1 3 388.898 2.525 20 30 GFEDHM CC(C)(C)n1cc(CN=Cc2cc(Br)ccc2[O-])c(=O)[nH]c1=O ZINC000905002850 663849245 /nfs/dbraw/zinc/84/92/45/663849245.db2.gz RWECQOXUAAMWFS-WSVATBPTSA-N -1 3 380.242 2.791 20 30 GFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907207715 664011989 /nfs/dbraw/zinc/01/19/89/664011989.db2.gz VZHLYKIJKMUFPM-UHFFFAOYSA-N -1 3 393.278 2.568 20 30 GFEDHM O=C1CNC(=O)N1Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000912961594 664314498 /nfs/dbraw/zinc/31/44/98/664314498.db2.gz CEBOGEJZMMVPCI-UHFFFAOYSA-N -1 3 388.221 2.957 20 30 GFEDHM