smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001573326768 947376624 /nfs/dbraw/zinc/37/66/24/947376624.db2.gz UKRXTHGWDVJMNP-CQSZACIVSA-N -1 1 337.383 2.685 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001573326768 947376639 /nfs/dbraw/zinc/37/66/39/947376639.db2.gz UKRXTHGWDVJMNP-CQSZACIVSA-N -1 1 337.383 2.685 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001573326854 947381604 /nfs/dbraw/zinc/38/16/04/947381604.db2.gz XOEGOUULSJOSTP-AWEZNQCLSA-N -1 1 349.398 2.571 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001573326854 947381617 /nfs/dbraw/zinc/38/16/17/947381617.db2.gz XOEGOUULSJOSTP-AWEZNQCLSA-N -1 1 349.398 2.571 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001573326855 947381675 /nfs/dbraw/zinc/38/16/75/947381675.db2.gz XOEGOUULSJOSTP-CQSZACIVSA-N -1 1 349.398 2.571 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001573326855 947381692 /nfs/dbraw/zinc/38/16/92/947381692.db2.gz XOEGOUULSJOSTP-CQSZACIVSA-N -1 1 349.398 2.571 20 30 EFEDMM CC(N=Nc1cccc(Cl)c1Cl)c1cn(CC(=O)[O-])nn1 ZINC001602737839 971433251 /nfs/dbraw/zinc/43/32/51/971433251.db2.gz WRFWSOUAPYPXQG-UHFFFAOYSA-N -1 1 328.159 2.506 20 30 EFEDMM N#CC(C(=O)C1(C(=O)[O-])CC=CC1)c1nccn1Cc1ccccc1 ZINC001594602268 956144131 /nfs/dbraw/zinc/14/41/31/956144131.db2.gz USHASXYEXGHMJC-OAHLLOKOSA-N -1 1 335.363 2.529 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588558022 959075416 /nfs/dbraw/zinc/07/54/16/959075416.db2.gz OAYCIFXYOPAMME-RYUDHWBXSA-N -1 1 349.818 2.725 20 30 EFEDMM C=CCO[C@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001327336587 961153948 /nfs/dbraw/zinc/15/39/48/961153948.db2.gz JAWJGWFJZALMDS-ZDUSSCGKSA-N -1 1 325.792 2.694 20 30 EFEDMM C=CCO[C@H]1CCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001328744526 961223868 /nfs/dbraw/zinc/22/38/68/961223868.db2.gz NLRFUCNUJKZSCO-ZDUSSCGKSA-N -1 1 340.217 2.924 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)CC3(CC(=O)[O-])CCCC3)[nH]c2c1 ZINC001571171332 962054799 /nfs/dbraw/zinc/05/47/99/962054799.db2.gz VMWUZOXUWSRFHQ-UHFFFAOYSA-N -1 1 326.356 2.798 20 30 EFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCCC(=O)[O-] ZINC001588987793 962765240 /nfs/dbraw/zinc/76/52/40/962765240.db2.gz GQJIWPNCLPPETD-CYBMUJFWSA-N -1 1 349.456 2.816 20 30 EFEDMM C=CCCC[C@H](NC(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC001573364818 963051301 /nfs/dbraw/zinc/05/13/01/963051301.db2.gz BVEDUDVRTXMFIN-NSHDSACASA-N -1 1 342.189 2.694 20 30 EFEDMM N#CC[C@@H]1CCCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001605582060 973864596 /nfs/dbraw/zinc/86/45/96/973864596.db2.gz SNUARQFIXJFRCC-GJZGRUSLSA-N -1 1 331.416 2.706 20 30 EFEDMM CC(C)c1cc([C@@H]2CCCN(c3ccc(C(=O)[O-])nc3C#N)C2)[nH]n1 ZINC001591930881 976428534 /nfs/dbraw/zinc/42/85/34/976428534.db2.gz DNRRPQQJPCYJQA-GFCCVEGCSA-N -1 1 339.399 2.882 20 30 EFEDMM N#Cc1ccc([C@@H](OC(=O)c2c(F)cc(O)cc2F)C(=O)[O-])cc1 ZINC000833073191 979077631 /nfs/dbraw/zinc/07/76/31/979077631.db2.gz WYVQHGYANQJZRT-CQSZACIVSA-N -1 1 333.246 2.525 20 30 EFEDMM C=CCOC[C@@H](NCc1c(Cl)cccc1N1CCCC1)C(=O)[O-] ZINC000901810591 980531757 /nfs/dbraw/zinc/53/17/57/980531757.db2.gz MHUIIHXBPKMYFV-OAHLLOKOSA-N -1 1 338.835 2.686 20 30 EFEDMM C#CCC1(O)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001588431840 983465975 /nfs/dbraw/zinc/46/59/75/983465975.db2.gz OPINIBUPLIZIPP-AWEZNQCLSA-N -1 1 342.222 2.969 20 30 EFEDMM C#CCN(C)Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001588463797 983492428 /nfs/dbraw/zinc/49/24/28/983492428.db2.gz LJTSMBZQKSTEQJ-UHFFFAOYSA-N -1 1 329.352 2.630 20 30 EFEDMM C#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC001588517606 983565803 /nfs/dbraw/zinc/56/58/03/983565803.db2.gz XFGKOIFIWIQFKP-GOSISDBHSA-N -1 1 325.364 2.601 20 30 EFEDMM C=C(C)c1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC001588605480 983693239 /nfs/dbraw/zinc/69/32/39/983693239.db2.gz IZTUHTIRVVBICQ-CQSZACIVSA-N -1 1 331.416 2.732 20 30 EFEDMM C=CCCOCCN[C@@H](C(=O)[O-])c1ccccc1Br ZINC001588813337 984269840 /nfs/dbraw/zinc/26/98/40/984269840.db2.gz NVCUSWJWQXKKPY-CYBMUJFWSA-N -1 1 328.206 2.757 20 30 EFEDMM C=CCCOCCN[C@H](C(=O)[O-])c1ccccc1Br ZINC001588813338 984269871 /nfs/dbraw/zinc/26/98/71/984269871.db2.gz NVCUSWJWQXKKPY-ZDUSSCGKSA-N -1 1 328.206 2.757 20 30 EFEDMM C=CCOc1ccc(CNCc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001588872926 984443114 /nfs/dbraw/zinc/44/31/14/984443114.db2.gz TUDOCLJZEQZSHL-UHFFFAOYSA-N -1 1 343.427 2.829 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001588879544 984457990 /nfs/dbraw/zinc/45/79/90/984457990.db2.gz FAQJLOLYHDDZED-AWEZNQCLSA-N -1 1 348.468 2.586 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001588879808 984459804 /nfs/dbraw/zinc/45/98/04/984459804.db2.gz QEFKRDKNFNPDLY-STQMWFEESA-N -1 1 334.441 2.698 20 30 EFEDMM CCc1[nH]c(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)c(C)c1C(=O)[O-] ZINC001597374198 987560755 /nfs/dbraw/zinc/56/07/55/987560755.db2.gz HSNTVSRBDQHMFN-UHFFFAOYSA-N -1 1 337.339 2.584 20 30 EFEDMM CCc1oc(C(=O)[O-])cc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC001597761651 989191611 /nfs/dbraw/zinc/19/16/11/989191611.db2.gz PMCSHNVJTWDREG-OAHLLOKOSA-N -1 1 328.368 2.577 20 30 EFEDMM CC(C)(NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001590866501 990759348 /nfs/dbraw/zinc/75/93/48/990759348.db2.gz DUZNFBSDYHDYAG-UHFFFAOYSA-N -1 1 337.379 2.720 20 30 EFEDMM COc1nsc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C(=O)[O-] ZINC001599743004 991887430 /nfs/dbraw/zinc/88/74/30/991887430.db2.gz VVWSHBIASUSKFF-CYBMUJFWSA-N -1 1 343.408 2.889 20 30 EFEDMM COc1nsc(CN[C@H]2CCCc3cc(C#N)ccc32)c1C(=O)[O-] ZINC001599743007 991887737 /nfs/dbraw/zinc/88/77/37/991887737.db2.gz VVWSHBIASUSKFF-ZDUSSCGKSA-N -1 1 343.408 2.889 20 30 EFEDMM CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)[O-])c1C#N ZINC001598502416 992451725 /nfs/dbraw/zinc/45/17/25/992451725.db2.gz YPVMEQUYPCOJCX-UHFFFAOYSA-N -1 1 339.351 2.839 20 30 EFEDMM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001598507946 992531311 /nfs/dbraw/zinc/53/13/11/992531311.db2.gz XOUNCMGXEQPQKS-QGZVFWFLSA-N -1 1 328.343 2.561 20 30 EFEDMM CN1C(=O)CCc2cc(CN=Nc3cccc(F)c3C(=O)[O-])ccc21 ZINC001598552429 993019403 /nfs/dbraw/zinc/01/94/03/993019403.db2.gz USLJTRGMTJCYMQ-UHFFFAOYSA-N -1 1 341.342 2.879 20 30 EFEDMM CO[C@]1(C(F)(F)F)CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599083460 997050194 /nfs/dbraw/zinc/05/01/94/997050194.db2.gz JTHLKTCEOYTWCI-DZGCQCFKSA-N -1 1 342.317 2.727 20 30 EFEDMM COc1ccc([C@@H](NCc2cc(C#N)ccn2)C(=O)[O-])cc1Cl ZINC001599527105 997579607 /nfs/dbraw/zinc/57/96/07/997579607.db2.gz LIQGRGYAHKYLAQ-OAHLLOKOSA-N -1 1 331.759 2.531 20 30 EFEDMM COc1cc(C#N)ccc1CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001599348148 998047120 /nfs/dbraw/zinc/04/71/20/998047120.db2.gz SRHMQHDSMLURHG-OLZOCXBDSA-N -1 1 342.317 2.652 20 30 EFEDMM O=S1(=O)[N-]/C(=N/[C@H]2C[C@H](c3cccc(F)c3)C2)c2ccccc21 ZINC001647173849 1089034078 /nfs/dbraw/zinc/03/40/78/1089034078.db2.gz FQKDDNZZLSGQLO-MQMHXKEQSA-N -1 1 330.384 2.810 20 30 EFEDMM CC[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001576999109 1089573909 /nfs/dbraw/zinc/57/39/09/1089573909.db2.gz NFXGVXXIXAQZFI-LLVKDONJSA-N -1 1 340.778 2.745 20 30 EFEDMM CCN(c1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1)C(C)C ZINC001578190808 1090299403 /nfs/dbraw/zinc/29/94/03/1090299403.db2.gz SFMHVHLWRRJOLM-UHFFFAOYSA-N -1 1 349.402 2.507 20 30 EFEDMM COc1cc(C#N)ccc1Oc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001579889912 1090716032 /nfs/dbraw/zinc/71/60/32/1090716032.db2.gz HTFQQFNBGQYQEZ-UHFFFAOYSA-N -1 1 344.312 2.509 20 30 EFEDMM COc1cc(C#N)ccc1Oc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001579889912 1090716037 /nfs/dbraw/zinc/71/60/37/1090716037.db2.gz HTFQQFNBGQYQEZ-UHFFFAOYSA-N -1 1 344.312 2.509 20 30 EFEDMM C=C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001588518575 1092953614 /nfs/dbraw/zinc/95/36/14/1092953614.db2.gz GNHFCVKVGWYJQG-CYBMUJFWSA-N -1 1 334.383 2.584 20 30 EFEDMM C=C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001588518575 1092953616 /nfs/dbraw/zinc/95/36/16/1092953616.db2.gz GNHFCVKVGWYJQG-CYBMUJFWSA-N -1 1 334.383 2.584 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588545825 1092958818 /nfs/dbraw/zinc/95/88/18/1092958818.db2.gz PAQMYKINLFXIHF-AWEZNQCLSA-N -1 1 349.398 2.571 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588545825 1092958827 /nfs/dbraw/zinc/95/88/27/1092958827.db2.gz PAQMYKINLFXIHF-AWEZNQCLSA-N -1 1 349.398 2.571 20 30 EFEDMM C=CCC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCCC1 ZINC001588556135 1092959079 /nfs/dbraw/zinc/95/90/79/1092959079.db2.gz FKUVJLPXYVFWRO-UHFFFAOYSA-N -1 1 327.392 2.542 20 30 EFEDMM C=CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CCCC1 ZINC001588557794 1092961540 /nfs/dbraw/zinc/96/15/40/1092961540.db2.gz UYMATGDQFGJTAI-UHFFFAOYSA-N -1 1 346.822 2.781 20 30 EFEDMM C=CCCCC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001588594798 1092968565 /nfs/dbraw/zinc/96/85/65/1092968565.db2.gz UEYQPTYWTCTBFZ-UHFFFAOYSA-N -1 1 337.387 2.656 20 30 EFEDMM C=CCCCC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001588594798 1092968574 /nfs/dbraw/zinc/96/85/74/1092968574.db2.gz UEYQPTYWTCTBFZ-UHFFFAOYSA-N -1 1 337.387 2.656 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001588635301 1092971329 /nfs/dbraw/zinc/97/13/29/1092971329.db2.gz HHVYBBTUPKHNHB-UHFFFAOYSA-N -1 1 339.424 2.799 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001588631379 1092972800 /nfs/dbraw/zinc/97/28/00/1092972800.db2.gz BYEKOZVUXPQICM-NSHDSACASA-N -1 1 347.419 2.687 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001588653635 1092975737 /nfs/dbraw/zinc/97/57/37/1092975737.db2.gz RBIKLVFKBUITKG-UHFFFAOYSA-N -1 1 331.426 2.818 20 30 EFEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001588653386 1092976543 /nfs/dbraw/zinc/97/65/43/1092976543.db2.gz FTRUMESCZYPOLI-UHFFFAOYSA-N -1 1 343.387 2.896 20 30 EFEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001588653386 1092976555 /nfs/dbraw/zinc/97/65/55/1092976555.db2.gz FTRUMESCZYPOLI-UHFFFAOYSA-N -1 1 343.387 2.896 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3ccccc32)o1 ZINC001589238335 1093056336 /nfs/dbraw/zinc/05/63/36/1093056336.db2.gz UBQPMCQGCKNXHR-UHFFFAOYSA-N -1 1 337.387 2.915 20 30 EFEDMM CC(C)[C@H]1CCC[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001589507369 1093099158 /nfs/dbraw/zinc/09/91/58/1093099158.db2.gz JDLXGWGGSZAGMP-NWDGAFQWSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3ncccc32)o1 ZINC001589774228 1093142283 /nfs/dbraw/zinc/14/22/83/1093142283.db2.gz USVPTXRUCXRWDN-UHFFFAOYSA-N -1 1 338.375 2.526 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3cccnc32)o1 ZINC001589773826 1093142482 /nfs/dbraw/zinc/14/24/82/1093142482.db2.gz OEMZPKBFYDTNPY-UHFFFAOYSA-N -1 1 348.370 2.972 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC(C)(C#N)CC2)o1 ZINC001589773392 1093142993 /nfs/dbraw/zinc/14/29/93/1093142993.db2.gz HCMFCBDFIRVLQE-UHFFFAOYSA-N -1 1 328.380 2.850 20 30 EFEDMM CC1(C)CCC(C)(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590089414 1093259740 /nfs/dbraw/zinc/25/97/40/1093259740.db2.gz WQPHGJUTOSWXBS-UHFFFAOYSA-N -1 1 326.408 2.547 20 30 EFEDMM CC1(C)CCC(C)(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590089414 1093259743 /nfs/dbraw/zinc/25/97/43/1093259743.db2.gz WQPHGJUTOSWXBS-UHFFFAOYSA-N -1 1 326.408 2.547 20 30 EFEDMM CCC(CC)CN(CCC#N)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590433797 1093420412 /nfs/dbraw/zinc/42/04/12/1093420412.db2.gz MQDAIQFXZFSFBK-UHFFFAOYSA-N -1 1 340.435 2.690 20 30 EFEDMM CCC(CC)CN(CCC#N)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590433797 1093420419 /nfs/dbraw/zinc/42/04/19/1093420419.db2.gz MQDAIQFXZFSFBK-UHFFFAOYSA-N -1 1 340.435 2.690 20 30 EFEDMM CCC1(CC)CCC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001590493700 1093454484 /nfs/dbraw/zinc/45/44/84/1093454484.db2.gz JWBMRFZTMWTTNJ-UHFFFAOYSA-N -1 1 326.408 2.689 20 30 EFEDMM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1C ZINC001650601816 1093460804 /nfs/dbraw/zinc/46/08/04/1093460804.db2.gz JPNATBHOCWOARF-HPTBWKMGSA-N -1 1 344.411 2.702 20 30 EFEDMM CCCc1ccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)s1 ZINC001590658949 1093532539 /nfs/dbraw/zinc/53/25/39/1093532539.db2.gz VCPAWXFLCCFKCB-UHFFFAOYSA-N -1 1 342.428 2.541 20 30 EFEDMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001590675955 1093545272 /nfs/dbraw/zinc/54/52/72/1093545272.db2.gz AABBVJGIMXKZRH-LLVKDONJSA-N -1 1 336.355 2.555 20 30 EFEDMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001590675955 1093545277 /nfs/dbraw/zinc/54/52/77/1093545277.db2.gz AABBVJGIMXKZRH-LLVKDONJSA-N -1 1 336.355 2.555 20 30 EFEDMM CCc1cc(C#N)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC001590878005 1093610839 /nfs/dbraw/zinc/61/08/39/1093610839.db2.gz LLVLTHNTJKHXEP-UHFFFAOYSA-N -1 1 330.398 2.676 20 30 EFEDMM CCc1cc(C#N)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC001590878005 1093610842 /nfs/dbraw/zinc/61/08/42/1093610842.db2.gz LLVLTHNTJKHXEP-UHFFFAOYSA-N -1 1 330.398 2.676 20 30 EFEDMM CCc1cccc2c(CN=Nc3oc(C)nc3-c3nn[n-]n3)c[nH]c21 ZINC001590896349 1093623270 /nfs/dbraw/zinc/62/32/70/1093623270.db2.gz YPGVQSKIEHFUBZ-UHFFFAOYSA-N -1 1 336.359 2.653 20 30 EFEDMM COC(=O)c1csc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001591308029 1093688456 /nfs/dbraw/zinc/68/84/56/1093688456.db2.gz VHOHAUPNSAMPQT-RQOWECAXSA-N -1 1 346.393 2.672 20 30 EFEDMM COc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1F ZINC001591522418 1093749964 /nfs/dbraw/zinc/74/99/64/1093749964.db2.gz HYFNSEJFNWGMMP-UHFFFAOYSA-N -1 1 345.338 2.572 20 30 EFEDMM COc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591605692 1093792006 /nfs/dbraw/zinc/79/20/06/1093792006.db2.gz BZVOJILHURTLPS-DUXPYHPUSA-N -1 1 330.344 2.972 20 30 EFEDMM COc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591605692 1093792016 /nfs/dbraw/zinc/79/20/16/1093792016.db2.gz BZVOJILHURTLPS-DUXPYHPUSA-N -1 1 330.344 2.972 20 30 EFEDMM C[C@@]1(C#N)CC[C@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001591775973 1093856617 /nfs/dbraw/zinc/85/66/17/1093856617.db2.gz IIDAEEIRHWMPOY-RSVKCKOMSA-N -1 1 329.335 2.635 20 30 EFEDMM C[C@@]1(C#N)CC[C@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001591775973 1093856620 /nfs/dbraw/zinc/85/66/20/1093856620.db2.gz IIDAEEIRHWMPOY-RSVKCKOMSA-N -1 1 329.335 2.635 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)no1 ZINC001591906920 1093913604 /nfs/dbraw/zinc/91/36/04/1093913604.db2.gz PNCUQIUCBFRHJK-HYXAFXHYSA-N -1 1 333.710 2.852 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)no1 ZINC001591906920 1093913612 /nfs/dbraw/zinc/91/36/12/1093913612.db2.gz PNCUQIUCBFRHJK-HYXAFXHYSA-N -1 1 333.710 2.852 20 30 EFEDMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@H](C#N)C2CC2)n1 ZINC001591940492 1093925035 /nfs/dbraw/zinc/92/50/35/1093925035.db2.gz RFGVZNFRORWWML-SECBINFHSA-N -1 1 340.334 2.983 20 30 EFEDMM Cc1ccc(N2CCC(c3ccc(C#N)cc3)CC2)nc1-c1nnn[n-]1 ZINC001592178015 1094018130 /nfs/dbraw/zinc/01/81/30/1094018130.db2.gz SDQBTAYUZOWYOI-UHFFFAOYSA-N -1 1 345.410 2.826 20 30 EFEDMM Cc1ccc(N2CCC(c3ccc(C#N)cc3)CC2)nc1-c1nn[n-]n1 ZINC001592178015 1094018136 /nfs/dbraw/zinc/01/81/36/1094018136.db2.gz SDQBTAYUZOWYOI-UHFFFAOYSA-N -1 1 345.410 2.826 20 30 EFEDMM Cc1ccccc1SC[C@H](C)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001592259665 1094057641 /nfs/dbraw/zinc/05/76/41/1094057641.db2.gz RPQXTPJYOCOPAC-LLVKDONJSA-N -1 1 339.428 2.672 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001592334942 1094079281 /nfs/dbraw/zinc/07/92/81/1094079281.db2.gz IMKAFNDZVVWBKX-UKRRQHHQSA-N -1 1 333.399 2.827 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cc(C#N)ccc2F)n1 ZINC001592353814 1094085365 /nfs/dbraw/zinc/08/53/65/1094085365.db2.gz WDRIKZKUSSJCJY-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM Fc1ccc(C=NOCCC(F)(F)F)c(Cl)c1-c1nnn[n-]1 ZINC001592648239 1094161966 /nfs/dbraw/zinc/16/19/66/1094161966.db2.gz DTOWCRXNJGBGCU-UHFFFAOYSA-N -1 1 337.664 2.962 20 30 EFEDMM Fc1ccc(C=NOCCC(F)(F)F)c(Cl)c1-c1nn[n-]n1 ZINC001592648239 1094161970 /nfs/dbraw/zinc/16/19/70/1094161970.db2.gz DTOWCRXNJGBGCU-UHFFFAOYSA-N -1 1 337.664 2.962 20 30 EFEDMM N#C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001592669275 1094172793 /nfs/dbraw/zinc/17/27/93/1094172793.db2.gz NPLMZVXPUSUQCE-LLVKDONJSA-N -1 1 344.787 2.576 20 30 EFEDMM N#C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001592669275 1094172795 /nfs/dbraw/zinc/17/27/95/1094172795.db2.gz NPLMZVXPUSUQCE-LLVKDONJSA-N -1 1 344.787 2.576 20 30 EFEDMM N#Cc1c2c(sc1NC(=O)c1coc(-c3nnn[n-]3)c1)CCCC2 ZINC001592685336 1094176533 /nfs/dbraw/zinc/17/65/33/1094176533.db2.gz POSAJUIUSWAOLG-UHFFFAOYSA-N -1 1 340.368 2.524 20 30 EFEDMM N#Cc1c2c(sc1NC(=O)c1coc(-c3nn[n-]n3)c1)CCCC2 ZINC001592685336 1094176536 /nfs/dbraw/zinc/17/65/36/1094176536.db2.gz POSAJUIUSWAOLG-UHFFFAOYSA-N -1 1 340.368 2.524 20 30 EFEDMM N#CCc1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC001592679789 1094176638 /nfs/dbraw/zinc/17/66/38/1094176638.db2.gz CDBPQASYEDBVBZ-UHFFFAOYSA-N -1 1 328.339 2.620 20 30 EFEDMM N#CCc1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC001592679789 1094176640 /nfs/dbraw/zinc/17/66/40/1094176640.db2.gz CDBPQASYEDBVBZ-UHFFFAOYSA-N -1 1 328.339 2.620 20 30 EFEDMM N#Cc1c(F)cccc1Oc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001592686938 1094177468 /nfs/dbraw/zinc/17/74/68/1094177468.db2.gz QKUKLTLKCQDGAB-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM N#Cc1c(F)cccc1Oc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592686938 1094177472 /nfs/dbraw/zinc/17/74/72/1094177472.db2.gz QKUKLTLKCQDGAB-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM N#Cc1ccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)cc1 ZINC001592694121 1094179341 /nfs/dbraw/zinc/17/93/41/1094179341.db2.gz LFGQOLOSIBKLII-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM N#Cc1ccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)cc1 ZINC001592694121 1094179345 /nfs/dbraw/zinc/17/93/45/1094179345.db2.gz LFGQOLOSIBKLII-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM N#Cc1ccc(Sc2ccnc(-c3nn[n-]n3)n2)cc1C(F)(F)F ZINC001592697670 1094180141 /nfs/dbraw/zinc/18/01/41/1094180141.db2.gz MPHFXQXBUUPYFS-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C2CC2)c1 ZINC001592695482 1094180798 /nfs/dbraw/zinc/18/07/98/1094180798.db2.gz XBCMPVZBYWOAAQ-UHFFFAOYSA-N -1 1 336.380 2.930 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C2CC2)c1 ZINC001592695482 1094180804 /nfs/dbraw/zinc/18/08/04/1094180804.db2.gz XBCMPVZBYWOAAQ-UHFFFAOYSA-N -1 1 336.380 2.930 20 30 EFEDMM N#Cc1ncn(Cc2ccc(-c3cccs3)cc2)c1-c1nn[n-]n1 ZINC001592709518 1094183072 /nfs/dbraw/zinc/18/30/72/1094183072.db2.gz IABOZTHKDGSYRX-UHFFFAOYSA-N -1 1 333.380 2.712 20 30 EFEDMM C=CCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782676558 1095398667 /nfs/dbraw/zinc/39/86/67/1095398667.db2.gz JFGUBKIGGUTVEI-UHFFFAOYSA-N -1 1 328.320 2.702 20 30 EFEDMM Cn1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001600951966 1095441998 /nfs/dbraw/zinc/44/19/98/1095441998.db2.gz RACAQVDXWAIJDH-UHFFFAOYSA-N -1 1 339.395 2.638 20 30 EFEDMM N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001601059325 1095486024 /nfs/dbraw/zinc/48/60/24/1095486024.db2.gz XLCJFOITKVMOAE-TXPKVOOTSA-N -1 1 327.428 2.830 20 30 EFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC3(C2)Oc2ccccc2O3)cc1 ZINC001601095533 1095505621 /nfs/dbraw/zinc/50/56/21/1095505621.db2.gz UBEPYDHKYDOPGL-KRWDZBQOSA-N -1 1 336.347 2.557 20 30 EFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC001601095379 1095506009 /nfs/dbraw/zinc/50/60/09/1095506009.db2.gz PCWOTNOPAUVTOL-TZIWHRDSSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1ccc(F)c(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001601102938 1095513310 /nfs/dbraw/zinc/51/33/10/1095513310.db2.gz SMVFMZMSOLMLQW-LLVKDONJSA-N -1 1 331.372 2.842 20 30 EFEDMM N#Cc1cccc([C@H](OC(=O)c2ccc(O)c(Cl)c2)C(=O)[O-])c1 ZINC001601117387 1095522372 /nfs/dbraw/zinc/52/23/72/1095522372.db2.gz JVWRTAHCXBGGEX-AWEZNQCLSA-N -1 1 331.711 2.900 20 30 EFEDMM N#Cc1cccc([C@@H](OC(=O)c2[nH]nc3c2CCCCC3)C(=O)[O-])c1 ZINC001601120489 1095525729 /nfs/dbraw/zinc/52/57/29/1095525729.db2.gz WQLYDZAETSERDI-MRXNPFEDSA-N -1 1 339.351 2.533 20 30 EFEDMM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)n1 ZINC001601123314 1095527445 /nfs/dbraw/zinc/52/74/45/1095527445.db2.gz UYSZVNIWPHFIDY-AWEZNQCLSA-N -1 1 346.184 2.631 20 30 EFEDMM N#Cc1cnc(Cl)c(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601129990 1095532685 /nfs/dbraw/zinc/53/26/85/1095532685.db2.gz DKUDPPMIZMHBQK-SFHVURJKSA-N -1 1 341.798 2.835 20 30 EFEDMM O=C([O-])[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC1 ZINC001601647696 1095783348 /nfs/dbraw/zinc/78/33/48/1095783348.db2.gz BVJIWJTYODBUFX-ULRQZSOLSA-N -1 1 332.183 2.855 20 30 EFEDMM O=C([O-])[C@H]1CSCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001601855205 1095935453 /nfs/dbraw/zinc/93/54/53/1095935453.db2.gz AWQUHVZVMATLJU-CYBMUJFWSA-N -1 1 343.370 2.807 20 30 EFEDMM O=C([O-])c1ccccc1N=NCc1ccc(O[C@H]2CCOC2)cc1 ZINC001602472153 1096263838 /nfs/dbraw/zinc/26/38/38/1096263838.db2.gz VODGTWJWXCNTNC-HNNXBMFYSA-N -1 1 326.352 2.999 20 30 EFEDMM C#C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001602689244 1096350841 /nfs/dbraw/zinc/35/08/41/1096350841.db2.gz POMGCQOXQRWFKR-GFCCVEGCSA-N -1 1 343.799 2.686 20 30 EFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001602734627 1096358433 /nfs/dbraw/zinc/35/84/33/1096358433.db2.gz TWTSCVPAGIZVRF-UHFFFAOYSA-N -1 1 345.376 2.506 20 30 EFEDMM C=C(C)[C@@H]1CC=C(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001602754073 1096363745 /nfs/dbraw/zinc/36/37/45/1096363745.db2.gz YHRRXVPKSMRWHT-CYBMUJFWSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)[C@@H]1CC=C(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001602754073 1096363752 /nfs/dbraw/zinc/36/37/52/1096363752.db2.gz YHRRXVPKSMRWHT-CYBMUJFWSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)COc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)ccc1OC ZINC001602764960 1096366131 /nfs/dbraw/zinc/36/61/31/1096366131.db2.gz ZRLXRZNBIUNGOL-UHFFFAOYSA-N -1 1 344.411 2.840 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC001602775478 1096368595 /nfs/dbraw/zinc/36/85/95/1096368595.db2.gz CTPDRDQUBKMPTA-GVDBMIGSSA-N -1 1 344.455 2.917 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001602778310 1096369101 /nfs/dbraw/zinc/36/91/01/1096369101.db2.gz NRJJUYZCMUUTGR-UHFFFAOYSA-N -1 1 330.428 2.530 20 30 EFEDMM C=CCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC1 ZINC001602818085 1096375211 /nfs/dbraw/zinc/37/52/11/1096375211.db2.gz AWVSSQZQRCVJTM-UHFFFAOYSA-N -1 1 329.364 2.718 20 30 EFEDMM C=CCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC001602818085 1096375219 /nfs/dbraw/zinc/37/52/19/1096375219.db2.gz AWVSSQZQRCVJTM-UHFFFAOYSA-N -1 1 329.364 2.718 20 30 EFEDMM C=CC[C@@H]1CCCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001602823907 1096377939 /nfs/dbraw/zinc/37/79/39/1096377939.db2.gz NGJITPNKPMIIMS-SNVBAGLBSA-N -1 1 333.342 2.573 20 30 EFEDMM C=CC[C@@H]1CCCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001602823907 1096377948 /nfs/dbraw/zinc/37/79/48/1096377948.db2.gz NGJITPNKPMIIMS-SNVBAGLBSA-N -1 1 333.342 2.573 20 30 EFEDMM C=CCCCCCCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001602834310 1096379218 /nfs/dbraw/zinc/37/92/18/1096379218.db2.gz OVIVAJBISWIVBF-UHFFFAOYSA-N -1 1 346.439 2.638 20 30 EFEDMM C=CCCCCCCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001602834310 1096379228 /nfs/dbraw/zinc/37/92/28/1096379228.db2.gz OVIVAJBISWIVBF-UHFFFAOYSA-N -1 1 346.439 2.638 20 30 EFEDMM C=CC[C@@H]1N(CC(=O)Nc2cccc(C(=O)[O-])n2)CCCC1(C)C ZINC001602855405 1096385418 /nfs/dbraw/zinc/38/54/18/1096385418.db2.gz PVOMPIYZTKIUFI-AWEZNQCLSA-N -1 1 331.416 2.785 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001602862318 1096389540 /nfs/dbraw/zinc/38/95/40/1096389540.db2.gz ITNFFSHNHXEDGN-UHFFFAOYSA-N -1 1 331.426 2.818 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001602862318 1096389550 /nfs/dbraw/zinc/38/95/50/1096389550.db2.gz ITNFFSHNHXEDGN-UHFFFAOYSA-N -1 1 331.426 2.818 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(O)cc(F)c2)o1 ZINC001602911874 1096398868 /nfs/dbraw/zinc/39/88/68/1096398868.db2.gz JNXODNYPYREUBM-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM Cc1csc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)n1 ZINC001602912205 1096398985 /nfs/dbraw/zinc/39/89/85/1096398985.db2.gz OAOODFFJGUQUEK-UHFFFAOYSA-N -1 1 332.393 2.579 20 30 EFEDMM CC(=O)Nc1ccc2c(c1)CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001603076667 1096434872 /nfs/dbraw/zinc/43/48/72/1096434872.db2.gz RECHQKQWIXUUES-IBGZPJMESA-N -1 1 349.390 2.701 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cccc3F)o1 ZINC001603407141 1096522160 /nfs/dbraw/zinc/52/21/60/1096522160.db2.gz PNBRJWHTDUSKOG-UHFFFAOYSA-N -1 1 341.350 2.880 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccc(C)cc2)o1 ZINC001603499077 1096540184 /nfs/dbraw/zinc/54/01/84/1096540184.db2.gz KDYHUZBEAAPWDP-UHFFFAOYSA-N -1 1 325.376 2.892 20 30 EFEDMM C[C@@H]1C[C@H](CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001603850969 1096645661 /nfs/dbraw/zinc/64/56/61/1096645661.db2.gz OSSQMPNPSSSJBD-NEPJUHHUSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@@H]1CCCc2ccccc2[C@@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603898563 1096663733 /nfs/dbraw/zinc/66/37/33/1096663733.db2.gz JOWDQLCERIDGAI-BDJLRTHQSA-N -1 1 346.398 2.654 20 30 EFEDMM C[C@@H]1CCCc2ccccc2[C@@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603898563 1096663741 /nfs/dbraw/zinc/66/37/41/1096663741.db2.gz JOWDQLCERIDGAI-BDJLRTHQSA-N -1 1 346.398 2.654 20 30 EFEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1ccco1 ZINC001603966165 1096684004 /nfs/dbraw/zinc/68/40/04/1096684004.db2.gz UYXZDPQRTUCIFV-UHFFFAOYSA-N -1 1 329.364 2.872 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604175146 1096761978 /nfs/dbraw/zinc/76/19/78/1096761978.db2.gz AXNFJOIGNUTIRL-CQSZACIVSA-N -1 1 344.463 2.917 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604175146 1096761982 /nfs/dbraw/zinc/76/19/82/1096761982.db2.gz AXNFJOIGNUTIRL-CQSZACIVSA-N -1 1 344.463 2.917 20 30 EFEDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001604652921 1096923954 /nfs/dbraw/zinc/92/39/54/1096923954.db2.gz SRBRLZXZTKIVIZ-JJLQDPRZSA-N -1 1 340.383 2.682 20 30 EFEDMM Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC001605834495 1097244287 /nfs/dbraw/zinc/24/42/87/1097244287.db2.gz YBRYOHLBGUFDTK-UHFFFAOYSA-N -1 1 331.405 2.968 20 30 EFEDMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC001605885300 1097265063 /nfs/dbraw/zinc/26/50/63/1097265063.db2.gz PQCHVAACBOUNSJ-UHFFFAOYSA-N -1 1 334.353 2.521 20 30 EFEDMM Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1ccc(C2CCCC2)cc1 ZINC001606017125 1097299011 /nfs/dbraw/zinc/29/90/11/1097299011.db2.gz AKNNAJZDGBCASG-UHFFFAOYSA-N -1 1 333.399 2.949 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1ccc(C2CCCC2)cc1 ZINC001606017125 1097299016 /nfs/dbraw/zinc/29/90/16/1097299016.db2.gz AKNNAJZDGBCASG-UHFFFAOYSA-N -1 1 333.399 2.949 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cccc(Cl)c1Cl ZINC001606017733 1097299574 /nfs/dbraw/zinc/29/95/74/1097299574.db2.gz MOOMHUYOIJZNFF-UHFFFAOYSA-N -1 1 334.170 2.598 20 30 EFEDMM N#Cc1ccnc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1Cl ZINC001167934436 1097338163 /nfs/dbraw/zinc/33/81/63/1097338163.db2.gz JCTGOJLBVHAOBQ-UHFFFAOYSA-N -1 1 349.714 2.691 20 30 EFEDMM N#CCc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC001606351023 1097390779 /nfs/dbraw/zinc/39/07/79/1097390779.db2.gz BDOQYTJGQZPQBO-UHFFFAOYSA-N -1 1 325.763 2.593 20 30 EFEDMM N#CCc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC001606351023 1097390782 /nfs/dbraw/zinc/39/07/82/1097390782.db2.gz BDOQYTJGQZPQBO-UHFFFAOYSA-N -1 1 325.763 2.593 20 30 EFEDMM N#Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606361873 1097392611 /nfs/dbraw/zinc/39/26/11/1097392611.db2.gz OPOMTFKSDUCQIH-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM N#Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606361873 1097392615 /nfs/dbraw/zinc/39/26/15/1097392615.db2.gz OPOMTFKSDUCQIH-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC001606363852 1097393952 /nfs/dbraw/zinc/39/39/52/1097393952.db2.gz RHLPKBJSZVDOMK-ARJAWSKDSA-N -1 1 342.771 2.744 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC001606363852 1097393954 /nfs/dbraw/zinc/39/39/54/1097393954.db2.gz RHLPKBJSZVDOMK-ARJAWSKDSA-N -1 1 342.771 2.744 20 30 EFEDMM N#Cc1ccccc1N(C(=O)c1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001606384874 1097397255 /nfs/dbraw/zinc/39/72/55/1097397255.db2.gz HSOSLRUIYULALR-UHFFFAOYSA-N -1 1 334.339 2.531 20 30 EFEDMM N#Cc1ncc(Oc2ccc(Cl)c(Cl)c2)nc1-c1nn[n-]n1 ZINC001606398011 1097397956 /nfs/dbraw/zinc/39/79/56/1097397956.db2.gz HJRNYJJOYKFFQX-UHFFFAOYSA-N -1 1 334.126 2.627 20 30 EFEDMM COc1cc(C=NNc2cccc(F)c2C(=O)[O-])cc([N+](=O)[O-])c1O ZINC001607152940 1097544723 /nfs/dbraw/zinc/54/47/23/1097544723.db2.gz DVTWIYYNYWYWFE-UHFFFAOYSA-N -1 1 349.274 2.592 20 30 EFEDMM COc1cc2c(cc1F)nccc2N1CCC(C#N)(C(=O)[O-])CC1 ZINC001607192013 1097556215 /nfs/dbraw/zinc/55/62/15/1097556215.db2.gz VBJSORWEDRXWFR-UHFFFAOYSA-N -1 1 329.331 2.577 20 30 EFEDMM Cc1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)[nH]c1C(=O)[O-] ZINC001607639561 1097685138 /nfs/dbraw/zinc/68/51/38/1097685138.db2.gz MPJCXBSCLNNGFX-UHFFFAOYSA-N -1 1 339.395 2.936 20 30 EFEDMM Cc1csc([C@H]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)n1 ZINC001607930149 1097779967 /nfs/dbraw/zinc/77/99/67/1097779967.db2.gz RPORYFIDDSDJBK-LSDHHAIUSA-N -1 1 327.409 2.938 20 30 EFEDMM Cc1oc(C(=O)[O-])cc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC001608038935 1097813317 /nfs/dbraw/zinc/81/33/17/1097813317.db2.gz JKPZMLLZGMYERJ-UHFFFAOYSA-N -1 1 344.367 2.674 20 30 EFEDMM N#Cc1ccc(Br)c(CN2C3CCC2(C(=O)[O-])CC3)c1 ZINC001608198766 1097859667 /nfs/dbraw/zinc/85/96/67/1097859667.db2.gz AHFXSZDWAOSQIA-UHFFFAOYSA-N -1 1 335.201 2.902 20 30 EFEDMM N#Cc1ccc2ncc(CN(CCC(=O)[O-])Cc3ccccc3)n2c1 ZINC001608214271 1097864983 /nfs/dbraw/zinc/86/49/83/1097864983.db2.gz JVZSNQWIFOPKJP-UHFFFAOYSA-N -1 1 334.379 2.683 20 30 EFEDMM N#Cc1cccc([C@@H](N[C@H](Cn2cccn2)c2ccccc2)C(=O)[O-])c1 ZINC001608215818 1097866409 /nfs/dbraw/zinc/86/64/09/1097866409.db2.gz QMUCALWRAIJEFB-RTBURBONSA-N -1 1 346.390 2.912 20 30 EFEDMM N#Cc1cccc([C@H](N[C@@H](Cn2cccn2)c2ccccc2)C(=O)[O-])c1 ZINC001608215816 1097866635 /nfs/dbraw/zinc/86/66/35/1097866635.db2.gz QMUCALWRAIJEFB-OALUTQOASA-N -1 1 346.390 2.912 20 30 EFEDMM N#Cc1ccnc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1 ZINC001608221105 1097869118 /nfs/dbraw/zinc/86/91/18/1097869118.db2.gz SPJGBVUYHNYYHJ-JKSUJKDBSA-N -1 1 343.333 2.532 20 30 EFEDMM O=C([O-])C1(C2(O)CCN(CC#Cc3cccc(Cl)c3)CC2)CCC1 ZINC001608567614 1097956632 /nfs/dbraw/zinc/95/66/32/1097956632.db2.gz ASPHBVOHCWSNKY-UHFFFAOYSA-N -1 1 347.842 2.773 20 30 EFEDMM O=C([O-])[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]([C@@H]2CCCO2)C1 ZINC001608633965 1097972802 /nfs/dbraw/zinc/97/28/02/1097972802.db2.gz NEHNHRRNTQTUCU-NXHRZFHOSA-N -1 1 331.387 2.521 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2nccc3ccccc32)o1 ZINC001609061859 1098127193 /nfs/dbraw/zinc/12/71/93/1098127193.db2.gz ZPMWGQZPPVKKJH-UHFFFAOYSA-N -1 1 334.343 2.547 20 30 EFEDMM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609153069 1098170895 /nfs/dbraw/zinc/17/08/95/1098170895.db2.gz LVUVRXYSHKULGD-LTYDNXFVSA-N -1 1 343.343 2.551 20 30 EFEDMM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609153069 1098170900 /nfs/dbraw/zinc/17/09/00/1098170900.db2.gz LVUVRXYSHKULGD-LTYDNXFVSA-N -1 1 343.343 2.551 20 30 EFEDMM CCc1cccc(Cl)c1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001609252962 1098226781 /nfs/dbraw/zinc/22/67/81/1098226781.db2.gz HAIPJTIMDIVZEG-UHFFFAOYSA-N -1 1 331.767 2.825 20 30 EFEDMM C=C[C@@H](NCc1nc2cc(Br)ccc2n1CC)C(=O)[O-] ZINC001609272009 1098234676 /nfs/dbraw/zinc/23/46/76/1098234676.db2.gz GGMDXBIASYVDTL-SNVBAGLBSA-N -1 1 338.205 2.548 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC001609341553 1098254325 /nfs/dbraw/zinc/25/43/25/1098254325.db2.gz XNGWJGMGHLXQNH-HWKANZROSA-N -1 1 330.344 2.972 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC001609341553 1098254329 /nfs/dbraw/zinc/25/43/29/1098254329.db2.gz XNGWJGMGHLXQNH-HWKANZROSA-N -1 1 330.344 2.972 20 30 EFEDMM COc1ccc(CCCN=Nc2oc(C)nc2-c2nn[n-]n2)c(C)c1 ZINC001609354583 1098262233 /nfs/dbraw/zinc/26/22/33/1098262233.db2.gz SJKXKYNGBAJWCQ-UHFFFAOYSA-N -1 1 341.375 2.511 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(-c3nn[nH]n3)c(C)c1)O2 ZINC001609399864 1098290442 /nfs/dbraw/zinc/29/04/42/1098290442.db2.gz RMADMMCEBZZDJG-CHHVJCJISA-N -1 1 334.335 2.805 20 30 EFEDMM Cc1ccc(NCc2ccc(C#N)c(Cl)c2)nc1-c1nnn[n-]1 ZINC001609426342 1098310691 /nfs/dbraw/zinc/31/06/91/1098310691.db2.gz OSJGKUBHCGAXOF-UHFFFAOYSA-N -1 1 325.763 2.707 20 30 EFEDMM Cc1ccc(NCc2ccc(C#N)c(Cl)c2)nc1-c1nn[n-]n1 ZINC001609426342 1098310693 /nfs/dbraw/zinc/31/06/93/1098310693.db2.gz OSJGKUBHCGAXOF-UHFFFAOYSA-N -1 1 325.763 2.707 20 30 EFEDMM C=CCN1C(=O)N=NC1S[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001609485025 1098352858 /nfs/dbraw/zinc/35/28/58/1098352858.db2.gz BTJMZAGQKVIXFR-NSHDSACASA-N -1 1 339.804 2.611 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609499376 1098363477 /nfs/dbraw/zinc/36/34/77/1098363477.db2.gz MOUDMECYHBPXCA-ZDUSSCGKSA-N -1 1 337.774 2.886 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609499376 1098363482 /nfs/dbraw/zinc/36/34/82/1098363482.db2.gz MOUDMECYHBPXCA-ZDUSSCGKSA-N -1 1 337.774 2.886 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccccc1OC(F)F ZINC001609519726 1098367424 /nfs/dbraw/zinc/36/74/24/1098367424.db2.gz JMNVBASGHHQJQD-WAYWQWQTSA-N -1 1 349.322 2.821 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccccc1OC(F)F ZINC001609519726 1098367430 /nfs/dbraw/zinc/36/74/30/1098367430.db2.gz JMNVBASGHHQJQD-WAYWQWQTSA-N -1 1 349.322 2.821 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CCc2cc(F)ccc21 ZINC001609585778 1098392177 /nfs/dbraw/zinc/39/21/77/1098392177.db2.gz FFYNWNQNLQHIBA-RMKNXTFCSA-N -1 1 327.344 2.675 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)CCc2cc(F)ccc21 ZINC001609585778 1098392183 /nfs/dbraw/zinc/39/21/83/1098392183.db2.gz FFYNWNQNLQHIBA-RMKNXTFCSA-N -1 1 327.344 2.675 20 30 EFEDMM C[C@@H]1CCC[C@@H](C)N1CC(N)=NOCc1cccc(C(=O)[O-])c1C#N ZINC001609851722 1098477100 /nfs/dbraw/zinc/47/71/00/1098477100.db2.gz ZQCLDHNFYXWUCZ-CHWSQXEVSA-N -1 1 344.415 2.518 20 30 EFEDMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cccc(C#N)c1 ZINC001609873861 1098482175 /nfs/dbraw/zinc/48/21/75/1098482175.db2.gz DNIDECWXWGKLSX-HNNXBMFYSA-N -1 1 335.407 2.967 20 30 EFEDMM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccc([O-])cc1Cl)CC2 ZINC001269983321 1098566635 /nfs/dbraw/zinc/56/66/35/1098566635.db2.gz NOSFCRHJDLVRLN-CQSZACIVSA-N -1 1 348.830 2.590 20 30 EFEDMM N#CC1(c2ccccn2)CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC001610620871 1098787222 /nfs/dbraw/zinc/78/72/22/1098787222.db2.gz WWCADXHXZJYHKA-HNNXBMFYSA-N -1 1 327.409 2.826 20 30 EFEDMM N#CC1(c2ccccn2)CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001610620873 1098788074 /nfs/dbraw/zinc/78/80/74/1098788074.db2.gz WWCADXHXZJYHKA-OAHLLOKOSA-N -1 1 327.409 2.826 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)CCCC(=O)Nc1ccccc1 ZINC001143564074 1098945219 /nfs/dbraw/zinc/94/52/19/1098945219.db2.gz RFBOHCYUXXXTEZ-UHFFFAOYSA-N -1 1 340.383 2.621 20 30 EFEDMM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(OC)c(C#N)c1)c2=O ZINC001611626893 1099023715 /nfs/dbraw/zinc/02/37/15/1099023715.db2.gz YJQYLDBVTACBLE-UHFFFAOYSA-N -1 1 349.346 2.669 20 30 EFEDMM N#Cc1cccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001618149808 1099282287 /nfs/dbraw/zinc/28/22/87/1099282287.db2.gz JJZUGSBHJXEXLF-UHFFFAOYSA-N -1 1 325.274 2.930 20 30 EFEDMM C=CCO[N-]C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000837044437 1099401252 /nfs/dbraw/zinc/40/12/52/1099401252.db2.gz MUVFERLNXURMJQ-SECBINFHSA-N -1 1 329.183 2.580 20 30 EFEDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001637951724 1100820504 /nfs/dbraw/zinc/82/05/04/1100820504.db2.gz ARRDNKOQAWZCNW-UHFFFAOYSA-N -1 1 348.366 2.555 20 30 EFEDMM N#Cc1c[nH]nc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001638660209 1100876411 /nfs/dbraw/zinc/87/64/11/1100876411.db2.gz XZSYXQXDJZZWID-UHFFFAOYSA-N -1 1 334.335 2.818 20 30 EFEDMM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(F)cc(C#N)c1)c2=O ZINC001641799095 1101165769 /nfs/dbraw/zinc/16/57/69/1101165769.db2.gz DQFZFRAJYXDWHX-UHFFFAOYSA-N -1 1 337.310 2.800 20 30 EFEDMM CSc1nc(Cl)c(/C=N/[O-])c(N2Cc3cnc(C)cc3C2)n1 ZINC001167110581 1101746496 /nfs/dbraw/zinc/74/64/96/1101746496.db2.gz UOMACQNIAOODTH-YAXRCOADSA-N -1 1 335.820 2.884 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C)c2OC(F)F)c(=O)o1 ZINC000588394059 1101749953 /nfs/dbraw/zinc/74/99/53/1101749953.db2.gz VYIMXDPEKDJBOV-AFNCTOJWSA-N -1 1 336.290 2.825 20 30 EFEDMM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001649250280 1102062730 /nfs/dbraw/zinc/06/27/30/1102062730.db2.gz UKTAZCABKACEDH-MRVPVSSYSA-N -1 1 345.712 2.631 20 30 EFEDMM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC001271647866 1102205703 /nfs/dbraw/zinc/20/57/03/1102205703.db2.gz PJNMXMLUFVQGJN-LBPRGKRZSA-N -1 1 348.830 2.590 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1c([O-])cccc1Cl ZINC001271647552 1102205958 /nfs/dbraw/zinc/20/59/58/1102205958.db2.gz LXQZHQSXQIDHQF-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3c([O-])cccc3Cl)C2)C1=O ZINC001271647195 1102206124 /nfs/dbraw/zinc/20/61/24/1102206124.db2.gz HVRQYNRADAIEHO-SFHVURJKSA-N -1 1 348.830 2.686 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1c(F)cccc1Cl ZINC000785410604 1102297415 /nfs/dbraw/zinc/29/74/15/1102297415.db2.gz APYJHYPSLRRVJB-XXFAHNHDSA-N -1 1 348.761 2.908 20 30 EFEDMM COCC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000905517313 1103298438 /nfs/dbraw/zinc/29/84/38/1103298438.db2.gz AUCGZOLKPLHJRI-CQSZACIVSA-N -1 1 346.761 2.875 20 30 EFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841503085 1104041086 /nfs/dbraw/zinc/04/10/86/1104041086.db2.gz IKIWLCSTUNKXDN-QMMMGPOBSA-N -1 1 335.784 2.509 20 30 EFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)c1 ZINC000127692695 1105095741 /nfs/dbraw/zinc/09/57/41/1105095741.db2.gz IPIZZDBCSDFCIK-MRXNPFEDSA-N -1 1 345.362 2.537 20 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C=CCSc1ccccc1NC(=O)CN[C@H](C(=O)[O-])[C@@H](C)CC ZINC000263188249 240380356 /nfs/dbraw/zinc/38/03/56/240380356.db2.gz VFRSXBDOBMPHPU-LRDDRELGSA-N -1 1 336.457 2.992 20 30 EFEDMM Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)[n-]c(=O)c1C ZINC000330709990 241562323 /nfs/dbraw/zinc/56/23/23/241562323.db2.gz ONXXYOSILUCFAR-UHFFFAOYSA-N -1 1 334.445 2.576 20 30 EFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000355833465 242048746 /nfs/dbraw/zinc/04/87/46/242048746.db2.gz ONECXGKGPZWQHZ-UHFFFAOYSA-N -1 1 340.364 2.603 20 30 EFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000355867379 242049500 /nfs/dbraw/zinc/04/95/00/242049500.db2.gz MAYJYNQYEPUXLU-UHFFFAOYSA-N -1 1 338.392 2.944 20 30 EFEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355861680 242051000 /nfs/dbraw/zinc/05/10/00/242051000.db2.gz CVXQCURSLAQUAP-UHFFFAOYSA-N -1 1 330.409 2.742 20 30 EFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cncc(OC(C)C)c3)nc1-2 ZINC000354897882 242017051 /nfs/dbraw/zinc/01/70/51/242017051.db2.gz 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250098994 /nfs/dbraw/zinc/09/89/94/250098994.db2.gz ITCCQTSGQMXZEJ-UHFFFAOYSA-N -1 1 326.400 2.889 20 30 EFEDMM Cn1c(CNC(=O)c2ccc(C#N)c([O-])c2)nc2cccc(Cl)c21 ZINC000442809934 250124323 /nfs/dbraw/zinc/12/43/23/250124323.db2.gz LGNLVXNHZOXXEA-UHFFFAOYSA-N -1 1 340.770 2.734 20 30 EFEDMM CCOC(=O)CC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCCC1 ZINC000443053629 250153628 /nfs/dbraw/zinc/15/36/28/250153628.db2.gz RWDYAERCENGYDL-UHFFFAOYSA-N -1 1 344.411 2.897 20 30 EFEDMM N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013341096 207374604 /nfs/dbraw/zinc/37/46/04/207374604.db2.gz PXQWMEQGMPOWBE-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM CSc1nc(C)c(CCC(=O)Nc2cccc(CC#N)c2)c(=O)[n-]1 ZINC000456721034 255657338 /nfs/dbraw/zinc/65/73/38/255657338.db2.gz BKCYKYCOHLCUTK-UHFFFAOYSA-N -1 1 342.424 2.850 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)o1 ZINC000344508027 142030376 /nfs/dbraw/zinc/03/03/76/142030376.db2.gz CQIHXWNQRBWBJJ-JOYOIKCWSA-N -1 1 340.763 2.778 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCCc2ccc(F)c(F)c2)o1 ZINC000344670465 142059047 /nfs/dbraw/zinc/05/90/47/142059047.db2.gz KGNBLNCIUDEKPR-UHFFFAOYSA-N -1 1 340.351 2.731 20 30 EFEDMM COc1ccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)o3)CCC2)cc1 ZINC000344675280 142059332 /nfs/dbraw/zinc/05/93/32/142059332.db2.gz YOQNAEXIJQSGOV-UHFFFAOYSA-N -1 1 346.408 2.560 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OCc2ccccc2)o1 ZINC000344726898 142068518 /nfs/dbraw/zinc/06/85/18/142068518.db2.gz RDWXHLJYGITTIV-HZPDHXFCSA-N -1 1 346.408 2.567 20 30 EFEDMM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344729674 142068930 /nfs/dbraw/zinc/06/89/30/142068930.db2.gz NQNHIHAUVQUAKN-JTQLQIEISA-N -1 1 347.421 2.670 20 30 EFEDMM CC(C)CCO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344812981 142082621 /nfs/dbraw/zinc/08/26/21/142082621.db2.gz OWHUBSYAKVZKER-LSDHHAIUSA-N -1 1 340.445 2.803 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(C#N)cc1 ZINC000342604448 145158027 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Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)ccc1C#N ZINC000368503230 150133967 /nfs/dbraw/zinc/13/39/67/150133967.db2.gz KCXGYAQJWBSLIH-UHFFFAOYSA-N -1 1 327.409 2.613 20 30 EFEDMM CCCOC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCCC1 ZINC000330664806 270026356 /nfs/dbraw/zinc/02/63/56/270026356.db2.gz GGGMJJVKWVOACA-UHFFFAOYSA-N -1 1 326.418 2.559 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cn1 ZINC000532393986 270035542 /nfs/dbraw/zinc/03/55/42/270035542.db2.gz IIEONUHMSMHSSF-UHFFFAOYSA-N -1 1 331.401 2.525 20 30 EFEDMM CCOC(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)c([O-])c1 ZINC000187335546 265094707 /nfs/dbraw/zinc/09/47/07/265094707.db2.gz KMGRVYUBWGHJRL-UHFFFAOYSA-N -1 1 328.299 2.832 20 30 EFEDMM COc1ccc(COCCCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188426804 265133573 /nfs/dbraw/zinc/13/35/73/265133573.db2.gz YVRXHXZVZSSGTB-UHFFFAOYSA-N -1 1 340.379 2.609 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)cc1[O-] ZINC000188427522 265134051 /nfs/dbraw/zinc/13/40/51/265134051.db2.gz MXRUEAKQUFAFJL-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1[O-] ZINC000188618918 265144620 /nfs/dbraw/zinc/14/46/20/265144620.db2.gz ITWODUQRACDGSH-OAHLLOKOSA-N -1 1 341.798 2.926 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1noc(-c2ccccc2)n1 ZINC000188666173 265145935 /nfs/dbraw/zinc/14/59/35/265145935.db2.gz LZFHPVCLWDPHNW-NSHDSACASA-N -1 1 334.335 2.805 20 30 EFEDMM N#Cc1ccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)cc1[O-] ZINC000189029417 265168050 /nfs/dbraw/zinc/16/80/50/265168050.db2.gz ZDXDBBWZOHDBED-UHFFFAOYSA-N -1 1 344.798 2.942 20 30 EFEDMM COC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(C)cc(C)c1 ZINC000189219463 265177133 /nfs/dbraw/zinc/17/71/33/265177133.db2.gz UJNUIBCKNHXEOO-QGZVFWFLSA-N -1 1 338.363 2.525 20 30 EFEDMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188578234 266133275 /nfs/dbraw/zinc/13/32/75/266133275.db2.gz AJDRWDQTVJAERJ-OAHLLOKOSA-N -1 1 338.363 2.566 20 30 EFEDMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1C#N 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RCUHADABXIBPMK-MRXNPFEDSA-N -1 1 341.798 2.704 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)[nH]n2)o1 ZINC000446644653 476901205 /nfs/dbraw/zinc/90/12/05/476901205.db2.gz ODXJGMOBUQMIJV-UHFFFAOYSA-N -1 1 328.353 2.651 20 30 EFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000010514745 471738108 /nfs/dbraw/zinc/73/81/08/471738108.db2.gz OXLFOBNFIRSDAS-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000014097419 471852654 /nfs/dbraw/zinc/85/26/54/471852654.db2.gz RYYCJUQPNQYPIP-UHFFFAOYSA-N -1 1 341.392 2.708 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000014097672 471852666 /nfs/dbraw/zinc/85/26/66/471852666.db2.gz VQPAZRYFXSUZRU-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCO3)n1 ZINC000067894069 472106502 /nfs/dbraw/zinc/10/65/02/472106502.db2.gz STYNCKMXEDCYHA-GFCCVEGCSA-N -1 1 342.376 2.745 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CC#N)c2)n1 ZINC000067897554 472106541 /nfs/dbraw/zinc/10/65/41/472106541.db2.gz VKPGRDZKSFICBL-ZDUSSCGKSA-N -1 1 339.376 2.876 20 30 EFEDMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000067917005 472109606 /nfs/dbraw/zinc/10/96/06/472109606.db2.gz JHINIEHOAHCQOL-QMMMGPOBSA-N -1 1 347.341 2.696 20 30 EFEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068370499 472178265 /nfs/dbraw/zinc/17/82/65/472178265.db2.gz DRCWICYWCVISRU-UHFFFAOYSA-N -1 1 335.338 2.750 20 30 EFEDMM C=CCCO[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068452411 472193728 /nfs/dbraw/zinc/19/37/28/472193728.db2.gz HLQCPDXKQZYFAU-LBPRGKRZSA-N -1 1 338.477 2.648 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C ZINC000055615371 472212801 /nfs/dbraw/zinc/21/28/01/472212801.db2.gz XVNKFCSTRKZPHD-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000055664170 472221781 /nfs/dbraw/zinc/22/17/81/472221781.db2.gz OCOLOYSCXLPFAS-UHFFFAOYSA-N -1 1 334.372 2.542 20 30 EFEDMM Cc1ccc(C#N)cc1NC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000085579254 472258099 /nfs/dbraw/zinc/25/80/99/472258099.db2.gz PPMRPJZNDOBGPY-UHFFFAOYSA-N -1 1 328.401 2.777 20 30 EFEDMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000031669219 472388872 /nfs/dbraw/zinc/38/88/72/472388872.db2.gz SJLLQSAEPZBMIF-UHFFFAOYSA-N -1 1 343.408 2.954 20 30 EFEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000076839260 472412838 /nfs/dbraw/zinc/41/28/38/472412838.db2.gz UUWMOGHPIPGANP-UHFFFAOYSA-N -1 1 334.372 2.687 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076935495 472427088 /nfs/dbraw/zinc/42/70/88/472427088.db2.gz RYEXPNYWOPUZGL-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM Cc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C#N)c1C ZINC000089556312 472459028 /nfs/dbraw/zinc/45/90/28/472459028.db2.gz HCWIOBLNCPUCIL-UHFFFAOYSA-N -1 1 336.395 2.770 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(-c3cccnc3)c2)c(=O)o1 ZINC000128833848 472501929 /nfs/dbraw/zinc/50/19/29/472501929.db2.gz YWAXQNBITZKLPB-IHHMQQGQSA-N -1 1 333.343 2.977 20 30 EFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCCCC2)cc1 ZINC000058200313 472516637 /nfs/dbraw/zinc/51/66/37/472516637.db2.gz PFSBGBIZOWINQW-UHFFFAOYSA-N -1 1 325.390 2.724 20 30 EFEDMM C=CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000071846397 472583276 /nfs/dbraw/zinc/58/32/76/472583276.db2.gz QOKSNXYYAGYRNE-UHFFFAOYSA-N -1 1 343.452 2.952 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)o1 ZINC000103717084 472643170 /nfs/dbraw/zinc/64/31/70/472643170.db2.gz QVPDJIOJLLZGSY-UKINESCASA-N -1 1 326.348 2.628 20 30 EFEDMM C=C(C)CN(CC)C(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657794 472749065 /nfs/dbraw/zinc/74/90/65/472749065.db2.gz HIMLOCANRNLTMW-UHFFFAOYSA-N -1 1 344.455 2.712 20 30 EFEDMM COc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1OC(C)C ZINC000105640311 472766052 /nfs/dbraw/zinc/76/60/52/472766052.db2.gz XNGAUPBHRUPSQO-JJEJIETFSA-N -1 1 344.363 2.711 20 30 EFEDMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2n1C ZINC000079051789 472812128 /nfs/dbraw/zinc/81/21/28/472812128.db2.gz HIWWFFLROJPFEQ-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM C[C@@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000064346456 472845350 /nfs/dbraw/zinc/84/53/50/472845350.db2.gz SNVFEDRXODGHNK-ZDUSSCGKSA-N -1 1 343.408 2.519 20 30 EFEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C ZINC000051655677 473060779 /nfs/dbraw/zinc/06/07/79/473060779.db2.gz MTDYPMKQPOADAT-JTQLQIEISA-N -1 1 329.310 2.963 20 30 EFEDMM Cc1nc(-c2ccc(NCc3ccc(C#N)cc3)nc2)[n-]c(=O)c1C ZINC000081017702 473131418 /nfs/dbraw/zinc/13/14/18/473131418.db2.gz FGGPSZFAIJCIIH-UHFFFAOYSA-N -1 1 331.379 2.933 20 30 EFEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C)o1 ZINC000095429690 473202179 /nfs/dbraw/zinc/20/21/79/473202179.db2.gz AJVAJDGLWWDSCU-UHFFFAOYSA-N -1 1 342.380 2.959 20 30 EFEDMM C#CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCc2ccccc21 ZINC000171564119 473411503 /nfs/dbraw/zinc/41/15/03/473411503.db2.gz GCONLASZCWSWKU-SFHVURJKSA-N -1 1 343.386 2.686 20 30 EFEDMM COC(=O)Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190896873 473423122 /nfs/dbraw/zinc/42/31/22/473423122.db2.gz IACZAZGIJCTVOB-OAHLLOKOSA-N -1 1 345.358 2.835 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(OC)c1 ZINC000114061408 473436078 /nfs/dbraw/zinc/43/60/78/473436078.db2.gz RAYLXKSPOVWRMN-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1[O-] ZINC000191062498 473468753 /nfs/dbraw/zinc/46/87/53/473468753.db2.gz PXMYFMFXFMYGTR-UHFFFAOYSA-N -1 1 341.798 2.880 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000114673370 473490675 /nfs/dbraw/zinc/49/06/75/473490675.db2.gz JGISSYWMGWWDPA-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673183 473490754 /nfs/dbraw/zinc/49/07/54/473490754.db2.gz GOCCBHPAUKYOEU-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000179770107 473722827 /nfs/dbraw/zinc/72/28/27/473722827.db2.gz HGFJKCKDMXIGGL-CYBMUJFWSA-N -1 1 340.427 2.544 20 30 EFEDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000187556123 473884145 /nfs/dbraw/zinc/88/41/45/473884145.db2.gz IRBKYCSPYGSDFU-NSHDSACASA-N -1 1 340.339 2.790 20 30 EFEDMM COc1ccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC000188216281 474021390 /nfs/dbraw/zinc/02/13/90/474021390.db2.gz YOPBQRDQHLGDSQ-UHFFFAOYSA-N -1 1 326.352 2.553 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1[O-] ZINC000188239539 474030254 /nfs/dbraw/zinc/03/02/54/474030254.db2.gz ZGGCSAUXEANNSH-MRXNPFEDSA-N -1 1 349.390 2.755 20 30 EFEDMM CCCC(=O)Nc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188314591 474055250 /nfs/dbraw/zinc/05/52/50/474055250.db2.gz NVLCRTHJWDDTOA-UHFFFAOYSA-N -1 1 337.379 2.932 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000188320911 474058889 /nfs/dbraw/zinc/05/88/89/474058889.db2.gz DRDRWKIZHJAFEK-NSHDSACASA-N -1 1 335.363 2.640 20 30 EFEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(C2CC2)no1 ZINC000188434157 474093428 /nfs/dbraw/zinc/09/34/28/474093428.db2.gz TZHNVQPGWHCQNC-CQSZACIVSA-N -1 1 326.356 2.651 20 30 EFEDMM COCCOc1cc(C)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188641196 474151059 /nfs/dbraw/zinc/15/10/59/474151059.db2.gz CWOJUMKVCLFYQB-UHFFFAOYSA-N -1 1 340.379 2.528 20 30 EFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](c2ccsc2)O1 ZINC000188659086 474156513 /nfs/dbraw/zinc/15/65/13/474156513.db2.gz AZPVIPJHYPTXDN-BDJLRTHQSA-N -1 1 328.393 2.928 20 30 EFEDMM N#Cc1ccc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc1[O-] ZINC000188658691 474156813 /nfs/dbraw/zinc/15/68/13/474156813.db2.gz HNBVYWOWIDORNU-INIZCTEOSA-N -1 1 326.352 2.678 20 30 EFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@H](c2ccsc2)O1 ZINC000188659113 474157490 /nfs/dbraw/zinc/15/74/90/474157490.db2.gz AZPVIPJHYPTXDN-MEDUHNTESA-N -1 1 328.393 2.928 20 30 EFEDMM CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188979752 474252030 /nfs/dbraw/zinc/25/20/30/474252030.db2.gz GWXJCUOETXTNTK-GFCCVEGCSA-N -1 1 332.400 2.846 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000289542451 474315734 /nfs/dbraw/zinc/31/57/34/474315734.db2.gz OFNYSSKZRDRZHE-SECBINFHSA-N -1 1 329.372 2.801 20 30 EFEDMM CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)CCO2 ZINC000189222761 474330734 /nfs/dbraw/zinc/33/07/34/474330734.db2.gz NBDALOXRYRBNFM-INIZCTEOSA-N -1 1 338.363 2.916 20 30 EFEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000190184077 474561245 /nfs/dbraw/zinc/56/12/45/474561245.db2.gz HRQLJPZJXQLWKV-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)cc2)c1OC ZINC000277120688 474578332 /nfs/dbraw/zinc/57/83/32/474578332.db2.gz AWPONVPWGJYMJH-MRXNPFEDSA-N -1 1 340.379 2.881 20 30 EFEDMM C=C[C@@](C)(CCOC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277415493 474584521 /nfs/dbraw/zinc/58/45/21/474584521.db2.gz CLLILEIKCDMMDG-HNNXBMFYSA-N -1 1 342.233 3.000 20 30 EFEDMM C#CCO[N-]C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000291340516 474600842 /nfs/dbraw/zinc/60/08/42/474600842.db2.gz VVFAGHGZIUPSEJ-HIFRSBDPSA-N -1 1 332.400 2.570 20 30 EFEDMM COc1c([O-])c(CN(CCC#N)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000278334819 474612525 /nfs/dbraw/zinc/61/25/25/474612525.db2.gz ZRSTYMCMUIRNNY-UHFFFAOYSA-N -1 1 342.355 2.620 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000184848731 474619589 /nfs/dbraw/zinc/61/95/89/474619589.db2.gz VJFZAEAVZDOKGA-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000340796838 474674333 /nfs/dbraw/zinc/67/43/33/474674333.db2.gz VRGLFHYWMFTBFV-UHFFFAOYSA-N -1 1 345.424 2.937 20 30 EFEDMM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccccc2Cl)nn1C ZINC000291798789 474693989 /nfs/dbraw/zinc/69/39/89/474693989.db2.gz AXPZJCIHKHSJJJ-UHFFFAOYSA-N -1 1 340.836 2.843 20 30 EFEDMM C=C(C)CCc1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000285162716 474912662 /nfs/dbraw/zinc/91/26/62/474912662.db2.gz PRKKGJFWZSQGTL-SNVBAGLBSA-N -1 1 327.431 2.679 20 30 EFEDMM N#Cc1ccc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000339122735 474947777 /nfs/dbraw/zinc/94/77/77/474947777.db2.gz MRKMIISAXPBTCM-UHFFFAOYSA-N -1 1 334.335 2.671 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341079807 474950539 /nfs/dbraw/zinc/95/05/39/474950539.db2.gz HLQMBMSIDPFZED-HZMBPMFUSA-N -1 1 333.812 2.739 20 30 EFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc4[nH]c(=O)oc43)nc1-2 ZINC000337424599 475003007 /nfs/dbraw/zinc/00/30/07/475003007.db2.gz CKMSONSHGPSFAJ-JTQLQIEISA-N -1 1 333.307 2.603 20 30 EFEDMM CCCSc1nc(=NC(=O)N2CCN3CCCC[C@H]3C2)s[n-]1 ZINC000330020598 475184872 /nfs/dbraw/zinc/18/48/72/475184872.db2.gz WSAKYUJKSZWEJP-NSHDSACASA-N -1 1 341.506 2.756 20 30 EFEDMM CC(C)n1ncc2c1C[C@H](NC(=O)c1csc(=NC3CC3)[n-]1)CC2 ZINC000330175728 475208466 /nfs/dbraw/zinc/20/84/66/475208466.db2.gz ZWQCAFMDMYCQLO-CYBMUJFWSA-N -1 1 345.472 2.779 20 30 EFEDMM CCc1ccc([C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)CCN2)cc1 ZINC000337660868 475219231 /nfs/dbraw/zinc/21/92/31/475219231.db2.gz PTWCPIYKDFZUIW-GOSISDBHSA-N -1 1 335.407 2.613 20 30 EFEDMM Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)[n-]c(=O)c1C ZINC000330665786 475264483 /nfs/dbraw/zinc/26/44/83/475264483.db2.gz AFORHYPNPCEHCL-GFCCVEGCSA-N -1 1 334.445 2.622 20 30 EFEDMM CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000331270626 475331778 /nfs/dbraw/zinc/33/17/78/475331778.db2.gz MNGAXWXVJFDETA-AWEZNQCLSA-N -1 1 330.384 2.600 20 30 EFEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331229070 475323723 /nfs/dbraw/zinc/32/37/23/475323723.db2.gz ZNJYWXZYZKHAPG-RXMQYKEDSA-N -1 1 343.655 2.744 20 30 EFEDMM Cc1ccc(NC(=O)[C@H](C)C#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000345809523 475471028 /nfs/dbraw/zinc/47/10/28/475471028.db2.gz DUIXIIVXMMULKC-CYBMUJFWSA-N -1 1 343.408 2.894 20 30 EFEDMM Cc1ccc(NC(=O)[C@@H](C)C#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000345809524 475471499 /nfs/dbraw/zinc/47/14/99/475471499.db2.gz DUIXIIVXMMULKC-ZDUSSCGKSA-N -1 1 343.408 2.894 20 30 EFEDMM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000342395410 475594380 /nfs/dbraw/zinc/59/43/80/475594380.db2.gz LZRKMGOVXZUMFA-AWEZNQCLSA-N -1 1 348.362 2.933 20 30 EFEDMM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000353081420 475689395 /nfs/dbraw/zinc/68/93/95/475689395.db2.gz UAIJQRKOPOONHY-MRVPVSSYSA-N -1 1 342.219 2.595 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCN[C@H](c3cccc(Cl)c3)C2)cc1[O-] ZINC000338257351 475717495 /nfs/dbraw/zinc/71/74/95/475717495.db2.gz LKBVMGATRGTOLA-INIZCTEOSA-N -1 1 341.798 2.704 20 30 EFEDMM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2C#N)[n-]c(=O)c1C ZINC000346713813 475789862 /nfs/dbraw/zinc/78/98/62/475789862.db2.gz HLICTBHLZWYRSO-LLVKDONJSA-N -1 1 328.397 2.790 20 30 EFEDMM N#Cc1cc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)ccc1F ZINC000361876303 475830395 /nfs/dbraw/zinc/83/03/95/475830395.db2.gz DTOOAXVEBGNQIA-UHFFFAOYSA-N -1 1 334.310 2.904 20 30 EFEDMM Cc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1C(=O)[O-] ZINC000362124725 476016297 /nfs/dbraw/zinc/01/62/97/476016297.db2.gz MJGOERYRIUSVOC-UHFFFAOYSA-N -1 1 330.365 2.674 20 30 EFEDMM N#C[C@@H]([N-]S(=O)(=O)c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000356155805 476087421 /nfs/dbraw/zinc/08/74/21/476087421.db2.gz VDOZGRZNEAADHW-CYBMUJFWSA-N -1 1 341.314 2.644 20 30 EFEDMM CC[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000338666209 476099037 /nfs/dbraw/zinc/09/90/37/476099037.db2.gz ORXVRATWDILYFJ-AWEZNQCLSA-N -1 1 343.408 2.519 20 30 EFEDMM CCc1c(C)sc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)c1C#N ZINC000353666958 476171252 /nfs/dbraw/zinc/17/12/52/476171252.db2.gz DXVWQJFSMBRBOW-UHFFFAOYSA-N -1 1 338.410 2.739 20 30 EFEDMM CCOc1cc(C(=O)N2CCC(F)(C#N)CC2)cc(Cl)c1[O-] ZINC000359391869 476230247 /nfs/dbraw/zinc/23/02/47/476230247.db2.gz QTXHATLVPPSJRR-UHFFFAOYSA-N -1 1 326.755 2.912 20 30 EFEDMM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344308011 476236001 /nfs/dbraw/zinc/23/60/01/476236001.db2.gz SGRLYFSWBJYFMN-UHFFFAOYSA-N -1 1 334.397 2.516 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2cccc3ccccc32)o1 ZINC000344310982 476239767 /nfs/dbraw/zinc/23/97/67/476239767.db2.gz VUGRDMACTYABQY-UHFFFAOYSA-N -1 1 342.376 2.662 20 30 EFEDMM C[C@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000344327810 476254910 /nfs/dbraw/zinc/25/49/10/476254910.db2.gz UHEMVDYMXUJYAX-GFCCVEGCSA-N -1 1 329.381 2.586 20 30 EFEDMM Cc1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n[nH]1 ZINC000357267185 476309594 /nfs/dbraw/zinc/30/95/94/476309594.db2.gz VXGBJTNHBIJAHD-UHFFFAOYSA-N -1 1 338.396 2.703 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1C ZINC000357486972 476412564 /nfs/dbraw/zinc/41/25/64/476412564.db2.gz SRCXJIAWVRGQSM-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000351892963 476504986 /nfs/dbraw/zinc/50/49/86/476504986.db2.gz XIFQGQPMJUFBSB-CLAHSXSESA-N -1 1 344.387 2.655 20 30 EFEDMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](CCCC#N)c1ccccc1)c2=O ZINC000352166369 476528064 /nfs/dbraw/zinc/52/80/64/476528064.db2.gz NGZOIIWPERVHFK-MRXNPFEDSA-N -1 1 349.394 2.839 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3cccc(Cl)c3)CC2)o1 ZINC000451997496 476767858 /nfs/dbraw/zinc/76/78/58/476767858.db2.gz ADCAPFDDKZJJPG-UHFFFAOYSA-N -1 1 336.800 2.858 20 30 EFEDMM Cc1noc(C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc2)n1 ZINC000430423906 476830324 /nfs/dbraw/zinc/83/03/24/476830324.db2.gz HKQUCHHSHKRLHQ-INIZCTEOSA-N -1 1 348.362 2.669 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)[nH]n2)o1 ZINC000446619457 476896094 /nfs/dbraw/zinc/89/60/94/476896094.db2.gz FZOGCFHJQNJZCS-UHFFFAOYSA-N -1 1 342.380 2.959 20 30 EFEDMM COc1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2s1 ZINC000430976761 476956587 /nfs/dbraw/zinc/95/65/87/476956587.db2.gz IBGNIWCJQANMAY-UHFFFAOYSA-N -1 1 345.405 2.977 20 30 EFEDMM Cc1ccnc2nc(C(=O)[N-]c3scc(C(C)(C)C)c3C#N)nn21 ZINC000410926948 477078555 /nfs/dbraw/zinc/07/85/55/477078555.db2.gz JJWRSKXPOGPUSA-UHFFFAOYSA-N -1 1 340.412 2.916 20 30 EFEDMM COC(=O)c1c[n-]c(SCc2ccc(C#N)cc2OC(F)F)n1 ZINC000432657405 477247369 /nfs/dbraw/zinc/24/73/69/477247369.db2.gz KQUBEAGIJULXEP-UHFFFAOYSA-N -1 1 339.323 2.962 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)o1 ZINC000376244211 477248037 /nfs/dbraw/zinc/24/80/37/477248037.db2.gz SSHBCZFEDHVVBF-CQSZACIVSA-N -1 1 345.405 2.676 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCOCC2)o1 ZINC000376274565 477262559 /nfs/dbraw/zinc/26/25/59/477262559.db2.gz OUBPNHXMYZLROO-KRWDZBQOSA-N -1 1 346.408 2.597 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(c1ccccn1)C2 ZINC000416962323 477389610 /nfs/dbraw/zinc/38/96/10/477389610.db2.gz TVRILOGROVHPSM-CQSZACIVSA-N -1 1 342.424 2.646 20 30 EFEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1Cl ZINC000424624940 477457381 /nfs/dbraw/zinc/45/73/81/477457381.db2.gz RSYBCYSGVTVNIZ-OAHLLOKOSA-N -1 1 335.791 2.554 20 30 EFEDMM C=C[C@@H](CCC(=O)[O-])NCc1cc(OC)ccc1Br ZINC000417627048 477459917 /nfs/dbraw/zinc/45/99/17/477459917.db2.gz PDTCCSFLJLSERQ-NSHDSACASA-N -1 1 328.206 2.967 20 30 EFEDMM C=C[C@@H](CCC(=O)[O-])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000417614406 477459930 /nfs/dbraw/zinc/45/99/30/477459930.db2.gz VOWACBQBKDPROQ-JTQLQIEISA-N -1 1 338.770 2.569 20 30 EFEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436626893 477536082 /nfs/dbraw/zinc/53/60/82/477536082.db2.gz SSWCGFSGRKGTAO-UHFFFAOYSA-N -1 1 327.340 2.658 20 30 EFEDMM N#CC1(F)CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436841121 477609213 /nfs/dbraw/zinc/60/92/13/477609213.db2.gz UWKZJWZFTJNVOO-UHFFFAOYSA-N -1 1 327.153 2.623 20 30 EFEDMM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(OC)cc1[O-] ZINC000436852600 477613006 /nfs/dbraw/zinc/61/30/06/477613006.db2.gz AULRCOBWTOZFSQ-UHFFFAOYSA-N -1 1 342.351 2.550 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425195779 477667656 /nfs/dbraw/zinc/66/76/56/477667656.db2.gz VGWPEOFDJGKJJC-FZMZJTMJSA-N -1 1 331.384 2.533 20 30 EFEDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)c1C ZINC000451004409 477789276 /nfs/dbraw/zinc/78/92/76/477789276.db2.gz NFZCXUOEABVMQC-UHFFFAOYSA-N -1 1 338.820 2.801 20 30 EFEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C ZINC000558589086 477891407 /nfs/dbraw/zinc/89/14/07/477891407.db2.gz XGAUKQWDQKEGSS-UHFFFAOYSA-N -1 1 344.318 2.718 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000439242857 477948857 /nfs/dbraw/zinc/94/88/57/477948857.db2.gz CLWJLAOKNNILLH-UHFFFAOYSA-N -1 1 331.397 2.718 20 30 EFEDMM CSc1[n-]c(=O)c(C(=O)Nc2cccc3[nH]cnc32)cc1C#N ZINC000439340273 477965939 /nfs/dbraw/zinc/96/59/39/477965939.db2.gz LIRUPYLHNPBSFZ-UHFFFAOYSA-N -1 1 325.353 2.509 20 30 EFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000494990288 478097929 /nfs/dbraw/zinc/09/79/29/478097929.db2.gz ITDVHGHIDPRHDY-UHFFFAOYSA-N -1 1 349.343 2.676 20 30 EFEDMM C=CCn1cccc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000488073325 478114869 /nfs/dbraw/zinc/11/48/69/478114869.db2.gz HDUIZCZUVALAMZ-NSHDSACASA-N -1 1 329.381 2.797 20 30 EFEDMM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451804879 478209998 /nfs/dbraw/zinc/20/99/98/478209998.db2.gz WQHRFBACGYWDOM-UHFFFAOYSA-N -1 1 347.209 2.704 20 30 EFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600352985 478346806 /nfs/dbraw/zinc/34/68/06/478346806.db2.gz DTAOUCRIWPAXSF-LRDDRELGSA-N -1 1 344.411 2.704 20 30 EFEDMM C#CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCCCC1 ZINC000490590761 478357830 /nfs/dbraw/zinc/35/78/30/478357830.db2.gz UTJFFUUVDQNKFF-UHFFFAOYSA-N -1 1 347.484 2.940 20 30 EFEDMM C#CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000490655425 478365906 /nfs/dbraw/zinc/36/59/06/478365906.db2.gz AEOYSWXVJKDVDR-UHFFFAOYSA-N -1 1 342.420 2.629 20 30 EFEDMM N#CC(=C([O-])c1ccnc(N2CCCCC2)n1)c1nc2ccccc2[nH]1 ZINC000525327502 478394189 /nfs/dbraw/zinc/39/41/89/478394189.db2.gz SCAYKGXDNRJAAB-ZDUSSCGKSA-N -1 1 346.394 2.833 20 30 EFEDMM C#C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000491286908 478498053 /nfs/dbraw/zinc/49/80/53/478498053.db2.gz JXTHDVZELQTUNK-AWEZNQCLSA-N -1 1 342.420 2.581 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(F)c1C ZINC000594700283 478502564 /nfs/dbraw/zinc/50/25/64/478502564.db2.gz PFUUFGAVGNFBCM-QMMMGPOBSA-N -1 1 335.198 2.941 20 30 EFEDMM Cc1cc(-c2cc(C#N)ccc2[O-])ccc1OCCN1CCOCC1 ZINC000600778859 478517559 /nfs/dbraw/zinc/51/75/59/478517559.db2.gz IVAFFROLLOUQJZ-UHFFFAOYSA-N -1 1 338.407 2.950 20 30 EFEDMM COC(=O)C1CCN(c2ccc(-c3ccc([O-])c(C#N)c3)cn2)CC1 ZINC000600780205 478518108 /nfs/dbraw/zinc/51/81/08/478518108.db2.gz OSZXKOATOGADKL-UHFFFAOYSA-N -1 1 337.379 2.715 20 30 EFEDMM C=CCOc1ccc(C=CC(=O)Nc2nc(SC)n[nH]2)cc1OC ZINC000491386637 478532054 /nfs/dbraw/zinc/53/20/54/478532054.db2.gz PNIWWXZBCFMHHV-SOFGYWHQSA-N -1 1 346.412 2.752 20 30 EFEDMM C=CCCSCC[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000594814594 478549651 /nfs/dbraw/zinc/54/96/51/478549651.db2.gz CISHRQOUOSFBJM-UHFFFAOYSA-N -1 1 337.413 2.561 20 30 EFEDMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591536819 478577255 /nfs/dbraw/zinc/57/72/55/478577255.db2.gz QJPXJTSOVMKGJR-GXTWGEPZSA-N -1 1 344.411 2.846 20 30 EFEDMM CCc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)[n-]c(=O)c1C ZINC000594905287 478579224 /nfs/dbraw/zinc/57/92/24/478579224.db2.gz XIRNAZSUPFPYFN-LBPRGKRZSA-N -1 1 348.472 2.876 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000597979622 478605290 /nfs/dbraw/zinc/60/52/90/478605290.db2.gz XQNPCAWRQJICJJ-AWEZNQCLSA-N -1 1 342.317 2.884 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)cc1[O-] ZINC000571552294 478623738 /nfs/dbraw/zinc/62/37/38/478623738.db2.gz JARRJHFKDWDNJN-QGZVFWFLSA-N -1 1 326.396 2.685 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000591810771 478637434 /nfs/dbraw/zinc/63/74/34/478637434.db2.gz HOLUWPFTRHVGTL-QGZVFWFLSA-N -1 1 326.396 2.685 20 30 EFEDMM C#C[C@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000491780988 478675003 /nfs/dbraw/zinc/67/50/03/478675003.db2.gz JNURIIPITFWITG-OAHLLOKOSA-N -1 1 342.420 2.629 20 30 EFEDMM C[C@@H](C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1)NC(=O)OC(C)(C)C ZINC000496679772 478682845 /nfs/dbraw/zinc/68/28/45/478682845.db2.gz UENYNBNNQYJFAD-RYUDHWBXSA-N -1 1 347.415 2.685 20 30 EFEDMM C[C@H](C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1)NC(=O)OC(C)(C)C ZINC000496679774 478683042 /nfs/dbraw/zinc/68/30/42/478683042.db2.gz UENYNBNNQYJFAD-VXGBXAGGSA-N -1 1 347.415 2.685 20 30 EFEDMM C=C[C@H](C)ONC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000497197066 478737199 /nfs/dbraw/zinc/73/71/99/478737199.db2.gz QFXZDYVXTOEFLF-QMMMGPOBSA-N -1 1 348.277 2.739 20 30 EFEDMM COCCCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000528913968 478984878 /nfs/dbraw/zinc/98/48/78/478984878.db2.gz PJSXGISPEPFZMP-MRXNPFEDSA-N -1 1 334.379 2.958 20 30 EFEDMM N#Cc1[n-]c(=NCC2(N3CCOCC3)CCCCC2)sc1Cl ZINC000596053425 479109860 /nfs/dbraw/zinc/10/98/60/479109860.db2.gz DVFWTEGGNIMBTQ-UHFFFAOYSA-N -1 1 340.880 2.537 20 30 EFEDMM 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ACONVAYJLKGCBR-UHFFFAOYSA-N -1 1 347.383 2.775 20 30 EFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000611114270 479285039 /nfs/dbraw/zinc/28/50/39/479285039.db2.gz DASQKQJEVMBAEK-SNVBAGLBSA-N -1 1 349.225 2.805 20 30 EFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000611114269 479285437 /nfs/dbraw/zinc/28/54/37/479285437.db2.gz DASQKQJEVMBAEK-JTQLQIEISA-N -1 1 349.225 2.805 20 30 EFEDMM CC(C)[C@H](C#N)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000611280124 479335189 /nfs/dbraw/zinc/33/51/89/479335189.db2.gz VPCVNKYMENNMIM-SFHVURJKSA-N -1 1 337.423 2.851 20 30 EFEDMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589160079 479488109 /nfs/dbraw/zinc/48/81/09/479488109.db2.gz PGKCRDRVEZVHOP-UHFFFAOYSA-N -1 1 340.379 2.943 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)c1 ZINC000589184691 479492911 /nfs/dbraw/zinc/49/29/11/479492911.db2.gz WXCUJWQWQAOZAT-UHFFFAOYSA-N -1 1 341.277 2.579 20 30 EFEDMM N#Cc1cccc(OC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 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CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(OC)c2)n1 ZINC000357780767 535728318 /nfs/dbraw/zinc/72/83/18/535728318.db2.gz QDBJWTXDEGXTEA-SNVBAGLBSA-N -1 1 348.355 2.958 20 30 EFEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000427303674 536605756 /nfs/dbraw/zinc/60/57/56/536605756.db2.gz CDRROGRDNBFFDO-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM COCCOc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354473380 536634436 /nfs/dbraw/zinc/63/44/36/536634436.db2.gz WDOBTQKGBOHFFR-CYBMUJFWSA-N -1 1 331.759 2.645 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000358835611 536885578 /nfs/dbraw/zinc/88/55/78/536885578.db2.gz WOSIXODBMZQRQM-ZDUSSCGKSA-N -1 1 348.346 2.576 20 30 EFEDMM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(C)s1 ZINC000673736484 547945464 /nfs/dbraw/zinc/94/54/64/547945464.db2.gz UKTIDRWZFFAPKE-UHFFFAOYSA-N -1 1 341.396 2.849 20 30 EFEDMM C=C[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC000677644470 548741124 /nfs/dbraw/zinc/74/11/24/548741124.db2.gz PYMPFVNIUDNFNH-KBXCAEBGSA-N -1 1 333.395 2.765 20 30 EFEDMM Cc1ccc(F)c2c1C(=N[N-]c1ccc(C(F)(F)F)nn1)C(=O)N2 ZINC000754708904 575475434 /nfs/dbraw/zinc/47/54/34/575475434.db2.gz JADOMQWLONRXFB-UHFFFAOYSA-N -1 1 339.252 2.711 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000756898879 575798532 /nfs/dbraw/zinc/79/85/32/575798532.db2.gz GCGMCSGCUCBWSO-UHFFFAOYSA-N -1 1 337.339 2.625 20 30 EFEDMM COc1ccc2c(c1)OCC2N=Nc1ccc(C(=O)[O-])cc1OC ZINC000756901299 575798925 /nfs/dbraw/zinc/79/89/25/575798925.db2.gz NYGLCXCKXSBWHG-UHFFFAOYSA-N -1 1 328.324 2.611 20 30 EFEDMM COc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc1OC ZINC000756905760 575799652 /nfs/dbraw/zinc/79/96/52/575799652.db2.gz IQDMLMOVPZRYEL-UHFFFAOYSA-N -1 1 330.340 2.857 20 30 EFEDMM CC(=NNc1nc2ccccc2c(=O)n1C)c1cc(F)cc(F)c1[O-] ZINC000757459988 575839745 /nfs/dbraw/zinc/83/97/45/575839745.db2.gz KOJJBSYEYRSKNX-UHFFFAOYSA-N -1 1 344.321 2.753 20 30 EFEDMM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1 ZINC000757468411 575839868 /nfs/dbraw/zinc/83/98/68/575839868.db2.gz VAGRGOQADYUYGS-QPJJXVBHSA-N -1 1 328.320 2.847 20 30 EFEDMM O=C(/C=C\c1ccc(-n2cncn2)c(F)c1)c1cc(O)ccc1[O-] ZINC000757467677 575839901 /nfs/dbraw/zinc/83/99/01/575839901.db2.gz JEUOAZOKTJOBRT-DJWKRKHSSA-N -1 1 325.299 2.714 20 30 EFEDMM COc1ccc(O)c(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000757467773 575839931 /nfs/dbraw/zinc/83/99/31/575839931.db2.gz KVRCNWJFYYTPBF-HYXAFXHYSA-N -1 1 345.307 2.919 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1OCC#N ZINC000757467042 575839937 /nfs/dbraw/zinc/83/99/37/575839937.db2.gz BCOVDBLBMQBXER-GORDUTHDSA-N -1 1 325.320 2.905 20 30 EFEDMM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1)C(=O)[O-] ZINC000757473411 575840398 /nfs/dbraw/zinc/84/03/98/575840398.db2.gz XCZLCYVFLQDWJS-BWNDKRECSA-N -1 1 328.320 2.846 20 30 EFEDMM COC(=O)[C@H](C)Oc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1 ZINC000758431261 575869585 /nfs/dbraw/zinc/86/95/85/575869585.db2.gz WBFKELIXCWICEG-DTQASYIRSA-N -1 1 340.331 2.949 20 30 EFEDMM O=[N+]([O-])c1cccnc1N=NCc1cccc(Br)c1[O-] ZINC000759200443 575886867 /nfs/dbraw/zinc/88/68/67/575886867.db2.gz BRQGBYLCXQHESK-UHFFFAOYSA-N -1 1 337.133 2.904 20 30 EFEDMM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000760360883 576012209 /nfs/dbraw/zinc/01/22/09/576012209.db2.gz IHNRVWPOUHMGOC-UHFFFAOYSA-N -1 1 334.372 2.712 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C(F)(F)F)s2)c(=O)o1 ZINC000761473896 576167532 /nfs/dbraw/zinc/16/75/32/576167532.db2.gz IXPWWXWBFYSPLA-FXMSTWTQSA-N -1 1 330.283 2.995 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2nc3ccc(F)cc3s2)c(=O)o1 ZINC000761476147 576167935 /nfs/dbraw/zinc/16/79/35/576167935.db2.gz RKUKZJJAODILRU-XVWMLYKFSA-N -1 1 331.324 2.664 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Br)ncc1F ZINC000762410647 576299519 /nfs/dbraw/zinc/29/95/19/576299519.db2.gz MKDRZZCAHACNCV-UHFFFAOYSA-N -1 1 340.156 2.623 20 30 EFEDMM N#Cc1ccnc(NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000764932917 576525916 /nfs/dbraw/zinc/52/59/16/576525916.db2.gz AQEXCBGPBDQKNG-UHFFFAOYSA-N -1 1 349.144 2.942 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNCCCOc3ccccc3)n[nH]c2c1 ZINC000765578340 577055950 /nfs/dbraw/zinc/05/59/50/577055950.db2.gz YIXYFVBOKRNXPB-UHFFFAOYSA-N -1 1 338.367 2.654 20 30 EFEDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000766048289 577101776 /nfs/dbraw/zinc/10/17/76/577101776.db2.gz QWPACDACDHFTSN-UHFFFAOYSA-N -1 1 330.365 2.576 20 30 EFEDMM Cc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1Cl ZINC000766434211 577149494 /nfs/dbraw/zinc/14/94/94/577149494.db2.gz MLULTPVPZXFVTB-UHFFFAOYSA-N -1 1 333.800 2.721 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000766473320 577155516 /nfs/dbraw/zinc/15/55/16/577155516.db2.gz BZTYOAOVIVHETG-UHFFFAOYSA-N -1 1 347.403 2.958 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000766548275 577165049 /nfs/dbraw/zinc/16/50/49/577165049.db2.gz QKWFJMFGBGMXPY-UHFFFAOYSA-N -1 1 326.377 2.680 20 30 EFEDMM COc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)nc1Cl ZINC000766845562 577184816 /nfs/dbraw/zinc/18/48/16/577184816.db2.gz DSEGECCHKVBKEI-JTQLQIEISA-N -1 1 345.790 2.552 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(F)cc2Cl)c2ccccc21 ZINC000767770117 577233072 /nfs/dbraw/zinc/23/30/72/577233072.db2.gz FCBKAHJOBUWMOW-UHFFFAOYSA-N -1 1 337.763 2.552 20 30 EFEDMM CC1(C)CCCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000767788497 577234227 /nfs/dbraw/zinc/23/42/27/577234227.db2.gz MFXYNWMUWAEWIW-UHFFFAOYSA-N -1 1 325.390 2.829 20 30 EFEDMM N#Cc1ccccc1N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000725897898 577276785 /nfs/dbraw/zinc/27/67/85/577276785.db2.gz AYEAFDZZVNASHB-UHFFFAOYSA-N -1 1 341.798 2.880 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1csc(C(C)C)n1 ZINC000768774349 577301261 /nfs/dbraw/zinc/30/12/61/577301261.db2.gz SQXSFQTXAIENQP-UHFFFAOYSA-N -1 1 348.453 2.729 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000726737025 577382175 /nfs/dbraw/zinc/38/21/75/577382175.db2.gz FBTHXHQDXWHPCQ-UHFFFAOYSA-N -1 1 346.293 2.779 20 30 EFEDMM CC(C[C@@H]1CCOC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769808072 577386940 /nfs/dbraw/zinc/38/69/40/577386940.db2.gz AILKKWIWKYNMMW-NSHDSACASA-N -1 1 332.408 2.501 20 30 EFEDMM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc(O)cc1 ZINC000769810217 577387082 /nfs/dbraw/zinc/38/70/82/577387082.db2.gz MQSCJJLDVOHKRS-UHFFFAOYSA-N -1 1 340.387 2.829 20 30 EFEDMM CC(CCc1ccc(F)cc1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769816299 577387365 /nfs/dbraw/zinc/38/73/65/577387365.db2.gz FDAGYHJNAZTVCD-UHFFFAOYSA-N -1 1 328.351 2.629 20 30 EFEDMM CCO[C@@H]1CC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C12CCCCC2 ZINC000769819922 577387821 /nfs/dbraw/zinc/38/78/21/577387821.db2.gz QERUGVSTAOJNIO-CYBMUJFWSA-N -1 1 344.419 2.596 20 30 EFEDMM COc1c([O-])c(C=NNc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000772990240 581386186 /nfs/dbraw/zinc/38/61/86/581386186.db2.gz MJLSPSCEZPOGMT-UHFFFAOYSA-N -1 1 332.272 2.663 20 30 EFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000773055770 581391609 /nfs/dbraw/zinc/39/16/09/581391609.db2.gz JTQHCKIDPVIAPI-SFYZADRCSA-N -1 1 340.253 2.514 20 30 EFEDMM CC(Cc1ccc(Cl)cc1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000773203872 581404920 /nfs/dbraw/zinc/40/49/20/581404920.db2.gz XWPPWYXJRSBKMA-UHFFFAOYSA-N -1 1 330.779 2.753 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C)c3C#N)[nH]n2)o1 ZINC000773278302 581413262 /nfs/dbraw/zinc/41/32/62/581413262.db2.gz BVZKOQHPMDUGNQ-UHFFFAOYSA-N -1 1 342.380 2.959 20 30 EFEDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000773564685 581446068 /nfs/dbraw/zinc/44/60/68/581446068.db2.gz GTWODSDECLQQKL-SNVBAGLBSA-N -1 1 328.299 2.587 20 30 EFEDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccccc1C#N ZINC000773567919 581446618 /nfs/dbraw/zinc/44/66/18/581446618.db2.gz OJZMLKWYGJOMJE-SNVBAGLBSA-N -1 1 328.299 2.587 20 30 EFEDMM O=S1(=O)[N-]C(=NN=CCSCc2ccccc2)c2ccccc21 ZINC000774362391 581490268 /nfs/dbraw/zinc/49/02/68/581490268.db2.gz IQYULFALJSLRFD-UHFFFAOYSA-N -1 1 345.449 2.644 20 30 EFEDMM O=c1nc(C=N[O-])ccn1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000774760817 581500184 /nfs/dbraw/zinc/50/01/84/581500184.db2.gz GQQVIUAVUZNZON-UHFFFAOYSA-N -1 1 348.334 2.501 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C12CCC2 ZINC000736612585 599032290 /nfs/dbraw/zinc/03/22/90/599032290.db2.gz AGNJVCAKNSIWHV-LLVKDONJSA-N -1 1 345.407 2.725 20 30 EFEDMM Cc1cc(N)cc(C)c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826269266 607783529 /nfs/dbraw/zinc/78/35/29/607783529.db2.gz GQFFSVVRSLFHFA-UHFFFAOYSA-N -1 1 340.391 2.623 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(OCC(=O)[O-])c3)[nH]c21 ZINC000738746689 600519594 /nfs/dbraw/zinc/51/95/94/600519594.db2.gz KAFVUEIYCMWBAG-CQSZACIVSA-N -1 1 349.346 2.825 20 30 EFEDMM N#Cc1ccc([C@H](N[C@H](Cn2cccn2)c2ccccc2)C(=O)[O-])cc1 ZINC000739108688 600799942 /nfs/dbraw/zinc/79/99/42/600799942.db2.gz WHKUJPOJWQBFBW-MOPGFXCFSA-N -1 1 346.390 2.912 20 30 EFEDMM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1 ZINC000832311121 601309623 /nfs/dbraw/zinc/30/96/23/601309623.db2.gz QPVAVVOWNNEJHM-GOSISDBHSA-N -1 1 340.379 2.833 20 30 EFEDMM CN(Cc1ccc([S@@](C)=O)cc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830840471 601385638 /nfs/dbraw/zinc/38/56/38/601385638.db2.gz OCYZJZMIPKQWHV-BXKMTCNYSA-N -1 1 342.420 2.553 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000825702275 601500862 /nfs/dbraw/zinc/50/08/62/601500862.db2.gz HMRRNUIZKOKBAO-OLZOCXBDSA-N -1 1 334.441 2.556 20 30 EFEDMM C[C@H](Oc1ccc(CN=Nc2cnnc3ccccc23)cc1)C(=O)[O-] ZINC000794912636 602075737 /nfs/dbraw/zinc/07/57/37/602075737.db2.gz IPLYVVTVBRMXEY-LBPRGKRZSA-N -1 1 336.351 2.928 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(-c3ccccn3)c2)o1 ZINC000826322748 607653623 /nfs/dbraw/zinc/65/36/23/607653623.db2.gz AINLGZDHDUEWBI-UHFFFAOYSA-N -1 1 346.354 2.671 20 30 EFEDMM N#Cc1ccc([C@H](NCc2cccc3c2OCCCO3)C(=O)[O-])cc1 ZINC000833071432 604400870 /nfs/dbraw/zinc/40/08/70/604400870.db2.gz GCMOKZDLEIIBOU-KRWDZBQOSA-N -1 1 338.363 2.635 20 30 EFEDMM N#Cc1cccc([C@H](NCc2cccc3c2OCCCO3)C(=O)[O-])c1 ZINC000833076232 604401466 /nfs/dbraw/zinc/40/14/66/604401466.db2.gz SCGOPBFMIGONPB-KRWDZBQOSA-N -1 1 338.363 2.635 20 30 EFEDMM CC(=NNc1ccccc1S(C)(=O)=O)c1ccc(C(=O)[O-])cc1 ZINC000731933213 604639690 /nfs/dbraw/zinc/63/96/90/604639690.db2.gz KUIBETCQANRJQX-UHFFFAOYSA-N -1 1 332.381 2.624 20 30 EFEDMM C=CCc1cc(CN2CCSC[C@H]2CC(=O)[O-])cc(OC)c1O ZINC000833379596 604660132 /nfs/dbraw/zinc/66/01/32/604660132.db2.gz HROFPGZUQSDGQJ-CQSZACIVSA-N -1 1 337.441 2.521 20 30 EFEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1nc2cc(F)c(F)cc2[nH]1 ZINC000833407138 605039203 /nfs/dbraw/zinc/03/92/03/605039203.db2.gz RNLPMHSURFOYQE-MRVPVSSYSA-N -1 1 333.298 2.734 20 30 EFEDMM COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833733866 605128217 /nfs/dbraw/zinc/12/82/17/605128217.db2.gz UITSEUNWKCHBIU-LLVKDONJSA-N -1 1 326.352 2.821 20 30 EFEDMM COc1ccc2nc(NN=Cc3cccn3CC(=O)[O-])c(C)cc2c1 ZINC000833735364 605287805 /nfs/dbraw/zinc/28/78/05/605287805.db2.gz XRYUUQTXJASGTE-UHFFFAOYSA-N -1 1 338.367 2.884 20 30 EFEDMM C=C(Br)CN[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833367734 605299641 /nfs/dbraw/zinc/29/96/41/605299641.db2.gz SPXBRRODVFJGQU-SNVBAGLBSA-N -1 1 341.205 2.600 20 30 EFEDMM C=C(C)[C@@H]1CC=C(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000819722404 606135092 /nfs/dbraw/zinc/13/50/92/606135092.db2.gz IOMULXRWPXAVLZ-CYBMUJFWSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)[C@@H]1CC=C(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000819722404 606135094 /nfs/dbraw/zinc/13/50/94/606135094.db2.gz IOMULXRWPXAVLZ-CYBMUJFWSA-N -1 1 325.372 2.721 20 30 EFEDMM N#Cc1cccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000822837637 606945000 /nfs/dbraw/zinc/94/50/00/606945000.db2.gz PXCFKBADWLQEFW-UHFFFAOYSA-N -1 1 331.364 2.833 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCc3ccc(Cl)cc32)o1 ZINC000826323198 608054183 /nfs/dbraw/zinc/05/41/83/608054183.db2.gz UOZQYHVHXTUXJD-UHFFFAOYSA-N -1 1 343.778 2.969 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000826365376 608092036 /nfs/dbraw/zinc/09/20/36/608092036.db2.gz LNIZHWJAGMLOLW-HYXAFXHYSA-N -1 1 336.380 2.711 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000826365376 608092037 /nfs/dbraw/zinc/09/20/37/608092037.db2.gz LNIZHWJAGMLOLW-HYXAFXHYSA-N -1 1 336.380 2.711 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000826191122 608092647 /nfs/dbraw/zinc/09/26/47/608092647.db2.gz XTALKFODKFPLOR-GQCTYLIASA-N -1 1 342.380 2.842 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000826191122 608092648 /nfs/dbraw/zinc/09/26/48/608092648.db2.gz XTALKFODKFPLOR-GQCTYLIASA-N -1 1 342.380 2.842 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000826383649 608884538 /nfs/dbraw/zinc/88/45/38/608884538.db2.gz KEKALQXNQLDQAR-RQOWECAXSA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826383649 608884541 /nfs/dbraw/zinc/88/45/41/608884541.db2.gz KEKALQXNQLDQAR-RQOWECAXSA-N -1 1 325.328 2.835 20 30 EFEDMM CCC1(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCOCC1 ZINC000825164942 609276053 /nfs/dbraw/zinc/27/60/53/609276053.db2.gz NIXGJPXGYDCVNU-UHFFFAOYSA-N -1 1 333.396 2.583 20 30 EFEDMM CC[C@@H]1C[C@@H](CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184385 609516951 /nfs/dbraw/zinc/51/69/51/609516951.db2.gz SVWQUSHKUZNWCA-WDEREUQCSA-N -1 1 333.396 2.581 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062315652 1260421836 /nfs/dbraw/zinc/42/18/36/1260421836.db2.gz BXVQOYOMKNIONS-LSDHHAIUSA-N -1 1 345.443 2.500 20 30 EFEDMM C#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000785453430 1261460453 /nfs/dbraw/zinc/46/04/53/1261460453.db2.gz KFYAYLRJDGOOBE-UHFFFAOYSA-N -1 1 347.367 2.725 20 30 EFEDMM C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001079052712 1262233935 /nfs/dbraw/zinc/23/39/35/1262233935.db2.gz RNYUAYKZDKEYML-HNNXBMFYSA-N -1 1 345.443 2.597 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000075081446 1262834091 /nfs/dbraw/zinc/83/40/91/1262834091.db2.gz QQFLTBQGXTZHPE-UHFFFAOYSA-N -1 1 329.377 2.564 20 30 EFEDMM N#CCCCN1CC[C@]2(CCCN2Cc2c(F)ccc(F)c2[O-])C1=O ZINC001273205956 1263257739 /nfs/dbraw/zinc/25/77/39/1263257739.db2.gz GKZHLMHZIHSWOI-GOSISDBHSA-N -1 1 349.381 2.541 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)s2)cc1 ZINC000729887779 1264100116 /nfs/dbraw/zinc/10/01/16/1264100116.db2.gz CIFBTUOFSTYVES-ZDUSSCGKSA-N -1 1 341.392 2.990 20 30 EFEDMM Cc1ccc2[nH]cc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)c2c1 ZINC000735613249 1267372612 /nfs/dbraw/zinc/37/26/12/1267372612.db2.gz XCKMJIOXKLZEGU-UHFFFAOYSA-N -1 1 338.392 2.549 20 30 EFEDMM CNc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc(Cl)n1 ZINC000735911946 1267454689 /nfs/dbraw/zinc/45/46/89/1267454689.db2.gz ZMWLHRDTRKOHSG-NSHDSACASA-N -1 1 344.806 2.585 20 30 EFEDMM C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429838 1270342595 /nfs/dbraw/zinc/34/25/95/1270342595.db2.gz VACNGPHUHHYCGO-CABCVRRESA-N -1 1 345.443 2.500 20 30 EFEDMM C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429841 1270343119 /nfs/dbraw/zinc/34/31/19/1270343119.db2.gz VACNGPHUHHYCGO-LSDHHAIUSA-N -1 1 345.443 2.500 20 30 EFEDMM COC(=O)COc1ccc(C(C)=NNc2ccccc2C(=O)[O-])cc1 ZINC000744999329 1271266527 /nfs/dbraw/zinc/26/65/27/1271266527.db2.gz NTBKKXYZJKRUDN-UHFFFAOYSA-N -1 1 342.351 2.773 20 30 EFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1C ZINC000746492460 1273970776 /nfs/dbraw/zinc/97/07/76/1273970776.db2.gz WMUUZOSFHYPJGK-UHFFFAOYSA-N -1 1 347.396 2.747 20 30 EFEDMM N#Cc1ccc(O)c(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000786466791 1275416617 /nfs/dbraw/zinc/41/66/17/1275416617.db2.gz XJDJKKBDTHIPKA-UHFFFAOYSA-N -1 1 338.298 2.547 20 30 EFEDMM CCc1cc2c(COC(=O)c3c[nH]c(C#N)c3)cc(=O)oc2cc1[O-] ZINC000786905425 1275573768 /nfs/dbraw/zinc/57/37/68/1275573768.db2.gz RAMIAYAKIWZSHA-UHFFFAOYSA-N -1 1 338.319 2.618 20 30 EFEDMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1cccc([N+](=O)[O-])c1 ZINC000787167912 1275700328 /nfs/dbraw/zinc/70/03/28/1275700328.db2.gz GZQOHPVULUSONS-OLWLVDRSSA-N -1 1 341.319 2.769 20 30 EFEDMM C[C@@H](Oc1cccc(CN=Nc2nc3ccccc3n2C)c1)C(=O)[O-] ZINC000746679639 1275773609 /nfs/dbraw/zinc/77/36/09/1275773609.db2.gz KBGCUUGMXBCERP-GFCCVEGCSA-N -1 1 338.367 2.871 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)cc1[O-] ZINC000787826123 1275930644 /nfs/dbraw/zinc/93/06/44/1275930644.db2.gz SITITAUBSNXDQW-HNNXBMFYSA-N -1 1 334.734 2.520 20 30 EFEDMM CCc1cccc(Cl)c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000788712389 1276273114 /nfs/dbraw/zinc/27/31/14/1276273114.db2.gz RZYPNJBHJBBOLW-UHFFFAOYSA-N -1 1 347.827 2.975 20 30 EFEDMM C[C@@](O)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1Cl ZINC000790074074 1277210594 /nfs/dbraw/zinc/21/05/94/1277210594.db2.gz ANNKLNHSKDVBRA-QGZVFWFLSA-N -1 1 330.771 2.555 20 30 EFEDMM [O-]c1c(Br)cccc1CN=Nc1nc2ccccn2n1 ZINC000790198503 1277343133 /nfs/dbraw/zinc/34/31/33/1277343133.db2.gz WGOSGSYSXYHGFB-UHFFFAOYSA-N -1 1 332.161 2.643 20 30 EFEDMM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2cncn2c1)c1ccccc1 ZINC000793278643 1279480190 /nfs/dbraw/zinc/48/01/90/1279480190.db2.gz DZIKEKBXNHPSQY-MSOLQXFVSA-N -1 1 346.390 2.924 20 30 EFEDMM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2cncn2c1)c1ccccc1 ZINC000793278665 1279481795 /nfs/dbraw/zinc/48/17/95/1279481795.db2.gz DZIKEKBXNHPSQY-ZWKOTPCHSA-N -1 1 346.390 2.924 20 30 EFEDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2C1 ZINC000793407425 1279599958 /nfs/dbraw/zinc/59/99/58/1279599958.db2.gz HFBBGFUOTDQYFB-HNNXBMFYSA-N -1 1 346.383 2.612 20 30 EFEDMM C=CCOC(=O)c1sc2[nH]c(-c3ccc([O-])cn3)nc(=O)c2c1C ZINC000793725251 1279822507 /nfs/dbraw/zinc/82/25/07/1279822507.db2.gz GDOOGPGMIKOYRZ-UHFFFAOYSA-N -1 1 343.364 2.816 20 30 EFEDMM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cc(F)c([O-])cc1F ZINC001144666526 1279971121 /nfs/dbraw/zinc/97/11/21/1279971121.db2.gz MFGLBQVTWKTRMF-MRXNPFEDSA-N -1 1 349.381 2.706 20 30 EFEDMM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cc(F)c([O-])cc1F ZINC001144666525 1279971660 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O=S1(=O)[N-]C(=NN=C2CC(c3ccccc3)C2)c2ccccc21 ZINC000814799085 1287028197 /nfs/dbraw/zinc/02/81/97/1287028197.db2.gz UGAMNUBXLYPGAU-UHFFFAOYSA-N -1 1 325.393 2.659 20 30 EFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)o1 ZINC000815909907 1287878680 /nfs/dbraw/zinc/87/86/80/1287878680.db2.gz KWXNIYYSWSWAPG-ZDUSSCGKSA-N -1 1 327.340 2.515 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1Cl ZINC000815910334 1287879271 /nfs/dbraw/zinc/87/92/71/1287879271.db2.gz VGPLVGBNGINGOK-LLVKDONJSA-N -1 1 347.758 2.915 20 30 EFEDMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])cc3)cc2C#N)CC1 ZINC001176712399 1288100728 /nfs/dbraw/zinc/10/07/28/1288100728.db2.gz WPHUBNAKCZOMHS-UHFFFAOYSA-N -1 1 336.395 2.752 20 30 EFEDMM CCOC(=O)c1c(C)[nH]cc1CCC(=O)Nc1ccc(C#N)cc1[O-] ZINC001177834769 1288564149 /nfs/dbraw/zinc/56/41/49/1288564149.db2.gz LFTRBWRJTKEPJH-UHFFFAOYSA-N -1 1 341.367 2.648 20 30 EFEDMM Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2[O-])CC1=O ZINC001180675046 1289604194 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C[C@]12CCN(C(=O)c3ccc(C#N)c([O-])c3)C[C@H]1C2(Cl)Cl ZINC000803550346 1312792284 /nfs/dbraw/zinc/79/22/84/1312792284.db2.gz PDAHLWKYPRZBAD-OCCSQVGLSA-N -1 1 325.195 2.920 20 30 EFEDMM C=CCOC(=O)N[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232975013 1312823572 /nfs/dbraw/zinc/82/35/72/1312823572.db2.gz VVZMDHAUCFLKDS-GFCCVEGCSA-N -1 1 326.343 2.547 20 30 EFEDMM Cc1oncc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1Cl ZINC001187383277 1291167879 /nfs/dbraw/zinc/16/78/79/1291167879.db2.gz OOZLEKXZGGALCP-UHFFFAOYSA-N -1 1 332.168 2.962 20 30 EFEDMM CCCCCCCCS(=O)(=O)[N-]c1cccnc1C(=O)OC ZINC001187993428 1291280844 /nfs/dbraw/zinc/28/08/44/1291280844.db2.gz VWIALPJQBUEBCA-UHFFFAOYSA-N -1 1 328.434 2.970 20 30 EFEDMM C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080233 1312851319 /nfs/dbraw/zinc/85/13/19/1312851319.db2.gz SUVNTQKNTCHBCP-GFCCVEGCSA-N -1 1 326.343 2.547 20 30 EFEDMM N#Cc1c([O-])csc1NC(=O)Nc1cc(F)cc2c1OCOC2 ZINC001188835136 1291470662 /nfs/dbraw/zinc/47/06/62/1291470662.db2.gz JPFBXDGKDUKSPZ-UHFFFAOYSA-N -1 1 335.316 2.975 20 30 EFEDMM COc1ccc(C#N)cc1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190269759 1292093507 /nfs/dbraw/zinc/09/35/07/1292093507.db2.gz HNUMXENJOGGVON-UHFFFAOYSA-N -1 1 346.346 2.982 20 30 EFEDMM CCc1cc2c(COC(=O)c3ccc(C#N)o3)cc(=O)oc2cc1[O-] ZINC000796151903 1292107024 /nfs/dbraw/zinc/10/70/24/1292107024.db2.gz CCHMPWQLWWCQKK-UHFFFAOYSA-N -1 1 339.303 2.883 20 30 EFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1F ZINC001190410517 1292166924 /nfs/dbraw/zinc/16/69/24/1292166924.db2.gz ABLXPIUJAFEMCD-UHFFFAOYSA-N -1 1 344.289 2.593 20 30 EFEDMM N#CCc1cc(NC(=O)c2cnc(-c3ccccn3)[n-]c2=O)ccc1F ZINC001190632745 1292256098 /nfs/dbraw/zinc/25/60/98/1292256098.db2.gz OPUDBLDSDXJRPH-UHFFFAOYSA-N -1 1 349.325 2.702 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c(Cl)cccc2CO)c1 ZINC001190647908 1292263021 /nfs/dbraw/zinc/26/30/21/1292263021.db2.gz MGYDCLCLCCCRMY-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC001190648187 1292263399 /nfs/dbraw/zinc/26/33/99/1292263399.db2.gz VHAMFGHRHNXAKS-UHFFFAOYSA-N -1 1 326.736 2.857 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)Nc2cccc([O-])c2Cl)c1 ZINC001190651041 1292264690 /nfs/dbraw/zinc/26/46/90/1292264690.db2.gz UTPBSPCDDAWBAT-UHFFFAOYSA-N -1 1 326.736 2.857 20 30 EFEDMM C=CCC1(S(=O)(=O)[N-]c2c(F)c(F)ccc2C(=O)OC)CC1 ZINC001190806774 1292324452 /nfs/dbraw/zinc/32/44/52/1292324452.db2.gz RMFZVDAOTOOAAW-UHFFFAOYSA-N -1 1 331.340 2.602 20 30 EFEDMM Cc1ccccc1C(=O)N1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233387801 1312921406 /nfs/dbraw/zinc/92/14/06/1312921406.db2.gz ZBWHDGXBBNTUNC-UHFFFAOYSA-N -1 1 335.407 2.530 20 30 EFEDMM COC(=O)[C@H]1C[C@H]1c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001192199851 1292815708 /nfs/dbraw/zinc/81/57/08/1292815708.db2.gz NGDGIBXHEKIPLW-GJZGRUSLSA-N -1 1 336.347 2.793 20 30 EFEDMM N#Cc1cc2cccnc2nc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192651434 1292956701 /nfs/dbraw/zinc/95/67/01/1292956701.db2.gz IOPOVWHNGPZIJP-UHFFFAOYSA-N -1 1 326.262 2.738 20 30 EFEDMM Cc1ccc(NC(=O)OC(C)(C)C)cc1[N-]S(=O)(=O)CC#N ZINC001192982769 1293115720 /nfs/dbraw/zinc/11/57/20/1293115720.db2.gz XCPFUCQRPREJBT-UHFFFAOYSA-N -1 1 325.390 2.607 20 30 EFEDMM Cc1cnc(C(=O)N([O-])C(=N)c2ccccc2N)c(Br)c1 ZINC001193220504 1293200364 /nfs/dbraw/zinc/20/03/64/1293200364.db2.gz YXWVYIRJNFMLKV-UHFFFAOYSA-N -1 1 349.188 2.592 20 30 EFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1F ZINC001193437250 1293291817 /nfs/dbraw/zinc/29/18/17/1293291817.db2.gz WIQSRKMACLOLJJ-UHFFFAOYSA-N -1 1 347.367 2.703 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2Cc3ccccc3N3CCC[C@@H]3C2)c1 ZINC000882811831 1293332968 /nfs/dbraw/zinc/33/29/68/1293332968.db2.gz FSSWKGCDODZQOW-QGZVFWFLSA-N -1 1 333.391 2.889 20 30 EFEDMM N=C(c1ccccc1N)N(O)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193747242 1293433433 /nfs/dbraw/zinc/43/34/33/1293433433.db2.gz ILKIVAJQSSSPIO-UHFFFAOYSA-N -1 1 339.273 2.850 20 30 EFEDMM N#Cc1cc(F)c([N-]S(=O)(=O)Cc2noc3ccccc23)c(F)c1 ZINC001194095214 1293529963 /nfs/dbraw/zinc/52/99/63/1293529963.db2.gz UDEAJPICDNNRLV-UHFFFAOYSA-N -1 1 349.318 2.920 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2Cc2c(F)cc([O-])cc2F)C1=O ZINC001273671825 1293543948 /nfs/dbraw/zinc/54/39/48/1293543948.db2.gz SOMOVIITUGYPJL-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM N#CCCCN1CC[C@@]2(CCCN2Cc2c(F)cc([O-])cc2F)C1=O ZINC001273671809 1293544875 /nfs/dbraw/zinc/54/48/75/1293544875.db2.gz RUALOFDZGDKJMN-SFHVURJKSA-N -1 1 349.381 2.541 20 30 EFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195505928 1293946649 /nfs/dbraw/zinc/94/66/49/1293946649.db2.gz XZDJRHMVTYPPFI-GFCCVEGCSA-N -1 1 334.210 2.668 20 30 EFEDMM COc1ccccc1-n1cnc(C(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001195816138 1294030782 /nfs/dbraw/zinc/03/07/82/1294030782.db2.gz CWEANRFWUPQZEZ-UHFFFAOYSA-N -1 1 334.335 2.710 20 30 EFEDMM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)nn1Cc1ccccc1 ZINC001195885141 1294070820 /nfs/dbraw/zinc/07/08/20/1294070820.db2.gz ODTDQXXFKODMDY-UHFFFAOYSA-N -1 1 349.394 2.679 20 30 EFEDMM C=CCOc1ccccc1[C@@H](C)NC(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196023051 1294108413 /nfs/dbraw/zinc/10/84/13/1294108413.db2.gz CQKKRVKLETYVKF-SNVBAGLBSA-N -1 1 331.397 2.527 20 30 EFEDMM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196187510 1294150119 /nfs/dbraw/zinc/15/01/19/1294150119.db2.gz DWVQFGOLIFANPE-UHFFFAOYSA-N -1 1 345.193 2.820 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)n3c(N)c(F)ccc3=N)c2)c1 ZINC001196309038 1294185839 /nfs/dbraw/zinc/18/58/39/1294185839.db2.gz JOEYMJMWSWKCQY-UHFFFAOYSA-N -1 1 348.337 2.622 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCCc3cc[nH]n3)c2)c1 ZINC001196319972 1294196688 /nfs/dbraw/zinc/19/66/88/1294196688.db2.gz HKSSFRRRSHOXQH-UHFFFAOYSA-N -1 1 332.363 2.626 20 30 EFEDMM Cc1ncc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)cn1 ZINC001196320408 1294196765 /nfs/dbraw/zinc/19/67/65/1294196765.db2.gz LSCCCRRJXDXQDZ-UHFFFAOYSA-N -1 1 344.374 2.959 20 30 EFEDMM Cc1nnc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)o1 ZINC001196329845 1294198625 /nfs/dbraw/zinc/19/86/25/1294198625.db2.gz HYFUQRIXTNARRW-UHFFFAOYSA-N -1 1 334.335 2.552 20 30 EFEDMM COC(=O)c1ccc([O-])cc1NC(=S)Nc1ccccc1C#N ZINC001196331079 1294198699 /nfs/dbraw/zinc/19/86/99/1294198699.db2.gz DMRHXJCJUURCPC-UHFFFAOYSA-N -1 1 327.365 2.859 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(CO)ccc1F ZINC001196679744 1294314504 /nfs/dbraw/zinc/31/45/04/1294314504.db2.gz IWSKUBLRZAUKHF-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC001196647580 1294318188 /nfs/dbraw/zinc/31/81/88/1294318188.db2.gz ISWRMQRGNKUXFL-UHFFFAOYSA-N -1 1 332.772 2.660 20 30 EFEDMM C[C@H](C#N)c1ccc(NC(=O)c2sccc2[N-]S(C)(=O)=O)cc1 ZINC001196731084 1294352512 /nfs/dbraw/zinc/35/25/12/1294352512.db2.gz DXBOXMHMAAGFCI-SNVBAGLBSA-N -1 1 349.437 2.999 20 30 EFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ncn(Cc2ccccc2)n1 ZINC001197184549 1294465816 /nfs/dbraw/zinc/46/58/16/1294465816.db2.gz HMSIZDAHGOIVJP-UHFFFAOYSA-N -1 1 339.305 2.729 20 30 EFEDMM COc1cnc(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)c(F)c1 ZINC001197802888 1294723064 /nfs/dbraw/zinc/72/30/64/1294723064.db2.gz JGIDQMZUGLWGCY-UHFFFAOYSA-N -1 1 349.325 2.810 20 30 EFEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1C#N ZINC001198156211 1294915017 /nfs/dbraw/zinc/91/50/17/1294915017.db2.gz XXKYHMMIXJRTET-UHFFFAOYSA-N -1 1 338.392 2.919 20 30 EFEDMM Cc1nn(Cc2cccnc2)c(C)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001198421409 1295040123 /nfs/dbraw/zinc/04/01/23/1295040123.db2.gz ADYHNVVHZFEXFE-UHFFFAOYSA-N -1 1 347.378 2.773 20 30 EFEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ncccc1OC(C)C ZINC001199238996 1295460010 /nfs/dbraw/zinc/46/00/10/1295460010.db2.gz KLMDXQOFUJAUOQ-UHFFFAOYSA-N -1 1 345.380 2.841 20 30 EFEDMM C#C[C@@H](Oc1c(C(=O)OC)nc(-c2ccccc2)[n-]c1=O)C(C)C ZINC001234553748 1313155609 /nfs/dbraw/zinc/15/56/09/1313155609.db2.gz FPYLSCPICLUCFM-CYBMUJFWSA-N -1 1 326.352 2.672 20 30 EFEDMM COC(=O)c1nc(-c2ccccc2)[n-]c(=O)c1O[C@@H]1CC[C@@H](C#N)C1 ZINC001234556856 1313156926 /nfs/dbraw/zinc/15/69/26/1313156926.db2.gz GXQQMCOOFQNYNT-DGCLKSJQSA-N -1 1 339.351 2.707 20 30 EFEDMM C=C[C@@]1(C)CC[C@H](Oc2c(C(N)=O)nc(C(C)C)[n-]c2=O)C(C)(C)O1 ZINC001234564231 1313159309 /nfs/dbraw/zinc/15/93/09/1313159309.db2.gz BCYVRANWPYEEIZ-VOJFVSQTSA-N -1 1 349.431 2.686 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cc(OCC2CCC2)ccn1 ZINC001199536994 1295572552 /nfs/dbraw/zinc/57/25/52/1295572552.db2.gz SKCJQMRMZHRJNJ-UHFFFAOYSA-N -1 1 340.383 2.700 20 30 EFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ccnc(OC2CCC2)n1 ZINC001199655324 1295654456 /nfs/dbraw/zinc/65/44/56/1295654456.db2.gz OVERAFDJCDDRMT-UHFFFAOYSA-N -1 1 330.294 2.810 20 30 EFEDMM C[C@H](O)CNc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1F ZINC001251966579 1295825067 /nfs/dbraw/zinc/82/50/67/1295825067.db2.gz NSWLFQDRBKWVLW-LURJTMIESA-N -1 1 335.219 2.931 20 30 EFEDMM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1ccccc1C=N[O-] ZINC001234823036 1313194700 /nfs/dbraw/zinc/19/47/00/1313194700.db2.gz QNRSXBAYTMKLNW-SOUVJXGZSA-N -1 1 325.405 2.719 20 30 EFEDMM C#C[C@@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)cc1O)O2 ZINC001234751951 1313189017 /nfs/dbraw/zinc/18/90/17/1313189017.db2.gz RRDRWGXXJZGQFS-HWPZZCPQSA-N -1 1 340.331 2.910 20 30 EFEDMM CC(C)(C)OC(=O)N1CC[C@H](Oc2ccccc2C=N[O-])CC1=O ZINC001234823154 1313194441 /nfs/dbraw/zinc/19/44/41/1313194441.db2.gz RHNJJJNXDDAUFC-ZDUSSCGKSA-N -1 1 334.372 2.800 20 30 EFEDMM Cc1nc2ccc(F)cn2c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201294983 1296709232 /nfs/dbraw/zinc/70/92/32/1296709232.db2.gz HLPFPXLVRYNHAP-UHFFFAOYSA-N -1 1 344.371 2.763 20 30 EFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201317517 1296723324 /nfs/dbraw/zinc/72/33/24/1296723324.db2.gz UKLIPVAGZFTOBL-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H](C#N)c1ccccc1 ZINC001201728900 1297029311 /nfs/dbraw/zinc/02/93/11/1297029311.db2.gz PMNGUJWMKUVCAO-JTQLQIEISA-N -1 1 327.818 2.648 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ccc(C#N)s1 ZINC001201764450 1297062896 /nfs/dbraw/zinc/06/28/96/1297062896.db2.gz NWYULPPNJHEHPV-UHFFFAOYSA-N -1 1 333.847 2.517 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000108250670 1298494264 /nfs/dbraw/zinc/49/42/64/1298494264.db2.gz MIIGOESKLOEPIG-UHFFFAOYSA-N -1 1 329.377 2.702 20 30 EFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000108624823 1298758684 /nfs/dbraw/zinc/75/86/84/1298758684.db2.gz YOYBRLASDQWGLS-LLVKDONJSA-N -1 1 338.348 2.759 20 30 EFEDMM Cc1ccc(-c2csc(Cn3ccc(C=N[O-])nc3=O)n2)cc1 ZINC000795209150 1300272871 /nfs/dbraw/zinc/27/28/71/1300272871.db2.gz LTQWHQLTFNJACH-UHFFFAOYSA-N -1 1 326.381 2.532 20 30 EFEDMM N#Cc1cc(Cl)cc(CN2CCC([N-]C(=O)C(F)(F)F)CC2)c1 ZINC001237752455 1313701206 /nfs/dbraw/zinc/70/12/06/1313701206.db2.gz WBZIHJPVEVNITD-UHFFFAOYSA-N -1 1 345.752 2.855 20 30 EFEDMM C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000963292613 1300536046 /nfs/dbraw/zinc/53/60/46/1300536046.db2.gz HGIMLXBLZAOQLG-GJZGRUSLSA-N -1 1 349.862 2.856 20 30 EFEDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F ZINC000795381843 1300876128 /nfs/dbraw/zinc/87/61/28/1300876128.db2.gz RCDRDXVTFUNINE-LLVKDONJSA-N -1 1 334.372 2.746 20 30 EFEDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1F ZINC000795382802 1300876677 /nfs/dbraw/zinc/87/66/77/1300876677.db2.gz WVHJAFIFVHMSQR-NSHDSACASA-N -1 1 334.372 2.746 20 30 EFEDMM N#CCc1ccccc1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000777166899 1302009255 /nfs/dbraw/zinc/00/92/55/1302009255.db2.gz HERCLAJGTSLJPR-UHFFFAOYSA-N -1 1 349.342 2.851 20 30 EFEDMM Cc1cccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000748255526 1313834366 /nfs/dbraw/zinc/83/43/66/1313834366.db2.gz XUXJFRNBXGVGCK-UHFFFAOYSA-N -1 1 333.369 2.524 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Cl)cc1 ZINC000748253436 1313833257 /nfs/dbraw/zinc/83/32/57/1313833257.db2.gz NYYDBTSRNLIEJR-UHFFFAOYSA-N -1 1 339.760 2.561 20 30 EFEDMM Cc1cnn(C)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000794886573 1303477026 /nfs/dbraw/zinc/47/70/26/1303477026.db2.gz AXONXAAWLYSUMW-UHFFFAOYSA-N -1 1 344.469 2.783 20 30 EFEDMM CCOC(=O)c1scnc1/C=C/C(=O)c1cc(OC)ccc1[O-] ZINC000794941009 1303743976 /nfs/dbraw/zinc/74/39/76/1303743976.db2.gz IBTQKBUMTVHIJI-FNORWQNLSA-N -1 1 333.365 2.930 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736109 1304942892 /nfs/dbraw/zinc/94/28/92/1304942892.db2.gz BFADSRLLDHPKEQ-LBPRGKRZSA-N -1 1 337.803 2.720 20 30 EFEDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C#N)cc2OC)c1 ZINC001209328168 1314140278 /nfs/dbraw/zinc/14/02/78/1314140278.db2.gz FUUWBKVBMMLQOC-UHFFFAOYSA-N -1 1 332.381 2.810 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1cc(C(F)(F)F)c(C)cc1C(=O)OC ZINC001259921217 1316297952 /nfs/dbraw/zinc/29/79/52/1316297952.db2.gz DXQZYFNAXVQXHK-UHFFFAOYSA-N -1 1 337.319 2.728 20 30 EFEDMM CCOC(=O)Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1NC(C)=O ZINC001242566196 1314215986 /nfs/dbraw/zinc/21/59/86/1314215986.db2.gz MNQPIAYJAUVIED-UHFFFAOYSA-N -1 1 338.363 2.995 20 30 EFEDMM CCOC(=O)Cc1cnc(SC)nc1-c1ccc([O-])c(C#N)c1 ZINC001242561703 1314216103 /nfs/dbraw/zinc/21/61/03/1314216103.db2.gz AZOAZVQORVNPLW-UHFFFAOYSA-N -1 1 329.381 2.548 20 30 EFEDMM N#Cc1cc(-c2ccc(S(=O)(=O)NC3CCCC3)cn2)ccc1[O-] ZINC001242563095 1314216209 /nfs/dbraw/zinc/21/62/09/1314216209.db2.gz OYHWQLFIWLAFLB-UHFFFAOYSA-N -1 1 343.408 2.547 20 30 EFEDMM CSc1ncc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c(=O)[n-]1 ZINC001413140836 1308142528 /nfs/dbraw/zinc/14/25/28/1308142528.db2.gz GCEZOGQXFLNXNG-AWEZNQCLSA-N -1 1 340.408 2.583 20 30 EFEDMM COCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCCC1 ZINC000780226410 1314230364 /nfs/dbraw/zinc/23/03/64/1314230364.db2.gz BXJKQHVLXSSTJV-UHFFFAOYSA-N -1 1 346.435 2.891 20 30 EFEDMM CSC1(C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CCC1 ZINC000800812703 1308467675 /nfs/dbraw/zinc/46/76/75/1308467675.db2.gz KRAKPLYUOSKJRI-UHFFFAOYSA-N -1 1 334.449 2.970 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900904032 1308889386 /nfs/dbraw/zinc/88/93/86/1308889386.db2.gz GOQRIVHWUYQBTC-RDJZCZTQSA-N -1 1 348.406 2.972 20 30 EFEDMM 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VLLMYXJXMLUYSC-NSHDSACASA-N -1 1 335.734 2.687 20 30 EFEDMM CC1(C)OC[C@H](CO/C(=N\[O-])c2ccccc2Br)O1 ZINC001223884150 1311315034 /nfs/dbraw/zinc/31/50/34/1311315034.db2.gz CGZRHYVTWAFDHF-YHMWOKNVSA-N -1 1 330.178 2.753 20 30 EFEDMM C=CCN(C)Cc1cc(C)cc(Br)c1OCC(=O)[O-] ZINC000902097561 1311420923 /nfs/dbraw/zinc/42/09/23/1311420923.db2.gz XYELWJJTXGOJMO-UHFFFAOYSA-N -1 1 328.206 2.839 20 30 EFEDMM CC[C@H](C#CC(=O)OC)Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225808993 1311577827 /nfs/dbraw/zinc/57/78/27/1311577827.db2.gz WLKIDQSNLQEQBP-QGZVFWFLSA-N -1 1 338.359 2.957 20 30 EFEDMM N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001226008593 1311600646 /nfs/dbraw/zinc/60/06/46/1311600646.db2.gz JYZAKDHRXBDCIP-CQSZACIVSA-N -1 1 345.349 2.980 20 30 EFEDMM CC[C@H](Oc1nccc(/C=N/[O-])n1)c1cc(OC)c(OC)c(OC)c1 ZINC001226258313 1311638473 /nfs/dbraw/zinc/63/84/73/1311638473.db2.gz UABSRLPZZPVDCC-UZPSYVQNSA-N -1 1 347.371 2.841 20 30 EFEDMM C=CCC[C@@H](CC)Oc1[n-]c(=O)ncc1I ZINC001226774628 1311721262 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ACMHMTZRKPOENM-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)c1 ZINC001260811546 1316370648 /nfs/dbraw/zinc/37/06/48/1316370648.db2.gz XLOSCFMBMMRMHY-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)c1 ZINC001260845508 1316373677 /nfs/dbraw/zinc/37/36/77/1316373677.db2.gz WPBPDZOVFIQZOG-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc([S@](C)=O)cc1 ZINC001320212878 1329104266 /nfs/dbraw/zinc/10/42/66/1329104266.db2.gz UAHPZZHVTLLHJR-QHCPKHFHSA-N -1 1 332.381 2.577 20 30 EFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC001320522054 1329151630 /nfs/dbraw/zinc/15/16/30/1329151630.db2.gz XVNWMBCGSGAHJF-BMIGLBTASA-N -1 1 344.383 2.724 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)[nH]n2)o1 ZINC001321016188 1329332244 /nfs/dbraw/zinc/33/22/44/1329332244.db2.gz RDEYZIIDYUZYJF-UHFFFAOYSA-N -1 1 342.380 2.845 20 30 EFEDMM COC(=O)c1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC001322546136 1329466615 /nfs/dbraw/zinc/46/66/15/1329466615.db2.gz AISRHECBFSRCDU-ALCCZGGFSA-N -1 1 326.304 2.773 20 30 EFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1csc2ccccc12 ZINC001325586411 1329699009 /nfs/dbraw/zinc/69/90/09/1329699009.db2.gz UYTLPVMAFSOKSV-UHFFFAOYSA-N -1 1 342.401 2.780 20 30 EFEDMM CC(C)NC(=S)NN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC001332318239 1330956640 /nfs/dbraw/zinc/95/66/40/1330956640.db2.gz KVYYIGGZHIRFAW-UHFFFAOYSA-N -1 1 343.478 2.697 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)C[C@@H](C)CC ZINC001339497390 1331881648 /nfs/dbraw/zinc/88/16/48/1331881648.db2.gz LUQVSWVUOYGIMY-LBPRGKRZSA-N -1 1 342.447 2.986 20 30 EFEDMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@](C)(C#N)C1 ZINC001339505958 1331883866 /nfs/dbraw/zinc/88/38/66/1331883866.db2.gz MEWLUVGFKHUNEC-INIZCTEOSA-N -1 1 346.822 2.849 20 30 EFEDMM COc1ncccc1C([O-])=C(C#N)c1nccn1Cc1ccccc1 ZINC001344535171 1332462104 /nfs/dbraw/zinc/46/21/04/1332462104.db2.gz XNGZVIKIOJMBFK-INIZCTEOSA-N -1 1 332.363 2.825 20 30 EFEDMM Cn1ccnc1C(C#N)=C([O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC001356578009 1335055877 /nfs/dbraw/zinc/05/58/77/1335055877.db2.gz KAFUUAZZVMCXHL-CYBMUJFWSA-N -1 1 349.369 2.724 20 30 EFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@@H](C)C1 ZINC001356598443 1335060370 /nfs/dbraw/zinc/06/03/70/1335060370.db2.gz ADUKLAKSWUVXTE-NSHDSACASA-N -1 1 349.822 2.500 20 30 EFEDMM Cc1cnc(SCC(=O)Nc2cc(Cl)ccc2C#N)[n-]c1=O ZINC001413932152 1335863011 /nfs/dbraw/zinc/86/30/11/1335863011.db2.gz LHYZQLVBAJIJKD-UHFFFAOYSA-N -1 1 334.788 2.747 20 30 EFEDMM CSc1ncc(C(=O)N(CCC#N)c2ccc(F)cc2)c(=O)[n-]1 ZINC001362238584 1336568060 /nfs/dbraw/zinc/56/80/60/1336568060.db2.gz JCFBIBYICVLEIA-UHFFFAOYSA-N -1 1 332.360 2.604 20 30 EFEDMM CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC001363548394 1336925851 /nfs/dbraw/zinc/92/58/51/1336925851.db2.gz SSZFQBYZXVLCSX-UHFFFAOYSA-N -1 1 347.415 2.687 20 30 EFEDMM CCOC(=O)c1ncc(C(=O)[N-]c2cc(C#N)c(F)cc2F)s1 ZINC001417574302 1373051034 /nfs/dbraw/zinc/05/10/34/1373051034.db2.gz RXMXNQSTHQFWKN-UHFFFAOYSA-N -1 1 337.307 2.722 20 30 EFEDMM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001417889374 1373376636 /nfs/dbraw/zinc/37/66/36/1373376636.db2.gz QRWLQSWXKHXWSG-LBPRGKRZSA-N -1 1 327.290 2.863 20 30 EFEDMM COc1cc(F)cc(C[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC001417955874 1373450132 /nfs/dbraw/zinc/45/01/32/1373450132.db2.gz INSXSUIIJNIVJE-NSHDSACASA-N -1 1 328.343 2.773 20 30 EFEDMM COc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1C#N ZINC001454985552 1394497376 /nfs/dbraw/zinc/49/73/76/1394497376.db2.gz GZUVKYXLDFFLMS-UHFFFAOYSA-N -1 1 346.346 2.773 20 30 EFEDMM CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cn1 ZINC000820187500 1426051941 /nfs/dbraw/zinc/05/19/41/1426051941.db2.gz DPPFWAFBQBEDTQ-UHFFFAOYSA-N -1 1 333.355 2.509 20 30 EFEDMM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450862 1426629175 /nfs/dbraw/zinc/62/91/75/1426629175.db2.gz HBELXNQBPHTLNU-UHFFFAOYSA-N -1 1 329.367 2.673 20 30 EFEDMM CCC(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000820838283 1428234078 /nfs/dbraw/zinc/23/40/78/1428234078.db2.gz RKZRQWPIJGHPBU-UHFFFAOYSA-N -1 1 346.350 2.583 20 30 EFEDMM C(=NNCc1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000819718413 1428249013 /nfs/dbraw/zinc/24/90/13/1428249013.db2.gz GAQQYTDYJYNKHE-UHFFFAOYSA-N -1 1 335.396 2.600 20 30 EFEDMM Fc1cc2c(c(F)c1)CCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826372890 1428250506 /nfs/dbraw/zinc/25/05/06/1428250506.db2.gz PWNIDQWIJUEPML-UHFFFAOYSA-N -1 1 340.337 2.585 20 30 EFEDMM N#Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737717139 1428760104 /nfs/dbraw/zinc/76/01/04/1428760104.db2.gz ZQTRXLXHCAWPBS-UHFFFAOYSA-N -1 1 338.758 2.573 20 30 EFEDMM CC(C)CSCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000824274988 1428836096 /nfs/dbraw/zinc/83/60/96/1428836096.db2.gz PEQNCHYHWBTNFF-UHFFFAOYSA-N -1 1 349.489 2.587 20 30 EFEDMM Cc1cn(Cc2ccc(-c3nnn[n-]3)cc2Br)cc1C#N ZINC000826317232 1428842263 /nfs/dbraw/zinc/84/22/63/1428842263.db2.gz UEEJCZHXCCUVLB-UHFFFAOYSA-N -1 1 343.188 2.659 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822016273 1428852922 /nfs/dbraw/zinc/85/29/22/1428852922.db2.gz WRQCCAMCYLMGRK-JXMROGBWSA-N -1 1 335.323 2.979 20 30 EFEDMM CCCCCCCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825271387 1428888269 /nfs/dbraw/zinc/88/82/69/1428888269.db2.gz IOAKDSBQVLIRNT-UHFFFAOYSA-N -1 1 330.388 2.953 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(F)c1 ZINC000735551742 1428912197 /nfs/dbraw/zinc/91/21/97/1428912197.db2.gz SXCWSMXPGIGPTO-JTQLQIEISA-N -1 1 336.330 2.620 20 30 EFEDMM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821589569 1428938969 /nfs/dbraw/zinc/93/89/69/1428938969.db2.gz UCJVCIYGQDDPNC-JXMROGBWSA-N -1 1 337.358 2.968 20 30 EFEDMM C=CCOc1ccccc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000735436570 1429163628 /nfs/dbraw/zinc/16/36/28/1429163628.db2.gz NPTNIFWPQVUGQC-UHFFFAOYSA-N -1 1 339.374 2.860 20 30 EFEDMM FC(F)(F)c1cc(N=NCC[C@@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC000826368676 1429238544 /nfs/dbraw/zinc/23/85/44/1429238544.db2.gz YMUNTXVUVINRJP-SECBINFHSA-N -1 1 340.309 2.710 20 30 EFEDMM C#CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823837982 1429240464 /nfs/dbraw/zinc/24/04/64/1429240464.db2.gz JZPMEFWSVULHOW-HWOXTHGCSA-N -1 1 343.390 2.761 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737373267 1429293726 /nfs/dbraw/zinc/29/37/26/1429293726.db2.gz RUKBEQKTSRXHKT-VURMDHGXSA-N -1 1 335.323 2.979 20 30 EFEDMM Oc1ccc(Cl)cc1C=NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823732989 1429452385 /nfs/dbraw/zinc/45/23/85/1429452385.db2.gz RDKQRTLRVUHVHI-LSCVHKIXSA-N -1 1 331.738 2.984 20 30 EFEDMM Cc1[nH]c2ccccc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822010103 1429456992 /nfs/dbraw/zinc/45/69/92/1429456992.db2.gz NMSHQKBVTRCPCJ-UHFFFAOYSA-N -1 1 331.383 2.780 20 30 EFEDMM CCCn1cccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825363397 1429614952 /nfs/dbraw/zinc/61/49/52/1429614952.db2.gz ZYTUJHMLQXPARE-UHFFFAOYSA-N -1 1 330.783 2.573 20 30 EFEDMM Cc1cc(C#N)ccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826256999 1423312335 /nfs/dbraw/zinc/31/23/35/1423312335.db2.gz JQJHIVJXYXQIRT-CMDGGOBGSA-N -1 1 345.362 2.803 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000821566502 1429633632 /nfs/dbraw/zinc/63/36/32/1429633632.db2.gz HJWROXHRWCFEQP-AATRIKPKSA-N -1 1 328.401 2.658 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000822823449 1423506611 /nfs/dbraw/zinc/50/66/11/1423506611.db2.gz QTUXAKSYYCANGK-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM CCc1nnc(N[C@@H](C)c2ccc(C#N)cc2)c(-c2nnn[n-]2)c1CC ZINC000821529610 1429643728 /nfs/dbraw/zinc/64/37/28/1429643728.db2.gz XVMZZEJNQKDWTA-NSHDSACASA-N -1 1 348.414 2.826 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400561 1423843303 /nfs/dbraw/zinc/84/33/03/1423843303.db2.gz BIHYUFYMQQSCLJ-VURMDHGXSA-N -1 1 339.286 2.810 20 30 EFEDMM C=CCCCCCN(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819739843 1423860205 /nfs/dbraw/zinc/86/02/05/1423860205.db2.gz JEZWAFMTBXYLIF-UHFFFAOYSA-N -1 1 335.358 2.963 20 30 EFEDMM N#Cc1cc(NC(=O)C=Cc2ccccc2F)ccc1-c1nnn[n-]1 ZINC000737705159 1423871809 /nfs/dbraw/zinc/87/18/09/1423871809.db2.gz NFOBCEPNUWTHIZ-YVMONPNESA-N -1 1 334.314 2.529 20 30 EFEDMM C=C1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735402583 1429716942 /nfs/dbraw/zinc/71/69/42/1429716942.db2.gz YCHPIQJGCZHVOW-UHFFFAOYSA-N -1 1 341.415 2.594 20 30 EFEDMM C#CCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCCCC1 ZINC000891472530 1424331286 /nfs/dbraw/zinc/33/12/86/1424331286.db2.gz DJXBFVXIXXLLRO-UHFFFAOYSA-N -1 1 327.363 2.918 20 30 EFEDMM CCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C12CCC2 ZINC000736612586 1424511776 /nfs/dbraw/zinc/51/17/76/1424511776.db2.gz AGNJVCAKNSIWHV-NSHDSACASA-N -1 1 345.407 2.725 20 30 EFEDMM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826166949 1424552367 /nfs/dbraw/zinc/55/23/67/1424552367.db2.gz IXYKTTSMBPUNBU-SOFGYWHQSA-N -1 1 340.314 2.616 20 30 EFEDMM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCC2(CCOCC2)CC1 ZINC000823742714 1424933067 /nfs/dbraw/zinc/93/30/67/1424933067.db2.gz KXFXQOXSWDJJQY-UHFFFAOYSA-N -1 1 340.431 2.683 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000826187505 1424958712 /nfs/dbraw/zinc/95/87/12/1424958712.db2.gz SXXIGBQMMQFFBL-YFHOEESVSA-N -1 1 336.351 2.780 20 30 EFEDMM CCCCCCCC[C@H](C)CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000775538762 1425117004 /nfs/dbraw/zinc/11/70/04/1425117004.db2.gz MPAHUIADMPTMGJ-LSDHHAIUSA-N -1 1 337.468 2.876 20 30 EFEDMM N#CCC1CCN(c2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000826380869 1425290814 /nfs/dbraw/zinc/29/08/14/1425290814.db2.gz OVGDRNJZCXODDS-UHFFFAOYSA-N -1 1 347.220 2.759 20 30 EFEDMM CCn1nc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1C ZINC000821566529 1425518259 /nfs/dbraw/zinc/51/82/59/1425518259.db2.gz ILBIAGHRKSCCIN-UVTDQMKNSA-N -1 1 348.410 2.912 20 30 EFEDMM C=C(C)CN(C)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000823872932 1425667993 /nfs/dbraw/zinc/66/79/93/1425667993.db2.gz FRACARDEBHAZCU-UHFFFAOYSA-N -1 1 326.187 2.822 20 30 EFEDMM C[C@@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000824034649 1425698684 /nfs/dbraw/zinc/69/86/84/1425698684.db2.gz MOWFAIFRRRDQLE-VIFPVBQESA-N -1 1 327.779 2.664 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819729776 1425709139 /nfs/dbraw/zinc/70/91/39/1425709139.db2.gz MPAKVUREBVXAIW-CYBMUJFWSA-N -1 1 349.394 2.750 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1 ZINC000826179094 1425729051 /nfs/dbraw/zinc/72/90/51/1425729051.db2.gz ZDOKUKXKVUWGQI-ARJAWSKDSA-N -1 1 342.380 2.842 20 30 EFEDMM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735446618 1425745033 /nfs/dbraw/zinc/74/50/33/1425745033.db2.gz BXYDOLMNIVZYKE-XFXZXTDPSA-N -1 1 330.351 2.780 20 30 EFEDMM C=CCC(CC=C)C(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734348 1425944404 /nfs/dbraw/zinc/94/44/04/1425944404.db2.gz MOOMBUNJOAYPOA-UHFFFAOYSA-N -1 1 341.415 2.615 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cccc3cnccc32)cc1-c1nn[n-]n1 ZINC000822829713 1425962524 /nfs/dbraw/zinc/96/25/24/1425962524.db2.gz FQENVBLWTGKAOH-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM C#Cc1cccc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000819709867 1425987729 /nfs/dbraw/zinc/98/77/29/1425987729.db2.gz RYNUUPUEALMFFB-UHFFFAOYSA-N -1 1 343.350 2.510 20 30 EFEDMM C#CCCCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000819692743 1426108970 /nfs/dbraw/zinc/10/89/70/1426108970.db2.gz JGKLUGIKFWROJI-UHFFFAOYSA-N -1 1 344.781 2.845 20 30 EFEDMM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1O ZINC000821786968 1426167420 /nfs/dbraw/zinc/16/74/20/1426167420.db2.gz MMNDBGCYPCITHL-JYRVWZFOSA-N -1 1 348.362 2.793 20 30 EFEDMM COCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826165524 1426194298 /nfs/dbraw/zinc/19/42/98/1426194298.db2.gz YUUAFXGZGVXXHC-PLNGDYQASA-N -1 1 345.359 2.505 20 30 EFEDMM Fc1ccc(F)c2c1CCC2=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826375275 1426206757 /nfs/dbraw/zinc/20/67/57/1426206757.db2.gz GXMRDJQKWDXIIM-UHFFFAOYSA-N -1 1 326.310 2.907 20 30 EFEDMM Cc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822340946 1426293295 /nfs/dbraw/zinc/29/32/95/1426293295.db2.gz OEVZVXLDLJMUBA-QPEQYQDCSA-N -1 1 336.326 2.973 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc(C2CCC2)s1 ZINC000819718626 1426326614 /nfs/dbraw/zinc/32/66/14/1426326614.db2.gz LOIOMOGSOQXPKA-UHFFFAOYSA-N -1 1 339.428 2.714 20 30 EFEDMM N#Cc1cc(Cl)ccc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826383847 1426345035 /nfs/dbraw/zinc/34/50/35/1426345035.db2.gz UDVNJUZJJVIKMV-UHFFFAOYSA-N -1 1 345.771 2.810 20 30 EFEDMM CCC1(CC)C(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1OC ZINC000820958181 1426460346 /nfs/dbraw/zinc/46/03/46/1426460346.db2.gz SLRZUGNLGNYWQN-HNNXBMFYSA-N -1 1 328.420 2.537 20 30 EFEDMM CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)C[C@@H](C)C#N ZINC000825428432 1426531783 /nfs/dbraw/zinc/53/17/83/1426531783.db2.gz MSOVNDITPJQQSK-JTQLQIEISA-N -1 1 349.236 2.611 20 30 EFEDMM C#CCOc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735380098 1426569384 /nfs/dbraw/zinc/56/93/84/1426569384.db2.gz CFVYIAUEHHERBW-KPKJPENVSA-N -1 1 345.362 2.531 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc2ccsc2c1 ZINC000819772767 1426576055 /nfs/dbraw/zinc/57/60/55/1426576055.db2.gz LLZOGIFRRWUIEI-UHFFFAOYSA-N -1 1 349.423 2.990 20 30 EFEDMM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000820456296 1426577435 /nfs/dbraw/zinc/57/74/35/1426577435.db2.gz RPQBMXGJYRXJGR-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000737082564 1426705173 /nfs/dbraw/zinc/70/51/73/1426705173.db2.gz XJNIKLXPCGAKIP-WAPJZHGLSA-N -1 1 331.335 2.643 20 30 EFEDMM C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508849 1426733015 /nfs/dbraw/zinc/73/30/15/1426733015.db2.gz ZBROYVYOYPPDIN-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-n2cccn2)cc1 ZINC000826402561 1426733364 /nfs/dbraw/zinc/73/33/64/1426733364.db2.gz XEOLNISYQRUOMX-FLIBITNWSA-N -1 1 342.362 2.949 20 30 EFEDMM C[C@H](C#N)COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824034767 1426772930 /nfs/dbraw/zinc/77/29/30/1426772930.db2.gz OSAHRBUKSUHATI-GFCCVEGCSA-N -1 1 349.350 2.975 20 30 EFEDMM O=[N+]([O-])c1ccccc1N=NCc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823647468 1426867293 /nfs/dbraw/zinc/86/72/93/1426867293.db2.gz KHJCLMSIGQYJGY-UHFFFAOYSA-N -1 1 348.326 2.702 20 30 EFEDMM Cc1nnc(SCc2ccc(F)cc2C#N)c(-c2nnn[n-]2)c1C ZINC000826337155 1426928634 /nfs/dbraw/zinc/92/86/34/1426928634.db2.gz DRTKIJUPDQZBKI-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@H]3CCCc4cccc2c43)o1 ZINC000826323050 1427015323 /nfs/dbraw/zinc/01/53/23/1427015323.db2.gz NTIOXEKJMKXNDH-LLVKDONJSA-N -1 1 335.371 2.803 20 30 EFEDMM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000735451420 1427098026 /nfs/dbraw/zinc/09/80/26/1427098026.db2.gz ZKTOGKQRJPZZHQ-SECBINFHSA-N -1 1 340.309 2.710 20 30 EFEDMM N#Cc1cc(NC(=O)CC=Cc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000822823065 1427327170 /nfs/dbraw/zinc/32/71/70/1427327170.db2.gz JVDWECNUWGXNLS-UPHRSURJSA-N -1 1 348.341 2.919 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000825039185 1427327611 /nfs/dbraw/zinc/32/76/11/1427327611.db2.gz NXHNSBNRSDGNJJ-CQSZACIVSA-N -1 1 349.398 2.863 20 30 EFEDMM C=CCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819759361 1427345643 /nfs/dbraw/zinc/34/56/43/1427345643.db2.gz VEAVFOHSIPWZJG-UHFFFAOYSA-N -1 1 334.383 2.555 20 30 EFEDMM Cc1nc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C)s1 ZINC000823958805 1427455201 /nfs/dbraw/zinc/45/52/01/1427455201.db2.gz XJWSFLARLAUNJL-UHFFFAOYSA-N -1 1 348.823 2.825 20 30 EFEDMM CC1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824780016 1427475748 /nfs/dbraw/zinc/47/57/48/1427475748.db2.gz ZLGZAMUAZXQWGO-UHFFFAOYSA-N -1 1 345.794 2.678 20 30 EFEDMM C#Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735389828 1427478453 /nfs/dbraw/zinc/47/84/53/1427478453.db2.gz LBUDKIYBNSOMSX-VAWYXSNFSA-N -1 1 329.363 2.524 20 30 EFEDMM Cn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826360432 1427493002 /nfs/dbraw/zinc/49/30/02/1427493002.db2.gz KBPMMXVYMLUSEJ-UHFFFAOYSA-N -1 1 344.382 2.713 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(CC#N)cc1 ZINC000826251946 1427602208 /nfs/dbraw/zinc/60/22/08/1427602208.db2.gz HZNVCTINYFNLHR-UHFFFAOYSA-N -1 1 333.351 2.598 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000825038719 1427625216 /nfs/dbraw/zinc/62/52/16/1427625216.db2.gz GWCIDLRSDNLWMW-CYBMUJFWSA-N -1 1 335.371 2.555 20 30 EFEDMM COc1ccc2c(c1)OC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821850013 1427652365 /nfs/dbraw/zinc/65/23/65/1427652365.db2.gz UZOJNELBDUSGAT-MLPAPPSSSA-N -1 1 326.337 2.553 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(F)cc(F)c2)o1 ZINC000824352817 1427715340 /nfs/dbraw/zinc/71/53/40/1427715340.db2.gz PBHPMVMMSTVNEW-UHFFFAOYSA-N -1 1 333.302 2.702 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737372657 1427772735 /nfs/dbraw/zinc/77/27/35/1427772735.db2.gz HKRRKXRKAMOCSE-UITAMQMPSA-N -1 1 335.323 2.979 20 30 EFEDMM C=CCC[C@H](C(=O)N[C@@H](CCSC)c1nnn[n-]1)c1ccccc1 ZINC000912862661 1427794040 /nfs/dbraw/zinc/79/40/40/1427794040.db2.gz UGAVHVMOGAZKHM-GJZGRUSLSA-N -1 1 345.472 2.860 20 30 EFEDMM COc1ccc(C=NNc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737084129 1427894724 /nfs/dbraw/zinc/89/47/24/1427894724.db2.gz XAUXKIJIULNXLA-UHFFFAOYSA-N -1 1 345.366 2.870 20 30 EFEDMM C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612277 1427922474 /nfs/dbraw/zinc/92/24/74/1427922474.db2.gz LWPZCTWIUULPLQ-SNVBAGLBSA-N -1 1 340.337 2.867 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819743736 1427978125 /nfs/dbraw/zinc/97/81/25/1427978125.db2.gz PIWFQGXBFYPESR-UHFFFAOYSA-N -1 1 339.424 2.799 20 30 EFEDMM C=CCC(CC=C)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000819734903 1428148763 /nfs/dbraw/zinc/14/87/63/1428148763.db2.gz XFSVHIRLQJQKNW-ZDUSSCGKSA-N -1 1 342.399 2.946 20 30 EFEDMM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826374237 1428160585 /nfs/dbraw/zinc/16/05/85/1428160585.db2.gz RELAYSVJADDALL-UHFFFAOYSA-N -1 1 330.754 2.783 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000819773206 1429882180 /nfs/dbraw/zinc/88/21/80/1429882180.db2.gz SDJAFRXVIJSWAD-UHFFFAOYSA-N -1 1 328.326 2.659 20 30 EFEDMM COc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1C#N ZINC000826207186 1429903712 /nfs/dbraw/zinc/90/37/12/1429903712.db2.gz DGJSYPOWTGZGLQ-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM N#CCOc1cc(F)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822810059 1429936805 /nfs/dbraw/zinc/93/68/05/1429936805.db2.gz BEOCXIQYCDTAMC-UHFFFAOYSA-N -1 1 342.309 2.659 20 30 EFEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCCCc2ccccc2)n1 ZINC000826350321 1430015576 /nfs/dbraw/zinc/01/55/76/1430015576.db2.gz QNYJAAWAKVDYRQ-UHFFFAOYSA-N -1 1 327.779 2.946 20 30 EFEDMM N#CCC1CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000826380678 1430054632 /nfs/dbraw/zinc/05/46/32/1430054632.db2.gz JGRRGGJTLRJCAN-UHFFFAOYSA-N -1 1 347.220 2.759 20 30 EFEDMM C=CCC[C@H](C(=O)N1CCC(c2nnn[n-]2)CC1)c1ccccc1 ZINC000913744343 1430123488 /nfs/dbraw/zinc/12/34/88/1430123488.db2.gz KFPDXEOMXRRTER-INIZCTEOSA-N -1 1 325.416 2.656 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000826246555 1430134075 /nfs/dbraw/zinc/13/40/75/1430134075.db2.gz GRVHZGVAIMFKQQ-LBPRGKRZSA-N -1 1 332.367 2.538 20 30 EFEDMM COc1ccc(C#N)cc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826186948 1430144142 /nfs/dbraw/zinc/14/41/42/1430144142.db2.gz RORWXWCSSDEWPL-UHFFFAOYSA-N -1 1 346.394 2.526 20 30 EFEDMM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737081505 1430204418 /nfs/dbraw/zinc/20/44/18/1430204418.db2.gz OEMUBCUIUIYDED-JXMROGBWSA-N -1 1 349.394 2.828 20 30 EFEDMM N#Cc1ccc(-c2ccn(Cc3ccc(F)cc3-c3nn[n-]n3)n2)cc1 ZINC000737709862 1441461892 /nfs/dbraw/zinc/46/18/92/1441461892.db2.gz OBTYLYWWWYAZLU-UHFFFAOYSA-N -1 1 345.341 2.789 20 30 EFEDMM C#C[C@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819689102 1441507743 /nfs/dbraw/zinc/50/77/43/1441507743.db2.gz UPXKVAWSLMUOFB-LBPRGKRZSA-N -1 1 334.335 2.838 20 30 EFEDMM C[C@@H](C#N)Oc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000824034437 1441549384 /nfs/dbraw/zinc/54/93/84/1441549384.db2.gz JRSIUHULGSYYAS-JTQLQIEISA-N -1 1 326.385 2.831 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826246676 1441583025 /nfs/dbraw/zinc/58/30/25/1441583025.db2.gz JDZRWKUEJUSSRT-QGZVFWFLSA-N -1 1 346.394 2.950 20 30 EFEDMM C#CCN(CC)C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735374325 1441618020 /nfs/dbraw/zinc/61/80/20/1441618020.db2.gz HWNOJUCINQDJJM-UHFFFAOYSA-N -1 1 346.394 2.706 20 30 EFEDMM C=CCCOC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735416936 1441713806 /nfs/dbraw/zinc/71/38/06/1441713806.db2.gz USNJOEJUYPWFFI-UHFFFAOYSA-N -1 1 340.339 2.772 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826381883 1441749952 /nfs/dbraw/zinc/74/99/52/1441749952.db2.gz CXYDNDJMLDTEDO-QPJJXVBHSA-N -1 1 349.325 2.804 20 30 EFEDMM CCOc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825631937 1441750696 /nfs/dbraw/zinc/75/06/96/1441750696.db2.gz JGQZNKRJGQQGTF-UHFFFAOYSA-N -1 1 348.366 2.698 20 30 EFEDMM N#Cc1cc2c(nc1SCc1ccnc(-c3nnn[n-]3)c1)CCCC2 ZINC000826384233 1441860452 /nfs/dbraw/zinc/86/04/52/1441860452.db2.gz MFMUIDBXSQXJGO-UHFFFAOYSA-N -1 1 349.423 2.699 20 30 EFEDMM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735399155 1441883670 /nfs/dbraw/zinc/88/36/70/1441883670.db2.gz PRAZBJPZYUBYIL-UHFFFAOYSA-N -1 1 335.408 2.523 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1F ZINC000826383699 1441945613 /nfs/dbraw/zinc/94/56/13/1441945613.db2.gz MGUMTFVEAWTMHD-QHHAFSJGSA-N -1 1 337.289 2.913 20 30 EFEDMM CCc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)oc1CC ZINC000821471307 1441958700 /nfs/dbraw/zinc/95/87/00/1441958700.db2.gz ZFHXBZHYLPPOPR-UHFFFAOYSA-N -1 1 336.355 2.708 20 30 EFEDMM N#Cc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000822825392 1441980485 /nfs/dbraw/zinc/98/04/85/1441980485.db2.gz DDRRWLBMEGQEKC-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)n2c1 ZINC000826295653 1442004222 /nfs/dbraw/zinc/00/42/22/1442004222.db2.gz RKKBCDWKIQDARX-XQRVVYSFSA-N -1 1 348.341 2.858 20 30 EFEDMM N#Cc1ccc2[nH]cc(C=NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000822833572 1442049989 /nfs/dbraw/zinc/04/99/89/1442049989.db2.gz RXCJODVOGGQHTQ-UHFFFAOYSA-N -1 1 328.339 2.666 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(O)cc1F ZINC000823958857 1442126393 /nfs/dbraw/zinc/12/63/93/1442126393.db2.gz ZKZNXULLUWRLQD-UHFFFAOYSA-N -1 1 347.741 2.596 20 30 EFEDMM C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820457255 1442148036 /nfs/dbraw/zinc/14/80/36/1442148036.db2.gz ZDSYQGITUSLGJH-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737674582 1442171851 /nfs/dbraw/zinc/17/18/51/1442171851.db2.gz KNMHOIHLKJLAOU-AWEZNQCLSA-N -1 1 338.758 2.515 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000821849435 1442181177 /nfs/dbraw/zinc/18/11/77/1442181177.db2.gz IMXBRGAUFIAZSW-NTUHNPAUSA-N -1 1 336.326 2.837 20 30 EFEDMM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823963226 1442200017 /nfs/dbraw/zinc/20/00/17/1442200017.db2.gz YMPWNAYUPOCIMJ-UHFFFAOYSA-N -1 1 335.396 2.734 20 30 EFEDMM N#Cc1cc(F)c(NCCOc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822819425 1442209462 /nfs/dbraw/zinc/20/94/62/1442209462.db2.gz SKHVBHCRPKELRQ-UHFFFAOYSA-N -1 1 342.309 2.507 20 30 EFEDMM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400936 1442226834 /nfs/dbraw/zinc/22/68/34/1442226834.db2.gz LJSVMXMPERPKMP-ALCCZGGFSA-N -1 1 338.298 2.631 20 30 EFEDMM N#Cc1cc(NC(=O)C=CSc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737706670 1442269244 /nfs/dbraw/zinc/26/92/44/1442269244.db2.gz XXNSZTMBALZASY-HJWRWDBZSA-N -1 1 348.391 2.983 20 30 EFEDMM C[C@H](OC(=O)c1ccc(C#N)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512993 1442281454 /nfs/dbraw/zinc/28/14/54/1442281454.db2.gz RRSXPJHGLLZLTJ-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM CC(C)(C#N)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000824058713 1442320154 /nfs/dbraw/zinc/32/01/54/1442320154.db2.gz ARNPTVOZZWAEAH-UHFFFAOYSA-N -1 1 345.769 2.591 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)n2c1 ZINC000826295351 1442328575 /nfs/dbraw/zinc/32/85/75/1442328575.db2.gz DDXWEZDWHOZAPZ-GQCTYLIASA-N -1 1 348.341 2.858 20 30 EFEDMM Cc1sc(NC(=O)c2ccc(C#N)cc2C)c(-c2nn[n-]n2)c1C ZINC000826257224 1442378206 /nfs/dbraw/zinc/37/82/06/1442378206.db2.gz SWWLKPXZDPDDDL-UHFFFAOYSA-N -1 1 338.396 2.977 20 30 EFEDMM CC(C)c1csc([C@H](C#N)C(=O)c2sccc2-c2nnn[n-]2)n1 ZINC000820198463 1442444039 /nfs/dbraw/zinc/44/40/39/1442444039.db2.gz WPKXCRTXGANSAT-SECBINFHSA-N -1 1 344.425 2.998 20 30 EFEDMM C#CCCCNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823842073 1442446218 /nfs/dbraw/zinc/44/62/18/1442446218.db2.gz XYDJXZSZPUWCGK-UHFFFAOYSA-N -1 1 327.779 2.531 20 30 EFEDMM N#Cc1cc(NC(=O)c2cccc(Cl)c2F)ccc1-c1nnn[n-]1 ZINC000822822930 1442469022 /nfs/dbraw/zinc/46/90/22/1442469022.db2.gz IGOUKCHXSJPIOB-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400750 1442490917 /nfs/dbraw/zinc/49/09/17/1442490917.db2.gz HJKGHGZOKJKHET-HNQUOIGGSA-N -1 1 340.364 2.596 20 30 EFEDMM CCCC(C#N)(CCC)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825225073 1443184883 /nfs/dbraw/zinc/18/48/83/1443184883.db2.gz KNPKRHLVPFSQGZ-UHFFFAOYSA-N -1 1 326.404 2.768 20 30 EFEDMM Cc1cccc([C@@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC000822288962 1443209491 /nfs/dbraw/zinc/20/94/91/1443209491.db2.gz OCEOLZZHPRRGCQ-SNVBAGLBSA-N -1 1 337.412 2.877 20 30 EFEDMM Cc1nc(C)c(C#N)c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737471026 1443229515 /nfs/dbraw/zinc/22/95/15/1443229515.db2.gz LTABHBGHZYXESH-SNVBAGLBSA-N -1 1 337.412 2.999 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826384256 1443239325 /nfs/dbraw/zinc/23/93/25/1443239325.db2.gz NLULATIHGNQALL-WAYWQWQTSA-N -1 1 337.289 2.913 20 30 EFEDMM CCCCCCCC[C@H](C)CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000775538758 1443255787 /nfs/dbraw/zinc/25/57/87/1443255787.db2.gz MPAHUIADMPTMGJ-GJZGRUSLSA-N -1 1 337.468 2.876 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)OCO2 ZINC000822922349 1443326731 /nfs/dbraw/zinc/32/67/31/1443326731.db2.gz FSXLFNKUPUKIIG-HWKANZROSA-N -1 1 338.298 2.631 20 30 EFEDMM Fc1ccc(-n2cc(C=NNc3ccc(-c4nnn[n-]4)cc3)cn2)cc1 ZINC000737651217 1443355992 /nfs/dbraw/zinc/35/59/92/1443355992.db2.gz RBLRNOYSHNOOKA-UHFFFAOYSA-N -1 1 348.345 2.638 20 30 EFEDMM Cc1sc(NC(=O)c2ccc(CC#N)cc2)c(-c2nn[n-]n2)c1C ZINC000826349763 1443407384 /nfs/dbraw/zinc/40/73/84/1443407384.db2.gz UCUNZSKFDYWCNP-UHFFFAOYSA-N -1 1 338.396 2.863 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2 ZINC000822923269 1443437048 /nfs/dbraw/zinc/43/70/48/1443437048.db2.gz PJARQCYNAQROOW-RQOWECAXSA-N -1 1 340.364 2.596 20 30 EFEDMM N#Cc1ccc(F)c(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000822829638 1443530868 /nfs/dbraw/zinc/53/08/68/1443530868.db2.gz BFQFECOPRDOAHC-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1Cl ZINC000822823821 1443574989 /nfs/dbraw/zinc/57/49/89/1443574989.db2.gz ZOOPHDMJUAALIV-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM CCOc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000825632686 1443581083 /nfs/dbraw/zinc/58/10/83/1443581083.db2.gz ZNJZNFFMAZKWMV-UHFFFAOYSA-N -1 1 326.385 2.811 20 30 EFEDMM C=CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccc(OC)cc1 ZINC000823909698 1443598541 /nfs/dbraw/zinc/59/85/41/1443598541.db2.gz NTRXZCHNXACXBV-UHFFFAOYSA-N -1 1 325.372 2.657 20 30 EFEDMM Cc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1C ZINC000826297789 1443604778 /nfs/dbraw/zinc/60/47/78/1443604778.db2.gz SGLSJCWSJGBGTJ-UHFFFAOYSA-N -1 1 327.779 2.978 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744065 1443605834 /nfs/dbraw/zinc/60/58/34/1443605834.db2.gz VDEKACNOCDJRDP-UHFFFAOYSA-N -1 1 347.422 2.667 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000826383496 1443606602 /nfs/dbraw/zinc/60/66/02/1443606602.db2.gz DEGBKADLWXKQHM-QHHAFSJGSA-N -1 1 337.289 2.913 20 30 EFEDMM Cc1ccc(-c2nnn[n-]2)cc1OCCCOc1ccc(C#N)cc1 ZINC000822221183 1443628945 /nfs/dbraw/zinc/62/89/45/1443628945.db2.gz DPHULAAGDGAZRQ-UHFFFAOYSA-N -1 1 335.367 2.895 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC[C@@H]1CCc2ccccc21 ZINC000826383869 1443648430 /nfs/dbraw/zinc/64/84/30/1443648430.db2.gz VDRXLQTUHQPKOQ-NSHDSACASA-N -1 1 349.423 2.538 20 30 EFEDMM C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)c(F)c1 ZINC000824606521 1443653479 /nfs/dbraw/zinc/65/34/79/1443653479.db2.gz PSZIXMMIKFJFKK-SNVBAGLBSA-N -1 1 340.337 2.867 20 30 EFEDMM N#Cc1cc(NC(=O)c2cnc3ccsc3c2)ccc1-c1nn[n-]n1 ZINC000737708369 1443711619 /nfs/dbraw/zinc/71/16/19/1443711619.db2.gz COHGXWQOOCEBIH-UHFFFAOYSA-N -1 1 347.363 2.600 20 30 EFEDMM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000737472277 1443721347 /nfs/dbraw/zinc/72/13/47/1443721347.db2.gz YMMNAVCYIADUQK-JTQLQIEISA-N -1 1 337.412 2.999 20 30 EFEDMM COc1ccc(OC)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737107716 1443748669 /nfs/dbraw/zinc/74/86/69/1443748669.db2.gz GBYDDOIZMMDPKA-VURMDHGXSA-N -1 1 336.351 2.780 20 30 EFEDMM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824137242 1443773848 /nfs/dbraw/zinc/77/38/48/1443773848.db2.gz ZCQNODGSVITNFZ-SNAWJCMRSA-N -1 1 328.401 2.845 20 30 EFEDMM CC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736310119 1443786596 /nfs/dbraw/zinc/78/65/96/1443786596.db2.gz UWZKANWGZXKNEY-CQSZACIVSA-N -1 1 348.366 2.691 20 30 EFEDMM C#Cc1cccc(N(C)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391226 1443800235 /nfs/dbraw/zinc/80/02/35/1443800235.db2.gz OYYOTHRFCBRIJS-UHFFFAOYSA-N -1 1 349.419 2.603 20 30 EFEDMM CC(=NNCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953869 1443802904 /nfs/dbraw/zinc/80/29/04/1443802904.db2.gz SYWQFIIKLGXZNT-UHFFFAOYSA-N -1 1 328.326 2.659 20 30 EFEDMM N#Cc1nnc2ccccc2c1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000822846290 1443874705 /nfs/dbraw/zinc/87/47/05/1443874705.db2.gz UNIZGNRKULMEPC-UHFFFAOYSA-N -1 1 349.354 2.972 20 30 EFEDMM CCCCCCCCCN(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825270805 1443894671 /nfs/dbraw/zinc/89/46/71/1443894671.db2.gz DPEYDPZGHMUFEF-UHFFFAOYSA-N -1 1 348.451 2.915 20 30 EFEDMM O=C(OCC#Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463213 1443917873 /nfs/dbraw/zinc/91/78/73/1443917873.db2.gz WINPDBLIBMVNFH-UHFFFAOYSA-N -1 1 338.754 2.729 20 30 EFEDMM CCNc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825480671 1443931771 /nfs/dbraw/zinc/93/17/71/1443931771.db2.gz FXSCURZDPYDVLM-UHFFFAOYSA-N -1 1 349.398 2.791 20 30 EFEDMM CC[C@H]1C[C@H](CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184383 1446091848 /nfs/dbraw/zinc/09/18/48/1446091848.db2.gz SVWQUSHKUZNWCA-MNOVXSKESA-N -1 1 333.396 2.581 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826384664 1446123734 /nfs/dbraw/zinc/12/37/34/1446123734.db2.gz FAVPHLCMDDBGNK-XQRVVYSFSA-N -1 1 337.289 2.913 20 30 EFEDMM COc1ccccc1C=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737149689 1446210844 /nfs/dbraw/zinc/21/08/44/1446210844.db2.gz YPGMNIWPBSZXHC-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM COc1ccc(O)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821837367 1446232976 /nfs/dbraw/zinc/23/29/76/1446232976.db2.gz CUKJLXJSIBQCTN-HYXAFXHYSA-N -1 1 328.353 2.539 20 30 EFEDMM CN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732625 1446238639 /nfs/dbraw/zinc/23/86/39/1446238639.db2.gz MYNHTNNNKFPMLP-CLFYSBASSA-N -1 1 348.341 2.554 20 30 EFEDMM C=CCN(CCc1ccco1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823909992 1446309957 /nfs/dbraw/zinc/30/99/57/1446309957.db2.gz VHZBAPXQEXPVIU-UHFFFAOYSA-N -1 1 327.363 2.830 20 30 EFEDMM Clc1ccc(C=NOCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000826352327 1446346437 /nfs/dbraw/zinc/34/64/37/1446346437.db2.gz WZPMSEBBUNYDAZ-UHFFFAOYSA-N -1 1 343.774 2.950 20 30 EFEDMM CCCCCCCCCC(=O)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907474318 1446408676 /nfs/dbraw/zinc/40/86/76/1446408676.db2.gz GNDCPYCMYKWDLW-CYBMUJFWSA-N -1 1 325.482 2.957 20 30 EFEDMM C#CCCCNC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819693613 1446418052 /nfs/dbraw/zinc/41/80/52/1446418052.db2.gz UJRKEFNDKVCRIY-UHFFFAOYSA-N -1 1 346.394 2.754 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCCc2ccc(F)cc2)o1 ZINC000820197507 1446451497 /nfs/dbraw/zinc/45/14/97/1446451497.db2.gz KLEZATJHLQNELC-UHFFFAOYSA-N -1 1 329.339 2.758 20 30 EFEDMM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402859 1446517823 /nfs/dbraw/zinc/51/78/23/1446517823.db2.gz DMOZZYSNPBYNKT-FNORWQNLSA-N -1 1 334.314 2.550 20 30 EFEDMM Cc1c(Cl)cnc(NCc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826240121 1446653596 /nfs/dbraw/zinc/65/35/96/1446653596.db2.gz CXCMNKAUKVBLMO-UHFFFAOYSA-N -1 1 325.763 2.707 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819758602 1446653682 /nfs/dbraw/zinc/65/36/82/1446653682.db2.gz AQHGFULVBYAICQ-UHFFFAOYSA-N -1 1 328.353 2.712 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1[N+](=O)[O-] ZINC000823503748 1446945212 /nfs/dbraw/zinc/94/52/12/1446945212.db2.gz IKYBPEBCKVZDRS-RAXLEYEMSA-N -1 1 347.334 2.987 20 30 EFEDMM C=CCNc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)s1 ZINC000819751062 1446957193 /nfs/dbraw/zinc/95/71/93/1446957193.db2.gz NWYAUJWLFFATIN-UHFFFAOYSA-N -1 1 349.420 2.748 20 30 EFEDMM CC(C)(C)CN(CCC#N)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735603301 1446978987 /nfs/dbraw/zinc/97/89/87/1446978987.db2.gz ZBJDNGQHKSLKIU-UHFFFAOYSA-N -1 1 343.460 2.825 20 30 EFEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)OCO2 ZINC000822921983 1446980515 /nfs/dbraw/zinc/98/05/15/1446980515.db2.gz BMGUEGCXLNMBKU-NSCUHMNNSA-N -1 1 326.337 2.553 20 30 EFEDMM COc1cccc(O)c1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826217598 1447056908 /nfs/dbraw/zinc/05/69/08/1447056908.db2.gz UMAVTYFRLQJQFV-UHFFFAOYSA-N -1 1 344.762 2.680 20 30 EFEDMM Cc1c(NN=Cc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822122319 1447077356 /nfs/dbraw/zinc/07/73/56/1447077356.db2.gz KXZGEJYYTLIIBP-UHFFFAOYSA-N -1 1 341.306 2.668 20 30 EFEDMM C=CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccncc1 ZINC000823888777 1447083256 /nfs/dbraw/zinc/08/32/56/1447083256.db2.gz WIWYPCJEFWELCG-MRXNPFEDSA-N -1 1 334.383 2.617 20 30 EFEDMM N#CC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCCC1 ZINC000822801919 1447152084 /nfs/dbraw/zinc/15/20/84/1447152084.db2.gz QXNIFJGVZOGEHZ-UHFFFAOYSA-N -1 1 330.779 2.933 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826384255 1447164094 /nfs/dbraw/zinc/16/40/94/1447164094.db2.gz NLULATIHGNQALL-AATRIKPKSA-N -1 1 337.289 2.913 20 30 EFEDMM N#Cc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1-c1nnn[n-]1 ZINC000737706244 1447260724 /nfs/dbraw/zinc/26/07/24/1447260724.db2.gz WSSLWLVWRLYKEJ-UHFFFAOYSA-N -1 1 344.378 2.799 20 30 EFEDMM N#CCC1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000826380963 1447301680 /nfs/dbraw/zinc/30/16/80/1447301680.db2.gz SEZZWLFAYPQUDH-UHFFFAOYSA-N -1 1 348.357 2.594 20 30 EFEDMM N#CCC1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000826380963 1447301683 /nfs/dbraw/zinc/30/16/83/1447301683.db2.gz SEZZWLFAYPQUDH-UHFFFAOYSA-N -1 1 348.357 2.594 20 30 EFEDMM N#Cc1cccc(OCCOc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822837934 1449101956 /nfs/dbraw/zinc/10/19/56/1449101956.db2.gz ZITCZCXUIWPLAE-UHFFFAOYSA-N -1 1 341.758 2.850 20 30 EFEDMM FC(F)(F)c1cc(N=NCC[C@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC000826368677 1449137932 /nfs/dbraw/zinc/13/79/32/1449137932.db2.gz YMUNTXVUVINRJP-VIFPVBQESA-N -1 1 340.309 2.710 20 30 EFEDMM C=C[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000819729644 1449189360 /nfs/dbraw/zinc/18/93/60/1449189360.db2.gz JZJDBMGEHDBSMH-ZDUSSCGKSA-N -1 1 328.420 2.609 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CCO2 ZINC000826212482 1449279469 /nfs/dbraw/zinc/27/94/69/1449279469.db2.gz RXCSDTAWUKUJNY-JLHYYAGUSA-N -1 1 348.362 2.924 20 30 EFEDMM Clc1ccnc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000826353970 1449382200 /nfs/dbraw/zinc/38/22/00/1449382200.db2.gz LFSGKTQOLBSUFG-UHFFFAOYSA-N -1 1 338.762 2.842 20 30 EFEDMM COc1ccccc1CC(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821889943 1449428662 /nfs/dbraw/zinc/42/86/62/1449428662.db2.gz HQOOJSGPPDHOCU-UHFFFAOYSA-N -1 1 336.399 2.584 20 30 EFEDMM C=CCC[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894022 1449554848 /nfs/dbraw/zinc/55/48/48/1449554848.db2.gz FAKCTVOQCBHTPD-AWEZNQCLSA-N -1 1 328.372 2.534 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccnc3ccccc23)o1 ZINC000735940319 1449585562 /nfs/dbraw/zinc/58/55/62/1449585562.db2.gz YLXCRIRPLKMPMY-UHFFFAOYSA-N -1 1 348.370 2.972 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826384362 1449670759 /nfs/dbraw/zinc/67/07/59/1449670759.db2.gz SAKJFRAWQZNJEZ-HYXAFXHYSA-N -1 1 325.328 2.835 20 30 EFEDMM c1cn(Cc2ccccc2)c(CN=Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735399863 1449699357 /nfs/dbraw/zinc/69/93/57/1449699357.db2.gz MQHPGOILZZGHOM-UHFFFAOYSA-N -1 1 344.382 2.558 20 30 EFEDMM c1cn(Cc2ccccc2)c(CN=Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735399863 1449699362 /nfs/dbraw/zinc/69/93/62/1449699362.db2.gz MQHPGOILZZGHOM-UHFFFAOYSA-N -1 1 344.382 2.558 20 30 EFEDMM CC(=NNc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963179 1449940028 /nfs/dbraw/zinc/94/00/28/1449940028.db2.gz XKALQXBHDDNKKJ-UHFFFAOYSA-N -1 1 348.345 2.785 20 30 EFEDMM CC(N=Nc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963179 1449940030 /nfs/dbraw/zinc/94/00/30/1449940030.db2.gz XKALQXBHDDNKKJ-UHFFFAOYSA-N -1 1 348.345 2.785 20 30 EFEDMM CC(N=Nc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963179 1449940033 /nfs/dbraw/zinc/94/00/33/1449940033.db2.gz XKALQXBHDDNKKJ-UHFFFAOYSA-N -1 1 348.345 2.785 20 30 EFEDMM Cc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826289077 1449956812 /nfs/dbraw/zinc/95/68/12/1449956812.db2.gz JNFXHPWVQJFJHJ-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM C#CCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823840674 1449957408 /nfs/dbraw/zinc/95/74/08/1449957408.db2.gz BAWZWZBANXCDDZ-UHFFFAOYSA-N -1 1 328.372 2.502 20 30 EFEDMM CC[C@@H]1C[C@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000825183438 1449960679 /nfs/dbraw/zinc/96/06/79/1449960679.db2.gz OQGBFMLJIUGLHX-MWLCHTKSSA-N -1 1 335.799 2.518 20 30 EFEDMM C=CC[C@@H](C)NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735410082 1450025400 /nfs/dbraw/zinc/02/54/00/1450025400.db2.gz SZRSZPVULYOMKL-CYBMUJFWSA-N -1 1 328.420 2.753 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826380402 1450068574 /nfs/dbraw/zinc/06/85/74/1450068574.db2.gz ZJSXVSVANUJOFE-GOEBONIOSA-N -1 1 331.383 2.538 20 30 EFEDMM N#Cc1cc(NC(=O)[C@H](c2ccccc2)C2CC2)ccc1-c1nnn[n-]1 ZINC000826384298 1450086028 /nfs/dbraw/zinc/08/60/28/1450086028.db2.gz PPRRKQSLPHZOMV-QGZVFWFLSA-N -1 1 344.378 2.871 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)OCC ZINC000823872655 1450143294 /nfs/dbraw/zinc/14/32/94/1450143294.db2.gz CKWSOAHRDGLOCP-CYBMUJFWSA-N -1 1 335.795 2.830 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819722197 1450169080 /nfs/dbraw/zinc/16/90/80/1450169080.db2.gz BXDVIUULUUJPLJ-GFCCVEGCSA-N -1 1 331.445 2.772 20 30 EFEDMM O=C(C#Cc1ccccc1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826396929 1450281684 /nfs/dbraw/zinc/28/16/84/1450281684.db2.gz OSLHMXRBKYJQOL-UHFFFAOYSA-N -1 1 338.754 2.615 20 30 EFEDMM C=CCCOCCCCC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823898831 1450315514 /nfs/dbraw/zinc/31/55/14/1450315514.db2.gz DCRFHZZRKGVEPR-UHFFFAOYSA-N -1 1 343.431 2.588 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823893958 1450407143 /nfs/dbraw/zinc/40/71/43/1450407143.db2.gz CHFXEYQYOMUKJA-ZDUSSCGKSA-N -1 1 340.431 2.900 20 30 EFEDMM FC(F)(F)c1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)nc1 ZINC000822728294 1450419641 /nfs/dbraw/zinc/41/96/41/1450419641.db2.gz FQSVQXIVQCPYRJ-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM COc1ccc(OC)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210685 1450421291 /nfs/dbraw/zinc/42/12/91/1450421291.db2.gz AFOMEZJNGPBMKJ-CLFYSBASSA-N -1 1 336.351 2.780 20 30 EFEDMM COCC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000821679772 1450482248 /nfs/dbraw/zinc/48/22/48/1450482248.db2.gz MFYJBOOVLOLCDK-UHFFFAOYSA-N -1 1 340.309 2.710 20 30 EFEDMM c1ccc2c(c1)CSCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823801765 1450504221 /nfs/dbraw/zinc/50/42/21/1450504221.db2.gz AMWTUKYVWYXPKL-UHFFFAOYSA-N -1 1 336.424 2.607 20 30 EFEDMM C=CCCCN(C)C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735408078 1450512913 /nfs/dbraw/zinc/51/29/13/1450512913.db2.gz FRVYDHXHJOOMJN-MRXNPFEDSA-N -1 1 343.431 2.695 20 30 EFEDMM COc1ccc2oc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2c1 ZINC000160347420 713933591 /nfs/dbraw/zinc/93/35/91/713933591.db2.gz BOQRPNMBQJUFHQ-RCFWFJCLSA-N -1 1 326.304 2.670 20 30 EFEDMM COc1ccc2oc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2c1 ZINC000160347569 713934913 /nfs/dbraw/zinc/93/49/13/713934913.db2.gz BOQRPNMBQJUFHQ-NJELEJDNSA-N -1 1 326.304 2.670 20 30 EFEDMM C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000971107497 714362368 /nfs/dbraw/zinc/36/23/68/714362368.db2.gz FICUQQQBCGFPET-ZDUSSCGKSA-N -1 1 341.436 2.672 20 30 EFEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C#N)ccc2F)c(=O)[n-]1 ZINC000891447895 714711636 /nfs/dbraw/zinc/71/16/36/714711636.db2.gz DEZHKLVQMCHXOQ-UHFFFAOYSA-N -1 1 346.387 2.795 20 30 EFEDMM C=CCC1(O)CCN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000924428149 715578507 /nfs/dbraw/zinc/57/85/07/715578507.db2.gz JOYWBJWODBVURX-UHFFFAOYSA-N -1 1 339.819 2.988 20 30 EFEDMM C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000975872325 716020791 /nfs/dbraw/zinc/02/07/91/716020791.db2.gz AEFHDIHDGLDUFJ-AWEZNQCLSA-N -1 1 345.443 2.500 20 30 EFEDMM N#Cc1cccc(OCCSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000091617696 716075896 /nfs/dbraw/zinc/07/58/96/716075896.db2.gz ILSAZFPOXQXYNO-UHFFFAOYSA-N -1 1 332.347 2.739 20 30 EFEDMM C#CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000162833408 716908265 /nfs/dbraw/zinc/90/82/65/716908265.db2.gz FYSSDCOXXFSTDM-UHFFFAOYSA-N -1 1 347.367 2.807 20 30 EFEDMM CC(CCc1ccc(F)cc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000917547846 728755109 /nfs/dbraw/zinc/75/51/09/728755109.db2.gz DVLOULGAHWWTAI-UHFFFAOYSA-N -1 1 345.399 2.873 20 30 EFEDMM CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc(F)cc1[O-] ZINC000727777769 723121207 /nfs/dbraw/zinc/12/12/07/723121207.db2.gz UQPIEQNJHCACSV-UHFFFAOYSA-N -1 1 326.331 2.614 20 30 EFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000160149256 723155021 /nfs/dbraw/zinc/15/50/21/723155021.db2.gz MHLWZHQDODOTPI-GFCCVEGCSA-N -1 1 329.381 2.675 20 30 EFEDMM C#C[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000185339824 723344628 /nfs/dbraw/zinc/34/46/28/723344628.db2.gz FTNSPWDQYAPPII-SNVBAGLBSA-N -1 1 344.317 2.674 20 30 EFEDMM N#CCCNC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000429441647 723512831 /nfs/dbraw/zinc/51/28/31/723512831.db2.gz HAYVOYPMSUMLDW-UHFFFAOYSA-N -1 1 333.347 2.964 20 30 EFEDMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)N(C)CCC#N ZINC000730358881 725814748 /nfs/dbraw/zinc/81/47/48/725814748.db2.gz DFHVXNLVKNOQKW-MRVPVSSYSA-N -1 1 345.182 2.616 20 30 EFEDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC(C)(C)C#N)CCCCC1 ZINC000914272409 726213146 /nfs/dbraw/zinc/21/31/46/726213146.db2.gz AWOUBKMYFSLFMP-UHFFFAOYSA-N -1 1 344.477 2.500 20 30 EFEDMM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908744459 727253963 /nfs/dbraw/zinc/25/39/63/727253963.db2.gz VCVUHCZUGBFPGJ-CABCVRRESA-N -1 1 349.431 2.525 20 30 EFEDMM C=CCC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908744462 727253977 /nfs/dbraw/zinc/25/39/77/727253977.db2.gz VCVUHCZUGBFPGJ-LSDHHAIUSA-N -1 1 349.431 2.525 20 30 EFEDMM C=CCC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000909712069 727366141 /nfs/dbraw/zinc/36/61/41/727366141.db2.gz GQEWCWVBUUMIJN-SJORKVTESA-N -1 1 330.428 2.577 20 30 EFEDMM C=CCC[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000909712069 727366144 /nfs/dbraw/zinc/36/61/44/727366144.db2.gz GQEWCWVBUUMIJN-SJORKVTESA-N -1 1 330.428 2.577 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=C2c3ccccc3N(CCC(C)C)C2=O)n1 ZINC000916241436 727668039 /nfs/dbraw/zinc/66/80/39/727668039.db2.gz BIAMZTPGLCFWJO-UHFFFAOYSA-N -1 1 339.399 2.700 20 30 EFEDMM C=CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000916613105 727701631 /nfs/dbraw/zinc/70/16/31/727701631.db2.gz PCZBABQPULWSLD-UHFFFAOYSA-N -1 1 349.383 2.898 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)c1 ZINC000916892579 727740735 /nfs/dbraw/zinc/74/07/35/727740735.db2.gz IJMJBZOMCFXNSA-AWEZNQCLSA-N -1 1 339.351 2.523 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1 ZINC000916952308 727748062 /nfs/dbraw/zinc/74/80/62/727748062.db2.gz HHKYCHYIFOBHAE-CQSZACIVSA-N -1 1 339.351 2.523 20 30 EFEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000058848395 728234647 /nfs/dbraw/zinc/23/46/47/728234647.db2.gz LCVSGBVZLVAOSE-UHFFFAOYSA-N -1 1 335.356 2.969 20 30 EFEDMM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc([O-])cc1 ZINC000063427820 728625766 /nfs/dbraw/zinc/62/57/66/728625766.db2.gz PICHNOASMWXPER-ZZXKWVIFSA-N -1 1 327.292 2.968 20 30 EFEDMM CC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000174224775 728655289 /nfs/dbraw/zinc/65/52/89/728655289.db2.gz XUZPRZAMGFYJOT-UHFFFAOYSA-N -1 1 347.367 2.807 20 30 EFEDMM C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000921296002 729284675 /nfs/dbraw/zinc/28/46/75/729284675.db2.gz BGAWENNQGBGAOI-CYBMUJFWSA-N -1 1 338.816 2.568 20 30 EFEDMM C#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c(Cl)c1 ZINC001573290973 946913462 /nfs/dbraw/zinc/91/34/62/946913462.db2.gz TYEQHUNNOZLFCH-UHFFFAOYSA-N -1 1 327.731 2.655 20 30 EFEDMM C#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c(Cl)c1 ZINC001573290973 946913466 /nfs/dbraw/zinc/91/34/66/946913466.db2.gz TYEQHUNNOZLFCH-UHFFFAOYSA-N -1 1 327.731 2.655 20 30 EFEDMM C#Cc1ccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001602704811 971338596 /nfs/dbraw/zinc/33/85/96/971338596.db2.gz UTZSOQVKPFUWIC-KRWDZBQOSA-N -1 1 338.407 2.852 20 30 EFEDMM C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C(=O)[O-] ZINC001589355025 954122389 /nfs/dbraw/zinc/12/23/89/954122389.db2.gz LMLSPCJZZZTDAK-ZWNOBZJWSA-N -1 1 337.217 2.863 20 30 EFEDMM CC(C)C[N@@H+](Cc1cc(C(=O)[O-])nn1C)Cc1ccc(C#N)cc1 ZINC001603025502 972085503 /nfs/dbraw/zinc/08/55/03/972085503.db2.gz HETBSZHITZCMSW-UHFFFAOYSA-N -1 1 326.400 2.648 20 30 EFEDMM CC(C)CN(Cc1cc(C(=O)[O-])nn1C)Cc1ccc(C#N)cc1 ZINC001603025502 972085505 /nfs/dbraw/zinc/08/55/05/972085505.db2.gz HETBSZHITZCMSW-UHFFFAOYSA-N -1 1 326.400 2.648 20 30 EFEDMM CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC001588543697 958983777 /nfs/dbraw/zinc/98/37/77/958983777.db2.gz QKFDZTSXFXPVOT-WBMJQRKESA-N -1 1 349.456 2.576 20 30 EFEDMM N#Cc1ccc(Br)c(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])c1 ZINC001571227660 962600537 /nfs/dbraw/zinc/60/05/37/962600537.db2.gz CRDQZCQIXBCVHH-DOMZBBRYSA-N -1 1 335.201 2.760 20 30 EFEDMM C=CCCC[C@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC001573356933 963010034 /nfs/dbraw/zinc/01/00/34/963010034.db2.gz GXWWFOJLZMZRDL-DLBZAZTESA-N -1 1 341.411 2.662 20 30 EFEDMM C=CCCC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1O)C(=O)[O-] ZINC001573365760 963055169 /nfs/dbraw/zinc/05/51/69/963055169.db2.gz HZGTUEVCKHYOSA-LLVKDONJSA-N -1 1 331.290 2.950 20 30 EFEDMM N#CC[C@H]1CCCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001605582058 973864166 /nfs/dbraw/zinc/86/41/66/973864166.db2.gz SNUARQFIXJFRCC-CABCVRRESA-N -1 1 331.416 2.706 20 30 EFEDMM C=CCOC[C@H](NCc1c(Cl)cc(Cl)cc1N(C)C)C(=O)[O-] ZINC000901808419 980529439 /nfs/dbraw/zinc/52/94/39/980529439.db2.gz FHSFHSHKIDGFSO-ZDUSSCGKSA-N -1 1 347.242 2.805 20 30 EFEDMM C=CCOC[C@@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000901809735 980530775 /nfs/dbraw/zinc/53/07/75/980530775.db2.gz GZHXITCTVDOJJW-GFCCVEGCSA-N -1 1 348.624 2.848 20 30 EFEDMM C=CCOC[C@@H](NCc1cc(Br)c(C)s1)C(=O)[O-] ZINC000901809424 980530861 /nfs/dbraw/zinc/53/08/61/980530861.db2.gz DMEWLXBDLKVXFA-LLVKDONJSA-N -1 1 334.235 2.564 20 30 EFEDMM CCCCCCCS(=O)(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595708994 982288714 /nfs/dbraw/zinc/28/87/14/982288714.db2.gz PMAXBHZPILLEMS-UHFFFAOYSA-N -1 1 339.417 2.973 20 30 EFEDMM CCCOc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)ccc1OC ZINC001595950171 983119700 /nfs/dbraw/zinc/11/97/00/983119700.db2.gz NFWIQOWCTGWWGR-UHFFFAOYSA-N -1 1 332.400 2.674 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)cc1 ZINC001574790920 983276370 /nfs/dbraw/zinc/27/63/70/983276370.db2.gz JYUZCCLENWAWRR-UHFFFAOYSA-N -1 1 325.368 2.628 20 30 EFEDMM C#C[C@@](C)(CC)NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588367468 983299317 /nfs/dbraw/zinc/29/93/17/983299317.db2.gz VCIUTTYPRSXASA-KRWDZBQOSA-N -1 1 334.441 2.655 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC001588615359 983711414 /nfs/dbraw/zinc/71/14/14/983711414.db2.gz RLNQAJBYLKIVPW-GOSISDBHSA-N -1 1 344.455 2.921 20 30 EFEDMM C=CCC[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC001588776981 984154642 /nfs/dbraw/zinc/15/46/42/984154642.db2.gz PJBJHJRYRBBZJE-FUHWJXTLSA-N -1 1 344.455 2.744 20 30 EFEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC001594501122 985683920 /nfs/dbraw/zinc/68/39/20/985683920.db2.gz LXJKFGZGMJZINQ-SWHYSGLUSA-N -1 1 342.317 2.726 20 30 EFEDMM Cc1[nH]c(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001599961818 985797842 /nfs/dbraw/zinc/79/78/42/985797842.db2.gz BLEIIJGLEOWKAU-UHFFFAOYSA-N -1 1 339.395 2.936 20 30 EFEDMM CCc1oc(C=NNc2nnc(-c3ccccc3)n2C)cc1C(=O)[O-] ZINC001597793216 989341400 /nfs/dbraw/zinc/34/14/00/989341400.db2.gz WKRAGNJDVZJGDV-UHFFFAOYSA-N -1 1 339.355 2.782 20 30 EFEDMM C[C@H](NCCCOc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001593266982 994583307 /nfs/dbraw/zinc/58/33/07/994583307.db2.gz IAXYCBHYDKHELP-NSHDSACASA-N -1 1 331.397 2.833 20 30 EFEDMM C[C@@H](Oc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1F)C(=O)[O-] ZINC001593633831 995924252 /nfs/dbraw/zinc/92/42/52/995924252.db2.gz KAADYOYJDRUDDP-SECBINFHSA-N -1 1 344.298 2.507 20 30 EFEDMM COCc1ccccc1/C=C(/C)CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001599298036 997182326 /nfs/dbraw/zinc/18/23/26/997182326.db2.gz UCAYSHPNNSRNEQ-PTNGSMBKSA-N -1 1 328.412 2.927 20 30 EFEDMM COc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1C#N ZINC001599408065 997366366 /nfs/dbraw/zinc/36/63/66/997366366.db2.gz FKRIPPVGWYFNEG-OLZOCXBDSA-N -1 1 342.317 2.652 20 30 EFEDMM COc1ccc([C@H](NCc2ccc(C)c(C#N)c2)C(=O)[O-])c(OC)c1 ZINC001599533288 997698094 /nfs/dbraw/zinc/69/80/94/997698094.db2.gz ZCUMACUUPXACFY-SFHVURJKSA-N -1 1 340.379 2.799 20 30 EFEDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001575440695 1088472623 /nfs/dbraw/zinc/47/26/23/1088472623.db2.gz ZOSDQKCBGHUQEN-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001575440695 1088472629 /nfs/dbraw/zinc/47/26/29/1088472629.db2.gz ZOSDQKCBGHUQEN-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc(OC)c1C ZINC001647205695 1089080922 /nfs/dbraw/zinc/08/09/22/1089080922.db2.gz WNEZNHABLQBGTE-UHFFFAOYSA-N -1 1 346.408 2.879 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C#N ZINC001578492970 1090385668 /nfs/dbraw/zinc/38/56/68/1090385668.db2.gz WSOZRFAOLNRZOW-UHFFFAOYSA-N -1 1 344.425 2.985 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C#N ZINC001578492970 1090385675 /nfs/dbraw/zinc/38/56/75/1090385675.db2.gz WSOZRFAOLNRZOW-UHFFFAOYSA-N -1 1 344.425 2.985 20 30 EFEDMM Cc1c(C#N)c(NC(=O)c2csc(-c3nn[n-]n3)c2)n2ccccc12 ZINC001580526455 1090933867 /nfs/dbraw/zinc/93/38/67/1090933867.db2.gz YZNZIECRUUWQTK-UHFFFAOYSA-N -1 1 349.379 2.613 20 30 EFEDMM N#Cc1nc(Nc2ccc(OC3CCCC3)cc2)cnc1-c1nnn[n-]1 ZINC001581881141 1091330481 /nfs/dbraw/zinc/33/04/81/1091330481.db2.gz MCCCRNRRCCPTHC-UHFFFAOYSA-N -1 1 348.370 2.593 20 30 EFEDMM N#Cc1nc(Nc2ccc(OC3CCCC3)cc2)cnc1-c1nn[n-]n1 ZINC001581881141 1091330491 /nfs/dbraw/zinc/33/04/91/1091330491.db2.gz MCCCRNRRCCPTHC-UHFFFAOYSA-N -1 1 348.370 2.593 20 30 EFEDMM C#C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328802 1092925694 /nfs/dbraw/zinc/92/56/94/1092925694.db2.gz QUHRKOBFGROERV-JTQLQIEISA-N -1 1 344.331 2.762 20 30 EFEDMM C#C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328802 1092925703 /nfs/dbraw/zinc/92/57/03/1092925703.db2.gz QUHRKOBFGROERV-JTQLQIEISA-N -1 1 344.331 2.762 20 30 EFEDMM C#CC[C@@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001588335398 1092928592 /nfs/dbraw/zinc/92/85/92/1092928592.db2.gz LPNMFPKGGYZUCB-SNVBAGLBSA-N -1 1 336.321 2.520 20 30 EFEDMM C#CC[C@@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001588335398 1092928605 /nfs/dbraw/zinc/92/86/05/1092928605.db2.gz LPNMFPKGGYZUCB-SNVBAGLBSA-N -1 1 336.321 2.520 20 30 EFEDMM C=C(C)COc1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001588430258 1092944096 /nfs/dbraw/zinc/94/40/96/1092944096.db2.gz VBTVYZNCRWWWBZ-UHFFFAOYSA-N -1 1 325.328 2.667 20 30 EFEDMM C=C(C)COc1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001588430258 1092944104 /nfs/dbraw/zinc/94/41/04/1092944104.db2.gz VBTVYZNCRWWWBZ-UHFFFAOYSA-N -1 1 325.328 2.667 20 30 EFEDMM C=C(C)CN(CC)C(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001588426001 1092946000 /nfs/dbraw/zinc/94/60/00/1092946000.db2.gz GHSLCJSSOHOJKZ-UHFFFAOYSA-N -1 1 335.408 2.523 20 30 EFEDMM C=CC(C)(C)CC(=O)N(CCC)c1snc(C)c1-c1nnn[n-]1 ZINC001588480529 1092950334 /nfs/dbraw/zinc/95/03/34/1092950334.db2.gz AOPWKPRKHAAOGC-UHFFFAOYSA-N -1 1 334.449 2.977 20 30 EFEDMM C=CC(C)(C)CC(=O)N(CCC)c1snc(C)c1-c1nn[n-]n1 ZINC001588480529 1092950341 /nfs/dbraw/zinc/95/03/41/1092950341.db2.gz AOPWKPRKHAAOGC-UHFFFAOYSA-N -1 1 334.449 2.977 20 30 EFEDMM C=C[C@H](CC(=O)OCc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001588518863 1092952832 /nfs/dbraw/zinc/95/28/32/1092952832.db2.gz MIOHHWZGGPHWAW-CYBMUJFWSA-N -1 1 335.367 2.665 20 30 EFEDMM C=C[C@H](CC(=O)OCc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001588518863 1092952836 /nfs/dbraw/zinc/95/28/36/1092952836.db2.gz MIOHHWZGGPHWAW-CYBMUJFWSA-N -1 1 335.367 2.665 20 30 EFEDMM C=CC1(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCCCC1 ZINC001588527936 1092954857 /nfs/dbraw/zinc/95/48/57/1092954857.db2.gz ZTGYFPAYTYXRCA-UHFFFAOYSA-N -1 1 341.419 2.932 20 30 EFEDMM C=CC[C@@H](CC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588540848 1092956192 /nfs/dbraw/zinc/95/61/92/1092956192.db2.gz GOLHTSJWZYISFW-GFCCVEGCSA-N -1 1 340.387 2.643 20 30 EFEDMM C=CC[C@@H](CC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588540848 1092956207 /nfs/dbraw/zinc/95/62/07/1092956207.db2.gz GOLHTSJWZYISFW-GFCCVEGCSA-N -1 1 340.387 2.643 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588545826 1092959197 /nfs/dbraw/zinc/95/91/97/1092959197.db2.gz PAQMYKINLFXIHF-CQSZACIVSA-N -1 1 349.398 2.571 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588545826 1092959205 /nfs/dbraw/zinc/95/92/05/1092959205.db2.gz PAQMYKINLFXIHF-CQSZACIVSA-N -1 1 349.398 2.571 20 30 EFEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588560408 1092959675 /nfs/dbraw/zinc/95/96/75/1092959675.db2.gz PYSOVNHMSXGSNP-JQWIXIFHSA-N -1 1 346.822 2.780 20 30 EFEDMM Cc1ncsc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001588782412 1092992412 /nfs/dbraw/zinc/99/24/12/1092992412.db2.gz UKVCTJWIBIMMOF-UHFFFAOYSA-N -1 1 346.420 2.654 20 30 EFEDMM CC(C)[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001589508337 1093098974 /nfs/dbraw/zinc/09/89/74/1093098974.db2.gz ZIMKTACLFAUAEI-VXGBXAGGSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001589508337 1093098984 /nfs/dbraw/zinc/09/89/84/1093098984.db2.gz ZIMKTACLFAUAEI-VXGBXAGGSA-N -1 1 326.408 2.545 20 30 EFEDMM C[C@@H](CC#N)Nc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589788272 1093149070 /nfs/dbraw/zinc/14/90/70/1093149070.db2.gz VXUBWVIZUJIADU-NSHDSACASA-N -1 1 336.403 2.506 20 30 EFEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cccc2ccccc21 ZINC001589986557 1093212228 /nfs/dbraw/zinc/21/22/28/1093212228.db2.gz LJTNVZZTEWLJMQ-NSHDSACASA-N -1 1 342.366 2.855 20 30 EFEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cccc2ccccc21 ZINC001589986557 1093212238 /nfs/dbraw/zinc/21/22/38/1093212238.db2.gz LJTNVZZTEWLJMQ-NSHDSACASA-N -1 1 342.366 2.855 20 30 EFEDMM C[C@@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001590011238 1093220501 /nfs/dbraw/zinc/22/05/01/1093220501.db2.gz RPPNSDRTTPZEQM-SNVBAGLBSA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001590011238 1093220509 /nfs/dbraw/zinc/22/05/09/1093220509.db2.gz RPPNSDRTTPZEQM-SNVBAGLBSA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@@H](c1ccc(Cn2cnc(-c3nn[n-]n3)c2C#N)cc1)C(F)(F)F ZINC001590039989 1093235464 /nfs/dbraw/zinc/23/54/64/1093235464.db2.gz KGWGHBCOLKXDIG-VIFPVBQESA-N -1 1 347.304 2.649 20 30 EFEDMM Cn1ccnc1C(C#N)=C([O-])c1cnn(C(C)(C)C)c1C(F)(F)F ZINC001650441671 1093246690 /nfs/dbraw/zinc/24/66/90/1093246690.db2.gz VMVGPGAPUGGMPH-VIFPVBQESA-N -1 1 339.321 2.880 20 30 EFEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(N)cc1 ZINC001590359333 1093390200 /nfs/dbraw/zinc/39/02/00/1093390200.db2.gz YWUSFJGZOAPALT-UHFFFAOYSA-N -1 1 340.391 2.787 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2cc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001590367852 1093392453 /nfs/dbraw/zinc/39/24/53/1093392453.db2.gz KOYQFLMWBCAMKT-AWEZNQCLSA-N -1 1 349.398 2.863 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2cc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001590367852 1093392460 /nfs/dbraw/zinc/39/24/60/1093392460.db2.gz KOYQFLMWBCAMKT-AWEZNQCLSA-N -1 1 349.398 2.863 20 30 EFEDMM CCC[C@H]1CCCC[C@H]1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590569292 1093494084 /nfs/dbraw/zinc/49/40/84/1093494084.db2.gz KLOYVBSNFOFYOE-RYUDHWBXSA-N -1 1 326.408 2.547 20 30 EFEDMM CCCn1cccc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001590664556 1093538834 /nfs/dbraw/zinc/53/88/34/1093538834.db2.gz YYVWXZUJZCQGPG-UHFFFAOYSA-N -1 1 342.407 2.711 20 30 EFEDMM CCc1cc(C#N)ccc1OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590878685 1093611242 /nfs/dbraw/zinc/61/12/42/1093611242.db2.gz YCWFBTLXIGAHED-UHFFFAOYSA-N -1 1 325.353 2.581 20 30 EFEDMM CCc1cc(C#N)ccc1OC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590878685 1093611244 /nfs/dbraw/zinc/61/12/44/1093611244.db2.gz YCWFBTLXIGAHED-UHFFFAOYSA-N -1 1 325.353 2.581 20 30 EFEDMM COC1(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCC1 ZINC001591337655 1093696921 /nfs/dbraw/zinc/69/69/21/1093696921.db2.gz VNOPVLAMQQPHKJ-UHFFFAOYSA-N -1 1 333.396 2.509 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1cccc(F)c1-c1nn[nH]n1)O2 ZINC001592056076 1093968182 /nfs/dbraw/zinc/96/81/82/1093968182.db2.gz JTDMJYHVIDPACW-AWNIVKPZSA-N -1 1 338.298 2.636 20 30 EFEDMM Cc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)c(-c2nnn[n-]2)n1 ZINC001592184495 1094022624 /nfs/dbraw/zinc/02/26/24/1094022624.db2.gz STQQFHQYBLZNGN-HNNXBMFYSA-N -1 1 331.383 2.931 20 30 EFEDMM Cc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)c(-c2nn[n-]n2)n1 ZINC001592184495 1094022630 /nfs/dbraw/zinc/02/26/30/1094022630.db2.gz STQQFHQYBLZNGN-HNNXBMFYSA-N -1 1 331.383 2.931 20 30 EFEDMM Cc1ccc2ncc(C#N)c(OCc3ccc(-c4nnn[n-]4)o3)c2c1 ZINC001592210036 1094033222 /nfs/dbraw/zinc/03/32/22/1094033222.db2.gz MACIHVKJFIAQEO-UHFFFAOYSA-N -1 1 332.323 2.767 20 30 EFEDMM Cc1ccc2ncc(C#N)c(OCc3ccc(-c4nn[n-]n4)o3)c2c1 ZINC001592210036 1094033229 /nfs/dbraw/zinc/03/32/29/1094033229.db2.gz MACIHVKJFIAQEO-UHFFFAOYSA-N -1 1 332.323 2.767 20 30 EFEDMM Cc1ccc2ncc(C#N)c(OCc3ccnc(-c4nnn[n-]4)c3)c2c1 ZINC001592209845 1094033262 /nfs/dbraw/zinc/03/32/62/1094033262.db2.gz GJECULCLBYHTAS-UHFFFAOYSA-N -1 1 343.350 2.569 20 30 EFEDMM Cc1ccc2ncc(C#N)c(OCc3ccnc(-c4nn[n-]n4)c3)c2c1 ZINC001592209845 1094033267 /nfs/dbraw/zinc/03/32/67/1094033267.db2.gz GJECULCLBYHTAS-UHFFFAOYSA-N -1 1 343.350 2.569 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC2C3CC4CC(C3)CC2C4)o1 ZINC001592338610 1094081827 /nfs/dbraw/zinc/08/18/27/1094081827.db2.gz JXFQYDTYBDWLIU-UHFFFAOYSA-N -1 1 327.392 2.633 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCCc2ccc(F)cc2Cl)o1 ZINC001592338770 1094082308 /nfs/dbraw/zinc/08/23/08/1094082308.db2.gz MONPDHJBCGGJNS-UHFFFAOYSA-N -1 1 335.730 2.596 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(Cl)cc1C#N ZINC001592503294 1094115866 /nfs/dbraw/zinc/11/58/66/1094115866.db2.gz FBBWBFZFBQENMK-UHFFFAOYSA-N -1 1 343.730 2.650 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(Cl)cc1C#N ZINC001592503294 1094115867 /nfs/dbraw/zinc/11/58/67/1094115867.db2.gz FBBWBFZFBQENMK-UHFFFAOYSA-N -1 1 343.730 2.650 20 30 EFEDMM N#Cc1cc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])s1 ZINC001592690222 1094177568 /nfs/dbraw/zinc/17/75/68/1094177568.db2.gz RQPWGRZGIPHJBG-UHFFFAOYSA-N -1 1 332.276 2.639 20 30 EFEDMM N#Cc1cc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])s1 ZINC001592690222 1094177570 /nfs/dbraw/zinc/17/75/70/1094177570.db2.gz RQPWGRZGIPHJBG-UHFFFAOYSA-N -1 1 332.276 2.639 20 30 EFEDMM N#Cc1cc(Cl)ccc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001592688225 1094177888 /nfs/dbraw/zinc/17/78/88/1094177888.db2.gz IZCDHFZBXAGPIC-UHFFFAOYSA-N -1 1 330.710 2.505 20 30 EFEDMM N#Cc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1Cl ZINC001592696178 1094180646 /nfs/dbraw/zinc/18/06/46/1094180646.db2.gz NNPWJYZFWDBXKI-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM N#Cc1cnc(Oc2ccc(F)nc2-c2nn[n-]n2)c2sccc21 ZINC001592704312 1094182803 /nfs/dbraw/zinc/18/28/03/1094182803.db2.gz HIHFYRPFIVHETM-UHFFFAOYSA-N -1 1 339.315 2.674 20 30 EFEDMM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC001592802362 1094192414 /nfs/dbraw/zinc/19/24/14/1094192414.db2.gz CEBCLNLKXAYJTO-PLNGDYQASA-N -1 1 340.412 2.821 20 30 EFEDMM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC001592802362 1094192418 /nfs/dbraw/zinc/19/24/18/1094192418.db2.gz CEBCLNLKXAYJTO-PLNGDYQASA-N -1 1 340.412 2.821 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CCc2ccc(F)cc21 ZINC001593379365 1094302669 /nfs/dbraw/zinc/30/26/69/1094302669.db2.gz DBDSDNRXKSWALW-UITAMQMPSA-N -1 1 327.344 2.675 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)CCc2ccc(F)cc21 ZINC001593379365 1094302674 /nfs/dbraw/zinc/30/26/74/1094302674.db2.gz DBDSDNRXKSWALW-UITAMQMPSA-N -1 1 327.344 2.675 20 30 EFEDMM Cc1cc([C@@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001600148993 1094810710 /nfs/dbraw/zinc/81/07/10/1094810710.db2.gz VOXCRRSYBFBGDR-MRXNPFEDSA-N -1 1 343.314 2.830 20 30 EFEDMM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1C#N ZINC001600416104 1095048577 /nfs/dbraw/zinc/04/85/77/1095048577.db2.gz RILAEZWCEYOMLD-KGLIPLIRSA-N -1 1 326.318 2.952 20 30 EFEDMM Cc1ccccc1-n1cc(CN=Nc2cccc(F)c2C(=O)[O-])nn1 ZINC001600565056 1095168450 /nfs/dbraw/zinc/16/84/50/1095168450.db2.gz GGWSVESFERESHL-UHFFFAOYSA-N -1 1 339.330 2.859 20 30 EFEDMM C=CCOc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782677104 1095401483 /nfs/dbraw/zinc/40/14/83/1095401483.db2.gz OUMKPMUUPSVKGY-UHFFFAOYSA-N -1 1 328.320 2.702 20 30 EFEDMM Cc1sc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)nc1C(=O)[O-] ZINC001600880902 1095403789 /nfs/dbraw/zinc/40/37/89/1095403789.db2.gz BHPSJGRJUULVEO-QWHCGFSZSA-N -1 1 349.456 2.732 20 30 EFEDMM Cc1sc(NC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)c(C#N)c1C ZINC001600886683 1095406808 /nfs/dbraw/zinc/40/68/08/1095406808.db2.gz BZEDSDHCMLZSOM-OAHLLOKOSA-N -1 1 349.456 2.798 20 30 EFEDMM Cc1sc(NC(=O)CN[C@H](C(=O)[O-])C2CCCCC2)c(C#N)c1C ZINC001600886682 1095406970 /nfs/dbraw/zinc/40/69/70/1095406970.db2.gz BZEDSDHCMLZSOM-HNNXBMFYSA-N -1 1 349.456 2.798 20 30 EFEDMM N#CC[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC001601061207 1095486582 /nfs/dbraw/zinc/48/65/82/1095486582.db2.gz RNWRALLOTOSSLT-GFCCVEGCSA-N -1 1 334.335 2.897 20 30 EFEDMM N#Cc1c(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cccc1C(=O)[O-] ZINC001601080913 1095496260 /nfs/dbraw/zinc/49/62/60/1095496260.db2.gz BKHGDBUPLPQKOP-ZWKOTPCHSA-N -1 1 328.412 2.629 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1O ZINC001601093503 1095504387 /nfs/dbraw/zinc/50/43/87/1095504387.db2.gz QXYXZDPLWFKMCS-UHFFFAOYSA-N -1 1 333.303 2.763 20 30 EFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC001601095377 1095506378 /nfs/dbraw/zinc/50/63/78/1095506378.db2.gz PCWOTNOPAUVTOL-FPOVZHCZSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCC3(C2)Oc2ccccc2O3)cc1 ZINC001601095534 1095507253 /nfs/dbraw/zinc/50/72/53/1095507253.db2.gz UBEPYDHKYDOPGL-QGZVFWFLSA-N -1 1 336.347 2.557 20 30 EFEDMM N#Cc1ccc([C@H](NCc2cc(OCC(F)F)ccn2)C(=O)[O-])cc1 ZINC001601096811 1095507974 /nfs/dbraw/zinc/50/79/74/1095507974.db2.gz NAFYBWCLCNZPQM-INIZCTEOSA-N -1 1 347.321 2.513 20 30 EFEDMM N#Cc1ccc(C2(N[C@@H]3CCCn4nc(C(=O)[O-])cc43)CCC2)cc1 ZINC001601097722 1095509802 /nfs/dbraw/zinc/50/98/02/1095509802.db2.gz MCEXZDXFCRQMNK-OAHLLOKOSA-N -1 1 336.395 2.957 20 30 EFEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)c(OC(F)F)c1 ZINC001601101227 1095513334 /nfs/dbraw/zinc/51/33/34/1095513334.db2.gz DBVDILUCXMZLPF-OAHLLOKOSA-N -1 1 348.305 2.781 20 30 EFEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)nc1 ZINC001601101251 1095513609 /nfs/dbraw/zinc/51/36/09/1095513609.db2.gz FRLSAUDIZLXTRO-AWEZNQCLSA-N -1 1 346.184 2.631 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C[C@H]3CCCC[C@H]3C(=O)[O-])CCO2)c1 ZINC001601120179 1095524977 /nfs/dbraw/zinc/52/49/77/1095524977.db2.gz KVQDDHVTYXPXAO-KURKYZTESA-N -1 1 328.412 2.823 20 30 EFEDMM N#Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001601121224 1095525543 /nfs/dbraw/zinc/52/55/43/1095525543.db2.gz FCBKKISPFZJBGW-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM N#Cc1ccccc1NC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC001601125101 1095530139 /nfs/dbraw/zinc/53/01/39/1095530139.db2.gz BDSDXNVGEFRTBI-UHFFFAOYSA-N -1 1 325.368 2.926 20 30 EFEDMM N#Cc1ccccc1NC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001601125929 1095531043 /nfs/dbraw/zinc/53/10/43/1095531043.db2.gz RYWJLSBHDSNFTC-UHFFFAOYSA-N -1 1 336.395 2.728 20 30 EFEDMM C#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000785383271 1096185953 /nfs/dbraw/zinc/18/59/53/1096185953.db2.gz KPMBTFFVRQHWQF-UHFFFAOYSA-N -1 1 349.795 2.931 20 30 EFEDMM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC001602632387 1096333482 /nfs/dbraw/zinc/33/34/82/1096333482.db2.gz VMDBBPMSOZFIPL-OAHLLOKOSA-N -1 1 335.787 2.803 20 30 EFEDMM C#CC[C@@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001602697122 1096353370 /nfs/dbraw/zinc/35/33/70/1096353370.db2.gz KBFKHFNPVUXITK-ZDUSSCGKSA-N -1 1 338.802 2.962 20 30 EFEDMM C#CC[C@@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001602697122 1096353378 /nfs/dbraw/zinc/35/33/78/1096353378.db2.gz KBFKHFNPVUXITK-ZDUSSCGKSA-N -1 1 338.802 2.962 20 30 EFEDMM C=C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccccc1 ZINC001602803519 1096374224 /nfs/dbraw/zinc/37/42/24/1096374224.db2.gz NIOJCGLOTAKVJQ-CYBMUJFWSA-N -1 1 341.758 2.999 20 30 EFEDMM C=CCOc1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cc1 ZINC001602870067 1096390169 /nfs/dbraw/zinc/39/01/69/1096390169.db2.gz IBWRPQJLJZZABD-UHFFFAOYSA-N -1 1 337.387 2.644 20 30 EFEDMM C=CCOc1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc1 ZINC001602870067 1096390176 /nfs/dbraw/zinc/39/01/76/1096390176.db2.gz IBWRPQJLJZZABD-UHFFFAOYSA-N -1 1 337.387 2.644 20 30 EFEDMM CC#CCCCC(=O)N(CCC)c1snc(C)c1-c1nnn[n-]1 ZINC001602891872 1096392715 /nfs/dbraw/zinc/39/27/15/1096392715.db2.gz KLQYDFBNGAAEBN-UHFFFAOYSA-N -1 1 332.433 2.568 20 30 EFEDMM CC#CCCCC(=O)N(CCC)c1snc(C)c1-c1nn[n-]n1 ZINC001602891872 1096392719 /nfs/dbraw/zinc/39/27/19/1096392719.db2.gz KLQYDFBNGAAEBN-UHFFFAOYSA-N -1 1 332.433 2.568 20 30 EFEDMM CC(=O)Nc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001603076668 1096435283 /nfs/dbraw/zinc/43/52/83/1096435283.db2.gz RECHQKQWIXUUES-LJQANCHMSA-N -1 1 349.390 2.701 20 30 EFEDMM C[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001604332698 1096817038 /nfs/dbraw/zinc/81/70/38/1096817038.db2.gz KSQBFEWVIZIOTD-JTQLQIEISA-N -1 1 329.381 2.607 20 30 EFEDMM C[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001604332699 1096817262 /nfs/dbraw/zinc/81/72/62/1096817262.db2.gz KSQBFEWVIZIOTD-SNVBAGLBSA-N -1 1 329.381 2.607 20 30 EFEDMM CCO[C@@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC001604411709 1096845009 /nfs/dbraw/zinc/84/50/09/1096845009.db2.gz DFQLJEVOGLNLGS-LLVKDONJSA-N -1 1 333.396 2.725 20 30 EFEDMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001604638951 1096919918 /nfs/dbraw/zinc/91/99/18/1096919918.db2.gz ZCTKVXFCGLDLOR-VWOREBHZSA-N -1 1 342.439 2.662 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1CC#Cc1cccc(Cl)c1 ZINC001604710197 1096937115 /nfs/dbraw/zinc/93/71/15/1096937115.db2.gz GMFLKYUSDAHQMT-VZEFYGNVSA-N -1 1 333.815 2.787 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1cc(Cl)cc(C#N)c1 ZINC001604711255 1096937939 /nfs/dbraw/zinc/93/79/39/1096937939.db2.gz BNVXCVHZSCIDIJ-XGVBPZLHSA-N -1 1 334.803 2.807 20 30 EFEDMM CO[C@@]1(C)CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC001605017258 1097001797 /nfs/dbraw/zinc/00/17/97/1097001797.db2.gz QSMNKTIKQIBAPB-HNNXBMFYSA-N -1 1 333.396 2.581 20 30 EFEDMM COC1(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCCCC1 ZINC001605016566 1097001911 /nfs/dbraw/zinc/00/19/11/1097001911.db2.gz XBHITMZYNDGIMB-UHFFFAOYSA-N -1 1 333.396 2.725 20 30 EFEDMM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC001605238127 1097064746 /nfs/dbraw/zinc/06/47/46/1097064746.db2.gz CMINRXXAZRSWMR-WEVVVXLNSA-N -1 1 342.355 2.898 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001606019964 1097300301 /nfs/dbraw/zinc/30/03/01/1097300301.db2.gz PHYVIFGGSYZRER-BDAKNGLRSA-N -1 1 343.313 2.930 20 30 EFEDMM FC(F)(F)c1ccccc1ON=Cc1nc(-c2nnn[n-]2)cs1 ZINC001606293185 1097364341 /nfs/dbraw/zinc/36/43/41/1097364341.db2.gz ILFGRVFKVSIWNB-UHFFFAOYSA-N -1 1 340.290 2.755 20 30 EFEDMM FC(F)(F)c1ccccc1ON=Cc1nc(-c2nn[n-]n2)cs1 ZINC001606293185 1097364348 /nfs/dbraw/zinc/36/43/48/1097364348.db2.gz ILFGRVFKVSIWNB-UHFFFAOYSA-N -1 1 340.290 2.755 20 30 EFEDMM CC#Cc1cncc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167938260 1097377141 /nfs/dbraw/zinc/37/71/41/1097377141.db2.gz HRGHNLNABZGRLL-UHFFFAOYSA-N -1 1 328.308 2.538 20 30 EFEDMM N#CC1(CCCCOC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001606342800 1097388656 /nfs/dbraw/zinc/38/86/56/1097388656.db2.gz BVQFRFRVCPDWLQ-UHFFFAOYSA-N -1 1 331.401 2.949 20 30 EFEDMM N#CC1(CCCCOC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001606342800 1097388662 /nfs/dbraw/zinc/38/86/62/1097388662.db2.gz BVQFRFRVCPDWLQ-UHFFFAOYSA-N -1 1 331.401 2.949 20 30 EFEDMM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001607923002 1097778551 /nfs/dbraw/zinc/77/85/51/1097778551.db2.gz JCQUYZDZHSJBAC-UHFFFAOYSA-N -1 1 340.357 2.566 20 30 EFEDMM Cc1oc(C(=O)[O-])cc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC001608037201 1097812513 /nfs/dbraw/zinc/81/25/13/1097812513.db2.gz SBOULHKQJWDRAO-UHFFFAOYSA-N -1 1 340.379 2.953 20 30 EFEDMM N#CC(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)=C(O)C1(c2ccccc2)CC1 ZINC001608170628 1097849573 /nfs/dbraw/zinc/84/95/73/1097849573.db2.gz VBXHTMBKSRKPMB-SQWLQELKSA-N -1 1 339.391 2.887 20 30 EFEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(F)c1 ZINC001608207443 1097862849 /nfs/dbraw/zinc/86/28/49/1097862849.db2.gz IQPQXPBOWLAHEM-QGZVFWFLSA-N -1 1 326.327 2.548 20 30 EFEDMM N#Cc1cccc(C2(NCc3ccc(C(=O)[O-])o3)CCOCC2)c1 ZINC001608217845 1097867334 /nfs/dbraw/zinc/86/73/34/1097867334.db2.gz VZYUCDUBYQYNPW-UHFFFAOYSA-N -1 1 326.352 2.645 20 30 EFEDMM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc([O-])c(Cl)c1 ZINC001609061002 1098126500 /nfs/dbraw/zinc/12/65/00/1098126500.db2.gz VDUYXYJVHYBNPN-UHFFFAOYSA-N -1 1 342.790 2.740 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)ccc2F)o1 ZINC001609081409 1098135365 /nfs/dbraw/zinc/13/53/65/1098135365.db2.gz OACRZGYRHLOXOC-UHFFFAOYSA-N -1 1 347.329 2.876 20 30 EFEDMM C#Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001609190060 1098190025 /nfs/dbraw/zinc/19/00/25/1098190025.db2.gz UTLNHQCKBQIARV-UHFFFAOYSA-N -1 1 335.768 2.820 20 30 EFEDMM CCO[C@@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001609239250 1098217772 /nfs/dbraw/zinc/21/77/72/1098217772.db2.gz CWEQDTOQOCPALM-SNVBAGLBSA-N -1 1 333.396 2.509 20 30 EFEDMM COc1ccc2ccccc2c1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001609360071 1098265286 /nfs/dbraw/zinc/26/52/86/1098265286.db2.gz CUEAELUSLHYNPZ-UHFFFAOYSA-N -1 1 349.354 2.771 20 30 EFEDMM C=CCOC[C@H](NCc1cc(Cl)ccc1Br)C(=O)[O-] ZINC001609452770 1098332554 /nfs/dbraw/zinc/33/25/54/1098332554.db2.gz XCCZWWZPULSCGF-LBPRGKRZSA-N -1 1 348.624 2.848 20 30 EFEDMM Cc1nn(C(C)C)cc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001609458207 1098335559 /nfs/dbraw/zinc/33/55/59/1098335559.db2.gz ZDAUAGWCMMWFCS-UHFFFAOYSA-N -1 1 343.395 2.510 20 30 EFEDMM Fc1ccc(C=NNCCC(F)(F)F)c(Cl)c1-c1nnn[n-]1 ZINC001609490100 1098355919 /nfs/dbraw/zinc/35/59/19/1098355919.db2.gz BRAUCHFUIBXOMX-UHFFFAOYSA-N -1 1 336.680 2.535 20 30 EFEDMM Fc1ccc(C=NNCCC(F)(F)F)c(Cl)c1-c1nn[n-]n1 ZINC001609490100 1098355927 /nfs/dbraw/zinc/35/59/27/1098355927.db2.gz BRAUCHFUIBXOMX-UHFFFAOYSA-N -1 1 336.680 2.535 20 30 EFEDMM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)ccc1[O-] ZINC001269685823 1098358868 /nfs/dbraw/zinc/35/88/68/1098358868.db2.gz FEEYMKWASVNDEI-HUUCEWRRSA-N -1 1 348.830 2.827 20 30 EFEDMM Fc1ccc(NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)nc1 ZINC001609491089 1098359349 /nfs/dbraw/zinc/35/93/49/1098359349.db2.gz CTDKFCYRFACLNM-UHFFFAOYSA-N -1 1 335.705 2.639 20 30 EFEDMM Fc1ccc(NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)nc1 ZINC001609491089 1098359356 /nfs/dbraw/zinc/35/93/56/1098359356.db2.gz CTDKFCYRFACLNM-UHFFFAOYSA-N -1 1 335.705 2.639 20 30 EFEDMM CC(N=Nc1cccc(F)c1C(=O)[O-])c1cnnn1-c1ccccc1 ZINC001609556952 1098379211 /nfs/dbraw/zinc/37/92/11/1098379211.db2.gz WMKRYLGIQMRCNK-UHFFFAOYSA-N -1 1 339.330 2.941 20 30 EFEDMM CC(C)(CCN1CCN(c2ccc(C#N)cc2Cl)CC1)C(=O)[O-] ZINC001609674585 1098423541 /nfs/dbraw/zinc/42/35/41/1098423541.db2.gz QNAOWQZQGMDKRI-UHFFFAOYSA-N -1 1 335.835 2.835 20 30 EFEDMM CCC1CCC(NCc2c(C#N)cccc2[N+](=O)[O-])(C(=O)[O-])CC1 ZINC001609944035 1098501600 /nfs/dbraw/zinc/50/16/00/1098501600.db2.gz ZSBHTONEPYECSB-UHFFFAOYSA-N -1 1 331.372 2.980 20 30 EFEDMM C=CCN1CCC2(CCN(C(=O)c3ccc([O-])cc3Cl)CC2)C1=O ZINC001269983415 1098567108 /nfs/dbraw/zinc/56/71/08/1098567108.db2.gz QAWBBHCOVIYTSX-UHFFFAOYSA-N -1 1 348.830 2.686 20 30 EFEDMM Cc1cc2oc(=O)cc(CN3CCC(C#N)(C(=O)[O-])CC3)c2cc1C ZINC001610480317 1098702511 /nfs/dbraw/zinc/70/25/11/1098702511.db2.gz SNSTVGOKBVMVIA-UHFFFAOYSA-N -1 1 340.379 2.600 20 30 EFEDMM N#CC1(c2ccccn2)CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001610620329 1098788308 /nfs/dbraw/zinc/78/83/08/1098788308.db2.gz LEAIUFSWWZKNAG-QGZVFWFLSA-N -1 1 339.370 2.904 20 30 EFEDMM N#Cc1c(CN2CCN(CCc3ccccc3)CC2)cccc1C(=O)[O-] ZINC001610623538 1098789373 /nfs/dbraw/zinc/78/93/73/1098789373.db2.gz PBZRRJPLONTZRN-UHFFFAOYSA-N -1 1 349.434 2.617 20 30 EFEDMM CNc1ccc(C#N)cc1NC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC001611310659 1098999918 /nfs/dbraw/zinc/99/99/18/1098999918.db2.gz UKBDVXTXMZCUKD-UHFFFAOYSA-N -1 1 348.362 2.702 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1[O-] ZINC000785403028 1099664357 /nfs/dbraw/zinc/66/43/57/1099664357.db2.gz ASEKMFMKPXYPMG-IBGZPJMESA-N -1 1 336.391 2.850 20 30 EFEDMM N#Cc1ccc(CCNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001626685244 1099906543 /nfs/dbraw/zinc/90/65/43/1099906543.db2.gz FUUDDEPSZABUNP-UHFFFAOYSA-N -1 1 347.378 2.814 20 30 EFEDMM N#Cc1ccccc1COc1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001641598194 1101149711 /nfs/dbraw/zinc/14/97/11/1101149711.db2.gz OGVVUIVOTGDMSH-UHFFFAOYSA-N -1 1 334.335 2.818 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1c(F)cccc1Cl ZINC000785410596 1102297267 /nfs/dbraw/zinc/29/72/67/1102297267.db2.gz APYJHYPSLRRVJB-ABKXIKBNSA-N -1 1 348.761 2.908 20 30 EFEDMM COc1ccccc1OCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000075536212 1102549420 /nfs/dbraw/zinc/54/94/20/1102549420.db2.gz SOZKBTMYANMNQO-UHFFFAOYSA-N -1 1 330.266 2.889 20 30 EFEDMM CCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1F ZINC000799791055 1102725511 /nfs/dbraw/zinc/72/55/11/1102725511.db2.gz RTOPGZVSESGTMP-OAHLLOKOSA-N -1 1 345.436 2.930 20 30 EFEDMM CC(C)[C@H](C#N)c1ccc(NC(=N)SCCS(=O)(=O)[O-])cc1 ZINC001168093910 1103159754 /nfs/dbraw/zinc/15/97/54/1103159754.db2.gz SKWSSQYWSGUMFB-ZDUSSCGKSA-N -1 1 341.458 2.917 20 30 EFEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1nc2ccccc2s1 ZINC001662118829 1103592281 /nfs/dbraw/zinc/59/22/81/1103592281.db2.gz HFHVOBZTUZMGSJ-SNVBAGLBSA-N -1 1 347.421 2.843 20 30 EFEDMM N#Cc1ccc(C(=O)NCCSCc2ccnc(Cl)c2)cc1[O-] ZINC000785413682 1103922708 /nfs/dbraw/zinc/92/27/08/1103922708.db2.gz LXDVFHXZCZORMQ-UHFFFAOYSA-N -1 1 347.827 2.975 20 30 EFEDMM COc1cc(OC)nc(C(=O)[N-]c2ccccc2SCCC#N)n1 ZINC000906617333 1104351556 /nfs/dbraw/zinc/35/15/56/1104351556.db2.gz QLGPAKMVTXZJGP-UHFFFAOYSA-N -1 1 344.396 2.752 20 30 EFEDMM C=CCN1CC[C@@]2(CCCN(C(=O)c3cccc([O-])c3F)CC2)C1=O ZINC001272282763 1107470824 /nfs/dbraw/zinc/47/08/24/1107470824.db2.gz JXDMCXSDYPHQSY-IBGZPJMESA-N -1 1 346.402 2.562 20 30 EFEDMM C=CCN1CC2(CCC1=O)CCN(C(=O)c1cccc([O-])c1F)CC2 ZINC001272282875 1107477987 /nfs/dbraw/zinc/47/79/87/1107477987.db2.gz LZIRJLUORGZGMX-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM CO[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000904181258 1107674330 /nfs/dbraw/zinc/67/43/30/1107674330.db2.gz RUPADJZTUUCTPT-ZDUSSCGKSA-N -1 1 344.198 2.832 20 30 EFEDMM C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])cc1F)CC2 ZINC001272223696 1108016522 /nfs/dbraw/zinc/01/65/22/1108016522.db2.gz AEVPZMCRAQSOJZ-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C=CCN1CC[C@@]2(CCCN(C(=O)c3ccc(F)c([O-])c3)CC2)C1=O ZINC001272227424 1108439124 /nfs/dbraw/zinc/43/91/24/1108439124.db2.gz NYWDGEVIXGWMKF-IBGZPJMESA-N -1 1 346.402 2.562 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CCSc3ccccc32)c2ccccc21 ZINC000914599552 1111283191 /nfs/dbraw/zinc/28/31/91/1111283191.db2.gz FTDUXZGESOFVHB-UHFFFAOYSA-N -1 1 343.433 2.625 20 30 EFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000914600368 1111283846 /nfs/dbraw/zinc/28/38/46/1111283846.db2.gz SCWFVYODDNYXBX-UHFFFAOYSA-N -1 1 331.372 2.679 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001272616644 1111749575 /nfs/dbraw/zinc/74/95/75/1111749575.db2.gz MUJYGTJIAOSDHH-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM CC[C@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000781142574 1117872465 /nfs/dbraw/zinc/87/24/65/1117872465.db2.gz ZMTPALABNFCAOK-OAHLLOKOSA-N -1 1 344.392 2.946 20 30 EFEDMM CCCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC 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30 EFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)SCC(=O)N3)n1 ZINC000355119132 242021193 /nfs/dbraw/zinc/02/11/93/242021193.db2.gz LAVZQBINBMMAMG-SNVBAGLBSA-N -1 1 329.406 2.986 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(OC)c2)n1 ZINC000357780766 242105480 /nfs/dbraw/zinc/10/54/80/242105480.db2.gz QDBJWTXDEGXTEA-JTQLQIEISA-N -1 1 348.355 2.958 20 30 EFEDMM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000357810817 242106345 /nfs/dbraw/zinc/10/63/45/242106345.db2.gz QPAKSBREQATUGY-NSHDSACASA-N -1 1 337.305 2.651 20 30 EFEDMM N#CC1(F)CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000359367058 242148345 /nfs/dbraw/zinc/14/83/45/242148345.db2.gz YVDJMLAWFRQCJF-UHFFFAOYSA-N -1 1 327.153 2.623 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000360183673 242188142 /nfs/dbraw/zinc/18/81/42/242188142.db2.gz MHCUZVQYSMUVCX-NSHDSACASA-N -1 1 340.455 2.733 20 30 EFEDMM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1cnc2ccccc2n1 ZINC000361528990 242224469 /nfs/dbraw/zinc/22/44/69/242224469.db2.gz WVKWFOXPSZGRIT-CQSZACIVSA-N -1 1 340.346 2.701 20 30 EFEDMM C[C@@H](C(=O)OC(C)(C)C)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000412505662 243344181 /nfs/dbraw/zinc/34/41/81/243344181.db2.gz KFGJKGVIRXAMNF-NSHDSACASA-N -1 1 330.384 2.599 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)s3)[nH]n2)o1 ZINC000435503851 248247223 /nfs/dbraw/zinc/24/72/23/248247223.db2.gz DSXUEYTVXWWZCN-UHFFFAOYSA-N -1 1 334.382 2.712 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cn1 ZINC000442238194 250073963 /nfs/dbraw/zinc/07/39/63/250073963.db2.gz QFOHYVYSOHGMHJ-UHFFFAOYSA-N -1 1 329.715 2.686 20 30 EFEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000497195066 269702355 /nfs/dbraw/zinc/70/23/55/269702355.db2.gz SNSQEWOPISFSCH-UHFFFAOYSA-N -1 1 345.380 2.846 20 30 EFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451491487 251582627 /nfs/dbraw/zinc/58/26/27/251582627.db2.gz FHIVSEXNVNFROX-BDJLRTHQSA-N -1 1 339.388 2.831 20 30 EFEDMM C#C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000366990391 533322785 /nfs/dbraw/zinc/32/27/85/533322785.db2.gz NRSDVQSCPDVSJQ-KRWDZBQOSA-N -1 1 328.412 2.654 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCC2)o1 ZINC000344714790 142066126 /nfs/dbraw/zinc/06/61/26/142066126.db2.gz GAXBBGYDOBXHHM-UHFFFAOYSA-N -1 1 338.335 2.787 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)o1 ZINC000344737484 142070436 /nfs/dbraw/zinc/07/04/36/142070436.db2.gz FLLOJORZVZSRKS-UHFFFAOYSA-N -1 1 337.209 2.998 20 30 EFEDMM CC(C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000346449654 142206140 /nfs/dbraw/zinc/20/61/40/142206140.db2.gz OJVVBPCYEYAJMU-UHFFFAOYSA-N -1 1 349.225 2.784 20 30 EFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000352240620 142452286 /nfs/dbraw/zinc/45/22/86/142452286.db2.gz COFBVZZRAXNYBC-ZDUSSCGKSA-N -1 1 347.362 2.743 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)o1 ZINC000342454692 145129611 /nfs/dbraw/zinc/12/96/11/145129611.db2.gz VPZLPNAXPNMIRG-UHFFFAOYSA-N -1 1 334.401 2.798 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cn1 ZINC000343990010 145339891 /nfs/dbraw/zinc/33/98/91/145339891.db2.gz AFCCUMONMFLWDB-ZDUSSCGKSA-N -1 1 347.362 2.743 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)o1 ZINC000344228734 145396819 /nfs/dbraw/zinc/39/68/19/145396819.db2.gz WZXMQKYGMHBEED-UHFFFAOYSA-N -1 1 340.401 2.751 20 30 EFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@](C)(C(F)(F)F)O1 ZINC000356372152 147226629 /nfs/dbraw/zinc/22/66/29/147226629.db2.gz XUUXZMSUHFIFGM-HNNXBMFYSA-N -1 1 342.317 2.836 20 30 EFEDMM Cc1nc(-c2ccc(NCCc3cccc(C#N)c3)nc2)[n-]c(=O)c1C ZINC000359933825 148227591 /nfs/dbraw/zinc/22/75/91/148227591.db2.gz QYFSKMVEOLLUCF-UHFFFAOYSA-N -1 1 345.406 2.809 20 30 EFEDMM N#Cc1cccc([C@H]2CN(C(=O)c3cc(F)ccc3[O-])CCO2)c1 ZINC000378298561 152050891 /nfs/dbraw/zinc/05/08/91/152050891.db2.gz GURVOPMUYWRVBN-QGZVFWFLSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(F)ccc3[O-])CCO2)c1 ZINC000378298560 152050978 /nfs/dbraw/zinc/05/09/78/152050978.db2.gz GURVOPMUYWRVBN-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C ZINC000179028703 544909787 /nfs/dbraw/zinc/90/97/87/544909787.db2.gz RWNAKSYBBZOAIE-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188605972 265142444 /nfs/dbraw/zinc/14/24/44/265142444.db2.gz OEWSDRKMSVTKNV-UHFFFAOYSA-N -1 1 332.400 2.894 20 30 EFEDMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188603831 265142730 /nfs/dbraw/zinc/14/27/30/265142730.db2.gz GPLAYSDLPFXQPU-FNODVLLQSA-N -1 1 342.420 2.834 20 30 EFEDMM CC(C)(CO)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188707992 265149252 /nfs/dbraw/zinc/14/92/52/265149252.db2.gz ZIYRPJVKDYGLOO-QGZVFWFLSA-N -1 1 338.407 2.796 20 30 EFEDMM C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000188731533 265151753 /nfs/dbraw/zinc/15/17/53/265151753.db2.gz 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CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000126844106 473551578 /nfs/dbraw/zinc/55/15/78/473551578.db2.gz UWPSGDNKEOUAEN-UHFFFAOYSA-N -1 1 339.417 2.756 20 30 EFEDMM C=CCCOCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127167119 473582953 /nfs/dbraw/zinc/58/29/53/473582953.db2.gz YQZBIHSNJAIQIU-UHFFFAOYSA-N -1 1 346.427 2.589 20 30 EFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1C ZINC000179025396 473614592 /nfs/dbraw/zinc/61/45/92/473614592.db2.gz UNIAZRBEMHQNKF-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1C ZINC000179028672 473615200 /nfs/dbraw/zinc/61/52/00/473615200.db2.gz SSJXJDCMRJLOPN-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000192731906 473716101 /nfs/dbraw/zinc/71/61/01/473716101.db2.gz DQBUQEYRACOPKK-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000179770094 473723358 /nfs/dbraw/zinc/72/33/58/473723358.db2.gz 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CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000187556142 473884753 /nfs/dbraw/zinc/88/47/53/473884753.db2.gz IRBKYCSPYGSDFU-LLVKDONJSA-N -1 1 340.339 2.790 20 30 EFEDMM C=CCn1c(C)cc(C(=O)CSc2nc(C(=O)OC)c[n-]2)c1C ZINC000187594642 473890199 /nfs/dbraw/zinc/89/01/99/473890199.db2.gz YHURUUZPCDZGJC-UHFFFAOYSA-N -1 1 333.413 2.776 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cccc(OCC(F)F)c2)cc1[O-] ZINC000187960932 473947894 /nfs/dbraw/zinc/94/78/94/473947894.db2.gz YUQNFLHGJGLLDF-UHFFFAOYSA-N -1 1 332.306 2.838 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1[O-] ZINC000188227993 474026453 /nfs/dbraw/zinc/02/64/53/474026453.db2.gz NKOYDZIZXNTZAO-UHFFFAOYSA-N -1 1 349.390 2.755 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1[O-] ZINC000188239567 474029910 /nfs/dbraw/zinc/02/99/10/474029910.db2.gz ZGGCSAUXEANNSH-INIZCTEOSA-N -1 1 349.390 2.755 20 30 EFEDMM COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188636694 474149783 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N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cc1[O-] ZINC000189069649 474281090 /nfs/dbraw/zinc/28/10/90/474281090.db2.gz YILKEURZRLIMIO-OAHLLOKOSA-N -1 1 339.370 2.802 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1nc(Br)ccc1[O-])OCC ZINC000275793076 474320915 /nfs/dbraw/zinc/32/09/15/474320915.db2.gz GRRIFBRTQZBPNK-JTQLQIEISA-N -1 1 329.194 2.860 20 30 EFEDMM CCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)CCO2 ZINC000189222741 474330222 /nfs/dbraw/zinc/33/02/22/474330222.db2.gz NBDALOXRYRBNFM-MRXNPFEDSA-N -1 1 338.363 2.916 20 30 EFEDMM C#CC(C)(C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271210421 474441972 /nfs/dbraw/zinc/44/19/72/474441972.db2.gz AYHNNEICDTVIKZ-UHFFFAOYSA-N -1 1 344.289 2.645 20 30 EFEDMM CN(C)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1Cl ZINC000189876307 474498674 /nfs/dbraw/zinc/49/86/74/474498674.db2.gz CGVJLXMVXNDFMH-INIZCTEOSA-N -1 1 343.814 2.950 20 30 EFEDMM C=CCOc1cc(OC)ccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000184528070 474539209 /nfs/dbraw/zinc/53/92/09/474539209.db2.gz LRASRRPDBDOXLW-UHFFFAOYSA-N -1 1 342.277 2.649 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2ccccc2Br)cc1[O-] ZINC000190128678 474552092 /nfs/dbraw/zinc/55/20/92/474552092.db2.gz QFSSTWWYJUJSNZ-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000266990771 474558002 /nfs/dbraw/zinc/55/80/02/474558002.db2.gz VFIUBFDTDPDCRD-VIFPVBQESA-N -1 1 328.397 2.575 20 30 EFEDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C#N)cc2)c1OC ZINC000277120678 474578563 /nfs/dbraw/zinc/57/85/63/474578563.db2.gz AWPONVPWGJYMJH-INIZCTEOSA-N -1 1 340.379 2.881 20 30 EFEDMM COc1c([O-])c(CN(CCC#N)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000278296931 474606904 /nfs/dbraw/zinc/60/69/04/474606904.db2.gz VKMQGCLIPXQZBS-UHFFFAOYSA-N -1 1 331.328 2.818 20 30 EFEDMM C#CCCN1CC[C@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000272459769 474611437 /nfs/dbraw/zinc/61/14/37/474611437.db2.gz DGTCYKQLZQXAPA-CABCVRRESA-N -1 1 342.336 2.685 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3cccc(F)c3F)CC2)c1 ZINC000617168441 480119052 /nfs/dbraw/zinc/11/90/52/480119052.db2.gz BJWKSCGIDUBYRQ-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM COC(=O)c1nn(C)c(C)c1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000291869533 474726509 /nfs/dbraw/zinc/72/65/09/474726509.db2.gz HFPRSMHSLBOIGO-VOTSOKGWSA-N -1 1 328.368 2.734 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000344680505 474778975 /nfs/dbraw/zinc/77/89/75/474778975.db2.gz BNAGVQWRDZFVBD-NSHDSACASA-N -1 1 347.371 2.725 20 30 EFEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000344755086 474788871 /nfs/dbraw/zinc/78/88/71/474788871.db2.gz BPCGSCNYUJCAJH-CQSZACIVSA-N -1 1 343.408 2.519 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000317890502 474889360 /nfs/dbraw/zinc/88/93/60/474889360.db2.gz BKEUKMCRLBYBEB-UHFFFAOYSA-N -1 1 337.744 2.921 20 30 EFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000321272729 474923047 /nfs/dbraw/zinc/92/30/47/474923047.db2.gz VMJBVJACTOSHGQ-QMMMGPOBSA-N -1 1 342.219 2.738 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1C#N ZINC000323022187 474943732 /nfs/dbraw/zinc/94/37/32/474943732.db2.gz RSUWVDVFYRLPNH-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM N#Cc1ccccc1OCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339125388 474951540 /nfs/dbraw/zinc/95/15/40/474951540.db2.gz ZOJCTJPBIRMBSV-UHFFFAOYSA-N -1 1 334.335 2.671 20 30 EFEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000341189506 475025540 /nfs/dbraw/zinc/02/55/40/475025540.db2.gz MCVFMZOCMFCGHL-ZETCQYMHSA-N -1 1 330.258 2.518 20 30 EFEDMM C=CCC(C)(C)CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000293694922 475048923 /nfs/dbraw/zinc/04/89/23/475048923.db2.gz CPWCRFOAYQGKNJ-UHFFFAOYSA-N -1 1 340.427 2.814 20 30 EFEDMM C=C(CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000286790208 475081627 /nfs/dbraw/zinc/08/16/27/475081627.db2.gz RTVIEUZLWCZUBE-UHFFFAOYSA-N -1 1 343.452 2.975 20 30 EFEDMM N#C[C@@]1(C(=O)Nc2nc(Br)ccc2[O-])CC12CCCC2 ZINC000295292597 475117454 /nfs/dbraw/zinc/11/74/54/475117454.db2.gz JNTIZRNRPCXSMQ-CQSZACIVSA-N -1 1 336.189 2.962 20 30 EFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000329752068 475126744 /nfs/dbraw/zinc/12/67/44/475126744.db2.gz JGNJMAILMWZWBZ-KZULUSFZSA-N -1 1 342.399 2.619 20 30 EFEDMM CC[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3nnnn3C)c2)CC([O-])=N1 ZINC000329762054 475127180 /nfs/dbraw/zinc/12/71/80/475127180.db2.gz SFVNGRCTHGVOEM-VXGBXAGGSA-N -1 1 328.376 2.610 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)cc1[O-] ZINC000337569426 475136935 /nfs/dbraw/zinc/13/69/35/475136935.db2.gz RZIPKIVNNUHESF-UHFFFAOYSA-N -1 1 347.418 2.931 20 30 EFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cccc([O-])c1Cl ZINC000339351111 475154624 /nfs/dbraw/zinc/15/46/24/475154624.db2.gz MVNXCPOFLDEPTJ-UHFFFAOYSA-N -1 1 339.786 2.840 20 30 EFEDMM N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000347397655 475295393 /nfs/dbraw/zinc/29/53/93/475295393.db2.gz OWRWGZYOYGDQNQ-UHFFFAOYSA-N -1 1 341.348 2.539 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OC(F)(F)F ZINC000337772926 475311589 /nfs/dbraw/zinc/31/15/89/475311589.db2.gz ITUUQXGPKTUWIT-UHFFFAOYSA-N -1 1 340.217 2.945 20 30 EFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000331422659 475347161 /nfs/dbraw/zinc/34/71/61/475347161.db2.gz FHWGTCUWEFYGRS-MGPLVRAMSA-N -1 1 334.445 2.595 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000345673207 475355023 /nfs/dbraw/zinc/35/50/23/475355023.db2.gz FMCUEJBCBJROHZ-UHFFFAOYSA-N -1 1 332.429 2.979 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(F)(F)F ZINC000341893603 475389952 /nfs/dbraw/zinc/38/99/52/475389952.db2.gz CUIFRHZXTDNXPP-ZCFIWIBFSA-N -1 1 346.252 2.806 20 30 EFEDMM N#C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(Br)c1 ZINC000339817798 475531029 /nfs/dbraw/zinc/53/10/29/475531029.db2.gz FDRLBAFZUPLVKI-ZDUSSCGKSA-N -1 1 332.157 2.544 20 30 EFEDMM CC(C)c1nc(C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)no1 ZINC000358502565 475730367 /nfs/dbraw/zinc/73/03/67/475730367.db2.gz VZSDOLAVTUPCFQ-UHFFFAOYSA-N -1 1 340.383 2.790 20 30 EFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000349120494 475906140 /nfs/dbraw/zinc/90/61/40/475906140.db2.gz HXTKIYLCYUJDOS-UHFFFAOYSA-N -1 1 333.365 2.781 20 30 EFEDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000358800680 475949058 /nfs/dbraw/zinc/94/90/58/475949058.db2.gz OKEWARVUVOHYCG-UHFFFAOYSA-N -1 1 326.381 2.852 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2c[nH]nc2cc1C ZINC000358799828 475949702 /nfs/dbraw/zinc/94/97/02/475949702.db2.gz KRUPORHJUKSPAE-UHFFFAOYSA-N -1 1 326.381 2.852 20 30 EFEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000340330870 475952090 /nfs/dbraw/zinc/95/20/90/475952090.db2.gz UZDISVFSXAZZOL-UHFFFAOYSA-N -1 1 330.363 2.830 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2c(F)cccc2N2CCCC2)cc1[O-] ZINC000358822957 475967184 /nfs/dbraw/zinc/96/71/84/475967184.db2.gz FXGLNCZBIBQCCC-UHFFFAOYSA-N -1 1 339.370 2.933 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(N(C)C)c2)n1 ZINC000338581101 476026084 /nfs/dbraw/zinc/02/60/84/476026084.db2.gz QPOHIBVSBCOQEY-ZDUSSCGKSA-N -1 1 343.408 2.876 20 30 EFEDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000336875420 476159373 /nfs/dbraw/zinc/15/93/73/476159373.db2.gz GMGSWSYGSZMKLI-UHFFFAOYSA-N -1 1 331.353 2.830 20 30 EFEDMM C[C@@H](CC#N)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000353775672 476265958 /nfs/dbraw/zinc/26/59/58/476265958.db2.gz FTVFUMYMAFGQSY-QMMMGPOBSA-N -1 1 334.173 2.735 20 30 EFEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000353943682 476331857 /nfs/dbraw/zinc/33/18/57/476331857.db2.gz NPDVDFPPJGOJBW-UHFFFAOYSA-N -1 1 342.420 2.631 20 30 EFEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000351263656 476386408 /nfs/dbraw/zinc/38/64/08/476386408.db2.gz RHZTVVXZEDZTOO-LBPRGKRZSA-N -1 1 336.841 2.793 20 30 EFEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)ccc2O1 ZINC000357493622 476414918 /nfs/dbraw/zinc/41/49/18/476414918.db2.gz XTGOALLYWAVBDQ-SNVBAGLBSA-N -1 1 332.356 2.822 20 30 EFEDMM N#CC1(c2ccccn2)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000374308618 476468530 /nfs/dbraw/zinc/46/85/30/476468530.db2.gz FPYNLDCVCLZCID-UHFFFAOYSA-N -1 1 325.343 2.624 20 30 EFEDMM N#CC1(c2ccccn2)CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000374382624 476476868 /nfs/dbraw/zinc/47/68/68/476476868.db2.gz AVFOSVWSIJINHX-UHFFFAOYSA-N -1 1 325.343 2.624 20 30 EFEDMM Cc1cccc2nc(C(C#N)=C([O-])c3ncn(-c4ccccc4)n3)[nH]c21 ZINC000352124064 476525791 /nfs/dbraw/zinc/52/57/91/476525791.db2.gz VGMWXOSORALHLF-AWEZNQCLSA-N -1 1 342.362 2.942 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Br)cn1 ZINC000357750838 476577691 /nfs/dbraw/zinc/57/76/91/476577691.db2.gz WXALASIOXURSRQ-VIFPVBQESA-N -1 1 346.184 2.912 20 30 EFEDMM N#CC(=C([O-])c1cc(Br)cc([N+](=O)[O-])c1)c1ccncn1 ZINC000354461846 476675027 /nfs/dbraw/zinc/67/50/27/476675027.db2.gz GQIJQOUCELPUPV-NSHDSACASA-N -1 1 347.128 2.637 20 30 EFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)OCC ZINC000451982064 476759864 /nfs/dbraw/zinc/75/98/64/476759864.db2.gz BIBQZCOOXURFFK-SNVBAGLBSA-N -1 1 337.850 2.578 20 30 EFEDMM Cc1cc(C#N)cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000456961915 476806448 /nfs/dbraw/zinc/80/64/48/476806448.db2.gz ISQUUWMPWZHFKW-UHFFFAOYSA-N -1 1 349.394 2.803 20 30 EFEDMM C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1ccc(C#N)o1)C1CC1 ZINC000452110525 476831387 /nfs/dbraw/zinc/83/13/87/476831387.db2.gz ZHLZPCCZWSARQF-QGZVFWFLSA-N -1 1 330.409 2.841 20 30 EFEDMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000415646478 476948350 /nfs/dbraw/zinc/94/83/50/476948350.db2.gz KSOUOMGOLVTJJN-UHFFFAOYSA-N -1 1 344.346 2.513 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000408515673 476958367 /nfs/dbraw/zinc/95/83/67/476958367.db2.gz UQRHUDHECFAEEN-UHFFFAOYSA-N -1 1 335.360 2.548 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C#N)cc2F)[n-]c1=O ZINC000432698921 477251111 /nfs/dbraw/zinc/25/11/11/477251111.db2.gz LPBYLBYAMMBKLF-POHAHGRESA-N -1 1 327.315 2.930 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435722175 477358360 /nfs/dbraw/zinc/35/83/60/477358360.db2.gz LZWXPFVCTLVLDP-UHFFFAOYSA-N -1 1 340.408 2.971 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)ccc1C#N ZINC000435731589 477361062 /nfs/dbraw/zinc/36/10/62/477361062.db2.gz MAPUHUXRLFLJAX-QFIPXVFZSA-N -1 1 348.449 2.546 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)ccc1C#N ZINC000435731588 477361349 /nfs/dbraw/zinc/36/13/49/477361349.db2.gz MAPUHUXRLFLJAX-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000416934423 477376035 /nfs/dbraw/zinc/37/60/35/477376035.db2.gz DOWPJPNNAJPLTN-MRXNPFEDSA-N -1 1 340.445 2.672 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000416949628 477382232 /nfs/dbraw/zinc/38/22/32/477382232.db2.gz DGZFZFZYCHGSQX-AWEZNQCLSA-N -1 1 337.445 2.519 20 30 EFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)nc1 ZINC000436872100 477622132 /nfs/dbraw/zinc/62/21/32/477622132.db2.gz SFXFBMBHYPXIAM-CYBMUJFWSA-N -1 1 343.770 2.606 20 30 EFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000437489725 477711320 /nfs/dbraw/zinc/71/13/20/477711320.db2.gz JDLUNOHXOULDMY-SMDDNHRTSA-N -1 1 340.217 2.866 20 30 EFEDMM N#C[C@@]1([N-]S(=O)(=O)c2sccc2F)CCc2ccccc2C1 ZINC000450998144 477787626 /nfs/dbraw/zinc/78/76/26/477787626.db2.gz LCJZZWGKTGFAPF-OAHLLOKOSA-N -1 1 336.413 2.617 20 30 EFEDMM N#CCc1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c(Cl)c1 ZINC000451012414 477791365 /nfs/dbraw/zinc/79/13/65/477791365.db2.gz GELROJNROVOUIX-UHFFFAOYSA-N -1 1 344.717 2.585 20 30 EFEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451027594 477794625 /nfs/dbraw/zinc/79/46/25/477794625.db2.gz NQYOAMLJHCTHPO-CQSZACIVSA-N -1 1 342.417 2.886 20 30 EFEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)F ZINC000451088997 477816891 /nfs/dbraw/zinc/81/68/91/477816891.db2.gz ZMWAMYNZCQNGEW-SECBINFHSA-N -1 1 342.289 2.899 20 30 EFEDMM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000451184813 477865928 /nfs/dbraw/zinc/86/59/28/477865928.db2.gz NPXVSXCNLJDCOX-BLVKFPJESA-N -1 1 341.411 2.943 20 30 EFEDMM Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(F)c3[O-])CC2)o1 ZINC000530004738 477873142 /nfs/dbraw/zinc/87/31/42/477873142.db2.gz FWQJJADCYNBRSC-UHFFFAOYSA-N -1 1 344.346 2.555 20 30 EFEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(F)c1[O-] ZINC000530007634 477873430 /nfs/dbraw/zinc/87/34/30/477873430.db2.gz ZLRDGESQPDNKKJ-UHFFFAOYSA-N -1 1 330.363 2.830 20 30 EFEDMM N#Cc1cnc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c(Cl)c1 ZINC000439248346 477948004 /nfs/dbraw/zinc/94/80/04/477948004.db2.gz QFUVXEVMYJYJDX-UHFFFAOYSA-N -1 1 342.771 2.772 20 30 EFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)C2CC2)c([O-])c1 ZINC000494473442 477994770 /nfs/dbraw/zinc/99/47/70/477994770.db2.gz VASUAEFAUJYQJQ-ZDUSSCGKSA-N -1 1 331.372 2.771 20 30 EFEDMM CCC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000451686270 478156254 /nfs/dbraw/zinc/15/62/54/478156254.db2.gz FDZVGXGGVAVGLU-UHFFFAOYSA-N -1 1 347.209 2.681 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000581112900 478373639 /nfs/dbraw/zinc/37/36/39/478373639.db2.gz XFBDDVUFFICCRX-SKDRFNHKSA-N -1 1 326.190 2.993 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC2(Cc3ccccc3)CCOCC2)c1 ZINC000590885090 478384935 /nfs/dbraw/zinc/38/49/35/478384935.db2.gz WKUZVCBVWWGBKI-UHFFFAOYSA-N -1 1 336.391 2.786 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000597604097 478428532 /nfs/dbraw/zinc/42/85/32/478428532.db2.gz JZVCEFINMVCUHX-RCCFBDPRSA-N -1 1 328.412 2.810 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1[O-] ZINC000597604101 478429496 /nfs/dbraw/zinc/42/94/96/478429496.db2.gz KAKSXCKXKQAXBK-ZACQAIPSSA-N -1 1 328.412 2.810 20 30 EFEDMM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000495971474 478446742 /nfs/dbraw/zinc/44/67/42/478446742.db2.gz RFUZRBTZVZGQLV-GFCCVEGCSA-N -1 1 347.415 2.687 20 30 EFEDMM C#C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1F ZINC000491179777 478461533 /nfs/dbraw/zinc/46/15/33/478461533.db2.gz HORGTKDUFNUBPG-HNNXBMFYSA-N -1 1 331.730 2.858 20 30 EFEDMM C#C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1F ZINC000491179778 478461906 /nfs/dbraw/zinc/46/19/06/478461906.db2.gz HORGTKDUFNUBPG-OAHLLOKOSA-N -1 1 331.730 2.858 20 30 EFEDMM C#C[C@@H](C)N(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000491243658 478484587 /nfs/dbraw/zinc/48/45/87/478484587.db2.gz YDVNBKFUVKDJIX-SECBINFHSA-N -1 1 333.185 2.797 20 30 EFEDMM C#CCN(CC)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000491295042 478500827 /nfs/dbraw/zinc/50/08/27/478500827.db2.gz FLUINNAWMWOQNY-UHFFFAOYSA-N -1 1 341.333 2.661 20 30 EFEDMM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC(F)(F)F ZINC000594727583 478517748 /nfs/dbraw/zinc/51/77/48/478517748.db2.gz QPKKNTRPOJIOKP-UHFFFAOYSA-N -1 1 334.344 2.922 20 30 EFEDMM CC(C)(CO)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccs1 ZINC000597846501 478536954 /nfs/dbraw/zinc/53/69/54/478536954.db2.gz PUYSCRRJYOMMCW-HNNXBMFYSA-N -1 1 330.409 2.815 20 30 EFEDMM C#C[C@H](C)N(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000491451898 478551141 /nfs/dbraw/zinc/55/11/41/478551141.db2.gz IEWSLUJQFJVRQH-VIFPVBQESA-N -1 1 344.289 2.597 20 30 EFEDMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000591539768 478577363 /nfs/dbraw/zinc/57/73/63/478577363.db2.gz UPFGIVWFFKQAGW-IUODEOHRSA-N -1 1 344.411 2.704 20 30 EFEDMM C#CCn1ccc(CN(CC)C(=O)c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000491553941 478586232 /nfs/dbraw/zinc/58/62/32/478586232.db2.gz DYOBQOXAKUBHOE-UHFFFAOYSA-N -1 1 347.802 2.546 20 30 EFEDMM C#C[C@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccc(Cl)cc1 ZINC000491627924 478604709 /nfs/dbraw/zinc/60/47/09/478604709.db2.gz NYFQSSZRZHPXBK-LBPRGKRZSA-N -1 1 347.827 2.970 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)cc1[O-] ZINC000571552291 478623199 /nfs/dbraw/zinc/62/31/99/478623199.db2.gz JARRJHFKDWDNJN-KRWDZBQOSA-N -1 1 326.396 2.685 20 30 EFEDMM CN(CCCN(C)C(=O)c1ccc(C#N)c([O-])c1)C(=O)OC(C)(C)C ZINC000496355154 478650005 /nfs/dbraw/zinc/65/00/05/478650005.db2.gz DECDSCOYMRUEPY-UHFFFAOYSA-N -1 1 347.415 2.593 20 30 EFEDMM C#C[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000491766232 478668008 /nfs/dbraw/zinc/66/80/08/478668008.db2.gz FAADSHXJNSJURT-AWEZNQCLSA-N -1 1 342.420 2.581 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)cc1[O-] ZINC000571848169 478688216 /nfs/dbraw/zinc/68/82/16/478688216.db2.gz OWFCWZSVIDGCLY-FQEVSTJZSA-N -1 1 334.375 2.874 20 30 EFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592052870 478756618 /nfs/dbraw/zinc/75/66/18/478756618.db2.gz ZYJXQHYMGXWBMF-UHFFFAOYSA-N -1 1 335.351 2.709 20 30 EFEDMM CC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000592101132 478775787 /nfs/dbraw/zinc/77/57/87/478775787.db2.gz VZJKTPDABOZNCR-ZDUSSCGKSA-N -1 1 344.477 2.500 20 30 EFEDMM N#C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)C1CCCCC1 ZINC000592382431 478874702 /nfs/dbraw/zinc/87/47/02/478874702.db2.gz NFVCVDIPSDTPAU-GFCCVEGCSA-N -1 1 347.362 2.851 20 30 EFEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592382051 478874771 /nfs/dbraw/zinc/87/47/71/478874771.db2.gz FEOINHHYRZKVHC-LBPRGKRZSA-N -1 1 335.351 2.707 20 30 EFEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)NC(=O)OC(C)(C)C ZINC000492279022 478907364 /nfs/dbraw/zinc/90/73/64/478907364.db2.gz UAXVKEHRJZCORJ-CQSZACIVSA-N -1 1 347.415 2.543 20 30 EFEDMM N#CCCn1cc(C=CC(=O)Nc2ccncc2[O-])c2ccccc21 ZINC000492311612 478924291 /nfs/dbraw/zinc/92/42/91/478924291.db2.gz IHYWTOWKSMLNFZ-SREVYHEPSA-N -1 1 332.363 2.729 20 30 EFEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F ZINC000507561961 478928437 /nfs/dbraw/zinc/92/84/37/478928437.db2.gz DIBZNGJLBRBPJA-UHFFFAOYSA-N -1 1 332.356 2.895 20 30 EFEDMM CO[C@H]1CCOc2c([N-]S(=O)(=O)CCC(C)(C)C#N)cccc21 ZINC000584056627 479006801 /nfs/dbraw/zinc/00/68/01/479006801.db2.gz YEDPQIBIVBRAMO-AWEZNQCLSA-N -1 1 338.429 2.838 20 30 EFEDMM CCc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)[n-]c(=O)c1C ZINC000566498522 479092572 /nfs/dbraw/zinc/09/25/72/479092572.db2.gz DLVNXTJZHAMHJB-UHFFFAOYSA-N -1 1 348.472 2.830 20 30 EFEDMM N#C[C@H](NC(=O)c1ncccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000547653557 479118728 /nfs/dbraw/zinc/11/87/28/479118728.db2.gz WHTKVDDIZIQNEL-NSHDSACASA-N -1 1 337.257 2.680 20 30 EFEDMM CC[N@@H+](CCNc1nc(C#N)c(Cl)s1)CCC(F)(F)F ZINC000596210239 479200886 /nfs/dbraw/zinc/20/08/86/479200886.db2.gz MXRQDHWRWZOSEG-UHFFFAOYSA-N -1 1 326.775 2.776 20 30 EFEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000611280123 479335223 /nfs/dbraw/zinc/33/52/23/479335223.db2.gz VPCVNKYMENNMIM-GOSISDBHSA-N -1 1 337.423 2.851 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000588076780 479390752 /nfs/dbraw/zinc/39/07/52/479390752.db2.gz RIQHXBBUMVMFKD-UHFFFAOYSA-N -1 1 329.381 2.867 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N2CCC(CCC#N)CC2)c(=O)[n-]1 ZINC000575061854 479397069 /nfs/dbraw/zinc/39/70/69/479397069.db2.gz QGLZYVLRGACSDT-UHFFFAOYSA-N -1 1 348.472 2.688 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c1 ZINC000588171501 479402687 /nfs/dbraw/zinc/40/26/87/479402687.db2.gz QXPXHANBIQSJOZ-UHFFFAOYSA-N -1 1 343.726 2.500 20 30 EFEDMM Cc1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c([O-])c1 ZINC000588836242 479446844 /nfs/dbraw/zinc/44/68/44/479446844.db2.gz BDXYLURLVRYRCJ-UHFFFAOYSA-N -1 1 333.351 2.593 20 30 EFEDMM CCOC(=O)C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)CC(C)C ZINC000593791401 479461400 /nfs/dbraw/zinc/46/14/00/479461400.db2.gz VVVZLLKHJLMNQR-AWEZNQCLSA-N -1 1 332.400 2.609 20 30 EFEDMM CCOC(=O)C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)CC(C)C ZINC000593790618 479461473 /nfs/dbraw/zinc/46/14/73/479461473.db2.gz OBPVSPFMUILXNL-ZDUSSCGKSA-N -1 1 332.400 2.609 20 30 EFEDMM CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000593848290 479483337 /nfs/dbraw/zinc/48/33/37/479483337.db2.gz COXQKHLRDFXQPD-OAHLLOKOSA-N -1 1 344.411 2.990 20 30 EFEDMM COCCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589168881 479490258 /nfs/dbraw/zinc/49/02/58/479490258.db2.gz IUMMWAPYJVRMQN-UHFFFAOYSA-N -1 1 326.352 2.850 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c1 ZINC000589190678 479494740 /nfs/dbraw/zinc/49/47/40/479494740.db2.gz DZVDNIZOZOOJRG-UHFFFAOYSA-N -1 1 334.375 2.926 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000589189606 479494976 /nfs/dbraw/zinc/49/49/76/479494976.db2.gz LDVKHUBTNZOTIU-GOSISDBHSA-N -1 1 336.391 2.738 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000589197838 479497053 /nfs/dbraw/zinc/49/70/53/479497053.db2.gz FNPQZGRGCJUKNI-UHFFFAOYSA-N -1 1 345.742 2.798 20 30 EFEDMM Cc1ccccc1CCc1cc(=NC(=O)c2cc([O-])cc(C#N)c2)[nH][nH]1 ZINC000589202270 479497542 /nfs/dbraw/zinc/49/75/42/479497542.db2.gz SLUDLTTZBXRJOR-UHFFFAOYSA-N -1 1 346.390 2.755 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000589202373 479498623 /nfs/dbraw/zinc/49/86/23/479498623.db2.gz YAEJYXGLAABMQP-QGZVFWFLSA-N -1 1 326.327 2.696 20 30 EFEDMM CC[C@]1(CNC(=O)c2cc([O-])cc(C#N)c2)OCCc2ccccc21 ZINC000589537885 479538232 /nfs/dbraw/zinc/53/82/32/479538232.db2.gz ZLOCVAYEJRPIHO-HXUWFJFHSA-N -1 1 336.391 2.872 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000589585732 479542315 /nfs/dbraw/zinc/54/23/15/479542315.db2.gz QTMTXVZXMHDQBM-UHFFFAOYSA-N -1 1 338.392 2.944 20 30 EFEDMM Cc1[n-][nH]c(=O)c1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000590397487 479639091 /nfs/dbraw/zinc/63/90/91/479639091.db2.gz DBYZOJWMMNHLMP-UHFFFAOYSA-N -1 1 338.323 2.720 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000618935290 479644613 /nfs/dbraw/zinc/64/46/13/479644613.db2.gz BGMIUWDNMDTWDN-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1[O-] ZINC000615429205 479672945 /nfs/dbraw/zinc/67/29/45/479672945.db2.gz ZHBLFBAOZGNBDI-AWEZNQCLSA-N -1 1 338.367 2.892 20 30 EFEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619462421 479800419 /nfs/dbraw/zinc/80/04/19/479800419.db2.gz SGQCGCFGSHDGHE-UHFFFAOYSA-N -1 1 343.408 2.536 20 30 EFEDMM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000616171907 479843354 /nfs/dbraw/zinc/84/33/54/479843354.db2.gz KJLBGCZRFHJCSW-ZDUSSCGKSA-N -1 1 339.370 2.754 20 30 EFEDMM C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614298481 480258224 /nfs/dbraw/zinc/25/82/24/480258224.db2.gz PWHOOMISHJRJRY-OAHLLOKOSA-N -1 1 335.407 2.610 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000614297796 480258379 /nfs/dbraw/zinc/25/83/79/480258379.db2.gz DMWUWWVQJPSUGP-MRXNPFEDSA-N -1 1 339.370 2.802 20 30 EFEDMM CC(C)C(=O)Nc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614295129 480258385 /nfs/dbraw/zinc/25/83/85/480258385.db2.gz FBZCLUCHRXGKBN-UHFFFAOYSA-N -1 1 337.379 2.788 20 30 EFEDMM Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614295583 480258395 /nfs/dbraw/zinc/25/83/95/480258395.db2.gz XNAUJWUYUJIDMQ-UHFFFAOYSA-N -1 1 337.379 2.661 20 30 EFEDMM CN(C)c1cc(CNC(=O)c2cc([O-])cc(C#N)c2)c2ccccc2n1 ZINC000614300738 480259492 /nfs/dbraw/zinc/25/94/92/480259492.db2.gz RGFLDCULSXLUDH-UHFFFAOYSA-N -1 1 346.390 2.808 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)c1 ZINC000614304851 480262004 /nfs/dbraw/zinc/26/20/04/480262004.db2.gz QRWSBZDTBTXPNH-HNNXBMFYSA-N -1 1 339.370 2.802 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(Br)cc2)c1 ZINC000614365786 480283288 /nfs/dbraw/zinc/28/32/88/480283288.db2.gz FZWQRGMRXCCMJA-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000614367342 480284570 /nfs/dbraw/zinc/28/45/70/480284570.db2.gz GFMXBXAINGGRDF-GOSISDBHSA-N -1 1 349.390 2.531 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000614373870 480287431 /nfs/dbraw/zinc/28/74/31/480287431.db2.gz QMYYZQVFUZNAPN-FQEVSTJZSA-N -1 1 334.375 2.578 20 30 EFEDMM C=CCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)COC ZINC000617581470 480288180 /nfs/dbraw/zinc/28/81/80/480288180.db2.gz RSGPZUXCLNIDCR-SNVBAGLBSA-N -1 1 328.206 2.818 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(C#N)c1 ZINC000610711495 480371076 /nfs/dbraw/zinc/37/10/76/480371076.db2.gz XUZKQAXMJSHFJL-JTQLQIEISA-N -1 1 347.346 2.748 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(C#N)c1 ZINC000610711496 480371278 /nfs/dbraw/zinc/37/12/78/480371278.db2.gz XUZKQAXMJSHFJL-SNVBAGLBSA-N -1 1 347.346 2.748 20 30 EFEDMM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000645884772 480949205 /nfs/dbraw/zinc/94/92/05/480949205.db2.gz QJXNGNLVPFXKBW-JTQLQIEISA-N -1 1 343.857 2.607 20 30 EFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc4c3OCCCO4)nc1-2 ZINC000651302114 481692268 /nfs/dbraw/zinc/69/22/68/481692268.db2.gz ZKISYGIWGLXVDE-CYBMUJFWSA-N -1 1 348.362 2.918 20 30 EFEDMM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000435583471 534345803 /nfs/dbraw/zinc/34/58/03/534345803.db2.gz GXJPIMJKXJNFIB-RHSMWYFYSA-N -1 1 340.427 2.676 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000362587687 534499742 /nfs/dbraw/zinc/49/97/42/534499742.db2.gz MIKUBYOMGRDLQC-GFCCVEGCSA-N -1 1 348.399 2.931 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1OC ZINC000063878588 522223242 /nfs/dbraw/zinc/22/32/42/522223242.db2.gz PNWMYYLFHQUHCU-UHFFFAOYSA-N -1 1 346.408 2.993 20 30 EFEDMM C=C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000362585449 534662189 /nfs/dbraw/zinc/66/21/89/534662189.db2.gz CGOYQTRCUUGUFU-ZDUSSCGKSA-N -1 1 330.409 2.792 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(C)c1F ZINC000181146431 525081684 /nfs/dbraw/zinc/08/16/84/525081684.db2.gz LMJKIVCROPIYMC-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM C=CCN1C(=O)N[C@H](c2ccc([O-])c(Cl)c2)C(C(=O)N(C)C)=C1C ZINC000299300304 534846338 /nfs/dbraw/zinc/84/63/38/534846338.db2.gz QABFDWLMPAOVQJ-OAHLLOKOSA-N -1 1 349.818 2.660 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000076935930 526194885 /nfs/dbraw/zinc/19/48/85/526194885.db2.gz QJOOQMRCARRDBK-UHFFFAOYSA-N -1 1 341.392 2.552 20 30 EFEDMM CC(=O)N(c1nc(/C=C2/Oc3cc([O-])ccc3C2=O)cs1)C1CC1 ZINC000172043971 526504186 /nfs/dbraw/zinc/50/41/86/526504186.db2.gz SKBGXXYTJBMHKP-GIDUJCDVSA-N -1 1 342.376 2.980 20 30 EFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176693979 526655284 /nfs/dbraw/zinc/65/52/84/526655284.db2.gz GXDBZRPJJUNFOQ-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1Cl ZINC000078967278 526683733 /nfs/dbraw/zinc/68/37/33/526683733.db2.gz CLFMYSQZBIQRAU-UHFFFAOYSA-N -1 1 336.756 2.741 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCOCC1 ZINC000657129337 547039902 /nfs/dbraw/zinc/03/99/02/547039902.db2.gz KTWNTPRFWUWJOH-UHFFFAOYSA-N -1 1 333.812 2.883 20 30 EFEDMM Cc1nc[nH]c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000755590334 575604666 /nfs/dbraw/zinc/60/46/66/575604666.db2.gz KCPOVCFFGIVVMQ-UHFFFAOYSA-N -1 1 330.442 2.773 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000755616292 575608938 /nfs/dbraw/zinc/60/89/38/575608938.db2.gz BLRHDWCSKZNAGD-ZDUSSCGKSA-N -1 1 344.477 2.914 20 30 EFEDMM N#C[C@]1([N-]C(=O)C(F)(F)c2nccs2)CCc2ccccc2C1 ZINC000756749125 575783818 /nfs/dbraw/zinc/78/38/18/575783818.db2.gz GSIIDFJAGKZUPT-HNNXBMFYSA-N -1 1 333.363 2.802 20 30 EFEDMM COc1cc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc2c1OCO2 ZINC000756899410 575798553 /nfs/dbraw/zinc/79/85/53/575798553.db2.gz ZMKAPTMXSPEOOK-UHFFFAOYSA-N -1 1 344.323 2.577 20 30 EFEDMM COc1cc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)ccc1O ZINC000756901717 575798959 /nfs/dbraw/zinc/79/89/59/575798959.db2.gz YBDQPZHMGFBMRQ-UHFFFAOYSA-N -1 1 330.340 2.944 20 30 EFEDMM CCc1nn(C)c(CC)c1CN=Nc1ccc(C(=O)[O-])cc1OC ZINC000756905551 575799703 /nfs/dbraw/zinc/79/97/03/575799703.db2.gz CPQKBTUYGFDIQK-UHFFFAOYSA-N -1 1 330.388 2.698 20 30 EFEDMM COc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc1C#N ZINC000756906196 575799715 /nfs/dbraw/zinc/79/97/15/575799715.db2.gz UGZBECOXEAOFKF-UHFFFAOYSA-N -1 1 325.324 2.720 20 30 EFEDMM C#CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000756974206 575806931 /nfs/dbraw/zinc/80/69/31/575806931.db2.gz FMLTUUSPQUJPOQ-CQSZACIVSA-N -1 1 348.355 2.777 20 30 EFEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1cccc(OCC(=O)[O-])c1 ZINC000757460812 575839655 /nfs/dbraw/zinc/83/96/55/575839655.db2.gz GZIUEHSHAGLDLV-UHFFFAOYSA-N -1 1 338.367 2.873 20 30 EFEDMM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(O)ccc1[O-] ZINC000757467182 575839950 /nfs/dbraw/zinc/83/99/50/575839950.db2.gz BRUUVNFYMSTCMR-HNQUOIGGSA-N -1 1 343.291 2.673 20 30 EFEDMM O=C(/C=C/c1ccc(-n2cncn2)c(F)c1)c1cc(O)ccc1[O-] ZINC000757467678 575839976 /nfs/dbraw/zinc/83/99/76/575839976.db2.gz JEUOAZOKTJOBRT-GORDUTHDSA-N -1 1 325.299 2.714 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cccc3c2OCCO3)c1 ZINC000757471333 575840176 /nfs/dbraw/zinc/84/01/76/575840176.db2.gz ATNLGKYWCGLPRD-GQCTYLIASA-N -1 1 326.304 2.758 20 30 EFEDMM CC(=O)Nc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757474292 575840435 /nfs/dbraw/zinc/84/04/35/575840435.db2.gz RMHMRFHZBGMHDV-YWEYNIOJSA-N -1 1 325.320 2.945 20 30 EFEDMM Cc1ccc(-c2cccc(C=NNc3nc4[nH][n-]cc-4c(=O)n3)c2)cc1 ZINC000757577268 575842886 /nfs/dbraw/zinc/84/28/86/575842886.db2.gz YTRVLWZQUGXTFL-UHFFFAOYSA-N -1 1 344.378 2.853 20 30 EFEDMM [O-]c1c(O)cc(C=NNc2ccncc2Cl)cc1Br ZINC000757584532 575843465 /nfs/dbraw/zinc/84/34/65/575843465.db2.gz PMDNANQYPOKKIK-UHFFFAOYSA-N -1 1 342.580 2.777 20 30 EFEDMM CC1(C)CCCCC1=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000757583929 575843483 /nfs/dbraw/zinc/84/34/83/575843483.db2.gz JJGNKHLRCBOCGM-UHFFFAOYSA-N -1 1 325.390 2.829 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C/C=C/c2ccc(F)cc2F)c2ccccc21 ZINC000758105511 575859954 /nfs/dbraw/zinc/85/99/54/575859954.db2.gz VZQXJMZQKMAMLL-OVZMFLLRSA-N -1 1 347.346 2.703 20 30 EFEDMM COC(=O)[C@H](C)Oc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000758372350 575867945 /nfs/dbraw/zinc/86/79/45/575867945.db2.gz QCVFGOXQVKWCJL-LBPRGKRZSA-N -1 1 342.351 2.771 20 30 EFEDMM CC[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000758374347 575868073 /nfs/dbraw/zinc/86/80/73/575868073.db2.gz FHFPWNZUGCKTIR-GFCCVEGCSA-N -1 1 325.390 2.580 20 30 EFEDMM N#Cc1cccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000759057148 575883779 /nfs/dbraw/zinc/88/37/79/575883779.db2.gz ZKORNSIPRSZYHH-UHFFFAOYSA-N -1 1 341.348 2.515 20 30 EFEDMM N#Cc1ccc(O)c(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000759720466 575925836 /nfs/dbraw/zinc/92/58/36/575925836.db2.gz GPUYHLJRFSYNLG-UHFFFAOYSA-N -1 1 338.298 2.547 20 30 EFEDMM C#CCCCCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000760256674 575996172 /nfs/dbraw/zinc/99/61/72/575996172.db2.gz KITMMTVOPUJTGD-UHFFFAOYSA-N -1 1 341.429 2.707 20 30 EFEDMM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000761056706 576106684 /nfs/dbraw/zinc/10/66/84/576106684.db2.gz LWTNVWWPAZKVMX-UHFFFAOYSA-N -1 1 343.404 2.894 20 30 EFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cncnc1 ZINC000761091912 576112470 /nfs/dbraw/zinc/11/24/70/576112470.db2.gz FHAOXHCGXXGSOM-JTQLQIEISA-N -1 1 335.150 2.745 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000761210552 576130040 /nfs/dbraw/zinc/13/00/40/576130040.db2.gz GYKCGNUUHRINKR-CQSZACIVSA-N -1 1 343.404 2.974 20 30 EFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(-c2cccnc2)s1 ZINC000762036204 576247509 /nfs/dbraw/zinc/24/75/09/576247509.db2.gz DDWSOHGRVDLNCG-LBPRGKRZSA-N -1 1 349.375 2.561 20 30 EFEDMM C[C@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)c1cccc(Cl)c1 ZINC000763362905 576374199 /nfs/dbraw/zinc/37/41/99/576374199.db2.gz IJNVQJARUHJGPO-SECBINFHSA-N -1 1 330.779 2.924 20 30 EFEDMM N#Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c(Cl)c([N+](=O)[O-])c1 ZINC000764302247 576446956 /nfs/dbraw/zinc/44/69/56/576446956.db2.gz GQABRNNIWVGSHN-UHFFFAOYSA-N -1 1 347.674 2.675 20 30 EFEDMM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764839984 576510540 /nfs/dbraw/zinc/51/05/40/576510540.db2.gz DMBJZNKTLXPMSB-UHFFFAOYSA-N -1 1 327.344 2.907 20 30 EFEDMM C[C@H]1CC(=NC(=O)c2[n-]nc(-c3ccccc3)c2Br)NO1 ZINC000765384774 577037317 /nfs/dbraw/zinc/03/73/17/577037317.db2.gz QRASORSKDKNAJH-QMMMGPOBSA-N -1 1 349.188 2.691 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNCc3ccc(F)c(F)c3)n[nH]c2c1 ZINC000765573056 577055286 /nfs/dbraw/zinc/05/52/86/577055286.db2.gz HSINGDINIWEGPZ-UHFFFAOYSA-N -1 1 330.294 2.663 20 30 EFEDMM COC(=O)c1coc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000766452142 577151934 /nfs/dbraw/zinc/15/19/34/577151934.db2.gz AQERTHLYHLJORM-UHFFFAOYSA-N -1 1 332.312 2.609 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(F)c(-c2cccs2)c1 ZINC000766483433 577157169 /nfs/dbraw/zinc/15/71/69/577157169.db2.gz WJERFMHOBSNMNM-UHFFFAOYSA-N -1 1 332.385 2.677 20 30 EFEDMM Cc1cccc2c1[C@H](C)CC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000766688412 577177296 /nfs/dbraw/zinc/17/72/96/577177296.db2.gz AHSJOLLQFFRJFK-GFCCVEGCSA-N -1 1 339.420 2.945 20 30 EFEDMM N#Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000767081063 577195722 /nfs/dbraw/zinc/19/57/22/577195722.db2.gz NTGGVPMNYYAPEX-UHFFFAOYSA-N -1 1 342.207 2.739 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1 ZINC000767735325 577230974 /nfs/dbraw/zinc/23/09/74/577230974.db2.gz RYHNPIPRMRUYDB-UHFFFAOYSA-N -1 1 334.744 2.549 20 30 EFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000768834748 577307475 /nfs/dbraw/zinc/30/74/75/577307475.db2.gz PERZJWNRVHZHMH-GFCCVEGCSA-N -1 1 339.398 2.647 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2ccc(C)cc2)c1 ZINC000726736816 577382037 /nfs/dbraw/zinc/38/20/37/577382037.db2.gz VCQSHZDEBWXAIN-UHFFFAOYSA-N -1 1 343.408 2.808 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)c1 ZINC000726732229 577382337 /nfs/dbraw/zinc/38/23/37/577382337.db2.gz CJQTVFINKFSGCS-INIZCTEOSA-N -1 1 348.362 2.841 20 30 EFEDMM CCO[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1(C)C ZINC000769807113 577386699 /nfs/dbraw/zinc/38/66/99/577386699.db2.gz GTGRFKOOPOPAAM-LBPRGKRZSA-N -1 1 346.435 2.890 20 30 EFEDMM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1cccc(O)c1 ZINC000769808414 577386900 /nfs/dbraw/zinc/38/69/00/577386900.db2.gz GKLWRTPGFOWAHH-UHFFFAOYSA-N -1 1 340.387 2.829 20 30 EFEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)[C@@H]1CCOC1 ZINC000769808094 577386933 /nfs/dbraw/zinc/38/69/33/577386933.db2.gz AWQSJVCHVIQMOO-SNVBAGLBSA-N -1 1 332.408 2.501 20 30 EFEDMM CC[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CCO1 ZINC000769814118 577387452 /nfs/dbraw/zinc/38/74/52/577387452.db2.gz XWCHJEXKKSRYCX-LLVKDONJSA-N -1 1 332.408 2.644 20 30 EFEDMM Cc1ccc(CC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C2CC2)cc1 ZINC000769818145 577387587 /nfs/dbraw/zinc/38/75/87/577387587.db2.gz QSAMFRDLSAKNNU-UHFFFAOYSA-N -1 1 336.399 2.798 20 30 EFEDMM CCO[C@H]1CC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C12CCCCC2 ZINC000769819925 577387781 /nfs/dbraw/zinc/38/77/81/577387781.db2.gz QERUGVSTAOJNIO-ZDUSSCGKSA-N -1 1 344.419 2.596 20 30 EFEDMM N#Cc1ccc(O)c(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000770129418 577403515 /nfs/dbraw/zinc/40/35/15/577403515.db2.gz QIPHOPGKVCGDGS-UHFFFAOYSA-N -1 1 333.141 2.984 20 30 EFEDMM COCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727061048 577432337 /nfs/dbraw/zinc/43/23/37/577432337.db2.gz AQYGSOOOMFCEAR-UHFFFAOYSA-N -1 1 333.413 2.922 20 30 EFEDMM N#Cc1ccc(-c2nnc(COC(=O)c3ccc([O-])cc3F)o2)cc1 ZINC000773566093 581446356 /nfs/dbraw/zinc/44/63/56/581446356.db2.gz CTBAOIVHTHMZDI-UHFFFAOYSA-N -1 1 339.282 2.810 20 30 EFEDMM CC(CCCC(F)(F)F)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000774364647 581490217 /nfs/dbraw/zinc/49/02/17/581490217.db2.gz TUPUXYXGVXDBPY-UHFFFAOYSA-N -1 1 333.335 2.834 20 30 EFEDMM CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)C1(c2ccccc2)CCCC1 ZINC000774384212 581490646 /nfs/dbraw/zinc/49/06/46/581490646.db2.gz DWGBXFWHADVLLS-UHFFFAOYSA-N -1 1 336.399 2.732 20 30 EFEDMM C#CCOc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735388175 598943483 /nfs/dbraw/zinc/94/34/83/598943483.db2.gz SKBBABNAJGGZJW-UHFFFAOYSA-N -1 1 340.774 2.539 20 30 EFEDMM C#CCOc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735388175 598943485 /nfs/dbraw/zinc/94/34/85/598943485.db2.gz SKBBABNAJGGZJW-UHFFFAOYSA-N -1 1 340.774 2.539 20 30 EFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000819865912 597603760 /nfs/dbraw/zinc/60/37/60/597603760.db2.gz PUZVESIBWVVNNP-ZDUSSCGKSA-N -1 1 340.261 2.525 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000737506227 600100751 /nfs/dbraw/zinc/10/07/51/600100751.db2.gz MWYLLZUVLWTQSP-XWAFYUISSA-N -1 1 342.439 2.664 20 30 EFEDMM N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739142583 600100884 /nfs/dbraw/zinc/10/08/84/600100884.db2.gz PYWGNHMBZKRZPN-UHFFFAOYSA-N -1 1 335.316 2.588 20 30 EFEDMM CCC[C@@](C)(NCC(=O)N(CCC#N)c1cccc(C)c1C)C(=O)[O-] ZINC000736959161 600461393 /nfs/dbraw/zinc/46/13/93/600461393.db2.gz DQERCLYIBLQYOD-LJQANCHMSA-N -1 1 345.443 2.783 20 30 EFEDMM CCC[C@](C)(NCC(=O)N(CCC#N)c1cccc(C)c1C)C(=O)[O-] ZINC000736959160 600461488 /nfs/dbraw/zinc/46/14/88/600461488.db2.gz DQERCLYIBLQYOD-IBGZPJMESA-N -1 1 345.443 2.783 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(OCC(=O)[O-])cc3)[nH]c21 ZINC000738745934 600519599 /nfs/dbraw/zinc/51/95/99/600519599.db2.gz ABIDEJIYVNQQOM-AWEZNQCLSA-N -1 1 349.346 2.825 20 30 EFEDMM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC)c1 ZINC000737995932 600562454 /nfs/dbraw/zinc/56/24/54/600562454.db2.gz UOZNHVITHVUNKQ-GOSISDBHSA-N -1 1 340.379 2.833 20 30 EFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000739106151 600573249 /nfs/dbraw/zinc/57/32/49/600573249.db2.gz PZVMSXMVJKXHAP-KGLIPLIRSA-N -1 1 342.317 2.727 20 30 EFEDMM CCCOc1ncccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737035934 600595815 /nfs/dbraw/zinc/59/58/15/600595815.db2.gz WXYGRQJFQSTTFJ-INIZCTEOSA-N -1 1 325.368 2.658 20 30 EFEDMM CC(=O)Nc1cccc2c1CCN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000825916944 601312028 /nfs/dbraw/zinc/31/20/28/601312028.db2.gz AVDGJAJZMIPZFW-LJQANCHMSA-N -1 1 349.390 2.701 20 30 EFEDMM CC(C)[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000817977692 601823565 /nfs/dbraw/zinc/82/35/65/601823565.db2.gz SGPMFRAVGVAWLO-HNNXBMFYSA-N -1 1 349.456 2.526 20 30 EFEDMM N#Cc1cccc(-c2nnc(CN3CCC(CCC(=O)[O-])CC3)o2)c1 ZINC000833074216 601840290 /nfs/dbraw/zinc/84/02/90/601840290.db2.gz RVUMTKHPOAPACN-UHFFFAOYSA-N -1 1 340.383 2.685 20 30 EFEDMM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1[C@H](C)CC[C@H]1C ZINC000833604215 604583070 /nfs/dbraw/zinc/58/30/70/604583070.db2.gz RFRRMKQTVXHQCM-UPJWGTAASA-N -1 1 330.384 2.561 20 30 EFEDMM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1cncc(Br)c1 ZINC000833406084 605040607 /nfs/dbraw/zinc/04/06/07/605040607.db2.gz LHIRRZCWSYZLPR-VIFPVBQESA-N -1 1 337.177 2.737 20 30 EFEDMM CC(N=Nc1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)[O-] ZINC000833386923 605322866 /nfs/dbraw/zinc/32/28/66/605322866.db2.gz CDVKKAAFGQHSSA-UHFFFAOYSA-N -1 1 329.312 2.894 20 30 EFEDMM CC(=NNc1nc2ccccc2n1C)c1ccccc1OCC(=O)[O-] ZINC000833387078 605326280 /nfs/dbraw/zinc/32/62/80/605326280.db2.gz MZCHTDFZSSROSC-UHFFFAOYSA-N -1 1 338.367 2.873 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821050620 606163965 /nfs/dbraw/zinc/16/39/65/606163965.db2.gz SLHUNVSKFMKSHV-LBPRGKRZSA-N -1 1 348.455 2.718 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821050620 606163966 /nfs/dbraw/zinc/16/39/66/606163966.db2.gz SLHUNVSKFMKSHV-LBPRGKRZSA-N -1 1 348.455 2.718 20 30 EFEDMM CC(N=Nc1ncnc2sccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823962481 608094596 /nfs/dbraw/zinc/09/45/96/608094596.db2.gz KPEIBQSTWYQMBL-UHFFFAOYSA-N -1 1 342.413 2.769 20 30 EFEDMM CC[C@@H]1C[C@H](CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184741 609516832 /nfs/dbraw/zinc/51/68/32/609516832.db2.gz YXAKFQOQANEISM-VXGBXAGGSA-N -1 1 347.423 2.656 20 30 EFEDMM C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062150332 1260181433 /nfs/dbraw/zinc/18/14/33/1260181433.db2.gz JYIHYAVDAIJJGP-LSDHHAIUSA-N -1 1 345.443 2.500 20 30 EFEDMM C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062236856 1260324446 /nfs/dbraw/zinc/32/44/46/1260324446.db2.gz UGAMAWJWLYGQKA-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM CCCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccsc1 ZINC000785453235 1261354937 /nfs/dbraw/zinc/35/49/37/1261354937.db2.gz MYSNQRCYPYCZFQ-UHFFFAOYSA-N -1 1 333.438 2.991 20 30 EFEDMM Cc1nc(C(=O)NCc2cccc(Br)c2[O-])ccc1C#N ZINC001116778539 1261460421 /nfs/dbraw/zinc/46/04/21/1261460421.db2.gz MLEJWOHUBKBCQR-UHFFFAOYSA-N -1 1 346.184 2.660 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)s2)cc1 ZINC000729887778 1264100259 /nfs/dbraw/zinc/10/02/59/1264100259.db2.gz CIFBTUOFSTYVES-CYBMUJFWSA-N -1 1 341.392 2.990 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079332 1266554692 /nfs/dbraw/zinc/55/46/92/1266554692.db2.gz XMKATCUWRTUSOT-LSDHHAIUSA-N -1 1 345.443 2.500 20 30 EFEDMM CCc1cc2c(COC(=O)C3(C#N)CCC3)cc(=O)oc2cc1[O-] ZINC000736842299 1267777956 /nfs/dbraw/zinc/77/79/56/1267777956.db2.gz XPDQWBBYNODSFL-UHFFFAOYSA-N -1 1 327.336 2.798 20 30 EFEDMM COc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(SC)cc1OC ZINC000741159754 1269358914 /nfs/dbraw/zinc/35/89/14/1269358914.db2.gz NRVKXKCREHWXBC-UHFFFAOYSA-N -1 1 334.401 2.676 20 30 EFEDMM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000741658312 1269637419 /nfs/dbraw/zinc/63/74/19/1269637419.db2.gz VBEGJMIXGDIVDH-UHFFFAOYSA-N -1 1 333.384 2.822 20 30 EFEDMM C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429839 1270343033 /nfs/dbraw/zinc/34/30/33/1270343033.db2.gz VACNGPHUHHYCGO-GJZGRUSLSA-N -1 1 345.443 2.500 20 30 EFEDMM CC(C)OCC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001143367095 1278595708 /nfs/dbraw/zinc/59/57/08/1278595708.db2.gz ARBTZFOUYXASSM-CAOOACKPSA-N -1 1 346.412 2.585 20 30 EFEDMM CC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000744463427 1271057170 /nfs/dbraw/zinc/05/71/70/1271057170.db2.gz FFNPAKXTHWLVEP-UHFFFAOYSA-N -1 1 343.404 2.976 20 30 EFEDMM N=C(c1nonc1N)N([O-])C(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC001143625915 1278623399 /nfs/dbraw/zinc/62/33/99/1278623399.db2.gz ZPQAHEPBGZQCAG-CYBMUJFWSA-N -1 1 343.387 2.559 20 30 EFEDMM COC(=O)n1ncc(C#N)c1[N-]c1c(F)c(F)c(C#N)c(F)c1F ZINC001169968611 1273268982 /nfs/dbraw/zinc/26/89/82/1273268982.db2.gz YLMVBCPBYUFLAU-UHFFFAOYSA-N -1 1 339.208 2.541 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC#N)cc2)cc1C ZINC000785503218 1275103210 /nfs/dbraw/zinc/10/32/10/1275103210.db2.gz JVQSPWOAXMYMNV-UHFFFAOYSA-N -1 1 344.392 2.785 20 30 EFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)OCC#N)c2)c1 ZINC000785555940 1275117354 /nfs/dbraw/zinc/11/73/54/1275117354.db2.gz WKMRIQVAYFVKOV-UHFFFAOYSA-N -1 1 344.392 2.785 20 30 EFEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(Cl)cc1 ZINC000786112192 1275301907 /nfs/dbraw/zinc/30/19/07/1275301907.db2.gz MYQCFTDJXYYSQB-GFCCVEGCSA-N -1 1 328.746 2.961 20 30 EFEDMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1cccc([N+](=O)[O-])c1 ZINC000787167910 1275699980 /nfs/dbraw/zinc/69/99/80/1275699980.db2.gz GZQOHPVULUSONS-OKOBRVOXSA-N -1 1 341.319 2.769 20 30 EFEDMM C[C@H](Oc1cccc(CN=Nc2nc3ccccc3n2C)c1)C(=O)[O-] ZINC000746679640 1275774050 /nfs/dbraw/zinc/77/40/50/1275774050.db2.gz KBGCUUGMXBCERP-LBPRGKRZSA-N -1 1 338.367 2.871 20 30 EFEDMM N#Cc1ccccc1COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787953575 1275982907 /nfs/dbraw/zinc/98/29/07/1275982907.db2.gz ARHUQJRAOIMKRY-UHFFFAOYSA-N -1 1 337.310 2.946 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCC#N)c2)[n-]c1=O ZINC000788356436 1276148157 /nfs/dbraw/zinc/14/81/57/1276148157.db2.gz WEUCGHBCLKRIBI-XFXZXTDPSA-N -1 1 339.351 2.822 20 30 EFEDMM CC(=NNc1ccc(-n2ccnc2)nn1)c1cc(C(=O)[O-])ccc1C ZINC000788443594 1276173717 /nfs/dbraw/zinc/17/37/17/1276173717.db2.gz ZWPPSKRBTLGJHP-UHFFFAOYSA-N -1 1 336.355 2.505 20 30 EFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000805139437 1279036787 /nfs/dbraw/zinc/03/67/87/1279036787.db2.gz VRHBZULTSWLWOX-UHFFFAOYSA-N -1 1 336.244 2.997 20 30 EFEDMM C=CCOc1ccc(C=CC(=O)Nc2c(C)[n-][nH]c2=O)cc1OC ZINC000820401781 1277149431 /nfs/dbraw/zinc/14/94/31/1277149431.db2.gz FBEUNXMHFCBGKE-SOFGYWHQSA-N -1 1 329.356 2.649 20 30 EFEDMM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000792625715 1279026716 /nfs/dbraw/zinc/02/67/16/1279026716.db2.gz MFZNXZFJRGJTHY-GFCCVEGCSA-N -1 1 347.415 2.639 20 30 EFEDMM COCCN(C)c1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cn1 ZINC000790218639 1277361138 /nfs/dbraw/zinc/36/11/38/1277361138.db2.gz UEPKGEVPXAYGIK-CXUHLZMHSA-N -1 1 340.379 2.794 20 30 EFEDMM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144553422 1279818802 /nfs/dbraw/zinc/81/88/02/1279818802.db2.gz CNUXUMWQUITDPK-KDOFPFPSSA-N -1 1 339.382 2.997 20 30 EFEDMM COC(=O)c1cc([O-])c(F)cc1NC(=O)/C=C/C(=O)c1ccccc1 ZINC001144710706 1280018556 /nfs/dbraw/zinc/01/85/56/1280018556.db2.gz SHBXIZQFZRNDKN-BQYQJAHWSA-N -1 1 343.310 2.696 20 30 EFEDMM N#CC(CCOC(=O)c1cn[n-]n1)(c1ccccc1)c1ccccc1 ZINC000805605185 1280632223 /nfs/dbraw/zinc/63/22/23/1280632223.db2.gz WAPXNIVCJIMDPB-UHFFFAOYSA-N -1 1 332.363 2.861 20 30 EFEDMM N#Cc1csc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000752585793 1280713133 /nfs/dbraw/zinc/71/31/33/1280713133.db2.gz ABOIYLLMUZHLEI-UHFFFAOYSA-N -1 1 327.317 2.789 20 30 EFEDMM O=C([O-])c1ccc(C(=O)/C=C/c2cccc3c2OCCO3)c(O)c1 ZINC000806558479 1281095161 /nfs/dbraw/zinc/09/51/61/1281095161.db2.gz DLRMYPCCCQXRBQ-FNORWQNLSA-N -1 1 326.304 2.758 20 30 EFEDMM CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)o1 ZINC000806561638 1281095922 /nfs/dbraw/zinc/09/59/22/1281095922.db2.gz XIOILJRIJVOAKA-DAXSKMNVSA-N -1 1 330.292 2.756 20 30 EFEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1OCCCC#N ZINC000747357178 1281159421 /nfs/dbraw/zinc/15/94/21/1281159421.db2.gz LOKNYASELFDJGR-UHFFFAOYSA-N -1 1 341.371 2.628 20 30 EFEDMM Cc1ccc(N2CCC[C@@H](NC(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000809696057 1282380202 /nfs/dbraw/zinc/38/02/02/1282380202.db2.gz XOGPKIRDAPPCPP-QGZVFWFLSA-N -1 1 335.407 2.971 20 30 EFEDMM N#Cc1c(N)cc(=N)n(-c2cc([O-])cc(Cl)c2)c1Br ZINC001176620565 1288050059 /nfs/dbraw/zinc/05/00/59/1288050059.db2.gz KIAPYTKNDPXLOB-UHFFFAOYSA-N -1 1 339.580 2.532 20 30 EFEDMM C=CCC(C)(C)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000815705017 1287699661 /nfs/dbraw/zinc/69/96/61/1287699661.db2.gz WDQQOTOZQBSVKV-UHFFFAOYSA-N -1 1 337.401 2.667 20 30 EFEDMM COc1c([O-])c(C=NN[C@@H](C)COc2ccccc2)ccc1[N+](=O)[O-] ZINC000811667143 1284496681 /nfs/dbraw/zinc/49/66/81/1284496681.db2.gz OOAIHEJNKGTZNC-LBPRGKRZSA-N -1 1 345.355 2.700 20 30 EFEDMM COc1ccc(Br)c(C=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000747735523 1284498540 /nfs/dbraw/zinc/49/85/40/1284498540.db2.gz ACBQQYCPTQKWPG-UHFFFAOYSA-N -1 1 337.177 2.708 20 30 EFEDMM CC(C)[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000747753088 1284786321 /nfs/dbraw/zinc/78/63/21/1284786321.db2.gz AEQRZLVHMNIKMJ-AWEZNQCLSA-N -1 1 339.417 2.826 20 30 EFEDMM C[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000747764585 1284813311 /nfs/dbraw/zinc/81/33/11/1284813311.db2.gz PSTOTRLCMHEJQC-GHMZBOCLSA-N -1 1 325.390 2.685 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(Br)c2)c(=O)o1 ZINC000105639142 1284987703 /nfs/dbraw/zinc/98/77/03/1284987703.db2.gz ZOALIJLVCRHSJJ-GEXIGZQTSA-N -1 1 335.153 2.677 20 30 EFEDMM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2cccc([O-])c2Cl)n1 ZINC000814784779 1287037439 /nfs/dbraw/zinc/03/74/39/1287037439.db2.gz STXYSVLACDVNQT-UHFFFAOYSA-N -1 1 348.819 2.611 20 30 EFEDMM COc1ccc(NN=C(C)c2cccc(O[C@@H](C)C(=O)[O-])c2)nc1 ZINC000814909173 1287148232 /nfs/dbraw/zinc/14/82/32/1287148232.db2.gz IWKLBDDZHNKLEU-LBPRGKRZSA-N -1 1 329.356 2.778 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)Cc1csc(C(F)(F)F)n1 ZINC001177281135 1288376696 /nfs/dbraw/zinc/37/66/96/1288376696.db2.gz ICECGFOENJBFOQ-UHFFFAOYSA-N -1 1 344.318 2.530 20 30 EFEDMM N#Cc1ccc(NC(=O)Cc2csc(C(F)(F)F)n2)c([O-])c1 ZINC001177281150 1288376877 /nfs/dbraw/zinc/37/68/77/1288376877.db2.gz IQOPZJJNJCDBQE-UHFFFAOYSA-N -1 1 327.287 2.920 20 30 EFEDMM C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(C#N)cc2[O-])CC1=O ZINC001181268927 1289759986 /nfs/dbraw/zinc/75/99/86/1289759986.db2.gz QNHPGHMLEPJNDH-CJNGLKHVSA-N -1 1 349.390 2.812 20 30 EFEDMM CCOC[C@H]1CN(Cc2cc(C#N)ccc2[O-])Cc2cn(CC)nc21 ZINC001232675883 1312758584 /nfs/dbraw/zinc/75/85/84/1312758584.db2.gz FDPAVXIAWNDEPT-QGZVFWFLSA-N -1 1 340.427 2.616 20 30 EFEDMM N#Cc1ccc([O-])c(CN2CCN(c3ccc(F)cc3F)CC2)c1 ZINC001232677151 1312758648 /nfs/dbraw/zinc/75/86/48/1312758648.db2.gz BLBKMJQFOUSUAC-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM CCOC[C@@H]1CN(Cc2cc(C#N)ccc2[O-])Cc2c1cnn2CC ZINC001232675589 1312758711 /nfs/dbraw/zinc/75/87/11/1312758711.db2.gz QKRDSHZADAWNSU-INIZCTEOSA-N -1 1 340.427 2.616 20 30 EFEDMM C[C@@]12CCN(C(=O)c3ccc(C#N)c([O-])c3)C[C@@H]1C2(Cl)Cl ZINC000803550335 1312791895 /nfs/dbraw/zinc/79/18/95/1312791895.db2.gz PDAHLWKYPRZBAD-GXTWGEPZSA-N -1 1 325.195 2.920 20 30 EFEDMM C=CCOCc1nn(C)c2c1CN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232935948 1312812474 /nfs/dbraw/zinc/81/24/74/1312812474.db2.gz MKXBBXBHVRCWSV-UHFFFAOYSA-N -1 1 349.381 2.665 20 30 EFEDMM C=CCOCc1ncn2c1CN(Cc1ccc(F)c([O-])c1F)CCC2 ZINC001232933575 1312812766 /nfs/dbraw/zinc/81/27/66/1312812766.db2.gz LMGVCONCAGNBBU-UHFFFAOYSA-N -1 1 349.381 2.975 20 30 EFEDMM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC001186927806 1291041725 /nfs/dbraw/zinc/04/17/25/1291041725.db2.gz NTQLFPCMCDVYMG-NSHDSACASA-N -1 1 341.392 2.609 20 30 EFEDMM CCOCCOc1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001187158198 1291107167 /nfs/dbraw/zinc/10/71/67/1291107167.db2.gz CKBUVFONWCXLGE-UHFFFAOYSA-N -1 1 326.352 2.931 20 30 EFEDMM COc1ccc(OCC(=O)N([O-])C(=N)c2ccccc2N)c(Cl)c1 ZINC001187286400 1291138226 /nfs/dbraw/zinc/13/82/26/1291138226.db2.gz MJZBVFHRJGIMBA-UHFFFAOYSA-N -1 1 349.774 2.553 20 30 EFEDMM C=CCN1CCC2(CCN(C(=O)c3cccc([O-])c3Cl)CC2)C1=O ZINC001273543021 1291193955 /nfs/dbraw/zinc/19/39/55/1291193955.db2.gz UPZVURNKHMDDCZ-UHFFFAOYSA-N -1 1 348.830 2.686 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cccc([O-])c2Cl)C1=O ZINC001273546453 1291219015 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RYSHLMFGPGUNHG-UHFFFAOYSA-N -1 1 330.394 2.672 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c2ccncc12 ZINC001259125702 1316212047 /nfs/dbraw/zinc/21/20/47/1316212047.db2.gz NSHSWTSGQLBZEY-UHFFFAOYSA-N -1 1 339.376 2.916 20 30 EFEDMM Cc1cc(=O)oc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc12 ZINC001259124773 1316212085 /nfs/dbraw/zinc/21/20/85/1316212085.db2.gz LQMAWFHDGNFWMI-UHFFFAOYSA-N -1 1 340.360 2.774 20 30 EFEDMM COC(=O)/C=C/c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259126030 1316212099 /nfs/dbraw/zinc/21/20/99/1316212099.db2.gz HNOSMMZEHITRBZ-CMDGGOBGSA-N -1 1 342.376 2.545 20 30 EFEDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC001259124482 1316212139 /nfs/dbraw/zinc/21/21/39/1316212139.db2.gz NRZCPUMXIPJALZ-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125549 1316212299 /nfs/dbraw/zinc/21/22/99/1316212299.db2.gz ILPRZTBHUGRAMD-UHFFFAOYSA-N -1 1 330.394 2.672 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3ncnc(Cl)c3c2)c1 ZINC001259125510 1316212486 /nfs/dbraw/zinc/21/24/86/1316212486.db2.gz GLCLYSWXDDCUKM-UHFFFAOYSA-N -1 1 344.783 2.956 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C#N ZINC001259396307 1316237384 /nfs/dbraw/zinc/23/73/84/1316237384.db2.gz SXYCEFOTKRCXAB-UHFFFAOYSA-N -1 1 345.405 2.977 20 30 EFEDMM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412777 1316239170 /nfs/dbraw/zinc/23/91/70/1316239170.db2.gz RPFYECABRCEUCR-UHFFFAOYSA-N -1 1 325.752 2.855 20 30 EFEDMM CN1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc21 ZINC001259417173 1316239712 /nfs/dbraw/zinc/23/97/12/1316239712.db2.gz BVUUQZWYTPOZAO-UHFFFAOYSA-N -1 1 345.399 2.881 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc(Cl)n1 ZINC001259413116 1316240031 /nfs/dbraw/zinc/24/00/31/1316240031.db2.gz SIDAVDOWAURGLO-UHFFFAOYSA-N -1 1 325.752 2.855 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCCO3)ccc1F ZINC001259419579 1316240325 /nfs/dbraw/zinc/24/03/25/1316240325.db2.gz IQZGWRRARJTECV-UHFFFAOYSA-N -1 1 332.356 2.823 20 30 EFEDMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418883 1316240428 /nfs/dbraw/zinc/24/04/28/1316240428.db2.gz WIRPBRLTRHZUAE-UHFFFAOYSA-N -1 1 329.356 2.990 20 30 EFEDMM N#Cc1cnc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC001259495338 1316251649 /nfs/dbraw/zinc/25/16/49/1316251649.db2.gz KMRGOKYEBBMGOG-UHFFFAOYSA-N -1 1 347.705 2.825 20 30 EFEDMM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)CCC(F)(F)F)c1F ZINC001259873946 1316290910 /nfs/dbraw/zinc/29/09/10/1316290910.db2.gz LIADITCQYSSHMS-UHFFFAOYSA-N -1 1 332.225 2.670 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)OCC ZINC001259930495 1316298946 /nfs/dbraw/zinc/29/89/46/1316298946.db2.gz WLEHRGYWRMOKKB-UHFFFAOYSA-N -1 1 337.319 2.810 20 30 EFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)CCCC1 ZINC001260204306 1316323974 /nfs/dbraw/zinc/32/39/74/1316323974.db2.gz ZWSVNRPAFKBHRO-UHFFFAOYSA-N -1 1 334.775 2.980 20 30 EFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cn1 ZINC001260714104 1316361888 /nfs/dbraw/zinc/36/18/88/1316361888.db2.gz VSYRAVUOWJYFRO-UHFFFAOYSA-N -1 1 342.420 2.967 20 30 EFEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(NC(C)=O)c1 ZINC001260810023 1316370498 /nfs/dbraw/zinc/37/04/98/1316370498.db2.gz RVRAPOLUZFDJMT-UHFFFAOYSA-N -1 1 343.408 2.880 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)c1 ZINC001260846509 1316373898 /nfs/dbraw/zinc/37/38/98/1316373898.db2.gz XPSGCXAXGXZSHW-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2C)cc1C#N ZINC001260998450 1316382674 /nfs/dbraw/zinc/38/26/74/1316382674.db2.gz PGAMAXYBQDLKDF-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261075564 1316388193 /nfs/dbraw/zinc/38/81/93/1316388193.db2.gz FOJSYEABJRCAFR-UHFFFAOYSA-N -1 1 341.751 2.852 20 30 EFEDMM C=CCCSCC[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001261580284 1316419670 /nfs/dbraw/zinc/41/96/70/1316419670.db2.gz MPERILUCOMQXRO-UHFFFAOYSA-N -1 1 337.413 2.561 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]1c1ccsc1 ZINC001262961787 1316509333 /nfs/dbraw/zinc/50/93/33/1316509333.db2.gz UOGZKVIGKSBFQG-ZDUSSCGKSA-N -1 1 342.428 2.963 20 30 EFEDMM CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)cc1[O-] ZINC001279498241 1317278368 /nfs/dbraw/zinc/27/83/68/1317278368.db2.gz YYDHFKVMEURDRR-CEXWTWQISA-N -1 1 349.434 2.571 20 30 EFEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001319338644 1328857543 /nfs/dbraw/zinc/85/75/43/1328857543.db2.gz MWWOIEDMVXCYHN-UHFFFAOYSA-N -1 1 346.408 2.579 20 30 EFEDMM C=CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)OCC ZINC001320424715 1329129104 /nfs/dbraw/zinc/12/91/04/1329129104.db2.gz OZHAOVWRMJRVQT-NSHDSACASA-N -1 1 331.290 2.649 20 30 EFEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc12 ZINC001324025765 1329591963 /nfs/dbraw/zinc/59/19/63/1329591963.db2.gz VHMWSITZNVQUEH-UHFFFAOYSA-N -1 1 340.408 2.749 20 30 EFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C#N)C1CCCCC1 ZINC001335746679 1331396844 /nfs/dbraw/zinc/39/68/44/1331396844.db2.gz KBENEOCXOJJOFG-CYBMUJFWSA-N -1 1 344.383 2.724 20 30 EFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@@H](CC)C1 ZINC001338980708 1331764135 /nfs/dbraw/zinc/76/41/35/1331764135.db2.gz KRSHYGADRIGKOF-NSHDSACASA-N -1 1 349.822 2.500 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCCCC1 ZINC001340224656 1332156858 /nfs/dbraw/zinc/15/68/58/1332156858.db2.gz VDHMUVALPADRFB-UHFFFAOYSA-N -1 1 340.431 2.885 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CCCC ZINC001340345350 1332178122 /nfs/dbraw/zinc/17/81/22/1332178122.db2.gz FCJVBNDGDHLPES-UHFFFAOYSA-N -1 1 328.420 2.740 20 30 EFEDMM N#CC(=C([O-])c1ccnc(C2CC2)c1)c1nc(N)c2ccccc2n1 ZINC001341805878 1332286123 /nfs/dbraw/zinc/28/61/23/1332286123.db2.gz WCBASZRVBVEUCO-AWEZNQCLSA-N -1 1 329.363 2.974 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C)[C@@H]1C ZINC001342040314 1332297462 /nfs/dbraw/zinc/29/74/62/1332297462.db2.gz PBHBJYJYNOUFRY-RYUDHWBXSA-N -1 1 340.431 2.739 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@H](SC)C1 ZINC001342081169 1332302597 /nfs/dbraw/zinc/30/25/97/1332302597.db2.gz GSLLAOZFFGKAPQ-LBPRGKRZSA-N -1 1 348.476 2.672 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@H](C)c1ccco1 ZINC001342083019 1332302981 /nfs/dbraw/zinc/30/29/81/1332302981.db2.gz UGLGAEWRZNHXBJ-LLVKDONJSA-N -1 1 328.376 2.740 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(CC)Cc1cccs1 ZINC001342177769 1332313934 /nfs/dbraw/zinc/31/39/34/1332313934.db2.gz RBMGTRMGZAQBNE-UHFFFAOYSA-N -1 1 330.417 2.648 20 30 EFEDMM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1nccn1Cc1ccccc1 ZINC001343704139 1332371128 /nfs/dbraw/zinc/37/11/28/1332371128.db2.gz GYZOGWKCSZWOGR-KRWDZBQOSA-N -1 1 345.406 2.954 20 30 EFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H]1C ZINC001343893040 1332389291 /nfs/dbraw/zinc/38/92/91/1332389291.db2.gz JZFKNRFVGUCLMP-GFCCVEGCSA-N -1 1 340.431 2.883 20 30 EFEDMM CCn1ccnc1C(C#N)=C([O-])c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001345646910 1332555377 /nfs/dbraw/zinc/55/53/77/1332555377.db2.gz QNJSTSUXIBAZTN-CYBMUJFWSA-N -1 1 340.383 2.743 20 30 EFEDMM N#CC(=C([O-])c1ccc2nccnc2c1)c1nc(N)c2ccccc2n1 ZINC001346064846 1332596224 /nfs/dbraw/zinc/59/62/24/1332596224.db2.gz JSZICLOMVVLGDP-ZDUSSCGKSA-N -1 1 340.346 2.645 20 30 EFEDMM COCCn1ccc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)n1 ZINC001347391571 1332740057 /nfs/dbraw/zinc/74/00/57/1332740057.db2.gz JFXRUUUIMUXLDT-SNVBAGLBSA-N -1 1 343.774 2.549 20 30 EFEDMM O=S1(=O)[N-]/C(=N/CCC[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC001349535976 1332965915 /nfs/dbraw/zinc/96/59/15/1332965915.db2.gz SNMFFMFCNSSTNY-SECBINFHSA-N -1 1 333.240 2.699 20 30 EFEDMM CCn1ccnc1C(C#N)=C([O-])c1cnn2c1nc(C)cc2C(F)F ZINC001349701740 1332986973 /nfs/dbraw/zinc/98/69/73/1332986973.db2.gz JICJSJHQEXSYKL-SNVBAGLBSA-N -1 1 344.325 2.682 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CCC(C)C ZINC001355900084 1334901156 /nfs/dbraw/zinc/90/11/56/1334901156.db2.gz IRDYMZQQLKIQAY-UHFFFAOYSA-N -1 1 342.447 2.986 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001356455080 1335038695 /nfs/dbraw/zinc/03/86/95/1335038695.db2.gz YTCIBWWQQCFVCG-CYBMUJFWSA-N -1 1 348.476 2.528 20 30 EFEDMM CCc1nc(SCC(=O)[C@H](C#N)c2nc(C)cs2)[n-]c(=O)c1C ZINC000849921888 1335808037 /nfs/dbraw/zinc/80/80/37/1335808037.db2.gz XXYLNTDROHFQAV-JTQLQIEISA-N -1 1 348.453 2.787 20 30 EFEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001361736176 1336304446 /nfs/dbraw/zinc/30/44/46/1336304446.db2.gz HCIVEMBYIONSEV-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1cc2c(nc1NC(=O)c1cnc3ccccc3c1[O-])CCCC2 ZINC001458324363 1395447192 /nfs/dbraw/zinc/44/71/92/1395447192.db2.gz PVQYSTXQQMORFY-UHFFFAOYSA-N -1 1 344.374 2.926 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2)o1 ZINC001464066420 1396543463 /nfs/dbraw/zinc/54/34/63/1396543463.db2.gz NTQIMGNRXYHBGK-UHFFFAOYSA-N -1 1 331.180 2.937 20 30 EFEDMM CC[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001464183204 1396554033 /nfs/dbraw/zinc/55/40/33/1396554033.db2.gz UEWLQOGZEAGGBL-CYBMUJFWSA-N -1 1 343.408 2.976 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826384402 1427534783 /nfs/dbraw/zinc/53/47/83/1427534783.db2.gz UBQICCRKTIOMCG-DJWKRKHSSA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1ccc(COc2ccccc2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000822826424 1428237126 /nfs/dbraw/zinc/23/71/26/1428237126.db2.gz XNJCQUDAWLDTKQ-UHFFFAOYSA-N -1 1 343.293 2.919 20 30 EFEDMM CCCCCCCC(=O)NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000736444128 1428253847 /nfs/dbraw/zinc/25/38/47/1428253847.db2.gz DHBMLGIEQUJZHV-UHFFFAOYSA-N -1 1 331.420 2.722 20 30 EFEDMM C=C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000735402436 1428337742 /nfs/dbraw/zinc/33/77/42/1428337742.db2.gz VNOIQLIZVINFJL-UHFFFAOYSA-N -1 1 329.408 2.607 20 30 EFEDMM N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC000822833826 1428603650 /nfs/dbraw/zinc/60/36/50/1428603650.db2.gz WQUDQLFEVPUMLJ-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM CCCCCCCCCC=CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000736448069 1428638135 /nfs/dbraw/zinc/63/81/35/1428638135.db2.gz JLJVKDAXWKAVPR-NKSUMMKUSA-N -1 1 335.452 2.797 20 30 EFEDMM C=CCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735408385 1428746549 /nfs/dbraw/zinc/74/65/49/1428746549.db2.gz KJLBZRLKSBGFFU-UHFFFAOYSA-N -1 1 326.385 2.895 20 30 EFEDMM C[C@H](C#N)Oc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000824034438 1428817476 /nfs/dbraw/zinc/81/74/76/1428817476.db2.gz JRSIUHULGSYYAS-SNVBAGLBSA-N -1 1 326.385 2.831 20 30 EFEDMM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1nnc2ccccc2c1[O-] ZINC001557351965 1415121734 /nfs/dbraw/zinc/12/17/34/1415121734.db2.gz JTBDNUARRUGRBR-UHFFFAOYSA-N -1 1 344.334 2.644 20 30 EFEDMM N#CCCCOc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826381383 1428938640 /nfs/dbraw/zinc/93/86/40/1428938640.db2.gz JSRGDMIVQSDCOJ-UHFFFAOYSA-N -1 1 335.371 2.556 20 30 EFEDMM O=C(OCC#Cc1ccccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826462967 1428944578 /nfs/dbraw/zinc/94/45/78/1428944578.db2.gz OWAWMAWNDPIZSB-UHFFFAOYSA-N -1 1 338.754 2.729 20 30 EFEDMM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820329761 1428950328 /nfs/dbraw/zinc/95/03/28/1428950328.db2.gz ZQJJYVHLGDBEOU-CYBMUJFWSA-N -1 1 346.394 2.548 20 30 EFEDMM CCOc1ccc(O)c(C=NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821421774 1429282423 /nfs/dbraw/zinc/28/24/23/1429282423.db2.gz FGYOKNQEDZVAFY-GRSHGNNSSA-N -1 1 341.346 2.729 20 30 EFEDMM N#Cc1ccc([C@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384641 1429300068 /nfs/dbraw/zinc/30/00/68/1429300068.db2.gz CZOCGLVOUMWZMR-CQSZACIVSA-N -1 1 341.758 2.504 20 30 EFEDMM CC(C)CCN(CCC#N)CCOc1ccccc1-c1nnn[n-]1 ZINC000820076899 1429307856 /nfs/dbraw/zinc/30/78/56/1429307856.db2.gz WBPUDRBLWNIMAA-UHFFFAOYSA-N -1 1 328.420 2.507 20 30 EFEDMM C=CCCCN(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735408474 1429324503 /nfs/dbraw/zinc/32/45/03/1429324503.db2.gz MDEFRUAQPOEUCV-UHFFFAOYSA-N -1 1 343.431 2.840 20 30 EFEDMM CCCCCCCCNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825271721 1429342998 /nfs/dbraw/zinc/34/29/98/1429342998.db2.gz NDIKPCGDXHFBJU-UHFFFAOYSA-N -1 1 331.420 2.722 20 30 EFEDMM CCc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825704416 1429392432 /nfs/dbraw/zinc/39/24/32/1429392432.db2.gz HFTSQZYBSNVFIR-UHFFFAOYSA-N -1 1 327.779 2.924 20 30 EFEDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C)(C#N)CC1 ZINC000826304436 1429451524 /nfs/dbraw/zinc/45/15/24/1429451524.db2.gz LALFVPIDQBXTDB-UHFFFAOYSA-N -1 1 333.399 2.853 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)cnc12 ZINC000826307987 1429451605 /nfs/dbraw/zinc/45/16/05/1429451605.db2.gz DOGPFHHVYFDOHB-PLNGDYQASA-N -1 1 336.380 2.780 20 30 EFEDMM N#Cc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000737730009 1423288363 /nfs/dbraw/zinc/28/83/63/1423288363.db2.gz CPIFHMNYXSIFKZ-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1COc1c(C)cc(C#N)cc1C ZINC000826173191 1423330688 /nfs/dbraw/zinc/33/06/88/1423330688.db2.gz REJNLLRPOQYFRR-UHFFFAOYSA-N -1 1 335.367 2.943 20 30 EFEDMM Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c(C)o1 ZINC000826266477 1423402988 /nfs/dbraw/zinc/40/29/88/1423402988.db2.gz PTRVBMGJVIQXHP-UHFFFAOYSA-N -1 1 329.364 2.709 20 30 EFEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825267634 1423500731 /nfs/dbraw/zinc/50/07/31/1423500731.db2.gz LCMLXSRLNWYXJQ-AWEZNQCLSA-N -1 1 348.382 2.916 20 30 EFEDMM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381793 1423703969 /nfs/dbraw/zinc/70/39/69/1423703969.db2.gz ZZQFKUFYGPJZRN-ZDUSSCGKSA-N -1 1 348.362 2.797 20 30 EFEDMM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(C)c1F ZINC000826260440 1423768521 /nfs/dbraw/zinc/76/85/21/1423768521.db2.gz OAEZTIUZXOSJDA-UHFFFAOYSA-N -1 1 336.330 2.747 20 30 EFEDMM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000823862161 1423913581 /nfs/dbraw/zinc/91/35/81/1423913581.db2.gz ZBZHBNSGNKZVAX-UHFFFAOYSA-N -1 1 331.379 2.823 20 30 EFEDMM N#Cc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737709343 1423919454 /nfs/dbraw/zinc/91/94/54/1423919454.db2.gz NAPKUALUFVBQTE-UHFFFAOYSA-N -1 1 338.758 2.573 20 30 EFEDMM CC(=O)c1ccc(-c2nnn[n-]2)c(N(C)Cc2cccc(C#N)c2)c1 ZINC000824010915 1423943732 /nfs/dbraw/zinc/94/37/32/1423943732.db2.gz UKRAXZSUDQTTRA-UHFFFAOYSA-N -1 1 332.367 2.577 20 30 EFEDMM N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000822822884 1424249367 /nfs/dbraw/zinc/24/93/67/1424249367.db2.gz GLBDMBKGRYHWNX-UHFFFAOYSA-N -1 1 342.315 2.937 20 30 EFEDMM C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495586 1424318993 /nfs/dbraw/zinc/31/89/93/1424318993.db2.gz IITFQJCKXHMBPI-GFCCVEGCSA-N -1 1 333.351 2.585 20 30 EFEDMM C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380134 1424770035 /nfs/dbraw/zinc/77/00/35/1424770035.db2.gz LUXKJKJAYBOIAK-LLVKDONJSA-N -1 1 333.355 2.621 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826190763 1424932042 /nfs/dbraw/zinc/93/20/42/1424932042.db2.gz MKLXVBVCPLQJFR-RQOWECAXSA-N -1 1 330.344 2.972 20 30 EFEDMM Fc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c2ncccc2c1 ZINC000822748341 1424946477 /nfs/dbraw/zinc/94/64/77/1424946477.db2.gz UYSABBBBZOOHLD-UHFFFAOYSA-N -1 1 347.357 2.678 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C#N)cc1 ZINC000823954090 1424971110 /nfs/dbraw/zinc/97/11/10/1424971110.db2.gz YUMXWMFZXBSERQ-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C#N)cc1 ZINC000823954090 1424971112 /nfs/dbraw/zinc/97/11/12/1424971112.db2.gz YUMXWMFZXBSERQ-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C#N)cc1 ZINC000823954090 1424971118 /nfs/dbraw/zinc/97/11/18/1424971118.db2.gz YUMXWMFZXBSERQ-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819739611 1425043001 /nfs/dbraw/zinc/04/30/01/1425043001.db2.gz AQOHCCSENDDPPX-LBPRGKRZSA-N -1 1 329.429 2.548 20 30 EFEDMM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820054535 1425048541 /nfs/dbraw/zinc/04/85/41/1425048541.db2.gz AVLZWGOFTFTVTD-LBPRGKRZSA-N -1 1 342.403 2.518 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@H](C)SC ZINC000823909385 1425075863 /nfs/dbraw/zinc/07/58/63/1425075863.db2.gz BADNJDGJBNZPEG-ZDUSSCGKSA-N -1 1 345.472 2.913 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000819772736 1425109859 /nfs/dbraw/zinc/10/98/59/1425109859.db2.gz KSJSDOXCYUKDAL-UHFFFAOYSA-N -1 1 328.326 2.659 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203926 1425152299 /nfs/dbraw/zinc/15/22/99/1425152299.db2.gz WQSXRPYUPRIVNJ-SREVYHEPSA-N -1 1 325.397 2.880 20 30 EFEDMM CN(C)c1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736773846 1425169595 /nfs/dbraw/zinc/16/95/95/1425169595.db2.gz PYJJJCTZNALFIF-UHFFFAOYSA-N -1 1 325.351 2.518 20 30 EFEDMM Cc1c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cccc1-c1nnn[n-]1 ZINC000826242258 1425190333 /nfs/dbraw/zinc/19/03/33/1425190333.db2.gz HKDQMSMTSYJVSG-UHFFFAOYSA-N -1 1 344.378 2.983 20 30 EFEDMM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399890 1425238923 /nfs/dbraw/zinc/23/89/23/1425238923.db2.gz JCHMJMOGNXVZJX-RJRFIUFISA-N -1 1 346.268 2.886 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399890 1425238931 /nfs/dbraw/zinc/23/89/31/1425238931.db2.gz JCHMJMOGNXVZJX-RJRFIUFISA-N -1 1 346.268 2.886 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399890 1425238936 /nfs/dbraw/zinc/23/89/36/1425238936.db2.gz JCHMJMOGNXVZJX-RJRFIUFISA-N -1 1 346.268 2.886 20 30 EFEDMM N#Cc1cccc(SCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000822837689 1425265431 /nfs/dbraw/zinc/26/54/31/1425265431.db2.gz RZZMZJXIRAAHFQ-UHFFFAOYSA-N -1 1 342.409 2.531 20 30 EFEDMM CCOc1cccc(C=NCc2cc(-c3nnn[n-]3)ccc2F)c1O ZINC000821427386 1425295346 /nfs/dbraw/zinc/29/53/46/1425295346.db2.gz RVEIXYBIQCJHOA-DJKKODMXSA-N -1 1 341.346 2.729 20 30 EFEDMM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403610 1425356925 /nfs/dbraw/zinc/35/69/25/1425356925.db2.gz XDKDTJSYPBHXEK-ALCCZGGFSA-N -1 1 334.314 2.550 20 30 EFEDMM Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822016279 1425454291 /nfs/dbraw/zinc/45/42/91/1425454291.db2.gz WTAKPVRYQJZCOI-LBPRGKRZSA-N -1 1 347.382 2.930 20 30 EFEDMM N#Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716201 1425500643 /nfs/dbraw/zinc/50/06/43/1425500643.db2.gz MCPMYEIZEILRGQ-ZDUSSCGKSA-N -1 1 344.378 2.797 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)SC ZINC000823909962 1425582913 /nfs/dbraw/zinc/58/29/13/1425582913.db2.gz UJZLRKBNZUXXGC-LBPRGKRZSA-N -1 1 331.445 2.523 20 30 EFEDMM N#Cc1ccc(OCCNc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822833876 1425625254 /nfs/dbraw/zinc/62/52/54/1425625254.db2.gz YTUFRNSTKMLZNM-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1O ZINC000821703059 1425718178 /nfs/dbraw/zinc/71/81/78/1425718178.db2.gz MVYASJGETRWYIR-ZZXKWVIFSA-N -1 1 328.353 2.539 20 30 EFEDMM CN(CCC#N)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825914770 1425771032 /nfs/dbraw/zinc/77/10/32/1425771032.db2.gz NHAOHKLXMCPJPQ-UHFFFAOYSA-N -1 1 348.366 2.645 20 30 EFEDMM Cc1c(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC000822091351 1425774297 /nfs/dbraw/zinc/77/42/97/1425774297.db2.gz QALJHMWPMNHSQV-LBPRGKRZSA-N -1 1 347.382 2.930 20 30 EFEDMM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736351318 1425840933 /nfs/dbraw/zinc/84/09/33/1425840933.db2.gz FKWMDGZBQKIVMO-CQSZACIVSA-N -1 1 346.394 2.946 20 30 EFEDMM C#CCOc1ccccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000819709786 1425855339 /nfs/dbraw/zinc/85/53/39/1425855339.db2.gz PCJPRVUYKGFNRE-UHFFFAOYSA-N -1 1 345.362 2.710 20 30 EFEDMM C=CCCOc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819740069 1425870431 /nfs/dbraw/zinc/87/04/31/1425870431.db2.gz NLDSEXCVTJTHEE-UHFFFAOYSA-N -1 1 325.166 2.593 20 30 EFEDMM Cc1ccnc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826309978 1425881561 /nfs/dbraw/zinc/88/15/61/1425881561.db2.gz HZJPVDRIYWBSAY-HOTGVXAUSA-N -1 1 345.410 2.846 20 30 EFEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823903976 1425912098 /nfs/dbraw/zinc/91/20/98/1425912098.db2.gz PTHPWOSSPSWBPN-UHFFFAOYSA-N -1 1 345.712 2.711 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCCc2ccc(F)cc2)o1 ZINC000819966132 1425920102 /nfs/dbraw/zinc/92/01/02/1425920102.db2.gz XJCHOTKLSQOTCR-UHFFFAOYSA-N -1 1 343.366 2.932 20 30 EFEDMM C=CCSCCNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000819759060 1425991532 /nfs/dbraw/zinc/99/15/32/1425991532.db2.gz MZSCSMFCVRKTGM-UHFFFAOYSA-N -1 1 344.419 2.615 20 30 EFEDMM COc1ccc(C=NNc2cccc3ncccc32)cc1-c1nnn[n-]1 ZINC000737081816 1426169713 /nfs/dbraw/zinc/16/97/13/1426169713.db2.gz CGFSNYXWFMPFEN-UHFFFAOYSA-N -1 1 345.366 2.870 20 30 EFEDMM C#C[C@H](C)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819689297 1426312465 /nfs/dbraw/zinc/31/24/65/1426312465.db2.gz YQCOJILLGNCLOH-ZDUSSCGKSA-N -1 1 348.362 2.624 20 30 EFEDMM C=CCC[C@H](OC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894893 1426329470 /nfs/dbraw/zinc/32/94/70/1426329470.db2.gz ZDVZRWKRNGDEEN-WBMJQRKESA-N -1 1 342.399 2.922 20 30 EFEDMM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(O)cc1 ZINC000825028305 1426412425 /nfs/dbraw/zinc/41/24/25/1426412425.db2.gz GVPBJGYQPKTYDK-UHFFFAOYSA-N -1 1 343.778 2.847 20 30 EFEDMM COc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000826210075 1426454254 /nfs/dbraw/zinc/45/42/54/1426454254.db2.gz CTOBSQTUTAZGKM-UHFFFAOYSA-N -1 1 333.355 2.803 20 30 EFEDMM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953476 1426480310 /nfs/dbraw/zinc/48/03/10/1426480310.db2.gz BWTWIENBWAVSFA-UHFFFAOYSA-N -1 1 334.355 2.720 20 30 EFEDMM COc1cc(F)cc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821720592 1426486849 /nfs/dbraw/zinc/48/68/49/1426486849.db2.gz VWQRJVALOHWISM-UHFFFAOYSA-N -1 1 330.298 2.600 20 30 EFEDMM Cc1ccccc1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822350403 1426643791 /nfs/dbraw/zinc/64/37/91/1426643791.db2.gz CQWPORGSDABOOJ-UHFFFAOYSA-N -1 1 332.367 2.979 20 30 EFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826380401 1426698945 /nfs/dbraw/zinc/69/89/45/1426698945.db2.gz ZJSXVSVANUJOFE-GDBMZVCRSA-N -1 1 331.383 2.538 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000826384385 1426791469 /nfs/dbraw/zinc/79/14/69/1426791469.db2.gz SQKUHNNRRNJWCB-UTCJRWHESA-N -1 1 337.289 2.913 20 30 EFEDMM O=C1c2cccc(O)c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504916 1426811109 /nfs/dbraw/zinc/81/11/09/1426811109.db2.gz VNDKGOMEQABUFJ-DHZHZOJOSA-N -1 1 336.326 2.924 20 30 EFEDMM COc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826221520 1426824096 /nfs/dbraw/zinc/82/40/96/1426824096.db2.gz JIXJMAIWLBLYDN-SNAWJCMRSA-N -1 1 330.344 2.972 20 30 EFEDMM C[C@H](Nc1cc(C#N)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137174 1426899429 /nfs/dbraw/zinc/89/94/29/1426899429.db2.gz IOLMYTUJWIOSKS-LBPRGKRZSA-N -1 1 341.378 2.882 20 30 EFEDMM C=CCOCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000819759036 1426912140 /nfs/dbraw/zinc/91/21/40/1426912140.db2.gz MBDZEPFZEPFQBB-UHFFFAOYSA-N -1 1 345.403 2.575 20 30 EFEDMM Clc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC000822574394 1426915113 /nfs/dbraw/zinc/91/51/13/1426915113.db2.gz UEMSRPNEYCFYFS-UHFFFAOYSA-N -1 1 337.170 2.890 20 30 EFEDMM N#CCC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381696 1426958360 /nfs/dbraw/zinc/95/83/60/1426958360.db2.gz VMEMNHGYFDUGAM-QGZVFWFLSA-N -1 1 346.394 2.570 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401163 1427007293 /nfs/dbraw/zinc/00/72/93/1427007293.db2.gz RFBZKCHJXSUKOI-FPYGCLRLSA-N -1 1 339.286 2.810 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737703269 1427137340 /nfs/dbraw/zinc/13/73/40/1427137340.db2.gz AXEAGGZUYOJAJN-HZPDHXFCSA-N -1 1 336.399 2.893 20 30 EFEDMM O=C(OCC#Cc1ccc(Cl)cc1)c1sccc1-c1nnn[n-]1 ZINC000823396045 1427158505 /nfs/dbraw/zinc/15/85/05/1427158505.db2.gz DHOWQFVTOUHCEK-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612235 1427162255 /nfs/dbraw/zinc/16/22/55/1427162255.db2.gz LFTOUDCNFSSYJP-SNVBAGLBSA-N -1 1 340.337 2.867 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=CC(C)(C)C ZINC000735419239 1427293998 /nfs/dbraw/zinc/29/39/98/1427293998.db2.gz QUYBANLEPBPDOY-MDZDMXLPSA-N -1 1 325.416 2.984 20 30 EFEDMM C=CCCOCCCCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823898975 1427301931 /nfs/dbraw/zinc/30/19/31/1427301931.db2.gz GWQNZVLCKVKMNR-CQSZACIVSA-N -1 1 343.431 2.807 20 30 EFEDMM N#CC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCCC1 ZINC000822802374 1427331060 /nfs/dbraw/zinc/33/10/60/1427331060.db2.gz ZRJZGLYBDDOYSH-UHFFFAOYSA-N -1 1 342.428 2.829 20 30 EFEDMM C=CCCCOC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000735413551 1427436908 /nfs/dbraw/zinc/43/69/08/1427436908.db2.gz WQUBTPBTNVMKCR-UHFFFAOYSA-N -1 1 347.444 2.788 20 30 EFEDMM FC(F)(F)c1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC000822728303 1427527143 /nfs/dbraw/zinc/52/71/43/1427527143.db2.gz GBLTYAJWYSUUIN-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM CCNc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821309670 1427767983 /nfs/dbraw/zinc/76/79/83/1427767983.db2.gz QMUDHLUKDPMGIK-UHFFFAOYSA-N -1 1 337.362 2.921 20 30 EFEDMM C=CCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cccc(C#N)c1 ZINC000823914705 1427774200 /nfs/dbraw/zinc/77/42/00/1427774200.db2.gz MEOYKORJMZYDLC-UHFFFAOYSA-N -1 1 336.424 2.988 20 30 EFEDMM C(=NNCc1cnc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000819718579 1427797389 /nfs/dbraw/zinc/79/73/89/1427797389.db2.gz KQRJYHPTTHTTID-UHFFFAOYSA-N -1 1 329.367 2.539 20 30 EFEDMM Cc1cc(C)n(N=CC[C@@H](C)c2ccccc2)c(=O)c1-c1nnn[n-]1 ZINC000826265000 1427921807 /nfs/dbraw/zinc/92/18/07/1427921807.db2.gz ITBXJOCTYRGLKQ-GFCCVEGCSA-N -1 1 336.399 2.673 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819759023 1427945593 /nfs/dbraw/zinc/94/55/93/1427945593.db2.gz LHUUKNXGLYJYGW-UHFFFAOYSA-N -1 1 327.369 2.745 20 30 EFEDMM CCc1nnc(Sc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1CC ZINC000821548013 1428065778 /nfs/dbraw/zinc/06/57/78/1428065778.db2.gz GEYSFKSMVTUYFY-UHFFFAOYSA-N -1 1 337.412 2.804 20 30 EFEDMM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000736150403 1429800465 /nfs/dbraw/zinc/80/04/65/1429800465.db2.gz NOBBVMTWKYJXBT-CYBMUJFWSA-N -1 1 347.378 2.975 20 30 EFEDMM C=CCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819751024 1429937688 /nfs/dbraw/zinc/93/76/88/1429937688.db2.gz MDLQWFKVDJFPBN-UHFFFAOYSA-N -1 1 337.408 2.934 20 30 EFEDMM C=CCC(CC=C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000819734378 1430014527 /nfs/dbraw/zinc/01/45/27/1430014527.db2.gz NGPIRTYHEBDOSD-UHFFFAOYSA-N -1 1 329.408 2.525 20 30 EFEDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(CC#N)CC1 ZINC000826304598 1430103377 /nfs/dbraw/zinc/10/33/77/1430103377.db2.gz RDHHAMMONJZNHA-UHFFFAOYSA-N -1 1 333.399 2.853 20 30 EFEDMM C#Cc1cccc(NC(=S)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391329 1441458474 /nfs/dbraw/zinc/45/84/74/1441458474.db2.gz PQHMBWNBXLLVEU-GFCCVEGCSA-N -1 1 348.435 2.896 20 30 EFEDMM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736059876 1441489928 /nfs/dbraw/zinc/48/99/28/1441489928.db2.gz XKUBRTQFKSFRRI-LBPRGKRZSA-N -1 1 332.367 2.556 20 30 EFEDMM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825829623 1441561608 /nfs/dbraw/zinc/56/16/08/1441561608.db2.gz HQKAUHZXQHHOER-UHFFFAOYSA-N -1 1 344.378 2.698 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000822928594 1441693963 /nfs/dbraw/zinc/69/39/63/1441693963.db2.gz KVNNHYVQUAKDDY-GQCTYLIASA-N -1 1 327.325 2.733 20 30 EFEDMM COc1ccc(C=CC(=O)c2cnc3[nH]cccc2-3)cc1-c1nnn[n-]1 ZINC000821787058 1441696329 /nfs/dbraw/zinc/69/63/29/1441696329.db2.gz NOLQFDYBTSKNNN-XQRVVYSFSA-N -1 1 346.350 2.648 20 30 EFEDMM N#CCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000822805898 1441696587 /nfs/dbraw/zinc/69/65/87/1441696587.db2.gz GRMSAIPDJHRWLH-UHFFFAOYSA-N -1 1 342.359 2.628 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819729511 1441785102 /nfs/dbraw/zinc/78/51/02/1441785102.db2.gz IEAJQPIREQNHAF-CYBMUJFWSA-N -1 1 349.394 2.750 20 30 EFEDMM CC[C@@H]1CCC[C@@H](C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)C1 ZINC000825195348 1441803293 /nfs/dbraw/zinc/80/32/93/1441803293.db2.gz WGWDTEXKVVWRFN-ZIAGYGMSSA-N -1 1 328.420 2.696 20 30 EFEDMM C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612007 1441835698 /nfs/dbraw/zinc/83/56/98/1441835698.db2.gz HSFIDDSHKCQCPV-SNVBAGLBSA-N -1 1 340.337 2.867 20 30 EFEDMM Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822224848 1441923110 /nfs/dbraw/zinc/92/31/10/1441923110.db2.gz CLGPXMCNZYIHKV-LBPRGKRZSA-N -1 1 347.382 2.930 20 30 EFEDMM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475369 1441930909 /nfs/dbraw/zinc/93/09/09/1441930909.db2.gz DBUYJDYWFRNHKB-YHYXMXQVSA-N -1 1 340.289 2.804 20 30 EFEDMM N#Cc1ccc(-c2ccn(Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000737711129 1441942428 /nfs/dbraw/zinc/94/24/28/1441942428.db2.gz ZVTAGLYRNYPZMC-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM Cc1nc(C)c(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)s1 ZINC000737474803 1441959203 /nfs/dbraw/zinc/95/92/03/1441959203.db2.gz VBZHXVGBJZRVCA-UHFFFAOYSA-N -1 1 346.420 2.573 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000822829795 1442021313 /nfs/dbraw/zinc/02/13/13/1442021313.db2.gz JQDVQJVZXNEONM-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM CC1(C#N)CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000824776558 1442043879 /nfs/dbraw/zinc/04/38/79/1442043879.db2.gz CKYDJYNERMKIFK-UHFFFAOYSA-N -1 1 347.220 2.759 20 30 EFEDMM N#C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000826380188 1442112773 /nfs/dbraw/zinc/11/27/73/1442112773.db2.gz QIKNTTWTNCZXNH-SNGWPZLWSA-N -1 1 337.383 2.896 20 30 EFEDMM CC(C)CCN(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735803727 1442138252 /nfs/dbraw/zinc/13/82/52/1442138252.db2.gz JCHADOXALGKLSS-HJWRWDBZSA-N -1 1 338.415 2.668 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc3[nH]ccc32)o1 ZINC000824353147 1442142236 /nfs/dbraw/zinc/14/22/36/1442142236.db2.gz YVGJHJDFXAYENI-UHFFFAOYSA-N -1 1 336.359 2.905 20 30 EFEDMM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825106406 1442285074 /nfs/dbraw/zinc/28/50/74/1442285074.db2.gz BPSAVIVBACFXBX-UHFFFAOYSA-N -1 1 340.431 2.967 20 30 EFEDMM N#CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000826381581 1442374706 /nfs/dbraw/zinc/37/47/06/1442374706.db2.gz QYVWJIUUDXFLLH-ZDUSSCGKSA-N -1 1 338.396 2.703 20 30 EFEDMM C=CCC(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000819734095 1442391660 /nfs/dbraw/zinc/39/16/60/1442391660.db2.gz IHPASSXYQDGOHQ-UHFFFAOYSA-N -1 1 327.388 2.972 20 30 EFEDMM C=C[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883722 1442414886 /nfs/dbraw/zinc/41/48/86/1442414886.db2.gz ZAZDEUYCKFARNG-AWEZNQCLSA-N -1 1 335.367 2.665 20 30 EFEDMM CC(N=Nc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450905 1443079680 /nfs/dbraw/zinc/07/96/80/1443079680.db2.gz JKDYYLFNBDPFFB-UHFFFAOYSA-N -1 1 330.355 2.646 20 30 EFEDMM CC(=NNc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450905 1443079683 /nfs/dbraw/zinc/07/96/83/1443079683.db2.gz JKDYYLFNBDPFFB-UHFFFAOYSA-N -1 1 330.355 2.646 20 30 EFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000822800903 1443139160 /nfs/dbraw/zinc/13/91/60/1443139160.db2.gz APZHJRIIUAWMGR-HZPDHXFCSA-N -1 1 331.383 2.538 20 30 EFEDMM N#C[C@H](COC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1cccs1 ZINC000826379752 1443187137 /nfs/dbraw/zinc/18/71/37/1443187137.db2.gz AJBQJUOXDLZHPE-SECBINFHSA-N -1 1 345.409 2.529 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826401010 1443299594 /nfs/dbraw/zinc/29/95/94/1443299594.db2.gz NBJRSDGFOLEZBP-ALCCZGGFSA-N -1 1 339.286 2.810 20 30 EFEDMM CC[C@H]1C[C@@H](CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184384 1443352766 /nfs/dbraw/zinc/35/27/66/1443352766.db2.gz SVWQUSHKUZNWCA-QWRGUYRKSA-N -1 1 333.396 2.581 20 30 EFEDMM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400958 1443381376 /nfs/dbraw/zinc/38/13/76/1443381376.db2.gz LYYLDXRHWBTWMO-KTAJNNJTSA-N -1 1 329.722 2.950 20 30 EFEDMM C[C@]1(C#N)CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000824776544 1443414979 /nfs/dbraw/zinc/41/49/79/1443414979.db2.gz CHVLACNNHMNQOW-CQSZACIVSA-N -1 1 347.220 2.759 20 30 EFEDMM Cc1cc(Cl)cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1O ZINC000826267684 1443438554 /nfs/dbraw/zinc/43/85/54/1443438554.db2.gz QHGMVQROVOHQGJ-UHFFFAOYSA-N -1 1 342.790 2.658 20 30 EFEDMM C[C@@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735505580 1443439488 /nfs/dbraw/zinc/43/94/88/1443439488.db2.gz RKFKGNHEPCLEOK-LBPRGKRZSA-N -1 1 349.350 2.515 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000825807669 1443487369 /nfs/dbraw/zinc/48/73/69/1443487369.db2.gz UMZREGHKMTWOJN-SOFGYWHQSA-N -1 1 340.362 2.735 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735503047 1443497502 /nfs/dbraw/zinc/49/75/02/1443497502.db2.gz GKPFUAXQJCENHH-NSHDSACASA-N -1 1 334.339 2.757 20 30 EFEDMM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822767021 1443510508 /nfs/dbraw/zinc/51/05/08/1443510508.db2.gz TXUZJTTYDMFUJL-UHFFFAOYSA-N -1 1 330.754 2.783 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCO2 ZINC000822921920 1443577445 /nfs/dbraw/zinc/57/74/45/1443577445.db2.gz AIQSIYFMFRWNOM-DUXPYHPUSA-N -1 1 326.337 2.553 20 30 EFEDMM CC(=NNCCc1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823954076 1443612081 /nfs/dbraw/zinc/61/20/81/1443612081.db2.gz YIWQIUAGDILVAC-UHFFFAOYSA-N -1 1 330.392 2.624 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cnc12 ZINC000826308430 1443633192 /nfs/dbraw/zinc/63/31/92/1443633192.db2.gz YZAVVQITHZIBBO-FNORWQNLSA-N -1 1 348.341 2.858 20 30 EFEDMM C(=NOCCCOc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735399921 1443700279 /nfs/dbraw/zinc/70/02/79/1443700279.db2.gz OGSBCLBBLOKPGB-UHFFFAOYSA-N -1 1 329.385 2.748 20 30 EFEDMM C#CCCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735375247 1443702882 /nfs/dbraw/zinc/70/28/82/1443702882.db2.gz WIDVTPOAWBKHIJ-UHFFFAOYSA-N -1 1 334.335 2.839 20 30 EFEDMM CCOc1cccc(C=NCc2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000736654658 1443784301 /nfs/dbraw/zinc/78/43/01/1443784301.db2.gz LRWNSXCGYMJRGG-GRSHGNNSSA-N -1 1 341.346 2.729 20 30 EFEDMM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825879173 1443848705 /nfs/dbraw/zinc/84/87/05/1443848705.db2.gz ISMSLYYAGSHGLA-BJMVGYQFSA-N -1 1 337.358 2.968 20 30 EFEDMM O=C1c2cc(F)ccc2OC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504980 1443858240 /nfs/dbraw/zinc/85/82/40/1443858240.db2.gz WNNRGLUSSANYHU-NSIKDUERSA-N -1 1 326.262 2.761 20 30 EFEDMM C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735387842 1443873631 /nfs/dbraw/zinc/87/36/31/1443873631.db2.gz HSVJOHFNWDWCLS-CYBMUJFWSA-N -1 1 348.362 2.797 20 30 EFEDMM CC(=NNc1cnnc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000735450942 1443894740 /nfs/dbraw/zinc/89/47/40/1443894740.db2.gz KWIWUFZSVXXOLZ-UHFFFAOYSA-N -1 1 330.355 2.646 20 30 EFEDMM C[C@H]1Cc2ccccc2C1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825012442 1443940048 /nfs/dbraw/zinc/94/00/48/1443940048.db2.gz JFFMHSMCZRSRMQ-VIFPVBQESA-N -1 1 339.790 2.924 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1ncc(Cl)c1C ZINC000823914139 1443957562 /nfs/dbraw/zinc/95/75/62/1443957562.db2.gz BFOLUAOXEZJLOF-UHFFFAOYSA-N -1 1 343.822 2.671 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)COC2 ZINC000822922927 1443959822 /nfs/dbraw/zinc/95/98/22/1443959822.db2.gz LADSHQXBPCUBPD-WAYWQWQTSA-N -1 1 336.326 2.932 20 30 EFEDMM C=C(CC)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000823878062 1443984771 /nfs/dbraw/zinc/98/47/71/1443984771.db2.gz NFRUWQCXTIEAKK-UHFFFAOYSA-N -1 1 327.344 2.682 20 30 EFEDMM C=CCCO[C@@H](C)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000735416400 1444027368 /nfs/dbraw/zinc/02/73/68/1444027368.db2.gz IMJGEAZIEYWSIF-VIFPVBQESA-N -1 1 335.433 2.719 20 30 EFEDMM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400540 1446302246 /nfs/dbraw/zinc/30/22/46/1446302246.db2.gz BAMUDCGDOIFLJF-PLNGDYQASA-N -1 1 340.364 2.596 20 30 EFEDMM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC000822823076 1446371085 /nfs/dbraw/zinc/37/10/85/1446371085.db2.gz JZKKEOBHJMPCQW-UHFFFAOYSA-N -1 1 327.351 2.899 20 30 EFEDMM C=C(C)CCOC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819722190 1446471815 /nfs/dbraw/zinc/47/18/15/1446471815.db2.gz BOHQNBLPKWNVRT-UHFFFAOYSA-N -1 1 330.388 2.925 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(-c3cccnc3)c2)o1 ZINC000822424700 1446507393 /nfs/dbraw/zinc/50/73/93/1446507393.db2.gz ZSQOISZVDURXAC-UHFFFAOYSA-N -1 1 346.354 2.671 20 30 EFEDMM CC[C@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825039805 1446600590 /nfs/dbraw/zinc/60/05/90/1446600590.db2.gz WLLIBGWUPRIWAP-GFCCVEGCSA-N -1 1 348.366 2.691 20 30 EFEDMM CCN(CCC#N)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825419233 1446622765 /nfs/dbraw/zinc/62/27/65/1446622765.db2.gz LWZQJBXIYBNOTC-UHFFFAOYSA-N -1 1 339.186 2.549 20 30 EFEDMM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1 ZINC000820508001 1446632757 /nfs/dbraw/zinc/63/27/57/1446632757.db2.gz KZAKEUYQRIMREL-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820056804 1446672217 /nfs/dbraw/zinc/67/22/17/1446672217.db2.gz SNSUIOCHLURMOJ-GFCCVEGCSA-N -1 1 342.403 2.518 20 30 EFEDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400684 1446751150 /nfs/dbraw/zinc/75/11/50/1446751150.db2.gz FDMFEPNCBFELSH-DAXSKMNVSA-N -1 1 339.286 2.810 20 30 EFEDMM Fc1cccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c1F ZINC000826376830 1446922472 /nfs/dbraw/zinc/92/24/72/1446922472.db2.gz UNOAWCFHUCTXRE-UHFFFAOYSA-N -1 1 335.705 2.639 20 30 EFEDMM Cc1c2c(nc(SCc3ccnc(C#N)c3)c1-c1nnn[n-]1)CCC2 ZINC000826243075 1446937056 /nfs/dbraw/zinc/93/70/56/1446937056.db2.gz SLZFRCMABATHIR-UHFFFAOYSA-N -1 1 349.423 2.618 20 30 EFEDMM C[C@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735505676 1446992946 /nfs/dbraw/zinc/99/29/46/1446992946.db2.gz SDUOTPPPLQJFBI-GFCCVEGCSA-N -1 1 349.350 2.515 20 30 EFEDMM FC(F)(F)c1cc(NN=Cc2ccccn2)ccc1-c1nn[n-]n1 ZINC000737634251 1447001746 /nfs/dbraw/zinc/00/17/46/1447001746.db2.gz ZTNUUTRIARMLBR-UHFFFAOYSA-N -1 1 333.277 2.727 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC000826384608 1447130916 /nfs/dbraw/zinc/13/09/16/1447130916.db2.gz CEKAIVGKMRYNBP-GQCTYLIASA-N -1 1 337.289 2.913 20 30 EFEDMM Cc1nn(-c2ccccc2)cc1C=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826332747 1447145593 /nfs/dbraw/zinc/14/55/93/1447145593.db2.gz GHMBQOWNJCWKJZ-UHFFFAOYSA-N -1 1 344.382 2.807 20 30 EFEDMM CC(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000824261100 1449070677 /nfs/dbraw/zinc/07/06/77/1449070677.db2.gz AEESRJIJEFVLRZ-UHFFFAOYSA-N -1 1 347.426 2.792 20 30 EFEDMM CC(N=Nc1nc(-c2ccccc2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451236 1449120390 /nfs/dbraw/zinc/12/03/90/1449120390.db2.gz VKLGLHBBLIHVCL-UHFFFAOYSA-N -1 1 346.354 2.753 20 30 EFEDMM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820497996 1449165930 /nfs/dbraw/zinc/16/59/30/1449165930.db2.gz XPTQGMZTNKMARU-GFCCVEGCSA-N -1 1 333.351 2.585 20 30 EFEDMM CCCC(C#N)(CCC)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821009638 1449166243 /nfs/dbraw/zinc/16/62/43/1449166243.db2.gz XHQKKJQUNCLXIH-UHFFFAOYSA-N -1 1 348.357 2.737 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2[C@@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000820198001 1449273682 /nfs/dbraw/zinc/27/36/82/1449273682.db2.gz QLRSTGLGQLVAAK-CABZTGNLSA-N -1 1 345.407 2.581 20 30 EFEDMM O=C(C=Cc1ccc(O)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400985 1449279778 /nfs/dbraw/zinc/27/97/78/1449279778.db2.gz MQHCVPWAPCTUMJ-ORCRQEGFSA-N -1 1 328.278 2.747 20 30 EFEDMM C#C[C@H](C)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819688257 1449312413 /nfs/dbraw/zinc/31/24/13/1449312413.db2.gz DXJVNWNQZYYLNR-ZDUSSCGKSA-N -1 1 348.362 2.624 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736310078 1449313832 /nfs/dbraw/zinc/31/38/32/1449313832.db2.gz ULCACTCAZJIYCT-CQSZACIVSA-N -1 1 335.371 2.555 20 30 EFEDMM C=CCCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823888310 1449409664 /nfs/dbraw/zinc/40/96/64/1449409664.db2.gz IRGHQQGFDXLJDS-UHFFFAOYSA-N -1 1 343.778 2.611 20 30 EFEDMM C#CCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819698161 1449445599 /nfs/dbraw/zinc/44/55/99/1449445599.db2.gz SWWLJZMZGWYXLN-CYBMUJFWSA-N -1 1 338.415 2.515 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504847 1449505396 /nfs/dbraw/zinc/50/53/96/1449505396.db2.gz VIHNRCVHGXOSAU-JYRVWZFOSA-N -1 1 347.334 2.987 20 30 EFEDMM N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000826384740 1449553933 /nfs/dbraw/zinc/55/39/33/1449553933.db2.gz HQMMMHZWBSSEPV-UHFFFAOYSA-N -1 1 345.771 2.810 20 30 EFEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826178311 1449683555 /nfs/dbraw/zinc/68/35/55/1449683555.db2.gz SCNYVPIEPKLEMR-HJWRWDBZSA-N -1 1 335.367 2.783 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)Cc2ccc(Cl)cc2)o1 ZINC000824457058 1449739107 /nfs/dbraw/zinc/73/91/07/1449739107.db2.gz DCVHCKORJUCNMI-UHFFFAOYSA-N -1 1 331.767 2.847 20 30 EFEDMM C=C(Br)CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823874792 1449911591 /nfs/dbraw/zinc/91/15/91/1449911591.db2.gz YYIHWTKFPDOAGH-UHFFFAOYSA-N -1 1 346.232 2.864 20 30 EFEDMM CC(N=Nc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962143 1449924042 /nfs/dbraw/zinc/92/40/42/1449924042.db2.gz GGRFFISKUBIFPI-UHFFFAOYSA-N -1 1 336.384 2.708 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CN(CCC#N)CC(C)(C)C ZINC000826168737 1449928354 /nfs/dbraw/zinc/92/83/54/1449928354.db2.gz WWUYRYDOXMVFIJ-UHFFFAOYSA-N -1 1 328.420 2.637 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(F)c2F)o1 ZINC000735939893 1450088714 /nfs/dbraw/zinc/08/87/14/1450088714.db2.gz VJTCBXJHJGWNFO-UHFFFAOYSA-N -1 1 333.302 2.702 20 30 EFEDMM N#Cc1cc(NC(=O)c2cccc3cnccc32)ccc1-c1nn[n-]n1 ZINC000822823090 1450133632 /nfs/dbraw/zinc/13/36/32/1450133632.db2.gz KTWNXXGZCOSMQQ-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM N#Cc1ccc(NC(=O)CCCc2ccccc2)cc1-c1nnn[n-]1 ZINC000737715690 1450138086 /nfs/dbraw/zinc/13/80/86/1450138086.db2.gz DUBATMOVRDFOKI-UHFFFAOYSA-N -1 1 332.367 2.700 20 30 EFEDMM C=CCOc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735435873 1450169785 /nfs/dbraw/zinc/16/97/85/1450169785.db2.gz AMSGAZOTSKJQNE-UHFFFAOYSA-N -1 1 339.374 2.860 20 30 EFEDMM Cc1oc2ccccc2c1C=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O ZINC000826265079 1450259713 /nfs/dbraw/zinc/25/97/13/1450259713.db2.gz LHHXRYSPWIEZAH-UHFFFAOYSA-N -1 1 348.366 2.582 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000735399975 1450327103 /nfs/dbraw/zinc/32/71/03/1450327103.db2.gz YHMSXRKLJWETCK-NSHDSACASA-N -1 1 349.435 2.911 20 30 EFEDMM N#Cc1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000822823520 1450406143 /nfs/dbraw/zinc/40/61/43/1450406143.db2.gz SFBUDVQPJLRLHI-UHFFFAOYSA-N -1 1 344.378 2.700 20 30 EFEDMM CC(C)c1ncc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820206688 1450471783 /nfs/dbraw/zinc/47/17/83/1450471783.db2.gz VTQZLYJIMWOSCS-UHFFFAOYSA-N -1 1 327.417 2.570 20 30 EFEDMM C[C@@H]1CCC[C@@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)C1 ZINC000824925204 1450476882 /nfs/dbraw/zinc/47/68/82/1450476882.db2.gz BOAGXUDINQDJQY-NXEZZACHSA-N -1 1 329.433 2.634 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCN(Cc3ccccn3)CC2)c1 ZINC000255012589 713286507 /nfs/dbraw/zinc/28/65/07/713286507.db2.gz LKGOSVGMDVMVAI-NDENLUEZSA-N -1 1 340.383 2.779 20 30 EFEDMM COc1ccc2oc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2c1 ZINC000255364588 714737382 /nfs/dbraw/zinc/73/73/82/714737382.db2.gz BOQRPNMBQJUFHQ-MAVJXHJTSA-N -1 1 326.304 2.670 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(C)c2)c(=O)o1 ZINC000255377504 714875206 /nfs/dbraw/zinc/87/52/06/714875206.db2.gz DIZRHGQAXXXNND-VOKGJARPSA-N -1 1 349.180 2.986 20 30 EFEDMM C[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000022837038 715237237 /nfs/dbraw/zinc/23/72/37/715237237.db2.gz KKAXVOHQMZWJPK-LLVKDONJSA-N -1 1 348.355 2.695 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)F)cc2)c(=O)o1 ZINC000255563382 715948791 /nfs/dbraw/zinc/94/87/91/715948791.db2.gz FSGGLYGYYUQAIN-HQQUCIOCSA-N -1 1 336.290 2.559 20 30 EFEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000176904686 717011754 /nfs/dbraw/zinc/01/17/54/717011754.db2.gz PPQAQTMXFXABJO-RGDDUWESSA-N -1 1 336.290 2.825 20 30 EFEDMM CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccccc1O ZINC000972815448 717356771 /nfs/dbraw/zinc/35/67/71/717356771.db2.gz SVNYOSSNZOZKEK-LJQANCHMSA-N -1 1 349.434 2.904 20 30 EFEDMM C#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000066517435 718241270 /nfs/dbraw/zinc/24/12/70/718241270.db2.gz PJIRLNJCUNZUEE-UHFFFAOYSA-N -1 1 329.377 2.586 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)s2)c(=O)o1 ZINC000003554711 721502116 /nfs/dbraw/zinc/50/21/16/721502116.db2.gz JGRACYZESXGOJD-KMOQFTEPSA-N -1 1 341.182 2.739 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)s2)c(=O)o1 ZINC000003554703 721502244 /nfs/dbraw/zinc/50/22/44/721502244.db2.gz JGRACYZESXGOJD-FXMSTWTQSA-N -1 1 341.182 2.739 20 30 EFEDMM C#Cc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)cn1 ZINC000729029802 724790054 /nfs/dbraw/zinc/79/00/54/724790054.db2.gz ILTCDUPIUARUPQ-UHFFFAOYSA-N -1 1 349.342 2.794 20 30 EFEDMM CCCCCN1c2ccccc2C(=N[N-]c2ncnc3[nH]cnc32)C1=O ZINC000917554379 728759309 /nfs/dbraw/zinc/75/93/09/728759309.db2.gz CVMGTJOREWGBOX-UHFFFAOYSA-N -1 1 349.398 2.706 20 30 EFEDMM Fc1cc(Br)ccc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000917554658 728759494 /nfs/dbraw/zinc/75/94/94/728759494.db2.gz QYLWJXPZIOOQKY-UHFFFAOYSA-N -1 1 335.140 2.701 20 30 EFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000160193833 723245557 /nfs/dbraw/zinc/24/55/57/723245557.db2.gz BVYBBLWAOOXZNV-GFCCVEGCSA-N -1 1 329.381 2.675 20 30 EFEDMM C#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000728962320 724929144 /nfs/dbraw/zinc/92/91/44/724929144.db2.gz OJOLJZDRYNJYRK-UHFFFAOYSA-N -1 1 334.375 2.504 20 30 EFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1 ZINC000152594148 726184854 /nfs/dbraw/zinc/18/48/54/726184854.db2.gz LDSFVDXRVGHDKZ-NFAHFFEMSA-N -1 1 349.180 2.986 20 30 EFEDMM C=CC(C)(C)CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000907414409 726935748 /nfs/dbraw/zinc/93/57/48/726935748.db2.gz WFXLHLREZRZECC-ZDUSSCGKSA-N -1 1 337.786 2.800 20 30 EFEDMM C=CCC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908744461 727254035 /nfs/dbraw/zinc/25/40/35/727254035.db2.gz VCVUHCZUGBFPGJ-HUUCEWRRSA-N -1 1 349.431 2.525 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1[O-] ZINC000912097177 727649792 /nfs/dbraw/zinc/64/97/92/727649792.db2.gz DFFGLGOKKCCHEL-IEBWSBKVSA-N -1 1 336.391 2.992 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)c(Br)c2)n1 ZINC000916241519 727669183 /nfs/dbraw/zinc/66/91/83/727669183.db2.gz HSNVMQARVALEGF-UHFFFAOYSA-N -1 1 325.141 2.838 20 30 EFEDMM O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1cc(O)ccc1[O-] ZINC000156643562 727943388 /nfs/dbraw/zinc/94/33/88/727943388.db2.gz PKTOFCGKQZZAIK-XVNBXDOJSA-N -1 1 325.364 2.831 20 30 EFEDMM C#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000170718533 728469848 /nfs/dbraw/zinc/46/98/48/728469848.db2.gz KLSRHAXFDFRUEJ-UHFFFAOYSA-N -1 1 329.377 2.668 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3c(Br)cccc32)n1 ZINC000920358836 729175941 /nfs/dbraw/zinc/17/59/41/729175941.db2.gz CDCDDFDRDGSGMH-UHFFFAOYSA-N -1 1 349.188 2.852 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CCc3c2cccc3Cl)c2ccccc21 ZINC000921257448 729281012 /nfs/dbraw/zinc/28/10/12/729281012.db2.gz AVLRPBGCPQYRNS-UHFFFAOYSA-N -1 1 345.811 2.729 20 30 EFEDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000068716066 729743347 /nfs/dbraw/zinc/74/33/47/729743347.db2.gz BOANPXKFZNIEDC-UHFFFAOYSA-N -1 1 344.392 2.926 20 30 EFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC001602782239 971528353 /nfs/dbraw/zinc/52/83/53/971528353.db2.gz RAUNGSORNWOGED-GOSISDBHSA-N -1 1 349.350 2.568 20 30 EFEDMM C=CCO[C@@H]1CCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001328744525 961225006 /nfs/dbraw/zinc/22/50/06/961225006.db2.gz NLRFUCNUJKZSCO-CYBMUJFWSA-N -1 1 340.217 2.924 20 30 EFEDMM C#CC[C@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001573303362 962675725 /nfs/dbraw/zinc/67/57/25/962675725.db2.gz NJWWOEOTGUDYQO-LBPRGKRZSA-N -1 1 346.452 2.609 20 30 EFEDMM C#CC[C@@H]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001573303359 962675925 /nfs/dbraw/zinc/67/59/25/962675925.db2.gz NJWWOEOTGUDYQO-GFCCVEGCSA-N -1 1 346.452 2.609 20 30 EFEDMM COC(=O)c1ccc(Cl)c(CN=Nc2ccc(C(=O)[O-])cn2)c1 ZINC000794857055 978823003 /nfs/dbraw/zinc/82/30/03/978823003.db2.gz CAEVAVOSFLVEHN-UHFFFAOYSA-N -1 1 333.731 2.666 20 30 EFEDMM O=C([O-])Cn1cc(C=NNc2ccncc2Cl)c2ccccc21 ZINC000799880977 978844705 /nfs/dbraw/zinc/84/47/05/978844705.db2.gz KFENXXHQGLSDOH-UHFFFAOYSA-N -1 1 328.759 2.642 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000903693175 981015619 /nfs/dbraw/zinc/01/56/19/981015619.db2.gz UADHCGRXOMHPQX-UHFFFAOYSA-N -1 1 327.409 2.640 20 30 EFEDMM CCOC(=O)COc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC001116212824 982923832 /nfs/dbraw/zinc/92/38/32/982923832.db2.gz KLICQGDRCCWINW-UHFFFAOYSA-N -1 1 342.351 2.773 20 30 EFEDMM C#C[C@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(Br)cc1 ZINC001588377369 983356422 /nfs/dbraw/zinc/35/64/22/983356422.db2.gz LAJHWPYCNIHJKI-SRVKXCTJSA-N -1 1 344.155 2.679 20 30 EFEDMM C#Cc1ccc(NC(=O)CCN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001588517616 983565592 /nfs/dbraw/zinc/56/55/92/983565592.db2.gz XPEPEDJAJDFHSK-UHFFFAOYSA-N -1 1 334.375 2.711 20 30 EFEDMM C=C(C)c1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC001588605479 983693247 /nfs/dbraw/zinc/69/32/47/983693247.db2.gz IZTUHTIRVVBICQ-AWEZNQCLSA-N -1 1 331.416 2.732 20 30 EFEDMM C=CC[C@@H](C(=O)[O-])N1CCOc2cccc(Br)c2C1 ZINC001588731016 984004074 /nfs/dbraw/zinc/00/40/74/984004074.db2.gz BNXUWHINAVAOID-LBPRGKRZSA-N -1 1 326.190 2.673 20 30 EFEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC001594502936 985694146 /nfs/dbraw/zinc/69/41/46/985694146.db2.gz VJPATBGSWRXKLQ-SWHYSGLUSA-N -1 1 342.317 2.726 20 30 EFEDMM CCc1ccc2c(CN3CCC(C#N)(C(=O)[O-])CC3)cc(=O)oc2c1 ZINC001597563271 988313356 /nfs/dbraw/zinc/31/33/56/988313356.db2.gz FRNAFTPVZGBPGV-UHFFFAOYSA-N -1 1 340.379 2.546 20 30 EFEDMM CC(C)(C)c1cnc([C@@H](C#N)C(=O)CCSCC(=O)[O-])s1 ZINC001590515391 990125340 /nfs/dbraw/zinc/12/53/40/990125340.db2.gz IYLHLMPHTQGFOC-VIFPVBQESA-N -1 1 326.443 2.825 20 30 EFEDMM C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])cs1 ZINC001598498293 992393398 /nfs/dbraw/zinc/39/33/98/992393398.db2.gz SMZCZXSMEYISST-UHFFFAOYSA-N -1 1 330.409 2.967 20 30 EFEDMM C[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1cccc(C#N)c1 ZINC001593236767 994407753 /nfs/dbraw/zinc/40/77/53/994407753.db2.gz IUYQBJBQCYTJAR-JTQLQIEISA-N -1 1 329.381 2.607 20 30 EFEDMM COCCN(CCc1ccccc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001599238805 997997198 /nfs/dbraw/zinc/99/71/98/997997198.db2.gz RYLXRUAUITVDCX-UHFFFAOYSA-N -1 1 338.407 2.948 20 30 EFEDMM COc1cc(OC)c(CN=Nc2cccc(F)c2C(=O)[O-])c(OC)c1 ZINC001599446991 998025018 /nfs/dbraw/zinc/02/50/18/998025018.db2.gz GRPIGDITJKKXFN-UHFFFAOYSA-N -1 1 348.330 2.996 20 30 EFEDMM N#CC[C@@H](CC(=O)OCC(=O)c1ccc([O-])cc1O)c1ccccc1 ZINC001647172403 1089034696 /nfs/dbraw/zinc/03/46/96/1089034696.db2.gz DSRSYDSEVQLVPM-AWEZNQCLSA-N -1 1 339.347 2.911 20 30 EFEDMM CSc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1Cl ZINC001580235462 1090823247 /nfs/dbraw/zinc/82/32/47/1090823247.db2.gz PPWXHPZRPGFDOC-UHFFFAOYSA-N -1 1 344.791 2.647 20 30 EFEDMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001580443849 1090902518 /nfs/dbraw/zinc/90/25/18/1090902518.db2.gz KLOVRWBVFSQWIG-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001580443849 1090902522 /nfs/dbraw/zinc/90/25/22/1090902522.db2.gz KLOVRWBVFSQWIG-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM Cc1c(Cl)cnc(NCc2ccc(-c3nn[n-]n3)s2)c1C#N ZINC001580554444 1090946388 /nfs/dbraw/zinc/94/63/88/1090946388.db2.gz KHVFADDSPKYMLN-UHFFFAOYSA-N -1 1 331.792 2.769 20 30 EFEDMM Cc1ccccc1[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(C)C ZINC001581252949 1091107101 /nfs/dbraw/zinc/10/71/01/1091107101.db2.gz FYOJNDBRHLLRPI-OAHLLOKOSA-N -1 1 334.387 2.646 20 30 EFEDMM O=C(c1ccc(-c2nn[n-]n2)s1)N(O)CCCCc1ccccc1 ZINC001582701570 1091633053 /nfs/dbraw/zinc/63/30/53/1091633053.db2.gz PXQPPMSHFLXTGD-UHFFFAOYSA-N -1 1 343.412 2.783 20 30 EFEDMM C#CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588334241 1092930136 /nfs/dbraw/zinc/93/01/36/1092930136.db2.gz REGYZQZPWAZQQR-AWEZNQCLSA-N -1 1 348.366 2.821 20 30 EFEDMM C#CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588334241 1092930143 /nfs/dbraw/zinc/93/01/43/1092930143.db2.gz REGYZQZPWAZQQR-AWEZNQCLSA-N -1 1 348.366 2.821 20 30 EFEDMM C#CCOc1cc(F)ccc1NCc1csc(-c2nn[n-]n2)c1 ZINC001588363645 1092931519 /nfs/dbraw/zinc/93/15/19/1092931519.db2.gz RWBLPISEIWUGGO-UHFFFAOYSA-N -1 1 329.360 2.691 20 30 EFEDMM C#CCN(Cc1ccccc1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588351707 1092933017 /nfs/dbraw/zinc/93/30/17/1092933017.db2.gz FZFDDYIWOMKJRC-UHFFFAOYSA-N -1 1 330.804 2.616 20 30 EFEDMM C#CCN(Cc1ccccc1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588351707 1092933026 /nfs/dbraw/zinc/93/30/26/1092933026.db2.gz FZFDDYIWOMKJRC-UHFFFAOYSA-N -1 1 330.804 2.616 20 30 EFEDMM C=C(C)CCOc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001588424161 1092945027 /nfs/dbraw/zinc/94/50/27/1092945027.db2.gz GPCNPRYGPOZAJI-UHFFFAOYSA-N -1 1 341.371 2.777 20 30 EFEDMM C=C(CC)COc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001588444328 1092947205 /nfs/dbraw/zinc/94/72/05/1092947205.db2.gz XKKLETKZMZCPFK-UHFFFAOYSA-N -1 1 341.371 2.777 20 30 EFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588560410 1092961736 /nfs/dbraw/zinc/96/17/36/1092961736.db2.gz PYSOVNHMSXGSNP-PWSUYJOCSA-N -1 1 346.822 2.780 20 30 EFEDMM C=CCCCCCCCCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001588594231 1092967877 /nfs/dbraw/zinc/96/78/77/1092967877.db2.gz QOXORVPHVMMFFU-UHFFFAOYSA-N -1 1 326.408 2.857 20 30 EFEDMM C=CCCC[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001588594077 1092968057 /nfs/dbraw/zinc/96/80/57/1092968057.db2.gz KUZFFPWAEJQOQK-CYBMUJFWSA-N -1 1 337.387 2.668 20 30 EFEDMM C=CCCC[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001588594077 1092968062 /nfs/dbraw/zinc/96/80/62/1092968062.db2.gz KUZFFPWAEJQOQK-CYBMUJFWSA-N -1 1 337.387 2.668 20 30 EFEDMM C=CCN(CCc1ccco1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001588635750 1092973098 /nfs/dbraw/zinc/97/30/98/1092973098.db2.gz SQKRIICPZHONGJ-UHFFFAOYSA-N -1 1 336.808 2.805 20 30 EFEDMM Cc1cncc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1 ZINC001588781410 1092991176 /nfs/dbraw/zinc/99/11/76/1092991176.db2.gz AUFBOSACIMPIMJ-UHFFFAOYSA-N -1 1 340.391 2.593 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(C#N)cc2Cl)o1 ZINC001588781337 1092991497 /nfs/dbraw/zinc/99/14/97/1092991497.db2.gz VEGSBIMPHZHHJZ-UHFFFAOYSA-N -1 1 342.750 2.524 20 30 EFEDMM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nn[n-]n2)s1 ZINC001588780520 1092991978 /nfs/dbraw/zinc/99/19/78/1092991978.db2.gz CUWZRFSRROTHAK-UHFFFAOYSA-N -1 1 343.372 2.981 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(O)c2F)o1 ZINC001588781078 1092992116 /nfs/dbraw/zinc/99/21/16/1092992116.db2.gz BXBJBBMZCRINEW-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001589098735 1093029328 /nfs/dbraw/zinc/02/93/28/1093029328.db2.gz DTOXEMVKAPNREU-UHFFFAOYSA-N -1 1 342.403 2.688 20 30 EFEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001589098735 1093029334 /nfs/dbraw/zinc/02/93/34/1093029334.db2.gz DTOXEMVKAPNREU-UHFFFAOYSA-N -1 1 342.403 2.688 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(F)ccc2F)o1 ZINC001589664803 1093123349 /nfs/dbraw/zinc/12/33/49/1093123349.db2.gz WTTBIZXJYIAWDI-UHFFFAOYSA-N -1 1 347.329 2.777 20 30 EFEDMM C[C@H](CC#N)Nc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589788270 1093148549 /nfs/dbraw/zinc/14/85/49/1093148549.db2.gz VXUBWVIZUJIADU-LLVKDONJSA-N -1 1 336.403 2.506 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590049424 1093245567 /nfs/dbraw/zinc/24/55/67/1093245567.db2.gz PLNOCBAHZNSPRW-JTQLQIEISA-N -1 1 338.396 2.633 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590049424 1093245573 /nfs/dbraw/zinc/24/55/73/1093245573.db2.gz PLNOCBAHZNSPRW-JTQLQIEISA-N -1 1 338.396 2.633 20 30 EFEDMM CCC[C@@H]1CCCC[C@H]1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590569290 1093493534 /nfs/dbraw/zinc/49/35/34/1093493534.db2.gz KLOYVBSNFOFYOE-NEPJUHHUSA-N -1 1 326.408 2.547 20 30 EFEDMM CCc1cc(C#N)c(NC(=O)c2cc(-c3nnn[n-]3)oc2C)s1 ZINC001590878703 1093611937 /nfs/dbraw/zinc/61/19/37/1093611937.db2.gz YRJNYKSMADXIMR-UHFFFAOYSA-N -1 1 328.357 2.516 20 30 EFEDMM CCc1cc(C#N)c(NC(=O)c2cc(-c3nn[n-]n3)oc2C)s1 ZINC001590878703 1093611945 /nfs/dbraw/zinc/61/19/45/1093611945.db2.gz YRJNYKSMADXIMR-UHFFFAOYSA-N -1 1 328.357 2.516 20 30 EFEDMM CCc1ccc2ccccc2c1Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001590893117 1093621748 /nfs/dbraw/zinc/62/17/48/1093621748.db2.gz RQLYPZXQXURDBH-UHFFFAOYSA-N -1 1 329.367 2.699 20 30 EFEDMM CCc1nc(Sc2cccc(C#N)c2Cl)cc(-c2nnn[n-]2)n1 ZINC001590923956 1093632978 /nfs/dbraw/zinc/63/29/78/1093632978.db2.gz MVCIVIOKCOGCAQ-UHFFFAOYSA-N -1 1 343.803 2.895 20 30 EFEDMM CCc1nc(Sc2cccc(C#N)c2Cl)cc(-c2nn[n-]n2)n1 ZINC001590923956 1093632980 /nfs/dbraw/zinc/63/29/80/1093632980.db2.gz MVCIVIOKCOGCAQ-UHFFFAOYSA-N -1 1 343.803 2.895 20 30 EFEDMM CSc1ccccc1C(=O)C=Cc1nc(-c2nnn[n-]2)cs1 ZINC001591715440 1093841673 /nfs/dbraw/zinc/84/16/73/1093841673.db2.gz FWQQJGXCVUYWSY-VOTSOKGWSA-N -1 1 329.410 2.941 20 30 EFEDMM CSc1ccccc1C(=O)C=Cc1nc(-c2nn[n-]n2)cs1 ZINC001591715440 1093841678 /nfs/dbraw/zinc/84/16/78/1093841678.db2.gz FWQQJGXCVUYWSY-VOTSOKGWSA-N -1 1 329.410 2.941 20 30 EFEDMM Cc1c(C(=O)C=Cc2csc(-c3nn[n-]n3)c2)cnn1C(C)C ZINC001591802066 1093863444 /nfs/dbraw/zinc/86/34/44/1093863444.db2.gz PSYLURXTGWVOFH-SNAWJCMRSA-N -1 1 328.401 2.910 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1C(C)C ZINC001591802189 1093865633 /nfs/dbraw/zinc/86/56/33/1093865633.db2.gz UFVOQOPQYSQNHY-XQRVVYSFSA-N -1 1 328.401 2.910 20 30 EFEDMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H](C#N)C2CC2)n1 ZINC001591940494 1093925159 /nfs/dbraw/zinc/92/51/59/1093925159.db2.gz RFGVZNFRORWWML-VIFPVBQESA-N -1 1 340.334 2.983 20 30 EFEDMM Cc1cc(C)n(N=CC2CCC(C(C)C)CC2)c(=O)c1-c1nn[n-]n1 ZINC001591955875 1093931904 /nfs/dbraw/zinc/93/19/04/1093931904.db2.gz JXFAOHJTHHKAJL-UHFFFAOYSA-N -1 1 342.447 2.942 20 30 EFEDMM Cc1cccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1F ZINC001592226187 1094036955 /nfs/dbraw/zinc/03/69/55/1094036955.db2.gz FYOIMMYTYPYEQQ-UHFFFAOYSA-N -1 1 329.339 2.872 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCCSCc1ccccc1 ZINC001592334691 1094079048 /nfs/dbraw/zinc/07/90/48/1094079048.db2.gz FANBPOKUDSOZRI-UHFFFAOYSA-N -1 1 339.428 2.567 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2cccc(C#N)c2)n1 ZINC001592353585 1094085217 /nfs/dbraw/zinc/08/52/17/1094085217.db2.gz DLGMBHDTZSHJFA-SNVBAGLBSA-N -1 1 337.412 2.999 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(c1ccccc1C#N)C1CCC1 ZINC001592496834 1094114248 /nfs/dbraw/zinc/11/42/48/1094114248.db2.gz MGAFJJOCZXLEGH-UHFFFAOYSA-N -1 1 348.366 2.839 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(c1ccccc1C#N)C1CCC1 ZINC001592496834 1094114252 /nfs/dbraw/zinc/11/42/52/1094114252.db2.gz MGAFJJOCZXLEGH-UHFFFAOYSA-N -1 1 348.366 2.839 20 30 EFEDMM FC(F)(F)c1ccccc1NN=Cc1nc(-c2nnn[n-]2)cs1 ZINC001592620844 1094142391 /nfs/dbraw/zinc/14/23/91/1094142391.db2.gz DYZMLHYDXPDWOU-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM FC(F)(F)c1ccccc1NN=Cc1nc(-c2nn[n-]n2)cs1 ZINC001592620844 1094142396 /nfs/dbraw/zinc/14/23/96/1094142396.db2.gz DYZMLHYDXPDWOU-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM N#CC[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001592682140 1094176446 /nfs/dbraw/zinc/17/64/46/1094176446.db2.gz PDVTYACRFLSUEG-WPRPVWTQSA-N -1 1 337.309 2.775 20 30 EFEDMM N#CC[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001592682140 1094176447 /nfs/dbraw/zinc/17/64/47/1094176447.db2.gz PDVTYACRFLSUEG-WPRPVWTQSA-N -1 1 337.309 2.775 20 30 EFEDMM N#Cc1c(-c2nn[n-]n2)ncn1CCCc1ccc(C(F)(F)F)cc1 ZINC001592683875 1094176489 /nfs/dbraw/zinc/17/64/89/1094176489.db2.gz DPBFUYOSFOYIFE-UHFFFAOYSA-N -1 1 347.304 2.586 20 30 EFEDMM N#Cc1ncc(Nc2ccc3c(c2)CCCCC3)nc1-c1nn[n-]n1 ZINC001592708677 1094183246 /nfs/dbraw/zinc/18/32/46/1094183246.db2.gz IFZLJGIOBMJXHV-UHFFFAOYSA-N -1 1 332.371 2.541 20 30 EFEDMM N#Cc1ncc(N[C@@H](CC2CCC2)c2ccccc2)nc1-c1nn[n-]n1 ZINC001592710715 1094183424 /nfs/dbraw/zinc/18/34/24/1094183424.db2.gz WCXPGKQFLHXAGL-AWEZNQCLSA-N -1 1 346.398 2.872 20 30 EFEDMM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)c1 ZINC001600110522 1094777900 /nfs/dbraw/zinc/77/79/00/1094777900.db2.gz ORLHAFORVXQWML-UHFFFAOYSA-N -1 1 347.334 2.602 20 30 EFEDMM Cc1cc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001600194949 1094860938 /nfs/dbraw/zinc/86/09/38/1094860938.db2.gz JJXKJZVNYNFWIA-AWEZNQCLSA-N -1 1 340.383 2.629 20 30 EFEDMM Cc1cc(CN2CCC[C@H](Nc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001600194949 1094860955 /nfs/dbraw/zinc/86/09/55/1094860955.db2.gz JJXKJZVNYNFWIA-AWEZNQCLSA-N -1 1 340.383 2.629 20 30 EFEDMM Cc1cc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001600194953 1094861625 /nfs/dbraw/zinc/86/16/25/1094861625.db2.gz JJXKJZVNYNFWIA-CQSZACIVSA-N -1 1 340.383 2.629 20 30 EFEDMM Cc1cc(CN2CCC[C@@H](Nc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001600194953 1094861652 /nfs/dbraw/zinc/86/16/52/1094861652.db2.gz JJXKJZVNYNFWIA-CQSZACIVSA-N -1 1 340.383 2.629 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)Cc3cccc(C(=O)[O-])c3)[nH]c21 ZINC001600555922 1095161622 /nfs/dbraw/zinc/16/16/22/1095161622.db2.gz RVSNEFVNJNTXNQ-CQSZACIVSA-N -1 1 333.347 2.989 20 30 EFEDMM N#CCc1ccccc1CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001601078742 1095495071 /nfs/dbraw/zinc/49/50/71/1095495071.db2.gz YPMJBBKLHIFPTE-UHFFFAOYSA-N -1 1 334.335 2.508 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1O ZINC001601093364 1095503700 /nfs/dbraw/zinc/50/37/00/1095503700.db2.gz LRARRNIRNGNXQA-UHFFFAOYSA-N -1 1 346.726 2.633 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1O ZINC001601093535 1095504084 /nfs/dbraw/zinc/50/40/84/1095504084.db2.gz UTBUWHNKCAKIFF-UHFFFAOYSA-N -1 1 340.335 2.760 20 30 EFEDMM N#Cc1ccc(F)c(CNCc2cc(C(=O)[O-])c3n2CCCC3)c1 ZINC001601102512 1095513011 /nfs/dbraw/zinc/51/30/11/1095513011.db2.gz FVBDYYWRDACJAA-UHFFFAOYSA-N -1 1 327.359 2.823 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)CCc3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC001601114257 1095519421 /nfs/dbraw/zinc/51/94/21/1095519421.db2.gz POTJPYYSAQEJNF-UHFFFAOYSA-N -1 1 334.335 2.704 20 30 EFEDMM N#Cc1cccc(C2(NCc3occc3C(=O)[O-])CCOCC2)c1 ZINC001601120537 1095525160 /nfs/dbraw/zinc/52/51/60/1095525160.db2.gz YMVXKJGUUVRODF-UHFFFAOYSA-N -1 1 326.352 2.645 20 30 EFEDMM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)n1 ZINC001601123287 1095526723 /nfs/dbraw/zinc/52/67/23/1095526723.db2.gz TUVZKQVXSFYBEO-CQSZACIVSA-N -1 1 335.285 2.888 20 30 EFEDMM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)n1 ZINC001601123315 1095527506 /nfs/dbraw/zinc/52/75/06/1095527506.db2.gz UYSZVNIWPHFIDY-CQSZACIVSA-N -1 1 346.184 2.631 20 30 EFEDMM N#Cc1ccccc1-c1ccc(CN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC001601124398 1095529536 /nfs/dbraw/zinc/52/95/36/1095529536.db2.gz OPXCDGOLUXRQFO-GOSISDBHSA-N -1 1 336.391 2.901 20 30 EFEDMM O=C([O-])c1ccccc1-c1ccc(C=NNc2ncnc3nc[nH]c32)o1 ZINC001602463192 1096258972 /nfs/dbraw/zinc/25/89/72/1096258972.db2.gz SOUDWRQEPKENTP-UHFFFAOYSA-N -1 1 348.322 2.757 20 30 EFEDMM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC001602632386 1096334042 /nfs/dbraw/zinc/33/40/42/1096334042.db2.gz VMDBBPMSOZFIPL-HNNXBMFYSA-N -1 1 335.787 2.803 20 30 EFEDMM C=C(C)CN(Cc1ccccc1)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001602762867 1096365939 /nfs/dbraw/zinc/36/59/39/1096365939.db2.gz MIRIPBMMENCYNX-UHFFFAOYSA-N -1 1 335.415 2.802 20 30 EFEDMM C=C(C)CN(Cc1ccccc1)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001602762867 1096365947 /nfs/dbraw/zinc/36/59/47/1096365947.db2.gz MIRIPBMMENCYNX-UHFFFAOYSA-N -1 1 335.415 2.802 20 30 EFEDMM C=C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccccc1 ZINC001602803520 1096374454 /nfs/dbraw/zinc/37/44/54/1096374454.db2.gz NIOJCGLOTAKVJQ-ZDUSSCGKSA-N -1 1 341.758 2.999 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001602816742 1096376241 /nfs/dbraw/zinc/37/62/41/1096376241.db2.gz UAOJJXCGKZGXAQ-ZDUSSCGKSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001602816742 1096376254 /nfs/dbraw/zinc/37/62/54/1096376254.db2.gz UAOJJXCGKZGXAQ-ZDUSSCGKSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CCC[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602827265 1096377177 /nfs/dbraw/zinc/37/71/77/1096377177.db2.gz STLHZFIELLCHEY-INIZCTEOSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCC[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602827265 1096377182 /nfs/dbraw/zinc/37/71/82/1096377182.db2.gz STLHZFIELLCHEY-INIZCTEOSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCCSCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001602846396 1096383146 /nfs/dbraw/zinc/38/31/46/1096383146.db2.gz LJCHFFKLJIISSM-UHFFFAOYSA-N -1 1 327.417 2.531 20 30 EFEDMM C=CCCSCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001602846396 1096383151 /nfs/dbraw/zinc/38/31/51/1096383151.db2.gz LJCHFFKLJIISSM-UHFFFAOYSA-N -1 1 327.417 2.531 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001602852494 1096386130 /nfs/dbraw/zinc/38/61/30/1096386130.db2.gz SIMWHVRDECFOOK-UHFFFAOYSA-N -1 1 349.398 2.524 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001602852494 1096386138 /nfs/dbraw/zinc/38/61/38/1096386138.db2.gz SIMWHVRDECFOOK-UHFFFAOYSA-N -1 1 349.398 2.524 20 30 EFEDMM C=CCN1CC[C@@H](N(C)Cc2c3ccccc3sc2C(=O)[O-])C1=O ZINC001602898722 1096392773 /nfs/dbraw/zinc/39/27/73/1096392773.db2.gz WITJDXNODURWHG-CQSZACIVSA-N -1 1 344.436 2.818 20 30 EFEDMM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc(OC)c1O ZINC001602926811 1096402884 /nfs/dbraw/zinc/40/28/84/1096402884.db2.gz OFWJKEWCXBVTPQ-QGZVFWFLSA-N -1 1 343.379 2.750 20 30 EFEDMM CC(C)(C)c1csc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C#N ZINC001603121830 1096451261 /nfs/dbraw/zinc/45/12/61/1096451261.db2.gz BQYZTNGOMCRQHP-UHFFFAOYSA-N -1 1 342.384 2.943 20 30 EFEDMM CC(C)(C)c1csc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C#N ZINC001603121830 1096451266 /nfs/dbraw/zinc/45/12/66/1096451266.db2.gz BQYZTNGOMCRQHP-UHFFFAOYSA-N -1 1 342.384 2.943 20 30 EFEDMM CC(C)CC[C@@H]1CCC[C@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603278514 1096493124 /nfs/dbraw/zinc/49/31/24/1096493124.db2.gz QPJKXXVTZFMUPP-NWDGAFQWSA-N -1 1 326.408 2.545 20 30 EFEDMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1cccc(C#N)c1 ZINC001603678356 1096587479 /nfs/dbraw/zinc/58/74/79/1096587479.db2.gz IZYFWLXYHWKLSX-JTQLQIEISA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1cccc(C#N)c1 ZINC001603678356 1096587482 /nfs/dbraw/zinc/58/74/82/1096587482.db2.gz IZYFWLXYHWKLSX-JTQLQIEISA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@H]1CCCc2ccccc2[C@@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603899175 1096664058 /nfs/dbraw/zinc/66/40/58/1096664058.db2.gz LVFDNHHMIMOLGE-MEDUHNTESA-N -1 1 346.398 2.654 20 30 EFEDMM CCC(C)(C)C1CCC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001603983433 1096687531 /nfs/dbraw/zinc/68/75/31/1096687531.db2.gz PCTJPVBXISNUKO-UHFFFAOYSA-N -1 1 340.435 2.935 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604175145 1096761817 /nfs/dbraw/zinc/76/18/17/1096761817.db2.gz AXNFJOIGNUTIRL-AWEZNQCLSA-N -1 1 344.463 2.917 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604175145 1096761824 /nfs/dbraw/zinc/76/18/24/1096761824.db2.gz AXNFJOIGNUTIRL-AWEZNQCLSA-N -1 1 344.463 2.917 20 30 EFEDMM CCCSCC(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001604234899 1096781630 /nfs/dbraw/zinc/78/16/30/1096781630.db2.gz AJNDTRHJSAJGDZ-UHFFFAOYSA-N -1 1 337.453 2.984 20 30 EFEDMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1C#N ZINC001604666364 1096927678 /nfs/dbraw/zinc/92/76/78/1096927678.db2.gz PQGXIDLWGBKJPQ-UHFFFAOYSA-N -1 1 344.787 2.730 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1cc(Cl)cc(C#N)c1 ZINC001604711252 1096938017 /nfs/dbraw/zinc/93/80/17/1096938017.db2.gz BNVXCVHZSCIDIJ-HGGPSHQYSA-N -1 1 334.803 2.807 20 30 EFEDMM CC[C@H](C)N(CC(=O)[O-])Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC001604961277 1096988454 /nfs/dbraw/zinc/98/84/54/1096988454.db2.gz DBBVZGMUAUNTPE-ZDUSSCGKSA-N -1 1 326.400 2.738 20 30 EFEDMM COC(=O)c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001604979821 1096992343 /nfs/dbraw/zinc/99/23/43/1096992343.db2.gz SEXYLRANNTZNPZ-WAYWQWQTSA-N -1 1 340.364 2.611 20 30 EFEDMM COC(=O)c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001604979821 1096992348 /nfs/dbraw/zinc/99/23/48/1096992348.db2.gz SEXYLRANNTZNPZ-WAYWQWQTSA-N -1 1 340.364 2.611 20 30 EFEDMM COCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C1CCCC1 ZINC001605036080 1097007940 /nfs/dbraw/zinc/00/79/40/1097007940.db2.gz AMBRVJWUCAATFQ-UHFFFAOYSA-N -1 1 347.423 2.757 20 30 EFEDMM CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC001605413761 1097121735 /nfs/dbraw/zinc/12/17/35/1097121735.db2.gz KLIXDPMHKYPKIE-WMLDXEAASA-N -1 1 345.443 2.557 20 30 EFEDMM CN(CCOCc1ccc(C#N)cc1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001606134976 1097325717 /nfs/dbraw/zinc/32/57/17/1097325717.db2.gz MBBRNJLNNJMCEK-HJWRWDBZSA-N -1 1 340.379 2.898 20 30 EFEDMM Clc1cccc(Cl)c1CNN=Cc1ccc(-c2nnn[n-]2)o1 ZINC001606194479 1097347031 /nfs/dbraw/zinc/34/70/31/1097347031.db2.gz OXHNZWGWSCBKSN-UHFFFAOYSA-N -1 1 337.170 2.890 20 30 EFEDMM Clc1cccc(Cl)c1CNN=Cc1ccc(-c2nn[n-]n2)o1 ZINC001606194479 1097347036 /nfs/dbraw/zinc/34/70/36/1097347036.db2.gz OXHNZWGWSCBKSN-UHFFFAOYSA-N -1 1 337.170 2.890 20 30 EFEDMM N#CCOc1cc(F)ccc1NCc1csc(-c2nn[n-]n2)c1 ZINC001606350446 1097390670 /nfs/dbraw/zinc/39/06/70/1097390670.db2.gz WABFOJXVFSEPGL-UHFFFAOYSA-N -1 1 330.348 2.582 20 30 EFEDMM N#Cc1nc(N[C@H]2CCC[C@@H](c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001606392788 1097398125 /nfs/dbraw/zinc/39/81/25/1097398125.db2.gz DESCYAPZNCITMZ-KGLIPLIRSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1nc(N[C@H]2CCC[C@@H](c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001606392788 1097398130 /nfs/dbraw/zinc/39/81/30/1097398130.db2.gz DESCYAPZNCITMZ-KGLIPLIRSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1nc(N[C@@H](C2CCC2)C2CCCCC2)cnc1-c1nnn[n-]1 ZINC001606392825 1097398951 /nfs/dbraw/zinc/39/89/51/1097398951.db2.gz GFQSMWQIIRXBCV-OAHLLOKOSA-N -1 1 338.419 2.689 20 30 EFEDMM N#Cc1nc(N[C@@H](C2CCC2)C2CCCCC2)cnc1-c1nn[n-]n1 ZINC001606392825 1097398954 /nfs/dbraw/zinc/39/89/54/1097398954.db2.gz GFQSMWQIIRXBCV-OAHLLOKOSA-N -1 1 338.419 2.689 20 30 EFEDMM COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)C(=O)[O-])c(OC)c1 ZINC001607234914 1097568577 /nfs/dbraw/zinc/56/85/77/1097568577.db2.gz QDMVPSLFRMHXAB-KRWDZBQOSA-N -1 1 344.342 2.630 20 30 EFEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC001607461187 1097632886 /nfs/dbraw/zinc/63/28/86/1097632886.db2.gz USVQAENYMKAPKZ-ZBEGNZNMSA-N -1 1 325.324 2.943 20 30 EFEDMM Cc1c(C(=O)[O-])cc(CN(C)CCOCc2ccc(C#N)cc2)n1C ZINC001607511170 1097646799 /nfs/dbraw/zinc/64/67/99/1097646799.db2.gz MQGKNADRRPPZQW-UHFFFAOYSA-N -1 1 341.411 2.552 20 30 EFEDMM N#CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC001608185166 1097854460 /nfs/dbraw/zinc/85/44/60/1097854460.db2.gz FUXRZKBYXKYNFA-UHFFFAOYSA-N -1 1 348.362 2.670 20 30 EFEDMM N#Cc1ccsc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001608222971 1097869714 /nfs/dbraw/zinc/86/97/14/1097869714.db2.gz MBTRIKXWAOGSIH-HZSPNIEDSA-N -1 1 347.440 2.524 20 30 EFEDMM N#Cc1cnccc1CN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001608222892 1097869904 /nfs/dbraw/zinc/86/99/04/1097869904.db2.gz MGGBSABKHYTIKC-DLBZAZTESA-N -1 1 341.798 2.907 20 30 EFEDMM C#C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1F ZINC001609018982 1098112690 /nfs/dbraw/zinc/11/26/90/1098112690.db2.gz KFCGFVHWARSGRZ-ZDUSSCGKSA-N -1 1 331.738 2.716 20 30 EFEDMM C#C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1F ZINC001609018982 1098112693 /nfs/dbraw/zinc/11/26/93/1098112693.db2.gz KFCGFVHWARSGRZ-ZDUSSCGKSA-N -1 1 331.738 2.716 20 30 EFEDMM C=CCCCOc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001609054911 1098123199 /nfs/dbraw/zinc/12/31/99/1098123199.db2.gz LCYUEXOBYNXFAQ-UHFFFAOYSA-N -1 1 341.371 2.777 20 30 EFEDMM C#C[C@H](C)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001609054773 1098123244 /nfs/dbraw/zinc/12/32/44/1098123244.db2.gz QWLNHKVSYIKLHO-VIFPVBQESA-N -1 1 338.194 2.989 20 30 EFEDMM Cc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)o1 ZINC001609061277 1098126105 /nfs/dbraw/zinc/12/61/05/1098126105.db2.gz RZHYJEQVPLFHBM-UHFFFAOYSA-N -1 1 329.364 2.890 20 30 EFEDMM C=CCSCCNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609059407 1098126620 /nfs/dbraw/zinc/12/66/20/1098126620.db2.gz LQBYOABBPGLPDX-UHFFFAOYSA-N -1 1 330.339 2.612 20 30 EFEDMM C=CCSCCNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609059407 1098126623 /nfs/dbraw/zinc/12/66/23/1098126623.db2.gz LQBYOABBPGLPDX-UHFFFAOYSA-N -1 1 330.339 2.612 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)C2CCSCC2)o1 ZINC001609061562 1098128205 /nfs/dbraw/zinc/12/82/05/1098128205.db2.gz LAVUEXUJVQDJAK-UHFFFAOYSA-N -1 1 349.464 2.984 20 30 EFEDMM CC[C@H](C)[C@H](CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)OC ZINC001609185517 1098188020 /nfs/dbraw/zinc/18/80/20/1098188020.db2.gz JCHTZZJDNIYUQI-UWVGGRQHSA-N -1 1 335.412 2.611 20 30 EFEDMM CCc1cccc2c1OCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001609253177 1098226859 /nfs/dbraw/zinc/22/68/59/1098226859.db2.gz UTSURGAGWPAAJI-POHAHGRESA-N -1 1 339.380 2.544 20 30 EFEDMM CCc1cccc2c1OCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001609253177 1098226864 /nfs/dbraw/zinc/22/68/64/1098226864.db2.gz UTSURGAGWPAAJI-POHAHGRESA-N -1 1 339.380 2.544 20 30 EFEDMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1OC ZINC001609460177 1098337157 /nfs/dbraw/zinc/33/71/57/1098337157.db2.gz IKRAACPZXSPFII-SFHVURJKSA-N -1 1 343.379 2.881 20 30 EFEDMM COc1ccc(CN=Nc2cccc(F)c2C(=O)[O-])c(OC)c1OC ZINC001610328402 1098623433 /nfs/dbraw/zinc/62/34/33/1098623433.db2.gz MCLVTBPOOCTKLB-UHFFFAOYSA-N -1 1 348.330 2.996 20 30 EFEDMM Cc1c(C(=O)[O-])cc(C=NNc2ccc(Br)cn2)n1C ZINC001610407041 1098660901 /nfs/dbraw/zinc/66/09/01/1098660901.db2.gz HIBYRQZUIUIHLM-UHFFFAOYSA-N -1 1 337.177 2.635 20 30 EFEDMM Cc1nccc([C@@H]2CCCN(Cc3cccc(C(=O)[O-])c3C#N)C2)n1 ZINC001610564489 1098755848 /nfs/dbraw/zinc/75/58/48/1098755848.db2.gz SDZZWDBJWMWVBZ-OAHLLOKOSA-N -1 1 336.395 2.735 20 30 EFEDMM N#Cc1c(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC001610622920 1098788047 /nfs/dbraw/zinc/78/80/47/1098788047.db2.gz FTXKYUZEILUKSQ-GJZGRUSLSA-N -1 1 328.412 2.895 20 30 EFEDMM N#Cc1c(CN2CCN(Cc3ccccc3)CC2)cccc1C(=O)[O-] ZINC001610623329 1098789801 /nfs/dbraw/zinc/78/98/01/1098789801.db2.gz LXFCKGNMZXBOCT-UHFFFAOYSA-N -1 1 335.407 2.574 20 30 EFEDMM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1F ZINC001610630729 1098794426 /nfs/dbraw/zinc/79/44/26/1098794426.db2.gz CZEXUKSPDKHPCP-QGZVFWFLSA-N -1 1 326.327 2.548 20 30 EFEDMM O=C([O-])c1c(F)cccc1NN=Cc1nccn1CC(F)(F)F ZINC001610806027 1098901022 /nfs/dbraw/zinc/90/10/22/1098901022.db2.gz HQKVHALWCNTPLB-UHFFFAOYSA-N -1 1 330.241 2.729 20 30 EFEDMM CCc1cccc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c1[O-] ZINC001611701858 1099027928 /nfs/dbraw/zinc/02/79/28/1099027928.db2.gz GAKUTXXNWFFURU-UHFFFAOYSA-N -1 1 333.351 2.864 20 30 EFEDMM Cc1cn2c(nc(C)c2CNC(=O)c2ccc(C#N)c([O-])c2)s1 ZINC001637426976 1100782051 /nfs/dbraw/zinc/78/20/51/1100782051.db2.gz DTOAQURLUXJEMQ-UHFFFAOYSA-N -1 1 326.381 2.520 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cccnc2N2CCCCC2)cc1[O-] ZINC000785409717 1101612915 /nfs/dbraw/zinc/61/29/15/1101612915.db2.gz IQPQROCWIXIIHY-UHFFFAOYSA-N -1 1 336.395 2.579 20 30 EFEDMM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC001271647864 1102205852 /nfs/dbraw/zinc/20/58/52/1102205852.db2.gz PJNMXMLUFVQGJN-GFCCVEGCSA-N -1 1 348.830 2.590 20 30 EFEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cn(Cc2cccnc2)nn1 ZINC000588425003 1102260995 /nfs/dbraw/zinc/26/09/95/1102260995.db2.gz HIOKCZZNPFXWQC-NVNXTCNLSA-N -1 1 332.363 2.640 20 30 EFEDMM COCC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000905520401 1103304153 /nfs/dbraw/zinc/30/41/53/1103304153.db2.gz ZGAJUDJYHNNNFG-ZDUSSCGKSA-N -1 1 331.750 2.570 20 30 EFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1c(F)cccc1F ZINC000785413648 1103924314 /nfs/dbraw/zinc/92/43/14/1103924314.db2.gz LEFILSSQCAEFMV-WMLDXEAASA-N -1 1 346.333 2.784 20 30 EFEDMM Cn1ccc(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1=O ZINC001168401339 1104256924 /nfs/dbraw/zinc/25/69/24/1104256924.db2.gz IFXDYYSFORPYIK-AWQFTUOYSA-N -1 1 325.290 2.824 20 30 EFEDMM CC(=O)N1CCC(O/C(=N\[O-])c2ccccc2Br)CC1 ZINC001223884148 1105315610 /nfs/dbraw/zinc/31/56/10/1105315610.db2.gz CEXTZOMYFDRCFX-PEZBUJJGSA-N -1 1 341.205 2.612 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCN(C(=O)c3ccc(Cl)cc3[O-])C2)C1=O ZINC001272260908 1107466254 /nfs/dbraw/zinc/46/62/54/1107466254.db2.gz FIPROCWFZDWMPW-GOSISDBHSA-N -1 1 348.830 2.686 20 30 EFEDMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1Cl ZINC000904048389 1107575479 /nfs/dbraw/zinc/57/54/79/1107575479.db2.gz QPDGHUNMIFMOCD-INIZCTEOSA-N -1 1 349.818 2.862 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc(Cl)cc2[O-])C1=O ZINC001272262377 1107856614 /nfs/dbraw/zinc/85/66/14/1107856614.db2.gz YBWJOLLNXZKTCP-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccc(Cl)cc2[O-])C1=O ZINC001272262376 1107857661 /nfs/dbraw/zinc/85/76/61/1107857661.db2.gz YBWJOLLNXZKTCP-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM C=CCN1CC[C@]2(CCCN(C(=O)c3ccc([O-])c(F)c3)CC2)C1=O ZINC001272401732 1108187035 /nfs/dbraw/zinc/18/70/35/1108187035.db2.gz SZESLUKWJOQWCE-LJQANCHMSA-N -1 1 346.402 2.562 20 30 EFEDMM C=C1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000898695048 1109060088 /nfs/dbraw/zinc/06/00/88/1109060088.db2.gz SZHLSWQMZYMQJR-QGZVFWFLSA-N -1 1 336.391 2.548 20 30 EFEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000899096842 1109199719 /nfs/dbraw/zinc/19/97/19/1109199719.db2.gz IDTMEWFETMFHPG-UHFFFAOYSA-N -1 1 347.186 2.524 20 30 EFEDMM Cc1cc(C)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(C)c1 ZINC000914599747 1111283825 /nfs/dbraw/zinc/28/38/25/1111283825.db2.gz ISMIEPMCBSBZLD-UHFFFAOYSA-N -1 1 327.409 2.684 20 30 EFEDMM CSc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914600935 1111284092 /nfs/dbraw/zinc/28/40/92/1111284092.db2.gz ZDXAZGWVTLAWAQ-UHFFFAOYSA-N -1 1 345.449 2.871 20 30 EFEDMM CC1=C(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C(=O)[C@H](C)O1 ZINC001234877531 1111428863 /nfs/dbraw/zinc/42/88/63/1111428863.db2.gz NIUQKWGGQVJEJV-YFKPBYRVSA-N -1 1 344.117 2.661 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2Cc2ccc([O-])c(F)c2F)C1=O ZINC001272724477 1119496827 /nfs/dbraw/zinc/49/68/27/1119496827.db2.gz JAVDDCSEZINNCQ-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM C#C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000185333840 1120031878 /nfs/dbraw/zinc/03/18/78/1120031878.db2.gz URHISNVBMQPWMJ-AWEZNQCLSA-N -1 1 342.420 2.547 20 30 EFEDMM C#C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000185367028 1120090950 /nfs/dbraw/zinc/09/09/50/1120090950.db2.gz RVEZDWZCVFLLEG-CQSZACIVSA-N -1 1 342.420 2.547 20 30 EFEDMM CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188528065 529729522 /nfs/dbraw/zinc/72/95/22/529729522.db2.gz BBGUUFIWIFXSOD-OAHLLOKOSA-N -1 1 326.352 2.633 20 30 EFEDMM CC(C)n1c(CNC(=O)C=Cc2ccccc2C#N)n[n-]c1=S ZINC000067071656 215110784 /nfs/dbraw/zinc/11/07/84/215110784.db2.gz ATUGBQVWGLJBPG-BQYQJAHWSA-N -1 1 327.413 2.723 20 30 EFEDMM N#Cc1cccc(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000159787315 239036735 /nfs/dbraw/zinc/03/67/35/239036735.db2.gz UANOYTNWBLXJBD-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(Br)c2)c(=O)o1 ZINC000023640461 212387069 /nfs/dbraw/zinc/38/70/69/212387069.db2.gz ZOALIJLVCRHSJJ-VBROQKIQSA-N -1 1 335.153 2.677 20 30 EFEDMM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccccc1C(F)(F)F ZINC000192136523 240030096 /nfs/dbraw/zinc/03/00/96/240030096.db2.gz DNYUPWXYLJDJCK-UHFFFAOYSA-N -1 1 339.232 2.884 20 30 EFEDMM C=CCCN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000303827670 241199049 /nfs/dbraw/zinc/19/90/49/241199049.db2.gz XRUQINBSAGSDMV-UHFFFAOYSA-N -1 1 331.153 2.645 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1noc(C2CC2)n1 ZINC000329031925 241288760 /nfs/dbraw/zinc/28/87/60/241288760.db2.gz PXHBORZIGPPIIQ-UHFFFAOYSA-N -1 1 331.376 2.553 20 30 EFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000331422658 241632514 /nfs/dbraw/zinc/63/25/14/241632514.db2.gz FHWGTCUWEFYGRS-HWPZZCPQSA-N -1 1 334.445 2.595 20 30 EFEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1CC#N)OCO2 ZINC000355827484 242046915 /nfs/dbraw/zinc/04/69/15/242046915.db2.gz DWNFIICUBBBYQG-UHFFFAOYSA-N -1 1 330.365 2.591 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc2n[nH]cc21 ZINC000355869753 242049914 /nfs/dbraw/zinc/04/99/14/242049914.db2.gz QWPWXDGIKHIIKE-UHFFFAOYSA-N -1 1 326.381 2.738 20 30 EFEDMM N#CCc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC000361915040 242235832 /nfs/dbraw/zinc/23/58/32/242235832.db2.gz GYBPNJNTQBEVFR-UHFFFAOYSA-N -1 1 330.347 2.959 20 30 EFEDMM N#CC(=C([O-])c1cnc2nccnc2c1)c1cc(C(F)(F)F)ccn1 ZINC000362129236 242243189 /nfs/dbraw/zinc/24/31/89/242243189.db2.gz KVLYVCIMGUJJKW-NSHDSACASA-N -1 1 343.268 2.929 20 30 EFEDMM CC(C)[C@H](C#N)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000362757184 242266919 /nfs/dbraw/zinc/26/69/19/242266919.db2.gz GDSJWFLZNLXLAA-NSHDSACASA-N -1 1 348.200 2.981 20 30 EFEDMM N#CC(=C([O-])c1cnc2nccnc2c1)c1cc(C(F)(F)F)ccn1 ZINC000362129235 242244386 /nfs/dbraw/zinc/24/43/86/242244386.db2.gz KVLYVCIMGUJJKW-LLVKDONJSA-N -1 1 343.268 2.929 20 30 EFEDMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000421929655 246171916 /nfs/dbraw/zinc/17/19/16/246171916.db2.gz XRHQDQACSCMKRL-DOMZBBRYSA-N -1 1 344.411 2.846 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1F ZINC000427205442 247329079 /nfs/dbraw/zinc/32/90/79/247329079.db2.gz SUYRWAATXJKURT-UHFFFAOYSA-N -1 1 342.355 2.888 20 30 EFEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427326864 247337964 /nfs/dbraw/zinc/33/79/64/247337964.db2.gz ISCABPYOQDWRKD-UHFFFAOYSA-N -1 1 334.372 2.687 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)s1 ZINC000435497043 248245284 /nfs/dbraw/zinc/24/52/84/248245284.db2.gz NDPHCZLSZXMYES-UHFFFAOYSA-N -1 1 342.785 2.803 20 30 EFEDMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c([O-])c1 ZINC000436658701 249565643 /nfs/dbraw/zinc/56/56/43/249565643.db2.gz MGOMPJHKQYASOX-UHFFFAOYSA-N -1 1 336.326 2.571 20 30 EFEDMM N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2n1)c1ccncn1 ZINC000442534110 250085482 /nfs/dbraw/zinc/08/54/82/250085482.db2.gz HBUSURARQKBVPV-VIFPVBQESA-N -1 1 332.150 2.921 20 30 EFEDMM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442674360 250100772 /nfs/dbraw/zinc/10/07/72/250100772.db2.gz WEWHBDYOOJJIHF-KPZWWZAWSA-N -1 1 340.379 2.778 20 30 EFEDMM Cc1nc2sccn2c1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442661903 250096649 /nfs/dbraw/zinc/09/66/49/250096649.db2.gz YMYLMZQWCMBYJB-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442662105 250096759 /nfs/dbraw/zinc/09/67/59/250096759.db2.gz DPIIJYLBUOVNDF-GTNSWQLSSA-N -1 1 328.343 2.909 20 30 EFEDMM Cn1c(CNC(=O)c2ccc(C#N)c([O-])c2)nc2cc(Cl)ccc21 ZINC000442817912 250125961 /nfs/dbraw/zinc/12/59/61/250125961.db2.gz FGPSXPFDLRITMQ-UHFFFAOYSA-N -1 1 340.770 2.734 20 30 EFEDMM CCC1CCC(NC(=O)c2ccc(C#N)c([O-])c2)(C(=O)OC)CC1 ZINC000443321002 250184359 /nfs/dbraw/zinc/18/43/59/250184359.db2.gz MAEGCISRPVRLJB-UHFFFAOYSA-N -1 1 330.384 2.506 20 30 EFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](COC)Cc1ccccc1 ZINC000443273060 250178604 /nfs/dbraw/zinc/17/86/04/250178604.db2.gz LKDMSKNXFFOTEF-SFHVURJKSA-N -1 1 338.407 2.984 20 30 EFEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000497297608 269702295 /nfs/dbraw/zinc/70/22/95/269702295.db2.gz KRJQMHCSGHFZAG-UHFFFAOYSA-N -1 1 345.380 2.846 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000344562539 142040491 /nfs/dbraw/zinc/04/04/91/142040491.db2.gz PUNCUPVQSUFVHU-GDBMZVCRSA-N -1 1 330.409 2.841 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2OCc2ccccc2)o1 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Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])c1C#N ZINC000548539772 318118230 /nfs/dbraw/zinc/11/82/30/318118230.db2.gz OKNDATXCFMATFA-UHFFFAOYSA-N -1 1 334.328 2.505 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)ccc1C#N ZINC000567012787 319129983 /nfs/dbraw/zinc/12/99/83/319129983.db2.gz JWGALBJCUVVGSK-UHFFFAOYSA-N -1 1 332.429 2.979 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)cc1[O-] ZINC000571848176 319611343 /nfs/dbraw/zinc/61/13/43/319611343.db2.gz OWFCWZSVIDGCLY-HXUWFJFHSA-N -1 1 334.375 2.874 20 30 EFEDMM C#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000018837833 323211372 /nfs/dbraw/zinc/21/13/72/323211372.db2.gz HBJSQLGPSIZWEG-UHFFFAOYSA-N -1 1 348.811 2.504 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Cl ZINC000193981868 323498099 /nfs/dbraw/zinc/49/80/99/323498099.db2.gz UXZSPPUJCCIBFA-UHFFFAOYSA-N -1 1 334.784 2.947 20 30 EFEDMM C[C@H]1COCCN1c1ccc(/N=C/c2ccc(O)c([O-])c2O)cc1 ZINC000150941574 473383119 /nfs/dbraw/zinc/38/31/19/473383119.db2.gz 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EFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000171704428 473442828 /nfs/dbraw/zinc/44/28/28/473442828.db2.gz MKPJWBJQCNXUMJ-LBPRGKRZSA-N -1 1 328.393 2.991 20 30 EFEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000125726200 473450739 /nfs/dbraw/zinc/45/07/39/473450739.db2.gz HLYHMKPLOFCIQQ-UHFFFAOYSA-N -1 1 330.258 2.926 20 30 EFEDMM CCCCOc1ncccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000191012327 473455926 /nfs/dbraw/zinc/45/59/26/473455926.db2.gz XSTNPHSLLDXVGF-UHFFFAOYSA-N -1 1 325.368 2.768 20 30 EFEDMM C#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000191151965 473491253 /nfs/dbraw/zinc/49/12/53/473491253.db2.gz RRMDGBAROKTRDS-UHFFFAOYSA-N -1 1 342.420 2.501 20 30 EFEDMM COCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673479 473491688 /nfs/dbraw/zinc/49/16/88/473491688.db2.gz YCUSKSXIFCKALD-UHFFFAOYSA-N -1 1 346.408 2.693 20 30 EFEDMM CSc1nc(C)c(CCC(=O)Nc2cccc(C#N)c2C)c(=O)[n-]1 ZINC000178375116 473500649 /nfs/dbraw/zinc/50/06/49/473500649.db2.gz 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477383851 /nfs/dbraw/zinc/38/38/51/477383851.db2.gz RPUQJNCKCAPCPV-CYBMUJFWSA-N -1 1 336.442 2.615 20 30 EFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000412704240 477452433 /nfs/dbraw/zinc/45/24/33/477452433.db2.gz ZHVHGGNCUJLVAO-OAHLLOKOSA-N -1 1 335.407 2.610 20 30 EFEDMM COc1ccc(C(=O)Nc2ncccc2OCCCC#N)c([O-])c1 ZINC000436568388 477518790 /nfs/dbraw/zinc/51/87/90/477518790.db2.gz SPSISAJMPUQVSQ-UHFFFAOYSA-N -1 1 327.340 2.731 20 30 EFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436672658 477553952 /nfs/dbraw/zinc/55/39/52/477553952.db2.gz MZMXOVOKXFGNLW-UHFFFAOYSA-N -1 1 325.364 2.798 20 30 EFEDMM N#Cc1ccc(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436696547 477561055 /nfs/dbraw/zinc/56/10/55/477561055.db2.gz HTDFURNMCFEMMD-UHFFFAOYSA-N -1 1 348.280 2.895 20 30 EFEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436768513 477584917 /nfs/dbraw/zinc/58/49/17/477584917.db2.gz WXEAOLAXLUEBDZ-UHFFFAOYSA-N -1 1 347.292 2.762 20 30 EFEDMM 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Cc1nc(C2(NC(=O)c3ccc(C#N)c([O-])c3)CCCCC2)no1 ZINC000615427387 479673030 /nfs/dbraw/zinc/67/30/30/479673030.db2.gz OKTGPKUSXXCNOW-UHFFFAOYSA-N -1 1 326.356 2.545 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2nc3cc(Cl)ccc3[nH]2)cc1[O-] ZINC000615429161 479673208 /nfs/dbraw/zinc/67/32/08/479673208.db2.gz RPFFFAKEHDJWMM-UHFFFAOYSA-N -1 1 326.743 2.724 20 30 EFEDMM COc1cc(C)c(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000619247983 479730331 /nfs/dbraw/zinc/73/03/31/479730331.db2.gz QXCPEZKNYKVMDS-UHFFFAOYSA-N -1 1 340.379 2.862 20 30 EFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461220 479800075 /nfs/dbraw/zinc/80/00/75/479800075.db2.gz WTPTVHGSAPDLLX-UHFFFAOYSA-N -1 1 344.392 2.730 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1[N+](=O)[O-] ZINC000619461201 479800310 /nfs/dbraw/zinc/80/03/10/479800310.db2.gz UNSZSEXTTSJHIK-UHFFFAOYSA-N -1 1 331.353 2.770 20 30 EFEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463669 479801416 /nfs/dbraw/zinc/80/14/16/479801416.db2.gz MDOKQWAUUVIVHK-UHFFFAOYSA-N -1 1 326.328 2.523 20 30 EFEDMM COC[C@H](C)Nc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619558344 479827431 /nfs/dbraw/zinc/82/74/31/479827431.db2.gz ZEUXKWLJMKGOKF-LBPRGKRZSA-N -1 1 325.368 2.963 20 30 EFEDMM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619558343 479828057 /nfs/dbraw/zinc/82/80/57/479828057.db2.gz ZEUXKWLJMKGOKF-GFCCVEGCSA-N -1 1 325.368 2.963 20 30 EFEDMM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000617421432 480210659 /nfs/dbraw/zinc/21/06/59/480210659.db2.gz RHAYYLDISOEYHA-MRXNPFEDSA-N -1 1 330.384 2.506 20 30 EFEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000610123885 480240963 /nfs/dbraw/zinc/24/09/63/480240963.db2.gz NWLSUFRGERZYAQ-UHFFFAOYSA-N -1 1 343.408 2.650 20 30 EFEDMM CCCC(=O)Nc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614296829 480257398 /nfs/dbraw/zinc/25/73/98/480257398.db2.gz VCBIZTUGUVNMCE-UHFFFAOYSA-N -1 1 337.379 2.932 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000614298003 480257786 /nfs/dbraw/zinc/25/77/86/480257786.db2.gz JBJKLHNRIHVJFH-UHFFFAOYSA-N -1 1 336.326 2.519 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2nccn2CCc2ccccc2)c1 ZINC000614300451 480259356 /nfs/dbraw/zinc/25/93/56/480259356.db2.gz HXFQIPJWTVAZEI-UHFFFAOYSA-N -1 1 346.390 2.633 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c1 ZINC000614370493 480285883 /nfs/dbraw/zinc/28/58/83/480285883.db2.gz APAHHIUOCRYBPE-INIZCTEOSA-N -1 1 336.391 2.943 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c1 ZINC000614370511 480286348 /nfs/dbraw/zinc/28/63/48/480286348.db2.gz FHXQOVBZAAGMRM-UHFFFAOYSA-N -1 1 340.354 2.839 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000614370595 480286690 /nfs/dbraw/zinc/28/66/90/480286690.db2.gz QUYGIKAMUGAOML-CYBMUJFWSA-N -1 1 332.363 2.941 20 30 EFEDMM CC(C)(CO)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614374483 480287020 /nfs/dbraw/zinc/28/70/20/480287020.db2.gz LLCLNMCOCJYWHZ-SFHVURJKSA-N -1 1 338.407 2.796 20 30 EFEDMM Cc1cc(C#N)cnc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000645779913 480929815 /nfs/dbraw/zinc/92/98/15/480929815.db2.gz UDUGVLGPEGIOJA-UHFFFAOYSA-N -1 1 349.390 2.702 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172589418 534345513 /nfs/dbraw/zinc/34/55/13/534345513.db2.gz RXUPIXLWONUYTJ-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1F ZINC000076935745 519707097 /nfs/dbraw/zinc/70/70/97/519707097.db2.gz VXAMOMKEAHMEEI-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000063443986 519707125 /nfs/dbraw/zinc/70/71/25/519707125.db2.gz LDNNOBDRFYJQDL-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076936034 519713134 /nfs/dbraw/zinc/71/31/34/519713134.db2.gz JMUNXHAEIMHEQU-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1C ZINC000157713116 522159613 /nfs/dbraw/zinc/15/96/13/522159613.db2.gz DDGIARYSHFZSES-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1C#N ZINC000137307592 524805875 /nfs/dbraw/zinc/80/58/75/524805875.db2.gz FAFBZPPYMYAXDH-UHFFFAOYSA-N -1 1 334.328 2.505 20 30 EFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000120542926 526530671 /nfs/dbraw/zinc/53/06/71/526530671.db2.gz NMXDVKOJMDOEOM-UHFFFAOYSA-N -1 1 339.279 2.545 20 30 EFEDMM C=C(C)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000154296895 526622208 /nfs/dbraw/zinc/62/22/08/526622208.db2.gz FWOYXSLOPGJTLB-UHFFFAOYSA-N -1 1 332.278 2.809 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000088447209 526685824 /nfs/dbraw/zinc/68/58/24/526685824.db2.gz VZNHWXLCLMMHTG-UHFFFAOYSA-N -1 1 338.186 2.517 20 30 EFEDMM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188243407 527538105 /nfs/dbraw/zinc/53/81/05/527538105.db2.gz GWLSYNXQHISSAI-UHFFFAOYSA-N -1 1 337.379 2.788 20 30 EFEDMM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000174729709 527541776 /nfs/dbraw/zinc/54/17/76/527541776.db2.gz IQWDPSBMJJFBFE-UHFFFAOYSA-N -1 1 344.392 2.721 20 30 EFEDMM CCCCCCCS(=O)(=O)[N-]c1cn(C)nc1-c1cnn(C)c1 ZINC000281948547 534989262 /nfs/dbraw/zinc/98/92/62/534989262.db2.gz LVRJIVJWKISWCS-UHFFFAOYSA-N -1 1 339.465 2.533 20 30 EFEDMM CC1CC(C#N)(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000676035166 548395011 /nfs/dbraw/zinc/39/50/11/548395011.db2.gz KBHKJRAQOUBGLU-UHFFFAOYSA-N -1 1 326.396 2.753 20 30 EFEDMM C=CCN1C(=O)C(=N[N-]c2ccc(C(F)(F)F)nn2)c2ccccc21 ZINC000754711078 575475782 /nfs/dbraw/zinc/47/57/82/575475782.db2.gz SCKNGXQWAQCYBG-UHFFFAOYSA-N -1 1 347.300 2.844 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]nc2-c2cccc(Cl)c2)n1 ZINC000755457101 575588382 /nfs/dbraw/zinc/58/83/82/575588382.db2.gz YLKUHTJHZYBLEU-UHFFFAOYSA-N -1 1 328.763 2.980 20 30 EFEDMM CCn1ccnc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000755589767 575604354 /nfs/dbraw/zinc/60/43/54/575604354.db2.gz APDKNEGYQNEGFL-UHFFFAOYSA-N -1 1 344.469 2.958 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000755616291 575608866 /nfs/dbraw/zinc/60/88/66/575608866.db2.gz BLRHDWCSKZNAGD-CYBMUJFWSA-N -1 1 344.477 2.914 20 30 EFEDMM C[C@H](CC=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000755639190 575611749 /nfs/dbraw/zinc/61/17/49/575611749.db2.gz FXSMYYHFLVONAN-CYBMUJFWSA-N -1 1 327.409 2.905 20 30 EFEDMM COc1ccc(NC(=S)NN=Cc2cccc(F)c2[O-])cc1F ZINC000755690041 575619393 /nfs/dbraw/zinc/61/93/93/575619393.db2.gz ZEYYACUWXSULJU-UHFFFAOYSA-N -1 1 337.351 3.000 20 30 EFEDMM CN(C)c1ccc(NC(=S)NN=Cc2cccc(F)c2[O-])cc1 ZINC000755696731 575620321 /nfs/dbraw/zinc/62/03/21/575620321.db2.gz SWMGKBHZSRHJDV-UHFFFAOYSA-N -1 1 332.404 2.918 20 30 EFEDMM COc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1C#N ZINC000756369002 575724864 /nfs/dbraw/zinc/72/48/64/575724864.db2.gz XLYNYRRVXOPPIR-INIZCTEOSA-N -1 1 332.306 2.761 20 30 EFEDMM C[C@@H](C=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000756878701 575795857 /nfs/dbraw/zinc/79/58/57/575795857.db2.gz DLHXPUFJFXQSIR-NSHDSACASA-N -1 1 331.372 2.654 20 30 EFEDMM COC(=O)c1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756905717 575799656 /nfs/dbraw/zinc/79/96/56/575799656.db2.gz GKNBQSINEPLWTF-UHFFFAOYSA-N -1 1 328.324 2.626 20 30 EFEDMM CC(N=Nc1nc(-c2ccncc2)no1)c1cc(F)cc(F)c1[O-] ZINC000757460249 575839722 /nfs/dbraw/zinc/83/97/22/575839722.db2.gz ALJJXDHZFRZSNO-UHFFFAOYSA-N -1 1 331.282 2.952 20 30 EFEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc(N3CCCC3)nc2)c1 ZINC000757468167 575839801 /nfs/dbraw/zinc/83/98/01/575839801.db2.gz OSBYIBONNMSDAR-GQCTYLIASA-N -1 1 325.368 2.687 20 30 EFEDMM CC(N=Nc1ccccc1S(C)(=O)=O)c1ccccc1C(=O)[O-] ZINC000757465387 575839805 /nfs/dbraw/zinc/83/98/05/575839805.db2.gz NNCLHYAJQUIZRZ-UHFFFAOYSA-N -1 1 332.381 2.624 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000757468701 575840229 /nfs/dbraw/zinc/84/02/29/575840229.db2.gz VOPBPBPBUMROBY-HYXAFXHYSA-N -1 1 345.307 2.919 20 30 EFEDMM COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000757472660 575840236 /nfs/dbraw/zinc/84/02/36/575840236.db2.gz QWFUASQCGLYEHG-YVMONPNESA-N -1 1 328.320 2.760 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccccc2-n2cncn2)c1 ZINC000757473810 575840317 /nfs/dbraw/zinc/84/03/17/575840317.db2.gz PWYBOGZFVCJYPQ-FNORWQNLSA-N -1 1 335.319 2.567 20 30 EFEDMM CC1(C)CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000757574623 575842707 /nfs/dbraw/zinc/84/27/07/575842707.db2.gz GYKHEFWNYXEBBE-UHFFFAOYSA-N -1 1 339.417 2.970 20 30 EFEDMM CC[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000758374349 575868034 /nfs/dbraw/zinc/86/80/34/575868034.db2.gz FHFPWNZUGCKTIR-LBPRGKRZSA-N -1 1 325.390 2.580 20 30 EFEDMM COC(=O)[C@@H](C)Oc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000758433269 575869632 /nfs/dbraw/zinc/86/96/32/575869632.db2.gz GGRPGWHTTJXFMZ-BIPYJSMBSA-N -1 1 342.347 2.934 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)nc2Cl)c(=O)o1 ZINC000761475154 576167691 /nfs/dbraw/zinc/16/76/91/576167691.db2.gz MVHDFGYVQXVVEN-DTRQGZQOSA-N -1 1 326.135 2.617 20 30 EFEDMM [O-]c1ccc(Cl)c(F)c1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761837190 576217637 /nfs/dbraw/zinc/21/76/37/576217637.db2.gz UMOJJCMOVFYHDP-UHFFFAOYSA-N -1 1 332.726 2.606 20 30 EFEDMM CC(N=Nc1ccc(-n2ccnc2)nn1)c1ccc([O-])c(Cl)c1 ZINC000761860991 576222018 /nfs/dbraw/zinc/22/20/18/576222018.db2.gz QUJVFXNBNRYAIZ-UHFFFAOYSA-N -1 1 328.763 2.857 20 30 EFEDMM CCc1nnsc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764301189 576446973 /nfs/dbraw/zinc/44/69/73/576446973.db2.gz FNYAQXUEEKRHHH-UHFFFAOYSA-N -1 1 337.748 2.786 20 30 EFEDMM CC(C)(C#N)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765538267 577052707 /nfs/dbraw/zinc/05/27/07/577052707.db2.gz UUCOGCFKABYRAK-UHFFFAOYSA-N -1 1 326.194 2.504 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000766473322 577155397 /nfs/dbraw/zinc/15/53/97/577155397.db2.gz CCDUJWDIRBXNKU-UHFFFAOYSA-N -1 1 349.828 2.586 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1F ZINC000766549575 577165147 /nfs/dbraw/zinc/16/51/47/577165147.db2.gz ZPROVAMNGWWLQJ-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM C#CCCN(Cn1[n-]c(-c2ccccn2)nc1=S)CC(F)(F)F ZINC000767507465 577210454 /nfs/dbraw/zinc/21/04/54/577210454.db2.gz XWHNKKKVUWEONO-UHFFFAOYSA-N -1 1 341.362 2.848 20 30 EFEDMM COc1cccc([C@H](C#N)NC(=O)c2ccc([O-])c(F)c2)c1OC ZINC000767962562 577245548 /nfs/dbraw/zinc/24/55/48/577245548.db2.gz JSVIMRWOCOJAAI-ZDUSSCGKSA-N -1 1 330.315 2.543 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000726738650 577383172 /nfs/dbraw/zinc/38/31/72/577383172.db2.gz YLHUTUJFZMTDMQ-UHFFFAOYSA-N -1 1 345.311 2.542 20 30 EFEDMM C#CCN(CC(=O)[N-]OCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000772175393 581292310 /nfs/dbraw/zinc/29/23/10/581292310.db2.gz MDMLJCAZXQRBOT-HXUWFJFHSA-N -1 1 334.419 2.857 20 30 EFEDMM CCCCC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC ZINC000772820209 581371911 /nfs/dbraw/zinc/37/19/11/581371911.db2.gz DWTHFROXJBLTSX-CQSZACIVSA-N -1 1 344.477 2.502 20 30 EFEDMM COc1c([O-])c(C=NNc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000772992237 581386113 /nfs/dbraw/zinc/38/61/13/581386113.db2.gz ZOWZNQIQVSAJHO-UHFFFAOYSA-N -1 1 332.272 2.663 20 30 EFEDMM COC(=O)c1cccc(COC(=O)c2ccc([O-])cc2F)c1C#N ZINC000773566475 581446294 /nfs/dbraw/zinc/44/62/94/581446294.db2.gz OALZYWQRHNOEPG-UHFFFAOYSA-N -1 1 329.283 2.547 20 30 EFEDMM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773578079 581447808 /nfs/dbraw/zinc/44/78/08/581447808.db2.gz VLPBEPQOKDAABV-UHFFFAOYSA-N -1 1 348.717 2.852 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3cc(Br)ccc32)n1 ZINC000774574311 581494456 /nfs/dbraw/zinc/49/44/56/581494456.db2.gz DHXUTOAWAOPOSY-UHFFFAOYSA-N -1 1 349.188 2.852 20 30 EFEDMM C=C(Br)CNCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000736095376 599859753 /nfs/dbraw/zinc/85/97/53/599859753.db2.gz STPQWRBIPZRFBL-UHFFFAOYSA-N -1 1 328.206 2.765 20 30 EFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000819855820 597636392 /nfs/dbraw/zinc/63/63/92/597636392.db2.gz DEUDXVHQDRCAOL-QGZVFWFLSA-N -1 1 338.323 2.766 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820374405 598160351 /nfs/dbraw/zinc/16/03/51/598160351.db2.gz QCDBSMJNXWXHAU-LLVKDONJSA-N -1 1 344.348 2.508 20 30 EFEDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]c2c1 ZINC000821103709 598225998 /nfs/dbraw/zinc/22/59/98/598225998.db2.gz MWMBDIVBOQAGAX-KBXCAEBGSA-N -1 1 340.383 2.539 20 30 EFEDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@](C)(C#N)CC(=O)[O-])[nH]c2c1 ZINC000821103713 598226041 /nfs/dbraw/zinc/22/60/41/598226041.db2.gz MWMBDIVBOQAGAX-KSSFIOAISA-N -1 1 340.383 2.539 20 30 EFEDMM N#Cc1cccc(OC2CCN(Cc3occc3C(=O)[O-])CC2)c1 ZINC000739134125 599795314 /nfs/dbraw/zinc/79/53/14/599795314.db2.gz WAUQNUJJEYQMDQ-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM N#CCCCCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000739069139 599847646 /nfs/dbraw/zinc/84/76/46/599847646.db2.gz MBETZLKTTGRGPA-INIZCTEOSA-N -1 1 335.835 2.777 20 30 EFEDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc2ccccc2n1 ZINC000738922496 600004155 /nfs/dbraw/zinc/00/41/55/600004155.db2.gz JKFHZWKQHGPYAR-UHFFFAOYSA-N -1 1 337.383 2.969 20 30 EFEDMM Cc1nn(CCC(=O)[O-])c(C)c1C=NN=c1ccc2ccccc2[nH]1 ZINC000738922496 600004157 /nfs/dbraw/zinc/00/41/57/600004157.db2.gz JKFHZWKQHGPYAR-UHFFFAOYSA-N -1 1 337.383 2.969 20 30 EFEDMM NC(=NOCc1cc(C(=O)[O-])co1)c1ccc(N2CCCCC2)cc1 ZINC000833078996 601056535 /nfs/dbraw/zinc/05/65/35/601056535.db2.gz UKGXUKSJAAZUCP-UHFFFAOYSA-N -1 1 343.383 2.805 20 30 EFEDMM CC(=O)Nc1cccc2c1CCN([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000825916942 601312313 /nfs/dbraw/zinc/31/23/13/601312313.db2.gz AVDGJAJZMIPZFW-IBGZPJMESA-N -1 1 349.390 2.701 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000830894543 601945511 /nfs/dbraw/zinc/94/55/11/601945511.db2.gz MIXSONGXIHFTGY-ZZODWALSSA-N -1 1 342.439 2.664 20 30 EFEDMM CC(C)Oc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1C#N ZINC000824329225 607551426 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Cc1nc(-c2nn[n-]n2)c(N=NC[C@H](C)CCc2ccccc2)o1 ZINC000822424150 606434697 /nfs/dbraw/zinc/43/46/97/606434697.db2.gz SDQNLXDHGQJMQQ-LLVKDONJSA-N -1 1 325.376 2.830 20 30 EFEDMM CC(=NNc1ccc(-c2nn[nH]n2)cc1)c1cc(F)cc(F)c1[O-] ZINC000819772818 606856240 /nfs/dbraw/zinc/85/62/40/606856240.db2.gz LXQKDRYGEVZWKE-UHFFFAOYSA-N -1 1 330.298 2.687 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)CC2CCOCC2)o1 ZINC000820235974 606860900 /nfs/dbraw/zinc/86/09/00/606860900.db2.gz VUMCLNWMOHGPOY-UHFFFAOYSA-N -1 1 347.423 2.658 20 30 EFEDMM N#Cc1ccccc1-c1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826387309 608013855 /nfs/dbraw/zinc/01/38/55/608013855.db2.gz OULFEQLODZENSI-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM N#Cc1ccccc1-c1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826387309 608013856 /nfs/dbraw/zinc/01/38/56/608013856.db2.gz OULFEQLODZENSI-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401186 608092406 /nfs/dbraw/zinc/09/24/06/608092406.db2.gz 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EFEDMM N#CCSCCCOC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000805542206 1280612053 /nfs/dbraw/zinc/61/20/53/1280612053.db2.gz JEOKPWZWUHIRMJ-UHFFFAOYSA-N -1 1 335.360 2.521 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000806856423 1281164839 /nfs/dbraw/zinc/16/48/39/1281164839.db2.gz GMHAHTDASVXXGQ-MRXNPFEDSA-N -1 1 338.363 2.572 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNc2nccnc2C2CCC2)c1 ZINC000807993553 1281486557 /nfs/dbraw/zinc/48/65/57/1281486557.db2.gz AGBSPEHKKQZINE-UHFFFAOYSA-N -1 1 326.356 2.682 20 30 EFEDMM C[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000807975312 1281495379 /nfs/dbraw/zinc/49/53/79/1281495379.db2.gz OGVWEYAMYJWLOV-LLVKDONJSA-N -1 1 345.380 2.785 20 30 EFEDMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc(C#N)cnc3C)cc2)[n-]1 ZINC001148329237 1281499428 /nfs/dbraw/zinc/49/94/28/1281499428.db2.gz LGJCKMZTLPAQBF-UHFFFAOYSA-N -1 1 333.351 2.627 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1Cl ZINC000808124202 1281547201 /nfs/dbraw/zinc/54/72/01/1281547201.db2.gz NHRGZDPHEJWNCV-UHFFFAOYSA-N -1 1 348.767 2.683 20 30 EFEDMM N#C[C@H]1CC[C@H](NC(=O)c2cc([O-])c(Br)c(O)c2)CC1 ZINC001148990663 1281836214 /nfs/dbraw/zinc/83/62/14/1281836214.db2.gz XIVYSICCIJUOSC-CZMCAQCFSA-N -1 1 339.189 2.672 20 30 EFEDMM CC1N=NC(=S)N1N=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872329521 1287540974 /nfs/dbraw/zinc/54/09/74/1287540974.db2.gz PEKKYKLRHBHBKC-UHFFFAOYSA-N -1 1 340.434 2.561 20 30 EFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NNC2CCOCC2)cs1 ZINC000872356242 1287548648 /nfs/dbraw/zinc/54/86/48/1287548648.db2.gz GOKKVUOSHVAEGS-UHFFFAOYSA-N -1 1 326.422 2.593 20 30 EFEDMM CC(C)OCCNN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872364829 1287552870 /nfs/dbraw/zinc/55/28/70/1287552870.db2.gz UUAJEGOULRIURX-UHFFFAOYSA-N -1 1 328.438 2.839 20 30 EFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN[C@H]2CCSC2)cs1 ZINC000872374527 1287556129 /nfs/dbraw/zinc/55/61/29/1287556129.db2.gz ZIFUCVOGTWWSGM-VIFPVBQESA-N -1 1 328.463 2.919 20 30 EFEDMM COc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1OC(C)C ZINC000809603561 1282338204 /nfs/dbraw/zinc/33/82/04/1282338204.db2.gz GZGFNSVFCBZQAT-UHFFFAOYSA-N -1 1 340.379 2.990 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000809629232 1282349827 /nfs/dbraw/zinc/34/98/27/1282349827.db2.gz IUYXYKFOLMGWMI-CYBMUJFWSA-N -1 1 349.390 2.882 20 30 EFEDMM CC(C)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)NC(=O)OC(C)(C)C ZINC000809682532 1282402730 /nfs/dbraw/zinc/40/27/30/1282402730.db2.gz SMXCIFCSXMKZLJ-OAHLLOKOSA-N -1 1 347.415 2.543 20 30 EFEDMM C[C@H](CC(=O)OCc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809734419 1282413612 /nfs/dbraw/zinc/41/36/12/1282413612.db2.gz GKLDJRJBKFVUDG-CYBMUJFWSA-N -1 1 338.363 2.516 20 30 EFEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)cccc1N1CCOC1=O ZINC000809704305 1282415985 /nfs/dbraw/zinc/41/59/85/1282415985.db2.gz YTRJGNSDGVDQAI-UHFFFAOYSA-N -1 1 337.335 2.781 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000809715274 1282422976 /nfs/dbraw/zinc/42/29/76/1282422976.db2.gz FWHZSMOVQQCQMK-UHFFFAOYSA-N -1 1 331.715 2.755 20 30 EFEDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000747654290 1283830000 /nfs/dbraw/zinc/83/00/00/1283830000.db2.gz MSXYLBVZGGIMPV-UHFFFAOYSA-N -1 1 348.819 2.632 20 30 EFEDMM CCC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)C12CC3CC(CC(C3)C1)C2 ZINC000811641899 1284474444 /nfs/dbraw/zinc/47/44/44/1284474444.db2.gz AQQAPAVTVHMXAR-UHFFFAOYSA-N -1 1 340.431 2.826 20 30 EFEDMM CC(C)(C)c1ccc2[nH]cc(C=Nn3c(=O)cn[n-]c3=S)c2c1 ZINC000811649119 1284482779 /nfs/dbraw/zinc/48/27/79/1284482779.db2.gz BNKSQZBJRLKYBE-UHFFFAOYSA-N -1 1 327.413 2.588 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2C(F)(F)F)c(=O)o1 ZINC000811685238 1284512750 /nfs/dbraw/zinc/51/27/50/1284512750.db2.gz MNQUAZJTESUNGV-ZZKXABKFSA-N -1 1 330.283 2.995 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C/C=C\c1ccc(F)cc1 ZINC000747763305 1284828580 /nfs/dbraw/zinc/82/85/80/1284828580.db2.gz BTEYWEZFWQQCGI-SDGJVLBASA-N -1 1 349.343 2.711 20 30 EFEDMM [O-]c1cc(F)c(Cl)cc1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000814765545 1287009315 /nfs/dbraw/zinc/00/93/15/1287009315.db2.gz JSAGVQFFPNIVCX-LLVKDONJSA-N -1 1 342.783 2.799 20 30 EFEDMM Cn1c(=O)c2ccccc2nc1NN=Cc1cccc([O-])c1Cl ZINC000814771584 1287014348 /nfs/dbraw/zinc/01/43/48/1287014348.db2.gz YVLYCCZJNIJDPH-UHFFFAOYSA-N -1 1 328.759 2.739 20 30 EFEDMM CSc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)s1 ZINC000814798407 1287027873 /nfs/dbraw/zinc/02/78/73/1287027873.db2.gz FFCWSDBJMKHLIP-UHFFFAOYSA-N -1 1 337.451 2.543 20 30 EFEDMM CC(=NNc1ccncc1Cl)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814869022 1287109980 /nfs/dbraw/zinc/10/99/80/1287109980.db2.gz QMTUWBKFMJESRR-LLVKDONJSA-N -1 1 333.775 2.845 20 30 EFEDMM COC(=O)c1ccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)nc1 ZINC000814887463 1287127375 /nfs/dbraw/zinc/12/73/75/1287127375.db2.gz RHPLFFJXFSQOSW-UHFFFAOYSA-N -1 1 327.340 2.629 20 30 EFEDMM Cc1c(C=Nn2c(=O)cn[n-]c2=S)sc2c1cccc2Cl ZINC000814916408 1287174183 /nfs/dbraw/zinc/17/41/83/1287174183.db2.gz TXDCVGVVLFWNCY-UHFFFAOYSA-N -1 1 336.829 2.986 20 30 EFEDMM CC(C)N1c2ccccc2C(=NN=c2[n-]c(-c3cccnc3)no2)C1=O ZINC000814947917 1287178278 /nfs/dbraw/zinc/17/82/78/1287178278.db2.gz QCPLDPMUWVIZNP-UHFFFAOYSA-N -1 1 348.366 2.703 20 30 EFEDMM CC(C)N1c2ccccc2C(=NN=c2nc(-c3cccnc3)[n-]o2)C1=O ZINC000814947917 1287178283 /nfs/dbraw/zinc/17/82/83/1287178283.db2.gz QCPLDPMUWVIZNP-UHFFFAOYSA-N -1 1 348.366 2.703 20 30 EFEDMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])s3)cc2C#N)CC1 ZINC001174810150 1287190060 /nfs/dbraw/zinc/19/00/60/1287190060.db2.gz IEAUWMHCDFLHNV-UHFFFAOYSA-N -1 1 342.424 2.813 20 30 EFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)o1 ZINC000815906680 1287876018 /nfs/dbraw/zinc/87/60/18/1287876018.db2.gz GNYFZNKUJRMBBI-ZDUSSCGKSA-N -1 1 327.340 2.515 20 30 EFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)o1 ZINC000815906679 1287876252 /nfs/dbraw/zinc/87/62/52/1287876252.db2.gz GNYFZNKUJRMBBI-CYBMUJFWSA-N -1 1 327.340 2.515 20 30 EFEDMM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000815976854 1287921437 /nfs/dbraw/zinc/92/14/37/1287921437.db2.gz XZEKAYDXIOYEBS-LBPRGKRZSA-N -1 1 346.736 2.912 20 30 EFEDMM N#C[C@H](c1ccccc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000852007185 1299500181 /nfs/dbraw/zinc/50/01/81/1299500181.db2.gz KPZFKNZMABUFBR-CQSZACIVSA-N -1 1 325.334 2.642 20 30 EFEDMM N#C[C@@H](c1ccccc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000852007184 1299500611 /nfs/dbraw/zinc/50/06/11/1299500611.db2.gz KPZFKNZMABUFBR-AWEZNQCLSA-N -1 1 325.334 2.642 20 30 EFEDMM Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(C#N)cc2[O-])CC1=O ZINC001180675047 1289603899 /nfs/dbraw/zinc/60/38/99/1289603899.db2.gz ZMOBWPOHXQTBLW-OAHLLOKOSA-N -1 1 349.390 2.872 20 30 EFEDMM COc1ccc(C#CC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001182045512 1290054781 /nfs/dbraw/zinc/05/47/81/1290054781.db2.gz RIOJQQSMMMROQP-UHFFFAOYSA-N -1 1 333.347 2.577 20 30 EFEDMM Cc1c(C=NNc2nc(C)cc(=O)[n-]2)sc2nc(C)nc(C)c12 ZINC000873829894 1290075076 /nfs/dbraw/zinc/07/50/76/1290075076.db2.gz XJOCUOAYUWCYLX-UHFFFAOYSA-N -1 1 328.401 2.867 20 30 EFEDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)ccc1[O-] ZINC001232674795 1312757727 /nfs/dbraw/zinc/75/77/27/1312757727.db2.gz FBNBTKDFFXBIQP-IYBDPMFKSA-N -1 1 343.427 2.848 20 30 EFEDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1cc(C#N)ccc1[O-] ZINC001232674886 1312757892 /nfs/dbraw/zinc/75/78/92/1312757892.db2.gz GJBXHUXFJHLJNJ-HZPDHXFCSA-N -1 1 343.427 2.848 20 30 EFEDMM CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232680918 1312760879 /nfs/dbraw/zinc/76/08/79/1312760879.db2.gz IVEUDPMIUUMIQM-GOSISDBHSA-N -1 1 349.406 2.703 20 30 EFEDMM N#Cc1ccc([O-])c(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c1 ZINC001232680051 1312761009 /nfs/dbraw/zinc/76/10/09/1312761009.db2.gz AMZLFXIVRHZKEF-UHFFFAOYSA-N -1 1 347.418 2.715 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3ccc(F)c([O-])c3F)CC2)cc1 ZINC001232935001 1312812226 /nfs/dbraw/zinc/81/22/26/1312812226.db2.gz MDWLQAJAAOVCFO-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186260772 1290915590 /nfs/dbraw/zinc/91/55/90/1290915590.db2.gz CFOSDHIBJXRYAJ-UHFFFAOYSA-N -1 1 344.421 2.926 20 30 EFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186263633 1290917000 /nfs/dbraw/zinc/91/70/00/1290917000.db2.gz YWIYJNRTBMZFJV-UHFFFAOYSA-N -1 1 330.394 2.672 20 30 EFEDMM CCCCOC(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1[O-])C1CC1 ZINC001186299148 1290932388 /nfs/dbraw/zinc/93/23/88/1290932388.db2.gz XGKIPOIQZGEGBQ-HNNXBMFYSA-N -1 1 331.372 2.507 20 30 EFEDMM N#Cc1cccc(N2CCN(Cc3cc([O-])c(F)c(F)c3)CC2)c1 ZINC001232975793 1312824623 /nfs/dbraw/zinc/82/46/23/1312824623.db2.gz QOPHOORBWUCAHO-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)C1CC(Oc2ccccc2)C1 ZINC001186868204 1291028338 /nfs/dbraw/zinc/02/83/38/1291028338.db2.gz BXEGVAXOSFYNPA-UHFFFAOYSA-N -1 1 325.368 2.670 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cccc([O-])c2Cl)C1=O ZINC001273546450 1291217809 /nfs/dbraw/zinc/21/78/09/1291217809.db2.gz PTIHNBNZUCBGSN-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)c1n[n-]nc1C(F)(F)F ZINC001187759097 1291229958 /nfs/dbraw/zinc/22/99/58/1291229958.db2.gz SBJYBZPENPSKIL-UHFFFAOYSA-N -1 1 326.282 2.504 20 30 EFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1[nH]c(C)c(C)c1C#N ZINC001187986548 1291279799 /nfs/dbraw/zinc/27/97/99/1291279799.db2.gz BRFDPFGXRBDHMW-UHFFFAOYSA-N -1 1 346.412 2.517 20 30 EFEDMM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1F ZINC001203674724 1291311137 /nfs/dbraw/zinc/31/11/37/1291311137.db2.gz RVARURPMKLGJFD-UHFFFAOYSA-N -1 1 343.742 2.873 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1ncsc1C(F)(F)F ZINC001188214889 1291343084 /nfs/dbraw/zinc/34/30/84/1291343084.db2.gz PHCDMRHCDGPQJQ-UHFFFAOYSA-N -1 1 330.291 2.601 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cccc(-c3cnc(N)nc3)c2)c([O-])c1 ZINC001188462128 1291394688 /nfs/dbraw/zinc/39/46/88/1291394688.db2.gz GPJHVRWIPCIHGF-UHFFFAOYSA-N -1 1 331.335 2.555 20 30 EFEDMM C=CCC[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189053010 1291563540 /nfs/dbraw/zinc/56/35/40/1291563540.db2.gz OVCGLFOEWUTEOC-UHFFFAOYSA-N -1 1 326.162 2.582 20 30 EFEDMM C=CCCC[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189055314 1291563682 /nfs/dbraw/zinc/56/36/82/1291563682.db2.gz UHOHGFWNSUHUJR-UHFFFAOYSA-N -1 1 340.189 2.972 20 30 EFEDMM COc1ccc(C#N)c(C(=O)Nc2ncc([O-])cc2Br)c1 ZINC001189073712 1291573547 /nfs/dbraw/zinc/57/35/47/1291573547.db2.gz BGFYARHXAGXEJP-UHFFFAOYSA-N -1 1 348.156 2.682 20 30 EFEDMM N#Cc1cccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1F ZINC001189686856 1291801827 /nfs/dbraw/zinc/80/18/27/1291801827.db2.gz LJWIVVAULAMEBQ-UHFFFAOYSA-N -1 1 326.299 2.917 20 30 EFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000775296080 1291821001 /nfs/dbraw/zinc/82/10/01/1291821001.db2.gz QZBZDMMWLSMBFV-UHFFFAOYSA-N -1 1 345.376 2.506 20 30 EFEDMM CC(C)(C)C(=O)Nc1cnccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001189767615 1291849208 /nfs/dbraw/zinc/84/92/08/1291849208.db2.gz UHNGGOIOOOYOPU-UHFFFAOYSA-N -1 1 338.367 2.896 20 30 EFEDMM COc1cc([O-])c(C(=O)Nc2ccc(F)c(CC#N)c2)c(OC)c1 ZINC001190144874 1292004284 /nfs/dbraw/zinc/00/42/84/1292004284.db2.gz HBXBJKGAPFQUAH-UHFFFAOYSA-N -1 1 330.315 2.867 20 30 EFEDMM N#C[C@@H](NC(=O)c1cnc(-c2ccccc2)[n-]c1=O)c1ccccc1 ZINC001190257910 1292085344 /nfs/dbraw/zinc/08/53/44/1292085344.db2.gz LWTPPEKARAQFHR-MRXNPFEDSA-N -1 1 330.347 2.844 20 30 EFEDMM N#Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)cc1F ZINC001190267478 1292090639 /nfs/dbraw/zinc/09/06/39/1292090639.db2.gz HYWSXEOHEDSDDZ-UHFFFAOYSA-N -1 1 348.337 2.790 20 30 EFEDMM Cc1nc(C(F)(F)F)c(C(=O)N([O-])C(=N)c2ccccc2N)s1 ZINC001190498471 1292207889 /nfs/dbraw/zinc/20/78/89/1292207889.db2.gz PBLIQVUVXGKHDE-UHFFFAOYSA-N -1 1 344.318 2.909 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cnnc(Cl)c2Cl)c1 ZINC001190617352 1292229295 /nfs/dbraw/zinc/22/92/95/1292229295.db2.gz HIYUGJHHNDKWKA-UHFFFAOYSA-N -1 1 347.158 2.595 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC001190647594 1292263429 /nfs/dbraw/zinc/26/34/29/1292263429.db2.gz AMWBRTLTMJNERW-UHFFFAOYSA-N -1 1 326.736 2.857 20 30 EFEDMM COc1c(F)ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1F ZINC001190650646 1292264414 /nfs/dbraw/zinc/26/44/14/1292264414.db2.gz KIZBWSHQIGIFLD-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM C=CCC1(S(=O)(=O)[N-]c2cnc3c(C(F)(F)F)cnn3c2)CC1 ZINC001190776312 1292309027 /nfs/dbraw/zinc/30/90/27/1292309027.db2.gz BGHXPTVXHZFWON-UHFFFAOYSA-N -1 1 346.334 2.599 20 30 EFEDMM C=CCC1(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(C)=O)CC1 ZINC001190805329 1292323534 /nfs/dbraw/zinc/32/35/34/1292323534.db2.gz HNDYXHPBQBCISC-UHFFFAOYSA-N -1 1 339.413 2.757 20 30 EFEDMM CCOC[C@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2nn(CC)cc21 ZINC001233385088 1312918383 /nfs/dbraw/zinc/91/83/83/1312918383.db2.gz UJJOJQZPWDNPSH-MRXNPFEDSA-N -1 1 340.427 2.616 20 30 EFEDMM N#Cc1ccc(CN2CCN(c3cccc(Cl)c3)C(=O)C2)c([O-])c1 ZINC001233387201 1312919682 /nfs/dbraw/zinc/91/96/82/1312919682.db2.gz ZMMCRHKGKORVFP-UHFFFAOYSA-N -1 1 341.798 2.766 20 30 EFEDMM N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC001233386493 1312920068 /nfs/dbraw/zinc/92/00/68/1312920068.db2.gz WBNLLOLUOLFTDN-UHFFFAOYSA-N -1 1 336.395 2.614 20 30 EFEDMM CC(C)OC(=O)Nc1cc(C(=O)Nc2ccc(C#N)cc2[O-])n(C)c1 ZINC001190874176 1292355955 /nfs/dbraw/zinc/35/59/55/1292355955.db2.gz PQCQXOALTWHCAO-UHFFFAOYSA-N -1 1 342.355 2.812 20 30 EFEDMM N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)C(F)(F)C2)c([O-])c1 ZINC001233388150 1312921926 /nfs/dbraw/zinc/92/19/26/1312921926.db2.gz ODECCGNGXRDONV-QGZVFWFLSA-N -1 1 335.398 2.959 20 30 EFEDMM CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1ccc(C#N)cc1[O-] ZINC001233387906 1312922053 /nfs/dbraw/zinc/92/20/53/1312922053.db2.gz DBZSPOAPHGMLNQ-MRXNPFEDSA-N -1 1 346.427 2.587 20 30 EFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)cc1 ZINC001191401592 1292527494 /nfs/dbraw/zinc/52/74/94/1292527494.db2.gz BGDXJTNEENIDHY-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](CC#N)CC(=O)OCC ZINC001233499373 1312944044 /nfs/dbraw/zinc/94/40/44/1312944044.db2.gz YVRSNRKRJSRSLX-LLVKDONJSA-N -1 1 335.356 2.695 20 30 EFEDMM 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N#Cc1ccc([N-]S(=O)(=O)Cc2ccccn2)c(F)c1Cl ZINC001197828701 1294757448 /nfs/dbraw/zinc/75/74/48/1294757448.db2.gz BIBRUFFOAWNOHO-UHFFFAOYSA-N -1 1 325.752 2.688 20 30 EFEDMM C=C[C@@H](C)Oc1cc(C(=O)OC)cc([O-])c1I ZINC001234434436 1313126943 /nfs/dbraw/zinc/12/69/43/1313126943.db2.gz UMALGKBNTZHHMN-SSDOTTSWSA-N -1 1 348.136 2.737 20 30 EFEDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1F ZINC001198693250 1295180489 /nfs/dbraw/zinc/18/04/89/1295180489.db2.gz OSDKGSZCQYPWRG-UHFFFAOYSA-N -1 1 341.751 2.555 20 30 EFEDMM CC(C)(C)n1cc(C#N)cc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739741 1295213941 /nfs/dbraw/zinc/21/39/41/1295213941.db2.gz YFMMCWYXOOTFMC-UHFFFAOYSA-N -1 1 347.396 2.614 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc(OCC(F)(F)F)ccn2)c([O-])c1 ZINC001199026475 1295385633 /nfs/dbraw/zinc/38/56/33/1295385633.db2.gz TWOPYORSOWGMOI-UHFFFAOYSA-N -1 1 337.257 2.852 20 30 EFEDMM C=CCOc1ccccc1[C@H](C)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564992 1313159981 /nfs/dbraw/zinc/15/99/81/1313159981.db2.gz RUCGQOAPGRLTLD-NSHDSACASA-N -1 1 344.367 2.982 20 30 EFEDMM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)c(F)cc2C(=O)OC)O1 ZINC001234607770 1313167141 /nfs/dbraw/zinc/16/71/41/1313167141.db2.gz GZUXUXVDDCWSGC-YVEFUNNKSA-N -1 1 339.363 2.994 20 30 EFEDMM O=C1c2ccc([O-])cc2OC/C1=C\c1ccc(O)c(OC2COC2)c1 ZINC001234716878 1313186135 /nfs/dbraw/zinc/18/61/35/1313186135.db2.gz SIRDJGJLNUGBCQ-LFYBBSHMSA-N -1 1 340.331 2.534 20 30 EFEDMM C#CC[C@@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751160 1313188806 /nfs/dbraw/zinc/18/88/06/1313188806.db2.gz SKTLFBYYDNEPAS-SECBINFHSA-N -1 1 326.304 2.854 20 30 EFEDMM C#CC[C@H](C)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751163 1313189152 /nfs/dbraw/zinc/18/91/52/1313189152.db2.gz SKTLFBYYDNEPAS-VIFPVBQESA-N -1 1 326.304 2.854 20 30 EFEDMM COc1cc([O-])cc(OC2COC2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234774347 1313191822 /nfs/dbraw/zinc/19/18/22/1313191822.db2.gz GMOXAGGSNZBLCD-QPJJXVBHSA-N -1 1 342.347 2.780 20 30 EFEDMM 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LQBVRHCFVXUNJF-UHFFFAOYSA-N -1 1 331.397 2.850 20 30 EFEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1OC ZINC001201315745 1296722401 /nfs/dbraw/zinc/72/24/01/1296722401.db2.gz JVXHPXBZUMTOLH-UHFFFAOYSA-N -1 1 346.408 2.993 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)sc3c2)cc1C#N ZINC001201316781 1296723383 /nfs/dbraw/zinc/72/33/83/1296723383.db2.gz DDJNLDDSNAMBEY-UHFFFAOYSA-N -1 1 345.405 2.983 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)ccc1F ZINC001201316582 1296723555 /nfs/dbraw/zinc/72/35/55/1296723555.db2.gz AYNFLJPVCBHCIX-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncn(C)c3c2)cc1C#N ZINC001201316902 1296723703 /nfs/dbraw/zinc/72/37/03/1296723703.db2.gz HETZJTZIEHPWHM-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201316935 1296723893 /nfs/dbraw/zinc/72/38/93/1296723893.db2.gz IOBUBTOJGBRUJU-UHFFFAOYSA-N -1 1 343.408 2.650 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2cc[nH]c3=O)cc1C#N 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1316232174 /nfs/dbraw/zinc/23/21/74/1316232174.db2.gz FATLHFZYLVSXJQ-UHFFFAOYSA-N -1 1 336.319 2.572 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1C#N ZINC001259396665 1316237164 /nfs/dbraw/zinc/23/71/64/1316237164.db2.gz QRRPKZYCVHTXLU-UHFFFAOYSA-N -1 1 345.405 2.977 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1O ZINC001259396442 1316237256 /nfs/dbraw/zinc/23/72/56/1316237256.db2.gz BIQDSKYVPLBOJR-UHFFFAOYSA-N -1 1 331.378 2.674 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccnc2)ccc1F ZINC001259411999 1316239181 /nfs/dbraw/zinc/23/91/81/1316239181.db2.gz HQCCIBWBCLSSRC-UHFFFAOYSA-N -1 1 342.355 2.684 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCC3=O)ccc1F ZINC001259417231 1316239650 /nfs/dbraw/zinc/23/96/50/1316239650.db2.gz MBAONUQYSLWLEV-UHFFFAOYSA-N -1 1 330.340 2.627 20 30 EFEDMM CC(C)(O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259417069 1316239741 /nfs/dbraw/zinc/23/97/41/1316239741.db2.gz DYQGISWOOSMFPJ-UHFFFAOYSA-N -1 1 334.372 2.726 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C3OCCO3)cc2)ccc1F ZINC001259417180 1316239813 /nfs/dbraw/zinc/23/98/13/1316239813.db2.gz CEPYBOXNLYCTID-UHFFFAOYSA-N -1 1 348.355 2.544 20 30 EFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncc(C#N)cc1Cl ZINC001259487249 1316250049 /nfs/dbraw/zinc/25/00/49/1316250049.db2.gz YSYLJFFWBVUAEQ-UHFFFAOYSA-N -1 1 325.752 2.855 20 30 EFEDMM N#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC001259494603 1316251335 /nfs/dbraw/zinc/25/13/35/1316251335.db2.gz BBHQYXWDWQWWOH-ZDUSSCGKSA-N -1 1 326.299 2.647 20 30 EFEDMM O=S(=O)(CCC(F)(F)F)[N-]c1cc(F)c(F)c(F)c1F ZINC001259871667 1316290244 /nfs/dbraw/zinc/29/02/44/1316290244.db2.gz SGHVKULCXPFRIO-UHFFFAOYSA-N -1 1 325.205 2.937 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1cc2cc(Br)ccc2cn1 ZINC001259922545 1316297995 /nfs/dbraw/zinc/29/79/95/1316297995.db2.gz BEIKNOMXFBLICZ-UHFFFAOYSA-N -1 1 327.203 2.925 20 30 EFEDMM C=CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260331916 1316332265 /nfs/dbraw/zinc/33/22/65/1316332265.db2.gz YYMHAXKIPVHVGA-UHFFFAOYSA-N -1 1 326.162 2.582 20 30 EFEDMM O=C1C=C([N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC001260380167 1316336189 /nfs/dbraw/zinc/33/61/89/1316336189.db2.gz SVYSQRGUHPHCOF-UHFFFAOYSA-N -1 1 348.193 2.503 20 30 EFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1F ZINC001260453865 1316339990 /nfs/dbraw/zinc/33/99/90/1316339990.db2.gz ZSTXVYXUOFQCLD-UHFFFAOYSA-N -1 1 343.335 2.714 20 30 EFEDMM C#CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(Cl)s1 ZINC001260492438 1316341663 /nfs/dbraw/zinc/34/16/63/1316341663.db2.gz WGDPBHXRSFCEGM-UHFFFAOYSA-N -1 1 342.667 2.854 20 30 EFEDMM N#CCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)s1 ZINC001260493720 1316342132 /nfs/dbraw/zinc/34/21/32/1316342132.db2.gz XBTZFVHLWNXNPF-UHFFFAOYSA-N -1 1 343.655 2.746 20 30 EFEDMM C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001260673661 1316357368 /nfs/dbraw/zinc/35/73/68/1316357368.db2.gz VNWBAKWLTQHHTL-UHFFFAOYSA-N -1 1 344.392 2.851 20 30 EFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC001260809750 1316370365 /nfs/dbraw/zinc/37/03/65/1316370365.db2.gz AQTYKBCBWLXODN-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM N#Cc1cccc(OCc2cccc(C(=O)Nc3c[n-][nH]c3=O)c2)c1 ZINC001306848836 1324725544 /nfs/dbraw/zinc/72/55/44/1324725544.db2.gz XZBQPLUILIOTMQ-UHFFFAOYSA-N -1 1 334.335 2.818 20 30 EFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001320959888 1329325160 /nfs/dbraw/zinc/32/51/60/1329325160.db2.gz DMCMYNNLUALQAI-VIFPVBQESA-N -1 1 334.210 2.668 20 30 EFEDMM C=CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)OCC ZINC001323931055 1329585491 /nfs/dbraw/zinc/58/54/91/1329585491.db2.gz ORJSFGOUUXQNJP-LBPRGKRZSA-N -1 1 341.791 2.682 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001324650582 1329648375 /nfs/dbraw/zinc/64/83/75/1329648375.db2.gz XRSNRAAPDHEELZ-UHFFFAOYSA-N -1 1 344.314 2.846 20 30 EFEDMM O=c1nc(N=NCC2CCC(c3ccccc3)CC2)nc2[nH][n-]cc1-2 ZINC001327013578 1330399935 /nfs/dbraw/zinc/39/99/35/1330399935.db2.gz SYRJVMFVXPHYOO-UHFFFAOYSA-N -1 1 336.399 2.804 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001338709161 1331727816 /nfs/dbraw/zinc/72/78/16/1331727816.db2.gz LDOGWDYPPWHBGV-TXEJJXNPSA-N -1 1 340.431 2.596 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(Cc1ccco1)C(C)C ZINC001338869955 1331750046 /nfs/dbraw/zinc/75/00/46/1331750046.db2.gz AJIBBZRYBUHSSG-UHFFFAOYSA-N -1 1 328.376 2.568 20 30 EFEDMM C=C[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001338872741 1331750948 /nfs/dbraw/zinc/75/09/48/1331750948.db2.gz NSYZQFFOFHLOQF-SSDOTTSWSA-N -1 1 328.192 2.612 20 30 EFEDMM CN(C)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001341921570 1332288436 /nfs/dbraw/zinc/28/84/36/1332288436.db2.gz WBNJWXMKSDNERP-HNNXBMFYSA-N -1 1 331.379 2.768 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C)[C@H]1C ZINC001342040313 1332297349 /nfs/dbraw/zinc/29/73/49/1332297349.db2.gz PBHBJYJYNOUFRY-NWDGAFQWSA-N -1 1 340.431 2.739 20 30 EFEDMM CC(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)C[C@@H](C)C#N ZINC001344407942 1332450778 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N#CCCN(C(=O)c1cccc([O-])c1F)c1ccc2c(c1)OCCO2 ZINC001361744253 1336308620 /nfs/dbraw/zinc/30/86/20/1336308620.db2.gz KHTHIDHOWDLHBI-UHFFFAOYSA-N -1 1 342.326 2.863 20 30 EFEDMM Cc1nc(NC(=O)c2cnc(C3CC3)[n-]c2=O)sc1SCC#N ZINC001362212386 1336556166 /nfs/dbraw/zinc/55/61/66/1336556166.db2.gz HPOBSVGWUXEPOU-UHFFFAOYSA-N -1 1 347.425 2.693 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001363773204 1337035069 /nfs/dbraw/zinc/03/50/69/1337035069.db2.gz WCGUZZMCIWVEML-UHFFFAOYSA-N -1 1 342.617 2.927 20 30 EFEDMM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001417889373 1373377018 /nfs/dbraw/zinc/37/70/18/1373377018.db2.gz QRWLQSWXKHXWSG-GFCCVEGCSA-N -1 1 327.290 2.863 20 30 EFEDMM N#Cc1ccccc1N1CCC(NC(=O)c2cccc([O-])c2F)CC1 ZINC001454520505 1393048527 /nfs/dbraw/zinc/04/85/27/1393048527.db2.gz KTPHNENTTPAOAL-UHFFFAOYSA-N -1 1 339.370 2.802 20 30 EFEDMM N#CCCN(Cc1cccnc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001464501806 1396582288 /nfs/dbraw/zinc/58/22/88/1396582288.db2.gz BMCPSIPKXKGRHE-UHFFFAOYSA-N -1 1 329.787 2.926 20 30 EFEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(F)c([O-])c3)n2)c1 ZINC001465943022 1396724376 /nfs/dbraw/zinc/72/43/76/1396724376.db2.gz ZWDQPFWIFWFKAO-UHFFFAOYSA-N -1 1 336.326 2.723 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000826190925 1428373710 /nfs/dbraw/zinc/37/37/10/1428373710.db2.gz RALPLKNFDZMCCR-DJWKRKHSSA-N -1 1 341.758 2.820 20 30 EFEDMM C#CCCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819693372 1428600822 /nfs/dbraw/zinc/60/08/22/1428600822.db2.gz RBGGXKFTCHVBCN-UHFFFAOYSA-N -1 1 331.379 2.677 20 30 EFEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC000820005383 1428725918 /nfs/dbraw/zinc/72/59/18/1428725918.db2.gz PNYCMJDIHFKWGJ-UHFFFAOYSA-N -1 1 349.350 2.501 20 30 EFEDMM C#CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823838897 1428852264 /nfs/dbraw/zinc/85/22/64/1428852264.db2.gz WMZMYDCAKLXODT-CQSZACIVSA-N -1 1 334.339 2.951 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826380052 1428888452 /nfs/dbraw/zinc/88/84/52/1428888452.db2.gz LERLUNHXXZTHGS-JKSUJKDBSA-N -1 1 334.383 2.731 20 30 EFEDMM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1O ZINC000825615982 1428985300 /nfs/dbraw/zinc/98/53/00/1428985300.db2.gz RLVHIZLWHOJEJR-XQRVVYSFSA-N -1 1 342.380 2.929 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000819722772 1429054152 /nfs/dbraw/zinc/05/41/52/1429054152.db2.gz QNDKWECXHCJMQV-GFCCVEGCSA-N -1 1 331.445 2.772 20 30 EFEDMM N#Cc1ccc(Cl)c(C(=O)OCC(=O)c2ccc([O-])cc2O)c1 ZINC001645769119 1416554644 /nfs/dbraw/zinc/55/46/44/1416554644.db2.gz LUAWEBORVVMIRT-UHFFFAOYSA-N -1 1 331.711 2.663 20 30 EFEDMM Cc1c(C#N)cccc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822015116 1429146058 /nfs/dbraw/zinc/14/60/58/1429146058.db2.gz CSLRVZQIKUJFRP-UHFFFAOYSA-N -1 1 347.382 2.711 20 30 EFEDMM C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000824033998 1429159441 /nfs/dbraw/zinc/15/94/41/1429159441.db2.gz FDXWXYQDQSGIEB-SECBINFHSA-N -1 1 345.794 2.676 20 30 EFEDMM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc(C)c1O ZINC000826266498 1429219517 /nfs/dbraw/zinc/21/95/17/1429219517.db2.gz QJTYZIVTXWQVQK-UHFFFAOYSA-N -1 1 343.778 2.684 20 30 EFEDMM CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000825322887 1429323834 /nfs/dbraw/zinc/32/38/34/1429323834.db2.gz KWUCTTHABSXYQF-UHFFFAOYSA-N -1 1 333.399 2.546 20 30 EFEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000825322887 1429323841 /nfs/dbraw/zinc/32/38/41/1429323841.db2.gz KWUCTTHABSXYQF-UHFFFAOYSA-N -1 1 333.399 2.546 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H]1C ZINC000735418181 1429371575 /nfs/dbraw/zinc/37/15/75/1429371575.db2.gz CUVFFLPGADPYAM-CJNGLKHVSA-N -1 1 340.431 2.753 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716154 1429405708 /nfs/dbraw/zinc/40/57/08/1429405708.db2.gz LPBOWTRHMDRKBU-ZBFHGGJFSA-N -1 1 348.341 2.620 20 30 EFEDMM COc1ccc(CN=Nc2c(F)cccc2F)cc1-c1nnn[n-]1 ZINC000737080415 1429511077 /nfs/dbraw/zinc/51/10/77/1429511077.db2.gz AFXJUIYLJJSFDR-UHFFFAOYSA-N -1 1 330.298 2.600 20 30 EFEDMM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820518419 1423256455 /nfs/dbraw/zinc/25/64/55/1423256455.db2.gz DHHGSAYTEWFBIN-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821668948 1423346741 /nfs/dbraw/zinc/34/67/41/1423346741.db2.gz RJSYGMGKOXQSFG-BJMVGYQFSA-N -1 1 334.335 2.549 20 30 EFEDMM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826401087 1423431267 /nfs/dbraw/zinc/43/12/67/1423431267.db2.gz PETDZMVEWXDPCB-SNAWJCMRSA-N -1 1 326.337 2.553 20 30 EFEDMM CCCC(C#N)(CCC)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821008712 1423438543 /nfs/dbraw/zinc/43/85/43/1423438543.db2.gz KHISSGCGOQKPKH-UHFFFAOYSA-N -1 1 340.431 2.778 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821770495 1423750865 /nfs/dbraw/zinc/75/08/65/1423750865.db2.gz VLFPTIKCRQKXFA-QPJJXVBHSA-N -1 1 342.380 2.842 20 30 EFEDMM C#Cc1cccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000819709519 1423796560 /nfs/dbraw/zinc/79/65/60/1423796560.db2.gz HUPSFCMTCJMYIU-UHFFFAOYSA-N -1 1 334.408 2.965 20 30 EFEDMM Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C)c1 ZINC000737336921 1423919345 /nfs/dbraw/zinc/91/93/45/1423919345.db2.gz AEAPQGOTQISYTC-UHFFFAOYSA-N -1 1 346.394 2.927 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC000826400655 1424037163 /nfs/dbraw/zinc/03/71/63/1424037163.db2.gz DNJYJCZKFRZUEL-GORDUTHDSA-N -1 1 338.298 2.631 20 30 EFEDMM N#Cc1ccc(NCCOc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822829994 1429702729 /nfs/dbraw/zinc/70/27/29/1429702729.db2.gz SHHIRFNRBXIUJJ-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000736618554 1424161131 /nfs/dbraw/zinc/16/11/31/1424161131.db2.gz VELMZHCQPDUZKN-LLVKDONJSA-N -1 1 347.423 2.656 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1COc1cc(Cl)ccc1C#N ZINC000826173149 1429717406 /nfs/dbraw/zinc/71/74/06/1429717406.db2.gz OYCDYWUIDYEHKP-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM N#Cc1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1 ZINC000826385698 1424395271 /nfs/dbraw/zinc/39/52/71/1424395271.db2.gz XEQLPMLWLFAVAW-UHFFFAOYSA-N -1 1 342.366 2.741 20 30 EFEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)C1CCOCC1 ZINC000820832713 1424525282 /nfs/dbraw/zinc/52/52/82/1424525282.db2.gz NDIIFYQZRMPXDM-UHFFFAOYSA-N -1 1 333.396 2.583 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480516 1424748525 /nfs/dbraw/zinc/74/85/25/1424748525.db2.gz FLOWNSWUOGMYCJ-TWGQIWQCSA-N -1 1 345.362 2.648 20 30 EFEDMM C#CCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735374404 1425003159 /nfs/dbraw/zinc/00/31/59/1425003159.db2.gz CGCQKFRXGFTZMM-UHFFFAOYSA-N -1 1 348.366 2.804 20 30 EFEDMM C=CCN(CC=C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000819742870 1429769833 /nfs/dbraw/zinc/76/98/33/1429769833.db2.gz BCJAXIPQINMRRB-UHFFFAOYSA-N -1 1 335.415 2.535 20 30 EFEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#Cc1ccccc1 ZINC000820116802 1425082664 /nfs/dbraw/zinc/08/26/64/1425082664.db2.gz OBKBJAVZOJPANT-UHFFFAOYSA-N -1 1 345.406 2.655 20 30 EFEDMM C=CCOc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823931856 1425087554 /nfs/dbraw/zinc/08/75/54/1425087554.db2.gz HXDDMRBSCQVJDG-KRWDZBQOSA-N -1 1 338.367 2.544 20 30 EFEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824929479 1425167293 /nfs/dbraw/zinc/16/72/93/1425167293.db2.gz XWOWDIQUFBOGQU-QFYYESIMSA-N -1 1 344.806 2.722 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826379782 1425210815 /nfs/dbraw/zinc/21/08/15/1425210815.db2.gz BIDYADYKSRCTMI-WMZOPIPTSA-N -1 1 345.410 2.533 20 30 EFEDMM COc1ccc(C=CC(=O)c2cc(C)ccc2O)cc1-c1nnn[n-]1 ZINC000821786622 1425224969 /nfs/dbraw/zinc/22/49/69/1425224969.db2.gz GQWJXZCXUCDYOQ-QPJJXVBHSA-N -1 1 336.351 2.785 20 30 EFEDMM Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737337535 1425427947 /nfs/dbraw/zinc/42/79/47/1425427947.db2.gz FYCMTIIIWSEDGH-UHFFFAOYSA-N -1 1 332.367 2.618 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)n21 ZINC000826305480 1425511657 /nfs/dbraw/zinc/51/16/57/1425511657.db2.gz XYUQSOQRHGAGII-WAYWQWQTSA-N -1 1 336.380 2.780 20 30 EFEDMM C#Cc1cccc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000819709618 1425552792 /nfs/dbraw/zinc/55/27/92/1425552792.db2.gz MGPJTUPDKYNDFR-UHFFFAOYSA-N -1 1 343.350 2.510 20 30 EFEDMM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403411 1425570364 /nfs/dbraw/zinc/57/03/64/1425570364.db2.gz RJKFMHDFHYRTEA-DAFODLJHSA-N -1 1 345.315 2.872 20 30 EFEDMM CCc1noc(C)c1C(C)=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825771031 1425647452 /nfs/dbraw/zinc/64/74/52/1425647452.db2.gz HKTBLGGIAARPJJ-UHFFFAOYSA-N -1 1 346.782 2.610 20 30 EFEDMM FC(F)(F)c1cc(NN=Cc2cncs2)ccc1-c1nnn[n-]1 ZINC000822723435 1425733467 /nfs/dbraw/zinc/73/34/67/1425733467.db2.gz DTDUPBSCNSGEQK-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM COc1ccc(CN=Cc2cc(Cl)ccc2O)cc1-c1nnn[n-]1 ZINC000826196170 1425770082 /nfs/dbraw/zinc/77/00/82/1425770082.db2.gz SEZSKPJPZRIJFR-NVMNQCDNSA-N -1 1 343.774 2.853 20 30 EFEDMM CCCCCCCC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825271606 1425831606 /nfs/dbraw/zinc/83/16/06/1425831606.db2.gz LJZAXJPVJILYKU-UHFFFAOYSA-N -1 1 331.420 2.852 20 30 EFEDMM N#Cc1cccc(C2(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386715 1425980542 /nfs/dbraw/zinc/98/05/42/1425980542.db2.gz PRAMGOXOBWETPO-UHFFFAOYSA-N -1 1 345.366 2.549 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000826401790 1426057688 /nfs/dbraw/zinc/05/76/88/1426057688.db2.gz HBNOVZFYOYADNG-ALCCZGGFSA-N -1 1 334.335 2.534 20 30 EFEDMM N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737713429 1426287944 /nfs/dbraw/zinc/28/79/44/1426287944.db2.gz XMWYAMMFGXHCSE-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826167098 1426707898 /nfs/dbraw/zinc/70/78/98/1426707898.db2.gz PNUFYDKBFLMURQ-AATRIKPKSA-N -1 1 328.353 2.539 20 30 EFEDMM CCCCCCCCCN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821051164 1426858405 /nfs/dbraw/zinc/85/84/05/1426858405.db2.gz YXDRVJLOMDOSGK-UHFFFAOYSA-N -1 1 348.455 2.815 20 30 EFEDMM COc1ccc(CN=Cc2cc(Cl)ccc2O)cc1-c1nnn[n-]1 ZINC000826196169 1426865293 /nfs/dbraw/zinc/86/52/93/1426865293.db2.gz SEZSKPJPZRIJFR-GIJQJNRQSA-N -1 1 343.774 2.853 20 30 EFEDMM C#CCSCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735387922 1427051579 /nfs/dbraw/zinc/05/15/79/1427051579.db2.gz LDYAQGHYJKWADW-UHFFFAOYSA-N -1 1 327.335 2.664 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000826249689 1427076465 /nfs/dbraw/zinc/07/64/65/1427076465.db2.gz ORQUKIVXPQXIGG-UHFFFAOYSA-N -1 1 349.398 2.856 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000826190677 1427098939 /nfs/dbraw/zinc/09/89/39/1427098939.db2.gz JGMSVNFIXOAUJB-HWKANZROSA-N -1 1 342.380 2.842 20 30 EFEDMM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820322408 1427128589 /nfs/dbraw/zinc/12/85/89/1427128589.db2.gz SDFXSCRJBWAONL-WTNCMQEWSA-N -1 1 344.378 2.629 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737718650 1427219813 /nfs/dbraw/zinc/21/98/13/1427219813.db2.gz LKHPHJSZVMPBOG-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCC#Cc1ccccc1 ZINC000822936207 1427253155 /nfs/dbraw/zinc/25/31/55/1427253155.db2.gz SRRBVMJSOODOFU-YPKPFQOOSA-N -1 1 344.374 2.865 20 30 EFEDMM COCC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000736965250 1427381819 /nfs/dbraw/zinc/38/18/19/1427381819.db2.gz AVMBJIZTKAMLTO-UHFFFAOYSA-N -1 1 342.325 2.956 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000736616753 1427537096 /nfs/dbraw/zinc/53/70/96/1427537096.db2.gz POILFNKEIGHHJC-SNVBAGLBSA-N -1 1 347.423 2.755 20 30 EFEDMM C=CC(C)(C)CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000907414408 1427711481 /nfs/dbraw/zinc/71/14/81/1427711481.db2.gz WFXLHLREZRZECC-CYBMUJFWSA-N -1 1 337.786 2.800 20 30 EFEDMM N#Cc1cccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737729977 1427720645 /nfs/dbraw/zinc/72/06/45/1427720645.db2.gz BIYDBKHNJVHGEE-UHFFFAOYSA-N -1 1 346.394 2.786 20 30 EFEDMM COc1ccccc1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000821890634 1427858466 /nfs/dbraw/zinc/85/84/66/1427858466.db2.gz NKUJUSKITURTRV-UHFFFAOYSA-N -1 1 348.366 2.679 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)OCC ZINC000823873468 1428024177 /nfs/dbraw/zinc/02/41/77/1428024177.db2.gz MLGXDNRLRRDJTQ-NSHDSACASA-N -1 1 347.444 2.727 20 30 EFEDMM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826211005 1428081457 /nfs/dbraw/zinc/08/14/57/1428081457.db2.gz MEMVGPJYEOHBER-HYXAFXHYSA-N -1 1 342.380 2.842 20 30 EFEDMM O=[N+]([O-])c1ccc(NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000823640127 1428090661 /nfs/dbraw/zinc/09/06/61/1428090661.db2.gz UPKXYGQBJBCQNN-UHFFFAOYSA-N -1 1 349.354 2.927 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000822829871 1428112972 /nfs/dbraw/zinc/11/29/72/1428112972.db2.gz MZSFOCBIYDAVDF-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM c1ccc2c(c1)SCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823802499 1428164082 /nfs/dbraw/zinc/16/40/82/1428164082.db2.gz QPEKVRDMKYEYRV-UHFFFAOYSA-N -1 1 336.424 2.856 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000735399822 1429798540 /nfs/dbraw/zinc/79/85/40/1429798540.db2.gz WLPBEVKILZNKEX-LBPRGKRZSA-N -1 1 331.445 2.772 20 30 EFEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000822923409 1429836216 /nfs/dbraw/zinc/83/62/16/1429836216.db2.gz RCTHTMYHBGCFFY-PLNGDYQASA-N -1 1 327.325 2.733 20 30 EFEDMM N#Cc1ccc(Cl)cc1OCCOc1ccccc1-c1nnn[n-]1 ZINC000822826471 1429867481 /nfs/dbraw/zinc/86/74/81/1429867481.db2.gz ZYLRYJJAICGHDX-UHFFFAOYSA-N -1 1 341.758 2.850 20 30 EFEDMM COc1cccc2c1CC(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)C2=O ZINC000821786163 1429891986 /nfs/dbraw/zinc/89/19/86/1429891986.db2.gz ATMRLIGNNZPUEL-XYOKQWHBSA-N -1 1 348.362 2.706 20 30 EFEDMM CCc1nc2ccccc2n1N=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736707696 1429914630 /nfs/dbraw/zinc/91/46/30/1429914630.db2.gz YQEALQBPLSLXTJ-UHFFFAOYSA-N -1 1 347.382 2.670 20 30 EFEDMM N#Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000822833868 1429919879 /nfs/dbraw/zinc/91/98/79/1429919879.db2.gz YJYVKSORTJYSNV-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)n21 ZINC000826305175 1430054643 /nfs/dbraw/zinc/05/46/43/1430054643.db2.gz NGHIBAWDFHSAJI-VURMDHGXSA-N -1 1 348.341 2.858 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)OCC ZINC000823874263 1430131523 /nfs/dbraw/zinc/13/15/23/1430131523.db2.gz UTJDPBHDTUAVEE-ZDUSSCGKSA-N -1 1 346.435 2.733 20 30 EFEDMM C=CC[C@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819729743 1430182738 /nfs/dbraw/zinc/18/27/38/1430182738.db2.gz LVTNNFWHJKBXIL-NSHDSACASA-N -1 1 330.392 2.740 20 30 EFEDMM CCCCS[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736463399 1430205060 /nfs/dbraw/zinc/20/50/60/1430205060.db2.gz PAMHGLSOMANVDZ-SNVBAGLBSA-N -1 1 330.417 2.599 20 30 EFEDMM COc1ccc(C=NNc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737083780 1441466433 /nfs/dbraw/zinc/46/64/33/1441466433.db2.gz VKNSJNBAQZKAQM-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM N#CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826380579 1441466929 /nfs/dbraw/zinc/46/69/29/1441466929.db2.gz GAPMJOQBDKBZBT-UHFFFAOYSA-N -1 1 345.794 2.678 20 30 EFEDMM Cc1c(Cl)cnc(NCc2ccc(C#N)cc2F)c1-c1nnn[n-]1 ZINC000826240084 1441493622 /nfs/dbraw/zinc/49/36/22/1441493622.db2.gz AYWHWGNBSXPCFL-UHFFFAOYSA-N -1 1 343.753 2.846 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000825807670 1441503605 /nfs/dbraw/zinc/50/36/05/1441503605.db2.gz UMZREGHKMTWOJN-VURMDHGXSA-N -1 1 340.362 2.735 20 30 EFEDMM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820056806 1441536046 /nfs/dbraw/zinc/53/60/46/1441536046.db2.gz SNSUIOCHLURMOJ-LBPRGKRZSA-N -1 1 342.403 2.518 20 30 EFEDMM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820380101 1441560012 /nfs/dbraw/zinc/56/00/12/1441560012.db2.gz LFOCKDXKZJHOHF-NSHDSACASA-N -1 1 333.355 2.621 20 30 EFEDMM Cc1c(Cl)cnc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826237063 1441604938 /nfs/dbraw/zinc/60/49/38/1441604938.db2.gz MONVBUNGTLYCPA-UHFFFAOYSA-N -1 1 339.790 2.732 20 30 EFEDMM N#Cc1cccc(OCCCOc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000822837895 1441614391 /nfs/dbraw/zinc/61/43/91/1441614391.db2.gz XPBUEQMTCLNCPD-UHFFFAOYSA-N -1 1 339.330 2.725 20 30 EFEDMM CCOc1ccc(C=Nc2ccc(F)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000736643217 1441649249 /nfs/dbraw/zinc/64/92/49/1441649249.db2.gz DXSNKLSKVJBXNU-UHFFFAOYSA-N -1 1 327.319 2.861 20 30 EFEDMM N#Cc1ccc2c(c1)N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826386190 1441689010 /nfs/dbraw/zinc/68/90/10/1441689010.db2.gz SVARVVRVSASZMQ-UHFFFAOYSA-N -1 1 329.776 2.542 20 30 EFEDMM C[C@@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820322450 1441703022 /nfs/dbraw/zinc/70/30/22/1441703022.db2.gz STIKCSNMJJTCEI-WTNCMQEWSA-N -1 1 344.378 2.629 20 30 EFEDMM COc1ccc(CON=Cc2ccccc2F)cc1-c1nnn[n-]1 ZINC000826206690 1441807898 /nfs/dbraw/zinc/80/78/98/1441807898.db2.gz HFUGUCLXNBAXIY-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM N#CCCCOc1cccc(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737687413 1441901053 /nfs/dbraw/zinc/90/10/53/1441901053.db2.gz ILXMOBVSTZYKGE-UHFFFAOYSA-N -1 1 347.382 2.995 20 30 EFEDMM N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000822829696 1441905407 /nfs/dbraw/zinc/90/54/07/1441905407.db2.gz DYDKAMYRJXPRCG-UHFFFAOYSA-N -1 1 344.378 2.700 20 30 EFEDMM Cc1ccccc1CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737425896 1441920451 /nfs/dbraw/zinc/92/04/51/1441920451.db2.gz GIZDNZFOYQSDKJ-UHFFFAOYSA-N -1 1 332.367 2.618 20 30 EFEDMM Cc1c(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822091112 1442070836 /nfs/dbraw/zinc/07/08/36/1442070836.db2.gz OFWPBUJQGUBYLA-LBPRGKRZSA-N -1 1 347.382 2.930 20 30 EFEDMM N#C[C@@H](C(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2o1 ZINC000822801243 1442236715 /nfs/dbraw/zinc/23/67/15/1442236715.db2.gz GPIXZDOWEOEBGB-QMMMGPOBSA-N -1 1 336.336 2.559 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000826384352 1442327909 /nfs/dbraw/zinc/32/79/09/1442327909.db2.gz RROKHYBNFPKWHC-GORDUTHDSA-N -1 1 325.328 2.835 20 30 EFEDMM C[C@@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824662183 1442335084 /nfs/dbraw/zinc/33/50/84/1442335084.db2.gz FGEBOLMBPHWNCC-LLVKDONJSA-N -1 1 330.355 2.559 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)n2c1 ZINC000822280379 1442338605 /nfs/dbraw/zinc/33/86/05/1442338605.db2.gz LRIPRZYHOKGCAB-SREVYHEPSA-N -1 1 330.351 2.719 20 30 EFEDMM Cc1cc(C)cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000826264570 1442355284 /nfs/dbraw/zinc/35/52/84/1442355284.db2.gz SQDWFNHNJAUCAY-UHFFFAOYSA-N -1 1 346.394 2.927 20 30 EFEDMM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CC2)ccc1-c1nnn[n-]1 ZINC000737704918 1442376543 /nfs/dbraw/zinc/37/65/43/1442376543.db2.gz LLWGUXLCJIPXFK-UHFFFAOYSA-N -1 1 348.341 2.548 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(C#N)s2)o1 ZINC000819965876 1442387639 /nfs/dbraw/zinc/38/76/39/1442387639.db2.gz QMRKENYHMICRGX-UHFFFAOYSA-N -1 1 342.388 2.531 20 30 EFEDMM COc1cccc(C=Nc2ccc(-c3nnn[n-]3)cc2Cl)c1O ZINC000821863485 1442420303 /nfs/dbraw/zinc/42/03/03/1442420303.db2.gz LQHZQSLOGSVLKE-UHFFFAOYSA-N -1 1 329.747 2.985 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826365073 1443089464 /nfs/dbraw/zinc/08/94/64/1443089464.db2.gz AGTUFCJCXGJPRA-VURMDHGXSA-N -1 1 330.351 2.650 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cncc2ccccc12 ZINC000819718295 1443143212 /nfs/dbraw/zinc/14/32/12/1443143212.db2.gz DXAYOSDXYCCYHC-UHFFFAOYSA-N -1 1 329.367 2.539 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(Cc2ccc(C)cc2)C2CC2)o1 ZINC000737331152 1443205304 /nfs/dbraw/zinc/20/53/04/1443205304.db2.gz UZDOFCJPJZSTKW-UHFFFAOYSA-N -1 1 337.387 2.892 20 30 EFEDMM N#Cc1ccc(NC(=O)C=Cc2ccccc2F)cc1-c1nnn[n-]1 ZINC000737717143 1443310122 /nfs/dbraw/zinc/31/01/22/1443310122.db2.gz ZUNGWFDNGBVDCC-VURMDHGXSA-N -1 1 334.314 2.529 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735506208 1443382738 /nfs/dbraw/zinc/38/27/38/1443382738.db2.gz ZTFAOUAJFHWLJB-NSHDSACASA-N -1 1 334.339 2.757 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401485 1443431575 /nfs/dbraw/zinc/43/15/75/1443431575.db2.gz ZYCNIKZYBLNJGI-FPYGCLRLSA-N -1 1 339.286 2.810 20 30 EFEDMM O=[N+]([O-])c1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000823639536 1443456792 /nfs/dbraw/zinc/45/67/92/1443456792.db2.gz COOLEOUPDHULEC-UHFFFAOYSA-N -1 1 349.763 2.936 20 30 EFEDMM O=[N+]([O-])c1ccc(N=NCc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000823639536 1443456794 /nfs/dbraw/zinc/45/67/94/1443456794.db2.gz COOLEOUPDHULEC-UHFFFAOYSA-N -1 1 349.763 2.936 20 30 EFEDMM O=[N+]([O-])c1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000823639536 1443456795 /nfs/dbraw/zinc/45/67/95/1443456795.db2.gz COOLEOUPDHULEC-UHFFFAOYSA-N -1 1 349.763 2.936 20 30 EFEDMM CCC[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825224833 1443513104 /nfs/dbraw/zinc/51/31/04/1443513104.db2.gz CVYFKIAURDJZFT-CYBMUJFWSA-N -1 1 346.394 2.956 20 30 EFEDMM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000826286850 1443574731 /nfs/dbraw/zinc/57/47/31/1443574731.db2.gz SSGJDJYHEFUDSM-CYBMUJFWSA-N -1 1 346.394 2.864 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000826246123 1443657908 /nfs/dbraw/zinc/65/79/08/1443657908.db2.gz SHQHKSPDJBNUJK-SFHVURJKSA-N -1 1 338.415 2.768 20 30 EFEDMM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)COc2c(F)ccc(F)c21 ZINC000826475725 1443709525 /nfs/dbraw/zinc/70/95/25/1443709525.db2.gz OJUAZKVYDMZNRO-XFFZJAGNSA-N -1 1 340.289 2.804 20 30 EFEDMM N#Cc1ccc(Cl)cc1NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822825727 1443736231 /nfs/dbraw/zinc/73/62/31/1443736231.db2.gz MXADUZHOMYHSMM-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824135920 1443752511 /nfs/dbraw/zinc/75/25/11/1443752511.db2.gz KJQCERZMEOEKSH-ALCCZGGFSA-N -1 1 340.362 2.923 20 30 EFEDMM COc1ccc(NN=Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826210516 1443776469 /nfs/dbraw/zinc/77/64/69/1443776469.db2.gz UWXJSUDCBZRWGT-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(C)(C)C)n1 ZINC000826359843 1443830479 /nfs/dbraw/zinc/83/04/79/1443830479.db2.gz RMBBIHGMZYRUTO-KTKRTIGZSA-N -1 1 336.399 2.794 20 30 EFEDMM CC(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820170127 1443849244 /nfs/dbraw/zinc/84/92/44/1443849244.db2.gz RJLWFPGMZFNPAZ-UHFFFAOYSA-N -1 1 348.366 2.778 20 30 EFEDMM N#Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000826385513 1443869009 /nfs/dbraw/zinc/86/90/09/1443869009.db2.gz PROIDDFBIRONNP-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1ccc(Cl)cc1 ZINC000822741424 1443929698 /nfs/dbraw/zinc/92/96/98/1443929698.db2.gz WXXJOLKGUUICHN-UHFFFAOYSA-N -1 1 330.754 2.783 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2c(C)cc(Cl)cc2C)o1 ZINC000826322935 1443946399 /nfs/dbraw/zinc/94/63/99/1443946399.db2.gz HYIHCXOEUAATRR-UHFFFAOYSA-N -1 1 331.767 2.879 20 30 EFEDMM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc2cc(C#N)ccc2n1 ZINC000825977086 1443962732 /nfs/dbraw/zinc/96/27/32/1443962732.db2.gz WDLSQHGFJQBPBM-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM FC(F)COc1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737640075 1443981551 /nfs/dbraw/zinc/98/15/51/1443981551.db2.gz ZIBAQVBWCSFQDN-UHFFFAOYSA-N -1 1 344.325 2.957 20 30 EFEDMM CCc1nnc(Sc2cccc(C#N)c2)c(-c2nnn[n-]2)c1CC ZINC000821548604 1443982436 /nfs/dbraw/zinc/98/24/36/1443982436.db2.gz PSLYOQLSLFMDAX-UHFFFAOYSA-N -1 1 337.412 2.804 20 30 EFEDMM COc1cc(C#N)ccc1Oc1snc(Cl)c1-c1nnn[n-]1 ZINC000826176820 1443982537 /nfs/dbraw/zinc/98/25/37/1443982537.db2.gz FUSFRZCIEGZZEL-UHFFFAOYSA-N -1 1 334.748 2.649 20 30 EFEDMM CC(C)(C)CN(CCC#N)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735603331 1443988337 /nfs/dbraw/zinc/98/83/37/1443988337.db2.gz ZIZJYYMUIWMFKX-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CC(C)(C)CN(CCC#N)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735603331 1443988340 /nfs/dbraw/zinc/98/83/40/1443988340.db2.gz ZIZJYYMUIWMFKX-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM C=C(Cl)CNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735402210 1443992074 /nfs/dbraw/zinc/99/20/74/1443992074.db2.gz MFZISNANRJOFOB-UHFFFAOYSA-N -1 1 334.811 2.541 20 30 EFEDMM C#Cc1cccc(N(CC)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735391587 1444036771 /nfs/dbraw/zinc/03/67/71/1444036771.db2.gz UBGNNOIIODXKDG-SEYXRHQNSA-N -1 1 343.390 2.914 20 30 EFEDMM C#CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823837983 1446113031 /nfs/dbraw/zinc/11/30/31/1446113031.db2.gz JZPMEFWSVULHOW-JKGDOXCYSA-N -1 1 343.390 2.761 20 30 EFEDMM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736059500 1446135686 /nfs/dbraw/zinc/13/56/86/1446135686.db2.gz TZYWBCGTIWMBKR-GFCCVEGCSA-N -1 1 332.367 2.556 20 30 EFEDMM FC(F)(F)c1cc(NN=Cc2ccncc2)ccc1-c1nnn[n-]1 ZINC000737631070 1446184201 /nfs/dbraw/zinc/18/42/01/1446184201.db2.gz DCDPOJOGGJEPIV-UHFFFAOYSA-N -1 1 333.277 2.727 20 30 EFEDMM C#CC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000735374553 1446318310 /nfs/dbraw/zinc/31/83/10/1446318310.db2.gz DZLKXOZQLDSILR-CPFIRTDXSA-N -1 1 345.362 2.583 20 30 EFEDMM FC(F)Oc1ccc(NN=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737640092 1446338568 /nfs/dbraw/zinc/33/85/68/1446338568.db2.gz ZYNNZEXBRWCPKB-UHFFFAOYSA-N -1 1 330.298 2.914 20 30 EFEDMM C=CCCOCCCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000823899071 1446343821 /nfs/dbraw/zinc/34/38/21/1446343821.db2.gz KEMHOUNGVBASBU-UHFFFAOYSA-N -1 1 341.415 2.519 20 30 EFEDMM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962815 1446404233 /nfs/dbraw/zinc/40/42/33/1446404233.db2.gz PGTDCUAAFMVEFH-UHFFFAOYSA-N -1 1 348.345 2.785 20 30 EFEDMM C#CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000823838740 1446421334 /nfs/dbraw/zinc/42/13/34/1446421334.db2.gz SXJXMUWOOYRPDH-UHFFFAOYSA-N -1 1 339.742 2.884 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826257319 1446432461 /nfs/dbraw/zinc/43/24/61/1446432461.db2.gz XHDAXWCOUOWJPL-UHFFFAOYSA-N -1 1 337.314 2.543 20 30 EFEDMM Cc1ccsc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737441616 1446531196 /nfs/dbraw/zinc/53/11/96/1446531196.db2.gz IAJJDSQHUXHYEC-ARJAWSKDSA-N -1 1 336.380 2.780 20 30 EFEDMM Cc1ccc(F)c(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000737344627 1446811600 /nfs/dbraw/zinc/81/16/00/1446811600.db2.gz HRCNIDONCRHJMU-UHFFFAOYSA-N -1 1 329.339 2.872 20 30 EFEDMM CCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000825367157 1446976881 /nfs/dbraw/zinc/97/68/81/1446976881.db2.gz KAQRIJGOYMRFJH-FMIVXFBMSA-N -1 1 344.378 2.805 20 30 EFEDMM COc1ccc(C=C2Cc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000821786994 1446977888 /nfs/dbraw/zinc/97/78/88/1446977888.db2.gz NBKXSIURVFCOBP-SDQBBNPISA-N -1 1 336.326 2.837 20 30 EFEDMM CCN(Cc1ccnc(C#N)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439734 1447063898 /nfs/dbraw/zinc/06/38/98/1447063898.db2.gz MECWRKZTDXGBNP-CYBMUJFWSA-N -1 1 333.399 2.716 20 30 EFEDMM C=CCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823887912 1447221879 /nfs/dbraw/zinc/22/18/79/1447221879.db2.gz ASSKRIPMCALUIS-UHFFFAOYSA-N -1 1 343.778 2.611 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCc3cc(F)ccc32)o1 ZINC000735939222 1447243049 /nfs/dbraw/zinc/24/30/49/1447243049.db2.gz LQXJTZQNVALRRU-UHFFFAOYSA-N -1 1 341.350 2.880 20 30 EFEDMM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnccn1 ZINC000735450814 1447262043 /nfs/dbraw/zinc/26/20/43/1447262043.db2.gz DUXNYHKFCNSGOH-UHFFFAOYSA-N -1 1 348.292 2.512 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnccn1 ZINC000735450814 1447262049 /nfs/dbraw/zinc/26/20/49/1447262049.db2.gz DUXNYHKFCNSGOH-UHFFFAOYSA-N -1 1 348.292 2.512 20 30 EFEDMM N#CCC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381621 1447319192 /nfs/dbraw/zinc/31/91/92/1447319192.db2.gz SGXCFUHBKWJOIP-KRWDZBQOSA-N -1 1 346.394 2.570 20 30 EFEDMM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953614 1449053448 /nfs/dbraw/zinc/05/34/48/1449053448.db2.gz IXUMCDLTFVOSLE-UHFFFAOYSA-N -1 1 346.316 2.798 20 30 EFEDMM O=C1C(=Cc2cccc3nccn32)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826475421 1449070113 /nfs/dbraw/zinc/07/01/13/1449070113.db2.gz FVNTXJIOGAWUAZ-QBFSEMIESA-N -1 1 342.362 2.727 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745998 1449093975 /nfs/dbraw/zinc/09/39/75/1449093975.db2.gz XSHNJGYXDXGRAI-UHFFFAOYSA-N -1 1 339.424 2.686 20 30 EFEDMM CCCNc1ccc(C#N)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736489376 1449224351 /nfs/dbraw/zinc/22/43/51/1449224351.db2.gz YZRUGZAEFLROMD-UHFFFAOYSA-N -1 1 347.382 2.813 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc2cnccc12 ZINC000823861747 1449225635 /nfs/dbraw/zinc/22/56/35/1449225635.db2.gz QPESIHLVYZHUJW-UHFFFAOYSA-N -1 1 329.367 2.539 20 30 EFEDMM C=C[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819730436 1449345952 /nfs/dbraw/zinc/34/59/52/1449345952.db2.gz ZXZVBGDISXRUIX-ZETCQYMHSA-N -1 1 326.282 2.582 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)n21 ZINC000826305304 1449605614 /nfs/dbraw/zinc/60/56/14/1449605614.db2.gz RFWAMRBBCAKWFZ-VURMDHGXSA-N -1 1 348.341 2.858 20 30 EFEDMM CCOc1ccc(C#N)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821417066 1449760131 /nfs/dbraw/zinc/76/01/31/1449760131.db2.gz IDFYXLCCYRDEOZ-UHFFFAOYSA-N -1 1 338.346 2.888 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000823909358 1449763229 /nfs/dbraw/zinc/76/32/29/1449763229.db2.gz AHMMQGPYJZDWMZ-XJKSGUPXSA-N -1 1 325.416 2.818 20 30 EFEDMM FC(F)(F)c1csc(N=NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000822728318 1449775392 /nfs/dbraw/zinc/77/53/92/1449775392.db2.gz GQVRIJJDMVDQNQ-UHFFFAOYSA-N -1 1 345.335 2.850 20 30 EFEDMM C=CCNC(=S)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000823926046 1449909359 /nfs/dbraw/zinc/90/93/59/1449909359.db2.gz XCCYPRILPZPXKJ-UHFFFAOYSA-N -1 1 342.472 2.672 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc(CC#N)c1 ZINC000826254355 1449939398 /nfs/dbraw/zinc/93/93/98/1449939398.db2.gz HOKMDRMRUKIXHM-UHFFFAOYSA-N -1 1 333.351 2.598 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000826183819 1449953305 /nfs/dbraw/zinc/95/33/05/1449953305.db2.gz BBZCBGVRBZFBQL-UHFFFAOYSA-N -1 1 346.394 2.526 20 30 EFEDMM CCc1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000825704283 1449965504 /nfs/dbraw/zinc/96/55/04/1449965504.db2.gz FYGXUEOPZAMHFM-UHFFFAOYSA-N -1 1 333.808 2.985 20 30 EFEDMM CCc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000825704283 1449965506 /nfs/dbraw/zinc/96/55/06/1449965506.db2.gz FYGXUEOPZAMHFM-UHFFFAOYSA-N -1 1 333.808 2.985 20 30 EFEDMM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000819751072 1449998503 /nfs/dbraw/zinc/99/85/03/1449998503.db2.gz OKLGWFLMAVHHOM-HNNXBMFYSA-N -1 1 338.396 2.681 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccnc2ccccc12 ZINC000819719001 1450005080 /nfs/dbraw/zinc/00/50/80/1450005080.db2.gz WOXGSGROUTZHDB-UHFFFAOYSA-N -1 1 329.367 2.539 20 30 EFEDMM CC[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313757 1450019048 /nfs/dbraw/zinc/01/90/48/1450019048.db2.gz PLIIQEGHVNARQZ-HNNXBMFYSA-N -1 1 332.367 2.871 20 30 EFEDMM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000826400153 1450329064 /nfs/dbraw/zinc/32/90/64/1450329064.db2.gz QNTUGGWDADDCJE-VMPITWQZSA-N -1 1 328.328 2.726 20 30 EFEDMM COc1ccc2[nH]cc(C=NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000737117218 1450358939 /nfs/dbraw/zinc/35/89/39/1450358939.db2.gz YDNVCDCMJOTYNO-UHFFFAOYSA-N -1 1 333.355 2.803 20 30 EFEDMM CC(C)Oc1ccc(C#N)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824324114 1450465234 /nfs/dbraw/zinc/46/52/34/1450465234.db2.gz HBJHVOWMNPRIBS-UHFFFAOYSA-N -1 1 335.371 2.533 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000822823824 1450487815 /nfs/dbraw/zinc/48/78/15/1450487815.db2.gz ZXAGEEBVOTXFRJ-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC000971107496 714362463 /nfs/dbraw/zinc/36/24/63/714362463.db2.gz FICUQQQBCGFPET-CYBMUJFWSA-N -1 1 341.436 2.672 20 30 EFEDMM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615439 714857686 /nfs/dbraw/zinc/85/76/86/714857686.db2.gz RRPKZPOIYGDAKW-LBPRGKRZSA-N -1 1 336.395 2.750 20 30 EFEDMM CC[C@@H](C#N)Oc1cc(C[N-]C(=O)C(F)(F)C(F)F)ccc1OC ZINC000176685329 715613877 /nfs/dbraw/zinc/61/38/77/715613877.db2.gz RBWIEVSTYSGGNX-JTQLQIEISA-N -1 1 348.296 2.893 20 30 EFEDMM C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000975907083 716040423 /nfs/dbraw/zinc/04/04/23/716040423.db2.gz PISYZKUONLPRMZ-KUHUBIRLSA-N -1 1 345.443 2.500 20 30 EFEDMM C#CCCCS(=O)(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000840945659 717821878 /nfs/dbraw/zinc/82/18/78/717821878.db2.gz UBLKPIMHWOOWCD-UHFFFAOYSA-N -1 1 331.319 2.737 20 30 EFEDMM CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000255913166 718355404 /nfs/dbraw/zinc/35/54/04/718355404.db2.gz YHIRPLPLOWIFTJ-OQFOIZHKSA-N -1 1 349.383 2.678 20 30 EFEDMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)[n-]1 ZINC000122772365 719784474 /nfs/dbraw/zinc/78/44/74/719784474.db2.gz JQHFNMCNOJJCAZ-UHFFFAOYSA-N -1 1 325.777 2.826 20 30 EFEDMM CC(C)c1nc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)c[n-]1 ZINC000122772365 719784476 /nfs/dbraw/zinc/78/44/76/719784476.db2.gz JQHFNMCNOJJCAZ-UHFFFAOYSA-N -1 1 325.777 2.826 20 30 EFEDMM C#Cc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)nc1 ZINC000729012574 724672178 /nfs/dbraw/zinc/67/21/78/724672178.db2.gz QCLYNWXBNAQRBP-UHFFFAOYSA-N -1 1 349.342 2.794 20 30 EFEDMM C=CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000728869142 724845272 /nfs/dbraw/zinc/84/52/72/724845272.db2.gz XIFVHTZENULDCP-UHFFFAOYSA-N -1 1 340.427 2.908 20 30 EFEDMM C=C(Br)CNC(=O)c1ccc(Br)cc1[O-] ZINC000049450779 723065193 /nfs/dbraw/zinc/06/51/93/723065193.db2.gz BGIPGRFMDKLRLT-UHFFFAOYSA-N -1 1 334.995 2.793 20 30 EFEDMM C#CCCCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230901372 723259960 /nfs/dbraw/zinc/25/99/60/723259960.db2.gz QMTXBOMYACTILV-UHFFFAOYSA-N -1 1 343.164 2.530 20 30 EFEDMM [O-]c1c(O)cc(C=NNCCC(F)(F)F)cc1Br ZINC000794553133 723515486 /nfs/dbraw/zinc/51/54/86/723515486.db2.gz XOTSKWYNVPYJPP-UHFFFAOYSA-N -1 1 327.100 2.736 20 30 EFEDMM C#Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000320552493 724011014 /nfs/dbraw/zinc/01/10/14/724011014.db2.gz PUQKDXQVUFUQHQ-UHFFFAOYSA-N -1 1 335.768 2.820 20 30 EFEDMM N#Cc1ccc(OCCOC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000925267081 725497027 /nfs/dbraw/zinc/49/70/27/725497027.db2.gz YWTGEHAWWDNJDG-UHFFFAOYSA-N -1 1 349.346 2.685 20 30 EFEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1C1CC1 ZINC000151740764 725821068 /nfs/dbraw/zinc/82/10/68/725821068.db2.gz CZBZKGVNWVMWEG-UHFFFAOYSA-N -1 1 334.367 2.502 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1Cl ZINC000152769889 726249743 /nfs/dbraw/zinc/24/97/43/726249743.db2.gz WKOZDKYKNVVSEI-UHFFFAOYSA-N -1 1 348.767 2.683 20 30 EFEDMM O=c1nc(NN=Cc2ccc(-c3ccccc3)cc2)nc2[nH][n-]cc1-2 ZINC000731154996 726813249 /nfs/dbraw/zinc/81/32/49/726813249.db2.gz MZLUZKCBFFFGOC-UHFFFAOYSA-N -1 1 330.351 2.545 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc2c3c(cccc31)CC2 ZINC000731154762 726813376 /nfs/dbraw/zinc/81/33/76/726813376.db2.gz BSAUYIUQGJUHGJ-UHFFFAOYSA-N -1 1 344.378 2.520 20 30 EFEDMM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc([N+](=O)[O-])c1O ZINC000027123366 726868175 /nfs/dbraw/zinc/86/81/75/726868175.db2.gz RAUZIRAUPCRORE-NSCUHMNNSA-N -1 1 349.320 2.965 20 30 EFEDMM CC1(C)Cc2occc2C(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1 ZINC000731486306 726879558 /nfs/dbraw/zinc/87/95/58/726879558.db2.gz IFBLJCWUEWAGPT-UHFFFAOYSA-N -1 1 343.408 2.695 20 30 EFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547081 726891855 /nfs/dbraw/zinc/89/18/55/726891855.db2.gz WUCVCFYFGUFVPP-AWEZNQCLSA-N -1 1 327.271 2.695 20 30 EFEDMM C=CCCC[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000910916076 727471880 /nfs/dbraw/zinc/47/18/80/727471880.db2.gz DAXHGTMZVWRVFK-ZWKOTPCHSA-N -1 1 344.455 2.967 20 30 EFEDMM CC(C)(C)NC(=S)NN=Cc1cccc(Br)c1[O-] ZINC000915951555 727642309 /nfs/dbraw/zinc/64/23/09/727642309.db2.gz OIPDBKHUFPJLCT-UHFFFAOYSA-N -1 1 330.251 2.751 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000111995421 727642245 /nfs/dbraw/zinc/64/22/45/727642245.db2.gz FEJHCHONWCWJES-UHFFFAOYSA-N -1 1 327.409 2.959 20 30 EFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000733076349 727658335 /nfs/dbraw/zinc/65/83/35/727658335.db2.gz NMVICVJMIYNVPX-UHFFFAOYSA-N -1 1 325.390 2.580 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)c1 ZINC000912825062 727748179 /nfs/dbraw/zinc/74/81/79/727748179.db2.gz BENBIHSUXIRTRV-UHFFFAOYSA-N -1 1 333.254 2.901 20 30 EFEDMM O=C([O-])COc1ccccc1CN=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000912825260 727748269 /nfs/dbraw/zinc/74/82/69/727748269.db2.gz ODPSBDJQADAGQF-UHFFFAOYSA-N -1 1 346.293 2.751 20 30 EFEDMM C=CCSc1ccccc1C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912862339 727752484 /nfs/dbraw/zinc/75/24/84/727752484.db2.gz NCCGFGGDHXJTLN-LBPRGKRZSA-N -1 1 349.485 2.702 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913301799 727814626 /nfs/dbraw/zinc/81/46/26/727814626.db2.gz BJRUBEPPGMZNNK-LBPRGKRZSA-N -1 1 331.372 2.640 20 30 EFEDMM N#Cc1cc(F)c(C(=O)[N-]c2c3ccccc3oc2C(N)=O)c(F)c1 ZINC000154418961 727814728 /nfs/dbraw/zinc/81/47/28/727814728.db2.gz JSFXLHBUVKBZTE-UHFFFAOYSA-N -1 1 341.273 2.934 20 30 EFEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000170718385 728470015 /nfs/dbraw/zinc/47/00/15/728470015.db2.gz ZMTGHQWOYQPQET-UHFFFAOYSA-N -1 1 329.377 2.668 20 30 EFEDMM CCCCCCCCN1C(=O)C(=CNCC(C)C)C(=O)[N-]C1=S ZINC000920976561 729250094 /nfs/dbraw/zinc/25/00/94/729250094.db2.gz XMQWTFFQGSQXOF-OWBHPGMISA-N -1 1 339.505 2.720 20 30 EFEDMM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000819750254 945279471 /nfs/dbraw/zinc/27/94/71/945279471.db2.gz BJFFBHAGUSOOAH-OAHLLOKOSA-N -1 1 338.396 2.681 20 30 EFEDMM C=C(CC)C(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001573295955 947033853 /nfs/dbraw/zinc/03/38/53/947033853.db2.gz WOUBUDABQGROTA-UHFFFAOYSA-N -1 1 336.355 2.959 20 30 EFEDMM C=C(CC)C(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001573295955 947033866 /nfs/dbraw/zinc/03/38/66/947033866.db2.gz WOUBUDABQGROTA-UHFFFAOYSA-N -1 1 336.355 2.959 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001573348045 947579333 /nfs/dbraw/zinc/57/93/33/947579333.db2.gz LTXQKOGJVSOTHZ-UHFFFAOYSA-N -1 1 327.369 2.745 20 30 EFEDMM C=CCSc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001573349196 947591891 /nfs/dbraw/zinc/59/18/91/947591891.db2.gz ZVXAWRNHEMKUKK-UHFFFAOYSA-N -1 1 338.396 2.792 20 30 EFEDMM C=CCSc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001573349196 947591899 /nfs/dbraw/zinc/59/18/99/947591899.db2.gz ZVXAWRNHEMKUKK-UHFFFAOYSA-N -1 1 338.396 2.792 20 30 EFEDMM N#CC(C(=O)[C@@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600722 956124794 /nfs/dbraw/zinc/12/47/94/956124794.db2.gz DQOQOGSJQAVHER-CABZTGNLSA-N -1 1 333.294 2.718 20 30 EFEDMM C[C@@]1(C(=O)[O-])CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001589189173 956588808 /nfs/dbraw/zinc/58/88/08/956588808.db2.gz WIXLJTFHQKFYPG-HNNXBMFYSA-N -1 1 327.302 2.876 20 30 EFEDMM N#Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000113250285 958444103 /nfs/dbraw/zinc/44/41/03/958444103.db2.gz MZYYYYXNXRRXAD-UHFFFAOYSA-N -1 1 342.785 2.772 20 30 EFEDMM C=CCO[C@@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001327336585 961153230 /nfs/dbraw/zinc/15/32/30/961153230.db2.gz JAWJGWFJZALMDS-CYBMUJFWSA-N -1 1 325.792 2.694 20 30 EFEDMM C=CCO[C@H]1CCN(Cc2c(Br)cccc2C(=O)[O-])C1 ZINC001327336054 961154269 /nfs/dbraw/zinc/15/42/69/961154269.db2.gz DAPWXBMEOUFWSV-NSHDSACASA-N -1 1 340.217 2.924 20 30 EFEDMM C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@@H]1C(=O)[O-] ZINC001603460768 973294518 /nfs/dbraw/zinc/29/45/18/973294518.db2.gz JOGBARQWXVYWPM-MFKMUULPSA-N -1 1 337.217 2.863 20 30 EFEDMM N#CC[C@@H]1CCCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001605582066 973864353 /nfs/dbraw/zinc/86/43/53/973864353.db2.gz SNUARQFIXJFRCC-LSDHHAIUSA-N -1 1 331.416 2.706 20 30 EFEDMM N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC001605611242 973915761 /nfs/dbraw/zinc/91/57/61/973915761.db2.gz MNKSXFMNYJDMFK-CQSZACIVSA-N -1 1 349.818 2.869 20 30 EFEDMM CC(C)c1cc([C@H]2CCCN(c3ccc(C(=O)[O-])nc3C#N)C2)[nH]n1 ZINC001591930882 976428919 /nfs/dbraw/zinc/42/89/19/976428919.db2.gz DNRRPQQJPCYJQA-LBPRGKRZSA-N -1 1 339.399 2.882 20 30 EFEDMM C=CCOC[C@@H](NCc1ccc(-c2scnc2C)cc1)C(=O)[O-] ZINC000901808796 980530174 /nfs/dbraw/zinc/53/01/74/980530174.db2.gz LPNCZCHPHZFSJC-OAHLLOKOSA-N -1 1 332.425 2.864 20 30 EFEDMM CC[C@@](C)(C(=O)[O-])N(CC(=O)Nc1sccc1C#N)CC1CC1 ZINC001594778679 981780526 /nfs/dbraw/zinc/78/05/26/981780526.db2.gz YVYXYXDELCYMGH-INIZCTEOSA-N -1 1 335.429 2.524 20 30 EFEDMM CCCc1c(C(=O)Nc2cc(C#N)ccc2O)[nH]c(C)c1C(=O)[O-] ZINC001596045661 983335505 /nfs/dbraw/zinc/33/55/05/983335505.db2.gz JTEVYMGDLPUCQK-UHFFFAOYSA-N -1 1 327.340 2.803 20 30 EFEDMM C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001588434739 983472018 /nfs/dbraw/zinc/47/20/18/983472018.db2.gz RUBDAICKCFUNNN-QWHCGFSZSA-N -1 1 334.441 2.817 20 30 EFEDMM C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001588434737 983472080 /nfs/dbraw/zinc/47/20/80/983472080.db2.gz RUBDAICKCFUNNN-CHWSQXEVSA-N -1 1 334.441 2.817 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001588612507 983703003 /nfs/dbraw/zinc/70/30/03/983703003.db2.gz QVTXJIBVRKRSJH-JKSUJKDBSA-N -1 1 330.428 2.529 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001588612507 983703005 /nfs/dbraw/zinc/70/30/05/983703005.db2.gz QVTXJIBVRKRSJH-JKSUJKDBSA-N -1 1 330.428 2.529 20 30 EFEDMM C=CC[C@@H](C(=O)[O-])N1CCc2c(F)ccc(Br)c2C1 ZINC001588732076 984014829 /nfs/dbraw/zinc/01/48/29/984014829.db2.gz UXOOUGVPEMGANE-ZDUSSCGKSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCC[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC001588776980 984154539 /nfs/dbraw/zinc/15/45/39/984154539.db2.gz PJBJHJRYRBBZJE-AEFFLSMTSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001588879806 984459676 /nfs/dbraw/zinc/45/96/76/984459676.db2.gz QEFKRDKNFNPDLY-OLZOCXBDSA-N -1 1 334.441 2.698 20 30 EFEDMM C=CCN1C(=O)N=NC1SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001588907292 984538988 /nfs/dbraw/zinc/53/89/88/984538988.db2.gz HVSLISLNQIMUIU-UHFFFAOYSA-N -1 1 342.380 2.708 20 30 EFEDMM CCOC(=O)CCC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001596601405 984558758 /nfs/dbraw/zinc/55/87/58/984558758.db2.gz JKBIHAVYQGHCRQ-UHFFFAOYSA-N -1 1 344.411 2.812 20 30 EFEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)OCC(=O)N2 ZINC001589017583 985004847 /nfs/dbraw/zinc/00/48/47/985004847.db2.gz VPUFAABAAGODTP-UHFFFAOYSA-N -1 1 343.314 2.691 20 30 EFEDMM CC(=O)Nc1cccc2c1CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001589216082 985714546 /nfs/dbraw/zinc/71/45/46/985714546.db2.gz SASVQRREZNSKOF-IBGZPJMESA-N -1 1 349.390 2.701 20 30 EFEDMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC001599959029 985744472 /nfs/dbraw/zinc/74/44/72/985744472.db2.gz NQZRXWJFFLLKMI-UHFFFAOYSA-N -1 1 325.368 2.601 20 30 EFEDMM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001599866394 989268469 /nfs/dbraw/zinc/26/84/69/989268469.db2.gz KVSZHKRLUQVICD-MRXNPFEDSA-N -1 1 349.434 2.963 20 30 EFEDMM CN(CC#Cc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598376620 991567848 /nfs/dbraw/zinc/56/78/48/991567848.db2.gz YEAXNODDIRYNOO-UHFFFAOYSA-N -1 1 327.355 2.773 20 30 EFEDMM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H](c2ccccc2)C1 ZINC001598619138 993963661 /nfs/dbraw/zinc/96/36/61/993963661.db2.gz HQFUETDLUXQBCJ-IBGZPJMESA-N -1 1 335.407 2.745 20 30 EFEDMM COc1ccc([C@@H](NCc2ccc(C)c(C#N)c2)C(=O)[O-])c(OC)c1 ZINC001599533287 997698359 /nfs/dbraw/zinc/69/83/59/997698359.db2.gz ZCUMACUUPXACFY-GOSISDBHSA-N -1 1 340.379 2.799 20 30 EFEDMM CO[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC001599123191 997780960 /nfs/dbraw/zinc/78/09/60/997780960.db2.gz IFZSZRUYTLTHDO-TZMCWYRMSA-N -1 1 342.317 2.641 20 30 EFEDMM C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cc2ccccc2s1 ZINC001575445030 1088472824 /nfs/dbraw/zinc/47/28/24/1088472824.db2.gz PPLUKZNTZDKSGX-VIFPVBQESA-N -1 1 348.395 2.916 20 30 EFEDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2C1 ZINC001647134394 1088971793 /nfs/dbraw/zinc/97/17/93/1088971793.db2.gz JAXQMHUZTJWYBS-KRWDZBQOSA-N -1 1 342.420 2.667 20 30 EFEDMM C[C@H]1CCc2ccccc2N1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC001647157207 1089011238 /nfs/dbraw/zinc/01/12/38/1089011238.db2.gz VZVXZQQEJFGZBE-AWEZNQCLSA-N -1 1 335.407 2.835 20 30 EFEDMM N#CCN(C(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001581858256 1091322725 /nfs/dbraw/zinc/32/27/25/1091322725.db2.gz XAOLDTWADFARKK-UHFFFAOYSA-N -1 1 344.787 2.752 20 30 EFEDMM N#Cc1ccc(Br)cc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC001581870603 1091326597 /nfs/dbraw/zinc/32/65/97/1091326597.db2.gz KEHFTYCJLDSWJY-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1ccc(Br)cc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC001581870603 1091326605 /nfs/dbraw/zinc/32/66/05/1091326605.db2.gz KEHFTYCJLDSWJY-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001581874539 1091328715 /nfs/dbraw/zinc/32/87/15/1091328715.db2.gz VTOQNKKJRWKGSX-SNVBAGLBSA-N -1 1 343.803 2.948 20 30 EFEDMM N#Cc1nc(SCc2cccc3ccccc32)cnc1-c1nn[n-]n1 ZINC001581881271 1091331429 /nfs/dbraw/zinc/33/14/29/1091331429.db2.gz SWTHSMNZFSXJPA-UHFFFAOYSA-N -1 1 345.391 2.974 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2sccc2Br)c(=O)o1 ZINC000588467707 1092233324 /nfs/dbraw/zinc/23/33/24/1092233324.db2.gz JIFHJLLRXSNPFO-ZZKXABKFSA-N -1 1 341.182 2.739 20 30 EFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)[C@H]1C[C@@H]1F ZINC001143431508 1092525508 /nfs/dbraw/zinc/52/55/08/1092525508.db2.gz FDWDDXBCOBXVMM-LJQVYFLESA-N -1 1 332.360 2.518 20 30 EFEDMM C#C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588328165 1092926024 /nfs/dbraw/zinc/92/60/24/1092926024.db2.gz ADFJVAZTYDHJLO-VIFPVBQESA-N -1 1 334.767 2.902 20 30 EFEDMM C#C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588328165 1092926037 /nfs/dbraw/zinc/92/60/37/1092926037.db2.gz ADFJVAZTYDHJLO-VIFPVBQESA-N -1 1 334.767 2.902 20 30 EFEDMM C#CCC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588337280 1092929078 /nfs/dbraw/zinc/92/90/78/1092929078.db2.gz MKESOSPJGWNELT-NSHDSACASA-N -1 1 339.355 2.518 20 30 EFEDMM C#CCC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588337280 1092929090 /nfs/dbraw/zinc/92/90/90/1092929090.db2.gz MKESOSPJGWNELT-NSHDSACASA-N -1 1 339.355 2.518 20 30 EFEDMM C#Cc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001588374906 1092935531 /nfs/dbraw/zinc/93/55/31/1092935531.db2.gz VYDWOEJSVPSQSX-UHFFFAOYSA-N -1 1 329.772 2.815 20 30 EFEDMM C=C(C)[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(F)c1 ZINC001588401526 1092942838 /nfs/dbraw/zinc/94/28/38/1092942838.db2.gz SXCDFQALOUCEQV-CQSZACIVSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C(C)[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(F)c1 ZINC001588401526 1092942843 /nfs/dbraw/zinc/94/28/43/1092942843.db2.gz SXCDFQALOUCEQV-CQSZACIVSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588435937 1092945815 /nfs/dbraw/zinc/94/58/15/1092945815.db2.gz IHTNBOZUJSTVHU-TYNCELHUSA-N -1 1 327.388 2.799 20 30 EFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588435937 1092945824 /nfs/dbraw/zinc/94/58/24/1092945824.db2.gz IHTNBOZUJSTVHU-TYNCELHUSA-N -1 1 327.388 2.799 20 30 EFEDMM C=C(C)COc1cccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001588429966 1092946017 /nfs/dbraw/zinc/94/60/17/1092946017.db2.gz PRXBYLAKKOAIKH-UHFFFAOYSA-N -1 1 339.355 2.975 20 30 EFEDMM C=C(C)COc1cccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001588429966 1092946024 /nfs/dbraw/zinc/94/60/24/1092946024.db2.gz PRXBYLAKKOAIKH-UHFFFAOYSA-N -1 1 339.355 2.975 20 30 EFEDMM C=CC[C@H](CC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588540850 1092955145 /nfs/dbraw/zinc/95/51/45/1092955145.db2.gz GOLHTSJWZYISFW-LBPRGKRZSA-N -1 1 340.387 2.643 20 30 EFEDMM C=CC[C@H](CC)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588540850 1092955155 /nfs/dbraw/zinc/95/51/55/1092955155.db2.gz GOLHTSJWZYISFW-LBPRGKRZSA-N -1 1 340.387 2.643 20 30 EFEDMM C=CCC1(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)CCCC1 ZINC001588553218 1092956901 /nfs/dbraw/zinc/95/69/01/1092956901.db2.gz JPOFRXKWDVIZLM-UHFFFAOYSA-N -1 1 347.369 2.898 20 30 EFEDMM C=CCC1(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)CCCC1 ZINC001588553218 1092956917 /nfs/dbraw/zinc/95/69/17/1092956917.db2.gz JPOFRXKWDVIZLM-UHFFFAOYSA-N -1 1 347.369 2.898 20 30 EFEDMM C=CCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CCCC1 ZINC001588557271 1092960207 /nfs/dbraw/zinc/96/02/07/1092960207.db2.gz JKXYGOZZXAEWQX-UHFFFAOYSA-N -1 1 332.795 2.534 20 30 EFEDMM C=CCC1(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCOCC1 ZINC001588557617 1092961156 /nfs/dbraw/zinc/96/11/56/1092961156.db2.gz QCINKBVKRAHGHD-UHFFFAOYSA-N -1 1 345.407 2.749 20 30 EFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588560909 1092961768 /nfs/dbraw/zinc/96/17/68/1092961768.db2.gz VKFGNOIYORREIT-GHMZBOCLSA-N -1 1 347.448 2.888 20 30 EFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588560909 1092961776 /nfs/dbraw/zinc/96/17/76/1092961776.db2.gz VKFGNOIYORREIT-GHMZBOCLSA-N -1 1 347.448 2.888 20 30 EFEDMM CC(=NNC[C@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001588777398 1092992392 /nfs/dbraw/zinc/99/23/92/1092992392.db2.gz SEUOLINZHZQFGF-SECBINFHSA-N -1 1 326.376 2.677 20 30 EFEDMM CC(=NN[C@H]1CC(C)(C)OC1(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC001588776656 1092992668 /nfs/dbraw/zinc/99/26/68/1092992668.db2.gz ZQOUMQCIYWNLEJ-LBPRGKRZSA-N -1 1 334.449 2.588 20 30 EFEDMM CC(C)(C#N)CCCCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589033860 1093018935 /nfs/dbraw/zinc/01/89/35/1093018935.db2.gz LOSKKXYDSNQQBL-UHFFFAOYSA-N -1 1 331.351 2.883 20 30 EFEDMM CC(C)(C#N)CCCCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589033860 1093018939 /nfs/dbraw/zinc/01/89/39/1093018939.db2.gz LOSKKXYDSNQQBL-UHFFFAOYSA-N -1 1 331.351 2.883 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)cc2F)o1 ZINC001589237737 1093055002 /nfs/dbraw/zinc/05/50/02/1093055002.db2.gz DVZLFZINVXJHHX-UHFFFAOYSA-N -1 1 347.329 2.876 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)o2)o1 ZINC001589664828 1093122709 /nfs/dbraw/zinc/12/27/09/1093122709.db2.gz YEABDUDWJWBWHX-UHFFFAOYSA-N -1 1 335.755 2.746 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC(C)(C)[C@H]2CCCCO2)o1 ZINC001589773948 1093142697 /nfs/dbraw/zinc/14/26/97/1093142697.db2.gz QKYISZYDDYZOLR-LLVKDONJSA-N -1 1 347.423 2.971 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3cccnc32)o1 ZINC001589773728 1093142803 /nfs/dbraw/zinc/14/28/03/1093142803.db2.gz KOUJSJSXTHZROZ-UHFFFAOYSA-N -1 1 338.375 2.526 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccccc2Cl)o1 ZINC001589899366 1093171672 /nfs/dbraw/zinc/17/16/72/1093171672.db2.gz ICWUSIUHLUKWFZ-UHFFFAOYSA-N -1 1 331.767 2.847 20 30 EFEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1csc2ccccc12 ZINC001589988217 1093211499 /nfs/dbraw/zinc/21/14/99/1093211499.db2.gz WYEMQEVWBQYYTH-SECBINFHSA-N -1 1 348.395 2.916 20 30 EFEDMM CCc1ccc(C(CC)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC001590359168 1093390585 /nfs/dbraw/zinc/39/05/85/1093390585.db2.gz QXPWDBPXFOENOL-UHFFFAOYSA-N -1 1 325.376 2.952 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001590367485 1093392143 /nfs/dbraw/zinc/39/21/43/1093392143.db2.gz APSIWJBYOHJMOF-CYBMUJFWSA-N -1 1 335.371 2.555 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001590367485 1093392153 /nfs/dbraw/zinc/39/21/53/1093392153.db2.gz APSIWJBYOHJMOF-CYBMUJFWSA-N -1 1 335.371 2.555 20 30 EFEDMM CCC[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590571228 1093495215 /nfs/dbraw/zinc/49/52/15/1093495215.db2.gz YKEHIYMWKIBLIJ-RYUDHWBXSA-N -1 1 326.408 2.547 20 30 EFEDMM CCC[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590571228 1093495222 /nfs/dbraw/zinc/49/52/22/1093495222.db2.gz YKEHIYMWKIBLIJ-RYUDHWBXSA-N -1 1 326.408 2.547 20 30 EFEDMM CCCCOc1ccc(CN=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC001590612467 1093515126 /nfs/dbraw/zinc/51/51/26/1093515126.db2.gz FKMPWQYRBYIGBA-UHFFFAOYSA-N -1 1 341.375 2.788 20 30 EFEDMM CCOc1cccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001590841215 1093593832 /nfs/dbraw/zinc/59/38/32/1093593832.db2.gz HWJFAZQLMCZOMG-SREVYHEPSA-N -1 1 327.369 2.618 20 30 EFEDMM CCOc1cccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001590841215 1093593840 /nfs/dbraw/zinc/59/38/40/1093593840.db2.gz HWJFAZQLMCZOMG-SREVYHEPSA-N -1 1 327.369 2.618 20 30 EFEDMM COc1cc(C=CC(=O)c2cc(C)ccc2[O-])ccc1-c1nn[nH]n1 ZINC001591522977 1093751940 /nfs/dbraw/zinc/75/19/40/1093751940.db2.gz NVNWWIBEYSOKBA-YVMONPNESA-N -1 1 336.351 2.785 20 30 EFEDMM COc1ccc(F)cc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001591605981 1093792553 /nfs/dbraw/zinc/79/25/53/1093792553.db2.gz JCVQBJAUHYSLMC-UHFFFAOYSA-N -1 1 345.338 2.572 20 30 EFEDMM COc1ccc2c(c1)CCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591625794 1093804225 /nfs/dbraw/zinc/80/42/25/1093804225.db2.gz BENXYLFGMAQAIE-JXMROGBWSA-N -1 1 339.380 2.544 20 30 EFEDMM COc1ccc2c(c1)CCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591625794 1093804228 /nfs/dbraw/zinc/80/42/28/1093804228.db2.gz BENXYLFGMAQAIE-JXMROGBWSA-N -1 1 339.380 2.544 20 30 EFEDMM COc1cccc2c1CCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591642989 1093815924 /nfs/dbraw/zinc/81/59/24/1093815924.db2.gz SRRFZGBCLCZURS-CLFYSBASSA-N -1 1 339.380 2.544 20 30 EFEDMM COc1cccc2c1CCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591642989 1093815930 /nfs/dbraw/zinc/81/59/30/1093815930.db2.gz SRRFZGBCLCZURS-CLFYSBASSA-N -1 1 339.380 2.544 20 30 EFEDMM CSc1ccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001591706811 1093835309 /nfs/dbraw/zinc/83/53/09/1093835309.db2.gz NBVQBXFYFCWGFS-SREVYHEPSA-N -1 1 329.410 2.941 20 30 EFEDMM CSc1ccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001591706811 1093835318 /nfs/dbraw/zinc/83/53/18/1093835318.db2.gz NBVQBXFYFCWGFS-SREVYHEPSA-N -1 1 329.410 2.941 20 30 EFEDMM CSc1ccc(CNc2snc(C)c2-c2nn[n-]n2)cc1C#N ZINC001591715005 1093840477 /nfs/dbraw/zinc/84/04/77/1093840477.db2.gz WKCQEBPNJMOZGC-UHFFFAOYSA-N -1 1 343.441 2.837 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1cccc(F)c1-c1nn[nH]n1)O2 ZINC001592056078 1093968440 /nfs/dbraw/zinc/96/84/40/1093968440.db2.gz JTDMJYHVIDPACW-MLPAPPSSSA-N -1 1 338.298 2.636 20 30 EFEDMM Cc1cc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1C#N ZINC001592068021 1093973420 /nfs/dbraw/zinc/97/34/20/1093973420.db2.gz LJNQMCQLVHYOHD-UHFFFAOYSA-N -1 1 339.340 2.501 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCSc1ccc(C)c(C)c1 ZINC001592198791 1094027469 /nfs/dbraw/zinc/02/74/69/1094027469.db2.gz YGYPMJWEDGRXLB-UHFFFAOYSA-N -1 1 339.428 2.652 20 30 EFEDMM Cc1ccccc1SC[C@@H](C)Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001592259666 1094056041 /nfs/dbraw/zinc/05/60/41/1094056041.db2.gz RPQXTPJYOCOPAC-NSHDSACASA-N -1 1 339.428 2.672 20 30 EFEDMM Cc1ccsc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001592285614 1094065714 /nfs/dbraw/zinc/06/57/14/1094065714.db2.gz QYXUURRGZYOGBY-UHFFFAOYSA-N -1 1 331.405 2.869 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCc1c(Cl)cccc1Cl ZINC001592334936 1094079405 /nfs/dbraw/zinc/07/94/05/1094079405.db2.gz HYDZNAJILXBXCS-UHFFFAOYSA-N -1 1 348.197 2.793 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCc1cc(Cl)cc(Cl)c1 ZINC001592335257 1094079752 /nfs/dbraw/zinc/07/97/52/1094079752.db2.gz PESNYYQOMBIOEV-UHFFFAOYSA-N -1 1 348.197 2.793 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1C/C=C\c1ccc(Cl)cc1 ZINC001592335158 1094080510 /nfs/dbraw/zinc/08/05/10/1094080510.db2.gz MTNABTYJKSZDNK-IHWYPQMZSA-N -1 1 325.763 2.610 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C(F)(F)F)cc2)o1 ZINC001592338834 1094080853 /nfs/dbraw/zinc/08/08/53/1094080853.db2.gz QIMAOSKZFKBMDM-UHFFFAOYSA-N -1 1 337.265 2.628 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CC[C@@H](Cc3ccccc3)C2)o1 ZINC001592337030 1094081370 /nfs/dbraw/zinc/08/13/70/1094081370.db2.gz NBIXGXOTVNQKOQ-ZDUSSCGKSA-N -1 1 337.387 2.974 20 30 EFEDMM Cc1cc(CN=Nc2oc(C)nc2-c2nn[n-]n2)c(C)n1CC(C)C ZINC001592339176 1094081704 /nfs/dbraw/zinc/08/17/04/1094081704.db2.gz XUZDXTIHXSHITA-UHFFFAOYSA-N -1 1 342.407 2.683 20 30 EFEDMM N#CCc1ccnc(NCc2ccc(F)c(-c3nn[n-]n3)c2Cl)c1 ZINC001592681038 1094176460 /nfs/dbraw/zinc/17/64/60/1094176460.db2.gz UAHMKWXGOKGAPQ-UHFFFAOYSA-N -1 1 343.753 2.732 20 30 EFEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)o1)CCCC2 ZINC001592686097 1094176499 /nfs/dbraw/zinc/17/64/99/1094176499.db2.gz FETRGJGXRNTKMR-UHFFFAOYSA-N -1 1 340.368 2.524 20 30 EFEDMM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592687347 1094177448 /nfs/dbraw/zinc/17/74/48/1094177448.db2.gz XBWNUPQBNUTLGW-PLNGDYQASA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592687347 1094177450 /nfs/dbraw/zinc/17/74/50/1094177450.db2.gz XBWNUPQBNUTLGW-PLNGDYQASA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592696651 1094180084 /nfs/dbraw/zinc/18/00/84/1094180084.db2.gz PPKOJZGKWQIRFC-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM N#Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592696651 1094180088 /nfs/dbraw/zinc/18/00/88/1094180088.db2.gz PPKOJZGKWQIRFC-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM N#Cc1nc(S[C@H]2CCCc3ccccc32)cnc1-c1nn[n-]n1 ZINC001592707426 1094182952 /nfs/dbraw/zinc/18/29/52/1094182952.db2.gz CNBUOXBUBAOJEW-ZDUSSCGKSA-N -1 1 335.396 2.698 20 30 EFEDMM N#Cc1nc(Nc2ccc3c(c2)CCCCC3)cnc1-c1nnn[n-]1 ZINC001592707714 1094183640 /nfs/dbraw/zinc/18/36/40/1094183640.db2.gz XECKTFPSFILODY-UHFFFAOYSA-N -1 1 332.371 2.541 20 30 EFEDMM N#Cc1nc(Nc2ccc3c(c2)CCCCC3)cnc1-c1nn[n-]n1 ZINC001592707714 1094183644 /nfs/dbraw/zinc/18/36/44/1094183644.db2.gz XECKTFPSFILODY-UHFFFAOYSA-N -1 1 332.371 2.541 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccnn1C1CCC1 ZINC001592790979 1094186875 /nfs/dbraw/zinc/18/68/75/1094186875.db2.gz BGDIPSCZLZWJMG-GQCTYLIASA-N -1 1 326.385 2.746 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(CC2CCC2)c1 ZINC001592792046 1094187733 /nfs/dbraw/zinc/18/77/33/1094187733.db2.gz SZUXCXYZUDBBHB-XQRVVYSFSA-N -1 1 340.412 2.821 20 30 EFEDMM O=C(C=Cc1csc(-c2nn[n-]n2)c1)c1cnn(CC2CCC2)c1 ZINC001592804050 1094192435 /nfs/dbraw/zinc/19/24/35/1094192435.db2.gz SZMHRJPGDHIOPI-PLNGDYQASA-N -1 1 340.412 2.821 20 30 EFEDMM Cc1cc(CN2CCN(c3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC001600194435 1094862355 /nfs/dbraw/zinc/86/23/55/1094862355.db2.gz HMZHIAZJFUNJLT-UHFFFAOYSA-N -1 1 335.407 2.887 20 30 EFEDMM C=C(Cl)CN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ncccc1[O-] ZINC001087282761 1094877416 /nfs/dbraw/zinc/87/74/16/1094877416.db2.gz DKMYQTBVRTUUSH-UHOFOFEASA-N -1 1 349.862 2.759 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)Cc3cccc(C(=O)[O-])c3)[nH]c21 ZINC001600555919 1095162027 /nfs/dbraw/zinc/16/20/27/1095162027.db2.gz RVSNEFVNJNTXNQ-AWEZNQCLSA-N -1 1 333.347 2.989 20 30 EFEDMM N#C[C@]1(c2ccccn2)CCCN(C[C@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001601059324 1095486684 /nfs/dbraw/zinc/48/66/84/1095486684.db2.gz XLCJFOITKVMOAE-JTDSTZFVSA-N -1 1 327.428 2.830 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1O ZINC001601093662 1095504619 /nfs/dbraw/zinc/50/46/19/1095504619.db2.gz WVIAAXAZIIJOIZ-UHFFFAOYSA-N -1 1 342.376 2.834 20 30 EFEDMM N#Cc1ccc([C@H](OC(=O)c2ccc(O)c(Cl)c2)C(=O)[O-])cc1 ZINC001601099590 1095511738 /nfs/dbraw/zinc/51/17/38/1095511738.db2.gz RKXVBZYQDYWGOO-AWEZNQCLSA-N -1 1 331.711 2.900 20 30 EFEDMM N#Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC001601102484 1095514097 /nfs/dbraw/zinc/51/40/97/1095514097.db2.gz DTZDBDCWAHDTQM-QGZVFWFLSA-N -1 1 326.327 2.548 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)CCc3ccccc3C(=O)[O-])[nH]c2c1 ZINC001601113869 1095519554 /nfs/dbraw/zinc/51/95/54/1095519554.db2.gz CUGWWMKWIWOJOC-UHFFFAOYSA-N -1 1 334.335 2.704 20 30 EFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001601117541 1095522133 /nfs/dbraw/zinc/52/21/33/1095522133.db2.gz CWEJTZAZHILUAJ-FPOVZHCZSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1cccc([C@H](NCc2cc(OCC(F)F)ccn2)C(=O)[O-])c1 ZINC001601118632 1095523629 /nfs/dbraw/zinc/52/36/29/1095523629.db2.gz LRZKHAKISCHSIV-INIZCTEOSA-N -1 1 347.321 2.513 20 30 EFEDMM N#Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)c1F ZINC001601121960 1095527764 /nfs/dbraw/zinc/52/77/64/1095527764.db2.gz ABSGWODWMQTCRC-RCBQFDQVSA-N -1 1 332.375 2.542 20 30 EFEDMM N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001601124145 1095528946 /nfs/dbraw/zinc/52/89/46/1095528946.db2.gz DPEMWYZCPGQCFU-YCPHGPKFSA-N -1 1 343.383 2.932 20 30 EFEDMM N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001601124144 1095529566 /nfs/dbraw/zinc/52/95/66/1095529566.db2.gz DPEMWYZCPGQCFU-OFQRWUPVSA-N -1 1 343.383 2.932 20 30 EFEDMM O=C([O-])[C@@H]1CSCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001601855279 1095935741 /nfs/dbraw/zinc/93/57/41/1095935741.db2.gz AWQUHVZVMATLJU-ZDUSSCGKSA-N -1 1 343.370 2.807 20 30 EFEDMM O=C([O-])c1c(F)cccc1N=NCc1ccc(-n2cncn2)c(F)c1 ZINC001602230530 1096127937 /nfs/dbraw/zinc/12/79/37/1096127937.db2.gz KYLHUYPGNTXYME-UHFFFAOYSA-N -1 1 343.293 2.690 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc3c2OCC3)c(=O)o1 ZINC000782880828 1096197387 /nfs/dbraw/zinc/19/73/87/1096197387.db2.gz PAQHHCVNRALFOT-FAAWYNLUSA-N -1 1 332.739 2.503 20 30 EFEDMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC001602630705 1096334096 /nfs/dbraw/zinc/33/40/96/1096334096.db2.gz ASTKWUKFZJAHSA-HNNXBMFYSA-N -1 1 335.787 2.803 20 30 EFEDMM C#CC[C@@H](NCc1c(Br)ccc(Cl)c1F)C(=O)[O-] ZINC001602695223 1096351358 /nfs/dbraw/zinc/35/13/58/1096351358.db2.gz ZJHDADVBAYBONF-SNVBAGLBSA-N -1 1 334.572 2.808 20 30 EFEDMM C#CCOc1ccccc1CNCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001602734438 1096358385 /nfs/dbraw/zinc/35/83/85/1096358385.db2.gz MBELYTLVRCTWPX-UHFFFAOYSA-N -1 1 338.407 2.824 20 30 EFEDMM C=C(C)COc1cccc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001602764938 1096366089 /nfs/dbraw/zinc/36/60/89/1096366089.db2.gz YLKZNIYWZOCEIR-UHFFFAOYSA-N -1 1 348.380 2.536 20 30 EFEDMM C=CC[C@@H]1N(C(=O)c2cc(-c3nnn[n-]3)oc2C)CCCC1(C)C ZINC001602823398 1096378209 /nfs/dbraw/zinc/37/82/09/1096378209.db2.gz KGSBXYMIJJADTE-AWEZNQCLSA-N -1 1 329.404 2.975 20 30 EFEDMM C=CC[C@@H]1N(C(=O)c2cc(-c3nn[n-]n3)oc2C)CCCC1(C)C ZINC001602823398 1096378217 /nfs/dbraw/zinc/37/82/17/1096378217.db2.gz KGSBXYMIJJADTE-AWEZNQCLSA-N -1 1 329.404 2.975 20 30 EFEDMM C=CCC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1 ZINC001602833175 1096379194 /nfs/dbraw/zinc/37/91/94/1096379194.db2.gz HJLFUZMKNSWPHN-CYBMUJFWSA-N -1 1 332.371 2.648 20 30 EFEDMM C=CCC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1 ZINC001602833175 1096379204 /nfs/dbraw/zinc/37/92/04/1096379204.db2.gz HJLFUZMKNSWPHN-CYBMUJFWSA-N -1 1 332.371 2.648 20 30 EFEDMM C=CCC[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001602833459 1096379965 /nfs/dbraw/zinc/37/99/65/1096379965.db2.gz MWEASWTUBVAYOU-ZDUSSCGKSA-N -1 1 332.371 2.648 20 30 EFEDMM C=CC[C@H](Sc1nc(-c2ccc(OC)cc2OC)n[nH]1)C(=O)[O-] ZINC001602849221 1096384164 /nfs/dbraw/zinc/38/41/64/1096384164.db2.gz MEKQWYRZBXJHMF-LBPRGKRZSA-N -1 1 335.385 2.610 20 30 EFEDMM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001602849937 1096384421 /nfs/dbraw/zinc/38/44/21/1096384421.db2.gz KDKAWIDEOMZHBI-UHFFFAOYSA-N -1 1 329.404 2.977 20 30 EFEDMM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001602849937 1096384430 /nfs/dbraw/zinc/38/44/30/1096384430.db2.gz KDKAWIDEOMZHBI-UHFFFAOYSA-N -1 1 329.404 2.977 20 30 EFEDMM C=CCO[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001602906743 1096397583 /nfs/dbraw/zinc/39/75/83/1096397583.db2.gz MFYCEVNNWPHNHU-ZDUSSCGKSA-N -1 1 340.217 2.924 20 30 EFEDMM CC(=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)c1csc(Cl)c1 ZINC001602912492 1096399146 /nfs/dbraw/zinc/39/91/46/1096399146.db2.gz RRFGZFKCULIESM-UHFFFAOYSA-N -1 1 348.819 2.632 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Cl)cc(C)c2O)o1 ZINC001602912470 1096399522 /nfs/dbraw/zinc/39/95/22/1096399522.db2.gz QNXXGDVNFWGZRX-UHFFFAOYSA-N -1 1 347.766 2.667 20 30 EFEDMM Cc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)o1 ZINC001602911745 1096399913 /nfs/dbraw/zinc/39/99/13/1096399913.db2.gz IJDSEHRWQFKOHC-UHFFFAOYSA-N -1 1 329.364 2.791 20 30 EFEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccccc1-n1ccnn1 ZINC001602992336 1096417849 /nfs/dbraw/zinc/41/78/49/1096417849.db2.gz SDOZUYCPJDAUSZ-UHFFFAOYSA-N -1 1 339.330 2.941 20 30 EFEDMM CC(C)(C)CN(CCC#N)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603073983 1096433964 /nfs/dbraw/zinc/43/39/64/1096433964.db2.gz DBVCFOGHYJYUQB-UHFFFAOYSA-N -1 1 325.829 2.743 20 30 EFEDMM CC(C)(C)CN(CCC#N)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603073983 1096433970 /nfs/dbraw/zinc/43/39/70/1096433970.db2.gz DBVCFOGHYJYUQB-UHFFFAOYSA-N -1 1 325.829 2.743 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c(F)cccc2F)o1 ZINC001603122145 1096451313 /nfs/dbraw/zinc/45/13/13/1096451313.db2.gz HRLIDLBXHCSTKM-UHFFFAOYSA-N -1 1 347.329 2.876 20 30 EFEDMM CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC001603132076 1096455090 /nfs/dbraw/zinc/45/50/90/1096455090.db2.gz QKFDZTSXFXPVOT-BLLLJJGKSA-N -1 1 349.456 2.576 20 30 EFEDMM CC(C)[C@H](Cc1ccccc1)NN=Cc1nc(-c2nnn[n-]2)cs1 ZINC001603223752 1096477568 /nfs/dbraw/zinc/47/75/68/1096477568.db2.gz PBLZMLPKBDJGCI-ZDUSSCGKSA-N -1 1 341.444 2.514 20 30 EFEDMM CC(C)[C@H](Cc1ccccc1)NN=Cc1nc(-c2nn[n-]n2)cs1 ZINC001603223752 1096477573 /nfs/dbraw/zinc/47/75/73/1096477573.db2.gz PBLZMLPKBDJGCI-ZDUSSCGKSA-N -1 1 341.444 2.514 20 30 EFEDMM CC(C)CC[C@@H]1CCC[C@@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603278515 1096493078 /nfs/dbraw/zinc/49/30/78/1096493078.db2.gz QPJKXXVTZFMUPP-RYUDHWBXSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CCN(CCC#N)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603282716 1096494680 /nfs/dbraw/zinc/49/46/80/1096494680.db2.gz AWUVUWFWTSOKTQ-UHFFFAOYSA-N -1 1 329.364 2.541 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CS[C@@H](C(C)C)C2)o1 ZINC001603308748 1096501710 /nfs/dbraw/zinc/50/17/10/1096501710.db2.gz UVZIGBNRWLOYEQ-LLVKDONJSA-N -1 1 349.464 2.983 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCOc3ccccc32)o1 ZINC001603407284 1096522243 /nfs/dbraw/zinc/52/22/43/1096522243.db2.gz QUVPIZVFHXKHEW-UHFFFAOYSA-N -1 1 339.359 2.577 20 30 EFEDMM CC(CSCCF)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001603572597 1096555330 /nfs/dbraw/zinc/55/53/30/1096555330.db2.gz POMWJZTVMIVVCA-UHFFFAOYSA-N -1 1 341.416 2.643 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604175445 1096762180 /nfs/dbraw/zinc/76/21/80/1096762180.db2.gz HMEMICUNNOQITJ-CYBMUJFWSA-N -1 1 330.436 2.988 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604175445 1096762183 /nfs/dbraw/zinc/76/21/83/1096762183.db2.gz HMEMICUNNOQITJ-CYBMUJFWSA-N -1 1 330.436 2.988 20 30 EFEDMM C[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001604330624 1096815149 /nfs/dbraw/zinc/81/51/49/1096815149.db2.gz UVTAPDKIHNFYOE-CYBMUJFWSA-N -1 1 337.379 2.570 20 30 EFEDMM C[C@@H](NCc1cccc(OCC#N)c1)c1ccccc1OCC(=O)[O-] ZINC001604346472 1096822597 /nfs/dbraw/zinc/82/25/97/1096822597.db2.gz HULRRIUQMOFLAU-CQSZACIVSA-N -1 1 340.379 2.903 20 30 EFEDMM CN(CCc1cccc(C#N)c1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001604791877 1096954955 /nfs/dbraw/zinc/95/49/55/1096954955.db2.gz ORFDUTGPPXVBBT-UHFFFAOYSA-N -1 1 345.819 2.527 20 30 EFEDMM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001604971453 1096990052 /nfs/dbraw/zinc/99/00/52/1096990052.db2.gz SPRVSQBUIRPCSQ-QPJJXVBHSA-N -1 1 340.364 2.611 20 30 EFEDMM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001604971453 1096990057 /nfs/dbraw/zinc/99/00/57/1096990057.db2.gz SPRVSQBUIRPCSQ-QPJJXVBHSA-N -1 1 340.364 2.611 20 30 EFEDMM COCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)C1CCCC1 ZINC001605036603 1097007218 /nfs/dbraw/zinc/00/72/18/1097007218.db2.gz RXRFYUPNOZCXCH-UHFFFAOYSA-N -1 1 347.423 2.658 20 30 EFEDMM COc1cc(C)ccc1C(=O)C=Cc1nc(-c2nnn[n-]2)cs1 ZINC001605203062 1097050027 /nfs/dbraw/zinc/05/00/27/1097050027.db2.gz SEBNACQBXGPRAU-WAYWQWQTSA-N -1 1 327.369 2.536 20 30 EFEDMM COc1cc(C)ccc1C(=O)C=Cc1nc(-c2nn[n-]n2)cs1 ZINC001605203062 1097050033 /nfs/dbraw/zinc/05/00/33/1097050033.db2.gz SEBNACQBXGPRAU-WAYWQWQTSA-N -1 1 327.369 2.536 20 30 EFEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)O2 ZINC001605756037 1097216258 /nfs/dbraw/zinc/21/62/58/1097216258.db2.gz IRDKIVWLYWHRMM-LFYBBSHMSA-N -1 1 325.353 2.556 20 30 EFEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)O2 ZINC001605756037 1097216261 /nfs/dbraw/zinc/21/62/61/1097216261.db2.gz IRDKIVWLYWHRMM-LFYBBSHMSA-N -1 1 325.353 2.556 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001606019967 1097300316 /nfs/dbraw/zinc/30/03/16/1097300316.db2.gz PHYVIFGGSYZRER-DTWKUNHWSA-N -1 1 343.313 2.930 20 30 EFEDMM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(F)c(C#N)c1 ZINC001606162548 1097332945 /nfs/dbraw/zinc/33/29/45/1097332945.db2.gz AGIICOJVGSVAFD-UHFFFAOYSA-N -1 1 328.343 2.793 20 30 EFEDMM N#Cc1ccc(Cl)c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167939235 1097383783 /nfs/dbraw/zinc/38/37/83/1097383783.db2.gz RBCWMLKPNKOTHB-UHFFFAOYSA-N -1 1 349.714 2.691 20 30 EFEDMM N#Cc1ncc(N[C@H](C2CCC2)C2CCCCC2)nc1-c1nn[n-]n1 ZINC001606398282 1097398367 /nfs/dbraw/zinc/39/83/67/1097398367.db2.gz UXXVOIAZZKRYHM-HNNXBMFYSA-N -1 1 338.419 2.689 20 30 EFEDMM N#Cc1nc(N[C@H]2CCC[C@H](c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001606392787 1097398742 /nfs/dbraw/zinc/39/87/42/1097398742.db2.gz DESCYAPZNCITMZ-KBPBESRZSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1nc(N[C@H]2CCC[C@H](c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001606392787 1097398749 /nfs/dbraw/zinc/39/87/49/1097398749.db2.gz DESCYAPZNCITMZ-KBPBESRZSA-N -1 1 346.398 2.667 20 30 EFEDMM O=C(C=Cc1ccnn1CC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606486997 1097407525 /nfs/dbraw/zinc/40/75/25/1097407525.db2.gz BXKMQTRNSSOYMD-PLNGDYQASA-N -1 1 340.412 2.821 20 30 EFEDMM O=C(C=Cc1ccnn1CC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606486997 1097407526 /nfs/dbraw/zinc/40/75/26/1097407526.db2.gz BXKMQTRNSSOYMD-PLNGDYQASA-N -1 1 340.412 2.821 20 30 EFEDMM COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)C(=O)[O-])c(OC)c1 ZINC001607234145 1097568710 /nfs/dbraw/zinc/56/87/10/1097568710.db2.gz ITQYXLYZVKBKSN-KRWDZBQOSA-N -1 1 344.342 2.630 20 30 EFEDMM Cc1oc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1C(=O)[O-] ZINC001608050697 1097817300 /nfs/dbraw/zinc/81/73/00/1097817300.db2.gz HQIPBCZTYJFERP-UHFFFAOYSA-N -1 1 340.379 2.953 20 30 EFEDMM N#Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1 ZINC001608209592 1097864193 /nfs/dbraw/zinc/86/41/93/1097864193.db2.gz UIDWCODROLSXQY-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM N#Cc1cccc(OC2CCN(Cc3cccc(C(=O)[O-])n3)CC2)c1 ZINC001608218094 1097867041 /nfs/dbraw/zinc/86/70/41/1097867041.db2.gz FOYJZRBAFIRQJG-UHFFFAOYSA-N -1 1 337.379 2.695 20 30 EFEDMM N#Cc1ccsc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001608222980 1097869621 /nfs/dbraw/zinc/86/96/21/1097869621.db2.gz MBTRIKXWAOGSIH-IHRRRGAJSA-N -1 1 347.440 2.524 20 30 EFEDMM O=C([O-])[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H]([C@@H]2CCCO2)C1 ZINC001608633964 1097972753 /nfs/dbraw/zinc/97/27/53/1097972753.db2.gz NEHNHRRNTQTUCU-NJAFHUGGSA-N -1 1 331.387 2.521 20 30 EFEDMM O=C([O-])c1ccccc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC001608947405 1098087106 /nfs/dbraw/zinc/08/71/06/1098087106.db2.gz QQGFIULSYXMLCI-UHFFFAOYSA-N -1 1 340.379 2.772 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(N)ccc2F)o1 ZINC001609061138 1098125508 /nfs/dbraw/zinc/12/55/08/1098125508.db2.gz HBRSCOFATJEOCP-UHFFFAOYSA-N -1 1 344.354 2.536 20 30 EFEDMM CCO[C@H]1CCCC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001609239249 1098217635 /nfs/dbraw/zinc/21/76/35/1098217635.db2.gz CWEQDTOQOCPALM-JTQLQIEISA-N -1 1 333.396 2.509 20 30 EFEDMM COC1(CC(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCC1 ZINC001609312764 1098245094 /nfs/dbraw/zinc/24/50/94/1098245094.db2.gz PYMRAINBYVIHOX-UHFFFAOYSA-N -1 1 333.396 2.725 20 30 EFEDMM COc1cccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1 ZINC001609360612 1098266287 /nfs/dbraw/zinc/26/62/87/1098266287.db2.gz FACOJMYYANCWMG-UHFFFAOYSA-N -1 1 341.375 2.508 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001609467518 1098341208 /nfs/dbraw/zinc/34/12/08/1098341208.db2.gz JQLAZMMMIPWXHI-CQSZACIVSA-N -1 1 336.355 2.543 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001609467518 1098341213 /nfs/dbraw/zinc/34/12/13/1098341213.db2.gz JQLAZMMMIPWXHI-CQSZACIVSA-N -1 1 336.355 2.543 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001609467517 1098341560 /nfs/dbraw/zinc/34/15/60/1098341560.db2.gz JQLAZMMMIPWXHI-AWEZNQCLSA-N -1 1 336.355 2.543 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001609467517 1098341569 /nfs/dbraw/zinc/34/15/69/1098341569.db2.gz JQLAZMMMIPWXHI-AWEZNQCLSA-N -1 1 336.355 2.543 20 30 EFEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(OCC(=O)[O-])cc1 ZINC001609556783 1098379723 /nfs/dbraw/zinc/37/97/23/1098379723.db2.gz KJIKQDUYMVOMLX-UHFFFAOYSA-N -1 1 338.367 2.873 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CSc2c(F)cccc21 ZINC001609585704 1098392303 /nfs/dbraw/zinc/39/23/03/1098392303.db2.gz BXGVTNQXTNATFC-QPJJXVBHSA-N -1 1 345.384 2.834 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)CSc2c(F)cccc21 ZINC001609585704 1098392308 /nfs/dbraw/zinc/39/23/08/1098392308.db2.gz BXGVTNQXTNATFC-QPJJXVBHSA-N -1 1 345.384 2.834 20 30 EFEDMM C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001609634538 1098411002 /nfs/dbraw/zinc/41/10/02/1098411002.db2.gz FTYLUCRNQGOBOC-CQSZACIVSA-N -1 1 343.427 2.548 20 30 EFEDMM CC[C@@](NCc1ccc(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609930574 1098497899 /nfs/dbraw/zinc/49/78/99/1098497899.db2.gz IDSUOPCFKFCKBF-SFHVURJKSA-N -1 1 339.351 2.946 20 30 EFEDMM CCC1CCC(NCC(=O)Nc2oc(C)c(C)c2C#N)(C(=O)[O-])CC1 ZINC001609943773 1098501503 /nfs/dbraw/zinc/50/15/03/1098501503.db2.gz LAIMLBKOKQQCQH-UHFFFAOYSA-N -1 1 347.415 2.720 20 30 EFEDMM COC(=O)c1ccc(N=NCc2cc(C(=O)[O-])ccc2Cl)nc1 ZINC001610215373 1098575210 /nfs/dbraw/zinc/57/52/10/1098575210.db2.gz HEPAAHWUBIOVKA-UHFFFAOYSA-N -1 1 333.731 2.666 20 30 EFEDMM Cc1cc([C@H](C)N2CC[C@H](Oc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001610443853 1098680646 /nfs/dbraw/zinc/68/06/46/1098680646.db2.gz BGKWLYWAHVMPDD-JSGCOSHPSA-N -1 1 341.367 2.767 20 30 EFEDMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC001610488652 1098708939 /nfs/dbraw/zinc/70/89/39/1098708939.db2.gz PMGQFVVOYMMWCR-ZDUSSCGKSA-N -1 1 337.379 2.854 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN(CCC(=O)[O-])CC(C)C)c1C#N ZINC001610566937 1098757410 /nfs/dbraw/zinc/75/74/10/1098757410.db2.gz GFCZNSJCCUKXOH-UHFFFAOYSA-N -1 1 340.427 2.985 20 30 EFEDMM Cc1sc(NC(=O)CNC2(C(=O)[O-])CCCCCC2)c(C#N)c1C ZINC001610592491 1098774244 /nfs/dbraw/zinc/77/42/44/1098774244.db2.gz YOVZRXRVVHIOFE-UHFFFAOYSA-N -1 1 349.456 2.942 20 30 EFEDMM N#CCCN(C(=O)CN[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001610621840 1098787646 /nfs/dbraw/zinc/78/76/46/1098787646.db2.gz WRLKSXMFVKSVCX-SFHVURJKSA-N -1 1 343.427 2.556 20 30 EFEDMM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1F ZINC001610630726 1098793883 /nfs/dbraw/zinc/79/38/83/1098793883.db2.gz CZEXUKSPDKHPCP-KRWDZBQOSA-N -1 1 326.327 2.548 20 30 EFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCC3(C2)Oc2ccccc2O3)c1 ZINC001610630528 1098794098 /nfs/dbraw/zinc/79/40/98/1098794098.db2.gz SZXZLCATWSRROX-QGZVFWFLSA-N -1 1 336.347 2.557 20 30 EFEDMM N#Cc1ccc(-n2ccc(NC(=O)c3ccc([O-])cn3)n2)c(Cl)c1 ZINC001637067281 1100755926 /nfs/dbraw/zinc/75/59/26/1100755926.db2.gz UWVZABYFNBJIFF-UHFFFAOYSA-N -1 1 339.742 2.750 20 30 EFEDMM Cc1cnc(SCc2nnc(-c3ccc(C#N)cc3)o2)[n-]c1=O ZINC001651998850 1101417380 /nfs/dbraw/zinc/41/73/80/1101417380.db2.gz PGYPJHJSJHYQIY-UHFFFAOYSA-N -1 1 325.353 2.705 20 30 EFEDMM N#Cc1ccc(CC[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cc1 ZINC001655995589 1101923769 /nfs/dbraw/zinc/92/37/69/1101923769.db2.gz JVNXNSSFZMAIPX-UHFFFAOYSA-N -1 1 344.367 2.965 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)cs1 ZINC000782242237 1102120229 /nfs/dbraw/zinc/12/02/29/1102120229.db2.gz FKAUDFTUFQEXRU-UHFFFAOYSA-N -1 1 345.789 2.622 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c([O-])cccc1Cl ZINC001271647553 1102205212 /nfs/dbraw/zinc/20/52/12/1102205212.db2.gz LXQZHQSXQIDHQF-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1c(F)cccc1F ZINC000785413645 1103924846 /nfs/dbraw/zinc/92/48/46/1103924846.db2.gz LEFILSSQCAEFMV-PBHICJAKSA-N -1 1 346.333 2.784 20 30 EFEDMM CCOc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OC(=O)CC ZINC000841604140 1104165062 /nfs/dbraw/zinc/16/50/62/1104165062.db2.gz MWIPOFNCRFBELI-UHFFFAOYSA-N -1 1 344.371 2.651 20 30 EFEDMM C=C(Cl)C[C@H](NCc1ncc(Br)cc1F)C(=O)[O-] ZINC000864519787 1105339848 /nfs/dbraw/zinc/33/98/48/1105339848.db2.gz ZEGCVHWKTJPRCK-VIFPVBQESA-N -1 1 337.576 2.669 20 30 EFEDMM COc1cc(C=NNc2cc(C)ccn2)ccc1OCCC(=O)[O-] ZINC000783855450 1106015772 /nfs/dbraw/zinc/01/57/72/1106015772.db2.gz MKQBJILTOGSEKW-UHFFFAOYSA-N -1 1 329.356 2.698 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)cc1[O-] ZINC001272260836 1107433869 /nfs/dbraw/zinc/43/38/69/1107433869.db2.gz AXXURBYIMSIBDE-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM C=C(C)CN1CCC2(CCN(C(=O)c3cccc([O-])c3F)CC2)C1=O ZINC001272282595 1107466426 /nfs/dbraw/zinc/46/64/26/1107466426.db2.gz HYJJPFQKOXZCAZ-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc([O-])c1F ZINC001272284062 1107477590 /nfs/dbraw/zinc/47/75/90/1107477590.db2.gz ZPUXLBDFEPGJQH-LJQANCHMSA-N -1 1 346.402 2.705 20 30 EFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])c(F)c1 ZINC001272401832 1108187381 /nfs/dbraw/zinc/18/73/81/1108187381.db2.gz VTFAHCVFCXORNO-LJQANCHMSA-N -1 1 346.402 2.705 20 30 EFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])c(F)c1 ZINC001272401829 1108187498 /nfs/dbraw/zinc/18/74/98/1108187498.db2.gz VTFAHCVFCXORNO-IBGZPJMESA-N -1 1 346.402 2.705 20 30 EFEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(N2CCC(O)CC2)cc1 ZINC000905072115 1108394163 /nfs/dbraw/zinc/39/41/63/1108394163.db2.gz XYEKLGPCSHXGJZ-ODLFYWEKSA-N -1 1 337.375 2.970 20 30 EFEDMM O=C(/C=C\c1ccc(N2CCC(O)CC2)cc1)c1cc(O)ccc1[O-] ZINC000905073857 1108397762 /nfs/dbraw/zinc/39/77/62/1108397762.db2.gz MMMFTRCBVHFLRQ-CLTKARDFSA-N -1 1 339.391 2.955 20 30 EFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(F)c([O-])c1 ZINC001272227688 1108476253 /nfs/dbraw/zinc/47/62/53/1108476253.db2.gz REHFWBXHALNNGP-IBGZPJMESA-N -1 1 346.402 2.705 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)c(C)o2)cc1OC ZINC000128754435 1110066676 /nfs/dbraw/zinc/06/66/76/1110066676.db2.gz QFULTQJNSOJWIY-CYBMUJFWSA-N -1 1 342.351 2.875 20 30 EFEDMM CCOc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914600962 1111283569 /nfs/dbraw/zinc/28/35/69/1111283569.db2.gz ZQRLYRCLZNLRAG-UHFFFAOYSA-N -1 1 343.408 2.548 20 30 EFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cn3cccn3)o2)c1 ZINC000916896715 1111995616 /nfs/dbraw/zinc/99/56/16/1111995616.db2.gz APBMYADCDDPXEW-MRXNPFEDSA-N -1 1 348.362 2.794 20 30 EFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cn3cccn3)o2)c1 ZINC000916896708 1111995689 /nfs/dbraw/zinc/99/56/89/1111995689.db2.gz APBMYADCDDPXEW-INIZCTEOSA-N -1 1 348.362 2.794 20 30 EFEDMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C2(C#N)CC2)cc1 ZINC001212253220 1112357981 /nfs/dbraw/zinc/35/79/81/1112357981.db2.gz GEJUJCXKKYTPPL-UHFFFAOYSA-N -1 1 327.409 2.933 20 30 EFEDMM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000195526088 240228899 /nfs/dbraw/zinc/22/88/99/240228899.db2.gz GJHMAHHSBYQBQX-CQSZACIVSA-N -1 1 343.408 2.519 20 30 EFEDMM N#CC(=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccncn1 ZINC000354472556 242000333 /nfs/dbraw/zinc/00/03/33/242000333.db2.gz UNYNIYIKJYFJAC-QGZVFWFLSA-N -1 1 342.358 2.964 20 30 EFEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355829132 242048165 /nfs/dbraw/zinc/04/81/65/242048165.db2.gz GTHCHXHBWRMYCB-UHFFFAOYSA-N -1 1 346.408 2.579 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccn(C)c2CC)n1 ZINC000354974718 242019427 /nfs/dbraw/zinc/01/94/27/242019427.db2.gz YCQCIZIPCGYYSA-NSHDSACASA-N -1 1 331.397 2.711 20 30 EFEDMM C=C(C)COc1cccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)c1 ZINC000358331792 242116847 /nfs/dbraw/zinc/11/68/47/242116847.db2.gz LNUZRUQPSYCBTA-UHFFFAOYSA-N -1 1 338.367 2.881 20 30 EFEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000362585369 242260673 /nfs/dbraw/zinc/26/06/73/242260673.db2.gz BJGCIVVYLFYIMN-LBPRGKRZSA-N -1 1 348.399 2.931 20 30 EFEDMM N#CC1(c2ccccn2)CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000367716246 242390120 /nfs/dbraw/zinc/39/01/20/242390120.db2.gz ANTHFKDJNVUFJL-UHFFFAOYSA-N -1 1 343.333 2.763 20 30 EFEDMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1Cl ZINC000424624937 246808237 /nfs/dbraw/zinc/80/82/37/246808237.db2.gz RSYBCYSGVTVNIZ-HNNXBMFYSA-N -1 1 335.791 2.554 20 30 EFEDMM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](OC)C2 ZINC000425603797 247143976 /nfs/dbraw/zinc/14/39/76/247143976.db2.gz JKEBUAUGOBGHNL-SECBINFHSA-N -1 1 347.396 2.510 20 30 EFEDMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427103718 247318384 /nfs/dbraw/zinc/31/83/84/247318384.db2.gz YKVXGMICVVMVRN-UHFFFAOYSA-N -1 1 348.355 2.675 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C#N)c(OC)c2)[n-]c1=O ZINC000442323360 250077362 /nfs/dbraw/zinc/07/73/62/250077362.db2.gz LGGJGDOHJGODCQ-XFFZJAGNSA-N -1 1 339.351 2.800 20 30 EFEDMM CCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnc2ccccn21 ZINC000442634933 250093290 /nfs/dbraw/zinc/09/32/90/250093290.db2.gz CZXMHLCGPRMPHU-AWEZNQCLSA-N -1 1 335.367 2.578 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000442674923 250100652 /nfs/dbraw/zinc/10/06/52/250100652.db2.gz ZXWGPRWLSDKJRS-AWEZNQCLSA-N -1 1 346.390 3.000 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1[O-] ZINC000442672237 250101103 /nfs/dbraw/zinc/10/11/03/250101103.db2.gz PUEIKOYOYTVCHK-MRXNPFEDSA-N -1 1 346.390 2.918 20 30 EFEDMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442674362 250101142 /nfs/dbraw/zinc/10/11/42/250101142.db2.gz WEWHBDYOOJJIHF-KZULUSFZSA-N -1 1 340.379 2.778 20 30 EFEDMM Cn1cc(-c2cccc(CNC(=O)c3ccc(C#N)c([O-])c3)c2)cn1 ZINC000442674009 250100024 /nfs/dbraw/zinc/10/00/24/250100024.db2.gz WRBNHTLGSPKQCX-UHFFFAOYSA-N -1 1 332.363 2.594 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000442674926 250100411 /nfs/dbraw/zinc/10/04/11/250100411.db2.gz ZXWGPRWLSDKJRS-CQSZACIVSA-N -1 1 346.390 3.000 20 30 EFEDMM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)OCO2 ZINC000442947094 250142806 /nfs/dbraw/zinc/14/28/06/250142806.db2.gz UNLSNHXWFPBBOW-UHFFFAOYSA-N -1 1 338.363 2.700 20 30 EFEDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(F)(F)F ZINC000443934168 250237607 /nfs/dbraw/zinc/23/76/07/250237607.db2.gz HVBJUMGLBPVNHM-PRHODGIISA-N -1 1 338.326 2.953 20 30 EFEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172369035 533155573 /nfs/dbraw/zinc/15/55/73/533155573.db2.gz BCNINZRNHZWTTC-STQMWFEESA-N -1 1 340.470 2.859 20 30 EFEDMM N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000263496217 141399057 /nfs/dbraw/zinc/39/90/57/141399057.db2.gz SYKFAECLSLGQNF-UHFFFAOYSA-N -1 1 349.434 2.964 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000344562545 142040494 /nfs/dbraw/zinc/04/04/94/142040494.db2.gz PUNCUPVQSUFVHU-HOCLYGCPSA-N -1 1 330.409 2.841 20 30 EFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1C ZINC000349914155 142378098 /nfs/dbraw/zinc/37/80/98/142378098.db2.gz MLQFFSGEVSXJFF-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2c(Cl)cccc2Cl)o1 ZINC000344311961 145417623 /nfs/dbraw/zinc/41/76/23/145417623.db2.gz YHKIYRQAKKGOTF-UHFFFAOYSA-N -1 1 345.207 2.979 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000350872721 146097885 /nfs/dbraw/zinc/09/78/85/146097885.db2.gz WIOLSBFDPMYGLU-UHFFFAOYSA-N -1 1 331.397 2.547 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000350974137 146104495 /nfs/dbraw/zinc/10/44/95/146104495.db2.gz YNJIAZMTTJXAIS-UHFFFAOYSA-N -1 1 331.397 2.547 20 30 EFEDMM N#Cc1cccc(F)c1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351310314 146121079 /nfs/dbraw/zinc/12/10/79/146121079.db2.gz YEEBAQGTQVTXHW-UHFFFAOYSA-N -1 1 336.326 2.974 20 30 EFEDMM C[C@@]1(CNC(=O)c2ccc(C#N)c([O-])c2)OCCc2sccc21 ZINC000359261461 148038798 /nfs/dbraw/zinc/03/87/98/148038798.db2.gz NIOLDCFAZHBAKR-KRWDZBQOSA-N -1 1 328.393 2.543 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)cc1[O-] ZINC000360479659 148371910 /nfs/dbraw/zinc/37/19/10/148371910.db2.gz PXNZKEQDXNIUJE-HNNXBMFYSA-N -1 1 330.771 2.771 20 30 EFEDMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCCc4c3cnn4C)cnc2n1 ZINC000328865512 292304206 /nfs/dbraw/zinc/30/42/06/292304206.db2.gz WKVKHFZICXJYKI-CQSZACIVSA-N -1 1 337.383 2.760 20 30 EFEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCCc3c1cnn3C)c2=O ZINC000328865512 292304208 /nfs/dbraw/zinc/30/42/08/292304208.db2.gz WKVKHFZICXJYKI-CQSZACIVSA-N -1 1 337.383 2.760 20 30 EFEDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000490610844 270030404 /nfs/dbraw/zinc/03/04/04/270030404.db2.gz VXPHZMZVCPAJHN-UHFFFAOYSA-N -1 1 339.804 2.549 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(-n2cccn2)c1 ZINC000188594377 265142371 /nfs/dbraw/zinc/14/23/71/265142371.db2.gz YOULNUOQPJKEBR-ZDUSSCGKSA-N -1 1 332.363 2.941 20 30 EFEDMM N#Cc1ccc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cc1[O-] ZINC000188670142 265146237 /nfs/dbraw/zinc/14/62/37/265146237.db2.gz LVAGRYQYGLHFCE-GOSISDBHSA-N -1 1 336.391 2.738 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1[O-] ZINC000188724008 265151898 /nfs/dbraw/zinc/15/18/98/265151898.db2.gz LJLSERFFXWLHJU-HXUWFJFHSA-N -1 1 334.375 2.578 20 30 EFEDMM C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(O)c2)C[N@@H+]1Cc1ccccc1 ZINC000188731490 265152016 /nfs/dbraw/zinc/15/20/16/265152016.db2.gz IKFKCRQPTWCYLM-KSSFIOAISA-N -1 1 335.407 2.657 20 30 EFEDMM CC1(C)C(c2cc([N-]S(=O)(=O)c3cncc(C#N)c3)[nH]n2)C1(C)C ZINC000295189014 265949075 /nfs/dbraw/zinc/94/90/75/265949075.db2.gz KMRWXJIUBNWWKG-UHFFFAOYSA-N -1 1 345.428 2.627 20 30 EFEDMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000188685922 266346650 /nfs/dbraw/zinc/34/66/50/266346650.db2.gz WHNKKAFYPBMBGT-JTQLQIEISA-N -1 1 346.412 2.733 20 30 EFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H](c2ccsc2)O1 ZINC000188659156 267225470 /nfs/dbraw/zinc/22/54/70/267225470.db2.gz AZPVIPJHYPTXDN-ZBEGNZNMSA-N -1 1 328.393 2.928 20 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/nfs/dbraw/zinc/20/68/51/268206851.db2.gz FSPARPMGASSOHE-JSGCOSHPSA-N -1 1 334.372 2.905 20 30 EFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000063878737 292679189 /nfs/dbraw/zinc/67/91/89/292679189.db2.gz WHMPYGVLGCSWND-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000135669877 310658324 /nfs/dbraw/zinc/65/83/24/310658324.db2.gz UHJNPJBAJDTOTL-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1OC)C(F)(F)F ZINC000548473719 318112194 /nfs/dbraw/zinc/11/21/94/318112194.db2.gz WQGSEQAVVQKJHA-LBPRGKRZSA-N -1 1 336.335 2.576 20 30 EFEDMM Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000124272617 473226760 /nfs/dbraw/zinc/22/67/60/473226760.db2.gz YVBHQNPAMFJGHW-UHFFFAOYSA-N -1 1 328.365 2.685 20 30 EFEDMM C=CCOc1ccccc1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000081728089 473246659 /nfs/dbraw/zinc/24/66/59/473246659.db2.gz SARNLAKDRUVRIW-UHFFFAOYSA-N -1 1 345.424 2.707 20 30 EFEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000081939120 473274220 /nfs/dbraw/zinc/27/42/20/473274220.db2.gz IOWGVHIMAREVGA-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2ccnc(OC3CCCC3)c2)cc1[O-] ZINC000190502553 473298467 /nfs/dbraw/zinc/29/84/67/473298467.db2.gz IHLZBRHXKNKFKQ-UHFFFAOYSA-N -1 1 337.379 2.910 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2ccc(OC3CCCC3)nc2)cc1[O-] ZINC000190726573 473374490 /nfs/dbraw/zinc/37/44/90/473374490.db2.gz TYBZYCFLOAXCET-UHFFFAOYSA-N -1 1 337.379 2.910 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(N3CCc4ccccc43)CC2)c1 ZINC000619729338 479867931 /nfs/dbraw/zinc/86/79/31/479867931.db2.gz MGSAGWYTVMGSGP-UHFFFAOYSA-N -1 1 347.418 2.931 20 30 EFEDMM N#CC1(c2ccccn2)CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000619729441 479867985 /nfs/dbraw/zinc/86/79/85/479867985.db2.gz WAVRQRRTDKEEQO-UHFFFAOYSA-N -1 1 325.343 2.624 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)c1 ZINC000619778203 479881624 /nfs/dbraw/zinc/88/16/24/479881624.db2.gz PJYJNAILBKADIG-KRWDZBQOSA-N -1 1 341.798 2.704 20 30 EFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1Cl ZINC000006415521 471544940 /nfs/dbraw/zinc/54/49/40/471544940.db2.gz PGNKMRPYJTWYEY-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM C[C@H](O)[C@@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)Cc1ccccc1 ZINC000616687577 479950293 /nfs/dbraw/zinc/95/02/93/479950293.db2.gz XEYYRKVMYJSRIZ-VBKZILBWSA-N -1 1 338.407 2.623 20 30 EFEDMM C#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000014141106 471855434 /nfs/dbraw/zinc/85/54/34/471855434.db2.gz MFGUPQINUKDFMX-UHFFFAOYSA-N -1 1 348.811 2.504 20 30 EFEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000015508986 471906522 /nfs/dbraw/zinc/90/65/22/471906522.db2.gz SDQMVOBQBBFHMW-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000022416622 472015185 /nfs/dbraw/zinc/01/51/85/472015185.db2.gz RKCVEJHRELCPHT-UHFFFAOYSA-N -1 1 334.375 2.999 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COC)cc2)n1 ZINC000067896702 472106280 /nfs/dbraw/zinc/10/62/80/472106280.db2.gz DWAHVQQQSPECKC-CYBMUJFWSA-N -1 1 344.392 2.956 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)cc2)n1 ZINC000067895691 472106419 /nfs/dbraw/zinc/10/64/19/472106419.db2.gz IBTHYVRRQMOAJS-GFCCVEGCSA-N -1 1 330.365 2.818 20 30 EFEDMM COc1ccc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000067910077 472108447 /nfs/dbraw/zinc/10/84/47/472108447.db2.gz UYMPLLSYERGNII-UHFFFAOYSA-N -1 1 345.237 2.571 20 30 EFEDMM Cc1nc(C(=O)Nc2ccc(Br)cc2[O-])ccc1C#N ZINC000075664700 472178079 /nfs/dbraw/zinc/17/80/79/472178079.db2.gz GUIAUHXWFIHBAR-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM N#Cc1cc(NC(=O)NCc2n[n-]c(=S)n2C2CC2)ccc1F ZINC000085583819 472260174 /nfs/dbraw/zinc/26/01/74/472260174.db2.gz FBYZIVIXUPEQGS-UHFFFAOYSA-N -1 1 332.364 2.608 20 30 EFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000057125472 472383069 /nfs/dbraw/zinc/38/30/69/472383069.db2.gz LXUFIFWZODHGLA-UHFFFAOYSA-N -1 1 345.380 2.562 20 30 EFEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000154159821 472396091 /nfs/dbraw/zinc/39/60/91/472396091.db2.gz GGMBCPVVJPDBOP-UHFFFAOYSA-N -1 1 348.399 2.885 20 30 EFEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000154161116 472396297 /nfs/dbraw/zinc/39/62/97/472396297.db2.gz PPASTPZAZJIQDZ-UHFFFAOYSA-N -1 1 330.409 2.745 20 30 EFEDMM C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000116857603 472444527 /nfs/dbraw/zinc/44/45/27/472444527.db2.gz DZYYKCJTKYAQNV-ZDUSSCGKSA-N -1 1 345.424 2.577 20 30 EFEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccn1 ZINC000089545030 472458613 /nfs/dbraw/zinc/45/86/13/472458613.db2.gz SXXGZYHUXLKZHM-CYBMUJFWSA-N -1 1 342.362 2.942 20 30 EFEDMM N#Cc1nnc2ccccc2c1NCCc1n[n-]c(=S)n1C1CC1 ZINC000077218685 472477385 /nfs/dbraw/zinc/47/73/85/472477385.db2.gz RYTJUZWLWFSKBA-UHFFFAOYSA-N -1 1 337.412 2.745 20 30 EFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102879540 472598374 /nfs/dbraw/zinc/59/83/74/472598374.db2.gz XLZRPHYUEQKPFC-UHFFFAOYSA-N -1 1 347.371 2.711 20 30 EFEDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000155909929 472638437 /nfs/dbraw/zinc/63/84/37/472638437.db2.gz MKHUYIHLRXTJIO-UHFFFAOYSA-N -1 1 335.316 2.715 20 30 EFEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)on1 ZINC000157582347 472835917 /nfs/dbraw/zinc/83/59/17/472835917.db2.gz AMBOJEVXMLVGOW-UHFFFAOYSA-N -1 1 339.804 2.802 20 30 EFEDMM C[C@H]1CN(c2ccc(/N=C/c3ccc(O)c([O-])c3O)cc2)CCO1 ZINC000134282334 472891888 /nfs/dbraw/zinc/89/18/88/472891888.db2.gz YLABHFMNOAFGFI-NJDFMEINSA-N -1 1 328.368 2.779 20 30 EFEDMM N#CC(=C([O-])c1ccc(F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391196 472946709 /nfs/dbraw/zinc/94/67/09/472946709.db2.gz WQZIQXZCGQALLI-CQSZACIVSA-N -1 1 348.341 2.827 20 30 EFEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccccc3)nc(=O)c2c1C ZINC000121956586 472953857 /nfs/dbraw/zinc/95/38/57/472953857.db2.gz WHUFCAFYTSBCDP-GFCCVEGCSA-N -1 1 338.392 2.847 20 30 EFEDMM C=CCOCCCC(=O)N1CCC[C@H](c2n[n-]c(=S)n2CC)C1 ZINC000080076313 472971814 /nfs/dbraw/zinc/97/18/14/472971814.db2.gz AHYNZFUYPXCSAY-ZDUSSCGKSA-N -1 1 338.477 2.649 20 30 EFEDMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2o1 ZINC000080299914 473011966 /nfs/dbraw/zinc/01/19/66/473011966.db2.gz LSCBPZUMQSRGGV-UHFFFAOYSA-N -1 1 343.364 2.647 20 30 EFEDMM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1-n1cccc1 ZINC000122979361 473081804 /nfs/dbraw/zinc/08/18/04/473081804.db2.gz QLIQUPWUPCSCQK-ZDUSSCGKSA-N -1 1 344.378 2.588 20 30 EFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1F ZINC000066587901 473118274 /nfs/dbraw/zinc/11/82/74/473118274.db2.gz VVJQTQJSVBGUJI-UHFFFAOYSA-N -1 1 349.343 2.676 20 30 EFEDMM C[C@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094062308 473172345 /nfs/dbraw/zinc/17/23/45/473172345.db2.gz PEUNKOYYHKHQES-SECBINFHSA-N -1 1 345.305 2.565 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114061443 473435518 /nfs/dbraw/zinc/43/55/18/473435518.db2.gz HILBXPDGDPMDQU-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O ZINC000185657665 473480638 /nfs/dbraw/zinc/48/06/38/473480638.db2.gz JKBAAMXHPNWEAZ-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000114673421 473492075 /nfs/dbraw/zinc/49/20/75/473492075.db2.gz IWKOULLTPSLVHA-UHFFFAOYSA-N -1 1 341.392 2.552 20 30 EFEDMM CC#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000126528527 473523717 /nfs/dbraw/zinc/52/37/17/473523717.db2.gz CQTQFSRJZNNHQZ-UHFFFAOYSA-N -1 1 342.420 2.549 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000115312880 473554968 /nfs/dbraw/zinc/55/49/68/473554968.db2.gz MISJXUOBDBEXME-QFIPXVFZSA-N -1 1 348.449 2.546 20 30 EFEDMM C[C@@H](O)[C@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)Cc1ccccc1 ZINC000192034365 473612231 /nfs/dbraw/zinc/61/22/31/473612231.db2.gz BNPKZQCOWIHCNJ-VLIAUNLRSA-N -1 1 338.407 2.623 20 30 EFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1C ZINC000172503940 473626942 /nfs/dbraw/zinc/62/69/42/473626942.db2.gz SVKAIKYUSIXKMS-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000287667515 473728902 /nfs/dbraw/zinc/72/89/02/473728902.db2.gz DCVSTDLHLSSXLM-CYBMUJFWSA-N -1 1 346.408 2.558 20 30 EFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1F ZINC000193358732 473783330 /nfs/dbraw/zinc/78/33/30/473783330.db2.gz XMYXGYQETKVEHV-UHFFFAOYSA-N -1 1 347.371 2.651 20 30 EFEDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000187050383 473809104 /nfs/dbraw/zinc/80/91/04/473809104.db2.gz RUYOTBNBBHNYTI-UHFFFAOYSA-N -1 1 336.344 2.515 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@H](C)O[N-]C(=O)CCCc1ccccc1 ZINC000269463038 473819496 /nfs/dbraw/zinc/81/94/96/473819496.db2.gz YIZYIYJKBONDCS-INIZCTEOSA-N -1 1 332.444 2.870 20 30 EFEDMM N#Cc1ccc(C(=O)NCCc2ccccc2OC(F)F)cc1[O-] ZINC000188034218 473958561 /nfs/dbraw/zinc/95/85/61/473958561.db2.gz ZOKHCJUSMUPDJK-UHFFFAOYSA-N -1 1 332.306 2.838 20 30 EFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000188511195 474115688 /nfs/dbraw/zinc/11/56/88/474115688.db2.gz GUBWERWIJCDMBT-KRWDZBQOSA-N -1 1 349.390 2.531 20 30 EFEDMM Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1[N+](=O)[O-] ZINC000188615485 474142383 /nfs/dbraw/zinc/14/23/83/474142383.db2.gz PZZALSXKNQWQEW-NSHDSACASA-N -1 1 325.324 2.972 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(Cc2ccccc2)no1 ZINC000188622626 474144354 /nfs/dbraw/zinc/14/43/54/474144354.db2.gz ZXBDPKIJAUZLNI-GFCCVEGCSA-N -1 1 348.362 2.729 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1noc(-c2ccccc2)n1 ZINC000188666197 474158780 /nfs/dbraw/zinc/15/87/80/474158780.db2.gz LZFHPVCLWDPHNW-LLVKDONJSA-N -1 1 334.335 2.805 20 30 EFEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccccc2)no1 ZINC000188738390 474180135 /nfs/dbraw/zinc/18/01/35/474180135.db2.gz YRSLUIBRGHUPIS-LBPRGKRZSA-N -1 1 348.362 2.847 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000188764472 474188947 /nfs/dbraw/zinc/18/89/47/474188947.db2.gz AVWDBOZNDOKKBU-WBVHZDCISA-N -1 1 344.317 2.802 20 30 EFEDMM Cn1cc(CNC(=O)c2ccc(C#N)c([O-])c2)c(-c2ccccc2)n1 ZINC000188784053 474196266 /nfs/dbraw/zinc/19/62/66/474196266.db2.gz UKKKBHLRCGEWGY-UHFFFAOYSA-N -1 1 332.363 2.594 20 30 EFEDMM Cc1ccc(C)c(N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000188861161 474219578 /nfs/dbraw/zinc/21/95/78/474219578.db2.gz WHQIUFOSGHWTGS-UHFFFAOYSA-N -1 1 335.407 2.843 20 30 EFEDMM C=C(C)CN(C)C(=O)c1cc(I)ccc1[O-] ZINC000226535724 474242162 /nfs/dbraw/zinc/24/21/62/474242162.db2.gz GSVHPPVVRWIKIM-UHFFFAOYSA-N -1 1 331.153 2.645 20 30 EFEDMM C=CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000182830823 474266212 /nfs/dbraw/zinc/26/62/12/474266212.db2.gz YWGVJGOZUGKDAE-UHFFFAOYSA-N -1 1 331.397 2.795 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000189152586 474309176 /nfs/dbraw/zinc/30/91/76/474309176.db2.gz HBLAIOWQXOQUBD-HNNXBMFYSA-N -1 1 341.798 2.926 20 30 EFEDMM CC[C@@H](C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271220739 474449327 /nfs/dbraw/zinc/44/93/27/474449327.db2.gz CPSVKLCHFVCBHP-QMMMGPOBSA-N -1 1 345.277 2.535 20 30 EFEDMM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000184658302 474576682 /nfs/dbraw/zinc/57/66/82/474576682.db2.gz HNRVBSAFJGTWPX-LBPRGKRZSA-N -1 1 344.392 2.622 20 30 EFEDMM C=C[C@](C)(CCOC)C(=O)NCc1cccc(Br)c1[O-] ZINC000277415494 474584864 /nfs/dbraw/zinc/58/48/64/474584864.db2.gz CLLILEIKCDMMDG-OAHLLOKOSA-N -1 1 342.233 3.000 20 30 EFEDMM C=CCOCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277556777 474589842 /nfs/dbraw/zinc/58/98/42/474589842.db2.gz OUYQYFQQDYETFR-UHFFFAOYSA-N -1 1 328.206 2.754 20 30 EFEDMM C#CCO[N-]C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000291340518 474600855 /nfs/dbraw/zinc/60/08/55/474600855.db2.gz VVFAGHGZIUPSEJ-UKRRQHHQSA-N -1 1 332.400 2.570 20 30 EFEDMM N#C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C1CCCCC1 ZINC000278464831 474651161 /nfs/dbraw/zinc/65/11/61/474651161.db2.gz FWLFAQLYEBMCRH-HNNXBMFYSA-N -1 1 328.384 2.857 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(Cl)c1 ZINC000305826108 474792752 /nfs/dbraw/zinc/79/27/52/474792752.db2.gz CLUAKXMQUMKMPC-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)o3)c2C)o1 ZINC000340956556 474818078 /nfs/dbraw/zinc/81/80/78/474818078.db2.gz FEEXPMKFHLGNKJ-UHFFFAOYSA-N -1 1 332.341 2.552 20 30 EFEDMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000337252150 474827325 /nfs/dbraw/zinc/82/73/25/474827325.db2.gz KYRYXHMZLVXQGF-VZEFYGNVSA-N -1 1 328.412 2.666 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C#N ZINC000339075087 474904535 /nfs/dbraw/zinc/90/45/35/474904535.db2.gz MGXFKNIJQWVVQP-UHFFFAOYSA-N -1 1 334.328 2.505 20 30 EFEDMM N#Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000320775630 474916993 /nfs/dbraw/zinc/91/69/93/474916993.db2.gz ZCGLVARJKXLSBZ-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM CC(=O)Nc1ccc(OC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000328590001 475033779 /nfs/dbraw/zinc/03/37/79/475033779.db2.gz UHGFQGDXPKSJTH-UHFFFAOYSA-N -1 1 328.353 2.845 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000287426824 475142324 /nfs/dbraw/zinc/14/23/24/475142324.db2.gz PURUQKCDLOTLRB-GXTWGEPZSA-N -1 1 334.372 2.905 20 30 EFEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000337790206 475325568 /nfs/dbraw/zinc/32/55/68/475325568.db2.gz ASLGTXHQLLDQMD-UHFFFAOYSA-N -1 1 330.409 2.742 20 30 EFEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000345804253 475467059 /nfs/dbraw/zinc/46/70/59/475467059.db2.gz NOIJAASFWKUPPO-UHFFFAOYSA-N -1 1 325.324 2.837 20 30 EFEDMM CN(C)c1cc(Br)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000345988259 475549586 /nfs/dbraw/zinc/54/95/86/475549586.db2.gz FYAXQMBLNZIOCM-ZDUSSCGKSA-N -1 1 345.200 2.795 20 30 EFEDMM C=C(C)C[C@@H](C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000342172270 475568910 /nfs/dbraw/zinc/56/89/10/475568910.db2.gz VASPRPYPNFUBGF-LLVKDONJSA-N -1 1 326.418 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COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ncc1Br ZINC000589195501 479496451 /nfs/dbraw/zinc/49/64/51/479496451.db2.gz AWXDVNYYYGETQZ-UHFFFAOYSA-N -1 1 348.156 2.682 20 30 EFEDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)[nH]n1 ZINC000589586914 479542508 /nfs/dbraw/zinc/54/25/08/479542508.db2.gz OSDUXDBRBSAOKR-UHFFFAOYSA-N -1 1 332.429 2.865 20 30 EFEDMM C[C@H](CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000589895996 479581048 /nfs/dbraw/zinc/58/10/48/479581048.db2.gz WFGZEENRDBUWKU-CABCVRRESA-N -1 1 338.407 2.891 20 30 EFEDMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccc(C#N)cc3)n2)cc1 ZINC000578832500 479612216 /nfs/dbraw/zinc/61/22/16/479612216.db2.gz SMFQPOSVABYNTO-UHFFFAOYSA-N -1 1 338.392 2.626 20 30 EFEDMM Cc1ccc(-c2nc(S(=O)(=O)Cc3ccc(C#N)cc3)n[n-]2)cc1 ZINC000578832500 479612227 /nfs/dbraw/zinc/61/22/27/479612227.db2.gz SMFQPOSVABYNTO-UHFFFAOYSA-N -1 1 338.392 2.626 20 30 EFEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618892217 479624813 /nfs/dbraw/zinc/62/48/13/479624813.db2.gz JEFOLZZOBOIUGM-ZDUSSCGKSA-N -1 1 340.408 2.502 20 30 EFEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618892216 479625216 /nfs/dbraw/zinc/62/52/16/479625216.db2.gz JEFOLZZOBOIUGM-CYBMUJFWSA-N -1 1 340.408 2.502 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)c1 ZINC000590597595 479666134 /nfs/dbraw/zinc/66/61/34/479666134.db2.gz ISUCURWGLQOQOH-UHFFFAOYSA-N -1 1 328.349 2.598 20 30 EFEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(C2CC2)no1 ZINC000619248783 479730600 /nfs/dbraw/zinc/73/06/00/479730600.db2.gz QHNKRPQTXMITAK-AWEZNQCLSA-N -1 1 326.356 2.651 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Br)cn1 ZINC000619451428 479797260 /nfs/dbraw/zinc/79/72/60/479797260.db2.gz MXPXEZPKSYQFNN-VIFPVBQESA-N -1 1 346.184 2.912 20 30 EFEDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461799 479799940 /nfs/dbraw/zinc/79/99/40/479799940.db2.gz KAYHESHGMOPJOF-UHFFFAOYSA-N -1 1 343.408 2.902 20 30 EFEDMM CCOc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1OC ZINC000619462034 479800438 /nfs/dbraw/zinc/80/04/38/479800438.db2.gz SPPNPZXBYVOBOD-UHFFFAOYSA-N -1 1 346.408 2.961 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc2n[nH]cc21 ZINC000619463506 479801548 /nfs/dbraw/zinc/80/15/48/479801548.db2.gz KVOSVQGFHKSHOZ-UHFFFAOYSA-N -1 1 326.381 2.738 20 30 EFEDMM CC(C)(C#N)c1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000619472324 479804129 /nfs/dbraw/zinc/80/41/29/479804129.db2.gz FEUSQTFNOWFJMV-MRXNPFEDSA-N -1 1 346.394 2.520 20 30 EFEDMM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000616032690 479811997 /nfs/dbraw/zinc/81/19/97/479811997.db2.gz PWHOOMISHJRJRY-HNNXBMFYSA-N -1 1 335.407 2.610 20 30 EFEDMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619569684 479830988 /nfs/dbraw/zinc/83/09/88/479830988.db2.gz UDDGPCGEJHBRMN-UHFFFAOYSA-N -1 1 344.440 2.795 20 30 EFEDMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293056 480256658 /nfs/dbraw/zinc/25/66/58/480256658.db2.gz QRKFNPJGDPMZNE-UHFFFAOYSA-N -1 1 346.390 2.996 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccnc(N3CCCCC3)c2)c1 ZINC000614296587 480257833 /nfs/dbraw/zinc/25/78/33/480257833.db2.gz JUPISQDKVAPGBK-UHFFFAOYSA-N -1 1 336.395 2.579 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(N3CCCCC3)nc2)c1 ZINC000614296500 480258484 /nfs/dbraw/zinc/25/84/84/480258484.db2.gz BYHGYEHYSFHEBJ-UHFFFAOYSA-N -1 1 336.395 2.579 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000614301411 480259296 /nfs/dbraw/zinc/25/92/96/480259296.db2.gz LCAMGGHFASPADL-UHFFFAOYSA-N -1 1 337.335 2.977 20 30 EFEDMM COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614300832 480259422 /nfs/dbraw/zinc/25/94/22/480259422.db2.gz WKFBRGOADZNOMY-YVEFUNNKSA-N -1 1 338.363 2.544 20 30 EFEDMM CCc1ccc([C@@H]2COCCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614299402 480259598 /nfs/dbraw/zinc/25/95/98/480259598.db2.gz XETUYMIQJXCBKE-INIZCTEOSA-N -1 1 326.352 2.633 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 ZINC000614375116 480287307 /nfs/dbraw/zinc/28/73/07/480287307.db2.gz BUJSWDXNBWBYEX-UHFFFAOYSA-N -1 1 345.358 2.726 20 30 EFEDMM COc1cc2c(cc1CNC(=O)c1cc([O-])cc(C#N)c1)O[C@H](C)C2 ZINC000614374529 480287705 /nfs/dbraw/zinc/28/77/05/480287705.db2.gz PHDYXVUEABTRCR-LLVKDONJSA-N -1 1 338.363 2.526 20 30 EFEDMM Cc1noc(C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccccc2)n1 ZINC000617653050 480312472 /nfs/dbraw/zinc/31/24/72/480312472.db2.gz WXVMXERGFQGDBN-QGZVFWFLSA-N -1 1 348.362 2.669 20 30 EFEDMM C=CC[C@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000617786331 480361626 /nfs/dbraw/zinc/36/16/26/480361626.db2.gz XKOXMPQGNMOCBS-HNNXBMFYSA-N -1 1 342.443 2.799 20 30 EFEDMM C=CCCCS(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000644180085 481761078 /nfs/dbraw/zinc/76/10/78/481761078.db2.gz PEROJLBOWAUIOS-UHFFFAOYSA-N -1 1 337.441 2.583 20 30 EFEDMM CCc1nc(C#N)cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000663740265 482370541 /nfs/dbraw/zinc/37/05/41/482370541.db2.gz YGCQGJUIGJVOBD-UHFFFAOYSA-N -1 1 336.395 2.716 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1C ZINC000427122565 534719209 /nfs/dbraw/zinc/71/92/09/534719209.db2.gz CPCYSMCKHFDJHV-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000355867400 534743915 /nfs/dbraw/zinc/74/39/15/534743915.db2.gz MFOCRTYTEGCOKN-UHFFFAOYSA-N -1 1 329.381 2.512 20 30 EFEDMM C[C@H](Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000184658323 524696301 /nfs/dbraw/zinc/69/63/01/524696301.db2.gz HNRVBSAFJGTWPX-GFCCVEGCSA-N -1 1 344.392 2.622 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C#N ZINC000137233638 524806742 /nfs/dbraw/zinc/80/67/42/524806742.db2.gz ZHAXGTJQJZGHQL-UHFFFAOYSA-N -1 1 334.328 2.505 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000076937725 526194845 /nfs/dbraw/zinc/19/48/45/526194845.db2.gz JLDFGDUJFUCRMD-QFIPXVFZSA-N -1 1 348.449 2.546 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000076937142 526195440 /nfs/dbraw/zinc/19/54/40/526195440.db2.gz YGJBUMRHHNHXCR-UHFFFAOYSA-N -1 1 340.364 2.718 20 30 EFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000121042795 526531178 /nfs/dbraw/zinc/53/11/78/526531178.db2.gz DTKDUWFDMRFSFB-UHFFFAOYSA-N -1 1 339.279 2.545 20 30 EFEDMM CC(C)(C#N)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000425327583 535001656 /nfs/dbraw/zinc/00/16/56/535001656.db2.gz VSUHBWZPGIFLNI-UHFFFAOYSA-N -1 1 340.383 2.596 20 30 EFEDMM CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425310502 535002116 /nfs/dbraw/zinc/00/21/16/535002116.db2.gz XHLVGMJXILWPDR-CYBMUJFWSA-N -1 1 340.383 2.596 20 30 EFEDMM COc1ccc(NC(=O)N[C@@H]2CC[C@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000331280349 536655040 /nfs/dbraw/zinc/65/50/40/536655040.db2.gz KLEAJZFNMPEXRD-WDEREUQCSA-N -1 1 341.433 2.581 20 30 EFEDMM C=C[C@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC000677644471 548741414 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COc1cc(C(=O)[O-])ccc1N=NCc1cccc(OC)c1OC ZINC000756899113 575798529 /nfs/dbraw/zinc/79/85/29/575798529.db2.gz QNHIXOVDGNCIGN-UHFFFAOYSA-N -1 1 330.340 2.857 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(OCC#N)c1 ZINC000756901461 575798797 /nfs/dbraw/zinc/79/87/97/575798797.db2.gz QYIIBKMPHFPHEO-UHFFFAOYSA-N -1 1 325.324 2.742 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc2c(c1)OCCO2 ZINC000756901706 575798845 /nfs/dbraw/zinc/79/88/45/575798845.db2.gz XEYOPMXCUZJIIG-UHFFFAOYSA-N -1 1 328.324 2.611 20 30 EFEDMM COc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)c(OC)c1 ZINC000756900981 575798904 /nfs/dbraw/zinc/79/89/04/575798904.db2.gz FRWCMAPZSQGPMN-UHFFFAOYSA-N -1 1 330.340 2.857 20 30 EFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C(F)(F)c1c(F)cccc1F ZINC000756940320 575803691 /nfs/dbraw/zinc/80/36/91/575803691.db2.gz JWNRHBVIDUARRA-UHFFFAOYSA-N -1 1 342.174 2.832 20 30 EFEDMM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1 ZINC000757468409 575839959 /nfs/dbraw/zinc/83/99/59/575839959.db2.gz VAGRGOQADYUYGS-DAXSKMNVSA-N -1 1 328.320 2.847 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cn(-c3ccccc3)nn2)c1 ZINC000757473067 575840051 /nfs/dbraw/zinc/84/00/51/575840051.db2.gz MQWORYDZHOKFRF-VQHVLOKHSA-N -1 1 335.319 2.567 20 30 EFEDMM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1)C(=O)[O-] ZINC000757473417 575840411 /nfs/dbraw/zinc/84/04/11/575840411.db2.gz XCZLCYVFLQDWJS-UIJKISKDSA-N -1 1 328.320 2.846 20 30 EFEDMM CCc1ccc(CCC=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000758102676 575859900 /nfs/dbraw/zinc/85/99/00/575859900.db2.gz BKKICVXDSFKKOP-UHFFFAOYSA-N -1 1 341.436 2.906 20 30 EFEDMM COC(=O)[C@@H](C)Oc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000758372349 575867998 /nfs/dbraw/zinc/86/79/98/575867998.db2.gz QCVFGOXQVKWCJL-GFCCVEGCSA-N -1 1 342.351 2.771 20 30 EFEDMM COC(=O)[C@H](C)Oc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000758433271 575869599 /nfs/dbraw/zinc/86/95/99/575869599.db2.gz GGRPGWHTTJXFMZ-LHXVZLOVSA-N -1 1 342.347 2.934 20 30 EFEDMM COc1cc2c(cc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O)OCO2 ZINC000758930402 575880490 /nfs/dbraw/zinc/88/04/90/575880490.db2.gz IHGNPYSETIULII-RQOWECAXSA-N -1 1 342.303 2.724 20 30 EFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cncnc1 ZINC000761092918 576112520 /nfs/dbraw/zinc/11/25/20/576112520.db2.gz JUHWOIRIYDQGHW-GFCCVEGCSA-N -1 1 335.150 2.745 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(F)ccc2Br)n1 ZINC000761248776 576135593 /nfs/dbraw/zinc/13/55/93/576135593.db2.gz GMCZYHIBADVPET-UHFFFAOYSA-N -1 1 325.141 2.838 20 30 EFEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]nc1C1CC1 ZINC000762575116 576314377 /nfs/dbraw/zinc/31/43/77/576314377.db2.gz GBXSEHCDIGRVBS-UHFFFAOYSA-N -1 1 336.804 2.921 20 30 EFEDMM Cc1cc(=O)[n-]c(N=NC(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000763105822 576361815 /nfs/dbraw/zinc/36/18/15/576361815.db2.gz TUXVGNVOWNALEF-UHFFFAOYSA-N -1 1 327.344 2.819 20 30 EFEDMM CC(N=Nc1ccccc1S(C)(=O)=O)c1cccc(C(=O)[O-])c1 ZINC000764692119 576489145 /nfs/dbraw/zinc/48/91/45/576489145.db2.gz JNJBNTUUQFAARU-UHFFFAOYSA-N -1 1 332.381 2.624 20 30 EFEDMM Cc1cccc(C)c1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000765224844 577020665 /nfs/dbraw/zinc/02/06/65/577020665.db2.gz MGICJJSKBIJXQJ-UHFFFAOYSA-N -1 1 336.363 2.932 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNC(=S)Nc3ccccc3)n[nH]c2c1 ZINC000765552014 577053604 /nfs/dbraw/zinc/05/36/04/577053604.db2.gz CDEDCLTUDPQYRG-UHFFFAOYSA-N -1 1 339.380 2.582 20 30 EFEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@H](C)CCC#N ZINC000766001652 577097387 /nfs/dbraw/zinc/09/73/87/577097387.db2.gz GIIPIEZIMNSTDO-SNVBAGLBSA-N -1 1 347.400 2.797 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(Sc2ccccc2)cc1 ZINC000766473326 577155497 /nfs/dbraw/zinc/15/54/97/577155497.db2.gz CEUYKYQRMTWHEV-UHFFFAOYSA-N -1 1 340.433 2.960 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=CCCc1c(Cl)cccc1Cl ZINC000766474515 577155839 /nfs/dbraw/zinc/15/58/39/577155839.db2.gz NPEJNAMDCOPTBA-UHFFFAOYSA-N -1 1 329.212 2.701 20 30 EFEDMM Cc1ccc(-c2ccc(C=Nn3c(=O)cn[n-]c3=S)s2)cc1 ZINC000766475755 577155870 /nfs/dbraw/zinc/15/58/70/577155870.db2.gz YWOXGBKTRMSQIS-UHFFFAOYSA-N -1 1 328.422 2.846 20 30 EFEDMM N#Cc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000768307476 577265475 /nfs/dbraw/zinc/26/54/75/577265475.db2.gz XYPWVJMZNBVYNG-UHFFFAOYSA-N -1 1 341.348 2.515 20 30 EFEDMM Oc1c(F)cc(Cl)cc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000768353138 577268010 /nfs/dbraw/zinc/26/80/10/577268010.db2.gz ULWYDWDURARUFD-UHFFFAOYSA-N -1 1 340.689 2.966 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc([O-])c(F)c3)CCO2)c1 ZINC000768359705 577268402 /nfs/dbraw/zinc/26/84/02/577268402.db2.gz KCVMEVKAIYDTDC-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1c(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn2ccccc12 ZINC000769045366 577327404 /nfs/dbraw/zinc/32/74/04/577327404.db2.gz BGIZYOCEGLKMBL-UHFFFAOYSA-N -1 1 337.291 2.782 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)c1 ZINC000726736091 577381850 /nfs/dbraw/zinc/38/18/50/577381850.db2.gz BSXAIBWSMCDUPC-FZMZJTMJSA-N -1 1 349.456 2.556 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000726736094 577381865 /nfs/dbraw/zinc/38/18/65/577381865.db2.gz BSXAIBWSMCDUPC-SMDDNHRTSA-N -1 1 349.456 2.556 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2ccccc2C)c1 ZINC000726736799 577382069 /nfs/dbraw/zinc/38/20/69/577382069.db2.gz UMRKQXDLGIZOHR-UHFFFAOYSA-N -1 1 343.408 2.808 20 30 EFEDMM COc1c([O-])c(C=NN=c2[nH]c3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000772997412 581386642 /nfs/dbraw/zinc/38/66/42/581386642.db2.gz LUCDNRKALRVFQU-UHFFFAOYSA-N -1 1 327.300 2.631 20 30 EFEDMM COc1c([O-])c(C=NNCCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000773067911 581392974 /nfs/dbraw/zinc/39/29/74/581392974.db2.gz KLOXKRUFWFSFDP-UHFFFAOYSA-N -1 1 333.319 2.614 20 30 EFEDMM COC(=O)c1cccc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000773078979 581394329 /nfs/dbraw/zinc/39/43/29/581394329.db2.gz KHCVMAZPXKNOPV-UHFFFAOYSA-N -1 1 345.311 2.542 20 30 EFEDMM CC(C)S(=O)(=O)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774587038 581494772 /nfs/dbraw/zinc/49/47/72/581494772.db2.gz NERCWZUIFJGVFZ-UHFFFAOYSA-N -1 1 326.805 2.861 20 30 EFEDMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000774616200 581495277 /nfs/dbraw/zinc/49/52/77/581495277.db2.gz XQQISBIERPAAIN-UHFFFAOYSA-N -1 1 332.381 2.536 20 30 EFEDMM C[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736136880 598936207 /nfs/dbraw/zinc/93/62/07/598936207.db2.gz HWWXRXTUZQBXML-NSHDSACASA-N -1 1 342.366 2.855 20 30 EFEDMM C[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736136880 598936209 /nfs/dbraw/zinc/93/62/09/598936209.db2.gz HWWXRXTUZQBXML-NSHDSACASA-N -1 1 342.366 2.855 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C#N)C2CCCCC2)n1 ZINC000737472281 599013088 /nfs/dbraw/zinc/01/30/88/599013088.db2.gz YMWCXAQKVSHKBE-LBPRGKRZSA-N -1 1 329.433 2.838 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2Cc2ccccc2)o1 ZINC000737468079 599285900 /nfs/dbraw/zinc/28/59/00/599285900.db2.gz YCASDOOPZSYCKU-CYBMUJFWSA-N -1 1 337.387 2.974 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(OCC(C)C)cc2)o1 ZINC000737466737 598393379 /nfs/dbraw/zinc/39/33/79/598393379.db2.gz BPSNVOWRBSXWGN-UHFFFAOYSA-N -1 1 341.375 2.644 20 30 EFEDMM C#CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735382240 598411412 /nfs/dbraw/zinc/41/14/12/598411412.db2.gz WLMQASXBXHVWHA-UHFFFAOYSA-N -1 1 338.298 2.588 20 30 EFEDMM C#CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735382240 598411413 /nfs/dbraw/zinc/41/14/13/598411413.db2.gz WLMQASXBXHVWHA-UHFFFAOYSA-N -1 1 338.298 2.588 20 30 EFEDMM N#Cc1cccc(OC2CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000739134098 599795279 /nfs/dbraw/zinc/79/52/79/599795279.db2.gz VNEDXHRFZBEWDB-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3occc3C(=O)[O-])CC2)cc1 ZINC000739128714 600103918 /nfs/dbraw/zinc/10/39/18/600103918.db2.gz JDPSAGQSYCLWME-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM N#Cc1ccc(-c2ccn(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)n2)cc1 ZINC000739101162 600279076 /nfs/dbraw/zinc/27/90/76/600279076.db2.gz CIFCGOKQSGIKME-MRXNPFEDSA-N -1 1 336.395 2.566 20 30 EFEDMM C=CCn1c(C)cc(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C ZINC000736116916 600298148 /nfs/dbraw/zinc/29/81/48/600298148.db2.gz FACYGRQFOBCECF-MRXNPFEDSA-N -1 1 330.428 2.660 20 30 EFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000739106124 600561884 /nfs/dbraw/zinc/56/18/84/600561884.db2.gz PZPOABQXFSXFKT-GOSISDBHSA-N -1 1 339.370 2.645 20 30 EFEDMM N#Cc1ccc([C@H](NCc2cnn(-c3ccccc3)c2)C(=O)[O-])cc1 ZINC000739105830 600592576 /nfs/dbraw/zinc/59/25/76/600592576.db2.gz JFRCIGQKHDJOIX-SFHVURJKSA-N -1 1 332.363 2.659 20 30 EFEDMM CCCCN1C(=O)N=NC1S[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737009097 600936164 /nfs/dbraw/zinc/93/61/64/600936164.db2.gz NWEFLJILZZYNBU-LBPRGKRZSA-N -1 1 332.385 2.573 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)[nH]c21 ZINC000832975569 601240173 /nfs/dbraw/zinc/24/01/73/601240173.db2.gz DGRMMNZLSOCXBN-FRRDWIJNSA-N -1 1 325.368 2.939 20 30 EFEDMM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000827055012 601300502 /nfs/dbraw/zinc/30/05/02/601300502.db2.gz VFTNZANHGQYMGW-QGZVFWFLSA-N -1 1 325.368 2.656 20 30 EFEDMM CCC[C@](C)(NCC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000829193957 601306397 /nfs/dbraw/zinc/30/63/97/601306397.db2.gz PGFRTZGQNPOWRL-IBGZPJMESA-N -1 1 345.443 2.783 20 30 EFEDMM C=CCSc1nc2ccccc2n1CN1CC[C@](F)(C(=O)[O-])C1 ZINC000825702116 601370844 /nfs/dbraw/zinc/37/08/44/601370844.db2.gz FCXVDSYUGYWJRW-MRXNPFEDSA-N -1 1 335.404 2.771 20 30 EFEDMM N#Cc1ccc(-c2ccn(CN3CCC(CCC(=O)[O-])CC3)n2)cc1 ZINC000833070356 601798193 /nfs/dbraw/zinc/79/81/93/601798193.db2.gz AQGPUXUDHUSLHG-UHFFFAOYSA-N -1 1 338.411 2.956 20 30 EFEDMM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1[C@H](C)CC[C@H]1C ZINC000833604214 604583092 /nfs/dbraw/zinc/58/30/92/604583092.db2.gz RFRRMKQTVXHQCM-JHJVBQTASA-N -1 1 330.384 2.561 20 30 EFEDMM Cc1oc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cc1C(=O)[O-] ZINC000833029762 604633924 /nfs/dbraw/zinc/63/39/24/604633924.db2.gz LYAAQPCGHJRMPJ-UHFFFAOYSA-N -1 1 340.744 2.612 20 30 EFEDMM CC[C@@H](C#N)Oc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1OC ZINC000833636005 605095040 /nfs/dbraw/zinc/09/50/40/605095040.db2.gz DHYCZSBLSFFSCT-ZDUSSCGKSA-N -1 1 344.367 2.957 20 30 EFEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833376506 605321441 /nfs/dbraw/zinc/32/14/41/605321441.db2.gz XROJRHGWHJWIBI-OAHLLOKOSA-N -1 1 332.356 2.730 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000822922012 606387935 /nfs/dbraw/zinc/38/79/35/606387935.db2.gz BUYNJFUMDUSTOV-ALCCZGGFSA-N -1 1 327.325 2.733 20 30 EFEDMM COCc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826164906 608093473 /nfs/dbraw/zinc/09/34/73/608093473.db2.gz WOIRPNZZRLMYGD-WAYWQWQTSA-N -1 1 326.381 2.971 20 30 EFEDMM COCc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826164906 608093474 /nfs/dbraw/zinc/09/34/74/608093474.db2.gz WOIRPNZZRLMYGD-WAYWQWQTSA-N -1 1 326.381 2.971 20 30 EFEDMM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000823962630 608094623 /nfs/dbraw/zinc/09/46/23/608094623.db2.gz NQEREFGIINHQQW-UHFFFAOYSA-N -1 1 342.388 2.747 20 30 EFEDMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001364787047 1261749780 /nfs/dbraw/zinc/74/97/80/1261749780.db2.gz XYGZVDCOOISBRE-MRVPVSSYSA-N -1 1 349.225 2.927 20 30 EFEDMM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc([N+](=O)[O-])c1O ZINC000730590376 1264387311 /nfs/dbraw/zinc/38/73/11/1264387311.db2.gz RAUZIRAUPCRORE-IHWYPQMZSA-N -1 1 349.320 2.965 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079330 1266555062 /nfs/dbraw/zinc/55/50/62/1266555062.db2.gz XMKATCUWRTUSOT-GJZGRUSLSA-N -1 1 345.443 2.500 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)=O)cs2)c1 ZINC000741111403 1269310315 /nfs/dbraw/zinc/31/03/15/1269310315.db2.gz MXTUENYAFKIOML-AWEZNQCLSA-N -1 1 342.376 2.920 20 30 EFEDMM O=c1nc(N=NC2CCC[C@H]2c2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC000741464689 1269540171 /nfs/dbraw/zinc/54/01/71/1269540171.db2.gz SGMKYLYUQFEHFF-NSHDSACASA-N -1 1 342.790 2.821 20 30 EFEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NO)c2)cc1 ZINC000742823969 1270251283 /nfs/dbraw/zinc/25/12/83/1270251283.db2.gz JFZYDGSJHMSGBN-UHFFFAOYSA-N -1 1 348.424 2.949 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429667 1270340399 /nfs/dbraw/zinc/34/03/99/1270340399.db2.gz SFBVMTDFGVHFQZ-GJZGRUSLSA-N -1 1 345.443 2.500 20 30 EFEDMM CON=Cc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1 ZINC000744456409 1271054610 /nfs/dbraw/zinc/05/46/10/1271054610.db2.gz WQXMCYPYDGRYPP-UHFFFAOYSA-N -1 1 341.363 2.975 20 30 EFEDMM N=C(c1nonc1N)N([O-])C(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC001143625916 1278621886 /nfs/dbraw/zinc/62/18/86/1278621886.db2.gz ZPQAHEPBGZQCAG-ZDUSSCGKSA-N -1 1 343.387 2.559 20 30 EFEDMM C[C@H](C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1)NC(=O)OC(C)(C)C ZINC000843933784 1278685777 /nfs/dbraw/zinc/68/57/77/1278685777.db2.gz GQRJWMMDACGMOA-VXGBXAGGSA-N -1 1 347.415 2.685 20 30 EFEDMM Cc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)nn1-c1ccccc1 ZINC001129116520 1273841084 /nfs/dbraw/zinc/84/10/84/1273841084.db2.gz CVCYHLWRVPIUHN-UHFFFAOYSA-N -1 1 339.305 2.978 20 30 EFEDMM C#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000785511190 1275117818 /nfs/dbraw/zinc/11/78/18/1275117818.db2.gz LHOLCUPCTOJGOT-UHFFFAOYSA-N -1 1 343.404 2.894 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC000786886536 1275584508 /nfs/dbraw/zinc/58/45/08/1275584508.db2.gz JFTLZHDYCCCIRN-UHFFFAOYSA-N -1 1 337.788 2.725 20 30 EFEDMM N#Cc1cccc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000787955080 1275984264 /nfs/dbraw/zinc/98/42/64/1275984264.db2.gz JEJVDQQFWSWKJM-UHFFFAOYSA-N -1 1 337.310 2.946 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)C1CCC(F)(F)CC1 ZINC000788712006 1276272981 /nfs/dbraw/zinc/27/29/81/1276272981.db2.gz LAGMQDHHPUANSD-UHFFFAOYSA-N -1 1 341.383 2.927 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2c(F)cccc2OC(F)(F)F)n1 ZINC000788929370 1276385700 /nfs/dbraw/zinc/38/57/00/1276385700.db2.gz UJQPXQLEJRQZIB-UHFFFAOYSA-N -1 1 330.241 2.974 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc(-c3ccco3)s2)c(=O)o1 ZINC000789126157 1276520990 /nfs/dbraw/zinc/52/09/90/1276520990.db2.gz CRSSDOCWXSZCST-NNTXTVRGSA-N -1 1 329.333 2.631 20 30 EFEDMM [O-]c1ccc(Cl)c(F)c1C=NN1C(=S)N=NC1[C@@H]1CCCO1 ZINC000790149972 1277327416 /nfs/dbraw/zinc/32/74/16/1277327416.db2.gz RNZIYIHDUIEKAN-JTQLQIEISA-N -1 1 342.783 2.799 20 30 EFEDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1F ZINC000585128467 1277458765 /nfs/dbraw/zinc/45/87/65/1277458765.db2.gz BWADQKBMZULABO-UHFFFAOYSA-N -1 1 336.392 2.892 20 30 EFEDMM CCOC(=O)[C@H](C#N)[N-]c1c(F)c(Br)ccc1OCC ZINC001170369894 1279043474 /nfs/dbraw/zinc/04/34/74/1279043474.db2.gz RIUQWDPUBGFRGZ-VIFPVBQESA-N -1 1 345.168 2.854 20 30 EFEDMM CC(=NNC(=S)NC1CC1)c1ccc([O-])c(Br)c1 ZINC000844565383 1279091464 /nfs/dbraw/zinc/09/14/64/1279091464.db2.gz GCJYZCOHLRPVQZ-UHFFFAOYSA-N -1 1 328.235 2.505 20 30 EFEDMM N#Cc1cccc(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)c1 ZINC001144560909 1279825100 /nfs/dbraw/zinc/82/51/00/1279825100.db2.gz BSPQSJCURKJOJO-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM N#Cc1cccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)c1 ZINC001144680128 1279994801 /nfs/dbraw/zinc/99/48/01/1279994801.db2.gz JTOMWDXNFIOTKH-UHFFFAOYSA-N -1 1 327.409 2.640 20 30 EFEDMM CN1CCN(c2ccc(Nc3cccc(C(=O)[O-])c3)cc2C#N)CC1 ZINC001175329552 1287404280 /nfs/dbraw/zinc/40/42/80/1287404280.db2.gz OGPXRYKHVKYSFW-UHFFFAOYSA-N -1 1 336.395 2.752 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC3(CCC3)Oc3ccccc32)o1 ZINC000805032657 1280425599 /nfs/dbraw/zinc/42/55/99/1280425599.db2.gz SRMMFNFXXIYQKH-AWEZNQCLSA-N -1 1 344.392 2.876 20 30 EFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)C ZINC000805088808 1280448743 /nfs/dbraw/zinc/44/87/43/1280448743.db2.gz HIOGRZQHUPIQQB-SNVBAGLBSA-N -1 1 339.310 2.660 20 30 EFEDMM COC(=O)CCCCCCCC(=O)N([O-])C(=N)c1ccccc1N ZINC001144951455 1280525660 /nfs/dbraw/zinc/52/56/60/1280525660.db2.gz CVJGCAYYVKZMEK-UHFFFAOYSA-N -1 1 335.404 2.716 20 30 EFEDMM Cc1cc(=O)oc2cc(N(C)C(=O)c3cc([O-])cc(C#N)c3)ccc12 ZINC000805353595 1280526628 /nfs/dbraw/zinc/52/66/28/1280526628.db2.gz WGZJVYBRBFBXHF-UHFFFAOYSA-N -1 1 334.331 2.955 20 30 EFEDMM Cn1[n-]cc2c(=NC(=O)N[C@H](CCC#N)c3ccccc3)ccnc1-2 ZINC000806485725 1281078514 /nfs/dbraw/zinc/07/85/14/1281078514.db2.gz APQYDJVMMGFEID-OAHLLOKOSA-N -1 1 334.383 2.508 20 30 EFEDMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc2)[n-]1 ZINC001148341024 1281504419 /nfs/dbraw/zinc/50/44/19/1281504419.db2.gz VCDYMSCIGYWGHS-GOSISDBHSA-N -1 1 326.400 2.857 20 30 EFEDMM C[C@@]1(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)CCS(=O)(=O)C1 ZINC001170556949 1281778646 /nfs/dbraw/zinc/77/86/46/1281778646.db2.gz HKKXUZFPWNCOOS-KOSUEXCASA-N -1 1 336.335 2.503 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1c(Cl)ccc(Cl)c1Cl ZINC000585658439 1281890535 /nfs/dbraw/zinc/89/05/35/1281890535.db2.gz NQMAUYUKFZZCCQ-UHFFFAOYSA-N -1 1 335.603 2.769 20 30 EFEDMM CC1(C)CC(=NNc2nc3[nH][n-]cc-3c(=O)n2)c2ccccc2S1 ZINC000872350510 1287548033 /nfs/dbraw/zinc/54/80/33/1287548033.db2.gz UIIXBGUILMKGAE-UHFFFAOYSA-N -1 1 340.412 2.523 20 30 EFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN[C@@H]2CCSC2)cs1 ZINC000872374526 1287556298 /nfs/dbraw/zinc/55/62/98/1287556298.db2.gz ZIFUCVOGTWWSGM-SECBINFHSA-N -1 1 328.463 2.919 20 30 EFEDMM C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809734421 1282412809 /nfs/dbraw/zinc/41/28/09/1282412809.db2.gz GKLDJRJBKFVUDG-ZDUSSCGKSA-N -1 1 338.363 2.516 20 30 EFEDMM C#CCO[N-]C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000812784162 1285416864 /nfs/dbraw/zinc/41/68/64/1285416864.db2.gz YRTOOVDRNMIKRT-CQSZACIVSA-N -1 1 328.334 2.769 20 30 EFEDMM CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000813060112 1285622142 /nfs/dbraw/zinc/62/21/42/1285622142.db2.gz PTCMHTYISDUSGU-JTQLQIEISA-N -1 1 345.790 2.648 20 30 EFEDMM CC(C)(C)n1cnc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000813060113 1285622316 /nfs/dbraw/zinc/62/23/16/1285622316.db2.gz PTCMHTYISDUSGU-SNVBAGLBSA-N -1 1 345.790 2.648 20 30 EFEDMM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000814286078 1286478941 /nfs/dbraw/zinc/47/89/41/1286478941.db2.gz XMZOZRFFVFLOAI-CQSZACIVSA-N -1 1 340.326 2.982 20 30 EFEDMM CCOC(=O)n1nc2c(c1Nc1cccc(/C=N/[O-])c1)CNC2(C)C ZINC001170760778 1286953965 /nfs/dbraw/zinc/95/39/65/1286953965.db2.gz JCXDDJSECLSRRF-DJKKODMXSA-N -1 1 343.387 2.778 20 30 EFEDMM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cccc([O-])c2Cl)C1=O ZINC000814744878 1286987681 /nfs/dbraw/zinc/98/76/81/1286987681.db2.gz BOHQOZIUBNRJRE-KRWDZBQOSA-N -1 1 343.770 2.847 20 30 EFEDMM O=S(=O)(CCc1ccccc1)NN=Cc1cccc([O-])c1Cl ZINC000814859891 1287103945 /nfs/dbraw/zinc/10/39/45/1287103945.db2.gz FUCJJQKXMXXALM-UHFFFAOYSA-N -1 1 338.816 2.542 20 30 EFEDMM C=CCCC(CCC)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814864343 1287106486 /nfs/dbraw/zinc/10/64/86/1287106486.db2.gz APXKDQXSUWRPLI-UHFFFAOYSA-N -1 1 325.390 2.995 20 30 EFEDMM COC(=O)c1c[n-]c(SCC[C@](C#N)(C(C)=O)c2ccccc2)n1 ZINC000871668116 1287199614 /nfs/dbraw/zinc/19/96/14/1287199614.db2.gz USOFXVIQUFOFMI-KRWDZBQOSA-N -1 1 343.408 2.729 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(C(C)=O)c2)c1 ZINC000815907337 1287877120 /nfs/dbraw/zinc/87/71/20/1287877120.db2.gz YNBSXXOQKNCBOI-CQSZACIVSA-N -1 1 342.376 2.920 20 30 EFEDMM Cc1cc(C#N)cnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000816495582 1288162993 /nfs/dbraw/zinc/16/29/93/1288162993.db2.gz BAWFMBBBMCOSHK-UHFFFAOYSA-N -1 1 346.184 2.660 20 30 EFEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3c([O-])cccc3Cl)C2)nc1 ZINC000816836245 1288282099 /nfs/dbraw/zinc/28/20/99/1288282099.db2.gz KDKBBTRAAQPQAM-LBPRGKRZSA-N -1 1 343.770 2.606 20 30 EFEDMM N#Cc1ccc(Oc2ccc(NC(=O)CCCc3nn[n-]n3)cc2)cc1 ZINC001136454922 1288726242 /nfs/dbraw/zinc/72/62/42/1288726242.db2.gz OVMKXIFYJDMDDQ-UHFFFAOYSA-N -1 1 348.366 2.825 20 30 EFEDMM Cc1[nH]nc(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c1[O-] ZINC001136450015 1288731453 /nfs/dbraw/zinc/73/14/53/1288731453.db2.gz DRRPHTSETXXBKI-UHFFFAOYSA-N -1 1 335.323 2.735 20 30 EFEDMM C=CCCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000823693252 1289413494 /nfs/dbraw/zinc/41/34/94/1289413494.db2.gz DSXUPYXEPICNQB-UHFFFAOYSA-N -1 1 329.322 2.871 20 30 EFEDMM N#C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000823891291 1289487022 /nfs/dbraw/zinc/48/70/22/1289487022.db2.gz NOLNYRRNRROXFR-GXSJLCMTSA-N -1 1 338.205 2.646 20 30 EFEDMM CCCOc1ccc([C@H](O)C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001180840544 1289637523 /nfs/dbraw/zinc/63/75/23/1289637523.db2.gz VUPGIKPEEGFOOQ-KRWDZBQOSA-N -1 1 326.352 2.725 20 30 EFEDMM CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001181237373 1289755769 /nfs/dbraw/zinc/75/57/69/1289755769.db2.gz ULJIPTXWPLKHGB-ZDUSSCGKSA-N -1 1 347.415 2.999 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)C1CN(c2ccc(Cl)cc2)C1 ZINC001181536230 1289833906 /nfs/dbraw/zinc/83/39/06/1289833906.db2.gz ANQZYRIZUTYIMQ-UHFFFAOYSA-N -1 1 344.802 2.602 20 30 EFEDMM CC(C)(C)OC(=O)N1CC(N(Cc2cc(C#N)ccc2[O-])C2CC2)C1 ZINC001232678866 1312759888 /nfs/dbraw/zinc/75/98/88/1312759888.db2.gz RVVXQNHKMBRODS-UHFFFAOYSA-N -1 1 343.427 2.848 20 30 EFEDMM CC(=O)c1ccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)cc1 ZINC001232679430 1312760019 /nfs/dbraw/zinc/76/00/19/1312760019.db2.gz KOYXUASWDWSMJI-UHFFFAOYSA-N -1 1 335.407 2.789 20 30 EFEDMM COc1ccc(C2(C(=O)Nc3ccc(C#N)cc3[O-])CC2)c(OC)c1 ZINC001184141406 1290423993 /nfs/dbraw/zinc/42/39/93/1290423993.db2.gz KOAJSWKRKGMLQD-UHFFFAOYSA-N -1 1 338.363 2.951 20 30 EFEDMM COc1nccc(F)c1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001185545089 1290717067 /nfs/dbraw/zinc/71/70/67/1290717067.db2.gz SUYAAEQCWCNVIF-UHFFFAOYSA-N -1 1 349.325 2.810 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3nsnc3c2)ccc1F ZINC001186261405 1290915613 /nfs/dbraw/zinc/91/56/13/1290915613.db2.gz OMLXHDFBHLFUNT-UHFFFAOYSA-N -1 1 334.357 2.503 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3cc(Cl)ncc3[O-])CC2)c(F)c1 ZINC001233037487 1312839075 /nfs/dbraw/zinc/83/90/75/1312839075.db2.gz BOZVRYKQDUAKAD-UHFFFAOYSA-N -1 1 346.793 2.774 20 30 EFEDMM C=CCOc1ccccc1[C@H](C)NC(=O)c1n[n-]nc1C(F)(F)F ZINC001187773414 1291221886 /nfs/dbraw/zinc/22/18/86/1291221886.db2.gz GADIUKCFNMQLHE-VIFPVBQESA-N -1 1 340.305 2.879 20 30 EFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc[nH]1 ZINC001188566250 1291410125 /nfs/dbraw/zinc/41/01/25/1291410125.db2.gz WUYIQUGLCGPFMK-GIJQJNRQSA-N -1 1 339.380 2.802 20 30 EFEDMM N#Cc1cc(F)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189686559 1291800915 /nfs/dbraw/zinc/80/09/15/1291800915.db2.gz IXBPOSOZXZIRIU-UHFFFAOYSA-N -1 1 326.299 2.917 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(F)c1 ZINC001189686870 1291802479 /nfs/dbraw/zinc/80/24/79/1291802479.db2.gz LVGUDPLBMJAWOO-UHFFFAOYSA-N -1 1 326.299 2.917 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1csc(-c2ccncc2)n1 ZINC001190341473 1292123584 /nfs/dbraw/zinc/12/35/84/1292123584.db2.gz JZJNKCVNPFBOHQ-UHFFFAOYSA-N -1 1 339.380 2.644 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765411 1292263239 /nfs/dbraw/zinc/26/32/39/1292263239.db2.gz DLYSTQACJFIMNZ-IAQYHMDHSA-N -1 1 325.334 2.762 20 30 EFEDMM C=CCC1(S(=O)(=O)[N-]c2cc(Cl)ncc2C(=O)OCC)CC1 ZINC001190773048 1292308355 /nfs/dbraw/zinc/30/83/55/1292308355.db2.gz PGGHJIMNKWTCIL-UHFFFAOYSA-N -1 1 344.820 2.762 20 30 EFEDMM N#Cc1ccc(CN2Cc3cc(Br)cnc3C2)c([O-])c1 ZINC001233387050 1312920250 /nfs/dbraw/zinc/92/02/50/1312920250.db2.gz RURMUUQLSCXUCD-UHFFFAOYSA-N -1 1 330.185 2.937 20 30 EFEDMM CC(=O)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC001190989121 1292414631 /nfs/dbraw/zinc/41/46/31/1292414631.db2.gz UXQZKGIJOWCVJQ-INIZCTEOSA-N -1 1 348.811 2.820 20 30 EFEDMM COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001192199853 1292817026 /nfs/dbraw/zinc/81/70/26/1292817026.db2.gz NGDGIBXHEKIPLW-LSDHHAIUSA-N -1 1 336.347 2.793 20 30 EFEDMM COc1cc(Br)c([O-])c(NC(=O)c2ccc(C#N)o2)c1 ZINC001192682664 1292985419 /nfs/dbraw/zinc/98/54/19/1292985419.db2.gz JEQUIDLVDNFKSI-UHFFFAOYSA-N -1 1 337.129 2.880 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2cc(Br)cnc2c1 ZINC001193097767 1293166818 /nfs/dbraw/zinc/16/68/18/1293166818.db2.gz RUSUSBQGUHKWKK-QMMMGPOBSA-N -1 1 340.202 2.651 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccnn1-c1cccc(C(F)(F)F)c1 ZINC001193111622 1293174042 /nfs/dbraw/zinc/17/40/42/1293174042.db2.gz JICDVWLRESSIOS-VIFPVBQESA-N -1 1 344.318 2.545 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001193150821 1293187470 /nfs/dbraw/zinc/18/74/70/1293187470.db2.gz JPYPTOYQPXVJPO-SNVBAGLBSA-N -1 1 325.390 2.687 20 30 EFEDMM CSc1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1Br ZINC001193157853 1293189175 /nfs/dbraw/zinc/18/91/75/1293189175.db2.gz IYFJVHHXEKAWGL-SSDOTTSWSA-N -1 1 335.248 2.825 20 30 EFEDMM CCOc1cc([N-]S(=O)(=O)[C@@H](C)C#N)ccc1Br ZINC001193160937 1293190368 /nfs/dbraw/zinc/19/03/68/1293190368.db2.gz KVAYWNKZYJYPRY-QMMMGPOBSA-N -1 1 333.207 2.502 20 30 EFEDMM N#Cc1ccccc1OCCCNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247381 1293213734 /nfs/dbraw/zinc/21/37/34/1293213734.db2.gz WTKAKBRZWKSVFC-UHFFFAOYSA-N -1 1 346.770 2.822 20 30 EFEDMM CCOC(=O)C[C@@H](Oc1ccc(/C=N/[O-])cc1OC)C(F)(F)F ZINC001233800464 1312995305 /nfs/dbraw/zinc/99/53/05/1312995305.db2.gz QRUVNPAWOUAQET-VGTRTNLYSA-N -1 1 335.278 2.766 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)Cc2noc3ccccc23)ccc1C#N ZINC001194099112 1293532039 /nfs/dbraw/zinc/53/20/39/1293532039.db2.gz JBPCRNISCYZOKL-UHFFFAOYSA-N -1 1 327.365 2.950 20 30 EFEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)Cc2noc3ccccc23)c1 ZINC001194105050 1293533019 /nfs/dbraw/zinc/53/30/19/1293533019.db2.gz SNTHHSMMXCRFQF-UHFFFAOYSA-N -1 1 327.365 2.950 20 30 EFEDMM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)cc([O-])cc1F ZINC001273671605 1293542119 /nfs/dbraw/zinc/54/21/19/1293542119.db2.gz LBPHJWYUAZPHEB-IAGOWNOFSA-N -1 1 349.381 2.539 20 30 EFEDMM N#CCCCN1CC[C@@]2(CCCN2Cc2cc(F)c([O-])cc2F)C1=O ZINC001273679709 1293674635 /nfs/dbraw/zinc/67/46/35/1293674635.db2.gz OKLNSVFYLYFFCG-SFHVURJKSA-N -1 1 349.381 2.541 20 30 EFEDMM C#C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195443815 1293920486 /nfs/dbraw/zinc/92/04/86/1293920486.db2.gz QGBFQWHVYVDRBS-ZCFIWIBFSA-N -1 1 340.601 2.542 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000134447735 1294134293 /nfs/dbraw/zinc/13/42/93/1294134293.db2.gz BFBIFFRSAJIVKT-UHFFFAOYSA-N -1 1 328.393 2.736 20 30 EFEDMM CN(C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)c1nccnc1N ZINC001196309624 1294186069 /nfs/dbraw/zinc/18/60/69/1294186069.db2.gz ZOLOWKWFTKUVTK-UHFFFAOYSA-N -1 1 345.362 2.580 20 30 EFEDMM Cc1c(Br)ccnc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001196273810 1294188154 /nfs/dbraw/zinc/18/81/54/1294188154.db2.gz SPHNMGQEXMBIEA-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330646 1294198868 /nfs/dbraw/zinc/19/88/68/1294198868.db2.gz YNEPSUNEAOIBQY-ZWKOTPCHSA-N -1 1 336.391 2.820 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(O)cc(F)cc1F ZINC001196679878 1294314519 /nfs/dbraw/zinc/31/45/19/1294314519.db2.gz PHOLNNHTMAVHKS-UHFFFAOYSA-N -1 1 344.726 2.996 20 30 EFEDMM Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)n1 ZINC001196702390 1294334354 /nfs/dbraw/zinc/33/43/54/1294334354.db2.gz ZHQBUBGKKYBHEF-UHFFFAOYSA-N -1 1 339.779 2.533 20 30 EFEDMM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)c1 ZINC001196762975 1294350493 /nfs/dbraw/zinc/35/04/93/1294350493.db2.gz KKLPSAVCNLFZTJ-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cnn(Cc3ccc(F)cc3)c2)c([O-])c1 ZINC001197456658 1294571878 /nfs/dbraw/zinc/57/18/78/1294571878.db2.gz ZTXIRQOFAWAKCO-UHFFFAOYSA-N -1 1 336.326 2.900 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cn2)c([O-])c1 ZINC001197654498 1294647817 /nfs/dbraw/zinc/64/78/17/1294647817.db2.gz XWDZRQCOIDPHHY-UHFFFAOYSA-N -1 1 337.257 2.852 20 30 EFEDMM N#Cc1n[nH]cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197704356 1294678109 /nfs/dbraw/zinc/67/81/09/1294678109.db2.gz BTDGIBWXWCETEQ-UHFFFAOYSA-N -1 1 334.335 2.818 20 30 EFEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1F ZINC001198155976 1294915763 /nfs/dbraw/zinc/91/57/63/1294915763.db2.gz VQEGQOPYHGUREJ-UHFFFAOYSA-N -1 1 327.340 2.551 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H](C#N)c1ccccc1 ZINC001234559722 1313156707 /nfs/dbraw/zinc/15/67/07/1313156707.db2.gz GUSHYFHOSSEHKM-LBPRGKRZSA-N -1 1 327.340 2.736 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H](C#N)c1cccc(F)c1 ZINC001234558400 1313156872 /nfs/dbraw/zinc/15/68/72/1313156872.db2.gz VETDHKXMPKQTKE-LBPRGKRZSA-N -1 1 345.330 2.875 20 30 EFEDMM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2c(C(N)=O)nc(C(C)C)[n-]c2=O)O1 ZINC001234566222 1313159739 /nfs/dbraw/zinc/15/97/39/1313159739.db2.gz VKTACNVTBCUVIU-BBATYDOGSA-N -1 1 349.431 2.686 20 30 EFEDMM CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606990 1313166892 /nfs/dbraw/zinc/16/68/92/1313166892.db2.gz UTAOONTVYSPCDW-ZDUSSCGKSA-N -1 1 329.327 2.922 20 30 EFEDMM [O-]N=Cc1ccccc1OC1CCN(c2ccc(Cl)nn2)CC1 ZINC001234823162 1313194755 /nfs/dbraw/zinc/19/47/55/1313194755.db2.gz RLOFGQVURREYHL-UHFFFAOYSA-N -1 1 332.791 2.986 20 30 EFEDMM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Oc1ccccc1C=N[O-])CO2 ZINC001234823667 1313194520 /nfs/dbraw/zinc/19/45/20/1313194520.db2.gz WROAHNNITQSACA-CQSZACIVSA-N -1 1 348.399 2.652 20 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Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2OCCO2)cc1C#N ZINC001201323947 1296729261 /nfs/dbraw/zinc/72/92/61/1296729261.db2.gz SAIUHLKXJHHFRR-UHFFFAOYSA-N -1 1 344.392 2.713 20 30 EFEDMM Cc1cc(=O)[n-]c(N=NC2CN(Cc3ccccc3)CC[C@@H]2C)n1 ZINC000776177186 1296817208 /nfs/dbraw/zinc/81/72/08/1296817208.db2.gz KNGLJWUFWSJJSR-ZDUSSCGKSA-N -1 1 325.416 2.801 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H](C#N)c1ccc(F)cc1 ZINC001201767435 1297064069 /nfs/dbraw/zinc/06/40/69/1297064069.db2.gz ZDFZKHCTMBZQIA-SNVBAGLBSA-N -1 1 345.808 2.787 20 30 EFEDMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000776353760 1297968087 /nfs/dbraw/zinc/96/80/87/1297968087.db2.gz BYERDVZVQIAREF-PIGZYNQJSA-N -1 1 328.343 2.645 20 30 EFEDMM O=C(c1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1F)N1CCOCC1 ZINC001236196308 1313454582 /nfs/dbraw/zinc/45/45/82/1313454582.db2.gz STRBWWORXSQIHX-SRZZPIQSSA-N -1 1 346.333 2.912 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)ccc1Cl ZINC000194137924 1298521862 /nfs/dbraw/zinc/52/18/62/1298521862.db2.gz QFSCBIPQRBKGNA-UHFFFAOYSA-N -1 1 348.767 2.683 20 30 EFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccoc2)n1 ZINC000108624820 1298759110 /nfs/dbraw/zinc/75/91/10/1298759110.db2.gz YOYBRLASDQWGLS-NSHDSACASA-N -1 1 338.348 2.759 20 30 EFEDMM C=CCn1c(Cc2csc(NC(=O)c3cc[nH]c3)n2)n[n-]c1=S ZINC000111558549 1300251482 /nfs/dbraw/zinc/25/14/82/1300251482.db2.gz ZGSOXFFNALXIRN-UHFFFAOYSA-N -1 1 346.441 2.754 20 30 EFEDMM C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000963292614 1300536540 /nfs/dbraw/zinc/53/65/40/1300536540.db2.gz HGIMLXBLZAOQLG-HUUCEWRRSA-N -1 1 349.862 2.856 20 30 EFEDMM C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000963292615 1300536986 /nfs/dbraw/zinc/53/69/86/1300536986.db2.gz HGIMLXBLZAOQLG-LSDHHAIUSA-N -1 1 349.862 2.856 20 30 EFEDMM C#CCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000795350547 1300831419 /nfs/dbraw/zinc/83/14/19/1300831419.db2.gz FZOJNRMSZJTMJI-UHFFFAOYSA-N -1 1 345.376 2.506 20 30 EFEDMM CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000855195865 1300834557 /nfs/dbraw/zinc/83/45/57/1300834557.db2.gz YMYAMQWNQYXWNZ-UHFFFAOYSA-N -1 1 347.415 2.639 20 30 EFEDMM C=CCCONC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000856034928 1301212893 /nfs/dbraw/zinc/21/28/93/1301212893.db2.gz WWIPNJSULMHRGT-UHFFFAOYSA-N -1 1 348.277 2.741 20 30 EFEDMM CC(Cc1ccsc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248296 1313831304 /nfs/dbraw/zinc/83/13/04/1313831304.db2.gz KYJLCPBGSZLCET-UHFFFAOYSA-N -1 1 339.398 2.553 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1C2CC3CC(C2)CC1C3 ZINC000748254840 1313834082 /nfs/dbraw/zinc/83/40/82/1313834082.db2.gz JFSCANBOINJTBR-UHFFFAOYSA-N -1 1 349.412 2.685 20 30 EFEDMM CC1(C)CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000748255609 1313834374 /nfs/dbraw/zinc/83/43/74/1313834374.db2.gz ZPLXUCGJJWPGTR-UHFFFAOYSA-N -1 1 325.390 2.829 20 30 EFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000794579817 1302752437 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EFEDMM N#Cc1ccc(Oc2ccc(OS(=O)(=O)c3c[n-]cn3)cc2)cc1 ZINC000748656732 1314043876 /nfs/dbraw/zinc/04/38/76/1314043876.db2.gz KBQUAPOYDVFTMB-UHFFFAOYSA-N -1 1 341.348 2.841 20 30 EFEDMM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1cc(F)ccc1[O-] ZINC001240695815 1314061909 /nfs/dbraw/zinc/06/19/09/1314061909.db2.gz TVUKEAIKDCFSOI-LBPRGKRZSA-N -1 1 337.310 2.922 20 30 EFEDMM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccc([O-])c(F)c1 ZINC001240786452 1314071473 /nfs/dbraw/zinc/07/14/73/1314071473.db2.gz TVUWYTKUZWGWEY-NSHDSACASA-N -1 1 329.331 2.937 20 30 EFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC001260474668 1316341522 /nfs/dbraw/zinc/34/15/22/1316341522.db2.gz SNNTZWIXFJSUGX-UHFFFAOYSA-N -1 1 348.236 2.800 20 30 EFEDMM C#CCCOc1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900071561 1307634904 /nfs/dbraw/zinc/63/49/04/1307634904.db2.gz SQBMPJYYXIIDTC-INIZCTEOSA-N -1 1 339.395 2.608 20 30 EFEDMM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc([O-])c(C#N)c1 ZINC001242564003 1314216006 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COCCS(=O)(=O)[N-]c1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001259972814 1316303020 /nfs/dbraw/zinc/30/30/20/1316303020.db2.gz AKEIETAFCFLECY-UHFFFAOYSA-N -1 1 345.924 2.957 20 30 EFEDMM N#CC[N-]S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001260338184 1316332328 /nfs/dbraw/zinc/33/23/28/1316332328.db2.gz HCGXZFCPKBTMQH-UHFFFAOYSA-N -1 1 333.118 2.814 20 30 EFEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC001260843457 1316373782 /nfs/dbraw/zinc/37/37/82/1316373782.db2.gz QCINQLTVFJXXLG-UHFFFAOYSA-N -1 1 344.392 2.708 20 30 EFEDMM C#CC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC ZINC001261051063 1316387155 /nfs/dbraw/zinc/38/71/55/1316387155.db2.gz HSGGEFQLFHSKDN-UHFFFAOYSA-N -1 1 349.861 2.658 20 30 EFEDMM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC001261078029 1316388553 /nfs/dbraw/zinc/38/85/53/1316388553.db2.gz WBLIKIRHJAGTSM-UHFFFAOYSA-N -1 1 343.195 2.597 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001262961786 1316509288 /nfs/dbraw/zinc/50/92/88/1316509288.db2.gz UOGZKVIGKSBFQG-CYBMUJFWSA-N -1 1 342.428 2.963 20 30 EFEDMM C=C(C)CN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC1CC1 ZINC001263673507 1316555146 /nfs/dbraw/zinc/55/51/46/1316555146.db2.gz VLIOJTSDBOVQOB-UHFFFAOYSA-N -1 1 340.431 2.740 20 30 EFEDMM Cc1ccc(C#N)c(NC(=O)[C@@]23C[C@@H]2CCN3Cc2ncccc2[O-])c1 ZINC001279906399 1317413650 /nfs/dbraw/zinc/41/36/50/1317413650.db2.gz XORITLVPMABXDS-MGPUTAFESA-N -1 1 348.406 2.570 20 30 EFEDMM C=CC[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)OCC ZINC001320424220 1329129145 /nfs/dbraw/zinc/12/91/45/1329129145.db2.gz HQUGKQVVJYBKPY-LLVKDONJSA-N -1 1 333.281 2.681 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)cc1 ZINC001320770397 1329184364 /nfs/dbraw/zinc/18/43/64/1329184364.db2.gz HFMZMWIEVLVUSU-UHFFFAOYSA-N -1 1 342.376 2.949 20 30 EFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NNCC2CCOCC2)cs1 ZINC001332258676 1330948575 /nfs/dbraw/zinc/94/85/75/1330948575.db2.gz PIOIAYXRBAQZSW-UHFFFAOYSA-N -1 1 340.449 2.840 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](CC)C1 ZINC001338707836 1331727954 /nfs/dbraw/zinc/72/79/54/1331727954.db2.gz CQURYRNIFDPIKE-LBPRGKRZSA-N -1 1 340.431 2.740 20 30 EFEDMM C=C(C)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC001338938495 1331760081 /nfs/dbraw/zinc/76/00/81/1331760081.db2.gz YSEAEJRUQBLTAX-UHFFFAOYSA-N -1 1 340.445 2.718 20 30 EFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001338980576 1331764171 /nfs/dbraw/zinc/76/41/71/1331764171.db2.gz IMMVDFZQOPMBGY-TXEJJXNPSA-N -1 1 345.834 2.977 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)C[C@H](C)CC ZINC001339497388 1331882062 /nfs/dbraw/zinc/88/20/62/1331882062.db2.gz LUQVSWVUOYGIMY-GFCCVEGCSA-N -1 1 342.447 2.986 20 30 EFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(C#N)CC1 ZINC001339747205 1331949851 /nfs/dbraw/zinc/94/98/51/1331949851.db2.gz XUGTYRJFUXHAMS-UHFFFAOYSA-N -1 1 344.806 2.625 20 30 EFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@H](OC)C1 ZINC001342189408 1332315000 /nfs/dbraw/zinc/31/50/00/1332315000.db2.gz UZLZPFGVURRHBN-NSHDSACASA-N -1 1 349.822 2.500 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@@H](C)CCSC ZINC001343629128 1332364073 /nfs/dbraw/zinc/36/40/73/1332364073.db2.gz REMOYYIZNPQGNE-NSHDSACASA-N -1 1 336.465 2.528 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H]1C1CCC1 ZINC001346430066 1332640043 /nfs/dbraw/zinc/64/00/43/1332640043.db2.gz HJYNERPXAZCOTD-AWEZNQCLSA-N -1 1 328.420 2.719 20 30 EFEDMM C=CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)C1 ZINC001350681450 1333113214 /nfs/dbraw/zinc/11/32/14/1333113214.db2.gz SXTJZGNVQHIXCI-LBPRGKRZSA-N -1 1 328.420 2.576 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847347208 1333581153 /nfs/dbraw/zinc/58/11/53/1333581153.db2.gz CFNVYVRFUGLCKU-YNEHKIRRSA-N -1 1 349.397 2.972 20 30 EFEDMM O=C([O-])Cc1ccc(N=NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000848414776 1334712688 /nfs/dbraw/zinc/71/26/88/1334712688.db2.gz CWSTXKDQUGKZOO-UHFFFAOYSA-N -1 1 338.411 2.773 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ccsc1 ZINC001356453809 1335038345 /nfs/dbraw/zinc/03/83/45/1335038345.db2.gz OFWJALHGPNJSTI-UHFFFAOYSA-N -1 1 330.417 2.648 20 30 EFEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(-c3ccn(C)n3)on2)s1 ZINC001358293982 1335370641 /nfs/dbraw/zinc/37/06/41/1335370641.db2.gz RACQEXDYOGOZOG-UHFFFAOYSA-N -1 1 327.369 2.823 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OC3CC3)c2F)c(=O)o1 ZINC000849241721 1335575237 /nfs/dbraw/zinc/57/52/37/1335575237.db2.gz LTRYREXNZIXMEQ-SBSDFTTDSA-N -1 1 330.311 2.595 20 30 EFEDMM CCc1nc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)[n-]c(=O)c1C ZINC000849921889 1335807730 /nfs/dbraw/zinc/80/77/30/1335807730.db2.gz XXYLNTDROHFQAV-SNVBAGLBSA-N -1 1 348.453 2.787 20 30 EFEDMM Cc1csc([N-]C(=O)c2ccc(S(C)(=O)=O)s2)c1C#N ZINC001361439716 1336082621 /nfs/dbraw/zinc/08/26/21/1336082621.db2.gz HICQRRSRAFIWEH-UHFFFAOYSA-N -1 1 326.424 2.646 20 30 EFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CCCc1nn[n-]n1 ZINC001362148521 1336525316 /nfs/dbraw/zinc/52/53/16/1336525316.db2.gz DCGJHIPRPHTMDH-LLVKDONJSA-N -1 1 330.417 2.555 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCOC[C@H]2c2cc(F)cc(F)c2)cc1[O-] ZINC001434185390 1387105304 /nfs/dbraw/zinc/10/53/04/1387105304.db2.gz NYFIGYDLUKCHBO-INIZCTEOSA-N -1 1 344.317 2.756 20 30 EFEDMM CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC001456972149 1394901415 /nfs/dbraw/zinc/90/14/15/1394901415.db2.gz RVIOVWGKKRYEKM-UHFFFAOYSA-N -1 1 332.363 2.926 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC12CCCC2 ZINC000819743135 1428249325 /nfs/dbraw/zinc/24/93/25/1428249325.db2.gz DDUYLVHNXFGLQG-MRXNPFEDSA-N -1 1 337.427 2.962 20 30 EFEDMM CCN(CC#N)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825394822 1428294745 /nfs/dbraw/zinc/29/47/45/1428294745.db2.gz HXXNUVCCGOKZCD-UHFFFAOYSA-N -1 1 348.410 2.791 20 30 EFEDMM C=CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000735409816 1428329353 /nfs/dbraw/zinc/32/93/53/1428329353.db2.gz LXOFQIRFUXVIHY-KBOKABMXSA-N -1 1 346.394 2.709 20 30 EFEDMM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1O ZINC000821703281 1428689362 /nfs/dbraw/zinc/68/93/62/1428689362.db2.gz XVJBNPBWSIZUGC-HWKANZROSA-N -1 1 328.353 2.539 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894934 1428712308 /nfs/dbraw/zinc/71/23/08/1428712308.db2.gz ZTEUUVIINWJLIO-STQMWFEESA-N -1 1 328.420 2.972 20 30 EFEDMM C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735505882 1428855948 /nfs/dbraw/zinc/85/59/48/1428855948.db2.gz WYZZLJZKOPEIRU-LJQANCHMSA-N -1 1 346.394 2.512 20 30 EFEDMM CSc1ccccc1CC(C)N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000826231091 1428861367 /nfs/dbraw/zinc/86/13/67/1428861367.db2.gz WYHCTWZDKJJRMZ-UHFFFAOYSA-N -1 1 343.416 2.916 20 30 EFEDMM CCOc1ccc(-c2nnn[n-]2)cc1NCC#Cc1ccc(F)cc1 ZINC000821412471 1428914985 /nfs/dbraw/zinc/91/49/85/1428914985.db2.gz LWUOILVXNHYTHZ-UHFFFAOYSA-N -1 1 337.358 2.868 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC[C@@H]1C ZINC000823909457 1428996409 /nfs/dbraw/zinc/99/64/09/1428996409.db2.gz FFYGUYULFQIATK-BBRMVZONSA-N -1 1 325.416 2.818 20 30 EFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000116905094 1416993178 /nfs/dbraw/zinc/99/31/78/1416993178.db2.gz OAHPJJISHDPVBR-MRVPVSSYSA-N -1 1 349.206 2.600 20 30 EFEDMM Cc1c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822091111 1429235551 /nfs/dbraw/zinc/23/55/51/1429235551.db2.gz OFWPBUJQGUBYLA-GFCCVEGCSA-N -1 1 347.382 2.930 20 30 EFEDMM Cn1cc(C=NOC2CCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360797 1429251736 /nfs/dbraw/zinc/25/17/36/1429251736.db2.gz YLUXTSPZJCHVBO-UHFFFAOYSA-N -1 1 337.387 2.560 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(O)cc2F)o1 ZINC000735451047 1429298526 /nfs/dbraw/zinc/29/85/26/1429298526.db2.gz NOCOVDOQOYPMAD-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735448521 1429441515 /nfs/dbraw/zinc/44/15/15/1429441515.db2.gz SATXFVZGYMPKMN-FMIVXFBMSA-N -1 1 330.351 2.780 20 30 EFEDMM C(=NNCc1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819718939 1429520148 /nfs/dbraw/zinc/52/01/48/1429520148.db2.gz VHFSOIGYBKHGHZ-UHFFFAOYSA-N -1 1 329.367 2.539 20 30 EFEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824929480 1423270429 /nfs/dbraw/zinc/27/04/29/1423270429.db2.gz XWOWDIQUFBOGQU-QLJPJBMISA-N -1 1 344.806 2.722 20 30 EFEDMM N#CCOc1cc(F)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826381965 1429645551 /nfs/dbraw/zinc/64/55/51/1429645551.db2.gz HWVYTZARZPGBJC-UHFFFAOYSA-N -1 1 342.309 2.659 20 30 EFEDMM N#CC1(c2ccc(C(=O)Nc3sccc3-c3nn[n-]n3)cc2)CC1 ZINC000826379888 1423608178 /nfs/dbraw/zinc/60/81/78/1423608178.db2.gz GCZSMDMGXBGSOG-UHFFFAOYSA-N -1 1 336.380 2.736 20 30 EFEDMM CCCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821133805 1423615391 /nfs/dbraw/zinc/61/53/91/1423615391.db2.gz FKTDQXJOZOQBSU-UHFFFAOYSA-N -1 1 336.399 2.779 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C#N)cc1Cl ZINC000826250234 1429663959 /nfs/dbraw/zinc/66/39/59/1429663959.db2.gz QPHIHZANZHASAP-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822822763 1423918504 /nfs/dbraw/zinc/91/85/04/1423918504.db2.gz DWSKXRRLRGZPGY-GUYCJALGSA-N -1 1 344.378 2.556 20 30 EFEDMM N#Cc1cccc(OCCCOc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826387053 1423954247 /nfs/dbraw/zinc/95/42/47/1423954247.db2.gz DPTDHZMJECPKIT-UHFFFAOYSA-N -1 1 339.330 2.725 20 30 EFEDMM CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823958622 1424122638 /nfs/dbraw/zinc/12/26/38/1424122638.db2.gz TVJDFASHLWZVSF-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823958622 1424122640 /nfs/dbraw/zinc/12/26/40/1424122640.db2.gz TVJDFASHLWZVSF-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823958622 1424122642 /nfs/dbraw/zinc/12/26/42/1424122642.db2.gz TVJDFASHLWZVSF-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737589219 1424308819 /nfs/dbraw/zinc/30/88/19/1424308819.db2.gz AWGRTYWXHRDKSC-WAYWQWQTSA-N -1 1 349.181 2.803 20 30 EFEDMM O=C(Nc1nn[n-]n1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000025436647 1424382360 /nfs/dbraw/zinc/38/23/60/1424382360.db2.gz RKKRDXMJKWRJGQ-UHFFFAOYSA-N -1 1 337.368 2.750 20 30 EFEDMM COc1ccc(O)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821837365 1424683833 /nfs/dbraw/zinc/68/38/33/1424683833.db2.gz CUKJLXJSIBQCTN-HWKANZROSA-N -1 1 328.353 2.539 20 30 EFEDMM CCOc1ccc(O)c(C=NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736648062 1424851537 /nfs/dbraw/zinc/85/15/37/1424851537.db2.gz XGMAECGNAOPVCO-GRSHGNNSSA-N -1 1 341.346 2.729 20 30 EFEDMM N#CCCN(CC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822806770 1429764380 /nfs/dbraw/zinc/76/43/80/1429764380.db2.gz SYDAEKSQQOEJIN-UHFFFAOYSA-N -1 1 345.794 2.678 20 30 EFEDMM CC1(C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H]2CCCO[C@H]21 ZINC000824784704 1425004403 /nfs/dbraw/zinc/00/44/03/1425004403.db2.gz ZOKSCVPQMGLAGC-NOZJJQNGSA-N -1 1 347.810 2.518 20 30 EFEDMM Clc1ccccc1NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737583982 1425044785 /nfs/dbraw/zinc/04/47/85/1425044785.db2.gz PDKGQPFGTJQIAT-UHFFFAOYSA-N -1 1 338.762 2.614 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)n2c1 ZINC000822280609 1425052639 /nfs/dbraw/zinc/05/26/39/1425052639.db2.gz TWWKLJBMFCCFMJ-BQYQJAHWSA-N -1 1 330.351 2.719 20 30 EFEDMM Cc1nc(C)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000823958850 1425064641 /nfs/dbraw/zinc/06/46/41/1425064641.db2.gz ZCLZYCBHURNMFG-UHFFFAOYSA-N -1 1 348.823 2.825 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1sc(C)nc1C ZINC000823958850 1425064650 /nfs/dbraw/zinc/06/46/50/1425064650.db2.gz ZCLZYCBHURNMFG-UHFFFAOYSA-N -1 1 348.823 2.825 20 30 EFEDMM N#Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822826047 1425208325 /nfs/dbraw/zinc/20/83/25/1425208325.db2.gz SSMCIJUEHCUOLB-UHFFFAOYSA-N -1 1 338.758 2.573 20 30 EFEDMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(C#N)c1 ZINC000820512302 1425281400 /nfs/dbraw/zinc/28/14/00/1425281400.db2.gz JIXKOUSFAMLOEB-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826333924 1425290708 /nfs/dbraw/zinc/29/07/08/1425290708.db2.gz ZQPKGOSCLSQKPR-AATRIKPKSA-N -1 1 346.753 2.597 20 30 EFEDMM Cc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)c(C#N)c1C ZINC000826337540 1425291547 /nfs/dbraw/zinc/29/15/47/1425291547.db2.gz RYWNFCHGDYIWNV-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2cc(C#N)ccc2n1 ZINC000825961923 1425316224 /nfs/dbraw/zinc/31/62/24/1425316224.db2.gz PFEXKEKALBOHND-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM C[C@@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736118058 1425384755 /nfs/dbraw/zinc/38/47/55/1425384755.db2.gz RVMARWAIJAISJY-SECBINFHSA-N -1 1 339.384 2.683 20 30 EFEDMM C#Cc1cccc(NC(=S)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390677 1425421202 /nfs/dbraw/zinc/42/12/02/1425421202.db2.gz BLEQWFXUCODOPQ-UHFFFAOYSA-N -1 1 348.435 2.677 20 30 EFEDMM N#Cc1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000737708210 1425546615 /nfs/dbraw/zinc/54/66/15/1425546615.db2.gz BLCBRUJHRCMIPW-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM C=C[C@@H](CC)OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000823883661 1425955438 /nfs/dbraw/zinc/95/54/38/1425955438.db2.gz WXLJABVBFBFUHS-ZDUSSCGKSA-N -1 1 346.387 2.542 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cccc3ncccc32)cc1-c1nn[n-]n1 ZINC000737718311 1426052579 /nfs/dbraw/zinc/05/25/79/1426052579.db2.gz HJMMMOZIQJAQFA-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM Cc1ccccc1N=C1NN=C(c2ccc(-c3nnn[n-]3)cc2)CS1 ZINC000822362448 1426055465 /nfs/dbraw/zinc/05/54/65/1426055465.db2.gz UCGPMKLEIYSGLP-UHFFFAOYSA-N -1 1 349.423 2.903 20 30 EFEDMM COC[C@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826148166 1426075794 /nfs/dbraw/zinc/07/57/94/1426075794.db2.gz AUUUJVNSSNIYBP-QMMMGPOBSA-N -1 1 342.325 2.956 20 30 EFEDMM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000826169778 1426205360 /nfs/dbraw/zinc/20/53/60/1426205360.db2.gz DONHISXWJCRTQR-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000826169778 1426205369 /nfs/dbraw/zinc/20/53/69/1426205369.db2.gz DONHISXWJCRTQR-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000737306970 1426229823 /nfs/dbraw/zinc/22/98/23/1426229823.db2.gz FGOXXVYNUVKWAX-PLNGDYQASA-N -1 1 336.380 2.780 20 30 EFEDMM C[C@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735505021 1426507873 /nfs/dbraw/zinc/50/78/73/1426507873.db2.gz REPCGDFCOXFKGG-GFCCVEGCSA-N -1 1 348.366 2.544 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737698143 1426514452 /nfs/dbraw/zinc/51/44/52/1426514452.db2.gz UCNUHTUQHJILAN-BQYQJAHWSA-N -1 1 331.335 2.665 20 30 EFEDMM N#Cc1nc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC000822846371 1426519414 /nfs/dbraw/zinc/51/94/14/1426519414.db2.gz YVOKHXUUSXONBE-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1F ZINC000736733184 1426558518 /nfs/dbraw/zinc/55/85/18/1426558518.db2.gz PMNNWZGGRLINQK-CLFYSBASSA-N -1 1 348.341 2.554 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(F)cc1C#N ZINC000736625916 1426574693 /nfs/dbraw/zinc/57/46/93/1426574693.db2.gz GQALCTYGBIXLHP-UHFFFAOYSA-N -1 1 339.330 2.855 20 30 EFEDMM CC(C)Oc1ccc(NC(=O)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820174630 1426620855 /nfs/dbraw/zinc/62/08/55/1426620855.db2.gz UREAPJJUZZBMDX-UHFFFAOYSA-N -1 1 348.366 2.778 20 30 EFEDMM Cc1ccc(F)cc1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000826289494 1426722341 /nfs/dbraw/zinc/72/23/41/1426722341.db2.gz CMYLAMSUVJJNKH-UHFFFAOYSA-N -1 1 329.339 2.872 20 30 EFEDMM N#Cc1cc2c(nc1NCc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000826384541 1426726512 /nfs/dbraw/zinc/72/65/12/1426726512.db2.gz ZJSUUTUQDNPCPH-UHFFFAOYSA-N -1 1 331.383 2.624 20 30 EFEDMM C=CCc1cc(CNc2cccc(-c3nnn[n-]3)c2)cc(OC)c1O ZINC000823937275 1426748838 /nfs/dbraw/zinc/74/88/38/1426748838.db2.gz POKRYRQFAOMKKN-UHFFFAOYSA-N -1 1 337.383 2.922 20 30 EFEDMM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000819759320 1426763070 /nfs/dbraw/zinc/76/30/70/1426763070.db2.gz UGBUSYGRKVEMBM-UHFFFAOYSA-N -1 1 347.444 2.728 20 30 EFEDMM CC(CCCCO)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824402421 1426834172 /nfs/dbraw/zinc/83/41/72/1426834172.db2.gz WLMOLMCPZPWPEC-UHFFFAOYSA-N -1 1 342.325 2.836 20 30 EFEDMM CC(C)CCN(CCC#N)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735803936 1426843940 /nfs/dbraw/zinc/84/39/40/1426843940.db2.gz MKFASDYTUMCCST-UHFFFAOYSA-N -1 1 340.431 2.588 20 30 EFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC000822800990 1426846847 /nfs/dbraw/zinc/84/68/47/1426846847.db2.gz CWEGVFJHDPZEFU-JTQLQIEISA-N -1 1 344.787 2.576 20 30 EFEDMM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)c(F)c1 ZINC000824611562 1426891753 /nfs/dbraw/zinc/89/17/53/1426891753.db2.gz BFSFDFIPNSPTBM-JTQLQIEISA-N -1 1 340.337 2.867 20 30 EFEDMM N#Cc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000826387231 1426952740 /nfs/dbraw/zinc/95/27/40/1426952740.db2.gz LGYWUKHFDRHYEE-ZROIWOOFSA-N -1 1 327.347 2.951 20 30 EFEDMM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2cc1C#N ZINC000821609849 1427037081 /nfs/dbraw/zinc/03/70/81/1427037081.db2.gz ORZRCNGAXAYXJD-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncccc1CC ZINC000823914141 1427086752 /nfs/dbraw/zinc/08/67/52/1427086752.db2.gz BJJHGINNCDRPEW-UHFFFAOYSA-N -1 1 348.410 2.653 20 30 EFEDMM CC(=NNc1ccnc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000735451380 1427102067 /nfs/dbraw/zinc/10/20/67/1427102067.db2.gz ZCAPMOOOCNONHH-UHFFFAOYSA-N -1 1 329.367 2.673 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823893868 1427158518 /nfs/dbraw/zinc/15/85/18/1427158518.db2.gz AFNIVFNOIWQCBZ-LLVKDONJSA-N -1 1 332.383 2.550 20 30 EFEDMM N#Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716312 1427167922 /nfs/dbraw/zinc/16/79/22/1427167922.db2.gz PAKRADMEBQLYMW-UHFFFAOYSA-N -1 1 338.758 2.573 20 30 EFEDMM Cc1ncsc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000822481737 1427259749 /nfs/dbraw/zinc/25/97/49/1427259749.db2.gz DFMVOYJQLOGLHN-WAYWQWQTSA-N -1 1 340.412 2.584 20 30 EFEDMM N#Cc1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822833241 1427275569 /nfs/dbraw/zinc/27/55/69/1427275569.db2.gz MPDVULAZWPFVFB-UHFFFAOYSA-N -1 1 339.330 2.725 20 30 EFEDMM N#CCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826381480 1427304890 /nfs/dbraw/zinc/30/48/90/1427304890.db2.gz NJLSNRDQRUPYMC-UHFFFAOYSA-N -1 1 348.366 2.693 20 30 EFEDMM CN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825875228 1427305373 /nfs/dbraw/zinc/30/53/73/1427305373.db2.gz GJIURQJEXOQVED-ONNFQVAWSA-N -1 1 337.358 2.968 20 30 EFEDMM CCC(Cc1ccc(C)cc1)N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000736352285 1427444688 /nfs/dbraw/zinc/44/46/88/1427444688.db2.gz KFHUSDFKRDWDMS-UHFFFAOYSA-N -1 1 325.376 2.892 20 30 EFEDMM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1O ZINC000819772880 1427516146 /nfs/dbraw/zinc/51/61/46/1427516146.db2.gz MDCYBZSKIVXPEO-UHFFFAOYSA-N -1 1 330.298 2.687 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821669099 1427554401 /nfs/dbraw/zinc/55/44/01/1427554401.db2.gz XRTYWAPVIMEFQR-SOFGYWHQSA-N -1 1 340.364 2.611 20 30 EFEDMM CC(=NNc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000735450917 1427597220 /nfs/dbraw/zinc/59/72/20/1427597220.db2.gz JVRMOPLDDYWWOX-UHFFFAOYSA-N -1 1 330.355 2.646 20 30 EFEDMM CC(N=Nc1cnc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000735450917 1427597224 /nfs/dbraw/zinc/59/72/24/1427597224.db2.gz JVRMOPLDDYWWOX-UHFFFAOYSA-N -1 1 330.355 2.646 20 30 EFEDMM CC(N=Nc1cnc2ccccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000735450917 1427597232 /nfs/dbraw/zinc/59/72/32/1427597232.db2.gz JVRMOPLDDYWWOX-UHFFFAOYSA-N -1 1 330.355 2.646 20 30 EFEDMM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000826402828 1427602141 /nfs/dbraw/zinc/60/21/41/1427602141.db2.gz CWWRRVVHIODHSA-AATRIKPKSA-N -1 1 327.325 2.733 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc3ncccc3c2)ccc1-c1nn[n-]n1 ZINC000737707680 1427604884 /nfs/dbraw/zinc/60/48/84/1427604884.db2.gz BDDWRISQIDJOHF-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM N#Cc1cccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737731085 1427605016 /nfs/dbraw/zinc/60/50/16/1427605016.db2.gz YDOMHVGLZSUJLS-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM C#CCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819702290 1427790720 /nfs/dbraw/zinc/79/07/20/1427790720.db2.gz XIWAUWQGHYCRFC-UHFFFAOYSA-N -1 1 336.376 2.808 20 30 EFEDMM CCCC(Cc1ccccc1)N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000736427659 1427876976 /nfs/dbraw/zinc/87/69/76/1427876976.db2.gz ZDXMWZSCYBDXNM-UHFFFAOYSA-N -1 1 325.376 2.974 20 30 EFEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000824293849 1427897665 /nfs/dbraw/zinc/89/76/65/1427897665.db2.gz ZQPQQLFODWYLML-UHFFFAOYSA-N -1 1 333.399 2.544 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737373266 1427920479 /nfs/dbraw/zinc/92/04/79/1427920479.db2.gz RUKBEQKTSRXHKT-SOFGYWHQSA-N -1 1 335.323 2.979 20 30 EFEDMM C[C@H]1CCC[C@@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)C1 ZINC000824925206 1427922532 /nfs/dbraw/zinc/92/25/32/1427922532.db2.gz BOAGXUDINQDJQY-VHSXEESVSA-N -1 1 329.433 2.634 20 30 EFEDMM N#Cc1cc(F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000822818915 1427952038 /nfs/dbraw/zinc/95/20/38/1427952038.db2.gz IPYWNVMHVTYZGO-UHFFFAOYSA-N -1 1 330.273 2.768 20 30 EFEDMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820380100 1427998455 /nfs/dbraw/zinc/99/84/55/1427998455.db2.gz LFOCKDXKZJHOHF-LLVKDONJSA-N -1 1 333.355 2.621 20 30 EFEDMM N#CCCN(Cc1ccco1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822811297 1428034460 /nfs/dbraw/zinc/03/44/60/1428034460.db2.gz UZOYNFFZSBJRTB-UHFFFAOYSA-N -1 1 326.335 2.515 20 30 EFEDMM CCNc1ccc(C#N)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825481363 1428094276 /nfs/dbraw/zinc/09/42/76/1428094276.db2.gz XZSWJBWNSZTUPN-UHFFFAOYSA-N -1 1 337.362 2.921 20 30 EFEDMM Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000737391146 1428174142 /nfs/dbraw/zinc/17/41/42/1428174142.db2.gz ZALJNRMAFVZMJG-UHFFFAOYSA-N -1 1 344.378 2.717 20 30 EFEDMM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962094 1429852766 /nfs/dbraw/zinc/85/27/66/1429852766.db2.gz DTZSJJVAMKWHEY-UHFFFAOYSA-N -1 1 348.345 2.785 20 30 EFEDMM N#C[C@H](C(=O)c1sccc1-c1nn[n-]n1)c1ccc2ccccc2n1 ZINC000737673880 1430047880 /nfs/dbraw/zinc/04/78/80/1430047880.db2.gz SFISMNFMYCSNCY-LBPRGKRZSA-N -1 1 346.375 2.966 20 30 EFEDMM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958333 1430069962 /nfs/dbraw/zinc/06/99/62/1430069962.db2.gz JSQILVFZFSIBDP-UHFFFAOYSA-N -1 1 336.334 2.718 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccc(F)cc1 ZINC000826184748 1430115677 /nfs/dbraw/zinc/11/56/77/1430115677.db2.gz JDKNRKLFHVDKKX-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1OCCCOc1cccc(C#N)c1 ZINC000822136170 1430122574 /nfs/dbraw/zinc/12/25/74/1430122574.db2.gz JJASCCBBOSHMAL-UHFFFAOYSA-N -1 1 335.367 2.895 20 30 EFEDMM C[C@@H](Nc1cc(C#N)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137169 1430167719 /nfs/dbraw/zinc/16/77/19/1430167719.db2.gz IOLMYTUJWIOSKS-GFCCVEGCSA-N -1 1 341.378 2.882 20 30 EFEDMM CCCn1nc(C)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821149296 1430167991 /nfs/dbraw/zinc/16/79/91/1430167991.db2.gz VARODMVCZSPLAA-CMDGGOBGSA-N -1 1 336.399 2.986 20 30 EFEDMM N#CC1(c2ccc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826380955 1430172920 /nfs/dbraw/zinc/17/29/20/1430172920.db2.gz RUWDCJJYRCQBOP-UHFFFAOYSA-N -1 1 345.362 2.779 20 30 EFEDMM CCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000821477084 1441418544 /nfs/dbraw/zinc/41/85/44/1441418544.db2.gz XQERDNLZUJFDFF-XQRVVYSFSA-N -1 1 334.339 2.566 20 30 EFEDMM CCC(CC)CN(CCC#N)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820892539 1441440550 /nfs/dbraw/zinc/44/05/50/1441440550.db2.gz BFZHIMJZVRAPFO-UHFFFAOYSA-N -1 1 340.431 2.588 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000826183996 1441480332 /nfs/dbraw/zinc/48/03/32/1441480332.db2.gz HQRRJJRBMKAGME-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000826183996 1441480330 /nfs/dbraw/zinc/48/03/30/1441480330.db2.gz HQRRJJRBMKAGME-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM CCCCS[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736463427 1441484806 /nfs/dbraw/zinc/48/48/06/1441484806.db2.gz PJRYDWZFWMTIBE-SNVBAGLBSA-N -1 1 330.417 2.599 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1O ZINC000826178962 1441497890 /nfs/dbraw/zinc/49/78/90/1441497890.db2.gz SDYMSGSUGJWKIC-QHHAFSJGSA-N -1 1 340.314 2.616 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000821770822 1441507306 /nfs/dbraw/zinc/50/73/06/1441507306.db2.gz XSRDGRGLBQBGDK-UTCJRWHESA-N -1 1 330.344 2.972 20 30 EFEDMM C=CCCCCCN(C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735408161 1441555646 /nfs/dbraw/zinc/55/56/46/1441555646.db2.gz GTZJHBHANNLSKA-UHFFFAOYSA-N -1 1 334.449 2.545 20 30 EFEDMM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826191001 1441624991 /nfs/dbraw/zinc/62/49/91/1441624991.db2.gz UDNGYLWPJXAVMQ-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737082771 1441629579 /nfs/dbraw/zinc/62/95/79/1441629579.db2.gz JVWXNIWDVKPUHM-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)s1 ZINC000821786446 1441630738 /nfs/dbraw/zinc/63/07/38/1441630738.db2.gz DMCZRZVSHOZWHX-UHFFFAOYSA-N -1 1 347.404 2.569 20 30 EFEDMM C=C(C)CN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823872855 1441675504 /nfs/dbraw/zinc/67/55/04/1441675504.db2.gz FGKRLSBBJMMGMS-UHFFFAOYSA-N -1 1 330.392 2.694 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CN(CCC#N)CCC(C)C ZINC000826181692 1441677666 /nfs/dbraw/zinc/67/76/66/1441677666.db2.gz KIHSAGFNOXIEFU-UHFFFAOYSA-N -1 1 328.420 2.637 20 30 EFEDMM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403071 1441687315 /nfs/dbraw/zinc/68/73/15/1441687315.db2.gz JDQUKOQDHGNZEA-ALCCZGGFSA-N -1 1 334.314 2.550 20 30 EFEDMM CCOc1cc(C#N)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736627610 1441713651 /nfs/dbraw/zinc/71/36/51/1441713651.db2.gz NRFLRIVSYPWITB-UHFFFAOYSA-N -1 1 339.330 2.855 20 30 EFEDMM C#CCOc1ccccc1[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735388301 1441752255 /nfs/dbraw/zinc/75/22/55/1441752255.db2.gz XGRPCOQZPWMFJA-CYBMUJFWSA-N -1 1 348.362 2.797 20 30 EFEDMM C#CCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819697897 1441759002 /nfs/dbraw/zinc/75/90/02/1441759002.db2.gz NZSOULKVPCWQJD-UHFFFAOYSA-N -1 1 349.419 2.771 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC000823874852 1441784929 /nfs/dbraw/zinc/78/49/29/1441784929.db2.gz ZRAFESIOYJVHFJ-CYBMUJFWSA-N -1 1 335.795 2.830 20 30 EFEDMM C=CCC[C@H](OC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894891 1441841177 /nfs/dbraw/zinc/84/11/77/1441841177.db2.gz ZDVZRWKRNGDEEN-LRDDRELGSA-N -1 1 342.399 2.922 20 30 EFEDMM C=CC1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402493 1441891732 /nfs/dbraw/zinc/89/17/32/1441891732.db2.gz CHCCVODONCVEME-UHFFFAOYSA-N -1 1 343.456 2.525 20 30 EFEDMM N#Cc1cc(NC(=O)c2coc3ccccc23)ccc1-c1nnn[n-]1 ZINC000737710027 1441913462 /nfs/dbraw/zinc/91/34/62/1441913462.db2.gz QDTAUWCDBBDZOV-UHFFFAOYSA-N -1 1 330.307 2.737 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1NCC#Cc1cccc(Cl)c1 ZINC000821766420 1441944094 /nfs/dbraw/zinc/94/40/94/1441944094.db2.gz WOKFGANABSNZDI-UHFFFAOYSA-N -1 1 339.786 2.992 20 30 EFEDMM C=C(C)[C@@H]1CC=C(COC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000819722809 1441983691 /nfs/dbraw/zinc/98/36/91/1441983691.db2.gz RGBXSDBUWZLRAW-CYBMUJFWSA-N -1 1 327.388 2.665 20 30 EFEDMM Cc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1Cl ZINC000826296491 1442004474 /nfs/dbraw/zinc/00/44/74/1442004474.db2.gz ZAARWKUXKNWFEV-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1Cc2ccccc21 ZINC000735419715 1442071846 /nfs/dbraw/zinc/07/18/46/1442071846.db2.gz ZCQILXWPQYCWRE-SFHVURJKSA-N -1 1 345.406 2.721 20 30 EFEDMM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819729652 1442194601 /nfs/dbraw/zinc/19/46/01/1442194601.db2.gz KAIHWVWZSOMWMG-QMMMGPOBSA-N -1 1 340.309 2.972 20 30 EFEDMM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000825806789 1442262345 /nfs/dbraw/zinc/26/23/45/1442262345.db2.gz DZAPBXPJVBFFLJ-WAYWQWQTSA-N -1 1 328.401 2.658 20 30 EFEDMM C=CCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823894090 1442296330 /nfs/dbraw/zinc/29/63/30/1442296330.db2.gz HGANTUAGMNSWJY-UHFFFAOYSA-N -1 1 337.177 2.639 20 30 EFEDMM CCc1nnc(Oc2ccc(C#N)cc2F)c(-c2nnn[n-]2)c1CC ZINC000821548414 1442306726 /nfs/dbraw/zinc/30/67/26/1442306726.db2.gz LZWWHLUASQZZIG-UHFFFAOYSA-N -1 1 339.334 2.585 20 30 EFEDMM CC(=O)Nc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824000009 1442451500 /nfs/dbraw/zinc/45/15/00/1442451500.db2.gz QPOPYDYCOIYQHY-UHFFFAOYSA-N -1 1 335.371 2.661 20 30 EFEDMM O=C(OCC#Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826463277 1442465084 /nfs/dbraw/zinc/46/50/84/1442465084.db2.gz YLGLWYQOUPNGEC-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM CN1CCc2cc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826045243 1442488628 /nfs/dbraw/zinc/48/86/28/1442488628.db2.gz SLFRKOPAERWPQX-SOFGYWHQSA-N -1 1 331.379 2.755 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000735399974 1443065571 /nfs/dbraw/zinc/06/55/71/1443065571.db2.gz YHMSXRKLJWETCK-LLVKDONJSA-N -1 1 349.435 2.911 20 30 EFEDMM Fc1ccc(C=NOCCCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737647443 1443097553 /nfs/dbraw/zinc/09/75/53/1443097553.db2.gz DLBBCMDIVNVIJG-UHFFFAOYSA-N -1 1 341.346 2.825 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C#N ZINC000826190946 1443186786 /nfs/dbraw/zinc/18/67/86/1443186786.db2.gz RNEUOCGATGYVPT-DUXPYHPUSA-N -1 1 337.364 2.705 20 30 EFEDMM Cc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCCO2 ZINC000822275016 1443205126 /nfs/dbraw/zinc/20/51/26/1443205126.db2.gz NGUDXMINSFUGTG-UHFFFAOYSA-N -1 1 348.410 2.842 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)CCO2 ZINC000826400528 1443242256 /nfs/dbraw/zinc/24/22/56/1443242256.db2.gz AWEZYZSQTBBTOA-DJWKRKHSSA-N -1 1 336.326 2.837 20 30 EFEDMM COCc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1 ZINC000737016219 1443259548 /nfs/dbraw/zinc/25/95/48/1443259548.db2.gz AALSEZRTMVRRIY-UHFFFAOYSA-N -1 1 341.375 2.571 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1COc1c(C)cc(C#N)cc1C ZINC000826184948 1443318912 /nfs/dbraw/zinc/31/89/12/1443318912.db2.gz RKTIAYYHNLAYMB-UHFFFAOYSA-N -1 1 335.367 2.943 20 30 EFEDMM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820404276 1443329378 /nfs/dbraw/zinc/32/93/78/1443329378.db2.gz RLUXFUTZKMDHDR-NSHDSACASA-N -1 1 349.423 2.786 20 30 EFEDMM C=CCCCN(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735412914 1443383412 /nfs/dbraw/zinc/38/34/12/1443383412.db2.gz MTKXSOBCVSJXBP-UHFFFAOYSA-N -1 1 331.445 2.525 20 30 EFEDMM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Cl ZINC000826383903 1443498099 /nfs/dbraw/zinc/49/80/99/1443498099.db2.gz WSFQOZOHRDMHKM-UHFFFAOYSA-N -1 1 349.741 2.516 20 30 EFEDMM C#CCOc1ccccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735387579 1443501137 /nfs/dbraw/zinc/50/11/37/1443501137.db2.gz AGTULOXTFHSHHX-UHFFFAOYSA-N -1 1 346.803 2.601 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCCCS1 ZINC000823910198 1443515471 /nfs/dbraw/zinc/51/54/71/1443515471.db2.gz YSZIWDCKHVLVKX-OAHLLOKOSA-N -1 1 343.456 2.667 20 30 EFEDMM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1O ZINC000826191182 1443550181 /nfs/dbraw/zinc/55/01/81/1443550181.db2.gz ZLICDIPAKCNLAC-UHFFFAOYSA-N -1 1 344.762 2.680 20 30 EFEDMM N#Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c(F)c1 ZINC000822826422 1443573109 /nfs/dbraw/zinc/57/31/09/1443573109.db2.gz XMEBXLQVMYECKW-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM C=CCCOCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000823898767 1443596337 /nfs/dbraw/zinc/59/63/37/1443596337.db2.gz AIKDVGWWNBZRBY-UHFFFAOYSA-N -1 1 346.341 2.698 20 30 EFEDMM N#Cc1ccc(CN(Cc2cc(-c3nn[n-]n3)cs2)C2CC2)cc1 ZINC000826384973 1443626187 /nfs/dbraw/zinc/62/61/87/1443626187.db2.gz RSFIOALIDQHONP-UHFFFAOYSA-N -1 1 336.424 2.964 20 30 EFEDMM N#Cc1ccc(CN(Cc2cc(-c3nnn[n-]3)cs2)C2CC2)cc1 ZINC000826384973 1443626189 /nfs/dbraw/zinc/62/61/89/1443626189.db2.gz RSFIOALIDQHONP-UHFFFAOYSA-N -1 1 336.424 2.964 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000819740277 1443656832 /nfs/dbraw/zinc/65/68/32/1443656832.db2.gz XBSSHOYKJNTZLM-GFCCVEGCSA-N -1 1 329.429 2.548 20 30 EFEDMM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C#N)C2CCCCC2)n1 ZINC000737472280 1443755413 /nfs/dbraw/zinc/75/54/13/1443755413.db2.gz YMWCXAQKVSHKBE-GFCCVEGCSA-N -1 1 329.433 2.838 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000826190659 1443812831 /nfs/dbraw/zinc/81/28/31/1443812831.db2.gz INLNMLDPZPPQEE-QHHAFSJGSA-N -1 1 349.325 2.782 20 30 EFEDMM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402765 1443858988 /nfs/dbraw/zinc/85/89/88/1443858988.db2.gz BKBXBADLZXASKZ-GQCTYLIASA-N -1 1 329.722 2.950 20 30 EFEDMM N#Cc1cc(F)ccc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826384477 1443903669 /nfs/dbraw/zinc/90/36/69/1443903669.db2.gz WYNUVCQZHVUTNN-UHFFFAOYSA-N -1 1 334.358 2.656 20 30 EFEDMM COc1cc(C)c(C=NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821708094 1443932019 /nfs/dbraw/zinc/93/20/19/1443932019.db2.gz KFRXHFVDAVZGCL-UHFFFAOYSA-N -1 1 338.371 2.638 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC1CC1 ZINC000735418675 1443968836 /nfs/dbraw/zinc/96/88/36/1443968836.db2.gz IKKXXZSUPKAQCA-UHFFFAOYSA-N -1 1 340.431 2.755 20 30 EFEDMM C#C[C@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823837965 1443969827 /nfs/dbraw/zinc/96/98/27/1443969827.db2.gz JHJZGUAFFCUHOK-MUSGIIIZSA-N -1 1 344.374 2.668 20 30 EFEDMM CC(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000824371621 1443985025 /nfs/dbraw/zinc/98/50/25/1443985025.db2.gz MAESRZXYPFFKND-UTCJRWHESA-N -1 1 326.335 2.679 20 30 EFEDMM COc1ccc(CN(CCC#N)CC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826194071 1444008234 /nfs/dbraw/zinc/00/82/34/1444008234.db2.gz ZPXXUOJFYJPDDF-UHFFFAOYSA-N -1 1 328.420 2.637 20 30 EFEDMM C=CCCC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000823894262 1444030962 /nfs/dbraw/zinc/03/09/62/1444030962.db2.gz LPKOIWXKGBMYSK-QWHCGFSZSA-N -1 1 330.388 2.922 20 30 EFEDMM C[C@H](C#N)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824034724 1446081298 /nfs/dbraw/zinc/08/12/98/1446081298.db2.gz NVBMEPUOAGOTDB-LLVKDONJSA-N -1 1 335.323 2.728 20 30 EFEDMM Cc1ccc(N(CCC#N)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737347875 1446099324 /nfs/dbraw/zinc/09/93/24/1446099324.db2.gz RXNDPDGGQHEFDK-UHFFFAOYSA-N -1 1 338.396 2.797 20 30 EFEDMM N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822822878 1446214486 /nfs/dbraw/zinc/21/44/86/1446214486.db2.gz GDWGPFXRUVBFCR-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM CC1(C#N)CCN(c2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000824778088 1446417286 /nfs/dbraw/zinc/41/72/86/1446417286.db2.gz NKOVCHFUQXAIGN-UHFFFAOYSA-N -1 1 347.220 2.759 20 30 EFEDMM COc1ccc(C=C2CCOc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083982 1446438255 /nfs/dbraw/zinc/43/82/55/1446438255.db2.gz QOXUBUDCTDZGER-RAXLEYEMSA-N -1 1 348.362 2.924 20 30 EFEDMM C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724100 1446455631 /nfs/dbraw/zinc/45/56/31/1446455631.db2.gz YQVWWFFCRKAQAD-GFCCVEGCSA-N -1 1 333.351 2.851 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC[C@H]1CCc2ccccc21 ZINC000826383868 1446458139 /nfs/dbraw/zinc/45/81/39/1446458139.db2.gz VDRXLQTUHQPKOQ-LLVKDONJSA-N -1 1 349.423 2.538 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nccc2ccccc21 ZINC000819718246 1446483661 /nfs/dbraw/zinc/48/36/61/1446483661.db2.gz BTDSRNSTTXUXPC-UHFFFAOYSA-N -1 1 329.367 2.539 20 30 EFEDMM C=CCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000735409231 1446540860 /nfs/dbraw/zinc/54/08/60/1446540860.db2.gz VUENZDBUTNNDAC-UHFFFAOYSA-N -1 1 337.387 2.574 20 30 EFEDMM C[C@H](CSc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736057527 1446552638 /nfs/dbraw/zinc/55/26/38/1446552638.db2.gz WPHGHFLCPWXFFK-SNVBAGLBSA-N -1 1 337.412 2.611 20 30 EFEDMM Fc1ccc(F)c2c1CCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826375170 1446577103 /nfs/dbraw/zinc/57/71/03/1446577103.db2.gz BXPABLJHLNTNEP-UHFFFAOYSA-N -1 1 326.310 2.907 20 30 EFEDMM CN(Cc1cccc(C#N)c1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736821261 1446667869 /nfs/dbraw/zinc/66/78/69/1446667869.db2.gz BGLKIOYLNUZHAJ-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM CC(=NNCc1cnc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000819773194 1446679941 /nfs/dbraw/zinc/67/99/41/1446679941.db2.gz RPBFRSNXIUXLFQ-UHFFFAOYSA-N -1 1 343.394 2.929 20 30 EFEDMM C#CCCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823837391 1446726249 /nfs/dbraw/zinc/72/62/49/1446726249.db2.gz CXEWPIOJLXGBOD-UHFFFAOYSA-N -1 1 335.411 2.676 20 30 EFEDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)C#Cc1ccccc1 ZINC000821118993 1446859931 /nfs/dbraw/zinc/85/99/31/1446859931.db2.gz SSWRGQLSOCRPGT-UHFFFAOYSA-N -1 1 346.394 2.679 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(Cl)c(F)c2)o1 ZINC000823963132 1446862133 /nfs/dbraw/zinc/86/21/33/1446862133.db2.gz WDFNCWWOOKKLPX-UHFFFAOYSA-N -1 1 335.730 2.792 20 30 EFEDMM N#Cc1ccc(OCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000822833302 1446863177 /nfs/dbraw/zinc/86/31/77/1446863177.db2.gz NRFFIIQIVXHKMB-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM C=C(CC)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000823877819 1446865948 /nfs/dbraw/zinc/86/59/48/1446865948.db2.gz GVGYXLMFAXFNOX-UHFFFAOYSA-N -1 1 345.428 2.984 20 30 EFEDMM Oc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000826510779 1446951087 /nfs/dbraw/zinc/95/10/87/1446951087.db2.gz KFEPOHVPKJWGRS-UHFFFAOYSA-N -1 1 332.726 2.811 20 30 EFEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(C)c1F ZINC000826260523 1447102280 /nfs/dbraw/zinc/10/22/80/1447102280.db2.gz SCIKVEPOZMQZKE-UHFFFAOYSA-N -1 1 336.330 2.747 20 30 EFEDMM Cc1cc(C)c(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C)c1 ZINC000826263352 1447151546 /nfs/dbraw/zinc/15/15/46/1447151546.db2.gz WUJRAWABLPTCBW-UHFFFAOYSA-N -1 1 346.394 2.845 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1O ZINC000826178961 1447251201 /nfs/dbraw/zinc/25/12/01/1447251201.db2.gz SDYMSGSUGJWKIC-KXFIGUGUSA-N -1 1 340.314 2.616 20 30 EFEDMM CC(C)Oc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820178251 1447256855 /nfs/dbraw/zinc/25/68/55/1447256855.db2.gz MQLALVFYNNRGCK-UHFFFAOYSA-N -1 1 336.399 2.778 20 30 EFEDMM N#Cc1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826383424 1449051486 /nfs/dbraw/zinc/05/14/86/1449051486.db2.gz ABAIBBWXGHNTLO-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823894095 1449079240 /nfs/dbraw/zinc/07/92/40/1449079240.db2.gz HHSYZZANTRTZFA-CYBMUJFWSA-N -1 1 345.472 2.961 20 30 EFEDMM C#CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819702213 1449111287 /nfs/dbraw/zinc/11/12/87/1449111287.db2.gz UDCMXRDSAQTQPJ-UHFFFAOYSA-N -1 1 334.335 2.757 20 30 EFEDMM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1O ZINC000821703227 1449136229 /nfs/dbraw/zinc/13/62/29/1449136229.db2.gz VKDBDWGUABMZAF-GQCTYLIASA-N -1 1 340.314 2.616 20 30 EFEDMM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399984 1449190999 /nfs/dbraw/zinc/19/09/99/1449190999.db2.gz MBXTUAICTNOKDM-POHAHGRESA-N -1 1 340.289 2.804 20 30 EFEDMM CCO[C@@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000821351651 1449357287 /nfs/dbraw/zinc/35/72/87/1449357287.db2.gz UOFVLZDHGMDGNO-MRXNPFEDSA-N -1 1 340.431 2.682 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821668732 1449365550 /nfs/dbraw/zinc/36/55/50/1449365550.db2.gz GHMJVBIBNAZLHO-NYYWCZLTSA-N -1 1 334.335 2.549 20 30 EFEDMM CCNc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825481334 1449398297 /nfs/dbraw/zinc/39/82/97/1449398297.db2.gz WXHXSRREEJRYAI-UHFFFAOYSA-N -1 1 349.398 2.791 20 30 EFEDMM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000825806914 1449453584 /nfs/dbraw/zinc/45/35/84/1449453584.db2.gz JYSKRONJJXDCPC-BQYQJAHWSA-N -1 1 340.362 2.735 20 30 EFEDMM Cc1cc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C)c1 ZINC000826263055 1449520376 /nfs/dbraw/zinc/52/03/76/1449520376.db2.gz JJLFAEOTGUNWOX-UHFFFAOYSA-N -1 1 332.367 2.916 20 30 EFEDMM CC(N=Nc1ccc(C(F)(F)F)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823958327 1449690161 /nfs/dbraw/zinc/69/01/61/1449690161.db2.gz JJBKHDVOSLJZTO-UHFFFAOYSA-N -1 1 348.292 2.512 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(F)ccc1C#N ZINC000826251821 1449766489 /nfs/dbraw/zinc/76/64/89/1449766489.db2.gz CCDSEZXHPCGVIN-UHFFFAOYSA-N -1 1 337.314 2.543 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080854 1449796117 /nfs/dbraw/zinc/79/61/17/1449796117.db2.gz HYJVJHAGEUVDGO-ONNFQVAWSA-N -1 1 349.394 2.837 20 30 EFEDMM C=CCOc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819759277 1449872095 /nfs/dbraw/zinc/87/20/95/1449872095.db2.gz RPTHEQJWNBWPKV-CYBMUJFWSA-N -1 1 349.394 2.923 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@@H]1CCC ZINC000819743936 1449920312 /nfs/dbraw/zinc/92/03/12/1449920312.db2.gz TWCGIRHXPYXOEF-HOCLYGCPSA-N -1 1 340.431 2.753 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(C)c2OC(F)F)o1 ZINC000826323039 1449942841 /nfs/dbraw/zinc/94/28/41/1449942841.db2.gz NDMOZPFIHHJRIU-UHFFFAOYSA-N -1 1 349.301 2.519 20 30 EFEDMM N#Cc1cc(Br)ccc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826383824 1449969143 /nfs/dbraw/zinc/96/91/43/1449969143.db2.gz RWGGYQRMEPTFGF-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM CC(C)(C#N)CCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824058910 1450004391 /nfs/dbraw/zinc/00/43/91/1450004391.db2.gz IPYSRLRPIHXJDY-INIZCTEOSA-N -1 1 340.431 2.570 20 30 EFEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1C1CC1 ZINC000735450286 1450064904 /nfs/dbraw/zinc/06/49/04/1450064904.db2.gz YEMMNVJYCRALFW-UHFFFAOYSA-N -1 1 343.391 2.812 20 30 EFEDMM N#Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737715668 1450098434 /nfs/dbraw/zinc/09/84/34/1450098434.db2.gz DFCRMNYHACJBGD-UHFFFAOYSA-N -1 1 338.758 2.573 20 30 EFEDMM Cc1cc(NCCCC#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271523 1450105905 /nfs/dbraw/zinc/10/59/05/1450105905.db2.gz VUZZHIMNPFIZIX-UHFFFAOYSA-N -1 1 332.371 2.692 20 30 EFEDMM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737589374 1450118367 /nfs/dbraw/zinc/11/83/67/1450118367.db2.gz DAXHEIZYRFSLSI-SREVYHEPSA-N -1 1 349.181 2.803 20 30 EFEDMM C=CCCCN(C)C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735408076 1450125745 /nfs/dbraw/zinc/12/57/45/1450125745.db2.gz FRVYDHXHJOOMJN-INIZCTEOSA-N -1 1 343.431 2.695 20 30 EFEDMM CCC[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825224834 1450295380 /nfs/dbraw/zinc/29/53/80/1450295380.db2.gz CVYFKIAURDJZFT-ZDUSSCGKSA-N -1 1 346.394 2.956 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737704475 1450330799 /nfs/dbraw/zinc/33/07/99/1450330799.db2.gz JAQLNQRNTSWJJQ-JKSUJKDBSA-N -1 1 348.341 2.620 20 30 EFEDMM C=C(C)[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC)OCC ZINC000823873091 1450339128 /nfs/dbraw/zinc/33/91/28/1450339128.db2.gz IBZINJZZRXZPOG-AWEZNQCLSA-N -1 1 346.387 2.542 20 30 EFEDMM Clc1cc(NN=Cc2cccc3nccn32)ccc1-c1nnn[n-]1 ZINC000826351281 1450467626 /nfs/dbraw/zinc/46/76/26/1450467626.db2.gz GRYQTLFGFKPLMB-UHFFFAOYSA-N -1 1 338.762 2.614 20 30 EFEDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400685 1450498478 /nfs/dbraw/zinc/49/84/78/1450498478.db2.gz FDMFEPNCBFELSH-QPJJXVBHSA-N -1 1 339.286 2.810 20 30 EFEDMM COc1ccc2oc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2c1 ZINC000255364587 714736958 /nfs/dbraw/zinc/73/69/58/714736958.db2.gz BOQRPNMBQJUFHQ-IVZVJUQRSA-N -1 1 326.304 2.670 20 30 EFEDMM CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)c1ccccc1O ZINC000972815447 717356419 /nfs/dbraw/zinc/35/64/19/717356419.db2.gz SVNYOSSNZOZKEK-IBGZPJMESA-N -1 1 349.434 2.904 20 30 EFEDMM CN(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])C(C)(C)C#N ZINC000730362112 725854606 /nfs/dbraw/zinc/85/46/06/725854606.db2.gz KUSDBVQVRSFAJA-UHFFFAOYSA-N -1 1 345.182 2.616 20 30 EFEDMM CC(CC12CC3CC(CC(C3)C1)C2)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731155970 726813708 /nfs/dbraw/zinc/81/37/08/726813708.db2.gz XPMFFWSHMFKPIA-UHFFFAOYSA-N -1 1 340.431 2.826 20 30 EFEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC2CCOC2)cc1 ZINC000731926824 726958111 /nfs/dbraw/zinc/95/81/11/726958111.db2.gz RXRQAXRYRHXCJG-UHFFFAOYSA-N -1 1 331.397 2.676 20 30 EFEDMM C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)N(C)CCC#N ZINC000909862605 727392780 /nfs/dbraw/zinc/39/27/80/727392780.db2.gz HYUZTCVCEWEXBT-QMMMGPOBSA-N -1 1 345.182 2.616 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(OCc3ccncc3)cc2)n1 ZINC000915932636 727641254 /nfs/dbraw/zinc/64/12/54/727641254.db2.gz XGILFUPGHQXNSU-UHFFFAOYSA-N -1 1 335.367 2.911 20 30 EFEDMM COc1cccc2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)oc21 ZINC000916136891 727659972 /nfs/dbraw/zinc/65/99/72/727659972.db2.gz BXVHBQPZLGBXHT-MWWKQMNYSA-N -1 1 326.304 2.670 20 30 EFEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCC(=O)[O-])c1 ZINC000916244993 727670733 /nfs/dbraw/zinc/67/07/33/727670733.db2.gz LJRCCVMIWVLUKR-UHFFFAOYSA-N -1 1 329.312 2.894 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)c1 ZINC000916894068 727740643 /nfs/dbraw/zinc/74/06/43/727740643.db2.gz LPBVJYYOUSGFOY-ZDUSSCGKSA-N -1 1 342.376 2.920 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916951387 727748160 /nfs/dbraw/zinc/74/81/60/727748160.db2.gz YZKUSKDELASBLK-ZDUSSCGKSA-N -1 1 342.376 2.920 20 30 EFEDMM C#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000058818420 728230116 /nfs/dbraw/zinc/23/01/16/728230116.db2.gz YKHDIBNHJXKUKG-UHFFFAOYSA-N -1 1 329.377 2.586 20 30 EFEDMM CCN(c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1)C(C)C ZINC000171772889 728551729 /nfs/dbraw/zinc/55/17/29/728551729.db2.gz GMQIPSBKPBDREQ-UHFFFAOYSA-N -1 1 344.440 2.989 20 30 EFEDMM CC#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000174249616 728656839 /nfs/dbraw/zinc/65/68/39/728656839.db2.gz QYOKZKSNVXGJIT-UHFFFAOYSA-N -1 1 329.377 2.668 20 30 EFEDMM CC1(C)CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC000920375609 729177172 /nfs/dbraw/zinc/17/71/72/729177172.db2.gz NATHJZCOXINSPB-UHFFFAOYSA-N -1 1 339.420 2.811 20 30 EFEDMM CCCCCCCCN1C(=O)C(=CN[C@@H](C)CC)C(=O)[N-]C1=S ZINC000920976780 729250090 /nfs/dbraw/zinc/25/00/90/729250090.db2.gz WHIQXMDMZAHFGP-REQDGWNSSA-N -1 1 339.505 2.862 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(C)ccc2OC(F)F)o1 ZINC000822259513 946037604 /nfs/dbraw/zinc/03/76/04/946037604.db2.gz ZYPOQSFMAXNJKD-UHFFFAOYSA-N -1 1 349.301 2.519 20 30 EFEDMM C#CCN(Cc1ccccc1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573283303 946712512 /nfs/dbraw/zinc/71/25/12/946712512.db2.gz RJJKPIYQLRAVBR-UHFFFAOYSA-N -1 1 330.804 2.616 20 30 EFEDMM C#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC001573290804 946910094 /nfs/dbraw/zinc/91/00/94/946910094.db2.gz QECLBNKEXXFGIU-UHFFFAOYSA-N -1 1 329.772 2.815 20 30 EFEDMM C#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC001573290804 946910105 /nfs/dbraw/zinc/91/01/05/946910105.db2.gz QECLBNKEXXFGIU-UHFFFAOYSA-N -1 1 329.772 2.815 20 30 EFEDMM C#CCN(CCCCOc1ccc(Br)cc1)CC(=O)[O-] ZINC001602700972 971324055 /nfs/dbraw/zinc/32/40/55/971324055.db2.gz QHRVFJOAUZVBFX-UHFFFAOYSA-N -1 1 340.217 2.628 20 30 EFEDMM C[C@]1(C(=O)[O-])CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001589189175 956588661 /nfs/dbraw/zinc/58/86/61/956588661.db2.gz WIXLJTFHQKFYPG-OAHLLOKOSA-N -1 1 327.302 2.876 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c(Cl)c1 ZINC000126038107 958578079 /nfs/dbraw/zinc/57/80/79/958578079.db2.gz TZNDEQLVMVTPQH-UHFFFAOYSA-N -1 1 342.785 2.772 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588558021 959076014 /nfs/dbraw/zinc/07/60/14/959076014.db2.gz OAYCIFXYOPAMME-NWDGAFQWSA-N -1 1 349.818 2.725 20 30 EFEDMM O=C([O-])C1(C/N=C/c2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC001605951329 972915103 /nfs/dbraw/zinc/91/51/03/972915103.db2.gz WHKNKSPCTURLGG-REZTVBANSA-N -1 1 332.183 2.999 20 30 EFEDMM N#C[C@H](C(=O)C1(CC(=O)[O-])CCC1)c1cc(C(F)(F)F)ccn1 ZINC001605577039 973854034 /nfs/dbraw/zinc/85/40/34/973854034.db2.gz SRBOFTLTRQZMIQ-JTQLQIEISA-N -1 1 326.274 2.922 20 30 EFEDMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001603609299 973873335 /nfs/dbraw/zinc/87/33/35/973873335.db2.gz HDOJJZDMHMBHIZ-KRWDZBQOSA-N -1 1 349.818 2.727 20 30 EFEDMM C=CCO[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001120361727 983027163 /nfs/dbraw/zinc/02/71/63/983027163.db2.gz BCOHKJBCGPDNSY-CYBMUJFWSA-N -1 1 340.217 2.924 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC001588615360 983711422 /nfs/dbraw/zinc/71/14/22/983711422.db2.gz RLNQAJBYLKIVPW-SFHVURJKSA-N -1 1 344.455 2.921 20 30 EFEDMM C=CC[C@H](C(=O)[O-])N1CCc2c(F)cc(Br)cc2C1 ZINC001588731546 984009454 /nfs/dbraw/zinc/00/94/54/984009454.db2.gz JNVNYZMDTGNOFI-CYBMUJFWSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCCC[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC001588793060 984215552 /nfs/dbraw/zinc/21/55/52/984215552.db2.gz KTJTZAZWVPNPBE-KRWDZBQOSA-N -1 1 339.395 2.786 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001588879708 984458533 /nfs/dbraw/zinc/45/85/33/984458533.db2.gz KFJCIWFFFVQZLW-CQSZACIVSA-N -1 1 348.468 2.586 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001588879708 984458535 /nfs/dbraw/zinc/45/85/35/984458535.db2.gz KFJCIWFFFVQZLW-CQSZACIVSA-N -1 1 348.468 2.586 20 30 EFEDMM CC(=NNc1nnc(C)n1C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589017417 985004018 /nfs/dbraw/zinc/00/40/18/985004018.db2.gz MXAPBAGFDHLXOK-UHFFFAOYSA-N -1 1 344.400 2.576 20 30 EFEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC001589017435 985004335 /nfs/dbraw/zinc/00/43/35/985004335.db2.gz OPEMVOZGVWTKNJ-UHFFFAOYSA-N -1 1 343.314 2.691 20 30 EFEDMM C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599930487 985304922 /nfs/dbraw/zinc/30/49/22/985304922.db2.gz XUMPEOUNMLUBAQ-LIRRHRJNSA-N -1 1 336.391 2.899 20 30 EFEDMM CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001589854962 988393673 /nfs/dbraw/zinc/39/36/73/988393673.db2.gz LFTZQVFKBUCBIO-IBGZPJMESA-N -1 1 344.411 2.810 20 30 EFEDMM CC(C)(C)c1cnc([C@H](C#N)C(=O)CCSCC(=O)[O-])s1 ZINC001590515390 990125195 /nfs/dbraw/zinc/12/51/95/990125195.db2.gz IYLHLMPHTQGFOC-SECBINFHSA-N -1 1 326.443 2.825 20 30 EFEDMM C[C@@H](NCCCOc1ccc(C#N)cc1)c1ncc(C(=O)[O-])s1 ZINC001593266981 994582601 /nfs/dbraw/zinc/58/26/01/994582601.db2.gz IAXYCBHYDKHELP-LLVKDONJSA-N -1 1 331.397 2.833 20 30 EFEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cc2ccccc2s1 ZINC001575439080 1088472879 /nfs/dbraw/zinc/47/28/79/1088472879.db2.gz MFPSDFRWXBKMDC-VIFPVBQESA-N -1 1 348.395 2.916 20 30 EFEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cc2ccccc2s1 ZINC001575439080 1088472883 /nfs/dbraw/zinc/47/28/83/1088472883.db2.gz MFPSDFRWXBKMDC-VIFPVBQESA-N -1 1 348.395 2.916 20 30 EFEDMM Cc1ccccc1[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(C)C ZINC001581252986 1091107468 /nfs/dbraw/zinc/10/74/68/1091107468.db2.gz HLQIMMVTUUUSHB-OAHLLOKOSA-N -1 1 334.387 2.646 20 30 EFEDMM Cc1ccccc1[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(C)C ZINC001581252986 1091107470 /nfs/dbraw/zinc/10/74/70/1091107470.db2.gz HLQIMMVTUUUSHB-OAHLLOKOSA-N -1 1 334.387 2.646 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 ZINC001581726671 1091273099 /nfs/dbraw/zinc/27/30/99/1091273099.db2.gz NKISRMAZRNBIJI-UHFFFAOYSA-N -1 1 342.746 2.570 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1ccc(C#N)c(Cl)c1 ZINC001581726671 1091273103 /nfs/dbraw/zinc/27/31/03/1091273103.db2.gz NKISRMAZRNBIJI-UHFFFAOYSA-N -1 1 342.746 2.570 20 30 EFEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1cc(Cl)cc2ccccc21 ZINC001581860794 1091321812 /nfs/dbraw/zinc/32/18/12/1091321812.db2.gz TYGKXAQUPRWORS-UHFFFAOYSA-N -1 1 335.758 2.790 20 30 EFEDMM N#CCCC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001581858018 1091322044 /nfs/dbraw/zinc/32/20/44/1091322044.db2.gz NUBOLTMJJYIMKB-CQSZACIVSA-N -1 1 336.355 2.625 20 30 EFEDMM N#CCCC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001581858018 1091322051 /nfs/dbraw/zinc/32/20/51/1091322051.db2.gz NUBOLTMJJYIMKB-CQSZACIVSA-N -1 1 336.355 2.625 20 30 EFEDMM N#Cc1ncn(Cc2cc(Cl)cc3ccccc32)c1-c1nn[n-]n1 ZINC001581885473 1091332193 /nfs/dbraw/zinc/33/21/93/1091332193.db2.gz AMOVXWVRZGMRLU-UHFFFAOYSA-N -1 1 335.758 2.790 20 30 EFEDMM N#Cc1ncc(Nc2ccc(OC3CCCC3)cc2)nc1-c1nn[n-]n1 ZINC001581885339 1091332428 /nfs/dbraw/zinc/33/24/28/1091332428.db2.gz WZVDPBBQJPHOPM-UHFFFAOYSA-N -1 1 348.370 2.593 20 30 EFEDMM Cc1cc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c(C)n1C(C)C ZINC001649691314 1092584539 /nfs/dbraw/zinc/58/45/39/1092584539.db2.gz YZLQISLMMRHNLS-UHFFFAOYSA-N -1 1 345.424 2.565 20 30 EFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001649731638 1092632461 /nfs/dbraw/zinc/63/24/61/1092632461.db2.gz FNLNFWNPWZIFBT-MGPQQGTHSA-N -1 1 346.452 2.858 20 30 EFEDMM O=S1(=O)[N-]/C(=N/C[C@@H]2CCCCC(F)(F)C2)c2ccccc21 ZINC001649815354 1092703031 /nfs/dbraw/zinc/70/30/31/1092703031.db2.gz SESYICFWDCSRJT-LLVKDONJSA-N -1 1 328.384 2.941 20 30 EFEDMM C#CC[C@H](Cc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588333932 1092929145 /nfs/dbraw/zinc/92/91/45/1092929145.db2.gz IWSWRCCXLCPSNQ-CQSZACIVSA-N -1 1 336.351 2.560 20 30 EFEDMM C#CC[C@H](Cc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588333932 1092929155 /nfs/dbraw/zinc/92/91/55/1092929155.db2.gz IWSWRCCXLCPSNQ-CQSZACIVSA-N -1 1 336.351 2.560 20 30 EFEDMM C#CCOc1cccc(Oc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001588363115 1092932430 /nfs/dbraw/zinc/93/24/30/1092932430.db2.gz LGIQFEULZIVAIY-UHFFFAOYSA-N -1 1 337.295 2.579 20 30 EFEDMM C#CCOc1cccc(Oc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC001588363115 1092932437 /nfs/dbraw/zinc/93/24/37/1092932437.db2.gz LGIQFEULZIVAIY-UHFFFAOYSA-N -1 1 337.295 2.579 20 30 EFEDMM C(=NNc1cccc2c1CCCC2)c1nc(-c2nnn[n-]2)cs1 ZINC001588381886 1092937628 /nfs/dbraw/zinc/93/76/28/1092937628.db2.gz VVPVHQXMUBZEDW-UHFFFAOYSA-N -1 1 325.401 2.648 20 30 EFEDMM C(=NNc1cccc2c1CCCC2)c1nc(-c2nn[n-]n2)cs1 ZINC001588381886 1092937635 /nfs/dbraw/zinc/93/76/35/1092937635.db2.gz VVPVHQXMUBZEDW-UHFFFAOYSA-N -1 1 325.401 2.648 20 30 EFEDMM C=CC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588539610 1092956463 /nfs/dbraw/zinc/95/64/63/1092956463.db2.gz RIAWLGOKVALBKJ-JTQLQIEISA-N -1 1 327.344 2.680 20 30 EFEDMM C=CC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588539610 1092956472 /nfs/dbraw/zinc/95/64/72/1092956472.db2.gz RIAWLGOKVALBKJ-JTQLQIEISA-N -1 1 327.344 2.680 20 30 EFEDMM C=CCC[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001588581991 1092964890 /nfs/dbraw/zinc/96/48/90/1092964890.db2.gz CXXOOPHAHWPHHJ-GFCCVEGCSA-N -1 1 336.399 2.919 20 30 EFEDMM C=CCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588593889 1092967494 /nfs/dbraw/zinc/96/74/94/1092967494.db2.gz KNPVHFAZAQGOCA-UHFFFAOYSA-N -1 1 334.811 2.781 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(OC(F)F)c2)o1 ZINC001588781298 1092992866 /nfs/dbraw/zinc/99/28/66/1092992866.db2.gz SLTKIVUYLKPQAR-UHFFFAOYSA-N -1 1 349.301 2.601 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H]3C=C[C@@H]2CC3)o1 ZINC001589238234 1093054910 /nfs/dbraw/zinc/05/49/10/1093054910.db2.gz PHBJHWUZZRSOFP-VHSXEESVSA-N -1 1 327.392 2.906 20 30 EFEDMM CC(C)(C)c1csc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C#N ZINC001589237745 1093056369 /nfs/dbraw/zinc/05/63/69/1093056369.db2.gz YPXAXXWMKDQZRH-UHFFFAOYSA-N -1 1 342.384 2.943 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC(F)(F)C2)o1 ZINC001589237681 1093056509 /nfs/dbraw/zinc/05/65/09/1093056509.db2.gz CODYBXXLXMVYGR-QMMMGPOBSA-N -1 1 339.350 2.985 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCOC23CCCC3)o1 ZINC001589664841 1093123092 /nfs/dbraw/zinc/12/30/92/1093123092.db2.gz YYIGNGZVZKKTKZ-UHFFFAOYSA-N -1 1 345.407 2.554 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2cccc(F)c2)o1 ZINC001589835731 1093156247 /nfs/dbraw/zinc/15/62/47/1093156247.db2.gz DTVBNVFNCCPASP-UHFFFAOYSA-N -1 1 329.339 2.723 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2cccc(C)c2)o1 ZINC001589836612 1093159464 /nfs/dbraw/zinc/15/94/64/1093159464.db2.gz MRGMZFMTSVGLIE-UHFFFAOYSA-N -1 1 325.376 2.892 20 30 EFEDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589983225 1093209317 /nfs/dbraw/zinc/20/93/17/1093209317.db2.gz CHQNQRVLEPIGGV-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589983225 1093209321 /nfs/dbraw/zinc/20/93/21/1093209321.db2.gz CHQNQRVLEPIGGV-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1csc2ccccc12 ZINC001589986447 1093211943 /nfs/dbraw/zinc/21/19/43/1093211943.db2.gz IIJWNNPWNFPKLA-VIFPVBQESA-N -1 1 348.395 2.916 20 30 EFEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1csc2ccccc12 ZINC001589986447 1093211949 /nfs/dbraw/zinc/21/19/49/1093211949.db2.gz IIJWNNPWNFPKLA-VIFPVBQESA-N -1 1 348.395 2.916 20 30 EFEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccncc1 ZINC001590359144 1093390705 /nfs/dbraw/zinc/39/07/05/1093390705.db2.gz PCAMRNYNPMBLOJ-UHFFFAOYSA-N -1 1 326.364 2.599 20 30 EFEDMM CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1C ZINC001650601826 1093460900 /nfs/dbraw/zinc/46/09/00/1093460900.db2.gz JPNATBHOCWOARF-IPJQOSJUSA-N -1 1 344.411 2.702 20 30 EFEDMM CCC[C@@H]1CCCC[C@@H]1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590569293 1093492726 /nfs/dbraw/zinc/49/27/26/1093492726.db2.gz KLOYVBSNFOFYOE-VXGBXAGGSA-N -1 1 326.408 2.547 20 30 EFEDMM CCCCCC[C@@](C)(CC)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590590027 1093502253 /nfs/dbraw/zinc/50/22/53/1093502253.db2.gz MBIGMIDRKFBIRP-MRXNPFEDSA-N -1 1 344.423 2.787 20 30 EFEDMM CCCCCCC[C@H](C)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590592804 1093503217 /nfs/dbraw/zinc/50/32/17/1093503217.db2.gz KMOPDFDYSKZTGV-LBPRGKRZSA-N -1 1 328.424 2.937 20 30 EFEDMM CCCCCCCCNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590592549 1093503578 /nfs/dbraw/zinc/50/35/78/1093503578.db2.gz YCKSSJQSLJWHSF-UHFFFAOYSA-N -1 1 343.478 2.567 20 30 EFEDMM CCCCCCCCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590592864 1093506850 /nfs/dbraw/zinc/50/68/50/1093506850.db2.gz NEVHFMKFWBVELF-UHFFFAOYSA-N -1 1 330.396 2.541 20 30 EFEDMM CCCn1cccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001590664010 1093536523 /nfs/dbraw/zinc/53/65/23/1093536523.db2.gz IWWDQTHVEFZBOK-UHFFFAOYSA-N -1 1 342.407 2.810 20 30 EFEDMM COCc1csc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC001591459646 1093730020 /nfs/dbraw/zinc/73/00/20/1093730020.db2.gz QXHVRPJCDXUPGY-UHFFFAOYSA-N -1 1 347.404 2.632 20 30 EFEDMM COc1cc(C=CC(=O)c2cc(C)ccc2[O-])ccc1-c1nn[nH]n1 ZINC001591522975 1093751100 /nfs/dbraw/zinc/75/11/00/1093751100.db2.gz NVNWWIBEYSOKBA-VMPITWQZSA-N -1 1 336.351 2.785 20 30 EFEDMM COc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1C ZINC001591523720 1093752355 /nfs/dbraw/zinc/75/23/55/1093752355.db2.gz ZRYJVKAUTOUTIY-UHFFFAOYSA-N -1 1 341.375 2.741 20 30 EFEDMM COc1cc(Oc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])ccc1C#N ZINC001591553371 1093767098 /nfs/dbraw/zinc/76/70/98/1093767098.db2.gz FCEHZRGMXOOQPS-UHFFFAOYSA-N -1 1 344.312 2.509 20 30 EFEDMM COc1cc(Oc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])ccc1C#N ZINC001591553371 1093767111 /nfs/dbraw/zinc/76/71/11/1093767111.db2.gz FCEHZRGMXOOQPS-UHFFFAOYSA-N -1 1 344.312 2.509 20 30 EFEDMM COc1cc(Oc2cc(C)cc(F)c2-c2nnn[n-]2)ccc1C#N ZINC001591553576 1093767481 /nfs/dbraw/zinc/76/74/81/1093767481.db2.gz JVKVSMXPHXBCKU-UHFFFAOYSA-N -1 1 325.303 2.987 20 30 EFEDMM COc1cc(Oc2cc(C)cc(F)c2-c2nn[n-]n2)ccc1C#N ZINC001591553576 1093767488 /nfs/dbraw/zinc/76/74/88/1093767488.db2.gz JVKVSMXPHXBCKU-UHFFFAOYSA-N -1 1 325.303 2.987 20 30 EFEDMM COc1ccc(C)cc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001591576550 1093777302 /nfs/dbraw/zinc/77/73/02/1093777302.db2.gz NAKHNHCWIWBLFO-UHFFFAOYSA-N -1 1 341.375 2.741 20 30 EFEDMM COc1ccc2c(c1)CCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591625795 1093804236 /nfs/dbraw/zinc/80/42/36/1093804236.db2.gz BENXYLFGMAQAIE-YFHOEESVSA-N -1 1 339.380 2.544 20 30 EFEDMM COc1ccc2c(c1)CCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591625795 1093804243 /nfs/dbraw/zinc/80/42/43/1093804243.db2.gz BENXYLFGMAQAIE-YFHOEESVSA-N -1 1 339.380 2.544 20 30 EFEDMM CSc1ccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001591706812 1093835066 /nfs/dbraw/zinc/83/50/66/1093835066.db2.gz NBVQBXFYFCWGFS-VOTSOKGWSA-N -1 1 329.410 2.941 20 30 EFEDMM CSc1ccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001591706812 1093835068 /nfs/dbraw/zinc/83/50/68/1093835068.db2.gz NBVQBXFYFCWGFS-VOTSOKGWSA-N -1 1 329.410 2.941 20 30 EFEDMM Cc1cc(C)c2c(c1)OCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591949914 1093928564 /nfs/dbraw/zinc/92/85/64/1093928564.db2.gz HJUNCUDWDXASJS-BJMVGYQFSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1cc(C)c2c(c1)OCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591949914 1093928566 /nfs/dbraw/zinc/92/85/66/1093928566.db2.gz HJUNCUDWDXASJS-BJMVGYQFSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(C)n1C ZINC001591958409 1093933181 /nfs/dbraw/zinc/93/31/81/1093933181.db2.gz CUBXCOXQMZHAOH-UHFFFAOYSA-N -1 1 342.407 2.554 20 30 EFEDMM Cc1cc(F)c(C#N)cc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591985890 1093948092 /nfs/dbraw/zinc/94/80/92/1093948092.db2.gz CSQSIYFSVDJXCH-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM Cc1cc(F)c(C#N)cc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591985890 1093948096 /nfs/dbraw/zinc/94/80/96/1093948096.db2.gz CSQSIYFSVDJXCH-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC001592068750 1093973184 /nfs/dbraw/zinc/97/31/84/1093973184.db2.gz OWQZNGAFIRHHPE-UHFFFAOYSA-N -1 1 329.345 2.591 20 30 EFEDMM Cc1ccc([C@@H](C)C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001592135934 1093992787 /nfs/dbraw/zinc/99/27/87/1093992787.db2.gz ZBVZOWWMHIALJK-ZDUSSCGKSA-N -1 1 336.399 2.591 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1c(C)ccc2ccccc21 ZINC001592205862 1094030905 /nfs/dbraw/zinc/03/09/05/1094030905.db2.gz BHAGPQRTXFWKGS-UHFFFAOYSA-N -1 1 329.367 2.753 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C(F)(F)F)s2)o1 ZINC001592338579 1094081134 /nfs/dbraw/zinc/08/11/34/1094081134.db2.gz IHDIQHKVZAKXPX-UHFFFAOYSA-N -1 1 343.294 2.689 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)c2cccc(C#N)c2)n1 ZINC001592353584 1094084488 /nfs/dbraw/zinc/08/44/88/1094084488.db2.gz DLGMBHDTZSHJFA-JTQLQIEISA-N -1 1 337.412 2.999 20 30 EFEDMM Cc1nnc(Oc2ccc(C#N)cc2Cl)c(-c2nnn[n-]2)c1C ZINC001592449928 1094106399 /nfs/dbraw/zinc/10/63/99/1094106399.db2.gz TUMOQMXGXSALKW-UHFFFAOYSA-N -1 1 327.735 2.591 20 30 EFEDMM Cc1nnc(Oc2ccc(C#N)cc2Cl)c(-c2nn[n-]n2)c1C ZINC001592449928 1094106401 /nfs/dbraw/zinc/10/64/01/1094106401.db2.gz TUMOQMXGXSALKW-UHFFFAOYSA-N -1 1 327.735 2.591 20 30 EFEDMM Clc1cccc(CNN=Cc2ccc(-c3nnn[n-]3)o2)c1Cl ZINC001592534700 1094129636 /nfs/dbraw/zinc/12/96/36/1094129636.db2.gz RNUHBDIEAGUIPE-UHFFFAOYSA-N -1 1 337.170 2.890 20 30 EFEDMM Clc1cccc(CNN=Cc2ccc(-c3nn[n-]n3)o2)c1Cl ZINC001592534700 1094129638 /nfs/dbraw/zinc/12/96/38/1094129638.db2.gz RNUHBDIEAGUIPE-UHFFFAOYSA-N -1 1 337.170 2.890 20 30 EFEDMM N#CC1(c2ccc(CNc3n[nH]c(C4CC4)c3-c3nnn[n-]3)cc2)CC1 ZINC001592671733 1094175221 /nfs/dbraw/zinc/17/52/21/1094175221.db2.gz VUEGTIXSMHXRRL-UHFFFAOYSA-N -1 1 346.398 2.634 20 30 EFEDMM N#CC1(c2ccc(CNc3n[nH]c(C4CC4)c3-c3nn[n-]n3)cc2)CC1 ZINC001592671733 1094175227 /nfs/dbraw/zinc/17/52/27/1094175227.db2.gz VUEGTIXSMHXRRL-UHFFFAOYSA-N -1 1 346.398 2.634 20 30 EFEDMM N#CC1CCC(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001592672051 1094175429 /nfs/dbraw/zinc/17/54/29/1094175429.db2.gz BFYZGESZOPBNHU-UHFFFAOYSA-N -1 1 327.348 2.517 20 30 EFEDMM N#CC1CCC(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001592672051 1094175435 /nfs/dbraw/zinc/17/54/35/1094175435.db2.gz BFYZGESZOPBNHU-UHFFFAOYSA-N -1 1 327.348 2.517 20 30 EFEDMM N#Cc1ccc(COc2ccc(F)nc2-c2nn[n-]n2)c(Cl)c1 ZINC001592694199 1094179200 /nfs/dbraw/zinc/17/92/00/1094179200.db2.gz OJGVAWSGGHWBSY-UHFFFAOYSA-N -1 1 330.710 2.505 20 30 EFEDMM N#Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1F ZINC001592694189 1094179528 /nfs/dbraw/zinc/17/95/28/1094179528.db2.gz OESTWHWOZFFIJQ-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM N#Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1F ZINC001592694189 1094179532 /nfs/dbraw/zinc/17/95/32/1094179532.db2.gz OESTWHWOZFFIJQ-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c(F)c1 ZINC001592697147 1094180064 /nfs/dbraw/zinc/18/00/64/1094180064.db2.gz FEZYTARANDTGER-UHFFFAOYSA-N -1 1 348.344 2.998 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c(F)c1 ZINC001592697147 1094180067 /nfs/dbraw/zinc/18/00/67/1094180067.db2.gz FEZYTARANDTGER-UHFFFAOYSA-N -1 1 348.344 2.998 20 30 EFEDMM N#Cc1nc(Sc2ccc3c(c2)CCCC3)cnc1-c1nn[n-]n1 ZINC001592707706 1094182645 /nfs/dbraw/zinc/18/26/45/1094182645.db2.gz WSDDYGCPCGPAAD-UHFFFAOYSA-N -1 1 335.396 2.558 20 30 EFEDMM N#Cc1nc(N[C@H](c2ccccc2)C2CCCC2)cnc1-c1nnn[n-]1 ZINC001592708049 1094182826 /nfs/dbraw/zinc/18/28/26/1094182826.db2.gz RAKBTWNEJAGSTC-MRXNPFEDSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1nc(N[C@H](c2ccccc2)C2CCCC2)cnc1-c1nn[n-]n1 ZINC001592708049 1094182830 /nfs/dbraw/zinc/18/28/30/1094182830.db2.gz RAKBTWNEJAGSTC-MRXNPFEDSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1nc(S[C@@H]2CCCc3ccccc32)cnc1-c1nn[n-]n1 ZINC001592707425 1094183084 /nfs/dbraw/zinc/18/30/84/1094183084.db2.gz CNBUOXBUBAOJEW-CYBMUJFWSA-N -1 1 335.396 2.698 20 30 EFEDMM N#Cc1cccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)c1 ZINC001592701496 1094183115 /nfs/dbraw/zinc/18/31/15/1094183115.db2.gz ATFOMILRQJLURU-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM N#Cc1cccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)c1 ZINC001592701496 1094183118 /nfs/dbraw/zinc/18/31/18/1094183118.db2.gz ATFOMILRQJLURU-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1cc2c(s1)CCC2 ZINC001592804180 1094191965 /nfs/dbraw/zinc/19/19/65/1094191965.db2.gz VNXKFHUKMZXFFL-PLNGDYQASA-N -1 1 329.410 2.770 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1cc2c(s1)CCC2 ZINC001592804180 1094191967 /nfs/dbraw/zinc/19/19/67/1094191967.db2.gz VNXKFHUKMZXFFL-PLNGDYQASA-N -1 1 329.410 2.770 20 30 EFEDMM Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)oc1C(=O)[O-] ZINC001600209167 1094886487 /nfs/dbraw/zinc/88/64/87/1094886487.db2.gz CTDFFJFJIGDXCV-UHFFFAOYSA-N -1 1 327.384 2.926 20 30 EFEDMM Cc1ccc(C(=O)[O-])cc1NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC001600356252 1094995741 /nfs/dbraw/zinc/99/57/41/1094995741.db2.gz YSPDRPJSYOLTPL-UHFFFAOYSA-N -1 1 349.390 2.782 20 30 EFEDMM N#CC(C(=O)c1cccc(OCC(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC001601046844 1095478006 /nfs/dbraw/zinc/47/80/06/1095478006.db2.gz DQKOCTGXCRWEGX-ZDUSSCGKSA-N -1 1 342.376 2.974 20 30 EFEDMM N#CC(C(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC001601047290 1095478381 /nfs/dbraw/zinc/47/83/81/1095478381.db2.gz LZLNTPGIPZAORR-NSHDSACASA-N -1 1 338.348 2.721 20 30 EFEDMM N#C[C@]1(c2ccccn2)CCCN(C[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001601059323 1095486163 /nfs/dbraw/zinc/48/61/63/1095486163.db2.gz XLCJFOITKVMOAE-GPMSIDNRSA-N -1 1 327.428 2.830 20 30 EFEDMM N#CCOc1ccc(Cl)cc1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001601074342 1095491020 /nfs/dbraw/zinc/49/10/20/1095491020.db2.gz SUXHBHDDIVHRFB-MRXNPFEDSA-N -1 1 346.770 2.863 20 30 EFEDMM N#Cc1ccc([C@@H](NCc2cc(OCC(F)F)ccn2)C(=O)[O-])cc1 ZINC001601096812 1095508599 /nfs/dbraw/zinc/50/85/99/1095508599.db2.gz NAFYBWCLCNZPQM-MRXNPFEDSA-N -1 1 347.321 2.513 20 30 EFEDMM N#Cc1ccc(C2(N[C@H]3CCCn4nc(C(=O)[O-])cc43)CCC2)cc1 ZINC001601097718 1095509707 /nfs/dbraw/zinc/50/97/07/1095509707.db2.gz MCEXZDXFCRQMNK-HNNXBMFYSA-N -1 1 336.395 2.957 20 30 EFEDMM N#Cc1ccc([C@@H](Sc2nc(-c3ccccn3)n[nH]2)C(=O)[O-])cc1 ZINC001601099296 1095512018 /nfs/dbraw/zinc/51/20/18/1095512018.db2.gz LPAUSGFOYDPYHP-CYBMUJFWSA-N -1 1 337.364 2.656 20 30 EFEDMM N#Cc1ccc(N2CCN(CC3(CC(=O)[O-])CC3)CC2)c(Cl)c1 ZINC001601106222 1095514666 /nfs/dbraw/zinc/51/46/66/1095514666.db2.gz RIRVDCIYRDZJNR-UHFFFAOYSA-N -1 1 333.819 2.589 20 30 EFEDMM N#Cc1cccc([C@@H](OC(=O)c2ccc(O)c(Cl)c2)C(=O)[O-])c1 ZINC001601117388 1095521350 /nfs/dbraw/zinc/52/13/50/1095521350.db2.gz JVWRTAHCXBGGEX-CQSZACIVSA-N -1 1 331.711 2.900 20 30 EFEDMM N#Cc1cccc([C@@H](NCc2cc(OCC(F)F)ccn2)C(=O)[O-])c1 ZINC001601118633 1095523915 /nfs/dbraw/zinc/52/39/15/1095523915.db2.gz LRZKHAKISCHSIV-MRXNPFEDSA-N -1 1 347.321 2.513 20 30 EFEDMM N#Cc1ccccc1OCCN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001601126805 1095531432 /nfs/dbraw/zinc/53/14/32/1095531432.db2.gz PKTMWMGLGWAPLM-UHFFFAOYSA-N -1 1 341.367 2.503 20 30 EFEDMM N#Cc1cnc(Cl)c(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001601130176 1095532550 /nfs/dbraw/zinc/53/25/50/1095532550.db2.gz LFBLBSIIUHFFOT-HZPDHXFCSA-N -1 1 341.798 2.907 20 30 EFEDMM O=C([O-])c1cnc([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)s1 ZINC001602514286 1096276861 /nfs/dbraw/zinc/27/68/61/1096276861.db2.gz ZIERBYSFUITFHU-CYBMUJFWSA-N -1 1 330.384 2.821 20 30 EFEDMM C#CC[C@@H]1CCCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001602699497 1096352653 /nfs/dbraw/zinc/35/26/53/1096352653.db2.gz HKWAQJKAHQFMRC-SNVBAGLBSA-N -1 1 336.321 2.520 20 30 EFEDMM C#CC[C@@H]1CCCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001602699497 1096352660 /nfs/dbraw/zinc/35/26/60/1096352660.db2.gz HKWAQJKAHQFMRC-SNVBAGLBSA-N -1 1 336.321 2.520 20 30 EFEDMM C#CCCCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001602706197 1096354536 /nfs/dbraw/zinc/35/45/36/1096354536.db2.gz NGMJZZHXWRFDNM-UHFFFAOYSA-N -1 1 339.277 2.507 20 30 EFEDMM C#CCCCCC(=O)N(CCC)c1snc(C)c1-c1nnn[n-]1 ZINC001602705946 1096355241 /nfs/dbraw/zinc/35/52/41/1096355241.db2.gz IHVRWQCOZXNCOD-UHFFFAOYSA-N -1 1 332.433 2.568 20 30 EFEDMM C#CCCCCC(=O)N(CCC)c1snc(C)c1-c1nn[n-]n1 ZINC001602705946 1096355249 /nfs/dbraw/zinc/35/52/49/1096355249.db2.gz IHVRWQCOZXNCOD-UHFFFAOYSA-N -1 1 332.433 2.568 20 30 EFEDMM C#CCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC001602716775 1096356842 /nfs/dbraw/zinc/35/68/42/1096356842.db2.gz PJKMKCAJTWCCDT-MRXNPFEDSA-N -1 1 347.378 2.613 20 30 EFEDMM C#CCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC001602716775 1096356855 /nfs/dbraw/zinc/35/68/55/1096356855.db2.gz PJKMKCAJTWCCDT-MRXNPFEDSA-N -1 1 347.378 2.613 20 30 EFEDMM C=C(C)Cn1c(-c2ccc(Cl)s2)ccc(-c2nn[n-]n2)c1=O ZINC001602763282 1096365604 /nfs/dbraw/zinc/36/56/04/1096365604.db2.gz HHYLLBRTVVCNAV-UHFFFAOYSA-N -1 1 333.804 2.986 20 30 EFEDMM C=CC[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC001602808020 1096373288 /nfs/dbraw/zinc/37/32/88/1096373288.db2.gz VSHLAHABSKXORW-AWEZNQCLSA-N -1 1 335.367 2.871 20 30 EFEDMM C=CC[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC001602808021 1096373531 /nfs/dbraw/zinc/37/35/31/1096373531.db2.gz VSHLAHABSKXORW-CQSZACIVSA-N -1 1 335.367 2.871 20 30 EFEDMM C=CC[C@H]1CCCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001602823905 1096377786 /nfs/dbraw/zinc/37/77/86/1096377786.db2.gz NGJITPNKPMIIMS-JTQLQIEISA-N -1 1 333.342 2.573 20 30 EFEDMM C=CC[C@H]1CCCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001602823905 1096377794 /nfs/dbraw/zinc/37/77/94/1096377794.db2.gz NGJITPNKPMIIMS-JTQLQIEISA-N -1 1 333.342 2.573 20 30 EFEDMM C=CCC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001602833411 1096380102 /nfs/dbraw/zinc/38/01/02/1096380102.db2.gz LZEHVPFRZJUVEY-CQSZACIVSA-N -1 1 334.383 2.950 20 30 EFEDMM C=CCC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001602833411 1096380108 /nfs/dbraw/zinc/38/01/08/1096380108.db2.gz LZEHVPFRZJUVEY-CQSZACIVSA-N -1 1 334.383 2.950 20 30 EFEDMM C=CCCN(Cc1nc(-c2nnn[n-]2)cs1)OCc1ccccc1 ZINC001602841047 1096382111 /nfs/dbraw/zinc/38/21/11/1096382111.db2.gz LPXWOVMISLNNEJ-UHFFFAOYSA-N -1 1 342.428 2.833 20 30 EFEDMM C=CCCN(Cc1nc(-c2nn[n-]n2)cs1)OCc1ccccc1 ZINC001602841047 1096382119 /nfs/dbraw/zinc/38/21/19/1096382119.db2.gz LPXWOVMISLNNEJ-UHFFFAOYSA-N -1 1 342.428 2.833 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2F)o1 ZINC001602911946 1096399815 /nfs/dbraw/zinc/39/98/15/1096399815.db2.gz KUAWJCIYSLJZLU-UHFFFAOYSA-N -1 1 329.339 2.953 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2C#N)o1 ZINC001602912219 1096400137 /nfs/dbraw/zinc/40/01/37/1096400137.db2.gz OIKCPRZVOMBCMD-UHFFFAOYSA-N -1 1 336.359 2.686 20 30 EFEDMM CC(C)(C)c1ccc2c(c1)CCN2c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603117813 1096449544 /nfs/dbraw/zinc/44/95/44/1096449544.db2.gz JXFQMCGUGFCMDM-UHFFFAOYSA-N -1 1 346.398 2.520 20 30 EFEDMM CC(C)(C)c1ccc2c(c1)CCN2c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603117813 1096449549 /nfs/dbraw/zinc/44/95/49/1096449549.db2.gz JXFQMCGUGFCMDM-UHFFFAOYSA-N -1 1 346.398 2.520 20 30 EFEDMM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001603125050 1096453522 /nfs/dbraw/zinc/45/35/22/1096453522.db2.gz BMNQNAAALPMECP-SNAWJCMRSA-N -1 1 340.412 2.912 20 30 EFEDMM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001603125050 1096453525 /nfs/dbraw/zinc/45/35/25/1096453525.db2.gz BMNQNAAALPMECP-SNAWJCMRSA-N -1 1 340.412 2.912 20 30 EFEDMM C[C@H](CCC1CCCCC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603468061 1096534233 /nfs/dbraw/zinc/53/42/33/1096534233.db2.gz VGHWRLDCUOGBQJ-LLVKDONJSA-N -1 1 326.408 2.689 20 30 EFEDMM C[C@H](CCC1CCCCC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603468061 1096534238 /nfs/dbraw/zinc/53/42/38/1096534238.db2.gz VGHWRLDCUOGBQJ-LLVKDONJSA-N -1 1 326.408 2.689 20 30 EFEDMM C[C@@H](CCC1CCCCC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603466030 1096535367 /nfs/dbraw/zinc/53/53/67/1096535367.db2.gz HJWJLLGHZBTOKM-NSHDSACASA-N -1 1 326.408 2.689 20 30 EFEDMM CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001603966212 1096684237 /nfs/dbraw/zinc/68/42/37/1096684237.db2.gz XCLAGLQCXCRWQN-UHFFFAOYSA-N -1 1 333.302 2.668 20 30 EFEDMM CCc1cc(C#N)ccc1OC(=O)c1sccc1-c1nn[n-]n1 ZINC001604511286 1096886811 /nfs/dbraw/zinc/88/68/11/1096886811.db2.gz WIZLPKVJIFLLFE-UHFFFAOYSA-N -1 1 325.353 2.581 20 30 EFEDMM COCCC1(CN=Nc2oc(C)nc2-c2nn[n-]n2)CCCCC1 ZINC001605080086 1097018198 /nfs/dbraw/zinc/01/81/98/1097018198.db2.gz WPDUYVGJGJAOCL-UHFFFAOYSA-N -1 1 333.396 2.548 20 30 EFEDMM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC001605224322 1097059317 /nfs/dbraw/zinc/05/93/17/1097059317.db2.gz NWHLHOQKMLBQEL-UHFFFAOYSA-N -1 1 332.364 2.912 20 30 EFEDMM CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001605819065 1097236687 /nfs/dbraw/zinc/23/66/87/1097236687.db2.gz PGKFVEHNODWVHM-LBPRGKRZSA-N -1 1 326.308 2.501 20 30 EFEDMM Cc1cccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1F ZINC001605913275 1097274955 /nfs/dbraw/zinc/27/49/55/1097274955.db2.gz BJUWYQHLTLUXQP-UHFFFAOYSA-N -1 1 343.366 2.947 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC=CCc2ccc(F)cc2F)o1 ZINC001606020397 1097300185 /nfs/dbraw/zinc/30/01/85/1097300185.db2.gz WRPVIHIITPXCLE-DDWFUMEVSA-N -1 1 331.286 2.552 20 30 EFEDMM N#Cc1cc(C#N)cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167936217 1097351735 /nfs/dbraw/zinc/35/17/35/1097351735.db2.gz JDKONZFGVOHTJK-UHFFFAOYSA-N -1 1 339.291 2.515 20 30 EFEDMM CN1CCN(c2ccc(/C=C/C(=O)c3cc(C(=O)[O-])co3)cc2)CC1 ZINC001606245291 1097357047 /nfs/dbraw/zinc/35/70/47/1097357047.db2.gz AWYVSGCTVDWIDX-QPJJXVBHSA-N -1 1 340.379 2.626 20 30 EFEDMM N#CC1(CCCCOC(=O)c2sccc2-c2nn[n-]n2)CCC1 ZINC001606343994 1097389438 /nfs/dbraw/zinc/38/94/38/1097389438.db2.gz VYTHSMYKEZIBCO-UHFFFAOYSA-N -1 1 331.401 2.949 20 30 EFEDMM N#CC1(CNc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCCC1 ZINC001606343316 1097389811 /nfs/dbraw/zinc/38/98/11/1097389811.db2.gz MDRMIMLUCRHPPH-UHFFFAOYSA-N -1 1 334.387 2.548 20 30 EFEDMM N#CCc1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001606351895 1097391133 /nfs/dbraw/zinc/39/11/33/1097391133.db2.gz YDPLYCYWBNSQDR-UHFFFAOYSA-N -1 1 341.356 2.515 20 30 EFEDMM N#CCc1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001606351895 1097391138 /nfs/dbraw/zinc/39/11/38/1097391138.db2.gz YDPLYCYWBNSQDR-UHFFFAOYSA-N -1 1 341.356 2.515 20 30 EFEDMM N#Cc1ccc(Br)cc1Oc1cccc(-c2nnn[n-]2)n1 ZINC001606364112 1097394372 /nfs/dbraw/zinc/39/43/72/1097394372.db2.gz VTSCJLCSZLNRGJ-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1ccc(Br)cc1Oc1cccc(-c2nn[n-]n2)n1 ZINC001606364112 1097394376 /nfs/dbraw/zinc/39/43/76/1097394376.db2.gz VTSCJLCSZLNRGJ-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1nc(SCc2ccccc2C2CC2)cnc1-c1nn[n-]n1 ZINC001606397119 1097398044 /nfs/dbraw/zinc/39/80/44/1097398044.db2.gz HQHMKUAIQBPDQX-UHFFFAOYSA-N -1 1 335.396 2.698 20 30 EFEDMM N#Cc1ncc(N[C@H]2CCC[C@@H](c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001606398042 1097398167 /nfs/dbraw/zinc/39/81/67/1097398167.db2.gz ISHHWQOVIMHOCW-KGLIPLIRSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1nc(Oc2ccc(C3CC3)cc2Cl)cnc1-c1nn[n-]n1 ZINC001606397532 1097398226 /nfs/dbraw/zinc/39/82/26/1097398226.db2.gz SIFKFWPZYKQAFP-UHFFFAOYSA-N -1 1 339.746 2.851 20 30 EFEDMM N#Cc1ncc(N[C@H]2CCC[C@H](c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001606398041 1097398490 /nfs/dbraw/zinc/39/84/90/1097398490.db2.gz ISHHWQOVIMHOCW-KBPBESRZSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1ncc(SCc2ccccc2C2CC2)nc1-c1nn[n-]n1 ZINC001606398251 1097398767 /nfs/dbraw/zinc/39/87/67/1097398767.db2.gz SUURKOYNUZFBJH-UHFFFAOYSA-N -1 1 335.396 2.698 20 30 EFEDMM Cc1c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)ccc2cncn21 ZINC001607526779 1097651916 /nfs/dbraw/zinc/65/19/16/1097651916.db2.gz XJCQCBXVKWSBHG-UHFFFAOYSA-N -1 1 335.319 2.570 20 30 EFEDMM Cc1csc([C@@H]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)n1 ZINC001607930146 1097779916 /nfs/dbraw/zinc/77/99/16/1097779916.db2.gz RPORYFIDDSDJBK-CABCVRRESA-N -1 1 327.409 2.938 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN2CC[C@H](C)C[C@H]2C(=O)[O-])c1C#N ZINC001607995434 1097799311 /nfs/dbraw/zinc/79/93/11/1097799311.db2.gz LUIHMRBNWHXIGK-GUYCJALGSA-N -1 1 338.411 2.738 20 30 EFEDMM N#CC1(C(=O)[O-])CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC001608174423 1097852273 /nfs/dbraw/zinc/85/22/73/1097852273.db2.gz NTAIZIVBFITXGU-UHFFFAOYSA-N -1 1 342.317 2.818 20 30 EFEDMM N#Cc1cccc([C@@H](N[C@@H](CO)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001608216259 1097866201 /nfs/dbraw/zinc/86/62/01/1097866201.db2.gz XXXBIIFNUNTZJB-JKSUJKDBSA-N -1 1 330.771 2.661 20 30 EFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cccc(O)c1 ZINC001609061215 1098125636 /nfs/dbraw/zinc/12/56/36/1098125636.db2.gz MRDNAEANBHIYQH-UHFFFAOYSA-N -1 1 341.375 2.694 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001609059239 1098125667 /nfs/dbraw/zinc/12/56/67/1098125667.db2.gz ZWIZCSWUTGWBOV-UHFFFAOYSA-N -1 1 325.328 2.585 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001609059239 1098125672 /nfs/dbraw/zinc/12/56/72/1098125672.db2.gz ZWIZCSWUTGWBOV-UHFFFAOYSA-N -1 1 325.328 2.585 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(C)c(C)cc2C)o1 ZINC001609061614 1098127138 /nfs/dbraw/zinc/12/71/38/1098127138.db2.gz NDOIPBANJHUOIJ-UHFFFAOYSA-N -1 1 325.376 2.924 20 30 EFEDMM CC(C)(C#N)c1ccccc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001609072683 1098130398 /nfs/dbraw/zinc/13/03/98/1098130398.db2.gz ANLTVPNRGDZVIM-UHFFFAOYSA-N -1 1 338.346 2.781 20 30 EFEDMM CCC(=NNc1ccccc1C(=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001609180806 1098184153 /nfs/dbraw/zinc/18/41/53/1098184153.db2.gz MADLYXMOVPVKQO-UHFFFAOYSA-N -1 1 336.355 2.791 20 30 EFEDMM CC[C@@H](C)[C@H](CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)OC ZINC001609185519 1098188199 /nfs/dbraw/zinc/18/81/99/1098188199.db2.gz JCHTZZJDNIYUQI-ZJUUUORDSA-N -1 1 335.412 2.611 20 30 EFEDMM CCN(C)c1ccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001609221307 1098211066 /nfs/dbraw/zinc/21/10/66/1098211066.db2.gz RILNPVHWZJPUKD-HJWRWDBZSA-N -1 1 340.412 2.675 20 30 EFEDMM CCN(C)c1ccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001609221307 1098211072 /nfs/dbraw/zinc/21/10/72/1098211072.db2.gz RILNPVHWZJPUKD-HJWRWDBZSA-N -1 1 340.412 2.675 20 30 EFEDMM Cc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1 ZINC001609421955 1098306576 /nfs/dbraw/zinc/30/65/76/1098306576.db2.gz CYJMITLHNSNUGC-UHFFFAOYSA-N -1 1 325.376 2.808 20 30 EFEDMM Fc1ccc(CNN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)cc1 ZINC001609490559 1098358358 /nfs/dbraw/zinc/35/83/58/1098358358.db2.gz DWTBNKHVGKKPRB-UHFFFAOYSA-N -1 1 348.744 2.922 20 30 EFEDMM Fc1ccc(CNN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)cc1 ZINC001609490559 1098358365 /nfs/dbraw/zinc/35/83/65/1098358365.db2.gz DWTBNKHVGKKPRB-UHFFFAOYSA-N -1 1 348.744 2.922 20 30 EFEDMM CN(C)c1ccc(C(N)=NOCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001610104797 1098548530 /nfs/dbraw/zinc/54/85/30/1098548530.db2.gz AJFBBWOZWYLXCQ-UHFFFAOYSA-N -1 1 347.802 2.941 20 30 EFEDMM COc1ccc([C@@H](NCc2ccc(C#N)cc2C)C(=O)[O-])c(OC)c1 ZINC001610323605 1098620401 /nfs/dbraw/zinc/62/04/01/1098620401.db2.gz FDPIFBCCJWUSQE-GOSISDBHSA-N -1 1 340.379 2.799 20 30 EFEDMM N#Cc1ccccc1COc1cccc(CN[C@@H](CF)C(=O)[O-])c1 ZINC001610632777 1098795809 /nfs/dbraw/zinc/79/58/09/1098795809.db2.gz GKBHEGKIUURSSL-KRWDZBQOSA-N -1 1 328.343 2.650 20 30 EFEDMM C=CCO[N-]C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000837044438 1099401141 /nfs/dbraw/zinc/40/11/41/1099401141.db2.gz MUVFERLNXURMJQ-VIFPVBQESA-N -1 1 329.183 2.580 20 30 EFEDMM Cc1noc(-c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC001633562178 1100550711 /nfs/dbraw/zinc/55/07/11/1100550711.db2.gz QEOUGBPFHCSQMI-UHFFFAOYSA-N -1 1 334.335 2.552 20 30 EFEDMM Cc1[nH]c(C#N)cc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001638609317 1100873496 /nfs/dbraw/zinc/87/34/96/1100873496.db2.gz PZJDSHBEVCLVRB-UHFFFAOYSA-N -1 1 342.746 2.591 20 30 EFEDMM Cc1[nH]c(C#N)cc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001638609317 1100873501 /nfs/dbraw/zinc/87/35/01/1100873501.db2.gz PZJDSHBEVCLVRB-UHFFFAOYSA-N -1 1 342.746 2.591 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1c(F)cccc1Cl ZINC000785410602 1102297640 /nfs/dbraw/zinc/29/76/40/1102297640.db2.gz APYJHYPSLRRVJB-JDNHERCYSA-N -1 1 348.761 2.908 20 30 EFEDMM CCCCCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccc1F ZINC000799791054 1102724927 /nfs/dbraw/zinc/72/49/27/1102724927.db2.gz RTOPGZVSESGTMP-HNNXBMFYSA-N -1 1 345.436 2.930 20 30 EFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc2c[nH]nc21 ZINC000129014483 1103636213 /nfs/dbraw/zinc/63/62/13/1103636213.db2.gz JQRZHPXLUNDAKT-CQSZACIVSA-N -1 1 348.362 2.923 20 30 EFEDMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCN1Cc1cccc(C#N)c1 ZINC001088471442 1103829287 /nfs/dbraw/zinc/82/92/87/1103829287.db2.gz MFFTVJRRNYNHEZ-KDOFPFPSSA-N -1 1 335.407 2.657 20 30 EFEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)c1 ZINC000127692451 1105096284 /nfs/dbraw/zinc/09/62/84/1105096284.db2.gz IPIZZDBCSDFCIK-INIZCTEOSA-N -1 1 345.362 2.537 20 30 EFEDMM C=CCC1(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])CCCC1 ZINC001077309641 1107320856 /nfs/dbraw/zinc/32/08/56/1107320856.db2.gz YYTJNUFMVXGYMR-AWEZNQCLSA-N -1 1 345.443 2.548 20 30 EFEDMM C=CCN1CC[C@]2(CCCN(C(=O)c3cccc([O-])c3F)CC2)C1=O ZINC001272282764 1107468214 /nfs/dbraw/zinc/46/82/14/1107468214.db2.gz JXDMCXSDYPHQSY-LJQANCHMSA-N -1 1 346.402 2.562 20 30 EFEDMM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC001272261237 1107564320 /nfs/dbraw/zinc/56/43/20/1107564320.db2.gz GYGQOSZKXMBDHZ-CQSZACIVSA-N -1 1 348.830 2.590 20 30 EFEDMM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Cl)cc1[O-] ZINC001272262375 1107853031 /nfs/dbraw/zinc/85/30/31/1107853031.db2.gz YBLMSOFYYBWTKM-HUUCEWRRSA-N -1 1 348.830 2.827 20 30 EFEDMM C=CCN1CC[C@]2(CCCN(C(=O)c3cc(F)ccc3[O-])CC2)C1=O ZINC001272386467 1108148970 /nfs/dbraw/zinc/14/89/70/1108148970.db2.gz IMCLPRLULFJNEO-LJQANCHMSA-N -1 1 346.402 2.562 20 30 EFEDMM C=CCN1CC[C@]2(CCCN(C(=O)c3ccc(F)c([O-])c3)CC2)C1=O ZINC001272227425 1108439076 /nfs/dbraw/zinc/43/90/76/1108439076.db2.gz NYWDGEVIXGWMKF-LJQANCHMSA-N -1 1 346.402 2.562 20 30 EFEDMM CC(C)CN1c2ccccc2C(=N[N-]c2cncc(Cl)n2)C1=O ZINC000914560283 1111258100 /nfs/dbraw/zinc/25/81/00/1111258100.db2.gz WGHGEYKKUYTHQE-UHFFFAOYSA-N -1 1 329.791 2.949 20 30 EFEDMM CCCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000914599456 1111283131 /nfs/dbraw/zinc/28/31/31/1111283131.db2.gz HIIFQUXKQUJJCA-UHFFFAOYSA-N -1 1 327.409 2.930 20 30 EFEDMM C=C[C@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943209548 1119364474 /nfs/dbraw/zinc/36/44/74/1119364474.db2.gz MTHVPCAWWCGDAR-IFXJQAMLSA-N -1 1 345.443 2.500 20 30 EFEDMM C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000943209549 1119364848 /nfs/dbraw/zinc/36/48/48/1119364848.db2.gz MTHVPCAWWCGDAR-KUHUBIRLSA-N -1 1 345.443 2.500 20 30 EFEDMM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc([O-])c(F)c1F ZINC001272724285 1119496833 /nfs/dbraw/zinc/49/68/33/1119496833.db2.gz FCZHXTFZMRMLGG-ZIAGYGMSSA-N -1 1 336.382 2.812 20 30 EFEDMM N#CCCCN1CC[C@@]2(CCCN2Cc2ccc([O-])c(F)c2F)C1=O ZINC001272725082 1119534990 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ZINC000005165217 471489329 /nfs/dbraw/zinc/48/93/29/471489329.db2.gz QTMIJJIWGCJBCR-UHFFFAOYSA-N -1 1 342.424 2.519 20 30 EFEDMM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000008294893 471678596 /nfs/dbraw/zinc/67/85/96/471678596.db2.gz ZLBZOVAVXPYRLR-UHFFFAOYSA-N -1 1 330.409 2.712 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1 ZINC000014869155 471880600 /nfs/dbraw/zinc/88/06/00/471880600.db2.gz TWQRODXSCNZMIR-UHFFFAOYSA-N -1 1 338.291 2.681 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COC)cc2)n1 ZINC000067896700 472106081 /nfs/dbraw/zinc/10/60/81/472106081.db2.gz DWAHVQQQSPECKC-ZDUSSCGKSA-N -1 1 344.392 2.956 20 30 EFEDMM C=CCOc1cccc(NC(=O)NCCn2c(C)n[n-]c2=S)c1 ZINC000084319248 472167511 /nfs/dbraw/zinc/16/75/11/472167511.db2.gz UQEOBIZGPPGEAU-UHFFFAOYSA-N -1 1 333.417 2.636 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCOC3=O)c2)n1 ZINC000075830447 472202432 /nfs/dbraw/zinc/20/24/32/472202432.db2.gz WPWMOCDPSYDPKZ-CYBMUJFWSA-N -1 1 327.365 2.898 20 30 EFEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000055637721 472215809 /nfs/dbraw/zinc/21/58/09/472215809.db2.gz VRNAZOKJLAFVKP-UHFFFAOYSA-N -1 1 331.353 2.537 20 30 EFEDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000055643710 472217940 /nfs/dbraw/zinc/21/79/40/472217940.db2.gz JPCZRRQVFCLGSE-UHFFFAOYSA-N -1 1 346.408 2.693 20 30 EFEDMM COCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000069147908 472298392 /nfs/dbraw/zinc/29/83/92/472298392.db2.gz WDNMFSRVHSACTF-UHFFFAOYSA-N -1 1 330.409 2.856 20 30 EFEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000045851154 472473941 /nfs/dbraw/zinc/47/39/41/472473941.db2.gz HXPXCNCMRKCKFO-ZDUSSCGKSA-N -1 1 343.456 2.924 20 30 EFEDMM N#CCCn1ccc(NC(=O)c2cc(Br)ccc2[O-])n1 ZINC000117715831 472475003 /nfs/dbraw/zinc/47/50/03/472475003.db2.gz SZHMTXUYTTXOAF-UHFFFAOYSA-N -1 1 335.161 2.517 20 30 EFEDMM N#C[C@@H](C(=O)c1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706946 472587887 /nfs/dbraw/zinc/58/78/87/472587887.db2.gz OBNPYQMCMFHTAX-JTQLQIEISA-N -1 1 339.376 2.946 20 30 EFEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000613443598 480001533 /nfs/dbraw/zinc/00/15/33/480001533.db2.gz RVTXBKFGHOGUHZ-KRWDZBQOSA-N -1 1 339.370 2.554 20 30 EFEDMM N#C[C@H](C(=O)c1ccoc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362221 472696748 /nfs/dbraw/zinc/69/67/48/472696748.db2.gz LCZBMCDBRSKANI-LLVKDONJSA-N -1 1 339.376 2.946 20 30 EFEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCC#N)cc1 ZINC000078541269 472732440 /nfs/dbraw/zinc/73/24/40/472732440.db2.gz HAKZHEBIKYDYSY-UHFFFAOYSA-N -1 1 329.429 2.678 20 30 EFEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccccc3)nc(=O)c2c1C ZINC000121956763 472953072 /nfs/dbraw/zinc/95/30/72/472953072.db2.gz WHUFCAFYTSBCDP-LBPRGKRZSA-N -1 1 338.392 2.847 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(CNC(N)=O)cc2)n1 ZINC000080455396 473033865 /nfs/dbraw/zinc/03/38/65/473033865.db2.gz LRXZDAYGPCSNDH-ZDUSSCGKSA-N -1 1 342.424 2.925 20 30 EFEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(C#N)c3)c2C)o1 ZINC000135407949 473068102 /nfs/dbraw/zinc/06/81/02/473068102.db2.gz WKGAYMFARMIERC-UHFFFAOYSA-N -1 1 342.380 2.959 20 30 EFEDMM N#CC1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000123205952 473111002 /nfs/dbraw/zinc/11/10/02/473111002.db2.gz JZULGERTMSMJRL-UHFFFAOYSA-N -1 1 325.604 2.981 20 30 EFEDMM C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000066898371 473170963 /nfs/dbraw/zinc/17/09/63/473170963.db2.gz JHNIYPZQGWUSSE-AWEZNQCLSA-N -1 1 331.412 2.795 20 30 EFEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000163426164 473444284 /nfs/dbraw/zinc/44/42/84/473444284.db2.gz ULCREJMMQHJLIK-UHFFFAOYSA-N -1 1 330.258 2.926 20 30 EFEDMM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000114619617 473487205 /nfs/dbraw/zinc/48/72/05/473487205.db2.gz HLDDUEGQFOIJAD-AWEZNQCLSA-N -1 1 348.387 2.794 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1F ZINC000114673343 473490890 /nfs/dbraw/zinc/49/08/90/473490890.db2.gz LILVLEXRBZYRJN-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM COCCN(C)c1ccc(/C=C/C(=O)c2cc(OC)ccc2[O-])cn1 ZINC000191319893 473527492 /nfs/dbraw/zinc/52/74/92/473527492.db2.gz VQPHFCYPNZXMKM-QPJJXVBHSA-N -1 1 342.395 2.775 20 30 EFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(C#N)c1C ZINC000178770291 473557680 /nfs/dbraw/zinc/55/76/80/473557680.db2.gz CSKOGMPUKJCRHB-UHFFFAOYSA-N -1 1 349.394 2.803 20 30 EFEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000179025441 473614210 /nfs/dbraw/zinc/61/42/10/473614210.db2.gz RMKJEFDXQCHSMN-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000179376587 473682438 /nfs/dbraw/zinc/68/24/38/473682438.db2.gz PSTOKRQAWKIYLX-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287641549 473722275 /nfs/dbraw/zinc/72/22/75/473722275.db2.gz ORGLLPPUIAYFSH-QJOMJCCJSA-N -1 1 348.410 2.658 20 30 EFEDMM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000287667520 473727913 /nfs/dbraw/zinc/72/79/13/473727913.db2.gz DCVSTDLHLSSXLM-ZDUSSCGKSA-N -1 1 346.408 2.558 20 30 EFEDMM CCOc1cc(C(=O)Nc2ccn(CCC#N)n2)cc(Cl)c1[O-] ZINC000186818056 473762756 /nfs/dbraw/zinc/76/27/56/473762756.db2.gz ZSLONZVVBYFJNF-UHFFFAOYSA-N -1 1 334.763 2.807 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1C ZINC000193355571 473782754 /nfs/dbraw/zinc/78/27/54/473782754.db2.gz MFTFYRMSPKCQQN-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N(C)c2ccccc2C#N)c(=O)[n-]1 ZINC000269878999 473905319 /nfs/dbraw/zinc/90/53/19/473905319.db2.gz YABOTUOEUYJORU-UHFFFAOYSA-N -1 1 342.424 2.680 20 30 EFEDMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188221451 474023014 /nfs/dbraw/zinc/02/30/14/474023014.db2.gz CBVUNQFNZKZCCJ-UHFFFAOYSA-N -1 1 337.379 2.591 20 30 EFEDMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188226508 474026326 /nfs/dbraw/zinc/02/63/26/474026326.db2.gz XZQPUNWMDLKJEM-CYBMUJFWSA-N -1 1 347.378 2.678 20 30 EFEDMM CCOc1ccc(N(CCC#N)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000264536818 474028729 /nfs/dbraw/zinc/02/87/29/474028729.db2.gz GKGXDSGCZWGKTJ-UHFFFAOYSA-N -1 1 328.328 2.882 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1noc(Cc2ccccc2)n1 ZINC000188624187 474145151 /nfs/dbraw/zinc/14/51/51/474145151.db2.gz FLZVWVMXNOVHNV-LBPRGKRZSA-N -1 1 348.362 2.729 20 30 EFEDMM Cc1nn(-c2ccccc2)cc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188781551 474194812 /nfs/dbraw/zinc/19/48/12/474194812.db2.gz KUUFMVXHCPOWOR-UHFFFAOYSA-N -1 1 332.363 2.688 20 30 EFEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)(C)C ZINC000622943464 480087641 /nfs/dbraw/zinc/08/76/41/480087641.db2.gz CMZAZGURYMPHJI-UHFFFAOYSA-N -1 1 342.461 2.783 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1O ZINC000189126441 474298656 /nfs/dbraw/zinc/29/86/56/474298656.db2.gz GZEKLDPJKYCANP-UHFFFAOYSA-N -1 1 333.687 2.783 20 30 EFEDMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)C(F)(F)F ZINC000289588752 474335471 /nfs/dbraw/zinc/33/54/71/474335471.db2.gz WZFAEPLZOZQANB-NSHDSACASA-N -1 1 335.351 2.599 20 30 EFEDMM C#CCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277580462 474590747 /nfs/dbraw/zinc/59/07/47/474590747.db2.gz SJEJWLSOOVPGNE-UHFFFAOYSA-N -1 1 325.206 2.757 20 30 EFEDMM C#CCO[N-]C(=O)C[C@@]1(CC)OCCc2c3cccc(CC)c3[nH]c21 ZINC000291298030 474600272 /nfs/dbraw/zinc/60/02/72/474600272.db2.gz QHOWIHCDOOHFHL-HXUWFJFHSA-N -1 1 340.423 2.979 20 30 EFEDMM N#CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000344595216 474768964 /nfs/dbraw/zinc/76/89/64/474768964.db2.gz CUMIQQFQCCYMEH-UHFFFAOYSA-N -1 1 343.408 2.521 20 30 EFEDMM C=C(CC)CNC(=O)c1ccc(I)c([O-])c1 ZINC000313489830 474856633 /nfs/dbraw/zinc/85/66/33/474856633.db2.gz SLTITERNANRFRY-UHFFFAOYSA-N -1 1 331.153 2.693 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000324099308 474960569 /nfs/dbraw/zinc/96/05/69/474960569.db2.gz JFJYGURTSRPFHX-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM N#C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccc(C(F)(F)F)c1 ZINC000345195841 474981589 /nfs/dbraw/zinc/98/15/89/474981589.db2.gz UPAOSSYFXKWLOJ-CQSZACIVSA-N -1 1 345.284 2.971 20 30 EFEDMM C=C[C@H](CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000339190529 475022354 /nfs/dbraw/zinc/02/23/54/475022354.db2.gz WWDCPMAZIYLGLZ-CYBMUJFWSA-N -1 1 327.384 2.841 20 30 EFEDMM COC(=O)c1cccc2nc(NC(=O)c3ccc(F)c(C#N)c3)[nH]c21 ZINC000341453147 475054211 /nfs/dbraw/zinc/05/42/11/475054211.db2.gz CJROSBUCIBFBQY-UHFFFAOYSA-N -1 1 338.298 2.613 20 30 EFEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1[O-] ZINC000329392523 475084539 /nfs/dbraw/zinc/08/45/39/475084539.db2.gz SEUCSDNHTSXNCV-CEXWTWQISA-N -1 1 348.402 2.909 20 30 EFEDMM CCc1ccccc1NC(=O)[C@@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000329614103 475096951 /nfs/dbraw/zinc/09/69/51/475096951.db2.gz CWJMOOOEFKYNBK-GFCCVEGCSA-N -1 1 343.431 2.929 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000287218902 475098461 /nfs/dbraw/zinc/09/84/61/475098461.db2.gz FSPARPMGASSOHE-GXTWGEPZSA-N -1 1 334.372 2.905 20 30 EFEDMM Cc1cccc(NC(=O)[C@@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000329677684 475111380 /nfs/dbraw/zinc/11/13/80/475111380.db2.gz WTKBKUAJEMJWJN-GFCCVEGCSA-N -1 1 329.404 2.675 20 30 EFEDMM CC[C@@H]1C[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)CC([O-])=N1 ZINC000329762052 475127787 /nfs/dbraw/zinc/12/77/87/475127787.db2.gz SFVNGRCTHGVOEM-NWDGAFQWSA-N -1 1 328.376 2.610 20 30 EFEDMM N#Cc1cccc(OCc2cccc(C(=O)Nc3ccncc3[O-])c2)c1 ZINC000345371758 475133767 /nfs/dbraw/zinc/13/37/67/475133767.db2.gz HUXJYAIYICYCAZ-UHFFFAOYSA-N -1 1 345.358 2.912 20 30 EFEDMM Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)[n-]c(=O)c1C ZINC000330665787 475264927 /nfs/dbraw/zinc/26/49/27/475264927.db2.gz AFORHYPNPCEHCL-LBPRGKRZSA-N -1 1 334.445 2.622 20 30 EFEDMM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000330801281 475278327 /nfs/dbraw/zinc/27/83/27/475278327.db2.gz GUASZOGKCRWOLO-MRVPVSSYSA-N -1 1 349.225 2.783 20 30 EFEDMM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000331238860 475326526 /nfs/dbraw/zinc/32/65/26/475326526.db2.gz VXNONLPYBPYIDP-JTQLQIEISA-N -1 1 325.192 2.959 20 30 EFEDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1CC#N)OCO2 ZINC000337881260 475402881 /nfs/dbraw/zinc/40/28/81/475402881.db2.gz YHWVDYZMVICMBB-UHFFFAOYSA-N -1 1 330.365 2.591 20 30 EFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc(-c2ccccc2)[nH][nH]1 ZINC000352548412 475403279 /nfs/dbraw/zinc/40/32/79/475403279.db2.gz QTWODEJXIJSQHW-QGZVFWFLSA-N -1 1 341.374 2.691 20 30 EFEDMM C=CCCCCNC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000352562040 475414561 /nfs/dbraw/zinc/41/45/61/475414561.db2.gz FYBVJXQWVYHJKA-UHFFFAOYSA-N -1 1 341.433 2.545 20 30 EFEDMM CC(C)c1nnc([C@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)[nH]1 ZINC000331923544 475459053 /nfs/dbraw/zinc/45/90/53/475459053.db2.gz OQKYOVTWWKDUGJ-CQSZACIVSA-N -1 1 339.399 2.873 20 30 EFEDMM N#Cc1ccc(OCc2cccc(C(=O)Nc3ccncc3[O-])c2)cc1 ZINC000358347277 475609164 /nfs/dbraw/zinc/60/91/64/475609164.db2.gz FGZBMYUYRBKLND-UHFFFAOYSA-N -1 1 345.358 2.912 20 30 EFEDMM COc1ccc([O-])c(S(=O)(=O)N(CCC#N)c2cccc(C)c2)c1 ZINC000342782724 475640085 /nfs/dbraw/zinc/64/00/85/475640085.db2.gz RQRRZNFGOQYGNH-UHFFFAOYSA-N -1 1 346.408 2.818 20 30 EFEDMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000346656964 475738790 /nfs/dbraw/zinc/73/87/90/475738790.db2.gz GAZTXBFWKZKHMZ-UHFFFAOYSA-N -1 1 346.408 2.509 20 30 EFEDMM N#Cc1ccc2c(c1)N(C(=O)c1nc[n-]c1C(=O)c1ccccc1)CC2 ZINC000355248232 475776915 /nfs/dbraw/zinc/77/69/15/475776915.db2.gz JSDZVXSXMMDTJW-UHFFFAOYSA-N -1 1 342.358 2.715 20 30 EFEDMM Cc1nc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)[n-]c(=O)c1C ZINC000346721181 475799007 /nfs/dbraw/zinc/79/90/07/475799007.db2.gz HIHKIRJGSDPKJC-AWEZNQCLSA-N -1 1 340.408 2.568 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1OCCc2sccc21 ZINC000346766518 475840034 /nfs/dbraw/zinc/84/00/34/475840034.db2.gz MYPLQOIZZSDOIJ-HWPZZCPQSA-N -1 1 328.393 2.758 20 30 EFEDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C#N)c1C)OCO2 ZINC000358889038 476014656 /nfs/dbraw/zinc/01/46/56/476014656.db2.gz SJAQJIRAKNZFHN-UHFFFAOYSA-N -1 1 330.365 2.705 20 30 EFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000355836130 476064804 /nfs/dbraw/zinc/06/48/04/476064804.db2.gz BVOITLKQWWNRKN-UHFFFAOYSA-N -1 1 338.392 2.944 20 30 EFEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccccc2CC#N)cc1F ZINC000355843600 476066695 /nfs/dbraw/zinc/06/66/95/476066695.db2.gz MKMYYMRKQQPUTA-UHFFFAOYSA-N -1 1 338.335 2.840 20 30 EFEDMM C=CCCS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000340726927 476233812 /nfs/dbraw/zinc/23/38/12/476233812.db2.gz KDWJCJWBOVLMOG-UHFFFAOYSA-N -1 1 335.179 2.675 20 30 EFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000344282236 476213642 /nfs/dbraw/zinc/21/36/42/476213642.db2.gz BBGIBNUZSYPSSW-UHFFFAOYSA-N -1 1 342.754 2.968 20 30 EFEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000351104055 476339316 /nfs/dbraw/zinc/33/93/16/476339316.db2.gz AGVFBQNKAGDKLK-JTQLQIEISA-N -1 1 343.257 2.652 20 30 EFEDMM C=CCCc1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000351128647 476343933 /nfs/dbraw/zinc/34/39/33/476343933.db2.gz JMNAGVMCBZTCCZ-UHFFFAOYSA-N -1 1 337.383 2.839 20 30 EFEDMM C=CCCc1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000351129833 476344275 /nfs/dbraw/zinc/34/42/75/476344275.db2.gz LTRXPIOBXIOENV-UHFFFAOYSA-N -1 1 325.390 2.525 20 30 EFEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000351228866 476370961 /nfs/dbraw/zinc/37/09/61/476370961.db2.gz WQNKHBYRXVCVEJ-LBPRGKRZSA-N -1 1 336.841 2.793 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)cc1[O-] ZINC000360815810 476405117 /nfs/dbraw/zinc/40/51/17/476405117.db2.gz HDMDHBYLOZIJMH-ZDUSSCGKSA-N -1 1 339.370 2.659 20 30 EFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000351892973 476503944 /nfs/dbraw/zinc/50/39/44/476503944.db2.gz XIFQGQPMJUFBSB-XLKFXECMSA-N -1 1 344.387 2.655 20 30 EFEDMM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1ccc(C#N)o1)C1CC1 ZINC000452110518 476831164 /nfs/dbraw/zinc/83/11/64/476831164.db2.gz ZHLZPCCZWSARQF-KRWDZBQOSA-N -1 1 330.409 2.841 20 30 EFEDMM CCOC(=O)c1cnc(NC(=O)C[C@H](CC#N)c2ccccc2)[n-]1 ZINC000415647927 476948271 /nfs/dbraw/zinc/94/82/71/476948271.db2.gz NKJPECHKRGGUIK-ZDUSSCGKSA-N -1 1 326.356 2.612 20 30 EFEDMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC000415647927 476948273 /nfs/dbraw/zinc/94/82/73/476948273.db2.gz NKJPECHKRGGUIK-ZDUSSCGKSA-N -1 1 326.356 2.612 20 30 EFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000431187073 476992391 /nfs/dbraw/zinc/99/23/91/476992391.db2.gz MIAZCWFWYMYFRD-UHFFFAOYSA-N -1 1 329.337 2.514 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1OC ZINC000431181412 476992553 /nfs/dbraw/zinc/99/25/53/476992553.db2.gz SIKQPYMYHGIKET-UHFFFAOYSA-N -1 1 346.408 2.993 20 30 EFEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431630749 477064977 /nfs/dbraw/zinc/06/49/77/477064977.db2.gz NSMZMQLZNZFZKR-CQSZACIVSA-N -1 1 340.326 2.982 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)ccc1C#N ZINC000435756711 477365328 /nfs/dbraw/zinc/36/53/28/477365328.db2.gz UKIYQQGEUGWJLV-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435759786 477367035 /nfs/dbraw/zinc/36/70/35/477367035.db2.gz MAGBADIQBRJFMI-UHFFFAOYSA-N -1 1 346.408 2.693 20 30 EFEDMM N#Cc1ccc(C2=CCN(CC(=O)[N-]OCc3ccccc3)CC2)cc1 ZINC000367406522 477494310 /nfs/dbraw/zinc/49/43/10/477494310.db2.gz VUYMWHIIPQUYTR-UHFFFAOYSA-N -1 1 347.418 2.895 20 30 EFEDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000436684415 477557828 /nfs/dbraw/zinc/55/78/28/477557828.db2.gz ZZXSQQPNQTWQPH-UHFFFAOYSA-N -1 1 330.727 2.956 20 30 EFEDMM C=CCC1(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CCCCC1 ZINC000450557031 477632042 /nfs/dbraw/zinc/63/20/42/477632042.db2.gz HSCROHVBSBTFFG-UHFFFAOYSA-N -1 1 338.429 2.505 20 30 EFEDMM C=CCCO[C@H](C)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436916224 477632962 /nfs/dbraw/zinc/63/29/62/477632962.db2.gz SNJGIVXDEOYNAR-SECBINFHSA-N -1 1 336.779 2.750 20 30 EFEDMM C=CCCO[C@H](C)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436916224 477632968 /nfs/dbraw/zinc/63/29/68/477632968.db2.gz SNJGIVXDEOYNAR-SECBINFHSA-N -1 1 336.779 2.750 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)o1 ZINC000367743937 477667399 /nfs/dbraw/zinc/66/73/99/477667399.db2.gz ATUCZHGSSRMHJN-QGZVFWFLSA-N -1 1 339.376 2.614 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)o1 ZINC000367779619 477686959 /nfs/dbraw/zinc/68/69/59/477686959.db2.gz LPZXKEXAOCSVOO-MJHDQNEOSA-N -1 1 338.335 2.654 20 30 EFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000437478518 477709154 /nfs/dbraw/zinc/70/91/54/477709154.db2.gz VQTLXBNAGXEIAN-IINYFYTJSA-N -1 1 340.217 2.866 20 30 EFEDMM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)cn1 ZINC000451069370 477809986 /nfs/dbraw/zinc/80/99/86/477809986.db2.gz LDSPEQNRSYLMNU-UHFFFAOYSA-N -1 1 338.820 2.984 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(F)F ZINC000451071044 477810023 /nfs/dbraw/zinc/81/00/23/477810023.db2.gz KBMNBTLVBIPJOA-SSDOTTSWSA-N -1 1 342.289 2.899 20 30 EFEDMM C=CCCCS(=O)(=O)[N-]c1cc(N(C)C)c(Br)cn1 ZINC000451091713 477819678 /nfs/dbraw/zinc/81/96/78/477819678.db2.gz BFZXHUOKQQGJSM-UHFFFAOYSA-N -1 1 348.266 2.618 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1c(F)cccc1Cl ZINC000428392887 477884506 /nfs/dbraw/zinc/88/45/06/477884506.db2.gz LLCLRTKWFFTVCZ-SECBINFHSA-N -1 1 339.779 2.785 20 30 EFEDMM CCC[C@@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)c1nn[n-]n1 ZINC000532334929 477923619 /nfs/dbraw/zinc/92/36/19/477923619.db2.gz NMRNPWXDJUKSQN-GOSISDBHSA-N -1 1 345.406 2.871 20 30 EFEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1CC(C)C ZINC000535755134 478227816 /nfs/dbraw/zinc/22/78/16/478227816.db2.gz QZMCGKSPZFGOCE-CYBMUJFWSA-N -1 1 336.399 2.917 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)ccc1C#N ZINC000579432726 478292647 /nfs/dbraw/zinc/29/26/47/478292647.db2.gz ODJLTPSWHTVOBB-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000590757642 478322695 /nfs/dbraw/zinc/32/26/95/478322695.db2.gz AKHXRJVNJNCACW-UHFFFAOYSA-N -1 1 332.347 2.695 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1[O-] ZINC000597604100 478429159 /nfs/dbraw/zinc/42/91/59/478429159.db2.gz KAKSXCKXKQAXBK-GVDBMIGSSA-N -1 1 328.412 2.810 20 30 EFEDMM C#CCNC(=O)c1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000491041618 478430333 /nfs/dbraw/zinc/43/03/33/478430333.db2.gz ZSYFIBPWWVPFIV-UHFFFAOYSA-N -1 1 337.310 2.611 20 30 EFEDMM C#CCN(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000491043985 478432261 /nfs/dbraw/zinc/43/22/61/478432261.db2.gz FTOZVYPCWLNQQR-UHFFFAOYSA-N -1 1 343.408 2.584 20 30 EFEDMM CCOc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000591329138 478525398 /nfs/dbraw/zinc/52/53/98/478525398.db2.gz ZPFRAZVUMAKTPJ-ZDUSSCGKSA-N -1 1 348.424 2.707 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000597851083 478539758 /nfs/dbraw/zinc/53/97/58/478539758.db2.gz HSMDREQBBWPTAS-INIZCTEOSA-N -1 1 342.420 2.959 20 30 EFEDMM C#C[C@@H](C)N(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000491451896 478551749 /nfs/dbraw/zinc/55/17/49/478551749.db2.gz IEWSLUJQFJVRQH-SECBINFHSA-N -1 1 344.289 2.597 20 30 EFEDMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591536822 478577406 /nfs/dbraw/zinc/57/74/06/478577406.db2.gz QJPXJTSOVMKGJR-TZMCWYRMSA-N -1 1 344.411 2.846 20 30 EFEDMM N#Cc1sccc1N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000597936717 478584701 /nfs/dbraw/zinc/58/47/01/478584701.db2.gz ASMGYBMEAGXBSU-UHFFFAOYSA-N -1 1 349.362 2.566 20 30 EFEDMM C#C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000491627105 478604175 /nfs/dbraw/zinc/60/41/75/478604175.db2.gz JQHKOVYMOVHARQ-CQSZACIVSA-N -1 1 337.766 2.681 20 30 EFEDMM Cc1cc(=O)[n-]c(N=NC[C@@H](CC2CC2)NC(=O)OC(C)(C)C)n1 ZINC000496314106 478646264 /nfs/dbraw/zinc/64/62/64/478646264.db2.gz ZAZBLICAYXIIFN-GFCCVEGCSA-N 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Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(CCC#N)CC1 ZINC000575751712 479468048 /nfs/dbraw/zinc/46/80/48/479468048.db2.gz JFSQXPWCWPBWDB-UHFFFAOYSA-N -1 1 330.432 2.944 20 30 EFEDMM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589166381 479489024 /nfs/dbraw/zinc/48/90/24/479489024.db2.gz LNQJWDZJLZUTHK-KRWDZBQOSA-N -1 1 332.363 2.517 20 30 EFEDMM Cn1ccnc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589166382 479489285 /nfs/dbraw/zinc/48/92/85/479489285.db2.gz LNQJWDZJLZUTHK-QGZVFWFLSA-N -1 1 332.363 2.517 20 30 EFEDMM CCCCCC(=O)NC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589174166 479491323 /nfs/dbraw/zinc/49/13/23/479491323.db2.gz IYDHWQJZAFXJOG-UHFFFAOYSA-N -1 1 343.427 2.565 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000589177655 479493259 /nfs/dbraw/zinc/49/32/59/479493259.db2.gz IGEMKNINJFZSGK-UHFFFAOYSA-N -1 1 332.363 2.830 20 30 EFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000589190663 479494629 /nfs/dbraw/zinc/49/46/29/479494629.db2.gz BXKMSQUWHPPWAV-MEDUHNTESA-N -1 1 328.393 2.928 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000589189607 479494809 /nfs/dbraw/zinc/49/48/09/479494809.db2.gz LDVKHUBTNZOTIU-SFHVURJKSA-N -1 1 336.391 2.738 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000589188121 479494903 /nfs/dbraw/zinc/49/49/03/479494903.db2.gz WIYWPAHRCZEPTQ-GFCCVEGCSA-N -1 1 348.362 2.729 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCOCc2ccc(Cl)cc2)c1 ZINC000589195677 479496139 /nfs/dbraw/zinc/49/61/39/479496139.db2.gz COXYMGWWQZTVFV-UHFFFAOYSA-N -1 1 330.771 2.864 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000589197180 479497098 /nfs/dbraw/zinc/49/70/98/479497098.db2.gz ZMVAQKBPWHJUQM-OAHLLOKOSA-N -1 1 341.798 2.926 20 30 EFEDMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589196461 479497134 /nfs/dbraw/zinc/49/71/34/479497134.db2.gz DBLRNGMJPDBKEZ-GTNSWQLSSA-N -1 1 328.343 2.909 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)c1 ZINC000589207929 479500760 /nfs/dbraw/zinc/50/07/60/479500760.db2.gz AUVZNTNTOCMHBT-KRWDZBQOSA-N -1 1 344.317 2.756 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nccn1-c1ccccc1 ZINC000589528114 479536673 /nfs/dbraw/zinc/53/66/73/479536673.db2.gz QYDZAUATZBKDHX-CYBMUJFWSA-N -1 1 332.363 2.941 20 30 EFEDMM C[C@]1(CNC(=O)c2cc([O-])cc(C#N)c2)OCCc2sccc21 ZINC000589651627 479555791 /nfs/dbraw/zinc/55/57/91/479555791.db2.gz NOWHKMKIJZSWED-QGZVFWFLSA-N -1 1 328.393 2.543 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2oc(CO)cc2c1 ZINC000590597632 479665569 /nfs/dbraw/zinc/66/55/69/479665569.db2.gz NYSSIHLQXDIIPN-UHFFFAOYSA-N -1 1 342.376 2.906 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)cc1[O-] ZINC000615431063 479673225 /nfs/dbraw/zinc/67/32/25/479673225.db2.gz RYJIHGGGYBHCRI-KRWDZBQOSA-N -1 1 332.363 2.632 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000619461701 479799882 /nfs/dbraw/zinc/79/98/82/479799882.db2.gz SNVOLHCCDMQFHJ-UHFFFAOYSA-N -1 1 338.392 2.944 20 30 EFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000619461329 479800012 /nfs/dbraw/zinc/80/00/12/479800012.db2.gz MEGUXGPKFGJVOR-UHFFFAOYSA-N -1 1 344.392 2.715 20 30 EFEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461841 479800050 /nfs/dbraw/zinc/80/00/50/479800050.db2.gz RIYDCTZZJBYNAP-UHFFFAOYSA-N -1 1 343.408 2.820 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1C ZINC000619461882 479800324 /nfs/dbraw/zinc/80/03/24/479800324.db2.gz ZFISZEBRSBJVOF-UHFFFAOYSA-N -1 1 343.408 2.820 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000619463404 479800985 /nfs/dbraw/zinc/80/09/85/479800985.db2.gz VHTOKXANJVVSFR-UHFFFAOYSA-N -1 1 334.372 2.902 20 30 EFEDMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463810 479801052 /nfs/dbraw/zinc/80/10/52/479801052.db2.gz IVDFBFHCQLQSPX-UHFFFAOYSA-N -1 1 330.409 2.742 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000616034338 479812920 /nfs/dbraw/zinc/81/29/20/479812920.db2.gz YFDVKTFAUWKIIY-CYBMUJFWSA-N -1 1 339.370 2.659 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1 ZINC000619556339 479827931 /nfs/dbraw/zinc/82/79/31/479827931.db2.gz GHFHVLARJZOOOI-SWLSCSKDSA-N -1 1 332.281 2.967 20 30 EFEDMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000619618560 479842885 /nfs/dbraw/zinc/84/28/85/479842885.db2.gz CLTSAICBOLCOAU-QTXLCTLRSA-N -1 1 328.412 2.666 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(OC3CCCC3)nc2)c1 ZINC000614296552 480257950 /nfs/dbraw/zinc/25/79/50/480257950.db2.gz HATZNWJHLLKPKB-UHFFFAOYSA-N -1 1 337.379 2.910 20 30 EFEDMM COCCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000614298430 480258259 /nfs/dbraw/zinc/25/82/59/480258259.db2.gz WKQMXFWEEIENPM-UHFFFAOYSA-N -1 1 330.315 2.680 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000614295594 480258401 /nfs/dbraw/zinc/25/84/01/480258401.db2.gz TUAUFWMIEYZZMD-UHFFFAOYSA-N -1 1 341.798 2.880 20 30 EFEDMM COc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)c2ccccc2n1 ZINC000614299963 480259103 /nfs/dbraw/zinc/25/91/03/480259103.db2.gz WAEHWHAPVJTJCM-UHFFFAOYSA-N -1 1 333.347 2.751 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2nc3c(s2)CCCC3)c1 ZINC000614302592 480260344 /nfs/dbraw/zinc/26/03/44/480260344.db2.gz HVKSALWKKHEGJV-UHFFFAOYSA-N -1 1 327.409 2.572 20 30 EFEDMM C=CCN(C(=O)c1cc(Br)ccc1[O-])[C@@H](C)COC ZINC000617576141 480285769 /nfs/dbraw/zinc/28/57/69/480285769.db2.gz MYZOLHAFWMAXEU-JTQLQIEISA-N -1 1 328.206 2.818 20 30 EFEDMM C=CCCCCNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000626490301 480376030 /nfs/dbraw/zinc/37/60/30/480376030.db2.gz DAQGEOJERCSWGE-UHFFFAOYSA-N -1 1 330.384 2.631 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(O)c1 ZINC000160184410 533964975 /nfs/dbraw/zinc/96/49/75/533964975.db2.gz SLIZLXZCPHTGPD-VIFPVBQESA-N -1 1 338.335 2.582 20 30 EFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(Br)ccc1[O-] ZINC000437496846 534352646 /nfs/dbraw/zinc/35/26/46/534352646.db2.gz LORCJKJFQIIRLP-QMTHXVAHSA-N -1 1 340.217 2.866 20 30 EFEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1F ZINC000076936408 521859649 /nfs/dbraw/zinc/85/96/49/521859649.db2.gz ZOOVPYGNBRWAAD-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1C ZINC000355862614 534718283 /nfs/dbraw/zinc/71/82/83/534718283.db2.gz FCLAEFKHBCJNTF-UHFFFAOYSA-N -1 1 343.408 2.820 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OC ZINC000073353786 524685578 /nfs/dbraw/zinc/68/55/78/524685578.db2.gz JTHJSBATRJFZPV-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000116711930 525736789 /nfs/dbraw/zinc/73/67/89/525736789.db2.gz JYHQWCNMDJXNTF-QFIPXVFZSA-N -1 1 348.449 2.546 20 30 EFEDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000091054408 526058471 /nfs/dbraw/zinc/05/84/71/526058471.db2.gz CJSVSMQSFRQDAX-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM CC#CCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000155899508 526383174 /nfs/dbraw/zinc/38/31/74/526383174.db2.gz FHPIQDNCYBOYEF-UHFFFAOYSA-N -1 1 344.317 2.676 20 30 EFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000120541705 526530838 /nfs/dbraw/zinc/53/08/38/526530838.db2.gz IQZJCOHYCXOSFF-UHFFFAOYSA-N -1 1 339.279 2.545 20 30 EFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174684108 526655927 /nfs/dbraw/zinc/65/59/27/526655927.db2.gz DIBBJAWEQKSWIT-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000178737406 526666103 /nfs/dbraw/zinc/66/61/03/526666103.db2.gz IMUCVWBDCXOECX-UHFFFAOYSA-N -1 1 335.316 2.547 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CCOCC1 ZINC000657128028 547039769 /nfs/dbraw/zinc/03/97/69/547039769.db2.gz PCLHRHFEPIJOLB-UHFFFAOYSA-N -1 1 335.347 2.508 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(NC(=O)OC(C)(C)C)nc2)n1 ZINC000755874408 575648147 /nfs/dbraw/zinc/64/81/47/575648147.db2.gz OJMPLZXCIZKDTA-UHFFFAOYSA-N -1 1 344.375 2.679 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2ccccc2)o1 ZINC000755894286 575651107 /nfs/dbraw/zinc/65/11/07/575651107.db2.gz XNQCKRXNZGADDL-UHFFFAOYSA-N -1 1 334.339 2.528 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ncc(Br)s1 ZINC000756871891 575795249 /nfs/dbraw/zinc/79/52/49/575795249.db2.gz FBRJAYGGUZMZOM-UHFFFAOYSA-N -1 1 328.195 2.546 20 30 EFEDMM CCOc1cccc(CN=Nc2ccc(C(=O)[O-])cc2OC)c1O ZINC000756898940 575798480 /nfs/dbraw/zinc/79/84/80/575798480.db2.gz IPLSWXNMHYQMNJ-UHFFFAOYSA-N -1 1 330.340 2.944 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc([S@@](C)=O)cc1 ZINC000756899020 575798525 /nfs/dbraw/zinc/79/85/25/575798525.db2.gz LRZUWDJSHANOGA-XMMPIXPASA-N -1 1 346.408 2.967 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cc(OC)c(O)c(OC)c1 ZINC000756899032 575798564 /nfs/dbraw/zinc/79/85/64/575798564.db2.gz MILRQMTXGIXHFQ-UHFFFAOYSA-N -1 1 346.339 2.562 20 30 EFEDMM C#CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000756973446 575806727 /nfs/dbraw/zinc/80/67/27/575806727.db2.gz BNXZIGSXSITFHB-INIZCTEOSA-N -1 1 346.358 2.879 20 30 EFEDMM C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000756973447 575806766 /nfs/dbraw/zinc/80/67/66/575806766.db2.gz BNXZIGSXSITFHB-MRXNPFEDSA-N -1 1 346.358 2.879 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cc(F)ccc2O)ccc1OCC(=O)[O-] ZINC000757468671 575839792 /nfs/dbraw/zinc/83/97/92/575839792.db2.gz VGGXUMPIKVPUBZ-GORDUTHDSA-N -1 1 346.310 2.899 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cc(F)ccc2O)ccc1OCC(=O)[O-] ZINC000757468670 575839865 /nfs/dbraw/zinc/83/98/65/575839865.db2.gz VGGXUMPIKVPUBZ-DJWKRKHSSA-N -1 1 346.310 2.899 20 30 EFEDMM COc1ccc(C(=O)/C=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)c([O-])c1 ZINC000757471356 575840023 /nfs/dbraw/zinc/84/00/23/575840023.db2.gz BTPPOJVHRKMXNC-UTCJRWHESA-N -1 1 345.307 2.919 20 30 EFEDMM COC(=O)c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757473113 575840185 /nfs/dbraw/zinc/84/01/85/575840185.db2.gz MWKLILOHOHRQMQ-YWEYNIOJSA-N -1 1 326.304 2.773 20 30 EFEDMM C=CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccncc1 ZINC000757890174 575855234 /nfs/dbraw/zinc/85/52/34/575855234.db2.gz KJYASMDOJNXCMC-OAHLLOKOSA-N -1 1 349.362 2.827 20 30 EFEDMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[nH]nc1C1CC1 ZINC000760321223 576004840 /nfs/dbraw/zinc/00/48/40/576004840.db2.gz SFKAHCNGQLUUAV-UHFFFAOYSA-N -1 1 336.804 2.921 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C(F)(F)F)s2)c(=O)o1 ZINC000761473899 576167483 /nfs/dbraw/zinc/16/74/83/576167483.db2.gz IXPWWXWBFYSPLA-QQHVMHFCSA-N -1 1 330.283 2.995 20 30 EFEDMM CSc1ccc(C(C)=NNc2nc3[nH][n-]cc-3c(=O)n2)c(Cl)c1 ZINC000763363956 576374204 /nfs/dbraw/zinc/37/42/04/576374204.db2.gz SWSVVZRVMCUYLK-UHFFFAOYSA-N -1 1 348.819 2.643 20 30 EFEDMM O=c1nc(NN=C2CCc3cc(Cl)cc(Cl)c32)nc2[nH][n-]cc1-2 ZINC000764688197 576489242 /nfs/dbraw/zinc/48/92/42/576489242.db2.gz ZGYPXIIXDVUBIA-UHFFFAOYSA-N -1 1 349.181 2.501 20 30 EFEDMM CC(=NNS(=O)(=O)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000764719483 576493619 /nfs/dbraw/zinc/49/36/19/576493619.db2.gz CWGCDYXLRMCHSU-UHFFFAOYSA-N -1 1 344.314 2.512 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765752879 577072906 /nfs/dbraw/zinc/07/29/06/577072906.db2.gz ZVKVBDBZBIKJIA-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM CC(=NNS(=O)(=O)C(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000766013314 577098429 /nfs/dbraw/zinc/09/84/29/577098429.db2.gz MZNXCWLWEAAVBN-UHFFFAOYSA-N -1 1 325.217 2.751 20 30 EFEDMM C[C@H]1CC(C)(C)CC1=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000766025254 577099473 /nfs/dbraw/zinc/09/94/73/577099473.db2.gz JYPSBBIDWOOODZ-JTQLQIEISA-N -1 1 325.390 2.685 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)ccc1C#N ZINC000766549548 577165217 /nfs/dbraw/zinc/16/52/17/577165217.db2.gz YLSKTMFVACPCOH-UHFFFAOYSA-N -1 1 340.360 2.774 20 30 EFEDMM C[C@@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000767386058 577207032 /nfs/dbraw/zinc/20/70/32/577207032.db2.gz QZRSZNCNJYIKCE-WDEREUQCSA-N -1 1 325.390 2.685 20 30 EFEDMM CC(C)(C#N)CCCCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000768608640 577288300 /nfs/dbraw/zinc/28/83/00/577288300.db2.gz NQKWBWXAZQFRFJ-UHFFFAOYSA-N -1 1 344.458 2.996 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000768843341 577308564 /nfs/dbraw/zinc/30/85/64/577308564.db2.gz JLFXOXBDLCSSJJ-SECBINFHSA-N -1 1 337.382 2.567 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CC[C@@H]2c2ccccc2)c2ccccc21 ZINC000769779349 577384644 /nfs/dbraw/zinc/38/46/44/577384644.db2.gz CGLVVSSJTNBBNT-CYBMUJFWSA-N -1 1 325.393 2.659 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC[C@H]1c1ccccc1 ZINC000769790008 577385389 /nfs/dbraw/zinc/38/53/89/577385389.db2.gz KFZXNCJQGQPIBC-ZDUSSCGKSA-N -1 1 345.380 2.807 20 30 EFEDMM COCCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C(C)C ZINC000769806717 577386743 /nfs/dbraw/zinc/38/67/43/577386743.db2.gz BBUZIIDOEZWNBW-UHFFFAOYSA-N -1 1 334.424 2.747 20 30 EFEDMM CC(CC1CCOCC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769807915 577386963 /nfs/dbraw/zinc/38/69/63/577386963.db2.gz XSTRIIPFBNSIOD-UHFFFAOYSA-N -1 1 346.435 2.891 20 30 EFEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)C(C)(C)c1ccc(F)cc1 ZINC000769819531 577387759 /nfs/dbraw/zinc/38/77/59/577387759.db2.gz UCCXYDDQNVTWDH-UHFFFAOYSA-N -1 1 342.378 2.974 20 30 EFEDMM CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cc(C)ccc1OC ZINC000771560580 581222838 /nfs/dbraw/zinc/22/28/38/581222838.db2.gz QEWMEQWKLNFUKP-UHFFFAOYSA-N -1 1 340.387 2.612 20 30 EFEDMM C#CCN(CC(=O)[N-]OCc1ccccc1)[C@H]1CCc2ccccc21 ZINC000772175390 581292192 /nfs/dbraw/zinc/29/21/92/581292192.db2.gz MDMLJCAZXQRBOT-FQEVSTJZSA-N -1 1 334.419 2.857 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(Cl)ccc32)o1 ZINC000822423355 599338339 /nfs/dbraw/zinc/33/83/39/599338339.db2.gz KHIDBVGGBVSTNS-UHFFFAOYSA-N -1 1 329.751 2.579 20 30 EFEDMM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822159598 599339967 /nfs/dbraw/zinc/33/99/67/599339967.db2.gz BMZHSIUADGELLZ-UHFFFAOYSA-N -1 1 347.176 2.977 20 30 EFEDMM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822159598 599339968 /nfs/dbraw/zinc/33/99/68/599339968.db2.gz BMZHSIUADGELLZ-UHFFFAOYSA-N -1 1 347.176 2.977 20 30 EFEDMM CCCCC(COC)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736436208 599535292 /nfs/dbraw/zinc/53/52/92/599535292.db2.gz BHXYEFDHCFNYTN-UHFFFAOYSA-N -1 1 335.412 2.658 20 30 EFEDMM C#CCN(CCC(=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000736079798 600223853 /nfs/dbraw/zinc/22/38/53/600223853.db2.gz NYNUEUWCDYAVBA-CYBMUJFWSA-N -1 1 338.201 2.683 20 30 EFEDMM C#CCN(CCC(=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000736079807 600223880 /nfs/dbraw/zinc/22/38/80/600223880.db2.gz NYNUEUWCDYAVBA-ZDUSSCGKSA-N -1 1 338.201 2.683 20 30 EFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000739106128 600561913 /nfs/dbraw/zinc/56/19/13/600561913.db2.gz PZPOABQXFSXFKT-SFHVURJKSA-N -1 1 339.370 2.645 20 30 EFEDMM Cc1cccc(CN2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738707853 600562890 /nfs/dbraw/zinc/56/28/90/600562890.db2.gz GYJUEJWDXASZDS-FQEVSTJZSA-N -1 1 349.434 2.810 20 30 EFEDMM CC(C)Oc1ncccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493203 600593213 /nfs/dbraw/zinc/59/32/13/600593213.db2.gz NZASOBDTAHMLDR-MRXNPFEDSA-N -1 1 325.368 2.656 20 30 EFEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000827717911 601301869 /nfs/dbraw/zinc/30/18/69/601301869.db2.gz MVJKRRJCRSPKDM-ZBEGNZNMSA-N -1 1 325.324 2.943 20 30 EFEDMM Cc1cccc(CN2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832967118 601309631 /nfs/dbraw/zinc/30/96/31/601309631.db2.gz NLTXMUHZOPYRSF-FQEVSTJZSA-N -1 1 349.434 2.810 20 30 EFEDMM CN(Cc1ccc([S@](C)=O)cc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830840479 601385522 /nfs/dbraw/zinc/38/55/22/601385522.db2.gz OCYZJZMIPKQWHV-OSPHWJPCSA-N -1 1 342.420 2.553 20 30 EFEDMM Cc1sc(NC(=O)CNC2(C(=O)[O-])CCCCC2)c(C#N)c1C ZINC000821257471 601417984 /nfs/dbraw/zinc/41/79/84/601417984.db2.gz PDSWFJXRAMRTTK-UHFFFAOYSA-N -1 1 335.429 2.552 20 30 EFEDMM N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833074751 601570287 /nfs/dbraw/zinc/57/02/87/601570287.db2.gz AWHMIZZSEGZEOJ-SFHVURJKSA-N -1 1 336.391 2.901 20 30 EFEDMM Cc1sc(C(=O)[O-])cc1CON=C(N)c1ccc(N(C)C)cc1 ZINC000833030862 601633141 /nfs/dbraw/zinc/63/31/41/601633141.db2.gz DSLKMPXWSQPTDX-UHFFFAOYSA-N -1 1 333.413 2.658 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000825702138 601953505 /nfs/dbraw/zinc/95/35/05/601953505.db2.gz FQHAZADCFPFZJP-QGZVFWFLSA-N -1 1 334.441 2.700 20 30 EFEDMM O=C([O-])c1occc1CN=Nc1c(F)cc(C(=O)NC2CC2)cc1F ZINC000833129150 601956663 /nfs/dbraw/zinc/95/66/63/601956663.db2.gz DRQAAAOGUFUJGH-UHFFFAOYSA-N -1 1 349.293 2.594 20 30 EFEDMM C[C@@H](Oc1ccc(CN=Nc2cnnc3ccccc23)cc1)C(=O)[O-] ZINC000794912635 602075502 /nfs/dbraw/zinc/07/55/02/602075502.db2.gz IPLYVVTVBRMXEY-GFCCVEGCSA-N -1 1 336.351 2.928 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000825702677 602227864 /nfs/dbraw/zinc/22/78/64/602227864.db2.gz UJZKHZSYFLQAEU-OAHLLOKOSA-N -1 1 336.457 2.992 20 30 EFEDMM C=CCc1cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c(O)c(OC)c1 ZINC000833379387 604500615 /nfs/dbraw/zinc/50/06/15/604500615.db2.gz BNSPOWDRHLHBJG-UHFFFAOYSA-N -1 1 349.427 2.585 20 30 EFEDMM C=C(C)COc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833371096 604687534 /nfs/dbraw/zinc/68/75/34/604687534.db2.gz WEQUABXPYWYPEY-UHFFFAOYSA-N -1 1 348.380 2.536 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833697881 604968284 /nfs/dbraw/zinc/96/82/84/604968284.db2.gz MPTHHMKJLKNFJI-QCUKBLKESA-N -1 1 342.439 2.806 20 30 EFEDMM C[C@@H](Oc1ccc(CNCc2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000833539301 605090457 /nfs/dbraw/zinc/09/04/57/605090457.db2.gz HDDZJXIXLAWGEX-GFCCVEGCSA-N -1 1 328.343 2.839 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(-c3nn[nH]n3)s1)O2 ZINC000822210797 606391075 /nfs/dbraw/zinc/39/10/75/606391075.db2.gz RKKVUPQMWADBLD-IZZDOVSWSA-N -1 1 326.337 2.558 20 30 EFEDMM Cc1ncc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000823962936 608053659 /nfs/dbraw/zinc/05/36/59/608053659.db2.gz STQFAZFZQIFAOK-UHFFFAOYSA-N -1 1 346.420 2.753 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C(C)(C)C)n1 ZINC000826359949 608754823 /nfs/dbraw/zinc/75/48/23/608754823.db2.gz TZJKAVPWYALITH-AATRIKPKSA-N -1 1 342.428 2.855 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C(C)(C)C)n1 ZINC000826359949 608754824 /nfs/dbraw/zinc/75/48/24/608754824.db2.gz TZJKAVPWYALITH-AATRIKPKSA-N -1 1 342.428 2.855 20 30 EFEDMM CC[C@@H]1C[C@H](CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184826 609516855 /nfs/dbraw/zinc/51/68/55/609516855.db2.gz ZWQBCDAISYZVFT-GHMZBOCLSA-N -1 1 347.423 2.755 20 30 EFEDMM CCSc1ccccc1CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000921594358 1257527752 /nfs/dbraw/zinc/52/77/52/1257527752.db2.gz GXGHKSIVJJEZAZ-UHFFFAOYSA-N -1 1 336.438 2.784 20 30 EFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C(=O)[O-])o1 ZINC001272765252 1257685724 /nfs/dbraw/zinc/68/57/24/1257685724.db2.gz WSSZOHAGNHQOKE-SFHVURJKSA-N -1 1 332.400 2.511 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c([O-])c(F)c1 ZINC001272781939 1258009354 /nfs/dbraw/zinc/00/93/54/1258009354.db2.gz JEAOHKODIIDTSQ-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM N#CCCCN1CC[C@]2(CCCN2Cc2cc(F)c([O-])c(F)c2)C1=O ZINC001272784588 1258024812 /nfs/dbraw/zinc/02/48/12/1258024812.db2.gz WDTUKNXBVNTXGY-GOSISDBHSA-N -1 1 349.381 2.541 20 30 EFEDMM Nc1ncccc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001212395177 1259347864 /nfs/dbraw/zinc/34/78/64/1259347864.db2.gz JAAGLORTAWMERV-DJKKODMXSA-N -1 1 338.396 2.942 20 30 EFEDMM C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062149744 1260180410 /nfs/dbraw/zinc/18/04/10/1260180410.db2.gz IHQNRCFJIFPQQI-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062150483 1260181423 /nfs/dbraw/zinc/18/14/23/1260181423.db2.gz MHFKMUTXRDOYHS-LSDHHAIUSA-N -1 1 345.443 2.500 20 30 EFEDMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000007050623 1262885063 /nfs/dbraw/zinc/88/50/63/1262885063.db2.gz NAMYMBZUDGMFKU-UHFFFAOYSA-N -1 1 344.392 2.926 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000730996649 1264509216 /nfs/dbraw/zinc/50/92/16/1264509216.db2.gz VBLZTFWXBSPZOW-UHFFFAOYSA-N -1 1 347.392 2.517 20 30 EFEDMM C=C[C@H](CC)CC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079331 1266555293 /nfs/dbraw/zinc/55/52/93/1266555293.db2.gz XMKATCUWRTUSOT-HUUCEWRRSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1cccc2nc(C(C#N)=C([O-])[C@H]3Cc4ccccc4C(=O)O3)[nH]c21 ZINC000735790398 1267424908 /nfs/dbraw/zinc/42/49/08/1267424908.db2.gz XGBPIYSZEFDGMU-GDBMZVCRSA-N -1 1 345.358 2.829 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C(CC2CC2)c2ccccc2)c2ccccc21 ZINC000735971935 1267471201 /nfs/dbraw/zinc/47/12/01/1267471201.db2.gz DBSHTPWZUBVBSK-UHFFFAOYSA-N -1 1 339.420 2.930 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CCc3cc(Cl)ccc32)c2ccccc21 ZINC000743435910 1270589225 /nfs/dbraw/zinc/58/92/25/1270589225.db2.gz PSUIFMMVUXVZEL-UHFFFAOYSA-N -1 1 345.811 2.729 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000744515848 1271074007 /nfs/dbraw/zinc/07/40/07/1271074007.db2.gz AFGSLCCEFKOFBV-UHFFFAOYSA-N -1 1 338.327 2.636 20 30 EFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2cccc(C#N)c2)c1 ZINC000744808239 1271192740 /nfs/dbraw/zinc/19/27/40/1271192740.db2.gz ISRNLDOQVNBIDW-UHFFFAOYSA-N -1 1 339.347 2.631 20 30 EFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)CNc2ccc(C#N)cc2)c1 ZINC000744840667 1271195536 /nfs/dbraw/zinc/19/55/36/1271195536.db2.gz NKEGVUREDMFXJR-UHFFFAOYSA-N -1 1 338.363 2.664 20 30 EFEDMM O=C(NO)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000746263249 1271947428 /nfs/dbraw/zinc/94/74/28/1271947428.db2.gz FEOAVAXSHMYTQZ-UHFFFAOYSA-N -1 1 336.347 2.594 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)[C@H](C)c1ccccc1 ZINC000746368608 1272114927 /nfs/dbraw/zinc/11/49/27/1272114927.db2.gz GVYOUIWZWDCOKN-LBPRGKRZSA-N -1 1 327.409 2.905 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)c1 ZINC000103058141 1272642630 /nfs/dbraw/zinc/64/26/30/1272642630.db2.gz UUPLUQFJNSKCGD-UHFFFAOYSA-N -1 1 347.367 2.785 20 30 EFEDMM C[C@@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000746491214 1273734633 /nfs/dbraw/zinc/73/46/33/1273734633.db2.gz BWTBCDOJYARCQW-LLVKDONJSA-N -1 1 325.390 2.580 20 30 EFEDMM C[C@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746491842 1273740886 /nfs/dbraw/zinc/74/08/86/1273740886.db2.gz OFPNBEWLSHWCMV-NSHDSACASA-N -1 1 325.390 2.580 20 30 EFEDMM COC(=O)c1cc(N=Cc2ccc(O)c([O-])c2O)c(C)c([N+](=O)[O-])c1 ZINC000792567646 1278879223 /nfs/dbraw/zinc/87/92/23/1278879223.db2.gz AHYKJZTUUURFML-UHFFFAOYSA-N -1 1 346.295 2.557 20 30 EFEDMM CO[C@]1(C)CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1(C)C ZINC000746575608 1275359816 /nfs/dbraw/zinc/35/98/16/1275359816.db2.gz JIUXAJSPSNNNHJ-QGZVFWFLSA-N -1 1 346.435 2.890 20 30 EFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](F)(C#N)C2)c([O-])c1 ZINC000787377202 1275761605 /nfs/dbraw/zinc/76/16/05/1275761605.db2.gz ZRCHEHOYTJTPRQ-KRWDZBQOSA-N -1 1 349.362 2.817 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787831330 1275931673 /nfs/dbraw/zinc/93/16/73/1275931673.db2.gz JFIWOQUFVLXNFO-HNNXBMFYSA-N -1 1 334.734 2.520 20 30 EFEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000787846480 1275938751 /nfs/dbraw/zinc/93/87/51/1275938751.db2.gz YEZBOMZODPXXGY-OAHLLOKOSA-N -1 1 336.395 2.903 20 30 EFEDMM N#Cc1ccc(C(F)(F)F)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314061 1279009330 /nfs/dbraw/zinc/00/93/30/1279009330.db2.gz LKSXYFCRDXRWDC-UHFFFAOYSA-N -1 1 337.257 2.678 20 30 EFEDMM [O-]c1c(Br)cccc1C=NN[C@H](CO)c1ccccc1 ZINC000788469637 1276186564 /nfs/dbraw/zinc/18/65/64/1276186564.db2.gz QZMAQHVXJRUQDQ-CQSZACIVSA-N -1 1 335.201 2.812 20 30 EFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCCOC)s1 ZINC000819353652 1276739669 /nfs/dbraw/zinc/73/96/69/1276739669.db2.gz GTMKUGXJKGFSTO-UHFFFAOYSA-N -1 1 336.866 2.533 20 30 EFEDMM CCCCCCCCOCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819970703 1276955767 /nfs/dbraw/zinc/95/57/67/1276955767.db2.gz PXKXNEYIMMPUMF-CQSZACIVSA-N -1 1 339.436 2.858 20 30 EFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000815046260 1287266287 /nfs/dbraw/zinc/26/62/87/1287266287.db2.gz NOZQKJKTKQTFQU-LBPRGKRZSA-N -1 1 348.783 2.714 20 30 EFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000815046259 1287266459 /nfs/dbraw/zinc/26/64/59/1287266459.db2.gz NOZQKJKTKQTFQU-GFCCVEGCSA-N -1 1 348.783 2.714 20 30 EFEDMM C=CCOc1ccc(C=CC(=O)Nc2c(C)[n-][nH]c2=O)cc1OC ZINC000820401782 1277149185 /nfs/dbraw/zinc/14/91/85/1277149185.db2.gz FBEUNXMHFCBGKE-VURMDHGXSA-N -1 1 329.356 2.649 20 30 EFEDMM COc1cccc(S([O-])=CC(=O)O[C@@H](C#N)C2CCCCC2)c1 ZINC000820780882 1277325497 /nfs/dbraw/zinc/32/54/97/1277325497.db2.gz YSTLHQZCFROUCC-HJPURHCSSA-N -1 1 335.425 2.818 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000790308756 1277442569 /nfs/dbraw/zinc/44/25/69/1277442569.db2.gz MVDCPWWUJOXOSO-UHFFFAOYSA-N -1 1 333.275 2.672 20 30 EFEDMM CCOC(=O)[C@@H](C#N)[N-]c1c(F)c(Br)ccc1OCC ZINC001170369893 1279043130 /nfs/dbraw/zinc/04/31/30/1279043130.db2.gz RIUQWDPUBGFRGZ-SECBINFHSA-N -1 1 345.168 2.854 20 30 EFEDMM CCOC(=O)c1nn(C)cc1/C=C\C(=O)c1c(C)cc(C)cc1[O-] ZINC000792905373 1279257460 /nfs/dbraw/zinc/25/74/60/1279257460.db2.gz MAIXIBBHBZJFPV-SREVYHEPSA-N -1 1 328.368 2.815 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1F ZINC000793414312 1279604436 /nfs/dbraw/zinc/60/44/36/1279604436.db2.gz DBFWVYURNVZJKF-UHFFFAOYSA-N -1 1 342.355 2.888 20 30 EFEDMM C=CCOCc1nn(C)c2c1CN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144651664 1279954899 /nfs/dbraw/zinc/95/48/99/1279954899.db2.gz YGHJLVOTHAVIOP-UHFFFAOYSA-N -1 1 349.381 2.665 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)cc1 ZINC001144666721 1279971796 /nfs/dbraw/zinc/97/17/96/1279971796.db2.gz NHTQJFGPOLUUAO-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM N#Cc1ccccc1N1CCN(Cc2sccc2C(=O)[O-])CC1 ZINC001144665039 1279971866 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30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(CC1CC1)C1CCC1 ZINC001342082151 1332302580 /nfs/dbraw/zinc/30/25/80/1332302580.db2.gz LWCRKAGFNLBZQD-UHFFFAOYSA-N -1 1 328.420 2.719 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@H](C)CCSC ZINC001343629127 1332364238 /nfs/dbraw/zinc/36/42/38/1332364238.db2.gz REMOYYIZNPQGNE-LLVKDONJSA-N -1 1 336.465 2.528 20 30 EFEDMM N#CC(=C([O-])c1cc2n(n1)CCCC2)c1nccn1Cc1ccccc1 ZINC001343704141 1332371114 /nfs/dbraw/zinc/37/11/14/1332371114.db2.gz GYZOGWKCSZWOGR-QGZVFWFLSA-N -1 1 345.406 2.954 20 30 EFEDMM CCc1csc(-n2cc(C([O-])=C(C#N)c3nccn3CC)cn2)n1 ZINC001346095827 1332598221 /nfs/dbraw/zinc/59/82/21/1332598221.db2.gz KGGFGLABCVMJJE-CYBMUJFWSA-N -1 1 340.412 2.598 20 30 EFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C)C1 ZINC001346594088 1332659269 /nfs/dbraw/zinc/65/92/69/1332659269.db2.gz UOYNRXBNEKWUGC-GFCCVEGCSA-N -1 1 340.431 2.740 20 30 EFEDMM C=C(C)CCC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC001348449382 1332837879 /nfs/dbraw/zinc/83/78/79/1332837879.db2.gz YRBFLFDWLXQEDY-UHFFFAOYSA-N -1 1 327.384 2.995 20 30 EFEDMM C=CCNC(=S)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001200279432 1334040069 /nfs/dbraw/zinc/04/00/69/1334040069.db2.gz KUDGJZCQPLVQME-RQZCQDPDSA-N -1 1 345.453 2.694 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(F)(F)C[C@H]1C ZINC001356452956 1335038388 /nfs/dbraw/zinc/03/83/88/1335038388.db2.gz GBDMRZQIKFIPEZ-SNVBAGLBSA-N -1 1 338.362 2.574 20 30 EFEDMM C=CCCSCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000849425632 1335613267 /nfs/dbraw/zinc/61/32/67/1335613267.db2.gz AJIGRXMYVJFGOU-UHFFFAOYSA-N -1 1 341.285 2.976 20 30 EFEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)c(F)c1 ZINC001362111569 1336507949 /nfs/dbraw/zinc/50/79/49/1336507949.db2.gz SDCWTIGWCPWCDI-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001363579027 1336938727 /nfs/dbraw/zinc/93/87/27/1336938727.db2.gz VXOZFRXERJTFKC-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)cc(C#N)c1 ZINC001418946354 1374719022 /nfs/dbraw/zinc/71/90/22/1374719022.db2.gz OAQKOIUDBJFFAZ-UHFFFAOYSA-N -1 1 347.371 2.711 20 30 EFEDMM CCOC(=O)[C@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)CC(C)C ZINC001419960834 1376192500 /nfs/dbraw/zinc/19/25/00/1376192500.db2.gz JMCDAXSIOSHPQW-SFHVURJKSA-N -1 1 332.400 2.609 20 30 EFEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC001434237552 1387110730 /nfs/dbraw/zinc/11/07/30/1387110730.db2.gz RVLAYXKOCSLNQC-UHFFFAOYSA-N -1 1 341.798 2.880 20 30 EFEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1 ZINC001434308645 1387127355 /nfs/dbraw/zinc/12/73/55/1387127355.db2.gz OBPJYVVVBSRARV-INIZCTEOSA-N -1 1 338.363 2.607 20 30 EFEDMM COc1ccc([O-])c(S(=O)(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC001434559199 1387201893 /nfs/dbraw/zinc/20/18/93/1387201893.db2.gz XIRHUTMVLAOROQ-OAHLLOKOSA-N -1 1 346.408 2.724 20 30 EFEDMM N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC001471226236 1397151533 /nfs/dbraw/zinc/15/15/33/1397151533.db2.gz GQNRQCIXAJGJKP-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1ccc(NC(=O)C=CSc2ccccc2)cc1-c1nnn[n-]1 ZINC000737716366 1426572489 /nfs/dbraw/zinc/57/24/89/1426572489.db2.gz QCGUSXZMLZMOOX-CMDGGOBGSA-N -1 1 348.391 2.983 20 30 EFEDMM CCCOc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736492736 1427037357 /nfs/dbraw/zinc/03/73/57/1427037357.db2.gz NZKJFNSAGXDRCE-UHFFFAOYSA-N -1 1 348.366 2.779 20 30 EFEDMM C[C@@H](C#N)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735505679 1427675187 /nfs/dbraw/zinc/67/51/87/1427675187.db2.gz SDUOTPPPLQJFBI-LBPRGKRZSA-N -1 1 349.350 2.515 20 30 EFEDMM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)n1 ZINC000826360545 1428235699 /nfs/dbraw/zinc/23/56/99/1428235699.db2.gz OPXCNGUPXGXYRZ-UHFFFAOYSA-N -1 1 344.382 2.713 20 30 EFEDMM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825879982 1428400406 /nfs/dbraw/zinc/40/04/06/1428400406.db2.gz UKZRMCDFYADGSF-BJMVGYQFSA-N -1 1 337.358 2.968 20 30 EFEDMM N#Cc1ccsc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000822842436 1428420686 /nfs/dbraw/zinc/42/06/86/1428420686.db2.gz IHMCLSNTZRBWBX-UHFFFAOYSA-N -1 1 342.409 2.531 20 30 EFEDMM C=CCC[C@H](OC(=O)COc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823893966 1428423658 /nfs/dbraw/zinc/42/36/58/1428423658.db2.gz CQYZGUZEUHTLEO-HNNXBMFYSA-N -1 1 328.372 2.534 20 30 EFEDMM Cc1nn(C(C)(C)C)c(C)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826332699 1428719350 /nfs/dbraw/zinc/71/93/50/1428719350.db2.gz DCRNIFOXGFURNF-UHFFFAOYSA-N -1 1 338.419 2.881 20 30 EFEDMM Fc1cccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000822786019 1428784981 /nfs/dbraw/zinc/78/49/81/1428784981.db2.gz BDKYBZGESWYRCX-UHFFFAOYSA-N -1 1 336.330 2.809 20 30 EFEDMM CCC1(CC)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H]1OC ZINC000825165142 1428873393 /nfs/dbraw/zinc/87/33/93/1428873393.db2.gz UAALQNIZWRHWCE-LLVKDONJSA-N -1 1 349.826 2.908 20 30 EFEDMM C(=Nn1cnc2ccccc21)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819718224 1428893955 /nfs/dbraw/zinc/89/39/55/1428893955.db2.gz BKQFCFGIWRLBST-UHFFFAOYSA-N -1 1 328.339 2.580 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735505022 1428922419 /nfs/dbraw/zinc/92/24/19/1428922419.db2.gz REPCGDFCOXFKGG-LBPRGKRZSA-N -1 1 348.366 2.544 20 30 EFEDMM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737589376 1428944644 /nfs/dbraw/zinc/94/46/44/1428944644.db2.gz DAXHEIZYRFSLSI-VOTSOKGWSA-N -1 1 349.181 2.803 20 30 EFEDMM Cc1cc(C#N)cc(C)c1OCCOc1ccccc1-c1nnn[n-]1 ZINC000826256402 1428955659 /nfs/dbraw/zinc/95/56/59/1428955659.db2.gz HYXLPKAWOYWASW-UHFFFAOYSA-N -1 1 335.367 2.813 20 30 EFEDMM O=S1(=O)[N-]/C(=N/[C@H]2C[C@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC001645799299 1416560918 /nfs/dbraw/zinc/56/09/18/1416560918.db2.gz CYMWUWKNBXQRKG-MQMHXKEQSA-N -1 1 330.384 2.810 20 30 EFEDMM Cc1cc(C#N)cnc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001645805671 1416561228 /nfs/dbraw/zinc/56/12/28/1416561228.db2.gz JGFXVKBPBYBTJG-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000108250142 1416813708 /nfs/dbraw/zinc/81/37/08/1416813708.db2.gz GCUUKXONXYEPTJ-UHFFFAOYSA-N -1 1 346.364 2.716 20 30 EFEDMM COc1ccc(C=C2CCOc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083979 1429188066 /nfs/dbraw/zinc/18/80/66/1429188066.db2.gz QOXUBUDCTDZGER-JLHYYAGUSA-N -1 1 348.362 2.924 20 30 EFEDMM Clc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cn1 ZINC000822579092 1429194273 /nfs/dbraw/zinc/19/42/73/1429194273.db2.gz VRPJAWRXSIMJBM-UHFFFAOYSA-N -1 1 338.762 2.842 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(O)c1 ZINC000821770509 1429199946 /nfs/dbraw/zinc/19/99/46/1429199946.db2.gz VPDZEZFGPSERPY-HYXAFXHYSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(O)c1 ZINC000821770509 1429199953 /nfs/dbraw/zinc/19/99/53/1429199953.db2.gz VPDZEZFGPSERPY-HYXAFXHYSA-N -1 1 328.353 2.539 20 30 EFEDMM CCCCSCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736462230 1429337307 /nfs/dbraw/zinc/33/73/07/1429337307.db2.gz CZXVARXRLFAROJ-UHFFFAOYSA-N -1 1 330.417 2.600 20 30 EFEDMM Cc1cn(Cc2cc(Cl)ccc2OCC#N)cc1-c1nnn[n-]1 ZINC000822384046 1429340120 /nfs/dbraw/zinc/34/01/20/1429340120.db2.gz FTCQCCWOUJCGCQ-UHFFFAOYSA-N -1 1 328.763 2.581 20 30 EFEDMM C=C(Cl)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735401960 1429367465 /nfs/dbraw/zinc/36/74/65/1429367465.db2.gz BJYVPMOCGJSAEN-UHFFFAOYSA-N -1 1 348.838 2.787 20 30 EFEDMM N#Cc1ccc(F)c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822829701 1429431953 /nfs/dbraw/zinc/43/19/53/1429431953.db2.gz FBUNITQRWKPSRI-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455339 1429453967 /nfs/dbraw/zinc/45/39/67/1429453967.db2.gz HIHXEICATDRHOT-SECBINFHSA-N -1 1 325.763 2.960 20 30 EFEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(F)c1 ZINC000737807014 1429487535 /nfs/dbraw/zinc/48/75/35/1429487535.db2.gz MXVOQFQDEHWYQR-AATRIKPKSA-N -1 1 334.314 2.550 20 30 EFEDMM COc1cc(C)cc2c1OCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826178330 1429508900 /nfs/dbraw/zinc/50/89/00/1429508900.db2.gz SVCAUDYBZAKDLG-UKTHLTGXSA-N -1 1 348.362 2.842 20 30 EFEDMM Cc1cc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)[nH]1 ZINC000822194081 1423381203 /nfs/dbraw/zinc/38/12/03/1423381203.db2.gz HYSPRUQMJJXJDJ-UHFFFAOYSA-N -1 1 328.380 2.543 20 30 EFEDMM CC(C)n1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cn1 ZINC000823958119 1423403314 /nfs/dbraw/zinc/40/33/14/1423403314.db2.gz CVFUSFICMYGZET-UHFFFAOYSA-N -1 1 345.798 2.529 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cnn(C(C)C)c1 ZINC000823958119 1423403318 /nfs/dbraw/zinc/40/33/18/1423403318.db2.gz CVFUSFICMYGZET-UHFFFAOYSA-N -1 1 345.798 2.529 20 30 EFEDMM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cnn(C(C)C)c1 ZINC000823958119 1423403322 /nfs/dbraw/zinc/40/33/22/1423403322.db2.gz CVFUSFICMYGZET-UHFFFAOYSA-N -1 1 345.798 2.529 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CCC[C@H]2Cc2ccccc2)o1 ZINC000737468080 1429644861 /nfs/dbraw/zinc/64/48/61/1429644861.db2.gz YCASDOOPZSYCKU-ZDUSSCGKSA-N -1 1 337.387 2.974 20 30 EFEDMM COc1ccc(C=NNc2cccc3cnccc32)cc1-c1nnn[n-]1 ZINC000737082844 1423638413 /nfs/dbraw/zinc/63/84/13/1423638413.db2.gz KZTKDMCGCPHTLD-UHFFFAOYSA-N -1 1 345.366 2.870 20 30 EFEDMM CC[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736313759 1423735185 /nfs/dbraw/zinc/73/51/85/1423735185.db2.gz PLIIQEGHVNARQZ-OAHLLOKOSA-N -1 1 332.367 2.871 20 30 EFEDMM C=CCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735416685 1423735379 /nfs/dbraw/zinc/73/53/79/1423735379.db2.gz OPKJOJNGBGPRTO-UHFFFAOYSA-N -1 1 337.339 2.787 20 30 EFEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(-n2ccnc2)cs1 ZINC000823868145 1423838750 /nfs/dbraw/zinc/83/87/50/1423838750.db2.gz OQFMVPWSYXVNDX-UHFFFAOYSA-N -1 1 336.384 2.560 20 30 EFEDMM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1O ZINC000826177054 1424183062 /nfs/dbraw/zinc/18/30/62/1424183062.db2.gz PUHPKBAHUYJXPY-UTCJRWHESA-N -1 1 340.314 2.616 20 30 EFEDMM CC(C)n1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000824371359 1424554076 /nfs/dbraw/zinc/55/40/76/1424554076.db2.gz BOWVCUNCJRQEOG-XQRVVYSFSA-N -1 1 326.335 2.679 20 30 EFEDMM C=C(C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823874144 1424741864 /nfs/dbraw/zinc/74/18/64/1424741864.db2.gz UEAJKCPIHAOCMA-UHFFFAOYSA-N -1 1 330.392 2.694 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)COC2 ZINC000826400567 1424854005 /nfs/dbraw/zinc/85/40/05/1424854005.db2.gz BLPRVRNCKWGHIF-QHHAFSJGSA-N -1 1 336.326 2.932 20 30 EFEDMM Cc1c(NC(=S)Nc2ccccc2C#N)cccc1-c1nnn[n-]1 ZINC000822116177 1425000844 /nfs/dbraw/zinc/00/08/44/1425000844.db2.gz NXEDDQLEFIRWGF-UHFFFAOYSA-N -1 1 335.396 2.856 20 30 EFEDMM CC[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccccc1 ZINC000736393314 1425083057 /nfs/dbraw/zinc/08/30/57/1425083057.db2.gz WIWVQXAYUBYSOW-ZDUSSCGKSA-N -1 1 337.412 2.959 20 30 EFEDMM CCN(Cc1ccnc(C#N)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825439735 1425107382 /nfs/dbraw/zinc/10/73/82/1425107382.db2.gz MECWRKZTDXGBNP-ZDUSSCGKSA-N -1 1 333.399 2.716 20 30 EFEDMM C=CCN(Cc1n[nH]c2ccccc12)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915188 1425133067 /nfs/dbraw/zinc/13/30/67/1425133067.db2.gz TZWYWOCPZSUAKC-UHFFFAOYSA-N -1 1 345.410 2.931 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1nnn[n-]1 ZINC000737718307 1425163895 /nfs/dbraw/zinc/16/38/95/1425163895.db2.gz HGRXSRBQCLZKFO-UHFFFAOYSA-N -1 1 340.293 2.928 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)CC#N)cc1 ZINC000822138179 1425202311 /nfs/dbraw/zinc/20/23/11/1425202311.db2.gz ZZRPRDQZDZOHOS-UHFFFAOYSA-N -1 1 348.366 2.563 20 30 EFEDMM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821786599 1425203566 /nfs/dbraw/zinc/20/35/66/1425203566.db2.gz GFLROZUEIZWNKU-UHFFFAOYSA-N -1 1 342.790 2.652 20 30 EFEDMM N#C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000826379919 1425216267 /nfs/dbraw/zinc/21/62/67/1425216267.db2.gz GXMMTUHEIHEKBD-INIZCTEOSA-N -1 1 339.399 2.815 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ncccc2c1 ZINC000819718430 1425227192 /nfs/dbraw/zinc/22/71/92/1425227192.db2.gz GQAWTTQAEMWKFE-UHFFFAOYSA-N -1 1 329.367 2.539 20 30 EFEDMM Cc1cc(NCC(C)(C)C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271518 1425453358 /nfs/dbraw/zinc/45/33/58/1425453358.db2.gz VQJHWXTZWLGZBO-UHFFFAOYSA-N -1 1 346.398 2.938 20 30 EFEDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)s1 ZINC000825632474 1425476409 /nfs/dbraw/zinc/47/64/09/1425476409.db2.gz UBJSTBCCTMTCOV-UHFFFAOYSA-N -1 1 326.385 2.811 20 30 EFEDMM COc1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000826203548 1425560724 /nfs/dbraw/zinc/56/07/24/1425560724.db2.gz UXAKSJGXPXROLA-UHFFFAOYSA-N -1 1 342.309 2.637 20 30 EFEDMM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403412 1425599893 /nfs/dbraw/zinc/59/98/93/1425599893.db2.gz RJKFMHDFHYRTEA-RJRFIUFISA-N -1 1 345.315 2.872 20 30 EFEDMM Cc1nn(-c2ccccc2)cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826332944 1425628728 /nfs/dbraw/zinc/62/87/28/1425628728.db2.gz NXNWSVNUDLZUJV-UHFFFAOYSA-N -1 1 344.382 2.807 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC000826190645 1425676458 /nfs/dbraw/zinc/67/64/58/1425676458.db2.gz IDRSZTQZNXPLGE-GORDUTHDSA-N -1 1 337.364 2.705 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000736676927 1425739704 /nfs/dbraw/zinc/73/97/04/1425739704.db2.gz WHZVWOMIENDAHO-UHFFFAOYSA-N -1 1 338.396 2.923 20 30 EFEDMM O=C(C=Cc1nccn1CC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000737806331 1425863047 /nfs/dbraw/zinc/86/30/47/1425863047.db2.gz FORTYLBRMQTWDB-SNAWJCMRSA-N -1 1 348.288 2.522 20 30 EFEDMM Cc1ncsc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000822481736 1425928551 /nfs/dbraw/zinc/92/85/51/1425928551.db2.gz DFMVOYJQLOGLHN-AATRIKPKSA-N -1 1 340.412 2.584 20 30 EFEDMM C(=NNc1ccc2n[nH]cc2c1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823861850 1425964726 /nfs/dbraw/zinc/96/47/26/1425964726.db2.gz SBKQMTYHXDONHB-UHFFFAOYSA-N -1 1 343.354 2.670 20 30 EFEDMM C=CCSCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819758993 1425987413 /nfs/dbraw/zinc/98/74/13/1425987413.db2.gz KIDABLMPEYKYLB-UHFFFAOYSA-N -1 1 338.824 2.561 20 30 EFEDMM COc1ccc(C)cc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826190196 1426029214 /nfs/dbraw/zinc/02/92/14/1426029214.db2.gz SULWDGFHJNCSSQ-UHFFFAOYSA-N -1 1 343.778 2.678 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399674 1426029536 /nfs/dbraw/zinc/02/95/36/1426029536.db2.gz CAJAJOZYGZVGDF-RJRFIUFISA-N -1 1 346.268 2.886 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399674 1426029544 /nfs/dbraw/zinc/02/95/44/1426029544.db2.gz CAJAJOZYGZVGDF-RJRFIUFISA-N -1 1 346.268 2.886 20 30 EFEDMM Cc1ncsc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823958581 1426086270 /nfs/dbraw/zinc/08/62/70/1426086270.db2.gz RIOFJELOUPVWQV-UHFFFAOYSA-N -1 1 334.796 2.516 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1scnc1C ZINC000823958581 1426086273 /nfs/dbraw/zinc/08/62/73/1426086273.db2.gz RIOFJELOUPVWQV-UHFFFAOYSA-N -1 1 334.796 2.516 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202578 1426262822 /nfs/dbraw/zinc/26/28/22/1426262822.db2.gz NQZFLEVODKMBKA-BQYQJAHWSA-N -1 1 337.358 2.958 20 30 EFEDMM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403611 1426295146 /nfs/dbraw/zinc/29/51/46/1426295146.db2.gz XDKDTJSYPBHXEK-FNORWQNLSA-N -1 1 334.314 2.550 20 30 EFEDMM COc1ccc(C=CC(=O)c2cc(C)ccc2O)cc1-c1nnn[n-]1 ZINC000821786621 1426334522 /nfs/dbraw/zinc/33/45/22/1426334522.db2.gz GQWJXZCXUCDYOQ-DAXSKMNVSA-N -1 1 336.351 2.785 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822016035 1426438883 /nfs/dbraw/zinc/43/88/83/1426438883.db2.gz UGGPQISUEXZTAO-HJWRWDBZSA-N -1 1 335.323 2.979 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCC#Cc1ccccc1 ZINC000826252231 1426455001 /nfs/dbraw/zinc/45/50/01/1426455001.db2.gz VIMNSOMHXINSBA-UHFFFAOYSA-N -1 1 332.363 2.774 20 30 EFEDMM C[C@@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1F ZINC000824604645 1426462635 /nfs/dbraw/zinc/46/26/35/1426462635.db2.gz CODQCGMNJGGIJP-SNVBAGLBSA-N -1 1 340.337 2.867 20 30 EFEDMM C(=NOCCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819718914 1426487420 /nfs/dbraw/zinc/48/74/20/1426487420.db2.gz UGLLMJBDJDDJRX-UHFFFAOYSA-N -1 1 329.385 2.748 20 30 EFEDMM C[C@@H](Nc1cc(C#N)nc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820456307 1426502728 /nfs/dbraw/zinc/50/27/28/1426502728.db2.gz RWCQOHDFJHZDRJ-GFCCVEGCSA-N -1 1 341.378 2.882 20 30 EFEDMM C=C(Br)CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000819719002 1426529290 /nfs/dbraw/zinc/52/92/90/1426529290.db2.gz WRZATAUPXLJPPC-UHFFFAOYSA-N -1 1 331.177 2.735 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(C(C)(C)C)s2)o1 ZINC000822423808 1426565328 /nfs/dbraw/zinc/56/53/28/1426565328.db2.gz OYCGJMJGZAYDON-UHFFFAOYSA-N -1 1 331.405 2.968 20 30 EFEDMM CC(C)(C#N)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824058890 1426671531 /nfs/dbraw/zinc/67/15/31/1426671531.db2.gz HHPWCUIUYYACAQ-UHFFFAOYSA-N -1 1 346.394 2.813 20 30 EFEDMM CCc1cnccc1C(C)=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825733658 1426711854 /nfs/dbraw/zinc/71/18/54/1426711854.db2.gz HUGDIYAUYXOFTA-UHFFFAOYSA-N -1 1 342.794 2.709 20 30 EFEDMM C=CCOc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000819758639 1426724354 /nfs/dbraw/zinc/72/43/54/1426724354.db2.gz CNOWFKPIPKGISF-UHFFFAOYSA-N -1 1 340.299 2.527 20 30 EFEDMM C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000824035310 1426777390 /nfs/dbraw/zinc/77/73/90/1426777390.db2.gz WQBQNPOBMZQKJL-SECBINFHSA-N -1 1 345.794 2.676 20 30 EFEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)OCCO2 ZINC000822922202 1426831589 /nfs/dbraw/zinc/83/15/89/1426831589.db2.gz DFSMTOYCHWAVOD-NSCUHMNNSA-N -1 1 340.364 2.596 20 30 EFEDMM CCc1cccnc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825728671 1426929403 /nfs/dbraw/zinc/92/94/03/1426929403.db2.gz VLVXPWHRVSAIOC-UHFFFAOYSA-N -1 1 342.794 2.709 20 30 EFEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1nccn1Cc1ccccc1 ZINC000735399914 1427075809 /nfs/dbraw/zinc/07/58/09/1427075809.db2.gz OCKJIRWLJZMRPW-UHFFFAOYSA-N -1 1 344.382 2.558 20 30 EFEDMM c1cn(Cc2ccccc2)c(CN=Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000735399914 1427075815 /nfs/dbraw/zinc/07/58/15/1427075815.db2.gz OCKJIRWLJZMRPW-UHFFFAOYSA-N -1 1 344.382 2.558 20 30 EFEDMM Cc1ccc2c(c1C)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000822280375 1427135095 /nfs/dbraw/zinc/13/50/95/1427135095.db2.gz LOACSUQQQQDDSH-UHFFFAOYSA-N -1 1 348.410 2.760 20 30 EFEDMM CSc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737192670 1427210063 /nfs/dbraw/zinc/21/00/63/1427210063.db2.gz VEXZLQKRZYOFPN-UHFFFAOYSA-N -1 1 342.409 2.774 20 30 EFEDMM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403079 1427300842 /nfs/dbraw/zinc/30/08/42/1427300842.db2.gz JIZNFPINDMRXJY-VURMDHGXSA-N -1 1 339.286 2.810 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1-c1nnn[n-]1 ZINC000737718075 1427308154 /nfs/dbraw/zinc/30/81/54/1427308154.db2.gz DWWYXQNFIXDYDJ-UHFFFAOYSA-N -1 1 348.297 2.876 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCO[C@H](C(C)C)C2)o1 ZINC000824352408 1427320527 /nfs/dbraw/zinc/32/05/27/1427320527.db2.gz CMKAKKXMEDVDSJ-NSHDSACASA-N -1 1 333.396 2.581 20 30 EFEDMM C=C(Cl)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735402159 1427354806 /nfs/dbraw/zinc/35/48/06/1427354806.db2.gz KIZRTAGPDCVAMC-UHFFFAOYSA-N -1 1 336.783 2.528 20 30 EFEDMM C#CC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000735374561 1427367247 /nfs/dbraw/zinc/36/72/47/1427367247.db2.gz DZLKXOZQLDSILR-WFTPILKQSA-N -1 1 345.362 2.583 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737730514 1427390966 /nfs/dbraw/zinc/39/09/66/1427390966.db2.gz MOOVJJRGNCWFQI-VMPITWQZSA-N -1 1 334.314 2.529 20 30 EFEDMM N#C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826380179 1427423135 /nfs/dbraw/zinc/42/31/35/1427423135.db2.gz QEDFSIPHOXZNBB-KRWDZBQOSA-N -1 1 344.378 2.566 20 30 EFEDMM C=C(C)COCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823877607 1427472090 /nfs/dbraw/zinc/47/20/90/1427472090.db2.gz AZZLVCVLWBPFGJ-UHFFFAOYSA-N -1 1 338.209 2.634 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(CC#N)cc1 ZINC000825608717 1427543889 /nfs/dbraw/zinc/54/38/89/1427543889.db2.gz CVZWYAZIYXNCJV-UHFFFAOYSA-N -1 1 335.367 2.910 20 30 EFEDMM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735977949 1427580190 /nfs/dbraw/zinc/58/01/90/1427580190.db2.gz XNNFFLXYLBRSMR-LBPRGKRZSA-N -1 1 332.367 2.871 20 30 EFEDMM C=CCCCCCN(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735408124 1427605740 /nfs/dbraw/zinc/60/57/40/1427605740.db2.gz GHWCSIFXAMMPFT-CQSZACIVSA-N -1 1 343.431 2.839 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826401392 1427620455 /nfs/dbraw/zinc/62/04/55/1427620455.db2.gz XJKRDJLLGNRWJU-KRXBUXKQSA-N -1 1 339.286 2.810 20 30 EFEDMM COCc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826164137 1427831576 /nfs/dbraw/zinc/83/15/76/1427831576.db2.gz COYBPGKRKGEVJG-UHFFFAOYSA-N -1 1 343.778 2.508 20 30 EFEDMM N#Cc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822823605 1427894484 /nfs/dbraw/zinc/89/44/84/1427894484.db2.gz UDMXEDAAHLNQJV-YVMONPNESA-N -1 1 334.314 2.529 20 30 EFEDMM COc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737147187 1427956805 /nfs/dbraw/zinc/95/68/05/1427956805.db2.gz LRCSEOGFPUCXFX-MDZDMXLPSA-N -1 1 349.394 2.828 20 30 EFEDMM N#Cc1ccc2c(c1)CCC(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000822837800 1427958714 /nfs/dbraw/zinc/95/87/14/1427958714.db2.gz TVPHLFKJONNZQB-OVCLIPMQSA-N -1 1 327.347 2.951 20 30 EFEDMM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000819750253 1427981148 /nfs/dbraw/zinc/98/11/48/1427981148.db2.gz BJFFBHAGUSOOAH-HNNXBMFYSA-N -1 1 338.396 2.681 20 30 EFEDMM CCc1cc(C#N)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825693974 1428018753 /nfs/dbraw/zinc/01/87/53/1428018753.db2.gz JELHXXXVASUSER-UHFFFAOYSA-N -1 1 338.396 2.923 20 30 EFEDMM C=CCN(Cc1ccc(N(C)C)nc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823909723 1428124881 /nfs/dbraw/zinc/12/48/81/1428124881.db2.gz ONEPPWNYACWTJJ-UHFFFAOYSA-N -1 1 349.442 2.516 20 30 EFEDMM C=CCN(Cc1ccc(N(C)C)nc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823909723 1428124889 /nfs/dbraw/zinc/12/48/89/1428124889.db2.gz ONEPPWNYACWTJJ-UHFFFAOYSA-N -1 1 349.442 2.516 20 30 EFEDMM C=CCOCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735438216 1429868813 /nfs/dbraw/zinc/86/88/13/1429868813.db2.gz YDFUBYRETSFKIE-UHFFFAOYSA-N -1 1 336.351 2.642 20 30 EFEDMM CCCCO[C@@H]1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)C1(C)C ZINC000821071556 1429892081 /nfs/dbraw/zinc/89/20/81/1429892081.db2.gz ILHGQZSZASMWHO-LLVKDONJSA-N -1 1 333.396 2.546 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821050618 1430001920 /nfs/dbraw/zinc/00/19/20/1430001920.db2.gz SLHUNVSKFMKSHV-GFCCVEGCSA-N -1 1 348.455 2.718 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)cnc12 ZINC000737437245 1430038889 /nfs/dbraw/zinc/03/88/89/1430038889.db2.gz YSTXJBQWHLQBRD-CMDGGOBGSA-N -1 1 330.351 2.719 20 30 EFEDMM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C#N)cc1F ZINC000825782317 1430060545 /nfs/dbraw/zinc/06/05/45/1430060545.db2.gz CHCMAWCTTFHNKN-UHFFFAOYSA-N -1 1 333.330 2.914 20 30 EFEDMM Cc1cc(C)c2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000822195259 1441442845 /nfs/dbraw/zinc/44/28/45/1441442845.db2.gz MCCDSQRCXFNFPV-UHFFFAOYSA-N -1 1 348.410 2.760 20 30 EFEDMM CC#CCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823943140 1441458073 /nfs/dbraw/zinc/45/80/73/1441458073.db2.gz OMHXWTHBMZEZLB-UHFFFAOYSA-N -1 1 349.419 2.771 20 30 EFEDMM O=[N+]([O-])c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826497992 1441502675 /nfs/dbraw/zinc/50/26/75/1441502675.db2.gz CDULUEGIODIBAE-UHFFFAOYSA-N -1 1 343.734 2.874 20 30 EFEDMM COc1ccc(C=CC(=O)c2cnc3[nH]cccc2-3)cc1-c1nnn[n-]1 ZINC000821787052 1441503556 /nfs/dbraw/zinc/50/35/56/1441503556.db2.gz NOLQFDYBTSKNNN-GQCTYLIASA-N -1 1 346.350 2.648 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)cnc12 ZINC000737436050 1441518061 /nfs/dbraw/zinc/51/80/61/1441518061.db2.gz QSULMLVCPSNDHD-BQYQJAHWSA-N -1 1 330.351 2.719 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(O)c(C)c2)cc1-c1nnn[n-]1 ZINC000737080899 1441523144 /nfs/dbraw/zinc/52/31/44/1441523144.db2.gz ILXFGJMYGWEBAO-UTCJRWHESA-N -1 1 336.351 2.785 20 30 EFEDMM C[C@H](C#N)Oc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824035314 1441546741 /nfs/dbraw/zinc/54/67/41/1441546741.db2.gz WTOHYZDQRBTLOU-LLVKDONJSA-N -1 1 338.346 2.909 20 30 EFEDMM C[C@H](Nc1cc(C#N)nc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820456308 1441546805 /nfs/dbraw/zinc/54/68/05/1441546805.db2.gz RWCQOHDFJHZDRJ-LBPRGKRZSA-N -1 1 341.378 2.882 20 30 EFEDMM C#CCN(Cc1ccc(F)cc1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819701714 1441559334 /nfs/dbraw/zinc/55/93/34/1441559334.db2.gz LITJRXZPQMBZOF-UHFFFAOYSA-N -1 1 339.349 2.780 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400641 1441568189 /nfs/dbraw/zinc/56/81/89/1441568189.db2.gz DGSTZEVPQWFZOL-RQOWECAXSA-N -1 1 345.315 2.872 20 30 EFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000822801346 1441569306 /nfs/dbraw/zinc/56/93/06/1441569306.db2.gz HFEHQMISKPUULM-CVEARBPZSA-N -1 1 331.383 2.538 20 30 EFEDMM Cc1ccc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1F ZINC000826288929 1441660410 /nfs/dbraw/zinc/66/04/10/1441660410.db2.gz CGCQGXZNVCFHAA-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM C#CCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccc(F)cc1 ZINC000823850034 1441679033 /nfs/dbraw/zinc/67/90/33/1441679033.db2.gz ILNNSSHHYWLFKQ-UHFFFAOYSA-N -1 1 327.388 2.703 20 30 EFEDMM Cc1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822362518 1441729411 /nfs/dbraw/zinc/72/94/11/1441729411.db2.gz XACVKBRYPRGIMT-UHFFFAOYSA-N -1 1 343.441 2.557 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC000737718289 1441735797 /nfs/dbraw/zinc/73/57/97/1441735797.db2.gz GUJBDFHQOVAWSS-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM N#Cc1csc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000822845677 1441776287 /nfs/dbraw/zinc/77/62/87/1441776287.db2.gz CJAFJOPOXSEAIC-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM CCn1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000825807668 1441790299 /nfs/dbraw/zinc/79/02/99/1441790299.db2.gz ULQDASFNHGOKLU-UHFFFAOYSA-N -1 1 344.810 2.799 20 30 EFEDMM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823962388 1441792056 /nfs/dbraw/zinc/79/20/56/1441792056.db2.gz JNQXHMDWBCDMDO-UHFFFAOYSA-N -1 1 336.384 2.708 20 30 EFEDMM Oc1ccc(Cl)cc1C=NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738401929 1441845349 /nfs/dbraw/zinc/84/53/49/1441845349.db2.gz XKEWYXBJNYEMMT-LSCVHKIXSA-N -1 1 331.738 2.984 20 30 EFEDMM N#Cc1nc(N)n(Cc2ccc(C3CCCCC3)cc2)c1-c1nnn[n-]1 ZINC000822845662 1441861562 /nfs/dbraw/zinc/86/15/62/1441861562.db2.gz BFGCARQDUPSYBE-UHFFFAOYSA-N -1 1 348.414 2.613 20 30 EFEDMM Cc1ccoc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000819782260 1441974027 /nfs/dbraw/zinc/97/40/27/1441974027.db2.gz JQIMYHCCLZJUPS-UHFFFAOYSA-N -1 1 329.364 2.890 20 30 EFEDMM Cc1cccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737392146 1442016621 /nfs/dbraw/zinc/01/66/21/1442016621.db2.gz PFPFPRPMFWIYTL-UHFFFAOYSA-N -1 1 332.367 2.618 20 30 EFEDMM C=C(C)CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000819723010 1442096141 /nfs/dbraw/zinc/09/61/41/1442096141.db2.gz UHKBDLUSOHPMBZ-UHFFFAOYSA-N -1 1 327.344 2.682 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826365571 1442190057 /nfs/dbraw/zinc/19/00/57/1442190057.db2.gz SVQXGVHPMZYOKA-OQFOIZHKSA-N -1 1 330.351 2.650 20 30 EFEDMM C=CCCCCCN(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735408577 1442218261 /nfs/dbraw/zinc/21/82/61/1442218261.db2.gz OSLJHRYQMQTDDO-UHFFFAOYSA-N -1 1 328.420 2.755 20 30 EFEDMM C[C@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513387 1442227811 /nfs/dbraw/zinc/22/78/11/1442227811.db2.gz YXXYCRLHLDEXOW-LBPRGKRZSA-N -1 1 333.351 2.851 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCSC ZINC000735418137 1442239618 /nfs/dbraw/zinc/23/96/18/1442239618.db2.gz BRHPKDWYAJVLEC-UHFFFAOYSA-N -1 1 331.445 2.525 20 30 EFEDMM COCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826165051 1442261503 /nfs/dbraw/zinc/26/15/03/1442261503.db2.gz CXKRVDLMRACAIO-SNAWJCMRSA-N -1 1 345.359 2.505 20 30 EFEDMM C#CCOc1cc(F)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000823856546 1442314303 /nfs/dbraw/zinc/31/43/03/1442314303.db2.gz SVQUSMOKTJXNEJ-UHFFFAOYSA-N -1 1 341.321 2.769 20 30 EFEDMM N#CCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC000822805641 1442353155 /nfs/dbraw/zinc/35/31/55/1442353155.db2.gz ALHJSDOELMXJJQ-UHFFFAOYSA-N -1 1 342.359 2.628 20 30 EFEDMM C#CCOc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000823856819 1442421762 /nfs/dbraw/zinc/42/17/62/1442421762.db2.gz ZSOGILJSQZHOBG-UHFFFAOYSA-N -1 1 348.362 2.544 20 30 EFEDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820461602 1443081651 /nfs/dbraw/zinc/08/16/51/1443081651.db2.gz NOWSCOVWZHNKBN-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736351315 1443085748 /nfs/dbraw/zinc/08/57/48/1443085748.db2.gz FKWMDGZBQKIVMO-AWEZNQCLSA-N -1 1 346.394 2.946 20 30 EFEDMM COc1cc(C#N)ccc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826177083 1443110558 /nfs/dbraw/zinc/11/05/58/1443110558.db2.gz QSWNLXUYYIEBQI-UHFFFAOYSA-N -1 1 346.394 2.526 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826257188 1443134305 /nfs/dbraw/zinc/13/43/05/1443134305.db2.gz RLJWVBCPQGVARC-GFCCVEGCSA-N -1 1 333.351 2.965 20 30 EFEDMM CC(C)(C)CN(CCC#N)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000735603072 1443361802 /nfs/dbraw/zinc/36/18/02/1443361802.db2.gz WQKMBPHSAYAFFM-UHFFFAOYSA-N -1 1 328.420 2.507 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)COc2c(F)ccc(F)c21 ZINC000826475327 1443369411 /nfs/dbraw/zinc/36/94/11/1443369411.db2.gz CDJSKFIDTXYRLG-XFFZJAGNSA-N -1 1 340.289 2.804 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C12CCC(CC1)C2 ZINC000823909350 1443460953 /nfs/dbraw/zinc/46/09/53/1443460953.db2.gz AENPTNRNCDSYIQ-UHFFFAOYSA-N -1 1 337.427 2.962 20 30 EFEDMM N#Cc1csc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826387691 1443471914 /nfs/dbraw/zinc/47/19/14/1443471914.db2.gz LHCCSSWBIOOGLS-UHFFFAOYSA-N -1 1 345.771 2.810 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000825039446 1443499409 /nfs/dbraw/zinc/49/94/09/1443499409.db2.gz RGXQIIHPUWELSH-CQSZACIVSA-N -1 1 349.398 2.863 20 30 EFEDMM Cc1cccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)c1 ZINC000822323454 1443545082 /nfs/dbraw/zinc/54/50/82/1443545082.db2.gz HAHOBJDNUKFDQR-UHFFFAOYSA-N -1 1 349.423 2.903 20 30 EFEDMM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000823958082 1443565345 /nfs/dbraw/zinc/56/53/45/1443565345.db2.gz BETLBSUQMJQFKH-LBPRGKRZSA-N -1 1 340.309 2.852 20 30 EFEDMM C=CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000819734322 1443571345 /nfs/dbraw/zinc/57/13/45/1443571345.db2.gz LWOPXNXDGJKLIR-HNNXBMFYSA-N -1 1 334.383 2.699 20 30 EFEDMM N#C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000826380187 1443605912 /nfs/dbraw/zinc/60/59/12/1443605912.db2.gz QIKNTTWTNCZXNH-SIFUEBAJSA-N -1 1 337.383 2.896 20 30 EFEDMM CCc1ncc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825750030 1443613204 /nfs/dbraw/zinc/61/32/04/1443613204.db2.gz ITAICZLQJVBLTP-UHFFFAOYSA-N -1 1 333.808 2.985 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cnc1Cl ZINC000822199095 1443624197 /nfs/dbraw/zinc/62/41/97/1443624197.db2.gz WMJPNVDUALKEKH-UHFFFAOYSA-N -1 1 346.782 2.781 20 30 EFEDMM CN(C(=O)c1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573420 1443625482 /nfs/dbraw/zinc/62/54/82/1443625482.db2.gz PNDYGPUPMNFXOG-UHFFFAOYSA-N -1 1 338.758 2.668 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825271046 1443681538 /nfs/dbraw/zinc/68/15/38/1443681538.db2.gz FYGDIJQPODFSRC-GFCCVEGCSA-N -1 1 348.451 2.818 20 30 EFEDMM N#CCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826381977 1443684664 /nfs/dbraw/zinc/68/46/64/1443684664.db2.gz IIUAFUJLHWHRNF-UHFFFAOYSA-N -1 1 338.758 2.838 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000737080791 1443743692 /nfs/dbraw/zinc/74/36/92/1443743692.db2.gz HJNYIQFAAYVCCC-YWEYNIOJSA-N -1 1 331.335 2.643 20 30 EFEDMM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1N(C)C ZINC000819773187 1443745994 /nfs/dbraw/zinc/74/59/94/1443745994.db2.gz RIUIHPQAJLIPAI-UHFFFAOYSA-N -1 1 339.378 2.908 20 30 EFEDMM O=C1c2cccc(F)c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504984 1443759638 /nfs/dbraw/zinc/75/96/38/1443759638.db2.gz WPBDCWHJKRTDDE-WDZFZDKYSA-N -1 1 340.289 2.804 20 30 EFEDMM COc1ccc(C=C2COc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000737084824 1443789042 /nfs/dbraw/zinc/78/90/42/1443789042.db2.gz WONIJHVKFVCDPS-WQLSENKSSA-N -1 1 334.335 2.534 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826384756 1443799534 /nfs/dbraw/zinc/79/95/34/1443799534.db2.gz IHEGXZCMXRVVCN-GQCTYLIASA-N -1 1 325.328 2.835 20 30 EFEDMM C[C@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735505579 1443800283 /nfs/dbraw/zinc/80/02/83/1443800283.db2.gz RKFKGNHEPCLEOK-GFCCVEGCSA-N -1 1 349.350 2.515 20 30 EFEDMM CCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000825733316 1443811537 /nfs/dbraw/zinc/81/15/37/1443811537.db2.gz BXGUTCPWMRUBGN-WAYWQWQTSA-N -1 1 329.360 2.921 20 30 EFEDMM N#CCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822814969 1443860462 /nfs/dbraw/zinc/86/04/62/1443860462.db2.gz MGIFQLAMSYLUAP-AATRIKPKSA-N -1 1 337.364 2.727 20 30 EFEDMM C=CCOCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1NCCC ZINC000819759534 1443877832 /nfs/dbraw/zinc/87/78/32/1443877832.db2.gz ZAJBCBJLMRJXSE-UHFFFAOYSA-N -1 1 344.419 2.610 20 30 EFEDMM Cc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)c(C#N)c1C ZINC000826337470 1443927350 /nfs/dbraw/zinc/92/73/50/1443927350.db2.gz PNPGOTHBXCOLNI-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(CC#N)cc1 ZINC000826253809 1443931501 /nfs/dbraw/zinc/93/15/01/1443931501.db2.gz FTQJXTSVIBJEEV-UHFFFAOYSA-N -1 1 333.351 2.598 20 30 EFEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(F)cc(F)cc21 ZINC000823504763 1443946839 /nfs/dbraw/zinc/94/68/39/1443946839.db2.gz UKRSTONKEMNBHL-XFSBKJJWSA-N -1 1 346.318 2.865 20 30 EFEDMM N#Cc1cccc(OCCNc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822837644 1443949421 /nfs/dbraw/zinc/94/94/21/1443949421.db2.gz QAOZOCMQUHNLTC-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000737717839 1443993378 /nfs/dbraw/zinc/99/33/78/1443993378.db2.gz BNRXXNRUMSPPEW-UHFFFAOYSA-N -1 1 330.307 2.737 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)n21 ZINC000822340695 1444023544 /nfs/dbraw/zinc/02/35/44/1444023544.db2.gz CQPREJPZKVEJFF-MDZDMXLPSA-N -1 1 330.351 2.719 20 30 EFEDMM C=CCOc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819758642 1444027265 /nfs/dbraw/zinc/02/72/65/1444027265.db2.gz CRDLQRKFXOFLSO-UHFFFAOYSA-N -1 1 335.367 2.613 20 30 EFEDMM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(C#N)cnc2ccccc21 ZINC000736822389 1444027953 /nfs/dbraw/zinc/02/79/53/1444027953.db2.gz MONGQGRDRGDKGB-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000736615719 1446107364 /nfs/dbraw/zinc/10/73/64/1446107364.db2.gz LHAPAANHHYAJHL-SNVBAGLBSA-N -1 1 333.396 2.581 20 30 EFEDMM CCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367467 1446174237 /nfs/dbraw/zinc/17/42/37/1446174237.db2.gz QMRIAFJQORBBRR-FMIVXFBMSA-N -1 1 344.378 2.805 20 30 EFEDMM C(=NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c(-c2ccccc2)n1 ZINC000735401169 1446194631 /nfs/dbraw/zinc/19/46/31/1446194631.db2.gz YOGYOZBVCUXNOQ-UHFFFAOYSA-N -1 1 330.355 2.703 20 30 EFEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c(-c2ccccc2)n1 ZINC000735401169 1446194636 /nfs/dbraw/zinc/19/46/36/1446194636.db2.gz YOGYOZBVCUXNOQ-UHFFFAOYSA-N -1 1 330.355 2.703 20 30 EFEDMM c1[nH]c(-c2ccccc2)nc1CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735401169 1446194641 /nfs/dbraw/zinc/19/46/41/1446194641.db2.gz YOGYOZBVCUXNOQ-UHFFFAOYSA-N -1 1 330.355 2.703 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1O ZINC000826190839 1446227004 /nfs/dbraw/zinc/22/70/04/1446227004.db2.gz PBVCGZJFARRUSJ-DUXPYHPUSA-N -1 1 328.353 2.539 20 30 EFEDMM C#CCNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823850810 1446263142 /nfs/dbraw/zinc/26/31/42/1446263142.db2.gz UPHGRRWDNJVBEV-ZDUSSCGKSA-N -1 1 346.394 2.527 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)n21 ZINC000822340694 1446323650 /nfs/dbraw/zinc/32/36/50/1446323650.db2.gz CQPREJPZKVEJFF-KTKRTIGZSA-N -1 1 330.351 2.719 20 30 EFEDMM C=CCN(CCc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823903703 1446323837 /nfs/dbraw/zinc/32/38/37/1446323837.db2.gz HWZSVSZZFPWZSR-UHFFFAOYSA-N -1 1 338.371 2.722 20 30 EFEDMM N#Cc1cccc(Cl)c1NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822837367 1446341224 /nfs/dbraw/zinc/34/12/24/1446341224.db2.gz LJVGNEBILHSJPC-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM N#Cc1ccc2nc(NCc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000826386571 1446352761 /nfs/dbraw/zinc/35/27/61/1446352761.db2.gz KIIXUFJPYXFTKD-UHFFFAOYSA-N -1 1 327.351 2.899 20 30 EFEDMM COc1ccc2[nH]cc(C=NNc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000737116688 1446384200 /nfs/dbraw/zinc/38/42/00/1446384200.db2.gz WKQUMLKLFPJDPN-UHFFFAOYSA-N -1 1 333.355 2.803 20 30 EFEDMM C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820495689 1446426089 /nfs/dbraw/zinc/42/60/89/1446426089.db2.gz IZYDUTSYNNASNC-CYBMUJFWSA-N -1 1 347.378 2.975 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccc21 ZINC000826365146 1446437195 /nfs/dbraw/zinc/43/71/95/1446437195.db2.gz CUFUCEXEXAHWBX-XVNBXDOJSA-N -1 1 348.341 2.789 20 30 EFEDMM COc1ccc(COc2c(C)cc(-c3nnn[n-]3)cc2C)cc1C#N ZINC000826206720 1446455122 /nfs/dbraw/zinc/45/51/22/1446455122.db2.gz IQXIMYYVWXSXQK-UHFFFAOYSA-N -1 1 335.367 2.943 20 30 EFEDMM C[C@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735505606 1446540555 /nfs/dbraw/zinc/54/05/55/1446540555.db2.gz RTPXHDHYZSVEHK-LLVKDONJSA-N -1 1 334.339 2.679 20 30 EFEDMM C[C@@H](OC(=O)c1ccc(C#N)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820512992 1446545996 /nfs/dbraw/zinc/54/59/96/1446545996.db2.gz RRSXPJHGLLZLTJ-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1 ZINC000737805918 1446579026 /nfs/dbraw/zinc/57/90/26/1446579026.db2.gz JDLHMOUSIPQBFG-VOTSOKGWSA-N -1 1 334.314 2.550 20 30 EFEDMM O=c1[nH]c2ccccc2cc1C=NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823732683 1446580778 /nfs/dbraw/zinc/58/07/78/1446580778.db2.gz NVYVPSIORGVVAU-KEBDBYFISA-N -1 1 348.341 2.879 20 30 EFEDMM CSc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737193072 1446669166 /nfs/dbraw/zinc/66/91/66/1446669166.db2.gz PQOIYXIWHNLHER-UHFFFAOYSA-N -1 1 336.380 2.713 20 30 EFEDMM CC[C@@H]1C[C@@H](CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184739 1446690713 /nfs/dbraw/zinc/69/07/13/1446690713.db2.gz YXAKFQOQANEISM-NWDGAFQWSA-N -1 1 347.423 2.656 20 30 EFEDMM C[C@H](NC(=S)Nc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820404576 1446730596 /nfs/dbraw/zinc/73/05/96/1446730596.db2.gz YNRRLOQDNZYBCC-NSHDSACASA-N -1 1 349.423 2.786 20 30 EFEDMM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823962260 1446776216 /nfs/dbraw/zinc/77/62/16/1446776216.db2.gz IKLIXXACSHEGKY-UHFFFAOYSA-N -1 1 329.345 2.673 20 30 EFEDMM CCc1nnc(Sc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548719 1446892214 /nfs/dbraw/zinc/89/22/14/1446892214.db2.gz VIEAPVMUFQKLAN-UHFFFAOYSA-N -1 1 337.412 2.804 20 30 EFEDMM C#C[C@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819689096 1446933478 /nfs/dbraw/zinc/93/34/78/1446933478.db2.gz UHGBMVALLQRTMO-ZDUSSCGKSA-N -1 1 348.362 2.624 20 30 EFEDMM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000737306972 1446981437 /nfs/dbraw/zinc/98/14/37/1446981437.db2.gz FGOXXVYNUVKWAX-SNAWJCMRSA-N -1 1 336.380 2.780 20 30 EFEDMM C=CCCOCCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000823899563 1447074567 /nfs/dbraw/zinc/07/45/67/1447074567.db2.gz YFVWKBRBLXCHCE-UHFFFAOYSA-N -1 1 327.310 2.890 20 30 EFEDMM CC(C)(C)CN(CCC#N)CCOc1ccccc1-c1nnn[n-]1 ZINC000735601915 1447080035 /nfs/dbraw/zinc/08/00/35/1447080035.db2.gz FSXWLNRBVYPXPN-UHFFFAOYSA-N -1 1 328.420 2.507 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736310077 1447096973 /nfs/dbraw/zinc/09/69/73/1447096973.db2.gz ULCACTCAZJIYCT-AWEZNQCLSA-N -1 1 335.371 2.555 20 30 EFEDMM C[C@H](OC(=O)c1cc(C#N)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820506896 1447211478 /nfs/dbraw/zinc/21/14/78/1447211478.db2.gz DDVQTTGJPHEYSW-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM C#CCOc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380110 1447237531 /nfs/dbraw/zinc/23/75/31/1447237531.db2.gz CPGMNACCEORHDM-UHFFFAOYSA-N -1 1 334.339 2.523 20 30 EFEDMM C[C@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000824034722 1447293911 /nfs/dbraw/zinc/29/39/11/1447293911.db2.gz NUVTUAIBNFDWKV-MRVPVSSYSA-N -1 1 345.769 2.803 20 30 EFEDMM C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148045 1447329775 /nfs/dbraw/zinc/32/97/75/1447329775.db2.gz FLEQEBLEWSWAKP-CYBMUJFWSA-N -1 1 347.378 2.975 20 30 EFEDMM N#Cc1cccc(C2(NCc3cccc(-c4nnn[n-]4)c3F)CC2)c1 ZINC000826386738 1449010867 /nfs/dbraw/zinc/01/08/67/1449010867.db2.gz QXDOEXXLIXZOQZ-UHFFFAOYSA-N -1 1 334.358 2.656 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204033 1449020415 /nfs/dbraw/zinc/02/04/15/1449020415.db2.gz XKJMQABWXPFCRC-HJWRWDBZSA-N -1 1 337.358 2.958 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)OCC ZINC000823874262 1449083297 /nfs/dbraw/zinc/08/32/97/1449083297.db2.gz UTJDPBHDTUAVEE-CYBMUJFWSA-N -1 1 346.435 2.733 20 30 EFEDMM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(-c2nn[n-]n2)cs1 ZINC000819751073 1449090553 /nfs/dbraw/zinc/09/05/53/1449090553.db2.gz OKLGWFLMAVHHOM-OAHLLOKOSA-N -1 1 338.396 2.681 20 30 EFEDMM CC(C)(C)c1nc(C#N)c(N=NCc2ccc(-c3nnn[n-]3)s2)o1 ZINC000819966077 1449292682 /nfs/dbraw/zinc/29/26/82/1449292682.db2.gz VOJIFGJYRPHFHA-UHFFFAOYSA-N -1 1 342.388 2.531 20 30 EFEDMM COc1cc(F)cc(NN=C(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821719346 1449335846 /nfs/dbraw/zinc/33/58/46/1449335846.db2.gz CFNJBZBXYTYKJZ-UHFFFAOYSA-N -1 1 326.335 2.851 20 30 EFEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(F)ccc(F)c21 ZINC000826475897 1449481270 /nfs/dbraw/zinc/48/12/70/1449481270.db2.gz VLMBVAKYSUSQGR-XVNBXDOJSA-N -1 1 346.318 2.865 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2c3ccccc3C[C@H]2C)o1 ZINC000820814189 1449533764 /nfs/dbraw/zinc/53/37/64/1449533764.db2.gz SJMBWMFLIHFHQN-SNVBAGLBSA-N -1 1 337.387 2.987 20 30 EFEDMM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403078 1449572143 /nfs/dbraw/zinc/57/21/43/1449572143.db2.gz JIZNFPINDMRXJY-SOFGYWHQSA-N -1 1 339.286 2.810 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1-c1nnn[n-]1 ZINC000737718624 1449604917 /nfs/dbraw/zinc/60/49/17/1449604917.db2.gz KZYDQSNIZAVPHM-UHFFFAOYSA-N -1 1 336.380 2.541 20 30 EFEDMM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)n1 ZINC000824261269 1449641350 /nfs/dbraw/zinc/64/13/50/1449641350.db2.gz GVTUYANQHVKWGG-UHFFFAOYSA-N -1 1 333.399 2.796 20 30 EFEDMM Clc1cc(NN=Cc2cnc3ccccn23)ccc1-c1nnn[n-]1 ZINC000826351602 1449677601 /nfs/dbraw/zinc/67/76/01/1449677601.db2.gz SIPWHVHSDYJLSF-UHFFFAOYSA-N -1 1 338.762 2.614 20 30 EFEDMM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820497999 1449740759 /nfs/dbraw/zinc/74/07/59/1449740759.db2.gz XPTQGMZTNKMARU-LBPRGKRZSA-N -1 1 333.351 2.585 20 30 EFEDMM CC(=NNCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953801 1449791856 /nfs/dbraw/zinc/79/18/56/1449791856.db2.gz QRAFGQYFGMKGGG-UHFFFAOYSA-N -1 1 328.326 2.659 20 30 EFEDMM COc1ccc(C=C2Cc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000737084820 1449825537 /nfs/dbraw/zinc/82/55/37/1449825537.db2.gz WLSDZCXXVZYSCY-SDQBBNPISA-N -1 1 336.326 2.837 20 30 EFEDMM Cc1ccnc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C#N ZINC000826309557 1449833206 /nfs/dbraw/zinc/83/32/06/1449833206.db2.gz SZZYDMGQDUNEBL-UHFFFAOYSA-N -1 1 331.383 2.611 20 30 EFEDMM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000826044520 1449841469 /nfs/dbraw/zinc/84/14/69/1449841469.db2.gz HAEHPQFDMBNVDH-XVNBXDOJSA-N -1 1 349.369 2.894 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737703273 1449862249 /nfs/dbraw/zinc/86/22/49/1449862249.db2.gz AXEAGGZUYOJAJN-JKSUJKDBSA-N -1 1 336.399 2.893 20 30 EFEDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1F ZINC000825480538 1449866894 /nfs/dbraw/zinc/86/68/94/1449866894.db2.gz BDEPESYKIWEUMV-UHFFFAOYSA-N -1 1 337.362 2.921 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000826365375 1450075059 /nfs/dbraw/zinc/07/50/59/1450075059.db2.gz LNIZHWJAGMLOLW-HWKANZROSA-N -1 1 336.380 2.711 20 30 EFEDMM COc1ccc(C=NNc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000737083261 1450088983 /nfs/dbraw/zinc/08/89/83/1450088983.db2.gz NIXZBLBLNSSEQJ-UHFFFAOYSA-N -1 1 330.298 2.600 20 30 EFEDMM C=CCOCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000735437371 1450176848 /nfs/dbraw/zinc/17/68/48/1450176848.db2.gz GFZAAXQLEAIYFO-UHFFFAOYSA-N -1 1 349.394 2.603 20 30 EFEDMM CC(C)n1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cn1 ZINC000820211119 1450281779 /nfs/dbraw/zinc/28/17/79/1450281779.db2.gz DZCDQQGYLKBCEA-AUWJEWJLSA-N -1 1 334.383 2.857 20 30 EFEDMM CCn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000821565138 1450283547 /nfs/dbraw/zinc/28/35/47/1450283547.db2.gz FVTGFSMSYBZYGO-UHFFFAOYSA-N -1 1 345.410 2.965 20 30 EFEDMM Clc1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737573025 1450284278 /nfs/dbraw/zinc/28/42/78/1450284278.db2.gz DGAKDTLMFWTMOI-UHFFFAOYSA-N -1 1 338.762 2.614 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC#N)CCC(C)C ZINC000826244014 1450406658 /nfs/dbraw/zinc/40/66/58/1450406658.db2.gz DVAQYPUXUHMJPJ-UHFFFAOYSA-N -1 1 326.404 2.577 20 30 EFEDMM Cn1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822690513 1450432221 /nfs/dbraw/zinc/43/22/21/1450432221.db2.gz ZYRZFIDTMWABAA-UHFFFAOYSA-N -1 1 335.293 2.670 20 30 EFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000160177052 712909832 /nfs/dbraw/zinc/90/98/32/712909832.db2.gz JQYHWEBNUWIBIM-JTQLQIEISA-N -1 1 329.381 2.675 20 30 EFEDMM C[C@@H](NC(=O)c1ccccc1O)C1CN(Cc2cccc(C#N)c2)C1 ZINC000969307602 713027560 /nfs/dbraw/zinc/02/75/60/713027560.db2.gz IDYGGQBTBAESEZ-CQSZACIVSA-N -1 1 335.407 2.514 20 30 EFEDMM COC(=O)COc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000254927998 713094825 /nfs/dbraw/zinc/09/48/25/713094825.db2.gz LZGVBXDTRNIKNQ-WAPJZHGLSA-N -1 1 330.311 2.979 20 30 EFEDMM N#Cc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)ccc1Cl ZINC000891621372 714872291 /nfs/dbraw/zinc/87/22/91/714872291.db2.gz IEQPJVSIJPHOLK-UHFFFAOYSA-N -1 1 328.759 2.838 20 30 EFEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000255560751 715931498 /nfs/dbraw/zinc/93/14/98/715931498.db2.gz PPQAQTMXFXABJO-FOSCPCJNSA-N -1 1 336.290 2.825 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)C#N)c2)cc1 ZINC000023416526 718165075 /nfs/dbraw/zinc/16/50/75/718165075.db2.gz OCWRDMAGWYIGGA-CYBMUJFWSA-N -1 1 344.392 2.865 20 30 EFEDMM C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2ncccc2[O-])C1 ZINC001029920328 724547477 /nfs/dbraw/zinc/54/74/77/724547477.db2.gz VDVRNFZAJSEIOJ-GOSISDBHSA-N -1 1 349.434 2.527 20 30 EFEDMM C=CCOc1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067093178 720303615 /nfs/dbraw/zinc/30/36/15/720303615.db2.gz AFFLBEAUEGELNA-UHFFFAOYSA-N -1 1 344.440 2.813 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 ZINC000028243551 720563575 /nfs/dbraw/zinc/56/35/75/720563575.db2.gz AVWRNTZLPFRFKV-UHFFFAOYSA-N -1 1 329.377 2.564 20 30 EFEDMM Cc1cc(C)n(N=Cc2ccc([O-])c(Br)c2)c(=O)c1C#N ZINC000917569075 728758619 /nfs/dbraw/zinc/75/86/19/728758619.db2.gz IEFRFZNXFXSZJQ-UHFFFAOYSA-N -1 1 346.184 2.687 20 30 EFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000179029379 723838019 /nfs/dbraw/zinc/83/80/19/723838019.db2.gz NQEADWDSJJJLHG-UHFFFAOYSA-N -1 1 340.360 2.774 20 30 EFEDMM C=CC[C@H](OC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000189214609 725441018 /nfs/dbraw/zinc/44/10/18/725441018.db2.gz YQIXARKRKIWNAN-AWEZNQCLSA-N -1 1 335.381 2.662 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2csc(Br)c2)c(=O)o1 ZINC000913615173 725746367 /nfs/dbraw/zinc/74/63/67/725746367.db2.gz BGWACYBWWJWDPA-DLGQBQFBSA-N -1 1 341.182 2.739 20 30 EFEDMM N#Cc1ccc(F)c(COC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000925270027 726152425 /nfs/dbraw/zinc/15/24/25/726152425.db2.gz QVKUCOHHEPUKPA-UHFFFAOYSA-N -1 1 337.310 2.946 20 30 EFEDMM O=c1nc(N=NCC(c2ccccc2)c2ccccc2)nc2[nH][n-]cc1-2 ZINC000731154396 726813211 /nfs/dbraw/zinc/81/32/11/726813211.db2.gz JTDWPDDAOJNIIX-UHFFFAOYSA-N -1 1 344.378 2.662 20 30 EFEDMM CCc1c2ccccc2oc1C(C)=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731154918 726813354 /nfs/dbraw/zinc/81/33/54/726813354.db2.gz KAUGKHSCLKFDEU-UHFFFAOYSA-N -1 1 336.355 2.577 20 30 EFEDMM Cc1ccccc1-c1cccc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c1 ZINC000731157047 726813681 /nfs/dbraw/zinc/81/36/81/726813681.db2.gz CTGYLLCEXVPBBY-UHFFFAOYSA-N -1 1 344.378 2.853 20 30 EFEDMM CCCCCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000915067965 726857166 /nfs/dbraw/zinc/85/71/66/726857166.db2.gz JGYXKBULDZMDGB-UHFFFAOYSA-N -1 1 330.450 2.668 20 30 EFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547082 726891786 /nfs/dbraw/zinc/89/17/86/726891786.db2.gz WUCVCFYFGUFVPP-CQSZACIVSA-N -1 1 327.271 2.695 20 30 EFEDMM C=C1CCC(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)CC1 ZINC000907414620 726935647 /nfs/dbraw/zinc/93/56/47/726935647.db2.gz ZNRXHOUBNHLDGX-AWEZNQCLSA-N -1 1 349.797 2.944 20 30 EFEDMM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000193532667 726985075 /nfs/dbraw/zinc/98/50/75/726985075.db2.gz MMGHHCQZGNKTOB-LLVKDONJSA-N -1 1 328.397 2.760 20 30 EFEDMM C=CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250693 727423804 /nfs/dbraw/zinc/42/38/04/727423804.db2.gz OGEWYVBRHJTSTP-SJORKVTESA-N -1 1 330.428 2.607 20 30 EFEDMM C=CCC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250693 727423805 /nfs/dbraw/zinc/42/38/05/727423805.db2.gz OGEWYVBRHJTSTP-SJORKVTESA-N -1 1 330.428 2.607 20 30 EFEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981305 727478578 /nfs/dbraw/zinc/47/85/78/727478578.db2.gz NHGOYLNEQATYQK-UHFFFAOYSA-N -1 1 348.353 2.969 20 30 EFEDMM Cn1c2ccccc2nc1N=NCc1ccc(OCCC(=O)[O-])cc1 ZINC000915967793 727643786 /nfs/dbraw/zinc/64/37/86/727643786.db2.gz OWVOWAUHMDOBPC-UHFFFAOYSA-N -1 1 338.367 2.873 20 30 EFEDMM CC(C)(C)NC(=S)NN=Cc1ccc([O-])c(Br)c1 ZINC000916343615 727678289 /nfs/dbraw/zinc/67/82/89/727678289.db2.gz KLGXRONPIQCNBZ-UHFFFAOYSA-N -1 1 330.251 2.751 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC#C[Si](C)(C)C ZINC000912333973 727699220 /nfs/dbraw/zinc/69/92/20/727699220.db2.gz LHEWMGCIINDWDG-UHFFFAOYSA-N -1 1 333.508 2.789 20 30 EFEDMM COc1ccc(C(=O)[N-]C(=O)CSc2ccc(C#N)cc2)cc1 ZINC000916671316 727717503 /nfs/dbraw/zinc/71/75/03/727717503.db2.gz BVJRXMVLPGPXSN-UHFFFAOYSA-N -1 1 326.377 2.616 20 30 EFEDMM CCCCCCCC[C@@H](C)CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494793 727849383 /nfs/dbraw/zinc/84/93/83/727849383.db2.gz CTDUSWOSPXGPAC-HUUCEWRRSA-N -1 1 337.468 2.876 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000156747138 727967539 /nfs/dbraw/zinc/96/75/39/727967539.db2.gz ARZFVBOVYZTFSG-UHFFFAOYSA-N -1 1 349.795 2.909 20 30 EFEDMM C#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000056216402 728003113 /nfs/dbraw/zinc/00/31/13/728003113.db2.gz NKZKRRBGJLKWKN-UHFFFAOYSA-N -1 1 347.367 2.725 20 30 EFEDMM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000172936889 728611111 /nfs/dbraw/zinc/61/11/11/728611111.db2.gz YKOTVFGCDIGGFU-UHFFFAOYSA-N -1 1 342.420 2.631 20 30 EFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000063878553 728653061 /nfs/dbraw/zinc/65/30/61/728653061.db2.gz CKHDKNCBHKCJPZ-UHFFFAOYSA-N -1 1 340.360 2.774 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000174416976 728664275 /nfs/dbraw/zinc/66/42/75/728664275.db2.gz AQHOANBZYQCCPB-CYBMUJFWSA-N -1 1 329.377 2.666 20 30 EFEDMM CCCCCCCCN1C(=O)C(=CN[C@@H](C)CC)C(=O)[N-]C1=S ZINC000920976777 729250178 /nfs/dbraw/zinc/25/01/78/729250178.db2.gz WHIQXMDMZAHFGP-BSHRGCEOSA-N -1 1 339.505 2.862 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000921254971 729279251 /nfs/dbraw/zinc/27/92/51/729279251.db2.gz VISPYLHBIFUZEA-UHFFFAOYSA-N -1 1 326.278 2.878 20 30 EFEDMM C=CCN(CC1CCCCC1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001573341720 947533581 /nfs/dbraw/zinc/53/35/81/947533581.db2.gz PEYZJLLJYMSMIR-UHFFFAOYSA-N -1 1 341.419 2.862 20 30 EFEDMM C=CCN(CC1CCCCC1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001573341720 947533591 /nfs/dbraw/zinc/53/35/91/947533591.db2.gz PEYZJLLJYMSMIR-UHFFFAOYSA-N -1 1 341.419 2.862 20 30 EFEDMM CC1(C#N)CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC1 ZINC001589182251 956534143 /nfs/dbraw/zinc/53/41/43/956534143.db2.gz VYHQOBOHJSGENH-UHFFFAOYSA-N -1 1 331.416 2.706 20 30 EFEDMM C[C@@H]1CC[C@H](C(=O)[O-])N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001594219463 959359318 /nfs/dbraw/zinc/35/93/18/959359318.db2.gz XEUBIEWUVLVYMN-BXUZGUMPSA-N -1 1 327.302 2.874 20 30 EFEDMM CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC001588989771 962803083 /nfs/dbraw/zinc/80/30/83/962803083.db2.gz YJSFTALJLXDVPZ-LRDDRELGSA-N -1 1 349.456 2.718 20 30 EFEDMM CC(C)[C@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC001588989772 962803278 /nfs/dbraw/zinc/80/32/78/962803278.db2.gz YJSFTALJLXDVPZ-WBMJQRKESA-N -1 1 349.456 2.718 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001573331788 962815867 /nfs/dbraw/zinc/81/58/67/962815867.db2.gz AUUQTRLJEVIKIJ-KRWDZBQOSA-N -1 1 330.428 2.530 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC001573331788 962815885 /nfs/dbraw/zinc/81/58/85/962815885.db2.gz AUUQTRLJEVIKIJ-KRWDZBQOSA-N -1 1 330.428 2.530 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC001573336883 962862063 /nfs/dbraw/zinc/86/20/63/962862063.db2.gz HVIUXLQQFLWIAQ-UHFFFAOYSA-N -1 1 336.351 2.984 20 30 EFEDMM CN(CCCC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001604161312 972576012 /nfs/dbraw/zinc/57/60/12/972576012.db2.gz CNGRLFVYGFABGI-UHFFFAOYSA-N -1 1 349.456 2.624 20 30 EFEDMM N#Cc1ccc(Cl)cc1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC001605611241 973916327 /nfs/dbraw/zinc/91/63/27/973916327.db2.gz MNKSXFMNYJDMFK-AWEZNQCLSA-N -1 1 349.818 2.869 20 30 EFEDMM COCCOCc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000807957972 978851128 /nfs/dbraw/zinc/85/11/28/978851128.db2.gz FFGPWJRBAAZPSE-UHFFFAOYSA-N -1 1 328.368 2.994 20 30 EFEDMM O=C([O-])COc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000833253075 979130034 /nfs/dbraw/zinc/13/00/34/979130034.db2.gz ZNWIHBNUFFXSDN-BAQGIRSFSA-N -1 1 343.291 2.660 20 30 EFEDMM CCC(CC)(NCC(=O)N(CCC#N)c1cccc(C)c1C)C(=O)[O-] ZINC001595097670 979394614 /nfs/dbraw/zinc/39/46/14/979394614.db2.gz FBRNFUWSHFFGRS-UHFFFAOYSA-N -1 1 345.443 2.783 20 30 EFEDMM C=C(Br)CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000905400802 981116638 /nfs/dbraw/zinc/11/66/38/981116638.db2.gz NUKBJJYUPLYFOC-LLVKDONJSA-N -1 1 334.597 2.973 20 30 EFEDMM CC[C@@](C)(C(=O)[O-])N(CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC001594778576 981778896 /nfs/dbraw/zinc/77/88/96/981778896.db2.gz VXILGUFTXWSXBV-SFHVURJKSA-N -1 1 349.475 2.637 20 30 EFEDMM C#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC001588517607 983565771 /nfs/dbraw/zinc/56/57/71/983565771.db2.gz XFGKOIFIWIQFKP-SFHVURJKSA-N -1 1 325.364 2.601 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC001588633137 983748261 /nfs/dbraw/zinc/74/82/61/983748261.db2.gz BTULUQOCTRKQAR-UHFFFAOYSA-N -1 1 348.468 2.903 20 30 EFEDMM C=CC[C@H](C(=O)[O-])N1CCc2c(F)ccc(Br)c2C1 ZINC001588732039 984014755 /nfs/dbraw/zinc/01/47/55/984014755.db2.gz UXOOUGVPEMGANE-CYBMUJFWSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCCCN(CC)Cn1nc(C(=O)[O-])c(Br)c1C ZINC001588801681 984246791 /nfs/dbraw/zinc/24/67/91/984246791.db2.gz SSENWSXCMKKHDC-UHFFFAOYSA-N -1 1 330.226 2.898 20 30 EFEDMM C=CCCc1ccccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001588814900 984274001 /nfs/dbraw/zinc/27/40/01/984274001.db2.gz XQSDWYDKIJVJLP-OAHLLOKOSA-N -1 1 345.443 2.818 20 30 EFEDMM C=CCCn1cc(COc2cc(C)nc(CCC)c2C(=O)[O-])nn1 ZINC001588820007 984280804 /nfs/dbraw/zinc/28/08/04/984280804.db2.gz MITNSQQNQPNKAC-UHFFFAOYSA-N -1 1 330.388 2.787 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001588879805 984459560 /nfs/dbraw/zinc/45/95/60/984459560.db2.gz QEFKRDKNFNPDLY-CHWSQXEVSA-N -1 1 334.441 2.698 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC001588920279 984576953 /nfs/dbraw/zinc/57/69/53/984576953.db2.gz WFSWOWCRRWPPTP-OLZOCXBDSA-N -1 1 326.190 2.580 20 30 EFEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001589016339 984994533 /nfs/dbraw/zinc/99/45/33/984994533.db2.gz HYSYPWLMTRSLGQ-UHFFFAOYSA-N -1 1 329.312 2.894 20 30 EFEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC001594502935 985694125 /nfs/dbraw/zinc/69/41/25/985694125.db2.gz VJPATBGSWRXKLQ-LERXQTSPSA-N -1 1 342.317 2.726 20 30 EFEDMM CCOCc1nc(C)cc(NN=Cc2cc(C(=O)[O-])c(CC)o2)n1 ZINC001596952403 986122556 /nfs/dbraw/zinc/12/25/56/986122556.db2.gz NTKPGDBRBAMNAL-UHFFFAOYSA-N -1 1 332.360 2.621 20 30 EFEDMM C[C@H](c1ccccc1)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001593714099 996227608 /nfs/dbraw/zinc/22/76/08/996227608.db2.gz STIBDAFOSKCVIE-CQSZACIVSA-N -1 1 336.395 2.535 20 30 EFEDMM CO[C@@]1(C(F)(F)F)CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599083466 997049691 /nfs/dbraw/zinc/04/96/91/997049691.db2.gz JTHLKTCEOYTWCI-ZFWWWQNUSA-N -1 1 342.317 2.727 20 30 EFEDMM COc1cc(OC)c(OC)cc1CN=Nc1cccc(F)c1C(=O)[O-] ZINC001599448977 998058587 /nfs/dbraw/zinc/05/85/87/998058587.db2.gz PGJLDDJXRJXPFG-UHFFFAOYSA-N -1 1 348.330 2.996 20 30 EFEDMM Cn1ccnc1C(C#N)=C([O-])c1sc(N2CCCC2)nc1Cl ZINC001646842774 1088356579 /nfs/dbraw/zinc/35/65/79/1088356579.db2.gz OIMGYHBLIZJERB-VIFPVBQESA-N -1 1 335.820 2.620 20 30 EFEDMM O=S1(=O)[N-]/C(=N/CC[C@H]2CCc3ccccc32)c2ccccc21 ZINC001647213712 1089094943 /nfs/dbraw/zinc/09/49/43/1089094943.db2.gz UAMWAYSMLUIIMR-CQSZACIVSA-N -1 1 326.421 2.845 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cc(C)ccc1C ZINC001576998861 1089575334 /nfs/dbraw/zinc/57/53/34/1089575334.db2.gz KJQVPFNTFWFEQD-ZDUSSCGKSA-N -1 1 334.387 2.708 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cc(C)ccc1C ZINC001576998861 1089575343 /nfs/dbraw/zinc/57/53/43/1089575343.db2.gz KJQVPFNTFWFEQD-ZDUSSCGKSA-N -1 1 334.387 2.708 20 30 EFEDMM N#Cc1cccc(C(=O)CSc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001581874988 1091329720 /nfs/dbraw/zinc/32/97/20/1091329720.db2.gz QVYBXQOWUGCZKS-UHFFFAOYSA-N -1 1 339.355 2.852 20 30 EFEDMM N#Cc1nc(Nc2cccc(-c3ccccc3)c2)cnc1-c1nnn[n-]1 ZINC001581881320 1091331052 /nfs/dbraw/zinc/33/10/52/1091331052.db2.gz WGLZLRBQQHKQFZ-UHFFFAOYSA-N -1 1 340.350 2.939 20 30 EFEDMM N#Cc1nc(Nc2cccc(-c3ccccc3)c2)cnc1-c1nn[n-]n1 ZINC001581881320 1091331060 /nfs/dbraw/zinc/33/10/60/1091331060.db2.gz WGLZLRBQQHKQFZ-UHFFFAOYSA-N -1 1 340.350 2.939 20 30 EFEDMM CCOc1c(Cl)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000782301118 1092210227 /nfs/dbraw/zinc/21/02/27/1092210227.db2.gz JYWCGXDBWLEOHR-MVGZEHJDSA-N -1 1 334.755 2.967 20 30 EFEDMM CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)n1 ZINC001650009565 1092877620 /nfs/dbraw/zinc/87/76/20/1092877620.db2.gz DSGDNPRLHSJGHS-UHFFFAOYSA-N -1 1 338.820 2.984 20 30 EFEDMM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC001588329506 1092925592 /nfs/dbraw/zinc/92/55/92/1092925592.db2.gz HTEXDXJZTPLZSW-NSHDSACASA-N -1 1 343.799 2.686 20 30 EFEDMM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC001588329506 1092925601 /nfs/dbraw/zinc/92/56/01/1092925601.db2.gz HTEXDXJZTPLZSW-NSHDSACASA-N -1 1 343.799 2.686 20 30 EFEDMM C#C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(Cl)cc1F ZINC001588329122 1092926351 /nfs/dbraw/zinc/92/63/51/1092926351.db2.gz YGLOMLSMUWJGAK-GFCCVEGCSA-N -1 1 343.753 2.544 20 30 EFEDMM C#C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(Cl)cc1F ZINC001588329122 1092926355 /nfs/dbraw/zinc/92/63/55/1092926355.db2.gz YGLOMLSMUWJGAK-GFCCVEGCSA-N -1 1 343.753 2.544 20 30 EFEDMM C#C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC001588329070 1092926450 /nfs/dbraw/zinc/92/64/50/1092926450.db2.gz XDJBGPFBVWUWSF-CQSZACIVSA-N -1 1 327.351 2.596 20 30 EFEDMM C#C[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC001588329070 1092926452 /nfs/dbraw/zinc/92/64/52/1092926452.db2.gz XDJBGPFBVWUWSF-CQSZACIVSA-N -1 1 327.351 2.596 20 30 EFEDMM C=C(Cl)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(C)cc(Cl)c21 ZINC001588448289 1092947588 /nfs/dbraw/zinc/94/75/88/1092947588.db2.gz UMZSJKVPVDBBFJ-UHFFFAOYSA-N -1 1 336.182 2.896 20 30 EFEDMM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588486680 1092949593 /nfs/dbraw/zinc/94/95/93/1092949593.db2.gz HZNKLELXAOBXCL-UHFFFAOYSA-N -1 1 334.811 2.637 20 30 EFEDMM C=CCC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588556812 1092957542 /nfs/dbraw/zinc/95/75/42/1092957542.db2.gz UIELEPNQOQEDKX-UHFFFAOYSA-N -1 1 327.388 2.832 20 30 EFEDMM C=CCC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588556812 1092957551 /nfs/dbraw/zinc/95/75/51/1092957551.db2.gz UIELEPNQOQEDKX-UHFFFAOYSA-N -1 1 327.388 2.832 20 30 EFEDMM C=CCC1(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001588556950 1092958518 /nfs/dbraw/zinc/95/85/18/1092958518.db2.gz WBILNVLZTIMSSA-UHFFFAOYSA-N -1 1 342.403 2.735 20 30 EFEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588560407 1092961469 /nfs/dbraw/zinc/96/14/69/1092961469.db2.gz PYSOVNHMSXGSNP-CMPLNLGQSA-N -1 1 346.822 2.780 20 30 EFEDMM C=CCC1(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCCC1 ZINC001588557798 1092962113 /nfs/dbraw/zinc/96/21/13/1092962113.db2.gz UZKDWSIQXWPXKT-UHFFFAOYSA-N -1 1 333.342 2.764 20 30 EFEDMM C=CCC1(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCCC1 ZINC001588557798 1092962121 /nfs/dbraw/zinc/96/21/21/1092962121.db2.gz UZKDWSIQXWPXKT-UHFFFAOYSA-N -1 1 333.342 2.764 20 30 EFEDMM C=CCCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588593895 1092968441 /nfs/dbraw/zinc/96/84/41/1092968441.db2.gz KVUUVTWVNWBBAH-UHFFFAOYSA-N -1 1 328.420 2.908 20 30 EFEDMM C=CCCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001588593895 1092968451 /nfs/dbraw/zinc/96/84/51/1092968451.db2.gz KVUUVTWVNWBBAH-UHFFFAOYSA-N -1 1 328.420 2.908 20 30 EFEDMM C=CCCNc1cc(NCCC=C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588609177 1092970573 /nfs/dbraw/zinc/97/05/73/1092970573.db2.gz KSSWPZSMXYNHED-UHFFFAOYSA-N -1 1 329.364 2.751 20 30 EFEDMM C=CCCNc1cc(NCCC=C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588609177 1092970580 /nfs/dbraw/zinc/97/05/80/1092970580.db2.gz KSSWPZSMXYNHED-UHFFFAOYSA-N -1 1 329.364 2.751 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC001588725640 1092980217 /nfs/dbraw/zinc/98/02/17/1092980217.db2.gz JCGSEPBUCSEQBY-KOLCDFICSA-N -1 1 347.444 2.755 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC001588725640 1092980228 /nfs/dbraw/zinc/98/02/28/1092980228.db2.gz JCGSEPBUCSEQBY-KOLCDFICSA-N -1 1 347.444 2.755 20 30 EFEDMM CC(=NN[C@@H]1CC(C)(C)OC1(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC001588776655 1092991892 /nfs/dbraw/zinc/99/18/92/1092991892.db2.gz ZQOUMQCIYWNLEJ-GFCCVEGCSA-N -1 1 334.449 2.588 20 30 EFEDMM Cc1nc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(C)s1 ZINC001588781066 1092993807 /nfs/dbraw/zinc/99/38/07/1092993807.db2.gz BFUBZWZTHJGZPU-UHFFFAOYSA-N -1 1 346.420 2.888 20 30 EFEDMM CC(C)O[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC001589737526 1093128918 /nfs/dbraw/zinc/12/89/18/1093128918.db2.gz MGTYYSLBLQSCII-LLVKDONJSA-N -1 1 347.423 2.970 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3[nH]ccc3c2)o1 ZINC001589773626 1093143645 /nfs/dbraw/zinc/14/36/45/1093143645.db2.gz GNOJQFWRYVHXJR-UHFFFAOYSA-N -1 1 336.359 2.905 20 30 EFEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cccc2ccccc21 ZINC001589987106 1093212212 /nfs/dbraw/zinc/21/22/12/1093212212.db2.gz DWACKKLYBWLAMN-LLVKDONJSA-N -1 1 342.366 2.855 20 30 EFEDMM C[C@H](c1ccc(Cn2cnc(-c3nn[n-]n3)c2C#N)cc1)C(F)(F)F ZINC001590039988 1093234775 /nfs/dbraw/zinc/23/47/75/1093234775.db2.gz KGWGHBCOLKXDIG-SECBINFHSA-N -1 1 347.304 2.649 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001590049425 1093245746 /nfs/dbraw/zinc/24/57/46/1093245746.db2.gz PLNOCBAHZNSPRW-SNVBAGLBSA-N -1 1 338.396 2.633 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001590049425 1093245749 /nfs/dbraw/zinc/24/57/49/1093245749.db2.gz PLNOCBAHZNSPRW-SNVBAGLBSA-N -1 1 338.396 2.633 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@]2(C)CCCS2)o1 ZINC001590120532 1093274284 /nfs/dbraw/zinc/27/42/84/1093274284.db2.gz PTWMCHFDZPBSNW-CQSZACIVSA-N -1 1 335.437 2.836 20 30 EFEDMM CCC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC001590358914 1093389029 /nfs/dbraw/zinc/38/90/29/1093389029.db2.gz LCBZQRUEWJEJNP-UHFFFAOYSA-N -1 1 336.355 2.791 20 30 EFEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1ccncc1 ZINC001590359021 1093391173 /nfs/dbraw/zinc/39/11/73/1093391173.db2.gz DQSAZDSEAMOUBO-UHFFFAOYSA-N -1 1 340.391 2.674 20 30 EFEDMM CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1C ZINC001650601830 1093460659 /nfs/dbraw/zinc/46/06/59/1093460659.db2.gz JPNATBHOCWOARF-ZOPJHEKZSA-N -1 1 344.411 2.702 20 30 EFEDMM CCCCN(C)c1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001590600529 1093507623 /nfs/dbraw/zinc/50/76/23/1093507623.db2.gz LWSCUTXBOUXTBO-UHFFFAOYSA-N -1 1 349.402 2.508 20 30 EFEDMM COc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cc1C#N ZINC001650990778 1093516367 /nfs/dbraw/zinc/51/63/67/1093516367.db2.gz VPYVQDGYXMOEEH-UHFFFAOYSA-N -1 1 333.347 2.751 20 30 EFEDMM CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590674350 1093543908 /nfs/dbraw/zinc/54/39/08/1093543908.db2.gz YSCZRDLHKNPFGP-NSHDSACASA-N -1 1 336.355 2.555 20 30 EFEDMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590674350 1093543915 /nfs/dbraw/zinc/54/39/15/1093543915.db2.gz YSCZRDLHKNPFGP-NSHDSACASA-N -1 1 336.355 2.555 20 30 EFEDMM CCOc1cccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001590841216 1093594255 /nfs/dbraw/zinc/59/42/55/1093594255.db2.gz HWJFAZQLMCZOMG-VOTSOKGWSA-N -1 1 327.369 2.618 20 30 EFEDMM CCOc1cccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001590841216 1093594260 /nfs/dbraw/zinc/59/42/60/1093594260.db2.gz HWJFAZQLMCZOMG-VOTSOKGWSA-N -1 1 327.369 2.618 20 30 EFEDMM CCc1cnc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)s1 ZINC001590900759 1093625529 /nfs/dbraw/zinc/62/55/29/1093625529.db2.gz YQYFFAKVHVJLQX-UHFFFAOYSA-N -1 1 346.420 2.518 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2csc(-c3nn[n-]n3)c2)c1C ZINC001590963266 1093641880 /nfs/dbraw/zinc/64/18/80/1093641880.db2.gz DPJQYIHQLYCKBX-WAYWQWQTSA-N -1 1 328.401 2.658 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001591626098 1093804328 /nfs/dbraw/zinc/80/43/28/1093804328.db2.gz ZQQXOPGGERMCQR-UXBLZVDNSA-N -1 1 339.380 2.544 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001591626098 1093804333 /nfs/dbraw/zinc/80/43/33/1093804333.db2.gz ZQQXOPGGERMCQR-UXBLZVDNSA-N -1 1 339.380 2.544 20 30 EFEDMM Cc1cc(C)c2c(c1)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)CO2 ZINC001591950867 1093930628 /nfs/dbraw/zinc/93/06/28/1093930628.db2.gz UWRYWSYWSSOSKZ-YHYXMXQVSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1cc(C)c2c(c1)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)CO2 ZINC001591950867 1093930631 /nfs/dbraw/zinc/93/06/31/1093930631.db2.gz UWRYWSYWSSOSKZ-YHYXMXQVSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1cc(C)n(N=Cc2cccc(C(C)C)c2)c(=O)c1-c1nn[n-]n1 ZINC001591957277 1093933340 /nfs/dbraw/zinc/93/33/40/1093933340.db2.gz SFXHHJZUHORRNK-UHFFFAOYSA-N -1 1 336.399 2.651 20 30 EFEDMM Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)cc(-c2nnn[n-]2)n1 ZINC001591999833 1093951909 /nfs/dbraw/zinc/95/19/09/1093951909.db2.gz LQOILPZQNACFPV-UHFFFAOYSA-N -1 1 343.394 2.736 20 30 EFEDMM Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)cc(-c2nn[n-]n2)n1 ZINC001591999833 1093951912 /nfs/dbraw/zinc/95/19/12/1093951912.db2.gz LQOILPZQNACFPV-UHFFFAOYSA-N -1 1 343.394 2.736 20 30 EFEDMM Cc1ccc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cc1C#N ZINC001592168020 1094012920 /nfs/dbraw/zinc/01/29/20/1094012920.db2.gz ZYVLTSOIIPFNFC-UHFFFAOYSA-N -1 1 331.792 2.769 20 30 EFEDMM Cc1nc(Sc2cccc(C#N)c2Cl)cc(-c2nnn[n-]2)n1 ZINC001592399873 1094101126 /nfs/dbraw/zinc/10/11/26/1094101126.db2.gz YDAOAQLDRYTQCV-UHFFFAOYSA-N -1 1 329.776 2.641 20 30 EFEDMM Cc1nc(Sc2cccc(C#N)c2Cl)cc(-c2nn[n-]n2)n1 ZINC001592399873 1094101129 /nfs/dbraw/zinc/10/11/29/1094101129.db2.gz YDAOAQLDRYTQCV-UHFFFAOYSA-N -1 1 329.776 2.641 20 30 EFEDMM N#CC1(CCOC(=O)c2sccc2-c2nn[n-]n2)CCCCC1 ZINC001592669363 1094173475 /nfs/dbraw/zinc/17/34/75/1094173475.db2.gz WLHMYVSINLPTQH-UHFFFAOYSA-N -1 1 331.401 2.949 20 30 EFEDMM N#CC1CCC(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001592672416 1094175303 /nfs/dbraw/zinc/17/53/03/1094175303.db2.gz HWRKRSREWZFXDR-UHFFFAOYSA-N -1 1 333.377 2.578 20 30 EFEDMM N#CC1CCC(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001592672416 1094175309 /nfs/dbraw/zinc/17/53/09/1094175309.db2.gz HWRKRSREWZFXDR-UHFFFAOYSA-N -1 1 333.377 2.578 20 30 EFEDMM N#CCCc1ccc(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001592678024 1094176269 /nfs/dbraw/zinc/17/62/69/1094176269.db2.gz LZGDNWYYRYLJPZ-UHFFFAOYSA-N -1 1 335.327 2.975 20 30 EFEDMM N#CCCc1ccc(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001592678024 1094176271 /nfs/dbraw/zinc/17/62/71/1094176271.db2.gz LZGDNWYYRYLJPZ-UHFFFAOYSA-N -1 1 335.327 2.975 20 30 EFEDMM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592687348 1094177359 /nfs/dbraw/zinc/17/73/59/1094177359.db2.gz XBWNUPQBNUTLGW-SNAWJCMRSA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592687348 1094177362 /nfs/dbraw/zinc/17/73/62/1094177362.db2.gz XBWNUPQBNUTLGW-SNAWJCMRSA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1ccc(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001592691945 1094178628 /nfs/dbraw/zinc/17/86/28/1094178628.db2.gz JTEYAQMDWFZFJC-UHFFFAOYSA-N -1 1 331.383 2.517 20 30 EFEDMM N#Cc1ccc(C2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001592691945 1094178629 /nfs/dbraw/zinc/17/86/29/1094178629.db2.gz JTEYAQMDWFZFJC-UHFFFAOYSA-N -1 1 331.383 2.517 20 30 EFEDMM N#Cc1ccc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cc1F ZINC001592694161 1094179636 /nfs/dbraw/zinc/17/96/36/1094179636.db2.gz NORVYNTUJHRENW-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592697606 1094180637 /nfs/dbraw/zinc/18/06/37/1094180637.db2.gz KVRIHASXJUSALE-HNNXBMFYSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592697606 1094180639 /nfs/dbraw/zinc/18/06/39/1094180639.db2.gz KVRIHASXJUSALE-HNNXBMFYSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ccc(OCCCSc2cccnc2-c2nnn[n-]2)cc1 ZINC001592695773 1094180714 /nfs/dbraw/zinc/18/07/14/1094180714.db2.gz KUFHPPHZVJJZPK-UHFFFAOYSA-N -1 1 338.396 2.695 20 30 EFEDMM N#Cc1ccc(OCCCSc2cccnc2-c2nn[n-]n2)cc1 ZINC001592695773 1094180717 /nfs/dbraw/zinc/18/07/17/1094180717.db2.gz KUFHPPHZVJJZPK-UHFFFAOYSA-N -1 1 338.396 2.695 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592697608 1094180793 /nfs/dbraw/zinc/18/07/93/1094180793.db2.gz KVRIHASXJUSALE-OAHLLOKOSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592697608 1094180795 /nfs/dbraw/zinc/18/07/95/1094180795.db2.gz KVRIHASXJUSALE-OAHLLOKOSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1cccc(-c2nn[nH]n2)c1NCc1cccc(Cl)c1[O-] ZINC001592699517 1094182221 /nfs/dbraw/zinc/18/22/21/1094182221.db2.gz CNCWARKJKCSLRT-UHFFFAOYSA-N -1 1 326.747 2.709 20 30 EFEDMM N#Cc1ncc(N[C@@H](c2ccccc2)C2CCCC2)nc1-c1nn[n-]n1 ZINC001592710635 1094182627 /nfs/dbraw/zinc/18/26/27/1094182627.db2.gz RXTRIWGMYNVQLW-INIZCTEOSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1ncc(SCCCCc2ccccc2)nc1-c1nn[n-]n1 ZINC001592708670 1094183191 /nfs/dbraw/zinc/18/31/91/1094183191.db2.gz HYMVXVIGSUZOBC-UHFFFAOYSA-N -1 1 337.412 2.643 20 30 EFEDMM N#Cc1nc(Oc2ccc(Cl)cc2Cl)cnc1-c1nn[n-]n1 ZINC001592707592 1094183209 /nfs/dbraw/zinc/18/32/09/1094183209.db2.gz OKNKCWHTPWCPNW-UHFFFAOYSA-N -1 1 334.126 2.627 20 30 EFEDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(O)ccc1[O-] ZINC000588594752 1094303096 /nfs/dbraw/zinc/30/30/96/1094303096.db2.gz QAGIBMQYVWJBLJ-DJWKRKHSSA-N -1 1 330.252 2.810 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c1 ZINC000782910268 1094398772 /nfs/dbraw/zinc/39/87/72/1094398772.db2.gz IRBXBLGCGBJXFK-UHFFFAOYSA-N -1 1 349.383 2.956 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1ccc(C#N)cc1Cl ZINC001594339551 1094423500 /nfs/dbraw/zinc/42/35/00/1094423500.db2.gz KAEGBFVGMQULIX-BWAGICSOSA-N -1 1 334.803 2.807 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1ccc(C#N)cc1Cl ZINC001594339553 1094423819 /nfs/dbraw/zinc/42/38/19/1094423819.db2.gz KAEGBFVGMQULIX-HGGPSHQYSA-N -1 1 334.803 2.807 20 30 EFEDMM C=C(Cl)CN1CCC[C@@H]2[C@H](NC(=O)c3ncccc3[O-])C(C)(C)[C@H]21 ZINC001087282760 1094876388 /nfs/dbraw/zinc/87/63/88/1094876388.db2.gz DKMYQTBVRTUUSH-KCXAZCMYSA-N -1 1 349.862 2.759 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccccc3C(=O)[O-])[nH]c21 ZINC001600555302 1095160013 /nfs/dbraw/zinc/16/00/13/1095160013.db2.gz PPMSPHSVTBMNHT-AWEZNQCLSA-N -1 1 333.347 2.989 20 30 EFEDMM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001649248019 1095339085 /nfs/dbraw/zinc/33/90/85/1095339085.db2.gz KKZPMKJMJRLOKO-SECBINFHSA-N -1 1 341.749 2.642 20 30 EFEDMM Cc1sc([C@H]2CCCN2CCCSCC#N)nc1C(=O)[O-] ZINC001600885178 1095406849 /nfs/dbraw/zinc/40/68/49/1095406849.db2.gz XIKYJPNUHGCFQU-LLVKDONJSA-N -1 1 325.459 2.934 20 30 EFEDMM Cn1c(CN2CCC(Oc3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC001600913955 1095424106 /nfs/dbraw/zinc/42/41/06/1095424106.db2.gz VOQCWNQNMXTODP-UHFFFAOYSA-N -1 1 339.395 2.638 20 30 EFEDMM N#CC[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC001601061208 1095486759 /nfs/dbraw/zinc/48/67/59/1095486759.db2.gz RNWRALLOTOSSLT-LBPRGKRZSA-N -1 1 334.335 2.897 20 30 EFEDMM N#CCCN(C(=O)CN1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001601066966 1095488415 /nfs/dbraw/zinc/48/84/15/1095488415.db2.gz NFQFBKWHYOKIGL-INIZCTEOSA-N -1 1 343.427 2.510 20 30 EFEDMM N#Cc1c(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cccc1C(=O)[O-] ZINC001601080863 1095495186 /nfs/dbraw/zinc/49/51/86/1095495186.db2.gz DVWPOZVPKKTJGV-IRXDYDNUSA-N -1 1 347.418 2.825 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cc1O ZINC001601092925 1095504044 /nfs/dbraw/zinc/50/40/44/1095504044.db2.gz TXQFXMPWMZUHKC-UHFFFAOYSA-N -1 1 336.347 2.945 20 30 EFEDMM N#Cc1ccc([C@@H](OC(=O)c2ccc(O)c(Cl)c2)C(=O)[O-])cc1 ZINC001601099597 1095511845 /nfs/dbraw/zinc/51/18/45/1095511845.db2.gz RKXVBZYQDYWGOO-CQSZACIVSA-N -1 1 331.711 2.900 20 30 EFEDMM N#Cc1ccc([C@H](Sc2nc(-c3ccccn3)n[nH]2)C(=O)[O-])cc1 ZINC001601099297 1095512237 /nfs/dbraw/zinc/51/22/37/1095512237.db2.gz LPAUSGFOYDPYHP-ZDUSSCGKSA-N -1 1 337.364 2.656 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC001601106472 1095514593 /nfs/dbraw/zinc/51/45/93/1095514593.db2.gz VWJVSURAIGTUHN-UHFFFAOYSA-N -1 1 327.409 2.640 20 30 EFEDMM N#Cc1ccc(O)c(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC001601108956 1095516490 /nfs/dbraw/zinc/51/64/90/1095516490.db2.gz XLALSTAGPVQIMI-UHFFFAOYSA-N -1 1 335.319 2.555 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC001601109312 1095516696 /nfs/dbraw/zinc/51/66/96/1095516696.db2.gz NTTNDLGNXJRVCL-UHFFFAOYSA-N -1 1 337.379 2.695 20 30 EFEDMM N#Cc1cccc(C2(NCC(=O)Nc3ccsc3C(=O)[O-])CC2)c1 ZINC001601119907 1095525841 /nfs/dbraw/zinc/52/58/41/1095525841.db2.gz AJLQSFGNAGXNAJ-UHFFFAOYSA-N -1 1 341.392 2.535 20 30 EFEDMM N#Cc1cnc(Cl)c(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC001601129989 1095533335 /nfs/dbraw/zinc/53/33/35/1095533335.db2.gz DKUDPPMIZMHBQK-GOSISDBHSA-N -1 1 341.798 2.835 20 30 EFEDMM N#Cc1nc(C(=O)[O-])ccc1NCc1ccc(Nc2ccncc2)cc1 ZINC001601134242 1095536533 /nfs/dbraw/zinc/53/65/33/1095536533.db2.gz DJIWESWRQLCCFU-UHFFFAOYSA-N -1 1 345.362 2.824 20 30 EFEDMM O=C([O-])c1ccc(Br)c(N=NC2CCCn3nccc32)c1 ZINC001602313669 1096174321 /nfs/dbraw/zinc/17/43/21/1096174321.db2.gz AGEKRXRBKOZNGK-UHFFFAOYSA-N -1 1 349.188 2.954 20 30 EFEDMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC001602630706 1096333219 /nfs/dbraw/zinc/33/32/19/1096333219.db2.gz ASTKWUKFZJAHSA-OAHLLOKOSA-N -1 1 335.787 2.803 20 30 EFEDMM C#CC[C@H](NCc1c(Br)ccc(Cl)c1F)C(=O)[O-] ZINC001602695220 1096352224 /nfs/dbraw/zinc/35/22/24/1096352224.db2.gz ZJHDADVBAYBONF-JTQLQIEISA-N -1 1 334.572 2.808 20 30 EFEDMM C#CCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC001602716774 1096356124 /nfs/dbraw/zinc/35/61/24/1096356124.db2.gz PJKMKCAJTWCCDT-INIZCTEOSA-N -1 1 347.378 2.613 20 30 EFEDMM C#CCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC001602716774 1096356128 /nfs/dbraw/zinc/35/61/28/1096356128.db2.gz PJKMKCAJTWCCDT-INIZCTEOSA-N -1 1 347.378 2.613 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001602775479 1096369016 /nfs/dbraw/zinc/36/90/16/1096369016.db2.gz CTPDRDQUBKMPTA-ULQDDVLXSA-N -1 1 344.455 2.917 20 30 EFEDMM C=CC[C@H](CCc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001602816280 1096376406 /nfs/dbraw/zinc/37/64/06/1096376406.db2.gz LIYLKYSMXIKSPH-MRXNPFEDSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CC[C@H](CCc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001602816280 1096376410 /nfs/dbraw/zinc/37/64/10/1096376410.db2.gz LIYLKYSMXIKSPH-MRXNPFEDSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CCC[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001602833458 1096378786 /nfs/dbraw/zinc/37/87/86/1096378786.db2.gz MWEASWTUBVAYOU-CYBMUJFWSA-N -1 1 332.371 2.648 20 30 EFEDMM C=CCC1(O)CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC001602851247 1096384969 /nfs/dbraw/zinc/38/49/69/1096384969.db2.gz GLPNQPXBLHCQSF-UHFFFAOYSA-N -1 1 339.819 2.820 20 30 EFEDMM C=CCN(CCc1ccco1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001602852321 1096385832 /nfs/dbraw/zinc/38/58/32/1096385832.db2.gz OHBNSHWLVYRPCJ-UHFFFAOYSA-N -1 1 346.372 2.665 20 30 EFEDMM C=CCN(CCc1ccco1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001602852321 1096385837 /nfs/dbraw/zinc/38/58/37/1096385837.db2.gz OHBNSHWLVYRPCJ-UHFFFAOYSA-N -1 1 346.372 2.665 20 30 EFEDMM C=CCC[C@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001602860671 1096387201 /nfs/dbraw/zinc/38/72/01/1096387201.db2.gz LKLYCUINRUMDQS-ZDUSSCGKSA-N -1 1 327.384 2.964 20 30 EFEDMM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccc(-c2nn[n-]n2)s1 ZINC001602907938 1096397638 /nfs/dbraw/zinc/39/76/38/1096397638.db2.gz DFUHLYWJEMMMJZ-UHFFFAOYSA-N -1 1 342.432 2.852 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Cl)cn2)o1 ZINC001602912957 1096399765 /nfs/dbraw/zinc/39/97/65/1096399765.db2.gz ZSTAYWIYQJJHOS-UHFFFAOYSA-N -1 1 346.782 2.863 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)C2CC(F)(F)C2)o1 ZINC001602912950 1096400190 /nfs/dbraw/zinc/40/01/90/1096400190.db2.gz ZKBVOQHZSUFHBI-UHFFFAOYSA-N -1 1 325.323 2.811 20 30 EFEDMM CC(C)(C#N)c1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cc1 ZINC001603034850 1096421648 /nfs/dbraw/zinc/42/16/48/1096421648.db2.gz VSLGPMZOFQHPSC-UHFFFAOYSA-N -1 1 348.414 2.880 20 30 EFEDMM CC(C)(C#N)c1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc1 ZINC001603034850 1096421658 /nfs/dbraw/zinc/42/16/58/1096421658.db2.gz VSLGPMZOFQHPSC-UHFFFAOYSA-N -1 1 348.414 2.880 20 30 EFEDMM CC(C)(C)[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)c2ccccc21 ZINC001603067981 1096431294 /nfs/dbraw/zinc/43/12/94/1096431294.db2.gz VZPOEFUEOQOREU-LBPRGKRZSA-N -1 1 346.398 2.810 20 30 EFEDMM CC(C)OC1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1 ZINC001603347167 1096510742 /nfs/dbraw/zinc/51/07/42/1096510742.db2.gz KFBQRBVBYISPHW-UHFFFAOYSA-N -1 1 333.396 2.508 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@H]2CCCO)o1 ZINC001603406725 1096521678 /nfs/dbraw/zinc/52/16/78/1096521678.db2.gz ZAHWXGQAKGIIDE-NSHDSACASA-N -1 1 347.423 2.709 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CS[C@@H](C(C)C)C2)o1 ZINC001603407040 1096521924 /nfs/dbraw/zinc/52/19/24/1096521924.db2.gz KORVZXVOWIEVSI-SNVBAGLBSA-N -1 1 335.437 2.908 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@@H]2CCCO)o1 ZINC001603406723 1096521968 /nfs/dbraw/zinc/52/19/68/1096521968.db2.gz ZAHWXGQAKGIIDE-LLVKDONJSA-N -1 1 347.423 2.709 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3occc32)o1 ZINC001603406527 1096522107 /nfs/dbraw/zinc/52/21/07/1096522107.db2.gz QEIFRIUPRFCCPU-UHFFFAOYSA-N -1 1 327.348 2.724 20 30 EFEDMM CC(C)N(Cc1cn(Cc2cccc(C(=O)[O-])c2C#N)nn1)C(C)C ZINC001603886951 1096658733 /nfs/dbraw/zinc/65/87/33/1096658733.db2.gz DWUPDXSRYYJPRP-UHFFFAOYSA-N -1 1 341.415 2.515 20 30 EFEDMM CC[C@@H](C#N)Sc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001603977831 1096685817 /nfs/dbraw/zinc/68/58/17/1096685817.db2.gz JWMCLIHBGJTNAC-ZETCQYMHSA-N -1 1 328.323 2.983 20 30 EFEDMM CCC(C)(C)C1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001603983941 1096686864 /nfs/dbraw/zinc/68/68/64/1096686864.db2.gz YYJUJCNXTKKQOR-UHFFFAOYSA-N -1 1 340.435 2.935 20 30 EFEDMM CCC(C)(C)C1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001603983941 1096686869 /nfs/dbraw/zinc/68/68/69/1096686869.db2.gz YYJUJCNXTKKQOR-UHFFFAOYSA-N -1 1 340.435 2.935 20 30 EFEDMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCC1(C#N)CCCC1 ZINC001604072264 1096720469 /nfs/dbraw/zinc/72/04/69/1096720469.db2.gz PFWDVVRGZUAPNJ-ZDUSSCGKSA-N -1 1 329.400 2.775 20 30 EFEDMM CCCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccccn1 ZINC001604120723 1096743729 /nfs/dbraw/zinc/74/37/29/1096743729.db2.gz XPOUZFDIGINXNG-UHFFFAOYSA-N -1 1 340.391 2.989 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604175446 1096761540 /nfs/dbraw/zinc/76/15/40/1096761540.db2.gz HMEMICUNNOQITJ-ZDUSSCGKSA-N -1 1 330.436 2.988 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604175446 1096761544 /nfs/dbraw/zinc/76/15/44/1096761544.db2.gz HMEMICUNNOQITJ-ZDUSSCGKSA-N -1 1 330.436 2.988 20 30 EFEDMM CCCCCCCCCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604176155 1096762145 /nfs/dbraw/zinc/76/21/45/1096762145.db2.gz QNOUDGOSBFWTHS-UHFFFAOYSA-N -1 1 346.435 2.756 20 30 EFEDMM CO[C@]1(C)CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC001605017259 1097001604 /nfs/dbraw/zinc/00/16/04/1097001604.db2.gz QSMNKTIKQIBAPB-OAHLLOKOSA-N -1 1 333.396 2.581 20 30 EFEDMM CCN(CC)c1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1F ZINC001605434971 1097124558 /nfs/dbraw/zinc/12/45/58/1097124558.db2.gz NPRXTXPDXOCHFR-UHFFFAOYSA-N -1 1 333.407 2.862 20 30 EFEDMM Cc1cc(C#N)cc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001605589376 1097164877 /nfs/dbraw/zinc/16/48/77/1097164877.db2.gz YTOUNIALPBIHAH-UHFFFAOYSA-N -1 1 343.350 2.780 20 30 EFEDMM CCO[C@@H]1C[C@](NCC#Cc2ccc(Cl)cc2)(C(=O)[O-])C1(C)C ZINC001605605756 1097169308 /nfs/dbraw/zinc/16/93/08/1097169308.db2.gz HIKXSTKAROCZLD-QAPCUYQASA-N -1 1 335.831 2.940 20 30 EFEDMM Cc1cc(C)n(N=CCC2CCCCCC2)c(=O)c1-c1nn[n-]n1 ZINC001605650085 1097179618 /nfs/dbraw/zinc/17/96/18/1097179618.db2.gz SZLZXBUCSSQPGU-UHFFFAOYSA-N -1 1 328.420 2.840 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(C)[nH]1 ZINC001605652035 1097181144 /nfs/dbraw/zinc/18/11/44/1097181144.db2.gz CCSFTXXERMJRGQ-UHFFFAOYSA-N -1 1 328.380 2.543 20 30 EFEDMM Cc1cc(NCC2(C#N)CCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605728316 1097209876 /nfs/dbraw/zinc/20/98/76/1097209876.db2.gz FYZGXIIMUDFHEF-UHFFFAOYSA-N -1 1 327.348 2.579 20 30 EFEDMM Cc1cc(NCC2(C#N)CCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605728316 1097209882 /nfs/dbraw/zinc/20/98/82/1097209882.db2.gz FYZGXIIMUDFHEF-UHFFFAOYSA-N -1 1 327.348 2.579 20 30 EFEDMM Cc1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1C#N ZINC001605856740 1097254581 /nfs/dbraw/zinc/25/45/81/1097254581.db2.gz VIKSIJXEGIMBKA-UHFFFAOYSA-N -1 1 341.356 2.629 20 30 EFEDMM Cc1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1C#N ZINC001605856740 1097254584 /nfs/dbraw/zinc/25/45/84/1097254584.db2.gz VIKSIJXEGIMBKA-UHFFFAOYSA-N -1 1 341.356 2.629 20 30 EFEDMM CCc1oc(CN(C)C[C@H](O)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC001605889477 1097267313 /nfs/dbraw/zinc/26/73/13/1097267313.db2.gz OCEJXCJJQUZOGA-INIZCTEOSA-N -1 1 328.368 2.577 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC1CCC(C(F)(F)F)CC1 ZINC001606018611 1097299313 /nfs/dbraw/zinc/29/93/13/1097299313.db2.gz ZNXMRORUPFDNOM-UHFFFAOYSA-N -1 1 339.325 2.612 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC=CCc2ccc(F)cc2F)o1 ZINC001606020396 1097300081 /nfs/dbraw/zinc/30/00/81/1097300081.db2.gz WRPVIHIITPXCLE-BASDRIDLSA-N -1 1 331.286 2.552 20 30 EFEDMM CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606089018 1097317827 /nfs/dbraw/zinc/31/78/27/1097317827.db2.gz XAAXHJCBEDXXQL-OKILXGFUSA-N -1 1 339.395 2.533 20 30 EFEDMM CN(Cc1cc(C(C)(C)C)[nH]n1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606147255 1097327558 /nfs/dbraw/zinc/32/75/58/1097327558.db2.gz FCMBOPNYXHRBKE-MRXNPFEDSA-N -1 1 326.400 2.837 20 30 EFEDMM C/C(=N\O)c1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937640 1097369268 /nfs/dbraw/zinc/36/92/68/1097369268.db2.gz GHNYRYKBQRDQMP-XDHOZWIPSA-N -1 1 346.323 2.970 20 30 EFEDMM COC(=O)[C@@H](C)n1cccc1C=NNc1cccc(F)c1C(=O)[O-] ZINC001606323435 1097382409 /nfs/dbraw/zinc/38/24/09/1097382409.db2.gz MVORQOBUKXIKLK-SNVBAGLBSA-N -1 1 333.319 2.505 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC001606363853 1097393883 /nfs/dbraw/zinc/39/38/83/1097393883.db2.gz RHLPKBJSZVDOMK-ONEGZZNKSA-N -1 1 342.771 2.744 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC001606363853 1097393888 /nfs/dbraw/zinc/39/38/88/1097393888.db2.gz RHLPKBJSZVDOMK-ONEGZZNKSA-N -1 1 342.771 2.744 20 30 EFEDMM N#Cc1ncc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001606398044 1097398384 /nfs/dbraw/zinc/39/83/84/1097398384.db2.gz ISHHWQOVIMHOCW-ZIAGYGMSSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1nc(Nc2ccc3c(c2)C=CCCC3)cnc1-c1nnn[n-]1 ZINC001606396930 1097398672 /nfs/dbraw/zinc/39/86/72/1097398672.db2.gz CFPRSLOGZNSVJN-UHFFFAOYSA-N -1 1 330.355 2.621 20 30 EFEDMM N#Cc1nc(Nc2ccc3c(c2)C=CCCC3)cnc1-c1nn[n-]n1 ZINC001606396930 1097398679 /nfs/dbraw/zinc/39/86/79/1097398679.db2.gz CFPRSLOGZNSVJN-UHFFFAOYSA-N -1 1 330.355 2.621 20 30 EFEDMM O=C(C=Cc1c(F)ccc(O)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC001606482191 1097406126 /nfs/dbraw/zinc/40/61/26/1097406126.db2.gz KENQZPPVXNAMSQ-HNQUOIGGSA-N -1 1 334.307 2.808 20 30 EFEDMM COC(=O)c1c(F)cccc1NN=Cc1cccn1[C@H](C)C(=O)[O-] ZINC001606526028 1097413686 /nfs/dbraw/zinc/41/36/86/1097413686.db2.gz GHANYIJFNAKMDL-SNVBAGLBSA-N -1 1 333.319 2.505 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)Oc2cccc(Cl)c21 ZINC001607037792 1097501882 /nfs/dbraw/zinc/50/18/82/1097501882.db2.gz PUHOINAWEDDLFR-RUDMXATFSA-N -1 1 331.744 2.593 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)Oc2cccc(Cl)c21 ZINC001607037792 1097501885 /nfs/dbraw/zinc/50/18/85/1097501885.db2.gz PUHOINAWEDDLFR-RUDMXATFSA-N -1 1 331.744 2.593 20 30 EFEDMM Cc1sc(C(=O)[O-])cc1CN1CCc2c(C#N)c(N)sc2C1 ZINC001608060528 1097819929 /nfs/dbraw/zinc/81/99/29/1097819929.db2.gz AMCMMGPJLIWRIS-UHFFFAOYSA-N -1 1 333.438 2.828 20 30 EFEDMM N#CC(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC001608173115 1097850501 /nfs/dbraw/zinc/85/05/01/1097850501.db2.gz BPDPQOHQPXZJAA-AEJSXWLSSA-N -1 1 333.294 2.718 20 30 EFEDMM N#CC(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC001608173120 1097851012 /nfs/dbraw/zinc/85/10/12/1097851012.db2.gz BPDPQOHQPXZJAA-KXUCPTDWSA-N -1 1 333.294 2.718 20 30 EFEDMM N#CCCN1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC001608184272 1097854411 /nfs/dbraw/zinc/85/44/11/1097854411.db2.gz MRXAURNSRNNYLY-UHFFFAOYSA-N -1 1 329.425 2.631 20 30 EFEDMM N#Cc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1Cl ZINC001608198725 1097859554 /nfs/dbraw/zinc/85/95/54/1097859554.db2.gz YHRBKWOORFIMCE-UHFFFAOYSA-N -1 1 342.785 2.772 20 30 EFEDMM N#Cc1cccc([C@H](N[C@H](Cn2cccn2)c2ccccc2)C(=O)[O-])c1 ZINC001608215815 1097865913 /nfs/dbraw/zinc/86/59/13/1097865913.db2.gz QMUCALWRAIJEFB-MOPGFXCFSA-N -1 1 346.390 2.912 20 30 EFEDMM N#Cc1ccsc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001608222981 1097869142 /nfs/dbraw/zinc/86/91/42/1097869142.db2.gz MBTRIKXWAOGSIH-MELADBBJSA-N -1 1 347.440 2.524 20 30 EFEDMM C=C(C)[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001609050973 1098121375 /nfs/dbraw/zinc/12/13/75/1098121375.db2.gz JWHKERUJWFBMBA-CQSZACIVSA-N -1 1 343.341 2.973 20 30 EFEDMM C=C(C)[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001609050973 1098121377 /nfs/dbraw/zinc/12/13/77/1098121377.db2.gz JWHKERUJWFBMBA-CQSZACIVSA-N -1 1 343.341 2.973 20 30 EFEDMM C=C(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC001609050962 1098121683 /nfs/dbraw/zinc/12/16/83/1098121683.db2.gz JOGDFXLKSBULAC-AWEZNQCLSA-N -1 1 345.309 2.785 20 30 EFEDMM C=C(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)c(F)c1 ZINC001609050962 1098121687 /nfs/dbraw/zinc/12/16/87/1098121687.db2.gz JOGDFXLKSBULAC-AWEZNQCLSA-N -1 1 345.309 2.785 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2nc3ccccc3s2)o1 ZINC001609061369 1098127785 /nfs/dbraw/zinc/12/77/85/1098127785.db2.gz ACJGZSIUFAWOBN-UHFFFAOYSA-N -1 1 340.372 2.609 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3ccccc3c2O)o1 ZINC001609061539 1098127865 /nfs/dbraw/zinc/12/78/65/1098127865.db2.gz JZFXGGDUOSGDPI-UHFFFAOYSA-N -1 1 349.354 2.858 20 30 EFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)o2)c(-c2nnn[n-]2)s1 ZINC001609080716 1098134171 /nfs/dbraw/zinc/13/41/71/1098134171.db2.gz UXLPGJNVODVIBH-UHFFFAOYSA-N -1 1 342.384 2.943 20 30 EFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)o2)c(-c2nn[n-]n2)s1 ZINC001609080716 1098134174 /nfs/dbraw/zinc/13/41/74/1098134174.db2.gz UXLPGJNVODVIBH-UHFFFAOYSA-N -1 1 342.384 2.943 20 30 EFEDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001609126939 1098157642 /nfs/dbraw/zinc/15/76/42/1098157642.db2.gz PDKHQQLXXUTSDR-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001609126939 1098157649 /nfs/dbraw/zinc/15/76/49/1098157649.db2.gz PDKHQQLXXUTSDR-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM CCCCCCCS(=O)(=O)[N-]c1ccc(F)cc1-c1nn[nH]n1 ZINC001609209185 1098202941 /nfs/dbraw/zinc/20/29/41/1098202941.db2.gz PMQJZLOBUZQBDE-UHFFFAOYSA-N -1 1 341.412 2.718 20 30 EFEDMM COc1ccc([O-])c(C(=O)C=Cc2cccc(F)c2-c2nn[nH]n2)c1 ZINC001609358198 1098265234 /nfs/dbraw/zinc/26/52/34/1098265234.db2.gz GTQSGLJRRIPCBF-ALCCZGGFSA-N -1 1 340.314 2.616 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1c(Cl)cccc1Cl ZINC001609445490 1098329085 /nfs/dbraw/zinc/32/90/85/1098329085.db2.gz ILKBCWPSSZEVCL-UHFFFAOYSA-N -1 1 334.170 2.598 20 30 EFEDMM C=CCOC[C@@H](NCc1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC001609452823 1098331309 /nfs/dbraw/zinc/33/13/09/1098331309.db2.gz ZQEHSOMEJNZVGM-GFCCVEGCSA-N -1 1 334.199 2.747 20 30 EFEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1OC ZINC001609460176 1098336138 /nfs/dbraw/zinc/33/61/38/1098336138.db2.gz IKRAACPZXSPFII-GOSISDBHSA-N -1 1 343.379 2.881 20 30 EFEDMM C=CCOc1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001609461790 1098336943 /nfs/dbraw/zinc/33/69/43/1098336943.db2.gz OZHFCHGKXHISCN-UHFFFAOYSA-N -1 1 339.394 2.812 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cc(Cl)ccc2[O-])C1=O ZINC001269686175 1098359472 /nfs/dbraw/zinc/35/94/72/1098359472.db2.gz HXAQRPIDURYOAD-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CSc2c(F)cccc21 ZINC001609585703 1098392233 /nfs/dbraw/zinc/39/22/33/1098392233.db2.gz BXGVTNQXTNATFC-DAXSKMNVSA-N -1 1 345.384 2.834 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)CSc2c(F)cccc21 ZINC001609585703 1098392236 /nfs/dbraw/zinc/39/22/36/1098392236.db2.gz BXGVTNQXTNATFC-DAXSKMNVSA-N -1 1 345.384 2.834 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cc1Cl ZINC001269982644 1098559638 /nfs/dbraw/zinc/55/96/38/1098559638.db2.gz GWYLSFQHMOBWSL-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM Cc1cc([C@@H](C)N2CC[C@H](Oc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001610443854 1098680398 /nfs/dbraw/zinc/68/03/98/1098680398.db2.gz BGKWLYWAHVMPDD-OCCSQVGLSA-N -1 1 341.367 2.767 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-n2ccnc2)cc1 ZINC001611053604 1098974727 /nfs/dbraw/zinc/97/47/27/1098974727.db2.gz ZNXFFQWOJXPHRP-ZDUSSCGKSA-N -1 1 332.363 2.941 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)cs2)o1 ZINC001621644603 1099437370 /nfs/dbraw/zinc/43/73/70/1099437370.db2.gz SRXVPSSLPXKDBL-UHFFFAOYSA-N -1 1 345.405 2.753 20 30 EFEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC001624325575 1099682900 /nfs/dbraw/zinc/68/29/00/1099682900.db2.gz DHKMJZAOQWYUMI-UHFFFAOYSA-N -1 1 347.378 2.972 20 30 EFEDMM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000796860112 1100737545 /nfs/dbraw/zinc/73/75/45/1100737545.db2.gz IPDMKJBLNZDDIR-GFCCVEGCSA-N -1 1 327.336 2.731 20 30 EFEDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001637952097 1100820939 /nfs/dbraw/zinc/82/09/39/1100820939.db2.gz HDJKJSWMXWZKRC-UHFFFAOYSA-N -1 1 338.323 2.720 20 30 EFEDMM N#Cc1ccc(OCc2cccc(C(=O)Nc3c[n-][nH]c3=O)c2)cc1 ZINC001638735603 1100883033 /nfs/dbraw/zinc/88/30/33/1100883033.db2.gz OYCVFRBBLLOWTB-UHFFFAOYSA-N -1 1 334.335 2.818 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1[O-] ZINC000785409060 1101249779 /nfs/dbraw/zinc/24/97/79/1101249779.db2.gz BKAPCWWCZCTAJV-AWEZNQCLSA-N -1 1 334.734 2.520 20 30 EFEDMM N#CCCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccccc2)n1 ZINC000211725560 1101978275 /nfs/dbraw/zinc/97/82/75/1101978275.db2.gz IEWCGTIKIDBYFO-UKTHLTGXSA-N -1 1 340.433 2.953 20 30 EFEDMM C=CCN1CC[C@]2(CCCN(C(=O)c3cc([O-])cc(F)c3)CC2)C1=O ZINC001271563612 1102120407 /nfs/dbraw/zinc/12/04/07/1102120407.db2.gz ZSELUKPDRFNDGH-LJQANCHMSA-N -1 1 346.402 2.562 20 30 EFEDMM CCOCc1nc(C)cc(NN=C2CCc3cccc(C(=O)[O-])c32)n1 ZINC000905501067 1103244304 /nfs/dbraw/zinc/24/43/04/1103244304.db2.gz XRMAZNGOSNQPHD-UHFFFAOYSA-N -1 1 340.383 2.782 20 30 EFEDMM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000905539336 1103288438 /nfs/dbraw/zinc/28/84/38/1103288438.db2.gz DRGDMTSOHFBBOS-GFCCVEGCSA-N -1 1 333.791 2.897 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1[O-] ZINC000785415699 1104565211 /nfs/dbraw/zinc/56/52/11/1104565211.db2.gz NGZJZNIMOHHNRT-UHFFFAOYSA-N -1 1 331.715 2.755 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(Cl)cc1[O-] ZINC001272260835 1107433553 /nfs/dbraw/zinc/43/35/53/1107433553.db2.gz AXXURBYIMSIBDE-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM C=CCN1CCC2(CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)C1=O ZINC001272262175 1107845095 /nfs/dbraw/zinc/84/50/95/1107845095.db2.gz SYKAOVKSFAHTDA-UHFFFAOYSA-N -1 1 348.830 2.686 20 30 EFEDMM C=C(C)CN1CCC2(CCN(C(=O)c3ccc([O-])cc3F)CC2)C1=O ZINC001272224479 1108022750 /nfs/dbraw/zinc/02/27/50/1108022750.db2.gz MEMREULHWKMYLQ-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C[C@H](C[C@@H](C)Nc1cccc(F)c1C#N)NC(=O)c1ncccc1[O-] ZINC001089273236 1108369998 /nfs/dbraw/zinc/36/99/98/1108369998.db2.gz VWFPYWWMVLHIHZ-VXGBXAGGSA-N -1 1 342.374 2.807 20 30 EFEDMM C=C1CCC(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CC1 ZINC000898439936 1108936930 /nfs/dbraw/zinc/93/69/30/1108936930.db2.gz XAOHCHZFYISCLK-DGCLKSJQSA-N -1 1 332.366 2.791 20 30 EFEDMM COc1cc(C(=O)/C=C/c2cn(C)nc2C2CC2)cc(OC)c1[O-] ZINC000899385264 1109305692 /nfs/dbraw/zinc/30/56/92/1109305692.db2.gz RYKBUGHKVMKJLN-VOTSOKGWSA-N -1 1 328.368 2.916 20 30 EFEDMM CCCOc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914599573 1111283059 /nfs/dbraw/zinc/28/30/59/1111283059.db2.gz GEQGKABFGGCUBN-UHFFFAOYSA-N -1 1 343.408 2.548 20 30 EFEDMM CC(CCc1ccccc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599775 1111283587 /nfs/dbraw/zinc/28/35/87/1111283587.db2.gz LTYSIDBVRGTDHE-UHFFFAOYSA-N -1 1 327.409 2.734 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001272616643 1111749332 /nfs/dbraw/zinc/74/93/32/1111749332.db2.gz MUJYGTJIAOSDHH-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM C[C@@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000781122481 1111809532 /nfs/dbraw/zinc/80/95/32/1111809532.db2.gz OWQAUKNEMBSWNK-VXGBXAGGSA-N -1 1 339.417 2.826 20 30 EFEDMM N#CC1(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3N)cc2)CC1 ZINC001212260551 1112383043 /nfs/dbraw/zinc/38/30/43/1112383043.db2.gz XFZABMVDIWHHDF-UHFFFAOYSA-N -1 1 331.372 2.764 20 30 EFEDMM C=C[C@@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943209550 1119364431 /nfs/dbraw/zinc/36/44/31/1119364431.db2.gz MTHVPCAWWCGDAR-LIRRHRJNSA-N -1 1 345.443 2.500 20 30 EFEDMM C#C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000185333856 1120032251 /nfs/dbraw/zinc/03/22/51/1120032251.db2.gz URHISNVBMQPWMJ-CQSZACIVSA-N -1 1 342.420 2.547 20 30 EFEDMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435418678 535171706 /nfs/dbraw/zinc/17/17/06/535171706.db2.gz RCXJKAYUZADHHM-SECBINFHSA-N -1 1 326.365 2.875 20 30 EFEDMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000193326904 240095814 /nfs/dbraw/zinc/09/58/14/240095814.db2.gz PGZDORPBSWLQRR-NWDGAFQWSA-N -1 1 328.459 2.857 20 30 EFEDMM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000290960616 241023905 /nfs/dbraw/zinc/02/39/05/241023905.db2.gz OIGCBYLGQIQIRH-LBPRGKRZSA-N -1 1 347.209 2.559 20 30 EFEDMM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3ccncn3)cc2F)n1 ZINC000354468770 241999724 /nfs/dbraw/zinc/99/97/24/241999724.db2.gz POJNFRPEWSJHFJ-CQSZACIVSA-N -1 1 335.342 2.908 20 30 EFEDMM N#CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000356243340 242064419 /nfs/dbraw/zinc/06/44/19/242064419.db2.gz GKIJOYBBXUYCFG-UHFFFAOYSA-N -1 1 344.017 2.558 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)n(C)c2C)n1 ZINC000354661843 242009619 /nfs/dbraw/zinc/00/96/19/242009619.db2.gz UKGGSGWMIIVGLQ-LBPRGKRZSA-N -1 1 331.397 2.765 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1F ZINC000357461446 242097746 /nfs/dbraw/zinc/09/77/46/242097746.db2.gz CIOZAABUXDXKBO-UHFFFAOYSA-N -1 1 326.299 2.917 20 30 EFEDMM N#CC1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCCC1 ZINC000363855591 242284585 /nfs/dbraw/zinc/28/45/85/242284585.db2.gz OTKFKFWLUJBLOA-UHFFFAOYSA-N -1 1 326.396 2.897 20 30 EFEDMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000421929657 246171990 /nfs/dbraw/zinc/17/19/90/246171990.db2.gz XRHQDQACSCMKRL-SWLSCSKDSA-N -1 1 344.411 2.846 20 30 EFEDMM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](OC)C2 ZINC000425603801 247143941 /nfs/dbraw/zinc/14/39/41/247143941.db2.gz JKEBUAUGOBGHNL-VIFPVBQESA-N -1 1 347.396 2.510 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1F ZINC000427277723 247333058 /nfs/dbraw/zinc/33/30/58/247333058.db2.gz SPRQCIWDZNTPTC-UHFFFAOYSA-N -1 1 342.355 2.888 20 30 EFEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C#N ZINC000427295964 247334308 /nfs/dbraw/zinc/33/43/08/247334308.db2.gz RCNVJNNPEDOJNP-UHFFFAOYSA-N -1 1 343.742 2.994 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427119729 247320024 /nfs/dbraw/zinc/32/00/24/247320024.db2.gz MDHHYWHCBJJESG-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM N#Cc1cnccc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000433745032 248084396 /nfs/dbraw/zinc/08/43/96/248084396.db2.gz BQLOMTWIMKRDTQ-UHFFFAOYSA-N -1 1 332.319 2.795 20 30 EFEDMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442628098 250090761 /nfs/dbraw/zinc/09/07/61/250090761.db2.gz NMMZPQNOXMUQRM-UHFFFAOYSA-N -1 1 340.379 2.943 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)cc1[O-] ZINC000442651843 250096008 /nfs/dbraw/zinc/09/60/08/250096008.db2.gz NEIADLFRONZSNE-UHFFFAOYSA-N -1 1 328.318 2.857 20 30 EFEDMM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(C#N)c([O-])c1)C(=O)N2 ZINC000442649405 250096090 /nfs/dbraw/zinc/09/60/90/250096090.db2.gz LRDYFVKJSJGIDT-OAHLLOKOSA-N -1 1 349.390 2.682 20 30 EFEDMM Cn1cc(-c2ccccc2CNC(=O)c2ccc(C#N)c([O-])c2)cn1 ZINC000442670072 250098696 /nfs/dbraw/zinc/09/86/96/250098696.db2.gz IIRMZQZDCAINLL-UHFFFAOYSA-N -1 1 332.363 2.594 20 30 EFEDMM CCCOc1ccc(C(=O)CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443068632 250156740 /nfs/dbraw/zinc/15/67/40/250156740.db2.gz WFSAKUBLYUKHSH-UHFFFAOYSA-N -1 1 338.363 2.665 20 30 EFEDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(F)(F)F ZINC000443934169 250237963 /nfs/dbraw/zinc/23/79/63/250237963.db2.gz HVBJUMGLBPVNHM-QPUJVOFHSA-N -1 1 338.326 2.953 20 30 EFEDMM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(C)cc1[O-] ZINC000184416281 269741092 /nfs/dbraw/zinc/74/10/92/269741092.db2.gz RYVDFHNSIMBODS-UHFFFAOYSA-N -1 1 326.352 2.850 20 30 EFEDMM CC(=Cc1cccc(C(=O)[O-])c1Cl)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339564 533380144 /nfs/dbraw/zinc/38/01/44/533380144.db2.gz VMKSVNVFGSNSDZ-VURMDHGXSA-N -1 1 329.743 2.862 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(O)c1 ZINC000160184552 533478774 /nfs/dbraw/zinc/47/87/74/533478774.db2.gz SLIZLXZCPHTGPD-SECBINFHSA-N -1 1 338.335 2.582 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000344562546 142040450 /nfs/dbraw/zinc/04/04/50/142040450.db2.gz PUNCUPVQSUFVHU-ZBFHGGJFSA-N -1 1 330.409 2.841 20 30 EFEDMM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)o2)c1C ZINC000344755779 142073594 /nfs/dbraw/zinc/07/35/94/142073594.db2.gz SMJPXGLNRODCRF-UHFFFAOYSA-N -1 1 334.397 2.516 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000344184449 145387052 /nfs/dbraw/zinc/38/70/52/145387052.db2.gz APTWPPSWHLLAQK-UWVGGRQHSA-N -1 1 336.335 2.798 20 30 EFEDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1C ZINC000344188661 145387799 /nfs/dbraw/zinc/38/77/99/145387799.db2.gz KMVUXNBFBPWJBA-ZDUSSCGKSA-N -1 1 334.397 2.596 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)o1 ZINC000344228784 145396917 /nfs/dbraw/zinc/39/69/17/145396917.db2.gz XGXPWTJBZRLKMV-UHFFFAOYSA-N -1 1 330.409 2.942 20 30 EFEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000350740675 146086237 /nfs/dbraw/zinc/08/62/37/146086237.db2.gz GFIYJIWANRMHLW-UHFFFAOYSA-N -1 1 326.328 2.637 20 30 EFEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@](C)(C(F)(F)F)O1 ZINC000356372154 147226940 /nfs/dbraw/zinc/22/69/40/147226940.db2.gz XUUXZMSUHFIFGM-OAHLLOKOSA-N -1 1 342.317 2.836 20 30 EFEDMM N#Cc1ccc(C(=O)NCCc2cc(C(F)(F)F)ccn2)cc1[O-] ZINC000356627687 147294747 /nfs/dbraw/zinc/29/47/47/147294747.db2.gz HSUBFWZMCNXTFZ-UHFFFAOYSA-N -1 1 335.285 2.650 20 30 EFEDMM CC(=C([O-])Nc1nc(-c2cccnc2)ns1)c1cccc(C#N)c1 ZINC000360392737 148350361 /nfs/dbraw/zinc/35/03/61/148350361.db2.gz DLGGZJMLUMKMBV-LLVKDONJSA-N -1 1 335.392 2.636 20 30 EFEDMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000368501483 150133815 /nfs/dbraw/zinc/13/38/15/150133815.db2.gz BGIMQAGMAQWVNR-UHFFFAOYSA-N -1 1 347.827 2.958 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ncc(-c2ccccc2)o1 ZINC000376289502 151691087 /nfs/dbraw/zinc/69/10/87/151691087.db2.gz KSBNXRHEPXPKKE-NSHDSACASA-N -1 1 343.364 2.846 20 30 EFEDMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCCc4c3cnn4C)cnc2n1 ZINC000328865510 292304227 /nfs/dbraw/zinc/30/42/27/292304227.db2.gz WKVKHFZICXJYKI-AWEZNQCLSA-N -1 1 337.383 2.760 20 30 EFEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCCc3c1cnn3C)c2=O ZINC000328865510 292304230 /nfs/dbraw/zinc/30/42/30/292304230.db2.gz WKVKHFZICXJYKI-AWEZNQCLSA-N -1 1 337.383 2.760 20 30 EFEDMM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000288108933 269788979 /nfs/dbraw/zinc/78/89/79/269788979.db2.gz LKLJNAPZNFGDEO-LBPRGKRZSA-N -1 1 334.397 2.632 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1[O-] ZINC000188427674 265133734 /nfs/dbraw/zinc/13/37/34/265133734.db2.gz WNXSOSRYUFYILQ-QGZVFWFLSA-N -1 1 344.317 2.756 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc1[O-] ZINC000188427252 265133891 /nfs/dbraw/zinc/13/38/91/265133891.db2.gz GWEGXLAWSBTDKY-QGZVFWFLSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1ccc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1[O-] ZINC000188670160 265146051 /nfs/dbraw/zinc/14/60/51/265146051.db2.gz LVAGRYQYGLHFCE-SFHVURJKSA-N -1 1 336.391 2.738 20 30 EFEDMM N#Cc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1[O-] ZINC000188735044 265151512 /nfs/dbraw/zinc/15/15/12/265151512.db2.gz QRHCSICAEVMADJ-UHFFFAOYSA-N -1 1 340.354 2.839 20 30 EFEDMM Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000188753531 265153677 /nfs/dbraw/zinc/15/36/77/265153677.db2.gz FHVMGFBATRUAOI-UHFFFAOYSA-N -1 1 346.390 2.996 20 30 EFEDMM CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188578256 266134456 /nfs/dbraw/zinc/13/44/56/266134456.db2.gz AJDRWDQTVJAERJ-HNNXBMFYSA-N -1 1 338.363 2.566 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cc1[O-] ZINC000188419680 268045007 /nfs/dbraw/zinc/04/50/07/268045007.db2.gz FYYLLJIMOJBJRA-INIZCTEOSA-N -1 1 339.370 2.802 20 30 EFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc(C2CCCC2)[nH][nH]1 ZINC000349827282 268089558 /nfs/dbraw/zinc/08/95/58/268089558.db2.gz IIQBZCOPPJGMAL-MRXNPFEDSA-N -1 1 333.395 2.682 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000287218919 268206733 /nfs/dbraw/zinc/20/67/33/268206733.db2.gz FSPARPMGASSOHE-OCCSQVGLSA-N -1 1 334.372 2.905 20 30 EFEDMM Cc1nc(C(=O)Nc2cc(Br)ccc2[O-])ccc1C#N ZINC000176437381 281842075 /nfs/dbraw/zinc/84/20/75/281842075.db2.gz HQHXWCAOWXGOLG-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1Cl ZINC000077704740 292768483 /nfs/dbraw/zinc/76/84/83/292768483.db2.gz VUGFAMKQVHRIJD-UHFFFAOYSA-N -1 1 334.784 2.947 20 30 EFEDMM COC(=O)c1cccc(CSc2nc(C)c(C)c(=O)[n-]2)c1C#N ZINC000538516383 317696527 /nfs/dbraw/zinc/69/65/27/317696527.db2.gz XUPAGNAPFYPJRD-UHFFFAOYSA-N -1 1 329.381 2.750 20 30 EFEDMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000547871508 318050597 /nfs/dbraw/zinc/05/05/97/318050597.db2.gz LDLHWANHJUFDKE-UHFFFAOYSA-N -1 1 334.328 2.505 20 30 EFEDMM Cc1cnc(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[n-]c1=O ZINC000571179090 319549776 /nfs/dbraw/zinc/54/97/76/319549776.db2.gz GZWDHUHTOVGQAA-AWEZNQCLSA-N -1 1 340.408 2.650 20 30 EFEDMM N#Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)nc1 ZINC000577231955 320091602 /nfs/dbraw/zinc/09/16/02/320091602.db2.gz SZLKAKNJNURQKJ-UHFFFAOYSA-N -1 1 328.397 2.623 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c(F)c1 ZINC000577850278 320150878 /nfs/dbraw/zinc/15/08/78/320150878.db2.gz IBPMMFTXOOILQC-UHFFFAOYSA-N -1 1 340.326 2.768 20 30 EFEDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)CC(F)(F)F ZINC000578861805 323827837 /nfs/dbraw/zinc/82/78/37/323827837.db2.gz QLKOZRUFUQRLHU-SECBINFHSA-N -1 1 338.326 2.954 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(OCC#N)c1 ZINC000081553213 473218890 /nfs/dbraw/zinc/21/88/90/473218890.db2.gz LTDBLLDWQYATNG-UHFFFAOYSA-N -1 1 340.383 2.531 20 30 EFEDMM CCCCOc1ccc(C(=O)Nc2ccn(CCC#N)n2)c([O-])c1 ZINC000190452146 473278955 /nfs/dbraw/zinc/27/89/55/473278955.db2.gz GEEPJEOUWYKASP-UHFFFAOYSA-N -1 1 328.372 2.934 20 30 EFEDMM N#C[C@H](NC(=O)c1ncccc1[O-])c1cccc(Br)c1 ZINC000124697526 473288613 /nfs/dbraw/zinc/28/86/13/473288613.db2.gz VGPHOSUTISNURW-NSHDSACASA-N -1 1 332.157 2.544 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccs1 ZINC000177118164 473310285 /nfs/dbraw/zinc/31/02/85/473310285.db2.gz NDAXAGNSBSVFMT-MRVPVSSYSA-N -1 1 328.365 2.937 20 30 EFEDMM C=CC[C@H](C)NC(=O)c1cc(I)ccc1[O-] ZINC000227291201 474246226 /nfs/dbraw/zinc/24/62/26/474246226.db2.gz KOOCRABLJJFVSO-QMMMGPOBSA-N -1 1 331.153 2.691 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)ccc1C#N ZINC000435728773 477359572 /nfs/dbraw/zinc/35/95/72/477359572.db2.gz QEDZSRXUDXYEOQ-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM C=CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000622143097 479923418 /nfs/dbraw/zinc/92/34/18/479923418.db2.gz DEDRZNHJTOWBKN-KRWDZBQOSA-N -1 1 338.407 2.842 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(CC#N)c2)n1 ZINC000067897558 472106747 /nfs/dbraw/zinc/10/67/47/472106747.db2.gz VKPGRDZKSFICBL-CYBMUJFWSA-N -1 1 339.376 2.876 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)OCO3)n1 ZINC000067895378 472106921 /nfs/dbraw/zinc/10/69/21/472106921.db2.gz GFVXXKQDZMSJFZ-SNVBAGLBSA-N -1 1 344.348 2.539 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(COC)c2)n1 ZINC000067895887 472107072 /nfs/dbraw/zinc/10/70/72/472107072.db2.gz KKDZDGMBYAMSDJ-CYBMUJFWSA-N -1 1 344.392 2.956 20 30 EFEDMM 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/nfs/dbraw/zinc/49/89/78/479498978.db2.gz LDTXBPXAKFLNJQ-UHFFFAOYSA-N -1 1 335.363 2.815 20 30 EFEDMM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589206310 479501048 /nfs/dbraw/zinc/50/10/48/479501048.db2.gz WZFIOMARFNNDKA-LBPRGKRZSA-N -1 1 338.363 2.868 20 30 EFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCCCCC#N ZINC000589844887 479574692 /nfs/dbraw/zinc/57/46/92/479574692.db2.gz BYUYKGBXFBSHEQ-UHFFFAOYSA-N -1 1 327.381 2.610 20 30 EFEDMM Cc1ccccc1CN1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000618927024 479639450 /nfs/dbraw/zinc/63/94/50/479639450.db2.gz AVRQTEXXLZAPIC-UHFFFAOYSA-N -1 1 335.407 2.530 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000618939951 479647293 /nfs/dbraw/zinc/64/72/93/479647293.db2.gz ZJWQAMCQQNSIJO-IBGZPJMESA-N -1 1 336.391 2.738 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000590458734 479650441 /nfs/dbraw/zinc/65/04/41/479650441.db2.gz ZKPWRCZZOJUMSO-QLJPJBMISA-N -1 1 328.393 2.758 20 30 EFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000590478280 479651811 /nfs/dbraw/zinc/65/18/11/479651811.db2.gz VBAMUQQFVMDOHU-KRWDZBQOSA-N -1 1 332.363 2.849 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2cc(C(F)(F)F)ccn2)c1 ZINC000590506354 479654621 /nfs/dbraw/zinc/65/46/21/479654621.db2.gz LRQUFHPYAAYFMD-UHFFFAOYSA-N -1 1 335.285 2.650 20 30 EFEDMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2[nH]c1=O ZINC000590597553 479666041 /nfs/dbraw/zinc/66/60/41/479666041.db2.gz NAGJNQGDYJHVRU-UHFFFAOYSA-N -1 1 339.376 2.509 20 30 EFEDMM COc1ccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000615423299 479672873 /nfs/dbraw/zinc/67/28/73/479672873.db2.gz TZALGXPZFZAGBX-UHFFFAOYSA-N -1 1 326.352 2.553 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1[O-] ZINC000615427478 479673053 /nfs/dbraw/zinc/67/30/53/479673053.db2.gz VZVNDEDUZJKLOX-UHFFFAOYSA-N -1 1 334.375 2.926 20 30 EFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C ZINC000619462720 479800080 /nfs/dbraw/zinc/80/00/80/479800080.db2.gz HAIPTSSFNSTGCS-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cccc(CC#N)c1)OCO2 ZINC000619463697 479801068 /nfs/dbraw/zinc/80/10/68/479801068.db2.gz PDXHSJMRNBDYBF-UHFFFAOYSA-N -1 1 330.365 2.591 20 30 EFEDMM CCCn1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000617433983 480217266 /nfs/dbraw/zinc/21/72/66/480217266.db2.gz NVIZRGIZNKFQFO-UHFFFAOYSA-N -1 1 339.367 2.526 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(F)c1 ZINC000610055975 480232998 /nfs/dbraw/zinc/23/29/98/480232998.db2.gz CIODBAZEJYVABH-UHFFFAOYSA-N -1 1 330.262 2.915 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCCCOc2ccc(F)cc2)c1 ZINC000614295299 480258416 /nfs/dbraw/zinc/25/84/16/480258416.db2.gz KPJAEIOKWBGXAI-UHFFFAOYSA-N -1 1 328.343 2.992 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000614300673 480259304 /nfs/dbraw/zinc/25/93/04/480259304.db2.gz QZSKBBBEPLTYDQ-QGZVFWFLSA-N -1 1 326.352 2.678 20 30 EFEDMM CC[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1ccccc1F ZINC000614300624 480259719 /nfs/dbraw/zinc/25/97/19/480259719.db2.gz MPVLDFIKOVADSJ-HNNXBMFYSA-N -1 1 328.343 2.990 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000614369187 480285342 /nfs/dbraw/zinc/28/53/42/480285342.db2.gz CQOAMHXMKMGFNA-QPJJXVBHSA-N -1 1 347.418 2.735 20 30 EFEDMM C=CC[C@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000425320359 534322925 /nfs/dbraw/zinc/32/29/25/534322925.db2.gz KUWBTOQJCGPFTP-HNNXBMFYSA-N -1 1 327.384 2.841 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000073353835 519744970 /nfs/dbraw/zinc/74/49/70/519744970.db2.gz KXFVVYNERNBCED-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM C=CCCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccc2c(c1)OCO2 ZINC000427787229 534745908 /nfs/dbraw/zinc/74/59/08/534745908.db2.gz GHHIECWHFKVJQZ-UHFFFAOYSA-N -1 1 349.412 2.822 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1C#N ZINC000137447940 524808221 /nfs/dbraw/zinc/80/82/21/524808221.db2.gz ORRIYZYOLPVPSS-UHFFFAOYSA-N -1 1 330.365 2.674 20 30 EFEDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000116712106 525738328 /nfs/dbraw/zinc/73/83/28/525738328.db2.gz NMSLHIYLNYLXFL-QFIPXVFZSA-N -1 1 348.449 2.546 20 30 EFEDMM COc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1OC(C)C ZINC000023162671 525763803 /nfs/dbraw/zinc/76/38/03/525763803.db2.gz XNGAUPBHRUPSQO-IJDCCNJMSA-N -1 1 344.363 2.711 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000157929826 526010539 /nfs/dbraw/zinc/01/05/39/526010539.db2.gz QITHIPMPEIYRFJ-UHFFFAOYSA-N -1 1 341.392 2.552 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000077966373 526194537 /nfs/dbraw/zinc/19/45/37/526194537.db2.gz UKEGGLCFOXSUPI-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ncccc2Br)c1 ZINC000088447212 526732474 /nfs/dbraw/zinc/73/24/74/526732474.db2.gz QNRKADBAHRZKET-UHFFFAOYSA-N -1 1 338.186 2.517 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)cc1C ZINC000349320656 536569956 /nfs/dbraw/zinc/56/99/56/536569956.db2.gz IFYJJMMXGVPBMY-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCOCC1 ZINC000657128390 547039873 /nfs/dbraw/zinc/03/98/73/547039873.db2.gz VFRIKQWYHZIUKZ-UHFFFAOYSA-N -1 1 335.347 2.508 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCC1 ZINC000657188995 547060799 /nfs/dbraw/zinc/06/07/99/547060799.db2.gz HIYUKEOIQOXYHI-UHFFFAOYSA-N -1 1 337.367 2.606 20 30 EFEDMM C=C(C)COCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000675556720 548306157 /nfs/dbraw/zinc/30/61/57/548306157.db2.gz OXLHBQMFHFFOBQ-UHFFFAOYSA-N -1 1 346.427 2.589 20 30 EFEDMM CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1F ZINC000755601526 575606665 /nfs/dbraw/zinc/60/66/65/575606665.db2.gz PECYHZKABPKFFI-GORDUTHDSA-N -1 1 338.331 2.970 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C[C@@H]2C[C@@H]2c2ccccc2)c2ccccc21 ZINC000755640218 575612350 /nfs/dbraw/zinc/61/23/50/575612350.db2.gz MCMYMIBSUFHFKW-DZGCQCFKSA-N -1 1 325.393 2.515 20 30 EFEDMM C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NN=c1[n-]c(C(F)(F)F)cs1 ZINC000755904923 575652476 /nfs/dbraw/zinc/65/24/76/575652476.db2.gz PNCWGYZPZFCCRJ-UHFFFAOYSA-N -1 1 333.295 2.508 20 30 EFEDMM C=C(C)[C@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)OCC ZINC000756471579 575744585 /nfs/dbraw/zinc/74/45/85/575744585.db2.gz RSDNXZXQNMPQIM-HNNXBMFYSA-N -1 1 332.352 2.913 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Br)cc1O ZINC000756814560 575789324 /nfs/dbraw/zinc/78/93/24/575789324.db2.gz APVGHROUCKXDKH-UHFFFAOYSA-N -1 1 337.177 2.795 20 30 EFEDMM C[C@H](C=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000756878698 575795880 /nfs/dbraw/zinc/79/58/80/575795880.db2.gz DLHXPUFJFXQSIR-LLVKDONJSA-N -1 1 331.372 2.654 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(OCC#N)cc1 ZINC000756899172 575798614 /nfs/dbraw/zinc/79/86/14/575798614.db2.gz RTLANCGDQHIRGK-UHFFFAOYSA-N -1 1 325.324 2.742 20 30 EFEDMM Cc1oc2ccccc2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000758097482 575859798 /nfs/dbraw/zinc/85/97/98/575859798.db2.gz DOYNOQSAJGXKCP-UHFFFAOYSA-N -1 1 339.376 2.814 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C(F)(F)F)s2)c(=O)o1 ZINC000761473895 576167445 /nfs/dbraw/zinc/16/74/45/576167445.db2.gz IXPWWXWBFYSPLA-DTRQGZQOSA-N -1 1 330.283 2.995 20 30 EFEDMM N#CCOc1ccccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000763223952 576368071 /nfs/dbraw/zinc/36/80/71/576368071.db2.gz HCSBVPNGAWDMML-UHFFFAOYSA-N -1 1 334.335 2.937 20 30 EFEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1ccc(N2CCCC2)cc1O ZINC000763371573 576374615 /nfs/dbraw/zinc/37/46/15/576374615.db2.gz FCBQUMIGZAQVNB-UHFFFAOYSA-N -1 1 340.383 2.922 20 30 EFEDMM COc1ccc(C=NNc2ccc(C(=O)[O-])cn2)c(Cl)c1OC ZINC000763377244 576374856 /nfs/dbraw/zinc/37/48/56/576374856.db2.gz NHGSXVQKYJGIFG-UHFFFAOYSA-N -1 1 335.747 2.896 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000765571398 577055433 /nfs/dbraw/zinc/05/54/33/577055433.db2.gz GYOCZHTYLLUKAH-UHFFFAOYSA-N -1 1 339.311 2.924 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNCCc3ccccc3F)n[nH]c2c1 ZINC000765585002 577056613 /nfs/dbraw/zinc/05/66/13/577056613.db2.gz WBHADDCCEBFBIH-UHFFFAOYSA-N -1 1 326.331 2.566 20 30 EFEDMM N#Cc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765753842 577072904 /nfs/dbraw/zinc/07/29/04/577072904.db2.gz QREHJJRYRYYQDN-UHFFFAOYSA-N -1 1 345.196 2.885 20 30 EFEDMM CCO[C@H]1CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000766451176 577151908 /nfs/dbraw/zinc/15/19/08/577151908.db2.gz NZJIUXQKIXHWBY-LBPRGKRZSA-N -1 1 332.408 2.644 20 30 EFEDMM Cc1cccc2c1[C@@H](C)CC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000766688418 577177224 /nfs/dbraw/zinc/17/72/24/577177224.db2.gz AHSJOLLQFFRJFK-LBPRGKRZSA-N -1 1 339.420 2.945 20 30 EFEDMM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cnc1Cl ZINC000767471236 577209559 /nfs/dbraw/zinc/20/95/59/577209559.db2.gz LTJPBUXVLYKPHS-UHFFFAOYSA-N -1 1 341.751 2.555 20 30 EFEDMM COc1ccc(NN=Cc2ccc(OCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000767798571 577234713 /nfs/dbraw/zinc/23/47/13/577234713.db2.gz WVDUZTFFVWCJPD-UHFFFAOYSA-N -1 1 345.311 2.513 20 30 EFEDMM C[C@@H]1CCC[C@@H](C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000768367025 577268983 /nfs/dbraw/zinc/26/89/83/577268983.db2.gz LXJIYKHPNVLSRQ-VXGBXAGGSA-N -1 1 325.390 2.685 20 30 EFEDMM CC(=NNS(=O)(=O)c1ccc(F)cc1)c1ccc([O-])c(Cl)c1 ZINC000768776414 577301455 /nfs/dbraw/zinc/30/14/55/577301455.db2.gz NABPZJVRJABQJU-UHFFFAOYSA-N -1 1 342.779 2.887 20 30 EFEDMM C=CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1 ZINC000768834761 577307551 /nfs/dbraw/zinc/30/75/51/577307551.db2.gz PERZJWNRVHZHMH-LBPRGKRZSA-N -1 1 339.398 2.647 20 30 EFEDMM CC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCOCC1 ZINC000769810304 577387098 /nfs/dbraw/zinc/38/70/98/577387098.db2.gz ONHUJMVESOVFIH-UHFFFAOYSA-N -1 1 332.408 2.501 20 30 EFEDMM C#CC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000770234054 577408166 /nfs/dbraw/zinc/40/81/66/577408166.db2.gz XOTGCFNEOMYWLB-UHFFFAOYSA-N -1 1 343.029 2.667 20 30 EFEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000771591212 581225515 /nfs/dbraw/zinc/22/55/15/581225515.db2.gz HRNWAMRPNVHIPH-UHFFFAOYSA-N -1 1 344.392 2.715 20 30 EFEDMM COc1c([O-])c(C=NNc2cc([N+](=O)[O-])ccc2C)ccc1[N+](=O)[O-] ZINC000773053874 581391324 /nfs/dbraw/zinc/39/13/24/581391324.db2.gz FKKJLEBXCVLKFB-UHFFFAOYSA-N -1 1 346.299 2.972 20 30 EFEDMM COc1c([O-])c(C=NNCc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000773055582 581391578 /nfs/dbraw/zinc/39/15/78/581391578.db2.gz QSARGIQKQKLGIT-UHFFFAOYSA-N -1 1 337.282 2.711 20 30 EFEDMM COc1cc(F)ccc1NN=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000773075883 581394075 /nfs/dbraw/zinc/39/40/75/581394075.db2.gz ZZIWUNFOGRIGOK-UHFFFAOYSA-N -1 1 335.291 2.903 20 30 EFEDMM CC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000773865279 581470655 /nfs/dbraw/zinc/47/06/55/581470655.db2.gz VVVANKNIHRDZCS-UHFFFAOYSA-N -1 1 343.404 2.976 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000774402719 581490858 /nfs/dbraw/zinc/49/08/58/581490858.db2.gz KTFKCMAOHAQNLH-UHFFFAOYSA-N -1 1 326.381 2.835 20 30 EFEDMM Cc1cccc(N(CCC#N)C(=O)CNC2(C(=O)[O-])CCCC2)c1C ZINC000818944234 597263524 /nfs/dbraw/zinc/26/35/24/597263524.db2.gz JFBOEFOTNPQWAA-UHFFFAOYSA-N -1 1 343.427 2.537 20 30 EFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000819857430 598227281 /nfs/dbraw/zinc/22/72/81/598227281.db2.gz XIOBCBKGTBQVLB-GOSISDBHSA-N -1 1 349.350 2.568 20 30 EFEDMM CCCCC(COC)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736439784 599535244 /nfs/dbraw/zinc/53/52/44/599535244.db2.gz YVEYZAOLJFYACD-UHFFFAOYSA-N -1 1 335.412 2.757 20 30 EFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000736203960 600363111 /nfs/dbraw/zinc/36/31/11/600363111.db2.gz WTFZCUJQBLARHY-STQMWFEESA-N -1 1 349.456 2.529 20 30 EFEDMM CC(=O)Nc1cccc2c1CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736168182 600564685 /nfs/dbraw/zinc/56/46/85/600564685.db2.gz CSLCUAARRHQJRR-IBGZPJMESA-N -1 1 349.390 2.701 20 30 EFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000739106156 600573365 /nfs/dbraw/zinc/57/33/65/600573365.db2.gz PZVMSXMVJKXHAP-ZIAGYGMSSA-N -1 1 342.317 2.727 20 30 EFEDMM O=C([O-])c1ccc(C=NNc2nc(-c3ccccn3)nc3c2CCC3)o1 ZINC000740122414 600981769 /nfs/dbraw/zinc/98/17/69/600981769.db2.gz CISRFXQGOPSERG-UHFFFAOYSA-N -1 1 349.350 2.765 20 30 EFEDMM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000827055011 601300514 /nfs/dbraw/zinc/30/05/14/601300514.db2.gz VFTNZANHGQYMGW-KRWDZBQOSA-N -1 1 325.368 2.656 20 30 EFEDMM CCCOc1ncccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829541652 601302864 /nfs/dbraw/zinc/30/28/64/601302864.db2.gz SCPQLCZHCKGASZ-MRXNPFEDSA-N -1 1 325.368 2.658 20 30 EFEDMM N#Cc1cccc([C@H](OC(=O)c2cc(-c3ccco3)n[nH]2)C(=O)[O-])c1 ZINC000833077400 601348221 /nfs/dbraw/zinc/34/82/21/601348221.db2.gz RKXBKCZNGQJJTB-HNNXBMFYSA-N -1 1 337.291 2.524 20 30 EFEDMM C=CCn1c2ccccc2n(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825705830 601816876 /nfs/dbraw/zinc/81/68/76/601816876.db2.gz SUAJIKIBLXECKK-OLZOCXBDSA-N -1 1 331.441 2.968 20 30 EFEDMM N#CCCN(C(=O)CN1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000833065450 601842867 /nfs/dbraw/zinc/84/28/67/601842867.db2.gz DQOMOWLPOOTGBP-UHFFFAOYSA-N -1 1 343.427 2.510 20 30 EFEDMM O=C([O-])C[C@@H]1CSCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833223076 601887000 /nfs/dbraw/zinc/88/70/00/601887000.db2.gz VBDQFDAMALHOLE-CQSZACIVSA-N -1 1 343.370 2.949 20 30 EFEDMM COCCN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(C#N)cc1 ZINC000831735551 601944933 /nfs/dbraw/zinc/94/49/33/601944933.db2.gz YCFLJCJBKAXTRY-UHFFFAOYSA-N -1 1 330.409 2.967 20 30 EFEDMM N#Cc1c(F)cccc1N1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000833761106 604579972 /nfs/dbraw/zinc/57/99/72/604579972.db2.gz NZLKBMJVESYWAK-UHFFFAOYSA-N -1 1 339.370 2.718 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833378133 604969557 /nfs/dbraw/zinc/96/95/57/604969557.db2.gz KFXYDKDNEHUWIN-CYBMUJFWSA-N -1 1 334.441 2.842 20 30 EFEDMM C=CCNc1ncc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)s1 ZINC000833375699 605057390 /nfs/dbraw/zinc/05/73/90/605057390.db2.gz JAHBHTPXFRGHIR-UHFFFAOYSA-N -1 1 343.368 2.568 20 30 EFEDMM C#CC[C@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccccc1 ZINC000833360624 605134034 /nfs/dbraw/zinc/13/40/34/605134034.db2.gz MWOSVJUJRZZESG-ZDUSSCGKSA-N -1 1 328.393 2.739 20 30 EFEDMM CCCCO[C@H]1CC(N=Nc2oc(C)nc2-c2nn[n-]n2)C1(C)C ZINC000821071557 606166184 /nfs/dbraw/zinc/16/61/84/606166184.db2.gz ILHGQZSZASMWHO-NSHDSACASA-N -1 1 333.396 2.546 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821770442 606388613 /nfs/dbraw/zinc/38/86/13/606388613.db2.gz UEYRVGPENPXZQG-HWKANZROSA-N -1 1 330.344 2.972 20 30 EFEDMM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000826402829 608093154 /nfs/dbraw/zinc/09/31/54/608093154.db2.gz CWWRRVVHIODHSA-WAYWQWQTSA-N -1 1 327.325 2.733 20 30 EFEDMM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000826402829 608093155 /nfs/dbraw/zinc/09/31/55/608093155.db2.gz CWWRRVVHIODHSA-WAYWQWQTSA-N -1 1 327.325 2.733 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1O ZINC000826178931 608093543 /nfs/dbraw/zinc/09/35/43/608093543.db2.gz RGFFZVACQCMZCC-HWKANZROSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1O ZINC000826178931 608093544 /nfs/dbraw/zinc/09/35/44/608093544.db2.gz RGFFZVACQCMZCC-HWKANZROSA-N -1 1 328.353 2.539 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c([O-])c(F)c1 ZINC001272781938 1258009421 /nfs/dbraw/zinc/00/94/21/1258009421.db2.gz JEAOHKODIIDTSQ-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM N#CCCCN1CC[C@@]2(CCCN2Cc2cc(F)c([O-])c(F)c2)C1=O ZINC001272784589 1258024775 /nfs/dbraw/zinc/02/47/75/1258024775.db2.gz WDTUKNXBVNTXGY-SFHVURJKSA-N -1 1 349.381 2.541 20 30 EFEDMM C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062149894 1260180575 /nfs/dbraw/zinc/18/05/75/1260180575.db2.gz ORKLVCVUOUACQY-AUUYWEPGSA-N -1 1 345.443 2.500 20 30 EFEDMM C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062314762 1260420881 /nfs/dbraw/zinc/42/08/81/1260420881.db2.gz YCFANZLPUFHQGA-HUUCEWRRSA-N -1 1 345.443 2.500 20 30 EFEDMM CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccccc1O ZINC001085488663 1267629541 /nfs/dbraw/zinc/62/95/41/1267629541.db2.gz DMNUTWXVAYFDSJ-KRWDZBQOSA-N -1 1 335.407 2.610 20 30 EFEDMM C=C1c2ccccc2C(=O)N1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389661 1267801990 /nfs/dbraw/zinc/80/19/90/1267801990.db2.gz CQRIIIWPOSRROT-UHFFFAOYSA-N -1 1 337.261 2.538 20 30 EFEDMM C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429666 1270340112 /nfs/dbraw/zinc/34/01/12/1270340112.db2.gz SFBVMTDFGVHFQZ-CABCVRRESA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1nn(-c2ccc(F)cc2)c(C)c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000744516593 1271074262 /nfs/dbraw/zinc/07/42/62/1271074262.db2.gz OSINOWBIQWZRQZ-UHFFFAOYSA-N -1 1 340.362 2.878 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001143648976 1278632543 /nfs/dbraw/zinc/63/25/43/1278632543.db2.gz NIINHKDKODJSLI-AWEZNQCLSA-N -1 1 336.269 2.955 20 30 EFEDMM C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078975555 1272539449 /nfs/dbraw/zinc/53/94/49/1272539449.db2.gz IFDOSRPRQWTMDM-OAHLLOKOSA-N -1 1 345.443 2.597 20 30 EFEDMM C#CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000785487643 1273134028 /nfs/dbraw/zinc/13/40/28/1273134028.db2.gz OVZKGEMDBDHALK-UHFFFAOYSA-N -1 1 347.367 2.725 20 30 EFEDMM CC(N=Nc1ncccn1)c1cc(Br)c(F)cc1[O-] ZINC000746564045 1275225314 /nfs/dbraw/zinc/22/53/14/1275225314.db2.gz FYMPDDRWTCMZEB-UHFFFAOYSA-N -1 1 325.141 2.920 20 30 EFEDMM N#Cc1cc2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)cc2cc1C#N ZINC001170229298 1278944164 /nfs/dbraw/zinc/94/41/64/1278944164.db2.gz QZHGMEJDLRKKON-UHFFFAOYSA-N -1 1 327.307 2.699 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1coc2ccccc12 ZINC000746576956 1275366121 /nfs/dbraw/zinc/36/61/21/1275366121.db2.gz CZRJFRPJJNEUMH-UHFFFAOYSA-N -1 1 345.336 2.653 20 30 EFEDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccccc2OCC#N)c1 ZINC001212599141 1275647591 /nfs/dbraw/zinc/64/75/91/1275647591.db2.gz FYHYAZHQIMFZGK-UHFFFAOYSA-N -1 1 332.381 2.832 20 30 EFEDMM CC(C=CC(=O)c1c([O-])cc(C)oc1=O)=Cc1cccc([N+](=O)[O-])c1 ZINC000787167908 1275700491 /nfs/dbraw/zinc/70/04/91/1275700491.db2.gz GZQOHPVULUSONS-DPJILGTMSA-N -1 1 341.319 2.769 20 30 EFEDMM [O-]c1c(Br)cccc1C=NN[C@@H](CO)c1ccccc1 ZINC000788469634 1276186475 /nfs/dbraw/zinc/18/64/75/1276186475.db2.gz QZMAQHVXJRUQDQ-AWEZNQCLSA-N -1 1 335.201 2.812 20 30 EFEDMM [O-]c1ccc(C=NN[C@H](CO)c2ccccc2)cc1Br ZINC000788470096 1276186636 /nfs/dbraw/zinc/18/66/36/1276186636.db2.gz VAOCJTIYJOHCDH-CQSZACIVSA-N -1 1 335.201 2.812 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3ccc(Br)cc32)n1 ZINC000818194364 1276488388 /nfs/dbraw/zinc/48/83/88/1276488388.db2.gz GFLCKDBCHFZRQY-UHFFFAOYSA-N -1 1 349.188 2.852 20 30 EFEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@](C)(C(F)(F)F)O1 ZINC000818190285 1276488582 /nfs/dbraw/zinc/48/85/82/1276488582.db2.gz UQFJCLMZOYYUDU-OAHLLOKOSA-N -1 1 342.317 2.836 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000789053725 1276498178 /nfs/dbraw/zinc/49/81/78/1276498178.db2.gz CFUOLNYBMOUYFF-UHFFFAOYSA-N -1 1 349.828 2.586 20 30 EFEDMM C[C@@H](C=Nn1c(=O)cn[n-]c1=S)c1ccc(C(F)(F)F)cc1 ZINC000789055648 1276498266 /nfs/dbraw/zinc/49/82/66/1276498266.db2.gz YWMINLLLSGCYSB-QMMMGPOBSA-N -1 1 328.319 2.583 20 30 EFEDMM C[C@](O)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1Cl ZINC000790074070 1277210272 /nfs/dbraw/zinc/21/02/72/1277210272.db2.gz ANNKLNHSKDVBRA-KRWDZBQOSA-N -1 1 330.771 2.555 20 30 EFEDMM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790051716 1277219731 /nfs/dbraw/zinc/21/97/31/1277219731.db2.gz RUXMPKFQGZIEBG-CYBMUJFWSA-N -1 1 342.786 2.920 20 30 EFEDMM COC1(C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CCCC1 ZINC000790164787 1277305109 /nfs/dbraw/zinc/30/51/09/1277305109.db2.gz ZVHIAZAQXXFANJ-UHFFFAOYSA-N -1 1 332.408 2.644 20 30 EFEDMM COc1cccc(S([O-])=CC(=O)O[C@H](C#N)C2CCCCC2)c1 ZINC000820780890 1277325917 /nfs/dbraw/zinc/32/59/17/1277325917.db2.gz YSTLHQZCFROUCC-WAIKUNEKSA-N -1 1 335.425 2.818 20 30 EFEDMM CC(=N[N-]c1nc2ccccn2n1)c1c(Cl)nc2sccn21 ZINC000790193495 1277340394 /nfs/dbraw/zinc/34/03/94/1277340394.db2.gz GLQHJJAPMSSBMA-UHFFFAOYSA-N -1 1 331.792 2.928 20 30 EFEDMM C=CCC(F)(F)C(=O)[N-][C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000815182659 1287353544 /nfs/dbraw/zinc/35/35/44/1287353544.db2.gz UDILLAWYALTKBR-NSHDSACASA-N -1 1 340.326 2.605 20 30 EFEDMM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144553424 1279819537 /nfs/dbraw/zinc/81/95/37/1279819537.db2.gz CNUXUMWQUITDPK-RDTXWAMCSA-N -1 1 339.382 2.997 20 30 EFEDMM C#CC[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000747192429 1280248563 /nfs/dbraw/zinc/24/85/63/1280248563.db2.gz DYLZFNMBFPOVRL-GFCCVEGCSA-N -1 1 341.429 2.561 20 30 EFEDMM C#CC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000747192430 1280248666 /nfs/dbraw/zinc/24/86/66/1280248666.db2.gz DYLZFNMBFPOVRL-LBPRGKRZSA-N -1 1 341.429 2.561 20 30 EFEDMM C/C(I)=C/C(=O)Nc1ccc(C#N)cc1[O-] ZINC001145012363 1280691709 /nfs/dbraw/zinc/69/17/09/1280691709.db2.gz YDMNQIYGWZRCHH-DAXSKMNVSA-N -1 1 328.109 2.541 20 30 EFEDMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001145045244 1280713182 /nfs/dbraw/zinc/71/31/82/1280713182.db2.gz UPUJWCUCKXIGIO-AWEZNQCLSA-N -1 1 333.388 2.752 20 30 EFEDMM C=CC[C@H]1N(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCCC1(C)C ZINC000806492113 1281071293 /nfs/dbraw/zinc/07/12/93/1281071293.db2.gz ACRNTFBVUMGTGO-OAHLLOKOSA-N -1 1 327.432 2.940 20 30 EFEDMM C[C@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC000807962012 1281480877 /nfs/dbraw/zinc/48/08/77/1281480877.db2.gz ANZPYEYYHLACQG-NSHDSACASA-N -1 1 325.393 2.637 20 30 EFEDMM C[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000807975313 1281495404 /nfs/dbraw/zinc/49/54/04/1281495404.db2.gz OGVWEYAMYJWLOV-NSHDSACASA-N -1 1 345.380 2.785 20 30 EFEDMM Cc1ccc(C(=O)Nc2ncc(C#N)cc2Br)c([O-])c1 ZINC001148492814 1281586778 /nfs/dbraw/zinc/58/67/78/1281586778.db2.gz UFZNXSPBMIUUAP-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM N#CCCN1CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148866685 1281789502 /nfs/dbraw/zinc/78/95/02/1281789502.db2.gz MXVLJHUUGZAIGA-UHFFFAOYSA-N -1 1 335.407 2.731 20 30 EFEDMM C=C(C)C(=O)NCCCNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148869636 1281792427 /nfs/dbraw/zinc/79/24/27/1281792427.db2.gz MWKFUOXGXAPAMR-UHFFFAOYSA-N -1 1 338.407 2.871 20 30 EFEDMM CC(C)C[C@@H](C#N)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148995292 1281827837 /nfs/dbraw/zinc/82/78/37/1281827837.db2.gz CRWWAQCMYAZHDP-VIFPVBQESA-N -1 1 327.178 2.528 20 30 EFEDMM CCCCN(CC#N)C(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148988485 1281834029 /nfs/dbraw/zinc/83/40/29/1281834029.db2.gz DFGXGGMRRZNZFT-UHFFFAOYSA-N -1 1 327.178 2.626 20 30 EFEDMM COc1cccc2c(C(=O)OCc3cc(C#N)ccc3F)[nH]nc21 ZINC000808675350 1281859839 /nfs/dbraw/zinc/85/98/39/1281859839.db2.gz DHXKHESJUIUYQD-UHFFFAOYSA-N -1 1 325.299 2.939 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC2CCC(O)(c3ccccc3)CC2)c1 ZINC000809766005 1282464475 /nfs/dbraw/zinc/46/44/75/1282464475.db2.gz UWNXWGIXHHRDHK-UHFFFAOYSA-N -1 1 336.391 2.824 20 30 EFEDMM C#C[C@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809841204 1282500091 /nfs/dbraw/zinc/50/00/91/1282500091.db2.gz ZYXDGQMXVUVVKF-SSDOTTSWSA-N -1 1 337.184 2.592 20 30 EFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809826333 1282527812 /nfs/dbraw/zinc/52/78/12/1282527812.db2.gz YPKSBPGYKPTPSL-LURJTMIESA-N -1 1 325.173 2.754 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc1[O-] ZINC001175885595 1287575525 /nfs/dbraw/zinc/57/55/25/1287575525.db2.gz VFVYKZTWMVUVKA-KRWDZBQOSA-N -1 1 332.363 2.632 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CCCc3cc(F)ccc32)c2ccccc21 ZINC000747629139 1283565869 /nfs/dbraw/zinc/56/58/69/1283565869.db2.gz DSDJDRDLRJKLSH-UHFFFAOYSA-N -1 1 343.383 2.605 20 30 EFEDMM COc1cc(C)nc(=NN=C(c2c(C)nn(C)c2C)C(F)(F)F)[n-]1 ZINC000747634328 1283690005 /nfs/dbraw/zinc/69/00/05/1283690005.db2.gz DORNHGCKEDCJIQ-UHFFFAOYSA-N -1 1 342.325 2.522 20 30 EFEDMM COc1cc(C)[n-]c(=NN=C(c2c(C)nn(C)c2C)C(F)(F)F)n1 ZINC000747634328 1283690020 /nfs/dbraw/zinc/69/00/20/1283690020.db2.gz DORNHGCKEDCJIQ-UHFFFAOYSA-N -1 1 342.325 2.522 20 30 EFEDMM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000811687726 1284533243 /nfs/dbraw/zinc/53/32/43/1284533243.db2.gz INHOQSZFRYXVGG-UHFFFAOYSA-N -1 1 340.401 2.774 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(Br)c2)c(=O)o1 ZINC000105639138 1284988623 /nfs/dbraw/zinc/98/86/23/1284988623.db2.gz ZOALIJLVCRHSJJ-GXMNPTEKSA-N -1 1 335.153 2.677 20 30 EFEDMM C#CCO[N-]C(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C ZINC000812785613 1285416457 /nfs/dbraw/zinc/41/64/57/1285416457.db2.gz YOAGZNLPUSIKIF-UHFFFAOYSA-N -1 1 331.803 2.674 20 30 EFEDMM CS(=O)(=O)N(Cc1ccccc1)N=Cc1ccc([O-])c(Cl)c1 ZINC000814237756 1286434540 /nfs/dbraw/zinc/43/45/40/1286434540.db2.gz YDZNXIGUMWRDFS-UHFFFAOYSA-N -1 1 338.816 2.841 20 30 EFEDMM Cc1c[nH]nc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000814767481 1287011764 /nfs/dbraw/zinc/01/17/64/1287011764.db2.gz JOONEDWIYZKOLV-UHFFFAOYSA-N -1 1 330.442 2.773 20 30 EFEDMM Cc1n[nH]cc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001174471318 1287029801 /nfs/dbraw/zinc/02/98/01/1287029801.db2.gz DKNFEKQAWONHGV-FRKPEAEDSA-N -1 1 326.385 2.997 20 30 EFEDMM [O-]c1cc(F)c(Cl)cc1C=NNC(=S)NCC(F)(F)F ZINC000814821641 1287055620 /nfs/dbraw/zinc/05/56/20/1287055620.db2.gz DJZPNLVDUUATAE-UHFFFAOYSA-N -1 1 329.706 2.545 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174583980 1287058923 /nfs/dbraw/zinc/05/89/23/1287058923.db2.gz BFFXWDLIEQWUNT-UHFFFAOYSA-N -1 1 329.747 2.655 20 30 EFEDMM O=c1nc(N=NC2CCCC[C@H]2C2=CCCCC2)nc2[nH][n-]cc1-2 ZINC000814843394 1287092651 /nfs/dbraw/zinc/09/26/51/1287092651.db2.gz UTLZEPKVABEBJD-LBPRGKRZSA-N -1 1 326.404 2.891 20 30 EFEDMM COC(=O)c1ccc(N=NCc2cccc(C(=O)[O-])c2Cl)nc1 ZINC000814888546 1287131171 /nfs/dbraw/zinc/13/11/71/1287131171.db2.gz FGOVLLFJNRCXHZ-UHFFFAOYSA-N -1 1 333.731 2.666 20 30 EFEDMM CS(=O)(=O)N(Cc1ccccc1)N=Cc1cccc([O-])c1Cl ZINC000814940803 1287169029 /nfs/dbraw/zinc/16/90/29/1287169029.db2.gz 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N#Cc1c(F)ccc([N-]S(=O)(=O)c2cccc3nccnc32)c1F ZINC001194978923 1293765428 /nfs/dbraw/zinc/76/54/28/1293765428.db2.gz RKCUINQTYWEYFR-UHFFFAOYSA-N -1 1 346.318 2.580 20 30 EFEDMM C=CCCOc1ccc(C(=O)Nc2nc(C(=O)OCC)c[n-]2)cc1 ZINC001195114592 1293808426 /nfs/dbraw/zinc/80/84/26/1293808426.db2.gz MBHYMTXNBDFOOE-UHFFFAOYSA-N -1 1 329.356 2.794 20 30 EFEDMM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1sccc1C(F)(F)F ZINC001195219820 1293854559 /nfs/dbraw/zinc/85/45/59/1293854559.db2.gz LRDKBWHQKLYNCT-UHFFFAOYSA-N -1 1 344.274 2.702 20 30 EFEDMM N#Cc1ncc(NC(=O)c2cc([O-])cnc2Cl)cc1C(F)(F)F ZINC001195298311 1293883756 /nfs/dbraw/zinc/88/37/56/1293883756.db2.gz VMLDZMQOTVPJFW-UHFFFAOYSA-N -1 1 342.664 2.978 20 30 EFEDMM C#CCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195443389 1293921123 /nfs/dbraw/zinc/92/11/23/1293921123.db2.gz KPYXRSLGNYOMPK-UHFFFAOYSA-N -1 1 340.601 2.543 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1nccc(Cl)c1Cl ZINC001195460137 1293926544 /nfs/dbraw/zinc/92/65/44/1293926544.db2.gz VEDZQFHRCKVMBF-UHFFFAOYSA-N -1 1 325.155 2.828 20 30 EFEDMM N#Cc1ccc(O)c(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000133564710 1293933178 /nfs/dbraw/zinc/93/31/78/1293933178.db2.gz WFPHDIMEUWGLKF-UHFFFAOYSA-N -1 1 333.141 2.984 20 30 EFEDMM CCOC(=O)NC(=S)[N-]c1ccc(N2CCCCC2)c(C#N)c1 ZINC001195486585 1293940603 /nfs/dbraw/zinc/94/06/03/1293940603.db2.gz IBXCBNWEYPXTMB-UHFFFAOYSA-N -1 1 332.429 2.991 20 30 EFEDMM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195506388 1293947092 /nfs/dbraw/zinc/94/70/92/1293947092.db2.gz OAKSDSAPTSPZIA-GFCCVEGCSA-N -1 1 349.225 2.949 20 30 EFEDMM Cc1noc([N-]C(=O)c2nc(C3CC3)ncc2Br)c1C#N ZINC001195970205 1294088471 /nfs/dbraw/zinc/08/84/71/1294088471.db2.gz GKDPKNTVQTYSFC-UHFFFAOYSA-N -1 1 348.160 2.537 20 30 EFEDMM COc1ncc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)cn1 ZINC001196308938 1294185914 /nfs/dbraw/zinc/18/59/14/1294185914.db2.gz FOSYUAMDCCRECT-UHFFFAOYSA-N -1 1 346.346 2.982 20 30 EFEDMM N#Cc1nc[nH]c1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309612 1294186329 /nfs/dbraw/zinc/18/63/29/1294186329.db2.gz ZIOYIFGYUTYFJE-UHFFFAOYSA-N -1 1 329.319 2.778 20 30 EFEDMM C[C@H]1C[C@@H](CO)N(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196309147 1294186611 /nfs/dbraw/zinc/18/66/11/1294186611.db2.gz OBSHRFAGIVAAEO-UGSOOPFHSA-N -1 1 336.391 2.774 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCCc3cnccn3)c2)c1 ZINC001196320951 1294196730 /nfs/dbraw/zinc/19/67/30/1294196730.db2.gz STIFBALCICILED-UHFFFAOYSA-N -1 1 344.374 2.693 20 30 EFEDMM C#CC[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234122794 1313061973 /nfs/dbraw/zinc/06/19/73/1313061973.db2.gz AFGHIFFPTNCYBP-VIFPVBQESA-N -1 1 326.304 2.854 20 30 EFEDMM C[C@@H](CS)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234127823 1313062765 /nfs/dbraw/zinc/06/27/65/1313062765.db2.gz JIVPCVFKECFBHQ-ZETCQYMHSA-N -1 1 334.349 2.760 20 30 EFEDMM COC(=O)c1ccc(NC(=S)Nc2c([O-])cccc2C#N)cc1 ZINC001196764647 1294351999 /nfs/dbraw/zinc/35/19/99/1294351999.db2.gz ZZDCZSOYPGVPDF-UHFFFAOYSA-N -1 1 327.365 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CO[C@@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCCC1 ZINC000853306090 1300081044 /nfs/dbraw/zinc/08/10/44/1300081044.db2.gz JUFKDPPTYUZTRF-ZDUSSCGKSA-N -1 1 346.435 2.890 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)o2)cc1 ZINC000112484173 1300655646 /nfs/dbraw/zinc/65/56/46/1300655646.db2.gz MPOCAWRXEHZPRX-LBPRGKRZSA-N -1 1 330.365 2.971 20 30 EFEDMM C=CCOC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237939825 1313733506 /nfs/dbraw/zinc/73/35/06/1313733506.db2.gz GTZUTQANYORYIE-UHFFFAOYSA-N -1 1 328.771 2.625 20 30 EFEDMM C=CCCO[N-]C(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1 ZINC000856034352 1301211711 /nfs/dbraw/zinc/21/17/11/1301211711.db2.gz DYEPKOMNEKFYKR-SFHVURJKSA-N -1 1 332.400 2.659 20 30 EFEDMM N#Cc1ccc(CN2CCC([N-]C(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC001238085321 1313758289 /nfs/dbraw/zinc/75/82/89/1313758289.db2.gz BIGMDRSIIMKWRN-UHFFFAOYSA-N -1 1 345.752 2.855 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCc2ccccc21 ZINC000748254789 1313833582 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N#Cc1ccc(O)c(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000748411156 1313911556 /nfs/dbraw/zinc/91/15/56/1313911556.db2.gz YBHRORNRZNCKGQ-UHFFFAOYSA-N -1 1 333.141 2.984 20 30 EFEDMM CCOC(=O)c1scnc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000794940658 1303706859 /nfs/dbraw/zinc/70/68/59/1303706859.db2.gz CFRUUNZHOYWVON-GQCTYLIASA-N -1 1 347.348 2.620 20 30 EFEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)c1 ZINC000794941591 1303742324 /nfs/dbraw/zinc/74/23/24/1303742324.db2.gz RSFVZRKJRFUGPO-GORDUTHDSA-N -1 1 325.320 2.628 20 30 EFEDMM Cn1cc([C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F)cn1 ZINC000867866664 1303994957 /nfs/dbraw/zinc/99/49/57/1303994957.db2.gz DOTXVSXNSRRNMZ-ZETCQYMHSA-N -1 1 339.186 2.727 20 30 EFEDMM C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000870122707 1305152365 /nfs/dbraw/zinc/15/23/65/1305152365.db2.gz MOHRDWMSXVYSJQ-HNNXBMFYSA-N -1 1 335.407 2.783 20 30 EFEDMM CC1CC(C#N)(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)C1 ZINC000870161246 1305183250 /nfs/dbraw/zinc/18/32/50/1305183250.db2.gz CQZQPWFKZVQLPC-UHFFFAOYSA-N -1 1 347.846 2.630 20 30 EFEDMM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1cc(F)ccc1[O-] ZINC001240696602 1314062017 /nfs/dbraw/zinc/06/20/17/1314062017.db2.gz SXWWZGKLWTWDPL-GFCCVEGCSA-N -1 1 329.331 2.937 20 30 EFEDMM C[C@@H](CCCNc1cccc(F)c1C#N)NC(=O)c1ncccc1[O-] ZINC001114906491 1305774100 /nfs/dbraw/zinc/77/41/00/1305774100.db2.gz GELMIMUWQSYLFV-LBPRGKRZSA-N -1 1 342.374 2.809 20 30 EFEDMM C=CCOc1cccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC000900070283 1307634066 /nfs/dbraw/zinc/63/40/66/1307634066.db2.gz ICOFQNKNVMOXLN-HNNXBMFYSA-N -1 1 327.384 2.771 20 30 EFEDMM CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cccc2ccccc21 ZINC000780224432 1314205671 /nfs/dbraw/zinc/20/56/71/1314205671.db2.gz DXBBHGZTSFHOOB-UHFFFAOYSA-N -1 1 332.367 2.811 20 30 EFEDMM CCOC(=O)c1ccnc(-c2ccc([O-])c(C#N)c2)c1C(=O)OCC ZINC001242563137 1314216173 /nfs/dbraw/zinc/21/61/73/1314216173.db2.gz ACDNAURIBLQIMO-UHFFFAOYSA-N -1 1 340.335 2.679 20 30 EFEDMM COC(=O)c1c(F)cccc1N=NCc1ccc(OCC(=O)[O-])cc1 ZINC000800818907 1308484909 /nfs/dbraw/zinc/48/49/09/1308484909.db2.gz WBAZUFUYVFFOQT-UHFFFAOYSA-N -1 1 346.314 2.522 20 30 EFEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)C1=CC(=O)CC(C)(C)C1 ZINC001210155325 1314289117 /nfs/dbraw/zinc/28/91/17/1314289117.db2.gz HENHQRMJHKMSEH-UHFFFAOYSA-N -1 1 347.440 2.989 20 30 EFEDMM Cc1cc(C#N)cc(Nc2ccc(S(=O)(=O)N(C)C)cc2[O-])c1 ZINC001210390076 1314325384 /nfs/dbraw/zinc/32/53/84/1314325384.db2.gz BGMHVUOVNVCRKO-UHFFFAOYSA-N -1 1 331.397 2.566 20 30 EFEDMM C=CCCC(=O)COC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801417052 1310145534 /nfs/dbraw/zinc/14/55/34/1310145534.db2.gz YDJIOCVEMCZHAJ-UHFFFAOYSA-N -1 1 328.368 2.887 20 30 EFEDMM CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc([O-])c(Br)c1 ZINC000901333094 1310166474 /nfs/dbraw/zinc/16/64/74/1310166474.db2.gz XNRZNLOJPVPOJF-TZMCWYRMSA-N -1 1 327.222 2.772 20 30 EFEDMM Cc1cnc2nc(C(=O)N([O-])Cc3cccc4ccccc43)nn2c1 ZINC000901369511 1310249889 /nfs/dbraw/zinc/24/98/89/1310249889.db2.gz 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N#Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C#N ZINC001259396702 1316237460 /nfs/dbraw/zinc/23/74/60/1316237460.db2.gz USJRZVAXJRSKLS-UHFFFAOYSA-N -1 1 340.389 2.840 20 30 EFEDMM Cc1noc2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc12 ZINC001259417270 1316239873 /nfs/dbraw/zinc/23/98/73/1316239873.db2.gz FIUGZSVLEUGYFG-UHFFFAOYSA-N -1 1 331.328 2.948 20 30 EFEDMM Cc1cc2c([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cccc2nn1 ZINC001259417203 1316240002 /nfs/dbraw/zinc/24/00/02/1316240002.db2.gz LHWHNJSWYXSUTK-UHFFFAOYSA-N -1 1 342.355 2.750 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)cc1C#N ZINC001259445723 1316244170 /nfs/dbraw/zinc/24/41/70/1316244170.db2.gz QWHSJEKSFDIGSC-UHFFFAOYSA-N -1 1 349.318 2.832 20 30 EFEDMM N#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccc(F)cc1 ZINC001259503387 1316252526 /nfs/dbraw/zinc/25/25/26/1316252526.db2.gz UOSSNDMTZNTHKX-ZDUSSCGKSA-N -1 1 344.289 2.786 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C#N ZINC001259523271 1316256743 /nfs/dbraw/zinc/25/67/43/1316256743.db2.gz MIIYDAMDOWDPPD-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM CCCCCCCCOC(=O)C[N-]S(=O)(=O)CCC(F)(F)F ZINC001259875883 1316291030 /nfs/dbraw/zinc/29/10/30/1316291030.db2.gz SXRDAVHYGLBNQZ-UHFFFAOYSA-N -1 1 347.399 2.762 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(OC)cc1 ZINC001259931563 1316299621 /nfs/dbraw/zinc/29/96/21/1316299621.db2.gz QRIDNRKELBNQTO-UHFFFAOYSA-N -1 1 331.393 2.854 20 30 EFEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1 ZINC001260037324 1316309813 /nfs/dbraw/zinc/30/98/13/1316309813.db2.gz JLXLOCZSGNYREF-UHFFFAOYSA-N -1 1 341.314 2.914 20 30 EFEDMM CC(C)(C)n1cc(C#N)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183643 1316320925 /nfs/dbraw/zinc/32/09/25/1316320925.db2.gz YDNZCWTXKXHNNP-UHFFFAOYSA-N -1 1 347.396 2.614 20 30 EFEDMM N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC001260451517 1316339697 /nfs/dbraw/zinc/33/96/97/1316339697.db2.gz MOMWGBBCQOJLSP-UHFFFAOYSA-N -1 1 344.323 2.605 20 30 EFEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1F ZINC001260452424 1316339875 /nfs/dbraw/zinc/33/98/75/1316339875.db2.gz YCBKPZORUYFDDU-UHFFFAOYSA-N -1 1 343.335 2.714 20 30 EFEDMM C#Cc1cc([N-]S(=O)(=O)c2cccc(NC(C)=O)c2)ccc1F ZINC001260810785 1316370311 /nfs/dbraw/zinc/37/03/11/1316370311.db2.gz RRMKXYVSOWJDHZ-UHFFFAOYSA-N -1 1 332.356 2.566 20 30 EFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)c2)c1 ZINC001260811131 1316370668 /nfs/dbraw/zinc/37/06/68/1316370668.db2.gz GBLRVYYOPUGYAJ-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)CC(C)C ZINC001262943400 1316506441 /nfs/dbraw/zinc/50/64/41/1316506441.db2.gz OKGBSXOLNZFKES-UHFFFAOYSA-N -1 1 342.447 2.986 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)CC1CC1 ZINC001262943143 1316506594 /nfs/dbraw/zinc/50/65/94/1316506594.db2.gz HLOIQUARUCKBBZ-UHFFFAOYSA-N -1 1 340.431 2.740 20 30 EFEDMM C=C1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CCOC)CC1 ZINC001263239906 1316523681 /nfs/dbraw/zinc/52/36/81/1316523681.db2.gz YCZYDZVOOFYDSC-UHFFFAOYSA-N -1 1 349.822 2.502 20 30 EFEDMM Cc1cnc(Cl)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001263331622 1316532138 /nfs/dbraw/zinc/53/21/38/1316532138.db2.gz UZBGZHLJKKJGEY-GFCCVEGCSA-N -1 1 329.791 2.851 20 30 EFEDMM COc1cc(C#N)ccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001290782207 1321961457 /nfs/dbraw/zinc/96/14/57/1321961457.db2.gz MJFDRMMLMZQUOH-UHFFFAOYSA-N -1 1 334.335 2.915 20 30 EFEDMM Cc1nc(N2CCCCC2)sc1C=NNc1nc(C)cc(=O)[n-]1 ZINC001317703424 1328309456 /nfs/dbraw/zinc/30/94/56/1328309456.db2.gz IUQLDKWOXGMFKK-UHFFFAOYSA-N -1 1 332.433 2.692 20 30 EFEDMM CC#CC[C@@H](NCc1c(C)nn(-c2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001332032977 1330907495 /nfs/dbraw/zinc/90/74/95/1330907495.db2.gz RTTDCKOQHSUMIE-OAHLLOKOSA-N -1 1 349.793 2.929 20 30 EFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC001335746680 1331396796 /nfs/dbraw/zinc/39/67/96/1331396796.db2.gz KBENEOCXOJJOFG-ZDUSSCGKSA-N -1 1 344.383 2.724 20 30 EFEDMM C=C[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC001338872742 1331750881 /nfs/dbraw/zinc/75/08/81/1331750881.db2.gz NSYZQFFOFHLOQF-ZETCQYMHSA-N -1 1 328.192 2.612 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001338709160 1331728033 /nfs/dbraw/zinc/72/80/33/1331728033.db2.gz LDOGWDYPPWHBGV-RYUDHWBXSA-N -1 1 340.431 2.596 20 30 EFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H](C)[C@H](C)C1 ZINC001339097699 1331790408 /nfs/dbraw/zinc/79/04/08/1331790408.db2.gz SHTGSCRXYAQRTE-PHIMTYICSA-N -1 1 333.823 2.977 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)C[C@H]1C ZINC001339497307 1331881833 /nfs/dbraw/zinc/88/18/33/1331881833.db2.gz KRLFPFSBJHLXKF-NWDGAFQWSA-N -1 1 340.431 2.739 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001343628895 1332364205 /nfs/dbraw/zinc/36/42/05/1332364205.db2.gz QAQYDJGKNIOGKN-CYBMUJFWSA-N -1 1 328.420 2.576 20 30 EFEDMM C=CCN(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@H]1CCOC1 ZINC001345585254 1332551230 /nfs/dbraw/zinc/55/12/30/1332551230.db2.gz SWKABGQTLCNMNE-GFCCVEGCSA-N -1 1 348.834 2.963 20 30 EFEDMM C=CC[C@H](NCc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC001350601738 1333102401 /nfs/dbraw/zinc/10/24/01/1333102401.db2.gz OQIGAOUFPZBDBT-HNNXBMFYSA-N -1 1 348.424 2.850 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001355998292 1334927219 /nfs/dbraw/zinc/92/72/19/1334927219.db2.gz UXEQPPVHJGYVIL-ZDUSSCGKSA-N -1 1 328.420 2.576 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001356452955 1335038239 /nfs/dbraw/zinc/03/82/39/1335038239.db2.gz GBDMRZQIKFIPEZ-JTQLQIEISA-N -1 1 338.362 2.574 20 30 EFEDMM Cn1ccnc1C(C#N)=C([O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC001356578010 1335055703 /nfs/dbraw/zinc/05/57/03/1335055703.db2.gz KAFUUAZZVMCXHL-ZDUSSCGKSA-N -1 1 349.369 2.724 20 30 EFEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001361807665 1336348189 /nfs/dbraw/zinc/34/81/89/1336348189.db2.gz AQFCMDBISMJTQG-UHFFFAOYSA-N -1 1 347.403 2.989 20 30 EFEDMM N#Cc1ccc(N2CCN(C(=O)c3cccc([O-])c3F)CC2)c(F)c1 ZINC001361886952 1336398244 /nfs/dbraw/zinc/39/82/44/1336398244.db2.gz MFDNGCIFPWQYHY-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1c(NC(=O)c2cc([O-])cc(Br)c2)n[nH]c1C1CC1 ZINC001363561982 1336931754 /nfs/dbraw/zinc/93/17/54/1336931754.db2.gz QQKJTZBISBRELC-UHFFFAOYSA-N -1 1 347.172 2.879 20 30 EFEDMM C=C(Cl)CN[C@H](C)c1ccc(CNC(=O)c2[nH]nc(C)c2[O-])cc1 ZINC001402485468 1363730139 /nfs/dbraw/zinc/73/01/39/1363730139.db2.gz BBRITGJVTXKMCW-LLVKDONJSA-N -1 1 348.834 2.757 20 30 EFEDMM C=C(Cl)CNCc1ccc(CNC(=O)c2ncccc2[O-])c(F)c1 ZINC001404026416 1365184655 /nfs/dbraw/zinc/18/46/55/1365184655.db2.gz BDCJYLZQQKVHQB-UHFFFAOYSA-N -1 1 349.793 2.698 20 30 EFEDMM CCOC(=O)[C@@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)CC(C)C ZINC001419960826 1376191434 /nfs/dbraw/zinc/19/14/34/1376191434.db2.gz JMCDAXSIOSHPQW-GOSISDBHSA-N -1 1 332.400 2.609 20 30 EFEDMM N#Cc1cccc([C@H]2CN(C(=O)c3ccc(F)c([O-])c3)CCO2)c1 ZINC001466609563 1396765817 /nfs/dbraw/zinc/76/58/17/1396765817.db2.gz RCSGYGKFRPNIQI-QGZVFWFLSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1cc(NC(=O)CCCc2nn[n-]n2)ccc1Oc1ccccc1 ZINC001467350349 1396845921 /nfs/dbraw/zinc/84/59/21/1396845921.db2.gz QFEXXASNTPAPAJ-UHFFFAOYSA-N -1 1 348.366 2.825 20 30 EFEDMM C=CCN(CC=C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000823903961 1424626713 /nfs/dbraw/zinc/62/67/13/1424626713.db2.gz PCDQRKLXYXRTRT-UHFFFAOYSA-N -1 1 334.221 2.803 20 30 EFEDMM CC[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825039807 1428243687 /nfs/dbraw/zinc/24/36/87/1428243687.db2.gz WLLIBGWUPRIWAP-LBPRGKRZSA-N -1 1 348.366 2.691 20 30 EFEDMM Cc1c(Cl)cnc(NCc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826240143 1428284301 /nfs/dbraw/zinc/28/43/01/1428284301.db2.gz FENUYJNRUWZTBY-UHFFFAOYSA-N -1 1 325.763 2.707 20 30 EFEDMM CC(C)[C@H](C#N)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820016729 1428354228 /nfs/dbraw/zinc/35/42/28/1428354228.db2.gz OZTXUXTVZSTWQR-HNNXBMFYSA-N -1 1 343.387 2.507 20 30 EFEDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C#N)c1F ZINC000825632648 1428669461 /nfs/dbraw/zinc/66/94/61/1428669461.db2.gz YVLBIKCZFLWRDK-UHFFFAOYSA-N -1 1 338.346 2.888 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(C)c1 ZINC000735418589 1428691045 /nfs/dbraw/zinc/69/10/45/1428691045.db2.gz HJKXWARWCGFSHB-UHFFFAOYSA-N -1 1 347.422 2.932 20 30 EFEDMM N#Cc1cccc(-c2c[nH]c(CNc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826386662 1428742956 /nfs/dbraw/zinc/74/29/56/1428742956.db2.gz NSTZFVDPGPIXDB-UHFFFAOYSA-N -1 1 342.366 2.741 20 30 EFEDMM Clc1cc(NN=Cc2cccc3c2OCO3)ccc1-c1nnn[n-]1 ZINC000826351708 1428753267 /nfs/dbraw/zinc/75/32/67/1428753267.db2.gz XHEDWPJCGRXDBC-UHFFFAOYSA-N -1 1 342.746 2.695 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(C#N)c1 ZINC000823958770 1428766215 /nfs/dbraw/zinc/76/62/15/1428766215.db2.gz VQASUSZYEFHHTR-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(C#N)c1 ZINC000823958770 1428766217 /nfs/dbraw/zinc/76/62/17/1428766217.db2.gz VQASUSZYEFHHTR-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM C=CC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819729553 1428788548 /nfs/dbraw/zinc/78/85/48/1428788548.db2.gz IYWOJMNPIFBMOS-LBPRGKRZSA-N -1 1 326.404 2.535 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC1(C)C ZINC000735418102 1428902582 /nfs/dbraw/zinc/90/25/82/1428902582.db2.gz AGXIXAOWRWKQPE-HNNXBMFYSA-N -1 1 340.431 2.610 20 30 EFEDMM N#Cc1ccc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001563131506 1415350440 /nfs/dbraw/zinc/35/04/40/1415350440.db2.gz PDBYCQGXYQNDDG-UHFFFAOYSA-N -1 1 333.351 2.771 20 30 EFEDMM C=CCCCCCN(C)[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735407896 1429055087 /nfs/dbraw/zinc/05/50/87/1429055087.db2.gz AOXCJGMWDFEEEA-AWEZNQCLSA-N -1 1 342.447 2.872 20 30 EFEDMM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(C#N)cc1 ZINC000825379742 1429185475 /nfs/dbraw/zinc/18/54/75/1429185475.db2.gz KHVZQYBICDFWRH-UHFFFAOYSA-N -1 1 332.367 2.714 20 30 EFEDMM Fc1cc2c(c(F)c1)CCC2=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826372926 1429299737 /nfs/dbraw/zinc/29/97/37/1429299737.db2.gz SAVXWDVHTQAUOP-UHFFFAOYSA-N -1 1 326.310 2.907 20 30 EFEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826178310 1429431034 /nfs/dbraw/zinc/43/10/34/1429431034.db2.gz SCNYVPIEPKLEMR-CMDGGOBGSA-N -1 1 335.367 2.783 20 30 EFEDMM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822814565 1429434227 /nfs/dbraw/zinc/43/42/27/1429434227.db2.gz JJPDYLMMRRZAFJ-YVMONPNESA-N -1 1 349.325 2.804 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(OC)c1 ZINC000821769214 1423481218 /nfs/dbraw/zinc/48/12/18/1423481218.db2.gz FMRVBEPHUKEWDQ-XQRVVYSFSA-N -1 1 342.380 2.842 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cnn(-c2ccccc2)c1 ZINC000826401611 1423778356 /nfs/dbraw/zinc/77/83/56/1423778356.db2.gz CKOOEBOBEBQCRY-ZHACJKMWSA-N -1 1 342.362 2.949 20 30 EFEDMM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1 ZINC000820508623 1423846122 /nfs/dbraw/zinc/84/61/22/1423846122.db2.gz TYEMAARCXOYPJL-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM N#Cc1cc(F)ccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737705814 1423902459 /nfs/dbraw/zinc/90/24/59/1423902459.db2.gz RGYPBZXWQULCQH-SOFGYWHQSA-N -1 1 349.325 2.634 20 30 EFEDMM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C(C)C ZINC000735417030 1424582400 /nfs/dbraw/zinc/58/24/00/1424582400.db2.gz XKLZDWCLQOZIBR-UHFFFAOYSA-N -1 1 331.424 2.852 20 30 EFEDMM C=CCCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735416969 1429738651 /nfs/dbraw/zinc/73/86/51/1429738651.db2.gz VMDDWBLZSSGBAU-UHFFFAOYSA-N -1 1 340.339 2.772 20 30 EFEDMM C#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735376086 1424649854 /nfs/dbraw/zinc/64/98/54/1424649854.db2.gz XAVMWEHSZZNHBB-UHFFFAOYSA-N -1 1 348.366 2.804 20 30 EFEDMM O=C(OCC#Cc1cccc(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000823396403 1424784324 /nfs/dbraw/zinc/78/43/24/1424784324.db2.gz IKVPEKMRSMKZGW-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM C#CCOc1cccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735388286 1424824798 /nfs/dbraw/zinc/82/47/98/1424824798.db2.gz WSQPIJJIJLRGDB-UHFFFAOYSA-N -1 1 337.295 2.579 20 30 EFEDMM N#Cc1csc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826387768 1424847385 /nfs/dbraw/zinc/84/73/85/1424847385.db2.gz QAEGVGMHJGSKQU-UHFFFAOYSA-N -1 1 329.776 2.899 20 30 EFEDMM C#CC[C@@H](NCc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000823837511 1424906732 /nfs/dbraw/zinc/90/67/32/1424906732.db2.gz DGHQSGDYAFXIPO-QGZVFWFLSA-N -1 1 333.395 2.730 20 30 EFEDMM C#CC[C@@H](NCc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000823837511 1424906735 /nfs/dbraw/zinc/90/67/35/1424906735.db2.gz DGHQSGDYAFXIPO-QGZVFWFLSA-N -1 1 333.395 2.730 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2sccc2-c2nn[n-]n2)c1C#N ZINC000736679218 1424930639 /nfs/dbraw/zinc/93/06/39/1424930639.db2.gz OQSFMYHEUZDKBB-UHFFFAOYSA-N -1 1 344.425 2.985 20 30 EFEDMM N#Cc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716198 1424934866 /nfs/dbraw/zinc/93/48/66/1424934866.db2.gz MCPMYEIZEILRGQ-CYBMUJFWSA-N -1 1 344.378 2.797 20 30 EFEDMM Cc1c(C#N)cccc1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822015953 1425005384 /nfs/dbraw/zinc/00/53/84/1425005384.db2.gz RCBTZAVWSCPNBZ-UHFFFAOYSA-N -1 1 335.396 2.856 20 30 EFEDMM C#CCOc1ccccc1CN(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000823861241 1425019421 /nfs/dbraw/zinc/01/94/21/1425019421.db2.gz AQLUPPIOBMTMKK-UHFFFAOYSA-N -1 1 339.424 2.572 20 30 EFEDMM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400959 1425040364 /nfs/dbraw/zinc/04/03/64/1425040364.db2.gz LYYLDXRHWBTWMO-ORCRQEGFSA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826400714 1425115520 /nfs/dbraw/zinc/11/55/20/1425115520.db2.gz GDPKJXJVWPYBDR-ALCCZGGFSA-N -1 1 339.286 2.810 20 30 EFEDMM Cc1c(C#N)cccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822015323 1425187313 /nfs/dbraw/zinc/18/73/13/1425187313.db2.gz ILEBLGBORJSUHQ-LBPRGKRZSA-N -1 1 347.382 2.930 20 30 EFEDMM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735446606 1425278578 /nfs/dbraw/zinc/27/85/78/1425278578.db2.gz BOKWKCHWXFNEHN-DHZHZOJOSA-N -1 1 348.341 2.919 20 30 EFEDMM C=CCc1cc(OCC)ccc1OC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000823937177 1425331705 /nfs/dbraw/zinc/33/17/05/1425331705.db2.gz LCZDJXYOXPGMCB-UHFFFAOYSA-N -1 1 339.355 2.541 20 30 EFEDMM Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)ccc1F ZINC000737263853 1425395177 /nfs/dbraw/zinc/39/51/77/1425395177.db2.gz WLYVDSQBTGLKDV-UHFFFAOYSA-N -1 1 343.366 2.947 20 30 EFEDMM C[C@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735503223 1425429972 /nfs/dbraw/zinc/42/99/72/1425429972.db2.gz JKTMDZAHZYQLQP-LLVKDONJSA-N -1 1 335.323 2.728 20 30 EFEDMM C[C@H](Nc1ccc(Cl)c(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455340 1425455030 /nfs/dbraw/zinc/45/50/30/1425455030.db2.gz HIHXEICATDRHOT-VIFPVBQESA-N -1 1 325.763 2.960 20 30 EFEDMM CCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000736615718 1425512175 /nfs/dbraw/zinc/51/21/75/1425512175.db2.gz LHAPAANHHYAJHL-JTQLQIEISA-N -1 1 333.396 2.581 20 30 EFEDMM C[C@@H](C#N)CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CC1 ZINC000824034459 1425545348 /nfs/dbraw/zinc/54/53/48/1425545348.db2.gz KEAGOZIUCPNSBM-JTQLQIEISA-N -1 1 348.357 2.592 20 30 EFEDMM C#CCOc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381763 1425627746 /nfs/dbraw/zinc/62/77/46/1425627746.db2.gz ZMTAYMZGQFWLPR-ZHACJKMWSA-N -1 1 345.362 2.531 20 30 EFEDMM O=[N+]([O-])c1cccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000823647269 1425635640 /nfs/dbraw/zinc/63/56/40/1425635640.db2.gz JKPHEIHNTFPNQY-UHFFFAOYSA-N -1 1 348.326 2.702 20 30 EFEDMM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)s3)nc21 ZINC000822333134 1425642166 /nfs/dbraw/zinc/64/21/66/1425642166.db2.gz YAPSMRDZRKXWHR-SECBINFHSA-N -1 1 349.379 2.603 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)s3)[nH]c21 ZINC000822333134 1425642169 /nfs/dbraw/zinc/64/21/69/1425642169.db2.gz YAPSMRDZRKXWHR-SECBINFHSA-N -1 1 349.379 2.603 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)s3)[nH]c21 ZINC000822333134 1425642176 /nfs/dbraw/zinc/64/21/76/1425642176.db2.gz YAPSMRDZRKXWHR-SECBINFHSA-N -1 1 349.379 2.603 20 30 EFEDMM CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820198439 1425833758 /nfs/dbraw/zinc/83/37/58/1425833758.db2.gz VVGBSCJVVPMNNT-MRVPVSSYSA-N -1 1 344.425 2.998 20 30 EFEDMM N#Cc1cccc(OCCCSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000822837332 1425904476 /nfs/dbraw/zinc/90/44/76/1425904476.db2.gz KDYHRAJUTROYMP-UHFFFAOYSA-N -1 1 338.396 2.695 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000821849961 1425930958 /nfs/dbraw/zinc/93/09/58/1425930958.db2.gz UHHJYHAXRYQPAK-WTKPLQERSA-N -1 1 340.364 2.596 20 30 EFEDMM CCC1(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCOCC1 ZINC000825164721 1426091316 /nfs/dbraw/zinc/09/13/16/1426091316.db2.gz HQJBJXSJQFAKCG-UHFFFAOYSA-N -1 1 347.423 2.757 20 30 EFEDMM c1[nH]c(-c2ccccc2)nc1CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735397385 1426212674 /nfs/dbraw/zinc/21/26/74/1426212674.db2.gz BNIOYEMBCKZVAO-UHFFFAOYSA-N -1 1 330.355 2.703 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819729834 1426269654 /nfs/dbraw/zinc/26/96/54/1426269654.db2.gz NKKZBDCHFALBJS-CYBMUJFWSA-N -1 1 349.394 2.750 20 30 EFEDMM O=C1C(=Cc2cccc3c2OCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503556 1426279986 /nfs/dbraw/zinc/27/99/86/1426279986.db2.gz GXAHDXIQSJMMAZ-FMIVXFBMSA-N -1 1 346.346 2.808 20 30 EFEDMM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000824783266 1426378811 /nfs/dbraw/zinc/37/88/11/1426378811.db2.gz FDQPJTUPVDZRSD-GXFFZTMASA-N -1 1 332.795 2.733 20 30 EFEDMM Clc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826352543 1426643105 /nfs/dbraw/zinc/64/31/05/1426643105.db2.gz FPUSRIMGLDASPC-UHFFFAOYSA-N -1 1 338.802 2.960 20 30 EFEDMM C[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736136870 1426654001 /nfs/dbraw/zinc/65/40/01/1426654001.db2.gz HWWXRXTUZQBXML-LLVKDONJSA-N -1 1 342.366 2.855 20 30 EFEDMM N#Cc1ccc(NC(=O)c2sccc2C2CC2)cc1-c1nnn[n-]1 ZINC000737719363 1426678895 /nfs/dbraw/zinc/67/88/95/1426678895.db2.gz PKBHOONWZCFEME-UHFFFAOYSA-N -1 1 336.380 2.930 20 30 EFEDMM C#CC[C@H](NCc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000823837510 1426761941 /nfs/dbraw/zinc/76/19/41/1426761941.db2.gz DGHQSGDYAFXIPO-KRWDZBQOSA-N -1 1 333.395 2.730 20 30 EFEDMM C#CC[C@H](NCc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000823837510 1426761945 /nfs/dbraw/zinc/76/19/45/1426761945.db2.gz DGHQSGDYAFXIPO-KRWDZBQOSA-N -1 1 333.395 2.730 20 30 EFEDMM C=C[C@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823882732 1426825419 /nfs/dbraw/zinc/82/54/19/1426825419.db2.gz CFJNGFRNNXRMCW-LBPRGKRZSA-N -1 1 335.367 2.963 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821668693 1426869855 /nfs/dbraw/zinc/86/98/55/1426869855.db2.gz DUOMZKGLKFFRGO-VOTSOKGWSA-N -1 1 340.364 2.611 20 30 EFEDMM C=CCOc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819758804 1426919649 /nfs/dbraw/zinc/91/96/49/1426919649.db2.gz HOOVULTVEGWGAR-UHFFFAOYSA-N -1 1 340.314 2.790 20 30 EFEDMM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735446617 1426927965 /nfs/dbraw/zinc/92/79/65/1426927965.db2.gz BXYDOLMNIVZYKE-FMIVXFBMSA-N -1 1 330.351 2.780 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823894248 1426934988 /nfs/dbraw/zinc/93/49/88/1426934988.db2.gz LJVBTIZBAXGSHC-NSHDSACASA-N -1 1 332.383 2.550 20 30 EFEDMM C#CCOc1cccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000735387942 1426953370 /nfs/dbraw/zinc/95/33/70/1426953370.db2.gz LUQSSNQZMKQYHH-UHFFFAOYSA-N -1 1 327.731 2.719 20 30 EFEDMM N#Cc1cc(NC(=O)c2cccc3cccnc32)ccc1-c1nn[n-]n1 ZINC000737709890 1427002054 /nfs/dbraw/zinc/00/20/54/1427002054.db2.gz RTKMBHRAILOUBV-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821669100 1427086924 /nfs/dbraw/zinc/08/69/24/1427086924.db2.gz XRTYWAPVIMEFQR-VURMDHGXSA-N -1 1 340.364 2.611 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823893869 1427095783 /nfs/dbraw/zinc/09/57/83/1427095783.db2.gz AFNIVFNOIWQCBZ-NSHDSACASA-N -1 1 332.383 2.550 20 30 EFEDMM COc1ccc(O)c(C=Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821837705 1427175474 /nfs/dbraw/zinc/17/54/74/1427175474.db2.gz GDBHJAPPUMQQPQ-UHFFFAOYSA-N -1 1 329.747 2.985 20 30 EFEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819740406 1427205052 /nfs/dbraw/zinc/20/50/52/1427205052.db2.gz ZDZDKJZIOIKGTQ-LBPRGKRZSA-N -1 1 345.403 2.574 20 30 EFEDMM Fc1cccc(C=NOCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822787368 1427243270 /nfs/dbraw/zinc/24/32/70/1427243270.db2.gz ZYBFWCWQCOXGAO-UHFFFAOYSA-N -1 1 341.346 2.825 20 30 EFEDMM CCOc1ccc(O)c(C=NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821421775 1427264154 /nfs/dbraw/zinc/26/41/54/1427264154.db2.gz FGYOKNQEDZVAFY-VXLYETTFSA-N -1 1 341.346 2.729 20 30 EFEDMM Cc1ccncc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000823963210 1427274281 /nfs/dbraw/zinc/27/42/81/1427274281.db2.gz XRVKLADIAJGCGA-UHFFFAOYSA-N -1 1 326.364 2.518 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000826251058 1427382724 /nfs/dbraw/zinc/38/27/24/1427382724.db2.gz DEJXQYKUVFUQFJ-HNNXBMFYSA-N -1 1 325.372 2.804 20 30 EFEDMM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826498487 1427462169 /nfs/dbraw/zinc/46/21/69/1427462169.db2.gz XBYSHIDOSFPFHV-UHFFFAOYSA-N -1 1 343.734 2.874 20 30 EFEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1coc(-c2ccccc2)n1 ZINC000823861907 1427479942 /nfs/dbraw/zinc/47/99/42/1427479942.db2.gz SRFTXWYPTLYCJV-UHFFFAOYSA-N -1 1 331.339 2.968 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000735418184 1427589939 /nfs/dbraw/zinc/58/99/39/1427589939.db2.gz CUVFFLPGADPYAM-XJKSGUPXSA-N -1 1 340.431 2.753 20 30 EFEDMM Cc1cccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000822304137 1427591357 /nfs/dbraw/zinc/59/13/57/1427591357.db2.gz QLYWNNUXCRJSBH-UHFFFAOYSA-N -1 1 331.383 2.780 20 30 EFEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824034133 1427603343 /nfs/dbraw/zinc/60/33/43/1427603343.db2.gz HICJOUPWIHJDQK-NSHDSACASA-N -1 1 349.354 2.802 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000826256981 1427607194 /nfs/dbraw/zinc/60/71/94/1427607194.db2.gz IYATVAWOERTZSG-UHFFFAOYSA-N -1 1 337.314 2.543 20 30 EFEDMM C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495237 1427618198 /nfs/dbraw/zinc/61/81/98/1427618198.db2.gz FBEOPLYBVRCGTP-ZDUSSCGKSA-N -1 1 347.378 2.975 20 30 EFEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000822218167 1427629895 /nfs/dbraw/zinc/62/98/95/1427629895.db2.gz YZAYQDYZLOKLQJ-LBPRGKRZSA-N -1 1 347.382 2.930 20 30 EFEDMM N#Cc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000822837893 1427634749 /nfs/dbraw/zinc/63/47/49/1427634749.db2.gz XMBPXCWAECRFPB-UHFFFAOYSA-N -1 1 338.758 2.573 20 30 EFEDMM COc1ccc(CN(CCC#N)CCC(C)C)cc1-c1nnn[n-]1 ZINC000826193990 1427754121 /nfs/dbraw/zinc/75/41/21/1427754121.db2.gz WPHCDQBDUCKPPC-UHFFFAOYSA-N -1 1 328.420 2.637 20 30 EFEDMM COc1ccc(O)cc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826210387 1427842062 /nfs/dbraw/zinc/84/20/62/1427842062.db2.gz PIGQKMNCLYJIPB-ONEGZZNKSA-N -1 1 328.353 2.539 20 30 EFEDMM FC(F)(F)c1csc(N=NCc2ccccc2-c2nnn[n-]2)n1 ZINC000826369164 1427982500 /nfs/dbraw/zinc/98/25/00/1427982500.db2.gz PTSIVQVLYVGTEY-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000737673528 1428035321 /nfs/dbraw/zinc/03/53/21/1428035321.db2.gz BBWXGTQSCUIWRE-LLVKDONJSA-N -1 1 344.787 2.576 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cncc3ccccc32)o1 ZINC000820203295 1428061653 /nfs/dbraw/zinc/06/16/53/1428061653.db2.gz RGUGYFDEDLXJLL-UHFFFAOYSA-N -1 1 348.370 2.972 20 30 EFEDMM C=CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735437087 1428084434 /nfs/dbraw/zinc/08/44/34/1428084434.db2.gz DLOQXIQFJSHMSO-UHFFFAOYSA-N -1 1 346.350 2.555 20 30 EFEDMM Cc1cc(O)cc2c1C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)O2 ZINC000822210917 1428112039 /nfs/dbraw/zinc/11/20/39/1428112039.db2.gz WKMPICMOLKITAV-LFYBBSHMSA-N -1 1 326.337 2.558 20 30 EFEDMM Cc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2 ZINC000737371655 1428149024 /nfs/dbraw/zinc/14/90/24/1428149024.db2.gz HIJJBWINJKSMTN-RIYZIHGNSA-N -1 1 342.362 2.645 20 30 EFEDMM C#CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000823839041 1428184973 /nfs/dbraw/zinc/18/49/73/1428184973.db2.gz YXZHYHKSSJIPCU-QGZVFWFLSA-N -1 1 331.379 2.670 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894932 1429790183 /nfs/dbraw/zinc/79/01/83/1429790183.db2.gz ZTEUUVIINWJLIO-OLZOCXBDSA-N -1 1 328.420 2.972 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC#Cc1ccc(F)cc1 ZINC000826251123 1429797317 /nfs/dbraw/zinc/79/73/17/1429797317.db2.gz FXOHGAAYTXWKCU-UHFFFAOYSA-N -1 1 336.326 2.523 20 30 EFEDMM C[C@@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824778463 1429876317 /nfs/dbraw/zinc/87/63/17/1429876317.db2.gz PNXRZGXAMMNZBN-AWEZNQCLSA-N -1 1 347.220 2.759 20 30 EFEDMM C#CCOc1ccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823856795 1429902993 /nfs/dbraw/zinc/90/29/93/1429902993.db2.gz YJACXHFQMIXPAE-UHFFFAOYSA-N -1 1 333.395 2.511 20 30 EFEDMM C[C@@H](CC#N)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735974162 1430080195 /nfs/dbraw/zinc/08/01/95/1430080195.db2.gz JSPHPAUJYYWCHO-LBPRGKRZSA-N -1 1 333.351 2.993 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)C(C)C ZINC000735421430 1430080315 /nfs/dbraw/zinc/08/03/15/1430080315.db2.gz ZJTJKYVFBIVHFM-CQSZACIVSA-N -1 1 342.447 2.856 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000826191123 1430085483 /nfs/dbraw/zinc/08/54/83/1430085483.db2.gz XTALKFODKFPLOR-XQRVVYSFSA-N -1 1 342.380 2.842 20 30 EFEDMM COc1cccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826214235 1430184113 /nfs/dbraw/zinc/18/41/13/1430184113.db2.gz FQISFMNYKWADIZ-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM COc1cccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826214235 1430184117 /nfs/dbraw/zinc/18/41/17/1430184117.db2.gz FQISFMNYKWADIZ-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM COc1cccc(C(C)=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826214235 1430184121 /nfs/dbraw/zinc/18/41/21/1430184121.db2.gz FQISFMNYKWADIZ-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM N#CCn1c(C(=O)Nc2sccc2-c2nn[n-]n2)cc2ccccc21 ZINC000737698412 1430227734 /nfs/dbraw/zinc/22/77/34/1430227734.db2.gz YAUNKOUIIPRBTP-UHFFFAOYSA-N -1 1 349.379 2.659 20 30 EFEDMM COc1ccc(C=CC(=O)c2scnc2C)cc1-c1nnn[n-]1 ZINC000737082521 1430236058 /nfs/dbraw/zinc/23/60/58/1430236058.db2.gz WPTJJZNWXFRELN-HWKANZROSA-N -1 1 327.369 2.536 20 30 EFEDMM C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824730941 1441449891 /nfs/dbraw/zinc/44/98/91/1441449891.db2.gz RHWYEUYEJQEOKL-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155037 1441473719 /nfs/dbraw/zinc/47/37/19/1441473719.db2.gz GCQZBAQIJWJUPB-LBPRGKRZSA-N -1 1 333.351 2.585 20 30 EFEDMM CC(=O)Nc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823999874 1441475919 /nfs/dbraw/zinc/47/59/19/1441475919.db2.gz KZDVNCKNRANANK-UHFFFAOYSA-N -1 1 335.371 2.661 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822923084 1441477996 /nfs/dbraw/zinc/47/79/96/1441477996.db2.gz NRRNPAWXXNCBJT-SNAWJCMRSA-N -1 1 328.278 2.747 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822923084 1441477999 /nfs/dbraw/zinc/47/79/99/1441477999.db2.gz NRRNPAWXXNCBJT-SNAWJCMRSA-N -1 1 328.278 2.747 20 30 EFEDMM CN(C)c1cc(F)ccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000821588563 1441481399 /nfs/dbraw/zinc/48/13/99/1441481399.db2.gz YPDLUIYBSZIIFY-RMKNXTFCSA-N -1 1 337.358 2.968 20 30 EFEDMM C[C@H](OC(=O)c1sccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824731765 1441590759 /nfs/dbraw/zinc/59/07/59/1441590759.db2.gz YIGDNBGPPAOODX-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM N#C[C@H](C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2n1 ZINC000822801171 1441663527 /nfs/dbraw/zinc/66/35/27/1441663527.db2.gz FSEJVEIBBKFCLJ-NSHDSACASA-N -1 1 346.375 2.966 20 30 EFEDMM N#Cc1ccsc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737728638 1441694096 /nfs/dbraw/zinc/69/40/96/1441694096.db2.gz SKBUKLYOEUYGCE-UHFFFAOYSA-N -1 1 342.409 2.531 20 30 EFEDMM Cc1c2c(nc(SCc3ccnc(-c4nnn[n-]4)c3)c1C#N)CCC2 ZINC000826234467 1441703497 /nfs/dbraw/zinc/70/34/97/1441703497.db2.gz XWIUMCWCDKMDCJ-UHFFFAOYSA-N -1 1 349.423 2.618 20 30 EFEDMM Cc1cccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737381619 1441711281 /nfs/dbraw/zinc/71/12/81/1441711281.db2.gz LPHNJVYLZBZLFX-VOTSOKGWSA-N -1 1 330.351 2.719 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000826187212 1441758460 /nfs/dbraw/zinc/75/84/60/1441758460.db2.gz GDZPLHSERJMMIX-XVNBXDOJSA-N -1 1 340.314 2.616 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000826187212 1441758463 /nfs/dbraw/zinc/75/84/63/1441758463.db2.gz GDZPLHSERJMMIX-XVNBXDOJSA-N -1 1 340.314 2.616 20 30 EFEDMM C[C@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000824778464 1441799680 /nfs/dbraw/zinc/79/96/80/1441799680.db2.gz PNXRZGXAMMNZBN-CQSZACIVSA-N -1 1 347.220 2.759 20 30 EFEDMM C=CC1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402529 1441877458 /nfs/dbraw/zinc/87/74/58/1441877458.db2.gz DYASZXYAIIMXQQ-GFCCVEGCSA-N -1 1 326.404 2.535 20 30 EFEDMM COc1cc(C(C)=NNc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826177390 1441888903 /nfs/dbraw/zinc/88/89/03/1441888903.db2.gz GIESMSAFGMBLST-UHFFFAOYSA-N -1 1 326.335 2.851 20 30 EFEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1cccc(Cl)c1 ZINC000822740374 1441905453 /nfs/dbraw/zinc/90/54/53/1441905453.db2.gz IRMLQMPGIHCOFE-UHFFFAOYSA-N -1 1 330.754 2.783 20 30 EFEDMM Cc1cc(N)cc(C)c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826269557 1441914973 /nfs/dbraw/zinc/91/49/73/1441914973.db2.gz PLGMCHRVYFGTPK-UHFFFAOYSA-N -1 1 342.794 2.560 20 30 EFEDMM COc1ccc(C=NNc2cc(F)c(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000821787711 1441985827 /nfs/dbraw/zinc/98/58/27/1441985827.db2.gz YIWYOKCRXUIHHG-UHFFFAOYSA-N -1 1 348.288 2.739 20 30 EFEDMM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc2cccnc12 ZINC000826266602 1442025871 /nfs/dbraw/zinc/02/58/71/1442025871.db2.gz VFMZTKODIFKFPS-UHFFFAOYSA-N -1 1 343.394 2.847 20 30 EFEDMM C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735503985 1442050636 /nfs/dbraw/zinc/05/06/36/1442050636.db2.gz LKHKYEXSWWDYJR-LJQANCHMSA-N -1 1 346.394 2.512 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400284 1442064092 /nfs/dbraw/zinc/06/40/92/1442064092.db2.gz UXAMNBUZOWAJRJ-OWOJBTEDSA-N -1 1 334.307 2.808 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400284 1442064094 /nfs/dbraw/zinc/06/40/94/1442064094.db2.gz UXAMNBUZOWAJRJ-OWOJBTEDSA-N -1 1 334.307 2.808 20 30 EFEDMM Fc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000826376357 1442161772 /nfs/dbraw/zinc/16/17/72/1442161772.db2.gz ZSZFILDDNIZXGZ-UHFFFAOYSA-N -1 1 336.374 2.836 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC000736309212 1442237899 /nfs/dbraw/zinc/23/78/99/1442237899.db2.gz MEHOTNRGZHRLLS-CYBMUJFWSA-N -1 1 335.371 2.555 20 30 EFEDMM COc1ccc(C=NNc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737081743 1442242124 /nfs/dbraw/zinc/24/21/24/1442242124.db2.gz AULXXDBSWKCSSK-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c(C#N)c2n1CCC2 ZINC000737201695 1442248164 /nfs/dbraw/zinc/24/81/64/1442248164.db2.gz HHDBJAKOEHRQAQ-RMKNXTFCSA-N -1 1 344.378 2.691 20 30 EFEDMM N#CC1(c2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826380552 1442374663 /nfs/dbraw/zinc/37/46/63/1442374663.db2.gz DUGAIHLQRRDPPM-UHFFFAOYSA-N -1 1 331.335 2.641 20 30 EFEDMM CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820197187 1442387547 /nfs/dbraw/zinc/38/75/47/1442387547.db2.gz HBGHVCXODZIHMJ-LBPRGKRZSA-N -1 1 338.396 2.937 20 30 EFEDMM N#Cc1cc(Cl)ccc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826383527 1442402923 /nfs/dbraw/zinc/40/29/23/1442402923.db2.gz FKTWFRBRMAOAHS-UHFFFAOYSA-N -1 1 339.742 2.749 20 30 EFEDMM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826210176 1442406003 /nfs/dbraw/zinc/40/60/03/1442406003.db2.gz IBMPTQOQLHBDJH-HYXAFXHYSA-N -1 1 328.353 2.539 20 30 EFEDMM N#Cc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1F ZINC000737711080 1442407046 /nfs/dbraw/zinc/40/70/46/1442407046.db2.gz YIKSBTQWCVMXJJ-UHFFFAOYSA-N -1 1 339.359 2.686 20 30 EFEDMM Cc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2 ZINC000737371656 1442412906 /nfs/dbraw/zinc/41/29/06/1442412906.db2.gz HIJJBWINJKSMTN-ZSOIEALJSA-N -1 1 342.362 2.645 20 30 EFEDMM COc1cc(C)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826177910 1442414040 /nfs/dbraw/zinc/41/40/40/1442414040.db2.gz APBORAHLCKCTGR-FPLPWBNLSA-N -1 1 335.367 2.783 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000826401011 1442439698 /nfs/dbraw/zinc/43/96/98/1442439698.db2.gz NBJRSDGFOLEZBP-FNORWQNLSA-N -1 1 339.286 2.810 20 30 EFEDMM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735505710 1442477589 /nfs/dbraw/zinc/47/75/89/1442477589.db2.gz VMZZTBSGULLFPP-LLVKDONJSA-N -1 1 334.339 2.757 20 30 EFEDMM C[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034940 1443225291 /nfs/dbraw/zinc/22/52/91/1443225291.db2.gz QMVZRUNLKPSDHF-QWHCGFSZSA-N -1 1 346.394 2.871 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C)cc2O)cc1-c1nn[n-]n1 ZINC000821786590 1443345332 /nfs/dbraw/zinc/34/53/32/1443345332.db2.gz FXLSJOPPCBKHHK-QPJJXVBHSA-N -1 1 336.351 2.785 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C)cc2O)cc1-c1nnn[n-]1 ZINC000821786590 1443345334 /nfs/dbraw/zinc/34/53/34/1443345334.db2.gz FXLSJOPPCBKHHK-QPJJXVBHSA-N -1 1 336.351 2.785 20 30 EFEDMM O=[N+]([O-])c1ccc2[nH]cc(C=NNc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826499417 1443386604 /nfs/dbraw/zinc/38/66/04/1443386604.db2.gz HYCBBGVMGYJABJ-UHFFFAOYSA-N -1 1 348.326 2.702 20 30 EFEDMM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC000822801948 1443479116 /nfs/dbraw/zinc/47/91/16/1443479116.db2.gz RZRVITIMCHMRDB-LLVKDONJSA-N -1 1 344.787 2.576 20 30 EFEDMM N#Cc1ccnc(SCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822842557 1443488731 /nfs/dbraw/zinc/48/87/31/1443488731.db2.gz OBDHFXDRYXIGGP-UHFFFAOYSA-N -1 1 338.396 2.695 20 30 EFEDMM C=CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000819730423 1443526441 /nfs/dbraw/zinc/52/64/41/1443526441.db2.gz ZHYLUMNNYYKFHX-UHFFFAOYSA-N -1 1 332.795 2.950 20 30 EFEDMM C[C@H]1CCC[C@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000824929732 1443532589 /nfs/dbraw/zinc/53/25/89/1443532589.db2.gz YFXBVRALRFVCEY-UWVGGRQHSA-N -1 1 329.433 2.634 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822837884 1443683598 /nfs/dbraw/zinc/68/35/98/1443683598.db2.gz WRVOEPLGRHOIKP-YVMONPNESA-N -1 1 334.314 2.529 20 30 EFEDMM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820054534 1443745928 /nfs/dbraw/zinc/74/59/28/1443745928.db2.gz AVLZWGOFTFTVTD-GFCCVEGCSA-N -1 1 342.403 2.518 20 30 EFEDMM CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820198217 1443767145 /nfs/dbraw/zinc/76/71/45/1443767145.db2.gz SWONQKZXRTZDAG-GFCCVEGCSA-N -1 1 338.396 2.937 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400640 1443863922 /nfs/dbraw/zinc/86/39/22/1443863922.db2.gz DGSTZEVPQWFZOL-DUXPYHPUSA-N -1 1 345.315 2.872 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C)nc1 ZINC000819745426 1443887194 /nfs/dbraw/zinc/88/71/94/1443887194.db2.gz CERLPTFQDSUKKN-UHFFFAOYSA-N -1 1 349.398 2.790 20 30 EFEDMM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451206 1443891667 /nfs/dbraw/zinc/89/16/67/1443891667.db2.gz TUCVAHWCVYTMEU-UHFFFAOYSA-N -1 1 337.343 2.919 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCCCCCOc2ccccc2)o1 ZINC000822422826 1443945259 /nfs/dbraw/zinc/94/52/59/1443945259.db2.gz DFNLWDABPAFZNS-UHFFFAOYSA-N -1 1 341.375 2.810 20 30 EFEDMM C=CCC(CC=C)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819734865 1443980826 /nfs/dbraw/zinc/98/08/26/1443980826.db2.gz VWDVKCLAWPUNQH-UHFFFAOYSA-N -1 1 328.372 2.557 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccccc1F ZINC000826172978 1443986422 /nfs/dbraw/zinc/98/64/22/1443986422.db2.gz HBCUBOIYHHTXEM-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM N#Cc1cccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826386903 1444023310 /nfs/dbraw/zinc/02/33/10/1444023310.db2.gz XTPWEPVCJMJCLX-HJWRWDBZSA-N -1 1 349.325 2.634 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826384187 1446180603 /nfs/dbraw/zinc/18/06/03/1446180603.db2.gz KMTWEJJRSCJUEZ-XQRVVYSFSA-N -1 1 337.289 2.913 20 30 EFEDMM CN(Cc1cccc(C#N)c1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736821383 1446256857 /nfs/dbraw/zinc/25/68/57/1446256857.db2.gz FBXPMLBNKCUFGN-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM C#CCOc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000819709829 1446402534 /nfs/dbraw/zinc/40/25/34/1446402534.db2.gz QWJUVULZUBBMLZ-UHFFFAOYSA-N -1 1 329.360 2.691 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737727253 1446537381 /nfs/dbraw/zinc/53/73/81/1446537381.db2.gz HYPYMVHUMDHTSX-VURMDHGXSA-N -1 1 349.325 2.634 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CO2 ZINC000826212599 1446584543 /nfs/dbraw/zinc/58/45/43/1446584543.db2.gz VLAKWCIZFRFAAV-XYOKQWHBSA-N -1 1 334.335 2.534 20 30 EFEDMM C#Cc1ccccc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823861981 1446674455 /nfs/dbraw/zinc/67/44/55/1446674455.db2.gz WBWMVVVGGIBJIK-UHFFFAOYSA-N -1 1 337.774 2.733 20 30 EFEDMM C#Cc1ccccc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823861981 1446674464 /nfs/dbraw/zinc/67/44/64/1446674464.db2.gz WBWMVVVGGIBJIK-UHFFFAOYSA-N -1 1 337.774 2.733 20 30 EFEDMM C#Cc1ccccc1C(C)=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823861981 1446674474 /nfs/dbraw/zinc/67/44/74/1446674474.db2.gz WBWMVVVGGIBJIK-UHFFFAOYSA-N -1 1 337.774 2.733 20 30 EFEDMM C=CCCOCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000823899390 1446705124 /nfs/dbraw/zinc/70/51/24/1446705124.db2.gz VGONHUYAZAZQEM-UHFFFAOYSA-N -1 1 335.433 2.757 20 30 EFEDMM CCNc1ccc(-c2nnn[n-]2)cc1NCCOc1ccc(C#N)cc1 ZINC000821310091 1446705599 /nfs/dbraw/zinc/70/55/99/1446705599.db2.gz WNMGZGVFVDHFRR-UHFFFAOYSA-N -1 1 349.398 2.661 20 30 EFEDMM C#CCOc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735388326 1446747575 /nfs/dbraw/zinc/74/75/75/1446747575.db2.gz YTCWWTOIRQKHGG-UHFFFAOYSA-N -1 1 340.774 2.539 20 30 EFEDMM CN(Cc1ccc(C#N)cc1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821609756 1446781178 /nfs/dbraw/zinc/78/11/78/1446781178.db2.gz KPFBAMGTCLKAKR-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826176796 1446789734 /nfs/dbraw/zinc/78/97/34/1446789734.db2.gz DSBDGLYKAWYLBV-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826176796 1446789739 /nfs/dbraw/zinc/78/97/39/1446789739.db2.gz DSBDGLYKAWYLBV-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM CC(=NOCC(C)C)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000823962548 1446893239 /nfs/dbraw/zinc/89/32/39/1446893239.db2.gz LHKKHMMVRHAETQ-UHFFFAOYSA-N -1 1 339.403 2.757 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821770443 1446935709 /nfs/dbraw/zinc/93/57/09/1446935709.db2.gz UEYRVGPENPXZQG-HYXAFXHYSA-N -1 1 330.344 2.972 20 30 EFEDMM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000823963241 1447011039 /nfs/dbraw/zinc/01/10/39/1447011039.db2.gz ZCJUXBZACVSWRI-UHFFFAOYSA-N -1 1 341.306 2.750 20 30 EFEDMM N#CCCCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000737686834 1447081458 /nfs/dbraw/zinc/08/14/58/1447081458.db2.gz DYMJGZLEQQSXTE-UHFFFAOYSA-N -1 1 345.769 2.735 20 30 EFEDMM CCc1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000736688863 1447096813 /nfs/dbraw/zinc/09/68/13/1447096813.db2.gz HGPCAPJJFTXTKG-UHFFFAOYSA-N -1 1 337.412 2.570 20 30 EFEDMM C#CCCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000819693041 1447171929 /nfs/dbraw/zinc/17/19/29/1447171929.db2.gz MFYRJJILICKENE-UHFFFAOYSA-N -1 1 328.326 2.909 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821668949 1447248693 /nfs/dbraw/zinc/24/86/93/1447248693.db2.gz RJSYGMGKOXQSFG-YHYXMXQVSA-N -1 1 334.335 2.549 20 30 EFEDMM CCN(C[C@H](C)C#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736513546 1447297229 /nfs/dbraw/zinc/29/72/29/1447297229.db2.gz PZSORKZSZSXWNQ-SECBINFHSA-N -1 1 349.851 2.698 20 30 EFEDMM C#C[C@H](C)OC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819688658 1447328480 /nfs/dbraw/zinc/32/84/80/1447328480.db2.gz LSWXMDJRGOZONC-LBPRGKRZSA-N -1 1 333.351 2.789 20 30 EFEDMM CCc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736684211 1447338475 /nfs/dbraw/zinc/33/84/75/1447338475.db2.gz WNGPDXFNHICDAU-UHFFFAOYSA-N -1 1 346.394 2.872 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)OCC ZINC000823873466 1449029977 /nfs/dbraw/zinc/02/99/77/1449029977.db2.gz MLGXDNRLRRDJTQ-LLVKDONJSA-N -1 1 347.444 2.727 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc3c(c2)COC3)cc1-c1nnn[n-]1 ZINC000821787723 1449088584 /nfs/dbraw/zinc/08/85/84/1449088584.db2.gz YNXPRFYJWDDTHV-KXFIGUGUSA-N -1 1 348.362 2.802 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819739609 1449161846 /nfs/dbraw/zinc/16/18/46/1449161846.db2.gz AQOHCCSENDDPPX-GFCCVEGCSA-N -1 1 329.429 2.548 20 30 EFEDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc2c(cc1C#N)CCCC2 ZINC000825961545 1449285420 /nfs/dbraw/zinc/28/54/20/1449285420.db2.gz HWWMYFRHBYIXEQ-UHFFFAOYSA-N -1 1 345.410 2.649 20 30 EFEDMM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000819722528 1449455003 /nfs/dbraw/zinc/45/50/03/1449455003.db2.gz LRRILVVPVFVLPT-YHYXMXQVSA-N -1 1 349.466 2.706 20 30 EFEDMM O=C(C=Cc1ccn(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403338 1449485391 /nfs/dbraw/zinc/48/53/91/1449485391.db2.gz PJHIVXANBPWLFP-KTKRTIGZSA-N -1 1 342.362 2.949 20 30 EFEDMM C#Cc1cccc(N(C(=O)c2sccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735389770 1449569102 /nfs/dbraw/zinc/56/91/02/1449569102.db2.gz IYNRBYKKEFAQKN-UHFFFAOYSA-N -1 1 337.408 2.965 20 30 EFEDMM CC(C)Oc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820173592 1449625419 /nfs/dbraw/zinc/62/54/19/1449625419.db2.gz JAGPBAZBNPXLAG-UHFFFAOYSA-N -1 1 348.366 2.778 20 30 EFEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1ccccc1Cl ZINC000822741546 1449714779 /nfs/dbraw/zinc/71/47/79/1449714779.db2.gz YONGSFVSOLTZKN-UHFFFAOYSA-N -1 1 330.754 2.783 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737718121 1449729749 /nfs/dbraw/zinc/72/97/49/1449729749.db2.gz FMVRRSXZUITALA-UHFFFAOYSA-N -1 1 340.293 2.928 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737709248 1449805228 /nfs/dbraw/zinc/80/52/28/1449805228.db2.gz LWWDRUZCAVBXNI-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM C=C(CC)COC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000823878135 1449962935 /nfs/dbraw/zinc/96/29/35/1449962935.db2.gz QGYWTMNDIPXMRJ-UHFFFAOYSA-N -1 1 347.444 2.788 20 30 EFEDMM C=C(C)[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C)OCC ZINC000823874136 1449990450 /nfs/dbraw/zinc/99/04/50/1449990450.db2.gz TYTNKASOZHINLN-HNNXBMFYSA-N -1 1 330.388 2.590 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)C1(CC)CC ZINC000821351512 1450135642 /nfs/dbraw/zinc/13/56/42/1450135642.db2.gz RSGPVZPDAYZLOS-LLVKDONJSA-N -1 1 333.396 2.546 20 30 EFEDMM N#Cc1ccc(SCCCOc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822833328 1450153981 /nfs/dbraw/zinc/15/39/81/1450153981.db2.gz OEEHHABXDLENEK-UHFFFAOYSA-N -1 1 338.396 2.695 20 30 EFEDMM C[C@@H](OC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495236 1450411785 /nfs/dbraw/zinc/41/17/85/1450411785.db2.gz FBEOPLYBVRCGTP-CYBMUJFWSA-N -1 1 347.378 2.975 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C#N)c2n1CCC2 ZINC000826234265 1450442081 /nfs/dbraw/zinc/44/20/81/1450442081.db2.gz OHLPJARCIBPIHM-HJWRWDBZSA-N -1 1 344.378 2.691 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737708762 1450462821 /nfs/dbraw/zinc/46/28/21/1450462821.db2.gz ILRWLXHKMLXPGS-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CCCC1 ZINC000819701854 1450497574 /nfs/dbraw/zinc/49/75/74/1450497574.db2.gz OKYUTGMVDLWCDK-UHFFFAOYSA-N -1 1 347.369 2.846 20 30 EFEDMM CCCNc1ccc(C#N)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000175784810 713440356 /nfs/dbraw/zinc/44/03/56/713440356.db2.gz WKUUQMOERBARGI-UHFFFAOYSA-N -1 1 347.378 2.869 20 30 EFEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)co2)cc1 ZINC000255174245 714062335 /nfs/dbraw/zinc/06/23/35/714062335.db2.gz VKKMAUNBMXWGEM-ZPUOCTKUSA-N -1 1 337.331 2.878 20 30 EFEDMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(C#N)CCOCC1 ZINC000932929540 714300439 /nfs/dbraw/zinc/30/04/39/714300439.db2.gz GWAPWRLLJMVIDZ-UHFFFAOYSA-N -1 1 344.745 2.629 20 30 EFEDMM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615438 714857817 /nfs/dbraw/zinc/85/78/17/714857817.db2.gz RRPKZPOIYGDAKW-GFCCVEGCSA-N -1 1 336.395 2.750 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000891618584 714865316 /nfs/dbraw/zinc/86/53/16/714865316.db2.gz RCYBVETWBWPBLA-UHFFFAOYSA-N -1 1 328.759 2.838 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Br)cs2)c(=O)o1 ZINC000255496018 715355835 /nfs/dbraw/zinc/35/58/35/715355835.db2.gz FTMLDOQJJCIYQQ-DLGQBQFBSA-N -1 1 341.182 2.739 20 30 EFEDMM CC[C@H](C#N)Oc1cc(C[N-]C(=O)C(F)(F)C(F)F)ccc1OC ZINC000176685341 715613674 /nfs/dbraw/zinc/61/36/74/715613674.db2.gz RBWIEVSTYSGGNX-SNVBAGLBSA-N -1 1 348.296 2.893 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)F)cc2)c(=O)o1 ZINC000255563384 715948660 /nfs/dbraw/zinc/94/86/60/715948660.db2.gz FSGGLYGYYUQAIN-OUOZUETKSA-N -1 1 336.290 2.559 20 30 EFEDMM C=C[C@@](C)(CC)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000975907084 716040500 /nfs/dbraw/zinc/04/05/00/716040500.db2.gz PISYZKUONLPRMZ-LIRRHRJNSA-N -1 1 345.443 2.500 20 30 EFEDMM COc1ccc(C(=O)[N-]C(=O)CSc2cccc(C#N)c2)cc1 ZINC000177101152 717773018 /nfs/dbraw/zinc/77/30/18/717773018.db2.gz YQMCCMRKULCHIB-UHFFFAOYSA-N -1 1 326.377 2.616 20 30 EFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C#N)cc1 ZINC000023417252 718165509 /nfs/dbraw/zinc/16/55/09/718165509.db2.gz CQSVRPRXEZHBNQ-ZDUSSCGKSA-N -1 1 344.392 2.865 20 30 EFEDMM CSc1nc(C)c(CCC(=O)OCC(C)(C)CCC#N)c(=O)[n-]1 ZINC000195065140 721095129 /nfs/dbraw/zinc/09/51/29/721095129.db2.gz BQBJQOGCBATQQO-UHFFFAOYSA-N -1 1 337.445 2.606 20 30 EFEDMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)n[n-]c1=S ZINC000026091686 721370531 /nfs/dbraw/zinc/37/05/31/721370531.db2.gz NIKGPWBEGVGCID-WCBMZHEXSA-N -1 1 335.458 2.768 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCC#N)ccc2C)cc1 ZINC000022847020 724792153 /nfs/dbraw/zinc/79/21/53/724792153.db2.gz WAGSSDBCUBZFHZ-UHFFFAOYSA-N -1 1 344.392 2.785 20 30 EFEDMM Cc1ccc2c(C=NN=C3[N-]S(=O)(=O)c4ccccc43)c[nH]c2c1 ZINC000917548622 728758636 /nfs/dbraw/zinc/75/86/36/728758636.db2.gz UIRLBGPODZTBDK-UHFFFAOYSA-N -1 1 338.392 2.549 20 30 EFEDMM CCOc1cc(C=Nn2c(C)cc(C)c(C#N)c2=O)cc(Cl)c1[O-] ZINC000917568963 728758501 /nfs/dbraw/zinc/75/85/01/728758501.db2.gz GKMQFKFBDNRDQD-UHFFFAOYSA-N -1 1 345.786 2.977 20 30 EFEDMM C=CC[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccccc1 ZINC000189235760 725441404 /nfs/dbraw/zinc/44/14/04/725441404.db2.gz RTADQMYYEJKXNL-CYBMUJFWSA-N -1 1 335.381 2.662 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNCCCOc2ccccc2)c1 ZINC000729148290 725463848 /nfs/dbraw/zinc/46/38/48/725463848.db2.gz YCQJIWXXLTUTDG-UHFFFAOYSA-N -1 1 328.368 2.571 20 30 EFEDMM C=CC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000987093899 725496488 /nfs/dbraw/zinc/49/64/88/725496488.db2.gz BMJNKRJSTJWWHE-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM O=c1nc(NN=C2CCc3c2ccc(Cl)c3Cl)nc2[nH][n-]cc1-2 ZINC000731157260 726813599 /nfs/dbraw/zinc/81/35/99/726813599.db2.gz JHDQJHYYRYWJTJ-UHFFFAOYSA-N -1 1 349.181 2.501 20 30 EFEDMM O=C([O-])C(F)(F)Oc1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731317714 726840924 /nfs/dbraw/zinc/84/09/24/726840924.db2.gz DLMNEVKUHOWYHX-UHFFFAOYSA-N -1 1 325.246 2.723 20 30 EFEDMM N#CCOc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000732269695 727012791 /nfs/dbraw/zinc/01/27/91/727012791.db2.gz KGTBVNKQSVJIPL-UHFFFAOYSA-N -1 1 348.362 2.866 20 30 EFEDMM CCn1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000732527964 727145109 /nfs/dbraw/zinc/14/51/09/727145109.db2.gz BMONNMNHVIDYHZ-UHFFFAOYSA-N -1 1 344.469 2.958 20 30 EFEDMM C=CCC[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000909712066 727366240 /nfs/dbraw/zinc/36/62/40/727366240.db2.gz GQEWCWVBUUMIJN-DLBZAZTESA-N -1 1 330.428 2.577 20 30 EFEDMM C=CCC[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000909712066 727366242 /nfs/dbraw/zinc/36/62/42/727366242.db2.gz GQEWCWVBUUMIJN-DLBZAZTESA-N -1 1 330.428 2.577 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000910172258 727416687 /nfs/dbraw/zinc/41/66/87/727416687.db2.gz ACGHCCSEFUMFBJ-AWEZNQCLSA-N -1 1 348.468 2.586 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000910172262 727416720 /nfs/dbraw/zinc/41/67/20/727416720.db2.gz ACGHCCSEFUMFBJ-CQSZACIVSA-N -1 1 348.468 2.586 20 30 EFEDMM CC(C)Oc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000915959400 727642745 /nfs/dbraw/zinc/64/27/45/727642745.db2.gz QBANNXHETMNBMN-UHFFFAOYSA-N -1 1 343.408 2.546 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1[O-] ZINC000912097178 727649808 /nfs/dbraw/zinc/64/98/08/727649808.db2.gz DFFGLGOKKCCHEL-MJGOQNOKSA-N -1 1 336.391 2.992 20 30 EFEDMM COc1cccc2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)oc21 ZINC000916136889 727659987 /nfs/dbraw/zinc/65/99/87/727659987.db2.gz BXVHBQPZLGBXHT-FYCOFBDGSA-N -1 1 326.304 2.670 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Br)ccc2F)n1 ZINC000916241778 727670095 /nfs/dbraw/zinc/67/00/95/727670095.db2.gz SSQKRNAOWHQFTE-UHFFFAOYSA-N -1 1 325.141 2.838 20 30 EFEDMM O=c1c2ccccc2ncn1N=Cc1ccc([O-])c(Br)c1 ZINC000916370029 727678490 /nfs/dbraw/zinc/67/84/90/727678490.db2.gz QSONQPCVARSEAK-UHFFFAOYSA-N -1 1 344.168 2.747 20 30 EFEDMM O=C([O-])COc1ccc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000912825383 727748190 /nfs/dbraw/zinc/74/81/90/727748190.db2.gz WQCFBFXDMLDOGK-UHFFFAOYSA-N -1 1 346.293 2.751 20 30 EFEDMM CC(C)(C)c1ncc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)s1 ZINC000920375305 729177185 /nfs/dbraw/zinc/17/71/85/729177185.db2.gz JQUUGKKBFWLUIQ-UHFFFAOYSA-N -1 1 348.453 2.513 20 30 EFEDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(C#N)ccc2Br)C1 ZINC001589280934 953512917 /nfs/dbraw/zinc/51/29/17/953512917.db2.gz OKLRVHNWBGXNTM-GWCFXTLKSA-N -1 1 337.217 2.863 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001589352877 954093579 /nfs/dbraw/zinc/09/35/79/954093579.db2.gz IWOXXQKAADKILY-GYSYKLTISA-N -1 1 349.818 2.581 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001589392402 954335758 /nfs/dbraw/zinc/33/57/58/954335758.db2.gz KUVFTZIVRGHLFZ-JTNHKYCSSA-N -1 1 349.818 2.581 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001589392401 954335963 /nfs/dbraw/zinc/33/59/63/954335963.db2.gz KUVFTZIVRGHLFZ-GYSYKLTISA-N -1 1 349.818 2.581 20 30 EFEDMM N#Cc1ccc([C@H](N[C@@H](CO)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001571190976 962250124 /nfs/dbraw/zinc/25/01/24/962250124.db2.gz FSYNHUVKTOLQDA-HOTGVXAUSA-N -1 1 330.771 2.661 20 30 EFEDMM C=C(C)CN(CCOc1cccc(C(=O)[O-])c1)Cc1ccc(CO)o1 ZINC001573324367 962782851 /nfs/dbraw/zinc/78/28/51/962782851.db2.gz QRPCERVOEHERPY-UHFFFAOYSA-N -1 1 345.395 2.927 20 30 EFEDMM C=C[C@@H]1OCCC[C@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001573379429 963108479 /nfs/dbraw/zinc/10/84/79/963108479.db2.gz HSJNXHUEHXQMSX-CVEARBPZSA-N -1 1 328.368 2.863 20 30 EFEDMM N#CC(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001605577063 973853774 /nfs/dbraw/zinc/85/37/74/973853774.db2.gz WLELDZVNENYSFU-BBBLOLIVSA-N -1 1 333.294 2.718 20 30 EFEDMM N#C[C@@H](C(=O)C1(CC(=O)[O-])CCC1)c1cc(C(F)(F)F)ccn1 ZINC001605577040 973854270 /nfs/dbraw/zinc/85/42/70/973854270.db2.gz SRBOFTLTRQZMIQ-SNVBAGLBSA-N -1 1 326.274 2.922 20 30 EFEDMM C[C@@](CCF)(NCC#Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001592497114 978296533 /nfs/dbraw/zinc/29/65/33/978296533.db2.gz AZVXZQFQIDEVNK-AWEZNQCLSA-N -1 1 333.281 2.729 20 30 EFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000746681079 978685635 /nfs/dbraw/zinc/68/56/35/978685635.db2.gz FHVWOMMUFFLNAR-UHFFFAOYSA-N -1 1 345.311 2.513 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NC1CCC(=O)Nc2ccccc21 ZINC000783863224 978794069 /nfs/dbraw/zinc/79/40/69/978794069.db2.gz OXVKSAYCPHQURB-UHFFFAOYSA-N -1 1 339.351 2.942 20 30 EFEDMM C=CCOC[C@H](NCc1cc(Br)c(C)s1)C(=O)[O-] ZINC000901809425 980530756 /nfs/dbraw/zinc/53/07/56/980530756.db2.gz DMEWLXBDLKVXFA-NSHDSACASA-N -1 1 334.235 2.564 20 30 EFEDMM C#CC[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC001588434980 983473821 /nfs/dbraw/zinc/47/38/21/983473821.db2.gz YSHWKNNJBXBYOO-LBPRGKRZSA-N -1 1 346.452 2.609 20 30 EFEDMM C=C(C)CN(CC)C(=O)COc1cc(C)nc(CCC)c1C(=O)[O-] ZINC001588563372 983645138 /nfs/dbraw/zinc/64/51/38/983645138.db2.gz SKBRPTVPSHWXDU-UHFFFAOYSA-N -1 1 334.416 2.844 20 30 EFEDMM C=CCC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCOCC1 ZINC001588765307 984126201 /nfs/dbraw/zinc/12/62/01/984126201.db2.gz XAGCQVSAOIOXLC-UHFFFAOYSA-N -1 1 329.356 2.573 20 30 EFEDMM C=CCC[C@@H](C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccccc1 ZINC001588777221 984155319 /nfs/dbraw/zinc/15/53/19/984155319.db2.gz XNCWITFBJZRFCJ-FUHWJXTLSA-N -1 1 344.455 2.744 20 30 EFEDMM CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001589854966 988393780 /nfs/dbraw/zinc/39/37/80/988393780.db2.gz LFTZQVFKBUCBIO-LJQANCHMSA-N -1 1 344.411 2.810 20 30 EFEDMM CC(C)CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)[O-] ZINC001591290066 992236082 /nfs/dbraw/zinc/23/60/82/992236082.db2.gz SLPLLJHPKQQEOY-UHFFFAOYSA-N -1 1 329.318 2.979 20 30 EFEDMM CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598506770 992513547 /nfs/dbraw/zinc/51/35/47/992513547.db2.gz KQSCHUBXRLHICH-UHFFFAOYSA-N -1 1 326.400 2.909 20 30 EFEDMM CN(c1ccccc1)[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001598544533 992931489 /nfs/dbraw/zinc/93/14/89/992931489.db2.gz SAIKUZUAAQLDPJ-KRWDZBQOSA-N -1 1 335.407 2.967 20 30 EFEDMM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H]1Cc1ccccc1 ZINC001598618912 993957773 /nfs/dbraw/zinc/95/77/73/993957773.db2.gz ANVNOXFRRUIKOR-SFHVURJKSA-N -1 1 349.434 2.615 20 30 EFEDMM COc1ccc([C@H](NCc2cc(C#N)ccn2)C(=O)[O-])cc1Cl ZINC001599527102 997579795 /nfs/dbraw/zinc/57/97/95/997579795.db2.gz LIQGRGYAHKYLAQ-HNNXBMFYSA-N -1 1 331.759 2.531 20 30 EFEDMM N#CC[C@H](CC(=O)OCC(=O)c1ccc([O-])cc1O)c1ccccc1 ZINC001647172404 1089032975 /nfs/dbraw/zinc/03/29/75/1089032975.db2.gz DSRSYDSEVQLVPM-CQSZACIVSA-N -1 1 339.347 2.911 20 30 EFEDMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(C#N)c(Cl)c1 ZINC001577829159 1090197309 /nfs/dbraw/zinc/19/73/09/1090197309.db2.gz SUNYGZRKUFKULP-UHFFFAOYSA-N -1 1 342.746 2.651 20 30 EFEDMM CCN(c1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1)C(C)C ZINC001578190149 1090299312 /nfs/dbraw/zinc/29/93/12/1090299312.db2.gz CFCCPDJOPYZYTF-UHFFFAOYSA-N -1 1 349.402 2.507 20 30 EFEDMM CCN(c1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1)C(C)C ZINC001578190149 1090299323 /nfs/dbraw/zinc/29/93/23/1090299323.db2.gz CFCCPDJOPYZYTF-UHFFFAOYSA-N -1 1 349.402 2.507 20 30 EFEDMM N#Cc1ccc([O-])c(NC(=O)[C@H](N)c2ccc(Br)cc2)c1 ZINC001580071257 1090762862 /nfs/dbraw/zinc/76/28/62/1090762862.db2.gz AYRLFBIKBBJVOU-CQSZACIVSA-N -1 1 346.184 2.665 20 30 EFEDMM Cc1ccccc1[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(C)C ZINC001581252948 1091107285 /nfs/dbraw/zinc/10/72/85/1091107285.db2.gz FYOJNDBRHLLRPI-HNNXBMFYSA-N -1 1 334.387 2.646 20 30 EFEDMM N#Cc1cc2ccccc2cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001581870655 1091326822 /nfs/dbraw/zinc/32/68/22/1091326822.db2.gz MPKIASXCJOODON-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM N#Cc1cc2ccccc2cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001581870655 1091326834 /nfs/dbraw/zinc/32/68/34/1091326834.db2.gz MPKIASXCJOODON-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM N#Cc1ccc(N(C(=O)c2coc(-c3nnn[n-]3)c2)C2CCC2)cc1 ZINC001581871558 1091327100 /nfs/dbraw/zinc/32/71/00/1091327100.db2.gz ZNGDFDPIYSWLIC-UHFFFAOYSA-N -1 1 334.339 2.531 20 30 EFEDMM N#Cc1ccc(N(C(=O)c2coc(-c3nn[n-]n3)c2)C2CCC2)cc1 ZINC001581871558 1091327112 /nfs/dbraw/zinc/32/71/12/1091327112.db2.gz ZNGDFDPIYSWLIC-UHFFFAOYSA-N -1 1 334.339 2.531 20 30 EFEDMM N#Cc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1F ZINC001581872351 1091327525 /nfs/dbraw/zinc/32/75/25/1091327525.db2.gz WQNOVRJTOYQZSR-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1F ZINC001581872351 1091327540 /nfs/dbraw/zinc/32/75/40/1091327540.db2.gz WQNOVRJTOYQZSR-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1ncc(Nc2cccc(-c3ccccc3)c2)nc1-c1nn[n-]n1 ZINC001581884991 1091332263 /nfs/dbraw/zinc/33/22/63/1091332263.db2.gz JMGLSBNOLWBAFL-UHFFFAOYSA-N -1 1 340.350 2.939 20 30 EFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001649731635 1092633029 /nfs/dbraw/zinc/63/30/29/1092633029.db2.gz FNLNFWNPWZIFBT-MELADBBJSA-N -1 1 346.452 2.858 20 30 EFEDMM Cc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)c(Cl)c1 ZINC001649771012 1092665883 /nfs/dbraw/zinc/66/58/83/1092665883.db2.gz WLEBTWSHVHMWOP-UHFFFAOYSA-N -1 1 334.784 2.527 20 30 EFEDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1F ZINC001649794310 1092684723 /nfs/dbraw/zinc/68/47/23/1092684723.db2.gz RCLHKDYVRVJPTD-LLVKDONJSA-N -1 1 334.372 2.746 20 30 EFEDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1F ZINC001649794313 1092685508 /nfs/dbraw/zinc/68/55/08/1092685508.db2.gz RCLHKDYVRVJPTD-NSHDSACASA-N -1 1 334.372 2.746 20 30 EFEDMM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC001588329505 1092925856 /nfs/dbraw/zinc/92/58/56/1092925856.db2.gz HTEXDXJZTPLZSW-LLVKDONJSA-N -1 1 343.799 2.686 20 30 EFEDMM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC001588329505 1092925866 /nfs/dbraw/zinc/92/58/66/1092925866.db2.gz HTEXDXJZTPLZSW-LLVKDONJSA-N -1 1 343.799 2.686 20 30 EFEDMM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccc(Cl)cc1 ZINC001588329861 1092926129 /nfs/dbraw/zinc/92/61/29/1092926129.db2.gz PLCHWDJZUQWUNM-CYBMUJFWSA-N -1 1 341.758 2.526 20 30 EFEDMM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccc(Cl)cc1 ZINC001588329861 1092926143 /nfs/dbraw/zinc/92/61/43/1092926143.db2.gz PLCHWDJZUQWUNM-CYBMUJFWSA-N -1 1 341.758 2.526 20 30 EFEDMM C#CC[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001588333745 1092928709 /nfs/dbraw/zinc/92/87/09/1092928709.db2.gz CWVXLQMEVQXVBU-OAHLLOKOSA-N -1 1 334.339 2.951 20 30 EFEDMM C#CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC001588334893 1092929520 /nfs/dbraw/zinc/92/95/20/1092929520.db2.gz PBBMIOJURHYMHT-UHFFFAOYSA-N -1 1 330.413 2.945 20 30 EFEDMM C#Cc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)cc1 ZINC001588374623 1092935559 /nfs/dbraw/zinc/93/55/59/1092935559.db2.gz DXUQDDKBBVLJGY-UHFFFAOYSA-N -1 1 328.335 2.582 20 30 EFEDMM C#CCSc1ccc(COC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001588364048 1092935695 /nfs/dbraw/zinc/93/56/95/1092935695.db2.gz PHQPJNYLUNXTLD-UHFFFAOYSA-N -1 1 340.364 2.542 20 30 EFEDMM C#CCSc1ccc(COC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001588364048 1092935702 /nfs/dbraw/zinc/93/57/02/1092935702.db2.gz PHQPJNYLUNXTLD-UHFFFAOYSA-N -1 1 340.364 2.542 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001588425710 1092945239 /nfs/dbraw/zinc/94/52/39/1092945239.db2.gz PZBBNSWJHLKZOQ-LLVKDONJSA-N -1 1 349.435 2.911 20 30 EFEDMM C=CCC1(C(=O)OCc2cccnc2-c2nnn[n-]2)CCCCC1 ZINC001588556409 1092958115 /nfs/dbraw/zinc/95/81/15/1092958115.db2.gz KYFGYDMNAGTORK-UHFFFAOYSA-N -1 1 327.388 2.832 20 30 EFEDMM C=CCC1(C(=O)OCc2cccnc2-c2nn[n-]n2)CCCCC1 ZINC001588556409 1092958123 /nfs/dbraw/zinc/95/81/23/1092958123.db2.gz KYFGYDMNAGTORK-UHFFFAOYSA-N -1 1 327.388 2.832 20 30 EFEDMM C=CCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CCCCC1 ZINC001588557305 1092960976 /nfs/dbraw/zinc/96/09/76/1092960976.db2.gz KAMRTNXTWGMWMV-UHFFFAOYSA-N -1 1 346.822 2.924 20 30 EFEDMM C=CCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588603627 1092967828 /nfs/dbraw/zinc/96/78/28/1092967828.db2.gz SEQWOHYNZLXVLA-UHFFFAOYSA-N -1 1 344.444 2.509 20 30 EFEDMM CC(=NNC[C@@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001588777399 1092993858 /nfs/dbraw/zinc/99/38/58/1092993858.db2.gz SEUOLINZHZQFGF-VIFPVBQESA-N -1 1 326.376 2.677 20 30 EFEDMM CC(C)[C@@H]1CCC[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001589507371 1093098662 /nfs/dbraw/zinc/09/86/62/1093098662.db2.gz JDLXGWGGSZAGMP-VXGBXAGGSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CC1(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CCCC1 ZINC001589570280 1093107907 /nfs/dbraw/zinc/10/79/07/1093107907.db2.gz CRLZZSVDIXNQOV-UHFFFAOYSA-N -1 1 326.408 2.547 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCCSCC2)o1 ZINC001589664506 1093123330 /nfs/dbraw/zinc/12/33/30/1093123330.db2.gz JABVRFHPFRZDQY-UHFFFAOYSA-N -1 1 335.437 2.738 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c(F)cccc2F)o1 ZINC001589664634 1093123898 /nfs/dbraw/zinc/12/38/98/1093123898.db2.gz RJKZIOOEMGTAJS-UHFFFAOYSA-N -1 1 347.329 2.777 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)o1 ZINC001589774221 1093143104 /nfs/dbraw/zinc/14/31/04/1093143104.db2.gz UPNHTEIHCDAAIU-WOPDTQHZSA-N -1 1 327.392 2.978 20 30 EFEDMM CC(CC(C)(C)C#N)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001589795925 1093150585 /nfs/dbraw/zinc/15/05/85/1093150585.db2.gz PNVJLMQKFDKFLD-UHFFFAOYSA-N -1 1 330.396 2.880 20 30 EFEDMM CC(C)c1ccc(C[C@@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001589897168 1093170793 /nfs/dbraw/zinc/17/07/93/1093170793.db2.gz PFSYRMTUVVZCFA-GFCCVEGCSA-N -1 1 348.414 2.695 20 30 EFEDMM CC(C)c1ccc(C[C@@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001589897168 1093170801 /nfs/dbraw/zinc/17/08/01/1093170801.db2.gz PFSYRMTUVVZCFA-GFCCVEGCSA-N -1 1 348.414 2.695 20 30 EFEDMM C[C@H](NN=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)C(F)(F)F ZINC001589977355 1093203609 /nfs/dbraw/zinc/20/36/09/1093203609.db2.gz VKKGNCARMIWAPH-YFKPBYRVSA-N -1 1 336.680 2.534 20 30 EFEDMM C[C@H](NN=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)C(F)(F)F ZINC001589977355 1093203613 /nfs/dbraw/zinc/20/36/13/1093203613.db2.gz VKKGNCARMIWAPH-YFKPBYRVSA-N -1 1 336.680 2.534 20 30 EFEDMM C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cccc2ccccc21 ZINC001589987107 1093211860 /nfs/dbraw/zinc/21/18/60/1093211860.db2.gz DWACKKLYBWLAMN-NSHDSACASA-N -1 1 342.366 2.855 20 30 EFEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590241887 1093330090 /nfs/dbraw/zinc/33/00/90/1093330090.db2.gz YLJLPWMROJXFSG-VOJFVSQTSA-N -1 1 349.398 2.550 20 30 EFEDMM CCCCC1CCC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001590581777 1093501225 /nfs/dbraw/zinc/50/12/25/1093501225.db2.gz DLWGYQDCJPCTTA-UHFFFAOYSA-N -1 1 326.408 2.689 20 30 EFEDMM CCCCCCC[C@@H](C)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590592803 1093502690 /nfs/dbraw/zinc/50/26/90/1093502690.db2.gz KMOPDFDYSKZTGV-GFCCVEGCSA-N -1 1 328.424 2.937 20 30 EFEDMM CCCCCCCC[C@@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590592774 1093502790 /nfs/dbraw/zinc/50/27/90/1093502790.db2.gz JBCOAWZOOAHIBD-GFCCVEGCSA-N -1 1 333.440 2.925 20 30 EFEDMM CCCCCCCC[C@@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590592774 1093502798 /nfs/dbraw/zinc/50/27/98/1093502798.db2.gz JBCOAWZOOAHIBD-GFCCVEGCSA-N -1 1 333.440 2.925 20 30 EFEDMM CCCCCCCCC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590592603 1093503528 /nfs/dbraw/zinc/50/35/28/1093503528.db2.gz AFCUPMGVVLVCPZ-UHFFFAOYSA-N -1 1 332.408 2.959 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)nc(Sc2cccc(C#N)c2Cl)n1 ZINC001591903737 1093911800 /nfs/dbraw/zinc/91/18/00/1093911800.db2.gz NDPFRGANTMPHIW-UHFFFAOYSA-N -1 1 329.776 2.641 20 30 EFEDMM Cc1cc(-c2nn[n-]n2)nc(Sc2cccc(C#N)c2Cl)n1 ZINC001591903737 1093911806 /nfs/dbraw/zinc/91/18/06/1093911806.db2.gz NDPFRGANTMPHIW-UHFFFAOYSA-N -1 1 329.776 2.641 20 30 EFEDMM Cc1cc(Cl)cc(C#N)c1OCc1nc(-c2nnn[n-]2)cs1 ZINC001591975088 1093942618 /nfs/dbraw/zinc/94/26/18/1093942618.db2.gz AXAYAMNWOBPJRI-UHFFFAOYSA-N -1 1 332.776 2.736 20 30 EFEDMM Cc1cc(Cl)cc(C#N)c1OCc1nc(-c2nn[n-]n2)cs1 ZINC001591975088 1093942620 /nfs/dbraw/zinc/94/26/20/1093942620.db2.gz AXAYAMNWOBPJRI-UHFFFAOYSA-N -1 1 332.776 2.736 20 30 EFEDMM Cc1cc(OC(=O)c2sccc2-c2nn[n-]n2)c(C)c(C)c1C#N ZINC001592060258 1093971290 /nfs/dbraw/zinc/97/12/90/1093971290.db2.gz KYJYHELHZAPERW-UHFFFAOYSA-N -1 1 339.380 2.944 20 30 EFEDMM Cc1ccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)cc1C#N ZINC001592167460 1094011981 /nfs/dbraw/zinc/01/19/81/1094011981.db2.gz KIYNRXWBBZPEMU-UHFFFAOYSA-N -1 1 331.792 2.769 20 30 EFEDMM Cc1ccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)cc1C#N ZINC001592167460 1094011986 /nfs/dbraw/zinc/01/19/86/1094011986.db2.gz KIYNRXWBBZPEMU-UHFFFAOYSA-N -1 1 331.792 2.769 20 30 EFEDMM Cc1ccccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001592254667 1094052685 /nfs/dbraw/zinc/05/26/85/1094052685.db2.gz RQLWCOLHQGNNIE-UHFFFAOYSA-N -1 1 325.376 2.907 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cc(Cl)sc1Cl ZINC001592335503 1094078825 /nfs/dbraw/zinc/07/88/25/1094078825.db2.gz RIXDZPKARPRHQX-UHFFFAOYSA-N -1 1 340.199 2.660 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(Cl)c2Cl)o1 ZINC001592338771 1094081967 /nfs/dbraw/zinc/08/19/67/1094081967.db2.gz MVBBTAXDBKBKCO-UHFFFAOYSA-N -1 1 338.158 2.916 20 30 EFEDMM Fc1cccnc1N=NCc1ccc(F)c(-c2nn[n-]n2)c1Cl ZINC001592661186 1094171973 /nfs/dbraw/zinc/17/19/73/1094171973.db2.gz OWBSNBPLVDKRKX-UHFFFAOYSA-N -1 1 335.705 2.639 20 30 EFEDMM N#CC[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001592682473 1094176182 /nfs/dbraw/zinc/17/61/82/1094176182.db2.gz YVOCWIHJLVICQF-WPRPVWTQSA-N -1 1 337.309 2.775 20 30 EFEDMM N#CC[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001592682473 1094176185 /nfs/dbraw/zinc/17/61/85/1094176185.db2.gz YVOCWIHJLVICQF-WPRPVWTQSA-N -1 1 337.309 2.775 20 30 EFEDMM N#Cc1c(F)cccc1NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592685921 1094176740 /nfs/dbraw/zinc/17/67/40/1094176740.db2.gz CMRKIARODZOVDP-UHFFFAOYSA-N -1 1 330.273 2.768 20 30 EFEDMM N#Cc1c(F)cccc1NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592685921 1094176743 /nfs/dbraw/zinc/17/67/43/1094176743.db2.gz CMRKIARODZOVDP-UHFFFAOYSA-N -1 1 330.273 2.768 20 30 EFEDMM N#Cc1ccc(F)c(CNc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001592693416 1094178402 /nfs/dbraw/zinc/17/84/02/1094178402.db2.gz BIHIQAOZKCRTCZ-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1ccc(F)c(CNc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001592693416 1094178405 /nfs/dbraw/zinc/17/84/05/1094178405.db2.gz BIHIQAOZKCRTCZ-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1ccc(Sc2cncc(-c3nnn[n-]3)n2)cc1C(F)(F)F ZINC001592697377 1094180430 /nfs/dbraw/zinc/18/04/30/1094180430.db2.gz HFGWYFFISLDGQZ-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1ccc(Sc2cncc(-c3nn[n-]n3)n2)cc1C(F)(F)F ZINC001592697377 1094180435 /nfs/dbraw/zinc/18/04/35/1094180435.db2.gz HFGWYFFISLDGQZ-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1ncc(N[C@H](CC2CCC2)c2ccccc2)nc1-c1nn[n-]n1 ZINC001592710716 1094183320 /nfs/dbraw/zinc/18/33/20/1094183320.db2.gz WCXPGKQFLHXAGL-CQSZACIVSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1ncc(Sc2ccc3c(c2)CCCC3)nc1-c1nn[n-]n1 ZINC001592708710 1094183413 /nfs/dbraw/zinc/18/34/13/1094183413.db2.gz KKDZXCVMVHHINS-UHFFFAOYSA-N -1 1 335.396 2.558 20 30 EFEDMM N#Cc1ncc(S[C@@H]2CCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001592708685 1094183593 /nfs/dbraw/zinc/18/35/93/1094183593.db2.gz IUHMCIXLCYOHCH-CYBMUJFWSA-N -1 1 335.396 2.698 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(CC2CCC2)c1 ZINC001592792044 1094188072 /nfs/dbraw/zinc/18/80/72/1094188072.db2.gz SZUXCXYZUDBBHB-GQCTYLIASA-N -1 1 340.412 2.821 20 30 EFEDMM O=C1c2cc(F)ccc2OC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593379547 1094304137 /nfs/dbraw/zinc/30/41/37/1094304137.db2.gz HBLBIHCJLHSSGQ-MLPAPPSSSA-N -1 1 326.262 2.761 20 30 EFEDMM O=C1C(=Cc2cccc(F)c2-c2nn[n-]n2)Oc2cc(F)cc(F)c21 ZINC001593379814 1094304156 /nfs/dbraw/zinc/30/41/56/1094304156.db2.gz KDDGRFOSDCAOGX-UUILKARUSA-N -1 1 344.252 2.900 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1C#N ZINC001600549602 1095156093 /nfs/dbraw/zinc/15/60/93/1095156093.db2.gz GNUOEKLLXYGBEE-UHFFFAOYSA-N -1 1 348.355 2.813 20 30 EFEDMM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1ccc(F)c(F)c1F ZINC001600784874 1095329198 /nfs/dbraw/zinc/32/91/98/1095329198.db2.gz ZDUOABZGFMLACU-UHFFFAOYSA-N -1 1 340.305 2.838 20 30 EFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccccc1C(=O)[O-] ZINC001600908431 1095420973 /nfs/dbraw/zinc/42/09/73/1095420973.db2.gz BNNNEEZOEJCIQH-AWEZNQCLSA-N -1 1 333.347 2.690 20 30 EFEDMM N#CC1(c2ccccn2)CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC001601058311 1095484868 /nfs/dbraw/zinc/48/48/68/1095484868.db2.gz LDISVLGALOZSGK-UHFFFAOYSA-N -1 1 335.407 2.766 20 30 EFEDMM N#Cc1ccc([C@H](NCc2cccnc2OCC(F)F)C(=O)[O-])cc1 ZINC001601096878 1095508621 /nfs/dbraw/zinc/50/86/21/1095508621.db2.gz OIHHORMOAUVQRM-HNNXBMFYSA-N -1 1 347.321 2.513 20 30 EFEDMM N#Cc1ccc(O)c(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1 ZINC001601108733 1095516166 /nfs/dbraw/zinc/51/61/66/1095516166.db2.gz QNPBCXMWDVIGGY-UHFFFAOYSA-N -1 1 335.319 2.625 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C[C@H]3CCCC[C@@H]3C(=O)[O-])CCO2)c1 ZINC001601120180 1095525329 /nfs/dbraw/zinc/52/53/29/1095525329.db2.gz KVQDDHVTYXPXAO-SQNIBIBYSA-N -1 1 328.412 2.823 20 30 EFEDMM N#Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)c1F ZINC001601121959 1095527874 /nfs/dbraw/zinc/52/78/74/1095527874.db2.gz ABSGWODWMQTCRC-MAZHCROVSA-N -1 1 332.375 2.542 20 30 EFEDMM N#Cc1ccccc1NC1CCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC001601125469 1095531405 /nfs/dbraw/zinc/53/14/05/1095531405.db2.gz IGWDOVKKTAYUSL-UHFFFAOYSA-N -1 1 336.395 2.728 20 30 EFEDMM O=C([O-])c1cnc([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)s1 ZINC001602514287 1096276718 /nfs/dbraw/zinc/27/67/18/1096276718.db2.gz ZIERBYSFUITFHU-ZDUSSCGKSA-N -1 1 330.384 2.821 20 30 EFEDMM C#CCOc1ccccc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001602733034 1096358817 /nfs/dbraw/zinc/35/88/17/1096358817.db2.gz QIVDOVUAWWDSBU-UHFFFAOYSA-N -1 1 346.803 2.601 20 30 EFEDMM C#CCOc1ccccc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001602733034 1096358822 /nfs/dbraw/zinc/35/88/22/1096358822.db2.gz QIVDOVUAWWDSBU-UHFFFAOYSA-N -1 1 346.803 2.601 20 30 EFEDMM C#Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC001602741310 1096359815 /nfs/dbraw/zinc/35/98/15/1096359815.db2.gz FLBNRQGUSSCQTL-UHFFFAOYSA-N -1 1 335.371 2.580 20 30 EFEDMM C=C(C)COCCN[C@H](C(=O)[O-])c1ccccc1Br ZINC001602762347 1096366713 /nfs/dbraw/zinc/36/67/13/1096366713.db2.gz IICUZFCIAQYRCO-ZDUSSCGKSA-N -1 1 328.206 2.757 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001602775480 1096368938 /nfs/dbraw/zinc/36/89/38/1096368938.db2.gz CTPDRDQUBKMPTA-YESZJQIVSA-N -1 1 344.455 2.917 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN([C@H](CC)c2ccccc2)CC1 ZINC001602778365 1096369490 /nfs/dbraw/zinc/36/94/90/1096369490.db2.gz OMLURCJCFCMVMK-QGZVFWFLSA-N -1 1 330.428 2.703 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001602816740 1096375686 /nfs/dbraw/zinc/37/56/86/1096375686.db2.gz UAOJJXCGKZGXAQ-CYBMUJFWSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001602816740 1096375695 /nfs/dbraw/zinc/37/56/95/1096375695.db2.gz UAOJJXCGKZGXAQ-CYBMUJFWSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CC[C@H]1N(C(=O)c2cc(-c3nnn[n-]3)oc2C)CCCC1(C)C ZINC001602823401 1096378444 /nfs/dbraw/zinc/37/84/44/1096378444.db2.gz KGSBXYMIJJADTE-CQSZACIVSA-N -1 1 329.404 2.975 20 30 EFEDMM C=CC[C@H]1N(C(=O)c2cc(-c3nn[n-]n3)oc2C)CCCC1(C)C ZINC001602823401 1096378449 /nfs/dbraw/zinc/37/84/49/1096378449.db2.gz KGSBXYMIJJADTE-CQSZACIVSA-N -1 1 329.404 2.975 20 30 EFEDMM C=CCC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001602833112 1096379504 /nfs/dbraw/zinc/37/95/04/1096379504.db2.gz DWAKGNKBBFVULH-INIZCTEOSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001602833112 1096379507 /nfs/dbraw/zinc/37/95/07/1096379507.db2.gz DWAKGNKBBFVULH-INIZCTEOSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCCn1c(=O)c(-c2nn[n-]n2)ccc1-c1ccc(Cl)s1 ZINC001602846707 1096382903 /nfs/dbraw/zinc/38/29/03/1096382903.db2.gz XJNZAMQLCHHUPQ-UHFFFAOYSA-N -1 1 333.804 2.986 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001602862136 1096389586 /nfs/dbraw/zinc/38/95/86/1096389586.db2.gz DUHPBQJTNGAWHX-UHFFFAOYSA-N -1 1 341.400 2.543 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001602862136 1096389595 /nfs/dbraw/zinc/38/95/95/1096389595.db2.gz DUHPBQJTNGAWHX-UHFFFAOYSA-N -1 1 341.400 2.543 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)[O-])ccc1Br ZINC001602941782 1096404057 /nfs/dbraw/zinc/40/40/57/1096404057.db2.gz FNHYCEPCIWCHQJ-OLZOCXBDSA-N -1 1 326.190 2.580 20 30 EFEDMM CC(C)(C)[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)c2ccccc21 ZINC001603067980 1096431245 /nfs/dbraw/zinc/43/12/45/1096431245.db2.gz VZPOEFUEOQOREU-GFCCVEGCSA-N -1 1 346.398 2.810 20 30 EFEDMM CC(C)(C)[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)c2ccccc21 ZINC001603068324 1096431532 /nfs/dbraw/zinc/43/15/32/1096431532.db2.gz YRGDNJXKQHHEBO-LBPRGKRZSA-N -1 1 346.398 2.810 20 30 EFEDMM CC(C)(C)[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)c2ccccc21 ZINC001603068324 1096431535 /nfs/dbraw/zinc/43/15/35/1096431535.db2.gz YRGDNJXKQHHEBO-LBPRGKRZSA-N -1 1 346.398 2.810 20 30 EFEDMM CC(C)[C@@H](NCC(=O)Nc1ccccc1SC[C@H](C)C#N)C(=O)[O-] ZINC001603132077 1096454811 /nfs/dbraw/zinc/45/48/11/1096454811.db2.gz QKFDZTSXFXPVOT-MLGOLLRUSA-N -1 1 349.456 2.576 20 30 EFEDMM CC(C)C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603264310 1096488827 /nfs/dbraw/zinc/48/88/27/1096488827.db2.gz BUTCSZMPRKCTKO-CYBMUJFWSA-N -1 1 334.387 2.728 20 30 EFEDMM CC(C)Oc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)o1 ZINC001603374208 1096515650 /nfs/dbraw/zinc/51/56/50/1096515650.db2.gz GBUQHSBTZLFXNG-UHFFFAOYSA-N -1 1 327.344 2.798 20 30 EFEDMM CC(C)Oc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)o1 ZINC001603374208 1096515656 /nfs/dbraw/zinc/51/56/56/1096515656.db2.gz GBUQHSBTZLFXNG-UHFFFAOYSA-N -1 1 327.344 2.798 20 30 EFEDMM CC(C)(C)OC(=O)c1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001603504349 1096540343 /nfs/dbraw/zinc/54/03/43/1096540343.db2.gz QPUJNRQZMBSXAA-UHFFFAOYSA-N -1 1 344.411 2.832 20 30 EFEDMM C[C@@H]1C[C@@H](CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC(C)(C)C1 ZINC001603851055 1096645544 /nfs/dbraw/zinc/64/55/44/1096645544.db2.gz QLTMMUQCBSXTGQ-VXGBXAGGSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@@H]1C[C@@H](CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC(C)(C)C1 ZINC001603851055 1096645547 /nfs/dbraw/zinc/64/55/47/1096645547.db2.gz QLTMMUQCBSXTGQ-VXGBXAGGSA-N -1 1 340.435 2.793 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC001603977811 1096685618 /nfs/dbraw/zinc/68/56/18/1096685618.db2.gz IWTUOTPRVUBFDM-CQSZACIVSA-N -1 1 349.398 2.863 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC001603977809 1096685849 /nfs/dbraw/zinc/68/58/49/1096685849.db2.gz IWTUOTPRVUBFDM-AWEZNQCLSA-N -1 1 349.398 2.863 20 30 EFEDMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCC1(C#N)CCCC1 ZINC001604072263 1096720881 /nfs/dbraw/zinc/72/08/81/1096720881.db2.gz PFWDVVRGZUAPNJ-CYBMUJFWSA-N -1 1 329.400 2.775 20 30 EFEDMM CCCCCCCCCN(C)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001604175600 1096761715 /nfs/dbraw/zinc/76/17/15/1096761715.db2.gz JNNOJVHVUCICEG-UHFFFAOYSA-N -1 1 332.452 2.668 20 30 EFEDMM C[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(C#N)cc1 ZINC001604330632 1096814829 /nfs/dbraw/zinc/81/48/29/1096814829.db2.gz UVTAPDKIHNFYOE-ZDUSSCGKSA-N -1 1 337.379 2.570 20 30 EFEDMM CCc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC001604524215 1096892727 /nfs/dbraw/zinc/89/27/27/1096892727.db2.gz YGUOFSKZAIOHTD-UHFFFAOYSA-N -1 1 325.376 2.987 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1cc(Cl)cc(C#N)c1 ZINC001604711250 1096938385 /nfs/dbraw/zinc/93/83/85/1096938385.db2.gz BNVXCVHZSCIDIJ-GCUJQHFUSA-N -1 1 334.803 2.807 20 30 EFEDMM COCCCC1(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CCC1 ZINC001605088128 1097019666 /nfs/dbraw/zinc/01/96/66/1097019666.db2.gz VHHUZJJTAFEZIJ-UHFFFAOYSA-N -1 1 347.423 2.973 20 30 EFEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1F ZINC001605269387 1097075461 /nfs/dbraw/zinc/07/54/61/1097075461.db2.gz CNNYXRMZKVIYLM-UHFFFAOYSA-N -1 1 345.338 2.572 20 30 EFEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C ZINC001605270187 1097076670 /nfs/dbraw/zinc/07/66/70/1097076670.db2.gz SDVMPQPGELQIDZ-UHFFFAOYSA-N -1 1 341.375 2.741 20 30 EFEDMM COc1ccccc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001605332290 1097099092 /nfs/dbraw/zinc/09/90/92/1097099092.db2.gz REIAQCGNUSFPRI-UHFFFAOYSA-N -1 1 341.375 2.508 20 30 EFEDMM CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC001605413760 1097121682 /nfs/dbraw/zinc/12/16/82/1097121682.db2.gz KLIXDPMHKYPKIE-RHSMWYFYSA-N -1 1 345.443 2.557 20 30 EFEDMM CCN(CCC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001605442959 1097126459 /nfs/dbraw/zinc/12/64/59/1097126459.db2.gz JQKCWPVCPQVVNH-UHFFFAOYSA-N -1 1 349.456 2.624 20 30 EFEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)O2 ZINC001605756040 1097216522 /nfs/dbraw/zinc/21/65/22/1097216522.db2.gz IRDKIVWLYWHRMM-XGICHPGQSA-N -1 1 325.353 2.556 20 30 EFEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)O2 ZINC001605756040 1097216528 /nfs/dbraw/zinc/21/65/28/1097216528.db2.gz IRDKIVWLYWHRMM-XGICHPGQSA-N -1 1 325.353 2.556 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)c(Cl)c2)o1 ZINC001606019556 1097299631 /nfs/dbraw/zinc/29/96/31/1097299631.db2.gz IMXHZNSNSWYUOE-UHFFFAOYSA-N -1 1 338.158 2.916 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@H](OC(C)C)c2ccccc2)o1 ZINC001606019568 1097300062 /nfs/dbraw/zinc/30/00/62/1097300062.db2.gz IQZMHLJDFSLJKR-ZDUSSCGKSA-N -1 1 341.375 2.727 20 30 EFEDMM CN(CCCNC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1C#N ZINC001606122115 1097322594 /nfs/dbraw/zinc/32/25/94/1097322594.db2.gz GDQDOVNKXKKJIS-UHFFFAOYSA-N -1 1 347.415 2.603 20 30 EFEDMM COC(=O)[C@H](C)n1cccc1C=NNc1cccc(F)c1C(=O)[O-] ZINC001606323433 1097382307 /nfs/dbraw/zinc/38/23/07/1097382307.db2.gz MVORQOBUKXIKLK-JTQLQIEISA-N -1 1 333.319 2.505 20 30 EFEDMM N#C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001606340610 1097388451 /nfs/dbraw/zinc/38/84/51/1097388451.db2.gz WMIAVEZVSUDVEL-NSHDSACASA-N -1 1 344.787 2.576 20 30 EFEDMM N#Cc1ccc(F)cc1NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606368881 1097394093 /nfs/dbraw/zinc/39/40/93/1097394093.db2.gz JVQLKKWBZDTGKI-UHFFFAOYSA-N -1 1 330.273 2.768 20 30 EFEDMM N#Cc1ccc(F)cc1NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606368881 1097394096 /nfs/dbraw/zinc/39/40/96/1097394096.db2.gz JVQLKKWBZDTGKI-UHFFFAOYSA-N -1 1 330.273 2.768 20 30 EFEDMM N#Cc1ccc(Cl)cc1Oc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001606368903 1097394616 /nfs/dbraw/zinc/39/46/16/1097394616.db2.gz KSWQEPQQGFPTEL-UHFFFAOYSA-N -1 1 339.746 2.851 20 30 EFEDMM N#Cc1ccc(Cl)cc1Oc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001606368903 1097394621 /nfs/dbraw/zinc/39/46/21/1097394621.db2.gz KSWQEPQQGFPTEL-UHFFFAOYSA-N -1 1 339.746 2.851 20 30 EFEDMM N#Cc1ccc(Oc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)cc1 ZINC001606379294 1097395231 /nfs/dbraw/zinc/39/52/31/1097395231.db2.gz NNLPFCLCKZFQDN-UHFFFAOYSA-N -1 1 332.245 2.944 20 30 EFEDMM N#Cc1ccc(Oc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)cc1 ZINC001606379294 1097395235 /nfs/dbraw/zinc/39/52/35/1097395235.db2.gz NNLPFCLCKZFQDN-UHFFFAOYSA-N -1 1 332.245 2.944 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c(F)c1 ZINC001606381035 1097397088 /nfs/dbraw/zinc/39/70/88/1097397088.db2.gz HSQZOOMOSDLWKA-UHFFFAOYSA-N -1 1 339.359 2.696 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c(F)c1 ZINC001606381035 1097397092 /nfs/dbraw/zinc/39/70/92/1097397092.db2.gz HSQZOOMOSDLWKA-UHFFFAOYSA-N -1 1 339.359 2.696 20 30 EFEDMM N#Cc1nc(N[C@@H]2CCC[C@H](c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001606392789 1097398183 /nfs/dbraw/zinc/39/81/83/1097398183.db2.gz DESCYAPZNCITMZ-UONOGXRCSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1nc(N[C@@H]2CCC[C@H](c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001606392789 1097398184 /nfs/dbraw/zinc/39/81/84/1097398184.db2.gz DESCYAPZNCITMZ-UONOGXRCSA-N -1 1 346.398 2.667 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1cnn(C2CCCC2)c1 ZINC001606488968 1097408458 /nfs/dbraw/zinc/40/84/58/1097408458.db2.gz ZCATXISFGSAZOP-WAYWQWQTSA-N -1 1 341.400 2.531 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1cnn(C2CCCC2)c1 ZINC001606488968 1097408461 /nfs/dbraw/zinc/40/84/61/1097408461.db2.gz ZCATXISFGSAZOP-WAYWQWQTSA-N -1 1 341.400 2.531 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001607201173 1097558977 /nfs/dbraw/zinc/55/89/77/1097558977.db2.gz BHXYVCIPMGWYKP-ZDUSSCGKSA-N -1 1 340.379 2.881 20 30 EFEDMM Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)oc1C(=O)[O-] ZINC001607648017 1097688303 /nfs/dbraw/zinc/68/83/03/1097688303.db2.gz NMYNPKVQLIINOC-UHFFFAOYSA-N -1 1 340.379 2.953 20 30 EFEDMM Cc1csc([C@H]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)n1 ZINC001607930147 1097780207 /nfs/dbraw/zinc/78/02/07/1097780207.db2.gz RPORYFIDDSDJBK-GJZGRUSLSA-N -1 1 327.409 2.938 20 30 EFEDMM C=C(C)[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001609051230 1098121409 /nfs/dbraw/zinc/12/14/09/1098121409.db2.gz SJPROEWBAQMURA-OAHLLOKOSA-N -1 1 328.326 2.691 20 30 EFEDMM C=C(C)[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001609051230 1098121412 /nfs/dbraw/zinc/12/14/12/1098121412.db2.gz SJPROEWBAQMURA-OAHLLOKOSA-N -1 1 328.326 2.691 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(O)cc2)o1 ZINC001609061481 1098127474 /nfs/dbraw/zinc/12/74/74/1098127474.db2.gz GSSXVWXUQPWABV-UHFFFAOYSA-N -1 1 341.375 2.595 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccc(F)cc2F)o1 ZINC001609111258 1098151388 /nfs/dbraw/zinc/15/13/88/1098151388.db2.gz MZAARWDZJXQRDU-UHFFFAOYSA-N -1 1 347.329 2.862 20 30 EFEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001609126415 1098158544 /nfs/dbraw/zinc/15/85/44/1098158544.db2.gz RKYGWYSGXQJFMD-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM CCc1cccc2c1OCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001609253178 1098227184 /nfs/dbraw/zinc/22/71/84/1098227184.db2.gz UTSURGAGWPAAJI-UXBLZVDNSA-N -1 1 339.380 2.544 20 30 EFEDMM CCc1cccc2c1OCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001609253178 1098227189 /nfs/dbraw/zinc/22/71/89/1098227189.db2.gz UTSURGAGWPAAJI-UXBLZVDNSA-N -1 1 339.380 2.544 20 30 EFEDMM C=CCN(CC(=O)Nc1cccc(C(=O)[O-])n1)CC1CCCCC1 ZINC001609356919 1098264066 /nfs/dbraw/zinc/26/40/66/1098264066.db2.gz SRLWXYSNHSNKEM-UHFFFAOYSA-N -1 1 331.416 2.787 20 30 EFEDMM CSC1(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCC1 ZINC001609369085 1098269158 /nfs/dbraw/zinc/26/91/58/1098269158.db2.gz KDRROLFBAFZRAC-UHFFFAOYSA-N -1 1 335.437 2.836 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cccc3Cl)o1 ZINC001609446350 1098327557 /nfs/dbraw/zinc/32/75/57/1098327557.db2.gz YVVPQHYHASABKX-UHFFFAOYSA-N -1 1 329.751 2.579 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)cc(Cl)c2)o1 ZINC001609446342 1098327645 /nfs/dbraw/zinc/32/76/45/1098327645.db2.gz YEZJPIMPFLGIJM-UHFFFAOYSA-N -1 1 338.158 2.916 20 30 EFEDMM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609458140 1098334921 /nfs/dbraw/zinc/33/49/21/1098334921.db2.gz VMXKXVRGFHGIQQ-PLNGDYQASA-N -1 1 328.401 2.910 20 30 EFEDMM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609458140 1098334924 /nfs/dbraw/zinc/33/49/24/1098334924.db2.gz VMXKXVRGFHGIQQ-PLNGDYQASA-N -1 1 328.401 2.910 20 30 EFEDMM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c(F)c1 ZINC001609499235 1098361661 /nfs/dbraw/zinc/36/16/61/1098361661.db2.gz BTLYNDZMFUCHGF-UHFFFAOYSA-N -1 1 342.315 2.937 20 30 EFEDMM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(F)c1 ZINC001609499235 1098361667 /nfs/dbraw/zinc/36/16/67/1098361667.db2.gz BTLYNDZMFUCHGF-UHFFFAOYSA-N -1 1 342.315 2.937 20 30 EFEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@]1(O)CCc2ccccc21 ZINC001610122658 1098553687 /nfs/dbraw/zinc/55/36/87/1098553687.db2.gz BWRBZMDYGYYAKK-HXUWFJFHSA-N -1 1 336.391 2.522 20 30 EFEDMM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc([O-])cc1Cl ZINC001269982414 1098558416 /nfs/dbraw/zinc/55/84/16/1098558416.db2.gz CNEVFACDPJKUEK-HZPDHXFCSA-N -1 1 348.830 2.827 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCN(C(=O)c3ccc([O-])cc3Cl)C2)C1=O ZINC001269983555 1098566897 /nfs/dbraw/zinc/56/68/97/1098566897.db2.gz SEPHYARQMOVCBX-GOSISDBHSA-N -1 1 348.830 2.686 20 30 EFEDMM COc1cc(C#N)ccc1CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001610280270 1098599419 /nfs/dbraw/zinc/59/94/19/1098599419.db2.gz YHSMMSWKULDRIC-UHFFFAOYSA-N -1 1 346.333 2.932 20 30 EFEDMM O=C([O-])c1c(F)cccc1NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC001610806394 1098900758 /nfs/dbraw/zinc/90/07/58/1098900758.db2.gz NPUDCGCMBCERNL-UHFFFAOYSA-N -1 1 325.303 2.755 20 30 EFEDMM COCCN(C(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C#N)cc1 ZINC001126075622 1099378242 /nfs/dbraw/zinc/37/82/42/1099378242.db2.gz IOSCBDVBSLVUDO-UHFFFAOYSA-N -1 1 347.374 2.693 20 30 EFEDMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1cccc(F)c1C#N ZINC001105174880 1099918398 /nfs/dbraw/zinc/91/83/98/1099918398.db2.gz NXEMRZRVPOCNPT-HNNXBMFYSA-N -1 1 342.374 2.664 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1[O-] ZINC000785409061 1101249197 /nfs/dbraw/zinc/24/91/97/1101249197.db2.gz BKAPCWWCZCTAJV-CQSZACIVSA-N -1 1 334.734 2.520 20 30 EFEDMM CC(=NNc1nccn(C)c1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000748081281 1101465911 /nfs/dbraw/zinc/46/59/11/1101465911.db2.gz VZOFTSXWFPLIHO-UHFFFAOYSA-N -1 1 327.171 2.629 20 30 EFEDMM O=S(=O)([N-]c1nccs1)c1ccc(N=NCc2cc[nH]c2)cc1 ZINC000748081986 1101488618 /nfs/dbraw/zinc/48/86/18/1101488618.db2.gz WGOSKGUNZNBGAX-UHFFFAOYSA-N -1 1 347.425 2.718 20 30 EFEDMM C=CCN1CC[C@@]2(CCCN(C(=O)c3cc([O-])cc(F)c3)CC2)C1=O ZINC001271563611 1102120855 /nfs/dbraw/zinc/12/08/55/1102120855.db2.gz ZSELUKPDRFNDGH-IBGZPJMESA-N -1 1 346.402 2.562 20 30 EFEDMM CC[C@](C)(CCCNC(=O)c1ccc(C#N)c([O-])c1)C1OCCO1 ZINC000785410719 1102260770 /nfs/dbraw/zinc/26/07/70/1102260770.db2.gz DCEGVQUZPAMOPW-GOSISDBHSA-N -1 1 332.400 2.563 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1c(F)cccc1Cl ZINC000785410599 1102297778 /nfs/dbraw/zinc/29/77/78/1102297778.db2.gz APYJHYPSLRRVJB-FVMDXXJSSA-N -1 1 348.761 2.908 20 30 EFEDMM CC(=O)c1cccc(OCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000073755770 1102415150 /nfs/dbraw/zinc/41/51/50/1102415150.db2.gz PJYFOGCLZIMPOR-UHFFFAOYSA-N -1 1 328.250 2.693 20 30 EFEDMM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000905539337 1103288767 /nfs/dbraw/zinc/28/87/67/1103288767.db2.gz DRGDMTSOHFBBOS-LBPRGKRZSA-N -1 1 333.791 2.897 20 30 EFEDMM COc1cc(OC)nc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)n1 ZINC000905771410 1103605895 /nfs/dbraw/zinc/60/58/95/1103605895.db2.gz MCGBYXWUQIVIIU-UHFFFAOYSA-N -1 1 346.412 2.977 20 30 EFEDMM CC(C)(C)OC(=O)CCNN=Cc1cccc(Br)c1[O-] ZINC000783868915 1107238254 /nfs/dbraw/zinc/23/82/54/1107238254.db2.gz MOTPQXRMKBZSOT-UHFFFAOYSA-N -1 1 343.221 2.810 20 30 EFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cc1F ZINC001272225041 1108127919 /nfs/dbraw/zinc/12/79/19/1108127919.db2.gz TYYJIXUZCKMRRC-LJQANCHMSA-N -1 1 346.402 2.705 20 30 EFEDMM O=C(/C=C/c1ccc(N2CCC(O)CC2)cc1)c1cc(O)ccc1[O-] ZINC000905073858 1108396564 /nfs/dbraw/zinc/39/65/64/1108396564.db2.gz MMMFTRCBVHFLRQ-XVNBXDOJSA-N -1 1 339.391 2.955 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1 ZINC000176461202 1108683367 /nfs/dbraw/zinc/68/33/67/1108683367.db2.gz VCIKFCBXMHAINI-ZDUSSCGKSA-N -1 1 325.349 2.590 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(C)sc1C ZINC000914599566 1111282879 /nfs/dbraw/zinc/28/28/79/1111282879.db2.gz GBSXKCJEXXYWGL-UHFFFAOYSA-N -1 1 333.438 2.828 20 30 EFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OC)cc1 ZINC000914599405 1111283266 /nfs/dbraw/zinc/28/32/66/1111283266.db2.gz AVCBQMLBRBRLHY-UHFFFAOYSA-N -1 1 343.408 2.548 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C)cc1C ZINC000914599463 1111283418 /nfs/dbraw/zinc/28/34/18/1111283418.db2.gz CZKFFQVMCKJOND-UHFFFAOYSA-N -1 1 327.409 2.766 20 30 EFEDMM CCc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)s1 ZINC000914599708 1111283801 /nfs/dbraw/zinc/28/38/01/1111283801.db2.gz HVLWVYJLECCYGI-UHFFFAOYSA-N -1 1 333.438 2.773 20 30 EFEDMM CCc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914599831 1111284015 /nfs/dbraw/zinc/28/40/15/1111284015.db2.gz LEWATADAIBKINM-UHFFFAOYSA-N -1 1 327.409 2.712 20 30 EFEDMM Cc1[nH]c2ccccc2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914600934 1111284082 /nfs/dbraw/zinc/28/40/82/1111284082.db2.gz ZMPJZFPQQGJAON-UHFFFAOYSA-N -1 1 338.392 2.549 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000914599819 1111284116 /nfs/dbraw/zinc/28/41/16/1111284116.db2.gz MKQCPSHBBCOQNI-UHFFFAOYSA-N -1 1 339.829 2.864 20 30 EFEDMM C=C(Cl)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001089633366 1112423686 /nfs/dbraw/zinc/42/36/86/1112423686.db2.gz IBKXRWAIUMXJSK-CYBMUJFWSA-N -1 1 337.851 2.760 20 30 EFEDMM C=C(Cl)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001089633368 1112423752 /nfs/dbraw/zinc/42/37/52/1112423752.db2.gz IBKXRWAIUMXJSK-ZDUSSCGKSA-N -1 1 337.851 2.760 20 30 EFEDMM C=C(C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943203527 1119360265 /nfs/dbraw/zinc/36/02/65/1119360265.db2.gz KVTCUJAVGPABIN-AWEZNQCLSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2Br)c(=O)o1 ZINC000003543742 210050198 /nfs/dbraw/zinc/05/01/98/210050198.db2.gz DMSPCRKFINVEPC-PSKZRQQASA-N -1 1 335.153 2.677 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cn1 ZINC000171090540 239138566 /nfs/dbraw/zinc/13/85/66/239138566.db2.gz MWIJDDMFARNLPN-UHFFFAOYSA-N -1 1 345.277 2.912 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1[O-] ZINC000189776164 239857822 /nfs/dbraw/zinc/85/78/22/239857822.db2.gz YEWXTHHYTSYLNY-UHFFFAOYSA-N -1 1 341.798 2.880 20 30 EFEDMM C=C[C@](C)(CCOC)C(=O)Nc1nc(Br)ccc1[O-] ZINC000194575402 240161512 /nfs/dbraw/zinc/16/15/12/240161512.db2.gz GJQAZRVSPKRRNL-CYBMUJFWSA-N -1 1 329.194 2.717 20 30 EFEDMM C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000194719915 240174077 /nfs/dbraw/zinc/17/40/77/240174077.db2.gz NLGAEYWQSFWZOC-CYBMUJFWSA-N -1 1 343.408 2.519 20 30 EFEDMM C=CCOCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000354658285 242009585 /nfs/dbraw/zinc/00/95/85/242009585.db2.gz QNWNVKIFIOEUQO-UHFFFAOYSA-N -1 1 346.408 2.629 20 30 EFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(CC#N)cc1 ZINC000358920984 242135634 /nfs/dbraw/zinc/13/56/34/242135634.db2.gz QJZNTTZOVWLXKL-UHFFFAOYSA-N -1 1 347.371 2.516 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000360183672 242187769 /nfs/dbraw/zinc/18/77/69/242187769.db2.gz MHCUZVQYSMUVCX-LLVKDONJSA-N -1 1 340.455 2.733 20 30 EFEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000362587823 242260661 /nfs/dbraw/zinc/26/06/61/242260661.db2.gz NGIABJXPHCUIKW-ZDUSSCGKSA-N -1 1 330.409 2.792 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000080540527 217313008 /nfs/dbraw/zinc/31/30/08/217313008.db2.gz NRGPDBQDUAIPQM-UHFFFAOYSA-N -1 1 338.411 2.520 20 30 EFEDMM N#CC[C@@H](CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000425319878 247040010 /nfs/dbraw/zinc/04/00/10/247040010.db2.gz KHBPNMIZPVGRAH-HNNXBMFYSA-N -1 1 340.383 2.569 20 30 EFEDMM COC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000427965420 247415249 /nfs/dbraw/zinc/41/52/49/247415249.db2.gz QGUADCBDEYJYMJ-OAHLLOKOSA-N -1 1 330.384 2.506 20 30 EFEDMM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000437667579 249698423 /nfs/dbraw/zinc/69/84/23/249698423.db2.gz ITRUPQBSPDLUEQ-UHFFFAOYSA-N -1 1 328.278 2.802 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1[O-] ZINC000442631494 250093819 /nfs/dbraw/zinc/09/38/19/250093819.db2.gz UIOWSMZSOBDQJU-UHFFFAOYSA-N -1 1 344.374 2.648 20 30 EFEDMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442682009 250102817 /nfs/dbraw/zinc/10/28/17/250102817.db2.gz SGBABQBISZIYBT-PIGZYNQJSA-N -1 1 328.343 2.909 20 30 EFEDMM CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442864323 250132409 /nfs/dbraw/zinc/13/24/09/250132409.db2.gz CNCRKPRMAQFQQP-UHFFFAOYSA-N -1 1 340.379 2.943 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC(OCCCc3ccccc3)C2)cc1[O-] ZINC000443279765 250180038 /nfs/dbraw/zinc/18/00/38/250180038.db2.gz ZYDWJIHPMBPNIY-UHFFFAOYSA-N -1 1 336.391 2.738 20 30 EFEDMM C=CC[C@H]1N(C(=O)c2c[n-]c3c(cnn3C)c2=O)CCCC1(C)C ZINC000444637445 250322064 /nfs/dbraw/zinc/32/20/64/250322064.db2.gz QSWBJMNUNSCBLP-CQSZACIVSA-N -1 1 328.416 2.881 20 30 EFEDMM Cc1ccc(F)c(-c2cc(=NC(=O)CNc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000444808790 250354545 /nfs/dbraw/zinc/35/45/45/250354545.db2.gz ANFUEOQJTJGMBJ-UHFFFAOYSA-N -1 1 349.369 2.868 20 30 EFEDMM C#C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)C(C)C ZINC000366990392 533250340 /nfs/dbraw/zinc/25/03/40/533250340.db2.gz NRSDVQSCPDVSJQ-QGZVFWFLSA-N -1 1 328.412 2.654 20 30 EFEDMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000108639012 141359701 /nfs/dbraw/zinc/35/97/01/141359701.db2.gz HVPOVNLOGBZQCZ-UHFFFAOYSA-N -1 1 338.392 2.760 20 30 EFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1CO ZINC000326737182 141503449 /nfs/dbraw/zinc/50/34/49/141503449.db2.gz IEHNUZZUUDMVQJ-UHFFFAOYSA-N -1 1 346.408 2.559 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)o1 ZINC000344725685 142067979 /nfs/dbraw/zinc/06/79/79/142067979.db2.gz QKIYKHBEXZUHBL-UHFFFAOYSA-N -1 1 336.800 2.815 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2OCc2ccccc2)o1 ZINC000344726899 142068364 /nfs/dbraw/zinc/06/83/64/142068364.db2.gz RDWXHLJYGITTIV-JKSUJKDBSA-N -1 1 346.408 2.567 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000344810604 142082136 /nfs/dbraw/zinc/08/21/36/142082136.db2.gz ABXZPYJAFYFNIE-MFKMUULPSA-N -1 1 340.763 2.778 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc2n[nH]cc21 ZINC000346477183 142209685 /nfs/dbraw/zinc/20/96/85/142209685.db2.gz JTPCRWWGGDTYAY-UHFFFAOYSA-N -1 1 326.381 2.852 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000344184451 145387229 /nfs/dbraw/zinc/38/72/29/145387229.db2.gz APTWPPSWHLLAQK-ZJUUUORDSA-N -1 1 336.335 2.798 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)o1 ZINC000344212616 145394005 /nfs/dbraw/zinc/39/40/05/145394005.db2.gz FBBKMSXGOHXXQY-UHFFFAOYSA-N -1 1 346.286 2.528 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)o1 ZINC000344227608 145396887 /nfs/dbraw/zinc/39/68/87/145396887.db2.gz ZKDYTNZXJKOMPH-GFCCVEGCSA-N -1 1 338.385 2.806 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000350942098 146102941 /nfs/dbraw/zinc/10/29/41/146102941.db2.gz POKAMYJSOXVECJ-UHFFFAOYSA-N -1 1 343.408 2.726 20 30 EFEDMM Cc1ccccc1-c1nc(CNC(=O)c2ccc(C#N)c([O-])c2)no1 ZINC000356447529 147246757 /nfs/dbraw/zinc/24/67/57/147246757.db2.gz OSOWHRFNOFNMEM-UHFFFAOYSA-N -1 1 334.335 2.552 20 30 EFEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1[O-] ZINC000329392527 269958964 /nfs/dbraw/zinc/95/89/64/269958964.db2.gz SEUCSDNHTSXNCV-GUDVDZBRSA-N -1 1 348.402 2.909 20 30 EFEDMM CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000330832325 270026233 /nfs/dbraw/zinc/02/62/33/270026233.db2.gz QMHGVUVRDAIBIX-ZETCQYMHSA-N -1 1 335.198 2.537 20 30 EFEDMM Cc1cnc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000332119215 270026722 /nfs/dbraw/zinc/02/67/22/270026722.db2.gz KUWJRINVXDNFGH-UHFFFAOYSA-N -1 1 337.379 2.651 20 30 EFEDMM CCc1nc(CNCc2ccc(C#N)c(OC)c2)ccc1C(=O)[O-] ZINC000417564832 270027818 /nfs/dbraw/zinc/02/78/18/270027818.db2.gz LCZBPIPCTLPURB-UHFFFAOYSA-N -1 1 325.368 2.512 20 30 EFEDMM COCCCOc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188714134 265151628 /nfs/dbraw/zinc/15/16/28/265151628.db2.gz ZQVSWKNNUVBYQE-UHFFFAOYSA-N -1 1 340.379 2.609 20 30 EFEDMM CC[C@H](C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(=O)OC(C)(C)C ZINC000189020759 265168465 /nfs/dbraw/zinc/16/84/65/265168465.db2.gz WYZFWPLIRZCANV-NHYWBVRUSA-N -1 1 332.400 2.750 20 30 EFEDMM N#Cc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000049447823 272987514 /nfs/dbraw/zinc/98/75/14/272987514.db2.gz PKGLSJHTQIUOPV-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM CCOc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1OC ZINC000188499193 266308417 /nfs/dbraw/zinc/30/84/17/266308417.db2.gz SGNZXLZPALEMFY-UHFFFAOYSA-N -1 1 326.352 2.601 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)nc1 ZINC000294881489 268117969 /nfs/dbraw/zinc/11/79/69/268117969.db2.gz KYMUVJRXRSJNGQ-UHFFFAOYSA-N -1 1 328.803 2.634 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCC2)o1 ZINC000287356908 268197645 /nfs/dbraw/zinc/19/76/45/268197645.db2.gz MBZMEEIQBQGPTD-UHFFFAOYSA-N -1 1 334.372 2.734 20 30 EFEDMM N#Cc1cccc(OC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000188447439 268270732 /nfs/dbraw/zinc/27/07/32/268270732.db2.gz ITXAMYFIOZADNV-UHFFFAOYSA-N -1 1 347.374 2.819 20 30 EFEDMM O=C1c2cnn(-c3ncccn3)c2CC/C1=C/c1ccc([O-])c(F)c1 ZINC000366524926 280332631 /nfs/dbraw/zinc/33/26/31/280332631.db2.gz HARSJEKMXYVESD-WQLSENKSSA-N -1 1 336.326 2.720 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])c1C#N ZINC000548203151 318084291 /nfs/dbraw/zinc/08/42/91/318084291.db2.gz UEZWOPVECHZLEG-UHFFFAOYSA-N -1 1 348.355 2.813 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCCCc2ccc(F)cc2)o1 ZINC000553524220 318286054 /nfs/dbraw/zinc/28/60/54/318286054.db2.gz PNPYDODOJHLEKS-UHFFFAOYSA-N -1 1 336.388 2.982 20 30 EFEDMM CCc1nc(SCC(=O)Nc2sccc2C#N)[n-]c(=O)c1C ZINC000565241171 318950319 /nfs/dbraw/zinc/95/03/19/318950319.db2.gz AOPJGVGJYPOFNG-UHFFFAOYSA-N -1 1 334.426 2.717 20 30 EFEDMM C=CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185051351 473312522 /nfs/dbraw/zinc/31/25/22/473312522.db2.gz HIAJPIRIXOSZBS-LBPRGKRZSA-N -1 1 329.425 2.528 20 30 EFEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000152746826 473592216 /nfs/dbraw/zinc/59/22/16/473592216.db2.gz QEABZFKUPVVACN-ZCFIWIBFSA-N -1 1 326.162 2.580 20 30 EFEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000006316397 471540434 /nfs/dbraw/zinc/54/04/34/471540434.db2.gz YWCPGDYCZWPGKS-UHFFFAOYSA-N -1 1 330.365 2.536 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000007054673 471588203 /nfs/dbraw/zinc/58/82/03/471588203.db2.gz AZPRMHMCXOXIQO-UHFFFAOYSA-N -1 1 330.365 2.520 20 30 EFEDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000011443395 471751194 /nfs/dbraw/zinc/75/11/94/471751194.db2.gz FKLZRQYVIDTMGA-LLVKDONJSA-N -1 1 342.424 2.713 20 30 EFEDMM C#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000017797729 471964789 /nfs/dbraw/zinc/96/47/89/471964789.db2.gz UIGYEPVQABYTGZ-UHFFFAOYSA-N -1 1 348.811 2.504 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2cc3c(C)nn(C)c3nc2C)n1 ZINC000041515742 472066494 /nfs/dbraw/zinc/06/64/94/472066494.db2.gz QQEIPGDKZBUYKR-CYBMUJFWSA-N -1 1 325.397 2.840 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CS3)n1 ZINC000041521690 472067911 /nfs/dbraw/zinc/06/79/11/472067911.db2.gz NIGZCBOIFDKWSW-SNVBAGLBSA-N -1 1 329.406 2.986 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000041616445 472073385 /nfs/dbraw/zinc/07/33/85/472073385.db2.gz LSFSHWHRXMUXKM-UHFFFAOYSA-N -1 1 340.404 2.744 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)cc2)n1 ZINC000067895688 472106387 /nfs/dbraw/zinc/10/63/87/472106387.db2.gz IBTHYVRRQMOAJS-LBPRGKRZSA-N -1 1 330.365 2.818 20 30 EFEDMM CC(C)n1c(CNC(=O)Nc2ccc(CC#N)cc2)n[n-]c1=S ZINC000085552321 472256080 /nfs/dbraw/zinc/25/60/80/472256080.db2.gz BWNFSYYZZWNWAO-UHFFFAOYSA-N -1 1 330.417 2.909 20 30 EFEDMM C#CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000056361872 472312034 /nfs/dbraw/zinc/31/20/34/472312034.db2.gz JNHUPQJIBDZZSP-UHFFFAOYSA-N -1 1 342.420 2.583 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000057120250 472383617 /nfs/dbraw/zinc/38/36/17/472383617.db2.gz ZDLTWJIGYJRCRD-UHFFFAOYSA-N -1 1 342.405 2.878 20 30 EFEDMM CSc1[n-]c(=O)c(C(=O)Nc2cccc3c[nH]nc32)cc1C#N ZINC000031906675 472401120 /nfs/dbraw/zinc/40/11/20/472401120.db2.gz UHWKOMUVMGWGRT-UHFFFAOYSA-N -1 1 325.353 2.509 20 30 EFEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)CCC#N)c1 ZINC000097042242 472421332 /nfs/dbraw/zinc/42/13/32/472421332.db2.gz NFJBASVDCXFLOK-UHFFFAOYSA-N -1 1 329.429 2.678 20 30 EFEDMM N#Cc1ccc(NCCc2n[n-]c(=S)n2C2CC2)c([N+](=O)[O-])c1 ZINC000069813626 472438997 /nfs/dbraw/zinc/43/89/97/472438997.db2.gz ARWNDEUOPHORQT-UHFFFAOYSA-N -1 1 330.373 2.710 20 30 EFEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000102862146 472596477 /nfs/dbraw/zinc/59/64/77/472596477.db2.gz YMEUMTWUCLTPOJ-UHFFFAOYSA-N -1 1 347.371 2.847 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c2cccnc12 ZINC000047251787 472676376 /nfs/dbraw/zinc/67/63/76/472676376.db2.gz LETBTRUBUAOTEW-UHFFFAOYSA-N -1 1 339.376 2.916 20 30 EFEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000064475549 472857972 /nfs/dbraw/zinc/85/79/72/472857972.db2.gz HOUPRIZIQORRKV-UHFFFAOYSA-N -1 1 343.408 2.902 20 30 EFEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc(C)c2C#N)o1 ZINC000121966886 472954731 /nfs/dbraw/zinc/95/47/31/472954731.db2.gz RYVMWASRQCGVET-HNNXBMFYSA-N -1 1 348.424 2.688 20 30 EFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000134731437 472959851 /nfs/dbraw/zinc/95/98/51/472959851.db2.gz AXNIICLGRZREFK-ZETCQYMHSA-N -1 1 339.642 2.740 20 30 EFEDMM C#CCOc1cccc(NC(=O)Cn2c(CCC)n[n-]c2=S)c1 ZINC000108289981 473011422 /nfs/dbraw/zinc/01/14/22/473011422.db2.gz NQNJYMPCPBRDEZ-UHFFFAOYSA-N -1 1 330.413 2.544 20 30 EFEDMM N#Cc1ccc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)cc1 ZINC000108592713 473044352 /nfs/dbraw/zinc/04/43/52/473044352.db2.gz BHFQTUSANVAQLX-UHFFFAOYSA-N -1 1 344.440 2.773 20 30 EFEDMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1F ZINC000066587898 473119023 /nfs/dbraw/zinc/11/90/23/473119023.db2.gz MPLCCFCSILKDSW-UHFFFAOYSA-N -1 1 349.343 2.676 20 30 EFEDMM C=CCC[C@@H](NC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000160773264 473173231 /nfs/dbraw/zinc/17/32/31/473173231.db2.gz CPVKMTZICVJTLX-OAHLLOKOSA-N -1 1 348.424 2.625 20 30 EFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114061364 473435871 /nfs/dbraw/zinc/43/58/71/473435871.db2.gz LTCOFSXSOSLODF-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccncc1 ZINC000125640857 473439247 /nfs/dbraw/zinc/43/92/47/473439247.db2.gz LGRBMEDDPMHACI-CQSZACIVSA-N -1 1 337.351 2.661 20 30 EFEDMM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc12 ZINC000185628847 473472619 /nfs/dbraw/zinc/47/26/19/473472619.db2.gz OIDDGWIMXGLOJN-UHFFFAOYSA-N -1 1 346.343 2.597 20 30 EFEDMM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc(-c2ccncc2)cs1 ZINC000114620500 473486751 /nfs/dbraw/zinc/48/67/51/473486751.db2.gz SXSGFEWBNKTYKQ-CQSZACIVSA-N -1 1 348.387 2.794 20 30 EFEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673828 473491648 /nfs/dbraw/zinc/49/16/48/473491648.db2.gz KXTANRHZRVSINB-UHFFFAOYSA-N -1 1 343.408 2.650 20 30 EFEDMM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000191466312 473543055 /nfs/dbraw/zinc/54/30/55/473543055.db2.gz VAMGVVKUJINZGX-ZDUSSCGKSA-N -1 1 339.370 2.754 20 30 EFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000152746740 473592620 /nfs/dbraw/zinc/59/26/20/473592620.db2.gz QEABZFKUPVVACN-LURJTMIESA-N -1 1 326.162 2.580 20 30 EFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000179025058 473614516 /nfs/dbraw/zinc/61/45/16/473614516.db2.gz ANKNQDJJSXLYIA-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM C=CCN(Cc1ccccc1F)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000179445497 473688362 /nfs/dbraw/zinc/68/83/62/473688362.db2.gz BSOWBXNZTWKDKR-UHFFFAOYSA-N -1 1 340.358 2.641 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1OC ZINC000193360932 473783903 /nfs/dbraw/zinc/78/39/03/473783903.db2.gz RXOUKQMGDBNFLZ-UHFFFAOYSA-N -1 1 332.381 2.571 20 30 EFEDMM CCOc1cc(C(=O)NC2(C#N)CCSCC2)cc(Cl)c1[O-] ZINC000186947482 473787259 /nfs/dbraw/zinc/78/72/59/473787259.db2.gz MDRLRAFXBMFXQD-UHFFFAOYSA-N -1 1 340.832 2.963 20 30 EFEDMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000187031174 473804734 /nfs/dbraw/zinc/80/47/34/473804734.db2.gz LOHUOLSXFPEKTP-UHFFFAOYSA-N -1 1 336.344 2.515 20 30 EFEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187038609 473806046 /nfs/dbraw/zinc/80/60/46/473806046.db2.gz WDSCETARZPXHHT-UHFFFAOYSA-N -1 1 343.339 2.532 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)O[N-]C(=O)CCCc1ccccc1 ZINC000269463040 473818678 /nfs/dbraw/zinc/81/86/78/473818678.db2.gz YIZYIYJKBONDCS-MRXNPFEDSA-N -1 1 332.444 2.870 20 30 EFEDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000188091111 473979711 /nfs/dbraw/zinc/97/97/11/473979711.db2.gz XWLGAZMDIZRRSQ-UHFFFAOYSA-N -1 1 348.815 2.588 20 30 EFEDMM Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000188217523 474023531 /nfs/dbraw/zinc/02/35/31/474023531.db2.gz ZZQMDUDVQUMBJN-UHFFFAOYSA-N -1 1 337.379 2.558 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1[O-] ZINC000188241137 474029880 /nfs/dbraw/zinc/02/98/80/474029880.db2.gz JUVYLTVDNUGAOS-UHFFFAOYSA-N -1 1 325.349 2.910 20 30 EFEDMM Cc1nc2ccccc2n1CCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188257071 474036036 /nfs/dbraw/zinc/03/60/36/474036036.db2.gz CEKQARSGFJMWCU-UHFFFAOYSA-N -1 1 334.379 2.742 20 30 EFEDMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188605836 474139466 /nfs/dbraw/zinc/13/94/66/474139466.db2.gz AXVPRNRSFUOAAS-UHFFFAOYSA-N -1 1 327.409 2.871 20 30 EFEDMM C[C@@H](C#N)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000175166766 474151370 /nfs/dbraw/zinc/15/13/70/474151370.db2.gz ZMHRCGNHIMLGQG-ZETCQYMHSA-N -1 1 326.727 2.797 20 30 EFEDMM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188789268 474196893 /nfs/dbraw/zinc/19/68/93/474196893.db2.gz JOPGNLMEQIZPAC-LLVKDONJSA-N -1 1 326.327 2.794 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)cc1[O-] ZINC000188792896 474197986 /nfs/dbraw/zinc/19/79/86/474197986.db2.gz ACSLVXQJSJSTTL-INIZCTEOSA-N -1 1 326.327 2.696 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1[O-] ZINC000189069625 474280390 /nfs/dbraw/zinc/28/03/90/474280390.db2.gz 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ZINC000344645319 474772456 /nfs/dbraw/zinc/77/24/56/474772456.db2.gz OWTDNWMFLWFALT-ZDUSSCGKSA-N -1 1 343.408 2.894 20 30 EFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000321262185 474923535 /nfs/dbraw/zinc/92/35/35/474923535.db2.gz TZSBCKDACRCRIG-ZETCQYMHSA-N -1 1 330.258 2.660 20 30 EFEDMM CC#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000341060486 474929515 /nfs/dbraw/zinc/92/95/15/474929515.db2.gz GUVTVQZYDVNXQX-UHFFFAOYSA-N -1 1 342.420 2.583 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1C#N ZINC000323056570 474945819 /nfs/dbraw/zinc/94/58/19/474945819.db2.gz ITGMMSTWVNUWJX-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341079808 474951101 /nfs/dbraw/zinc/95/11/01/474951101.db2.gz HLQMBMSIDPFZED-IINYFYTJSA-N -1 1 333.812 2.739 20 30 EFEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1[O-] ZINC000329392528 475084968 /nfs/dbraw/zinc/08/49/68/475084968.db2.gz SEUCSDNHTSXNCV-QRVBRYPASA-N -1 1 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C#C[C@H](CC)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000491751096 478661458 /nfs/dbraw/zinc/66/14/58/478661458.db2.gz WFUVWYNAPLHDMV-SECBINFHSA-N -1 1 344.289 2.645 20 30 EFEDMM C#C[C@@H](CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000491780983 478675338 /nfs/dbraw/zinc/67/53/38/478675338.db2.gz JNURIIPITFWITG-HNNXBMFYSA-N -1 1 342.420 2.629 20 30 EFEDMM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1)NC(=O)OC(C)(C)C ZINC000496679770 478683011 /nfs/dbraw/zinc/68/30/11/478683011.db2.gz UENYNBNNQYJFAD-NWDGAFQWSA-N -1 1 347.415 2.685 20 30 EFEDMM C#C[C@@H](CC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000491806541 478689143 /nfs/dbraw/zinc/68/91/43/478689143.db2.gz RGOIZFLFZUKYPH-HNNXBMFYSA-N -1 1 342.420 2.629 20 30 EFEDMM Cc1cccnc1OC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000583814551 478948584 /nfs/dbraw/zinc/94/85/84/478948584.db2.gz BSPCZIHEYLUGNG-UHFFFAOYSA-N -1 1 337.379 2.651 20 30 EFEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC000556036743 479167987 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COc1ccc(C[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589184561 479492618 /nfs/dbraw/zinc/49/26/18/479492618.db2.gz NOGUTIMPVGCGSW-GFCCVEGCSA-N -1 1 340.379 2.642 20 30 EFEDMM C[C@]1(NC(=O)c2cc([O-])cc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000593878696 479494133 /nfs/dbraw/zinc/49/41/33/479494133.db2.gz GQPNIUSXWNZDTC-FQEVSTJZSA-N -1 1 335.407 2.658 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC(OCCCc3ccccc3)C2)c1 ZINC000589188481 479494352 /nfs/dbraw/zinc/49/43/52/479494352.db2.gz YYLIRWNALPAZIH-UHFFFAOYSA-N -1 1 336.391 2.738 20 30 EFEDMM COc1ccc(OC)c(CCCNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589196737 479495711 /nfs/dbraw/zinc/49/57/11/479495711.db2.gz WHMKHXXFRZQWBY-UHFFFAOYSA-N -1 1 340.379 2.644 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000589195059 479496520 /nfs/dbraw/zinc/49/65/20/479496520.db2.gz FOLJOXNFEKPOTO-MRXNPFEDSA-N -1 1 346.390 2.918 20 30 EFEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000589196103 479496552 /nfs/dbraw/zinc/49/65/52/479496552.db2.gz CUMDPKGTVCLMPG-LBPRGKRZSA-N -1 1 348.362 2.847 20 30 EFEDMM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000589663137 479557105 /nfs/dbraw/zinc/55/71/05/479557105.db2.gz SXRUDPIKQOMYFG-UHFFFAOYSA-N -1 1 334.375 2.960 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000589722340 479562066 /nfs/dbraw/zinc/56/20/66/479562066.db2.gz GZGHQDNALFNARM-CYBMUJFWSA-N -1 1 339.370 2.659 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000589722341 479563681 /nfs/dbraw/zinc/56/36/81/479563681.db2.gz GZGHQDNALFNARM-ZDUSSCGKSA-N -1 1 339.370 2.659 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000618893400 479626584 /nfs/dbraw/zinc/62/65/84/479626584.db2.gz UQTGZBBDNPEIAF-UHFFFAOYSA-N -1 1 340.354 2.839 20 30 EFEDMM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000590453714 479649932 /nfs/dbraw/zinc/64/99/32/479649932.db2.gz DGHPNXJFGWWPJB-CYBMUJFWSA-N -1 1 339.370 2.754 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000590458733 479650203 /nfs/dbraw/zinc/65/02/03/479650203.db2.gz ZKPWRCZZOJUMSO-QFYYESIMSA-N -1 1 328.393 2.758 20 30 EFEDMM COc1ccc(-c2cnc(NC(=O)c3cc([O-])cc(C#N)c3)n2C)cc1 ZINC000590535146 479657356 /nfs/dbraw/zinc/65/73/56/479657356.db2.gz YQMXEHZBFPQNKS-UHFFFAOYSA-N -1 1 348.362 2.925 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1[O-] ZINC000615428357 479673130 /nfs/dbraw/zinc/67/31/30/479673130.db2.gz PWLMYAANOPHZPL-AWEZNQCLSA-N -1 1 343.333 2.551 20 30 EFEDMM CCNC(=O)Nc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000619138477 479696709 /nfs/dbraw/zinc/69/67/09/479696709.db2.gz GZQULDPZAUNGQV-UHFFFAOYSA-N -1 1 338.367 2.966 20 30 EFEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000619462441 479800016 /nfs/dbraw/zinc/80/00/16/479800016.db2.gz VCNAZGDRWBAKCY-UHFFFAOYSA-N -1 1 343.408 2.536 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000619461824 479800259 /nfs/dbraw/zinc/80/02/59/479800259.db2.gz OVWRUDKEAZVYHB-UHFFFAOYSA-N -1 1 338.392 2.739 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000619463746 479801399 /nfs/dbraw/zinc/80/13/99/479801399.db2.gz WXORYQQJEZYFON-UHFFFAOYSA-N -1 1 338.392 2.944 20 30 EFEDMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619561165 479829119 /nfs/dbraw/zinc/82/91/19/479829119.db2.gz AEDVUJFYONNQQE-UHFFFAOYSA-N -1 1 338.367 2.918 20 30 EFEDMM C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616176351 479844056 /nfs/dbraw/zinc/84/40/56/479844056.db2.gz HKXQNCXMCVXAKJ-LIRRHRJNSA-N -1 1 335.407 2.514 20 30 EFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c(F)c1 ZINC000614080256 480181379 /nfs/dbraw/zinc/18/13/79/480181379.db2.gz XDOHESNOPYZFSN-MEBBXXQBSA-N -1 1 344.383 2.724 20 30 EFEDMM Cc1cccc(N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1C ZINC000614295557 480257447 /nfs/dbraw/zinc/25/74/47/480257447.db2.gz RCQMLRHMDPXTHE-UHFFFAOYSA-N -1 1 335.407 2.843 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccccc3F)C2)c1 ZINC000614298723 480257541 /nfs/dbraw/zinc/25/75/41/480257541.db2.gz ZPBIHQZQDHAJRN-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000614295502 480257687 /nfs/dbraw/zinc/25/76/87/480257687.db2.gz PDYRPICXKKGDFN-UHFFFAOYSA-N -1 1 349.390 2.755 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(OCC(F)F)c2)c1 ZINC000614298680 480258440 /nfs/dbraw/zinc/25/84/40/480258440.db2.gz YBFXYXPQOYYXOT-UHFFFAOYSA-N -1 1 332.306 2.838 20 30 EFEDMM Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000614300244 480259149 /nfs/dbraw/zinc/25/91/49/480259149.db2.gz AQMCWIKLOBQZIL-UHFFFAOYSA-N -1 1 346.390 2.996 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c1 ZINC000614357710 480280609 /nfs/dbraw/zinc/28/06/09/480280609.db2.gz DUZKLMMLILPJAU-UHFFFAOYSA-N -1 1 325.349 2.560 20 30 EFEDMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614357711 480281523 /nfs/dbraw/zinc/28/15/23/480281523.db2.gz DWZAJMZBHWMZFU-CYBMUJFWSA-N -1 1 347.378 2.678 20 30 EFEDMM CN(C)C(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Cl ZINC000614363083 480282573 /nfs/dbraw/zinc/28/25/73/480282573.db2.gz HAAFODRZXXFEMT-UHFFFAOYSA-N -1 1 343.770 2.871 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000614365801 480283827 /nfs/dbraw/zinc/28/38/27/480283827.db2.gz KVMWIZJEIARDSK-ZDUSSCGKSA-N -1 1 349.390 2.882 20 30 EFEDMM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000618273410 480598183 /nfs/dbraw/zinc/59/81/83/480598183.db2.gz ZEOBFZQNLVTWPN-SFHVURJKSA-N -1 1 330.384 2.602 20 30 EFEDMM C=CCn1c(C)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000669812966 481319151 /nfs/dbraw/zinc/31/91/51/481319151.db2.gz OCNGVIHPPJOWKR-UHFFFAOYSA-N -1 1 326.400 2.577 20 30 EFEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc(C2CC2)cs1 ZINC000647375818 481791800 /nfs/dbraw/zinc/79/18/00/481791800.db2.gz GIZURCXVBBYYGI-ZDUSSCGKSA-N -1 1 340.408 2.679 20 30 EFEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000057498025 519713113 /nfs/dbraw/zinc/71/31/13/519713113.db2.gz KVRSVUWSOUKHLG-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000074008691 519744850 /nfs/dbraw/zinc/74/48/50/519744850.db2.gz WTFKQGYSSRSNRC-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000063442352 520041220 /nfs/dbraw/zinc/04/12/20/520041220.db2.gz RRWUTQVXULNRDB-UHFFFAOYSA-N -1 1 346.408 2.774 20 30 EFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C#N)c1 ZINC000063482662 520543849 /nfs/dbraw/zinc/54/38/49/520543849.db2.gz VLWVHSWAZUPMPD-UHFFFAOYSA-N -1 1 343.408 2.962 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000362585448 534501483 /nfs/dbraw/zinc/50/14/83/534501483.db2.gz CGOYQTRCUUGUFU-CYBMUJFWSA-N -1 1 330.409 2.792 20 30 EFEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000064467783 521216644 /nfs/dbraw/zinc/21/66/44/521216644.db2.gz QRDRFXWYTFUNKF-UHFFFAOYSA-N -1 1 329.381 2.708 20 30 EFEDMM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000288520627 534555082 /nfs/dbraw/zinc/55/50/82/534555082.db2.gz GJSZSDQEQUSKMC-UHFFFAOYSA-N -1 1 335.429 2.928 20 30 EFEDMM C=C[C@@](C)(CCOC)C(=O)Nc1nc(Br)ccc1[O-] ZINC000194575390 534620077 /nfs/dbraw/zinc/62/00/77/534620077.db2.gz GJQAZRVSPKRRNL-ZDUSSCGKSA-N -1 1 329.194 2.717 20 30 EFEDMM CN(C)c1nc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2o1 ZINC000150959127 522336275 /nfs/dbraw/zinc/33/62/75/522336275.db2.gz DMEOBTYVKBCRQW-UHFFFAOYSA-N -1 1 342.380 2.566 20 30 EFEDMM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120571270 524827353 /nfs/dbraw/zinc/82/73/53/524827353.db2.gz PJHUESVPTMVOTE-UHFFFAOYSA-N -1 1 335.316 2.715 20 30 EFEDMM N#Cc1ccccc1N1CCCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000154862221 534816278 /nfs/dbraw/zinc/81/62/78/534816278.db2.gz NSJZRJVFPYTKIZ-UHFFFAOYSA-N -1 1 339.370 2.755 20 30 EFEDMM C=CCN1C(=O)N[C@@H](c2ccc([O-])c(Cl)c2)C(C(=O)N(C)C)=C1C ZINC000299300300 534845996 /nfs/dbraw/zinc/84/59/96/534845996.db2.gz QABFDWLMPAOVQJ-HNNXBMFYSA-N -1 1 349.818 2.660 20 30 EFEDMM COc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1OC(C)C ZINC000023162674 525763230 /nfs/dbraw/zinc/76/32/30/525763230.db2.gz XNGAUPBHRUPSQO-KBOKABMXSA-N -1 1 344.363 2.711 20 30 EFEDMM CCC(CC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000346462363 535080641 /nfs/dbraw/zinc/08/06/41/535080641.db2.gz OZCDXXFNQSJHPX-UHFFFAOYSA-N -1 1 349.225 2.927 20 30 EFEDMM CC(C)(NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nn[n-]n1 ZINC000359782146 535242227 /nfs/dbraw/zinc/24/22/27/535242227.db2.gz GNELJJXPGHFSJJ-UHFFFAOYSA-N -1 1 348.366 2.529 20 30 EFEDMM C=CCCOCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000673119866 547861256 /nfs/dbraw/zinc/86/12/56/547861256.db2.gz GXYMTGUHNOQJSZ-UHFFFAOYSA-N -1 1 346.427 2.986 20 30 EFEDMM CC(C)Cc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000755893666 575650559 /nfs/dbraw/zinc/65/05/59/575650559.db2.gz XVDVSPYURCMYHB-UHFFFAOYSA-N -1 1 341.436 2.958 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc([S@](C)=O)cc1 ZINC000756899019 575798468 /nfs/dbraw/zinc/79/84/68/575798468.db2.gz LRZUWDJSHANOGA-DEOSSOPVSA-N -1 1 346.408 2.967 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cccc2c1OCCO2 ZINC000756901674 575798814 /nfs/dbraw/zinc/79/88/14/575798814.db2.gz VUDDFOQKWPVKKQ-UHFFFAOYSA-N -1 1 328.324 2.611 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cccc3c2OCCO3)c1 ZINC000757471335 575840232 /nfs/dbraw/zinc/84/02/32/575840232.db2.gz ATNLGKYWCGLPRD-XQRVVYSFSA-N -1 1 326.304 2.758 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc(OC)c1O ZINC000757474483 575840327 /nfs/dbraw/zinc/84/03/27/575840327.db2.gz UBXYVUJRYJCMCR-HYXAFXHYSA-N -1 1 344.319 2.709 20 30 EFEDMM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(O)cc2O)c1)C(=O)[O-] ZINC000757473408 575840332 /nfs/dbraw/zinc/84/03/32/575840332.db2.gz XCZLCYVFLQDWJS-AYLMVEPYSA-N -1 1 328.320 2.846 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc2ccccc2s1 ZINC000758120393 575860254 /nfs/dbraw/zinc/86/02/54/575860254.db2.gz WSKNBPDDTODKEP-SNVBAGLBSA-N -1 1 344.421 2.602 20 30 EFEDMM C=C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccccc1 ZINC000758918806 575880077 /nfs/dbraw/zinc/88/00/77/575880077.db2.gz BZHRADXVBFYUPL-HNNXBMFYSA-N -1 1 337.375 2.846 20 30 EFEDMM O=C(/C=C\c1cc(O)ccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000759088482 575884322 /nfs/dbraw/zinc/88/43/22/575884322.db2.gz AIKWJYMZCWDLKF-KTAJNNJTSA-N -1 1 330.252 2.810 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000759180442 575886377 /nfs/dbraw/zinc/88/63/77/575886377.db2.gz ZPQRZUZYTSHTIO-UHFFFAOYSA-N -1 1 325.372 2.556 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2cccc(Cl)c2F)c2ccccc21 ZINC000759652686 575915757 /nfs/dbraw/zinc/91/57/57/575915757.db2.gz JQOAHUXEDWLSFJ-UHFFFAOYSA-N -1 1 337.763 2.552 20 30 EFEDMM CC(C)CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccn1 ZINC000760243402 575994353 /nfs/dbraw/zinc/99/43/53/575994353.db2.gz SOXJHZLKMLOPEJ-UHFFFAOYSA-N -1 1 342.424 2.571 20 30 EFEDMM N#CC(=C([O-])c1cc(OCc2ccccc2)ccn1)c1ccncn1 ZINC000760342800 576007964 /nfs/dbraw/zinc/00/79/64/576007964.db2.gz ZTHIXCYZMCUTGS-INIZCTEOSA-N -1 1 330.347 2.941 20 30 EFEDMM C#CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000761075153 576109321 /nfs/dbraw/zinc/10/93/21/576109321.db2.gz NSXGMJPMGJOFJV-UHFFFAOYSA-N -1 1 343.404 2.976 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C(F)(F)F)s2)c(=O)o1 ZINC000761473897 576167497 /nfs/dbraw/zinc/16/74/97/576167497.db2.gz IXPWWXWBFYSPLA-KMOQFTEPSA-N -1 1 330.283 2.995 20 30 EFEDMM C=CCN(CC(=O)OCC)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000762624661 576319345 /nfs/dbraw/zinc/31/93/45/576319345.db2.gz BUCWHQUKACZMET-UHFFFAOYSA-N -1 1 341.791 2.636 20 30 EFEDMM C#C[C@H](CCC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764807507 576506062 /nfs/dbraw/zinc/50/60/62/576506062.db2.gz NQMNYRAYLOTBEH-LLVKDONJSA-N -1 1 325.206 2.756 20 30 EFEDMM C=CCN1C(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc32)SC1=S ZINC000765498491 577047169 /nfs/dbraw/zinc/04/71/69/577047169.db2.gz DIDZXSWMXSSVRI-GHXNOFRVSA-N -1 1 345.405 2.648 20 30 EFEDMM CCOc1ccc(C(C)=NNc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000765584473 577056575 /nfs/dbraw/zinc/05/65/75/577056575.db2.gz OIYQJQLBYWLBRG-UHFFFAOYSA-N -1 1 344.327 2.923 20 30 EFEDMM COc1cc(F)cc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)c1 ZINC000765583482 577056665 /nfs/dbraw/zinc/05/66/65/577056665.db2.gz IHZJOMIVFPKOSJ-UHFFFAOYSA-N -1 1 328.303 2.855 20 30 EFEDMM N#Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751124 577072557 /nfs/dbraw/zinc/07/25/57/577072557.db2.gz OXQYHCUDIOUDGL-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000766548280 577165033 /nfs/dbraw/zinc/16/50/33/577165033.db2.gz QLNJBMCPTYLZQD-UHFFFAOYSA-N -1 1 345.380 2.846 20 30 EFEDMM CC1(c2ccccc2)CCC(N=Nc2nc3[nH][n-]cc-3c(=O)n2)CC1 ZINC000766699673 577177904 /nfs/dbraw/zinc/17/79/04/577177904.db2.gz KQVITASENVIIBF-UHFFFAOYSA-N -1 1 336.399 2.732 20 30 EFEDMM CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc([O-])c(Cl)c1 ZINC000768763416 577299701 /nfs/dbraw/zinc/29/97/01/577299701.db2.gz GDCVOARMINZSCZ-UHFFFAOYSA-N -1 1 339.804 2.529 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000768843342 577308546 /nfs/dbraw/zinc/30/85/46/577308546.db2.gz JLFXOXBDLCSSJJ-VIFPVBQESA-N -1 1 337.382 2.567 20 30 EFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21 ZINC000726733192 577382511 /nfs/dbraw/zinc/38/25/11/577382511.db2.gz RFPVILZYZLSJBD-CQSZACIVSA-N -1 1 348.362 2.841 20 30 EFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000769816688 577387435 /nfs/dbraw/zinc/38/74/35/577387435.db2.gz FZLYYBJMHVKTED-UHFFFAOYSA-N -1 1 348.313 2.506 20 30 EFEDMM CN1CCN(c2ccc(C=[NH+][N-]c3ccccc3C(=O)[O-])cc2)CC1 ZINC000771549364 581221926 /nfs/dbraw/zinc/22/19/26/581221926.db2.gz BHLNTXOZEVPAOM-UHFFFAOYSA-N -1 1 338.411 2.583 20 30 EFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000773055773 581391582 /nfs/dbraw/zinc/39/15/82/581391582.db2.gz JTQHCKIDPVIAPI-YUMQZZPRSA-N -1 1 340.253 2.514 20 30 EFEDMM CC(N=Nc1ccccc1S(N)(=O)=O)c1ccc([O-])c(Cl)c1 ZINC000773124877 581399176 /nfs/dbraw/zinc/39/91/76/581399176.db2.gz HTZAJUNWNRTGTI-UHFFFAOYSA-N -1 1 339.804 2.529 20 30 EFEDMM Brc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000819687976 599336133 /nfs/dbraw/zinc/33/61/33/599336133.db2.gz AAQVBWMXPQBTOH-UHFFFAOYSA-N -1 1 333.149 2.668 20 30 EFEDMM Brc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000819687976 599336135 /nfs/dbraw/zinc/33/61/35/599336135.db2.gz AAQVBWMXPQBTOH-UHFFFAOYSA-N -1 1 333.149 2.668 20 30 EFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000819855408 597641164 /nfs/dbraw/zinc/64/11/64/597641164.db2.gz BWUXHTHFHKWINP-KRWDZBQOSA-N -1 1 326.356 2.773 20 30 EFEDMM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)cc1C(F)(F)F ZINC000822833380 599340063 /nfs/dbraw/zinc/34/00/63/599340063.db2.gz PFROZFAYSGLGAA-UHFFFAOYSA-N -1 1 347.260 2.796 20 30 EFEDMM N#Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)cc1C(F)(F)F ZINC000822833380 599340067 /nfs/dbraw/zinc/34/00/67/599340067.db2.gz PFROZFAYSGLGAA-UHFFFAOYSA-N -1 1 347.260 2.796 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC000739129348 600103992 /nfs/dbraw/zinc/10/39/92/600103992.db2.gz VWLYVVMWFNXAIQ-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM N#Cc1ccc(-c2ccn(CN3CCC4(C[C@H]4C(=O)[O-])CC3)n2)cc1 ZINC000739101160 600278823 /nfs/dbraw/zinc/27/88/23/600278823.db2.gz CIFCGOKQSGIKME-INIZCTEOSA-N -1 1 336.395 2.566 20 30 EFEDMM C[C@H](CN(C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736570282 600506963 /nfs/dbraw/zinc/50/69/63/600506963.db2.gz CNQRPFNHWHDVBH-VGSSETLESA-N -1 1 330.428 2.520 20 30 EFEDMM CC[C@@](C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736864775 600563880 /nfs/dbraw/zinc/56/38/80/600563880.db2.gz XFKBGQYBMKLOSS-QGZVFWFLSA-N -1 1 349.456 2.670 20 30 EFEDMM COc1ccc([O-])c(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821837292 607459420 /nfs/dbraw/zinc/45/94/20/607459420.db2.gz CGXXPPNLJPUOQZ-GQCTYLIASA-N -1 1 340.314 2.616 20 30 EFEDMM N#Cc1ccc([C@@H](N[C@H](Cn2cccn2)c2ccccc2)C(=O)[O-])cc1 ZINC000739108694 600799907 /nfs/dbraw/zinc/79/99/07/600799907.db2.gz WHKUJPOJWQBFBW-RTBURBONSA-N -1 1 346.390 2.912 20 30 EFEDMM N#CCSCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833068037 600821816 /nfs/dbraw/zinc/82/18/16/600821816.db2.gz NUCVMYLCEYAMBV-UHFFFAOYSA-N -1 1 328.821 2.579 20 30 EFEDMM N#CCSCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833068037 600821817 /nfs/dbraw/zinc/82/18/17/600821817.db2.gz NUCVMYLCEYAMBV-UHFFFAOYSA-N -1 1 328.821 2.579 20 30 EFEDMM NC(=NOCc1occc1C(=O)[O-])c1ccc(N2CCCCC2)cc1 ZINC000833078806 601056489 /nfs/dbraw/zinc/05/64/89/601056489.db2.gz RJFCDTUFCOWDCL-UHFFFAOYSA-N -1 1 343.383 2.805 20 30 EFEDMM CCC1CCC(NCC(=O)N(C)C2(C#N)CCCCC2)(C(=O)[O-])CC1 ZINC000829101030 601495229 /nfs/dbraw/zinc/49/52/29/601495229.db2.gz HVPFNUBVVAFHLF-UHFFFAOYSA-N -1 1 349.475 2.684 20 30 EFEDMM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1)C(=O)[O-] ZINC000794701162 602112388 /nfs/dbraw/zinc/11/23/88/602112388.db2.gz LDMCVRQCFWKXNI-VKJYCEFSSA-N -1 1 328.320 2.846 20 30 EFEDMM C#CCOc1ccccc1CNCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833366961 605095100 /nfs/dbraw/zinc/09/51/00/605095100.db2.gz MTWCXULRDMKWJQ-OAHLLOKOSA-N -1 1 339.391 2.840 20 30 EFEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(NS(C)(=O)=O)cc1 ZINC000747042955 605098196 /nfs/dbraw/zinc/09/81/96/605098196.db2.gz UXWLKKAYKLEGSL-UHFFFAOYSA-N -1 1 347.396 2.592 20 30 EFEDMM CC(=NNc1ccccc1C(=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000729815938 605099785 /nfs/dbraw/zinc/09/97/85/605099785.db2.gz BFLWDTIFOBMHSF-UHFFFAOYSA-N -1 1 347.396 2.592 20 30 EFEDMM COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833733867 605127949 /nfs/dbraw/zinc/12/79/49/605127949.db2.gz UITSEUNWKCHBIU-NSHDSACASA-N -1 1 326.352 2.821 20 30 EFEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833376505 605321160 /nfs/dbraw/zinc/32/11/60/605321160.db2.gz XROJRHGWHJWIBI-HNNXBMFYSA-N -1 1 332.356 2.730 20 30 EFEDMM C=CCn1c(=O)[nH]nc1S[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833380507 605336936 /nfs/dbraw/zinc/33/69/36/605336936.db2.gz IDXPFYCBYPSGNC-JTQLQIEISA-N -1 1 343.767 2.880 20 30 EFEDMM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821877881 606390294 /nfs/dbraw/zinc/39/02/94/606390294.db2.gz YFOZPTUJCDCMJQ-VQHVLOKHSA-N -1 1 340.364 2.596 20 30 EFEDMM CC(C)CCN(CCC#N)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824248984 608191921 /nfs/dbraw/zinc/19/19/21/608191921.db2.gz FYNIHZYTFDSLRY-UHFFFAOYSA-N -1 1 325.829 2.743 20 30 EFEDMM CC(C)CCN(CCC#N)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824248984 608191923 /nfs/dbraw/zinc/19/19/23/608191923.db2.gz FYNIHZYTFDSLRY-UHFFFAOYSA-N -1 1 325.829 2.743 20 30 EFEDMM Cc1ccncc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000823961899 608217736 /nfs/dbraw/zinc/21/77/36/608217736.db2.gz BOGBUKXLXWUYQH-UHFFFAOYSA-N -1 1 340.391 2.593 20 30 EFEDMM CCc1cccnc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825728353 609516918 /nfs/dbraw/zinc/51/69/18/609516918.db2.gz NJGJSIHZRMVMDE-UHFFFAOYSA-N -1 1 340.391 2.772 20 30 EFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc2c[nH]nc21 ZINC000129955458 1251816620 /nfs/dbraw/zinc/81/66/20/1251816620.db2.gz WOFGIZWPTZCUJW-ZDUSSCGKSA-N -1 1 334.335 2.533 20 30 EFEDMM CC(C)CN1N=C(C([O-])=C(C#N)c2nc(C3CC3)cs2)CCC1=O ZINC000842944721 1257092335 /nfs/dbraw/zinc/09/23/35/1257092335.db2.gz MRGGDSWZXNJQIC-LBPRGKRZSA-N -1 1 344.440 2.831 20 30 EFEDMM C#CCN1CC[C@]2(CCC[N@H+](Cc3cc(F)c([O-])c(F)c3)CC2)C1=O ZINC001272782794 1258013642 /nfs/dbraw/zinc/01/36/42/1258013642.db2.gz NPMDXMHOOSUTCK-LJQANCHMSA-N -1 1 348.393 2.508 20 30 EFEDMM C=C[C@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062150481 1260181285 /nfs/dbraw/zinc/18/12/85/1260181285.db2.gz MHFKMUTXRDOYHS-HUUCEWRRSA-N -1 1 345.443 2.500 20 30 EFEDMM COc1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC000730149742 1264215783 /nfs/dbraw/zinc/21/57/83/1264215783.db2.gz KDQWUTSBUGJYLP-IHWYPQMZSA-N -1 1 349.320 2.965 20 30 EFEDMM O=c1[nH]ncc(NN=Cc2ccc([O-])c(Br)c2)c1Cl ZINC000730568191 1264380294 /nfs/dbraw/zinc/38/02/94/1264380294.db2.gz PDEOAPOPLIZOEJ-UHFFFAOYSA-N -1 1 343.568 2.750 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000730996479 1264508516 /nfs/dbraw/zinc/50/85/16/1264508516.db2.gz SIUNTQUKJFADLZ-ZDUSSCGKSA-N -1 1 343.404 2.823 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000730995610 1264509417 /nfs/dbraw/zinc/50/94/17/1264509417.db2.gz HCEOASZANYMTBS-UHFFFAOYSA-N -1 1 329.377 2.530 20 30 EFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1cccc(OCC(=O)[O-])c1 ZINC000733203756 1265111021 /nfs/dbraw/zinc/11/10/21/1265111021.db2.gz YXTRIIQTSBPICO-UHFFFAOYSA-N -1 1 345.311 2.513 20 30 EFEDMM O=c1nc(C=N[O-])ccn1Cc1ccc(Br)cc1Cl ZINC000736302564 1267573181 /nfs/dbraw/zinc/57/31/81/1267573181.db2.gz MZXWCVGXZPQTME-UHFFFAOYSA-N -1 1 342.580 2.516 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000736342461 1267581488 /nfs/dbraw/zinc/58/14/88/1267581488.db2.gz TXCWDCHMNSDRBL-UHFFFAOYSA-N -1 1 328.590 2.619 20 30 EFEDMM N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374685 1269154740 /nfs/dbraw/zinc/15/47/40/1269154740.db2.gz PIBPJRJWGVNTDG-GOSISDBHSA-N -1 1 349.381 2.541 20 30 EFEDMM C=CCN1CC[C@]2(CCCN2Cc2ccc(Cl)cc2C(=O)[O-])C1=O ZINC001273383716 1269452024 /nfs/dbraw/zinc/45/20/24/1269452024.db2.gz YSZVSYOYKIOATB-GOSISDBHSA-N -1 1 348.830 2.791 20 30 EFEDMM CC(C)CO[C@@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1(C)C ZINC000737428582 1269465674 /nfs/dbraw/zinc/46/56/74/1269465674.db2.gz ARULKABDLGYCIZ-OAHLLOKOSA-N -1 1 349.456 2.552 20 30 EFEDMM O=c1nc(N=NC2CCC[C@@H]2c2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC000741464688 1269540864 /nfs/dbraw/zinc/54/08/64/1269540864.db2.gz SGMKYLYUQFEHFF-LLVKDONJSA-N -1 1 342.790 2.821 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000743344362 1270527173 /nfs/dbraw/zinc/52/71/73/1270527173.db2.gz PWFMFXVYESZEBV-SNVBAGLBSA-N -1 1 349.343 2.645 20 30 EFEDMM O=S(=O)(CCc1ccccc1)NN=Cc1ccc([O-])c(Cl)c1 ZINC000743449409 1270583813 /nfs/dbraw/zinc/58/38/13/1270583813.db2.gz VPUCGFJWEYDXCD-UHFFFAOYSA-N -1 1 338.816 2.542 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2Cc3ccc(Cl)cc3C2)c2ccccc21 ZINC000743436027 1270588678 /nfs/dbraw/zinc/58/86/78/1270588678.db2.gz RTLKOZGSEQSPBH-UHFFFAOYSA-N -1 1 345.811 2.533 20 30 EFEDMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000843933779 1278686707 /nfs/dbraw/zinc/68/67/07/1278686707.db2.gz GQRJWMMDACGMOA-NEPJUHHUSA-N -1 1 347.415 2.685 20 30 EFEDMM C[C@](C#N)(Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC001169388143 1272890804 /nfs/dbraw/zinc/89/08/04/1272890804.db2.gz FKTSCWHPEJWOOZ-OAHLLOKOSA-N -1 1 325.763 2.766 20 30 EFEDMM C[C@](C#N)(Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC001169388143 1272890815 /nfs/dbraw/zinc/89/08/15/1272890815.db2.gz FKTSCWHPEJWOOZ-OAHLLOKOSA-N -1 1 325.763 2.766 20 30 EFEDMM CC(=O)c1cc(C#N)ccc1NC(=O)c1cnc2ccccc2c1[O-] ZINC001129070355 1273622426 /nfs/dbraw/zinc/62/24/26/1273622426.db2.gz SDOIPQATNAQVMM-UHFFFAOYSA-N -1 1 331.331 2.855 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OCC#N)c2)cc1F ZINC000785488557 1275098083 /nfs/dbraw/zinc/09/80/83/1275098083.db2.gz NXFLSTDXTZOJAG-UHFFFAOYSA-N -1 1 348.355 2.615 20 30 EFEDMM C#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000785514850 1275106213 /nfs/dbraw/zinc/10/62/13/1275106213.db2.gz RDVBYEVDKITEQA-UHFFFAOYSA-N -1 1 343.404 2.894 20 30 EFEDMM N#Cc1ccc(-c2ccccc2)nc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170222414 1278930431 /nfs/dbraw/zinc/93/04/31/1278930431.db2.gz CPLTVWBTYBNAOO-UHFFFAOYSA-N -1 1 329.323 2.736 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)cc1[O-] ZINC000787826134 1275930453 /nfs/dbraw/zinc/93/04/53/1275930453.db2.gz SITITAUBSNXDQW-OAHLLOKOSA-N -1 1 334.734 2.520 20 30 EFEDMM CO/N=C/c1cc(NCC(=O)c2ccc([O-])c(O)c2)cc(F)c1F ZINC001170321011 1279015420 /nfs/dbraw/zinc/01/54/20/1279015420.db2.gz UZQFTUMQUOOVFJ-IFRROFPPSA-N -1 1 336.294 2.651 20 30 EFEDMM C[C@H](C=Nn1c(=O)cn[n-]c1=S)c1ccc(C(F)(F)F)cc1 ZINC000789055645 1276498522 /nfs/dbraw/zinc/49/85/22/1276498522.db2.gz YWMINLLLSGCYSB-MRVPVSSYSA-N -1 1 328.319 2.583 20 30 EFEDMM 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CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H](O)c1c(F)cccc1F ZINC000809752072 1282455631 /nfs/dbraw/zinc/45/56/31/1282455631.db2.gz MXSADHVMMRUYAY-DOTOQJQBSA-N -1 1 346.333 2.784 20 30 EFEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809841205 1282500936 /nfs/dbraw/zinc/50/09/36/1282500936.db2.gz ZYXDGQMXVUVVKF-ZETCQYMHSA-N -1 1 337.184 2.592 20 30 EFEDMM C#Cc1ccccc1CC(=O)Nc1nc(Br)ccc1[O-] ZINC000810666886 1283471798 /nfs/dbraw/zinc/47/17/98/1283471798.db2.gz WZGXGDHTSXZNKL-UHFFFAOYSA-N -1 1 331.169 2.712 20 30 EFEDMM C=CCCCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000811010249 1283945350 /nfs/dbraw/zinc/94/53/50/1283945350.db2.gz OHMGXNMJTPNOHM-UHFFFAOYSA-N -1 1 329.418 2.870 20 30 EFEDMM [O-]c1c(O)cc(C=NNC[C@@H]2CCSC2)cc1Br ZINC000811657987 1284463719 /nfs/dbraw/zinc/46/37/19/1284463719.db2.gz UPTSKAQTXJMCQW-QMMMGPOBSA-N -1 1 331.235 2.537 20 30 EFEDMM CN(C)c1nccc(N=NC2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC000811643360 1284475358 /nfs/dbraw/zinc/47/53/58/1284475358.db2.gz 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O=c1nc(N=NC2CCCC[C@H]2C2CCCCC2)nc2[nH][n-]cc1-2 ZINC000814843584 1287092618 /nfs/dbraw/zinc/09/26/18/1287092618.db2.gz ZMQYSVQNKRAPHZ-LBPRGKRZSA-N -1 1 328.420 2.970 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC(c2ccccc2)C1 ZINC000814865476 1287108107 /nfs/dbraw/zinc/10/81/07/1287108107.db2.gz SMLWUWDHRCHYOR-UHFFFAOYSA-N -1 1 345.380 2.807 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCC12CCCC2 ZINC000814865168 1287108260 /nfs/dbraw/zinc/10/82/60/1287108260.db2.gz OCOJQZYNCPYVMA-UHFFFAOYSA-N -1 1 337.401 2.973 20 30 EFEDMM CCOC(=O)c1cnc(N=NCc2cccc([O-])c2Cl)nc1C ZINC000814894104 1287136156 /nfs/dbraw/zinc/13/61/56/1287136156.db2.gz DKWDZUNIZUSQOG-UHFFFAOYSA-N -1 1 334.763 2.767 20 30 EFEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000815976853 1287921341 /nfs/dbraw/zinc/92/13/41/1287921341.db2.gz XZEKAYDXIOYEBS-GFCCVEGCSA-N -1 1 346.736 2.912 20 30 EFEDMM C=CCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489864 1288616235 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CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1cc(C#N)ccc1[O-] ZINC001232678435 1312759602 /nfs/dbraw/zinc/75/96/02/1312759602.db2.gz ZDVJLMRNBVZXFU-HOTGVXAUSA-N -1 1 343.427 2.848 20 30 EFEDMM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232680921 1312760574 /nfs/dbraw/zinc/76/05/74/1312760574.db2.gz IVEUDPMIUUMIQM-SFHVURJKSA-N -1 1 349.406 2.703 20 30 EFEDMM C=C(CC(=O)OCCCC)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001184306850 1290445049 /nfs/dbraw/zinc/44/50/49/1290445049.db2.gz HQGKYNFGWWGOHE-UHFFFAOYSA-N -1 1 343.383 2.806 20 30 EFEDMM Cc1cccc(N2CC[C@@H](C(=O)Nc3ccc(C#N)cc3[O-])C2=O)c1 ZINC001184628424 1290484440 /nfs/dbraw/zinc/48/44/40/1290484440.db2.gz XCOBPJPAFZQSMQ-HNNXBMFYSA-N -1 1 335.363 2.564 20 30 EFEDMM C[C@@]12CCN(C(=O)c3cc([O-])cc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000803553274 1312795144 /nfs/dbraw/zinc/79/51/44/1312795144.db2.gz SAVGJKDGKRCBPH-GXTWGEPZSA-N -1 1 325.195 2.920 20 30 EFEDMM N#Cc1ccc(-c2noc(-c3cnc(-c4ccccc4)[n-]c3=O)n2)nc1 ZINC001212895498 1290640663 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N#Cc1cc(NC(=O)Nc2cc(F)cc3c2OCOC3)ccc1[O-] ZINC001188872288 1291484835 /nfs/dbraw/zinc/48/48/35/1291484835.db2.gz OCUQHOLFEYSCLM-UHFFFAOYSA-N -1 1 329.287 2.913 20 30 EFEDMM N#Cc1cccc([O-])c1NC(=O)Nc1cc(F)cc2c1OCOC2 ZINC001188872181 1291485357 /nfs/dbraw/zinc/48/53/57/1291485357.db2.gz MFANMGVXWRTVBH-UHFFFAOYSA-N -1 1 329.287 2.913 20 30 EFEDMM Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc(C#C[Si](C)(C)C)cc3)c1-2 ZINC001189162474 1291594668 /nfs/dbraw/zinc/59/46/68/1291594668.db2.gz CNRUBXMRJCAZQJ-UHFFFAOYSA-N -1 1 349.470 2.516 20 30 EFEDMM N#CCC1(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC000878724001 1291767943 /nfs/dbraw/zinc/76/79/43/1291767943.db2.gz XRXWPDNKTVHAQO-ZDUSSCGKSA-N -1 1 337.345 2.790 20 30 EFEDMM C#CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000775295383 1291822272 /nfs/dbraw/zinc/82/22/72/1291822272.db2.gz HLMXFHXTYAEZNY-UHFFFAOYSA-N -1 1 345.376 2.506 20 30 EFEDMM O=S(=O)([N-]CC(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 ZINC001189948910 1291943859 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C=CCC1(S(=O)(=O)[N-]c2cc(F)c(C(=O)OC)c(F)c2)CC1 ZINC001190815167 1292324347 /nfs/dbraw/zinc/32/43/47/1292324347.db2.gz ZKYOTWJBDTXUJX-UHFFFAOYSA-N -1 1 331.340 2.602 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(O)cc2Cl)c1 ZINC001190942402 1292379898 /nfs/dbraw/zinc/37/98/98/1292379898.db2.gz FSMZCASPZYKFMB-UHFFFAOYSA-N -1 1 344.179 2.766 20 30 EFEDMM N#CC12CCC([N-]S(=O)(=O)C(Cl)(Cl)Cl)(CC1)CC2 ZINC001192050216 1292746481 /nfs/dbraw/zinc/74/64/81/1292746481.db2.gz RLQZYVCDAYXPNF-UHFFFAOYSA-N -1 1 331.652 2.850 20 30 EFEDMM N#Cc1ccc([N-]C(=O)c2nc(Cc3ccccc3)no2)c(C#N)c1 ZINC001192276800 1292852811 /nfs/dbraw/zinc/85/28/11/1292852811.db2.gz RMUUJFAJCDOUAV-UHFFFAOYSA-N -1 1 329.319 2.656 20 30 EFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882068677 1293089916 /nfs/dbraw/zinc/08/99/16/1293089916.db2.gz ABJJMUNQUHGHTG-SSDOTTSWSA-N -1 1 341.742 2.724 20 30 EFEDMM Cc1cccc(-n2nc(C(C)(C)C)cc2[N-]S(=O)(=O)CC#N)c1 ZINC001192943264 1293105738 /nfs/dbraw/zinc/10/57/38/1293105738.db2.gz NCJOBBJTSYAIGM-UHFFFAOYSA-N -1 1 332.429 2.744 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2cc(Br)cnc2c1 ZINC001193097766 1293166995 /nfs/dbraw/zinc/16/69/95/1293166995.db2.gz RUSUSBQGUHKWKK-MRVPVSSYSA-N -1 1 340.202 2.651 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001193106510 1293171809 /nfs/dbraw/zinc/17/18/09/1293171809.db2.gz QXCZUNMPOIJQRA-LBPRGKRZSA-N -1 1 332.429 2.824 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(OC(F)(F)F)ccc1Cl ZINC001193150462 1293187038 /nfs/dbraw/zinc/18/70/38/1293187038.db2.gz YGLBFEOXOPCVSU-ZCFIWIBFSA-N -1 1 328.699 2.892 20 30 EFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c1 ZINC001193426321 1293303966 /nfs/dbraw/zinc/30/39/66/1293303966.db2.gz CJYNMAZIUVLUQQ-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2F)c1 ZINC001193681134 1293408114 /nfs/dbraw/zinc/40/81/14/1293408114.db2.gz REAIBDZIYBBDFD-UHFFFAOYSA-N -1 1 348.355 2.709 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccccc2N)cc(C(F)(F)F)c1 ZINC001193929253 1293479938 /nfs/dbraw/zinc/47/99/38/1293479938.db2.gz LZPMGKNBFKDOLF-UHFFFAOYSA-N -1 1 341.314 2.960 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2Cc2c(F)cc([O-])cc2F)C1=O ZINC001273671824 1293543956 /nfs/dbraw/zinc/54/39/56/1293543956.db2.gz SOMOVIITUGYPJL-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM C#C[C@H](Oc1cc(C(=O)OC)cc([O-])c1Br)C(C)C ZINC001233908978 1313016131 /nfs/dbraw/zinc/01/61/31/1313016131.db2.gz ZBWDAXOPWASZGX-NSHDSACASA-N -1 1 327.174 2.978 20 30 EFEDMM O=S(=O)([N-]CCCCCCS)c1ncccc1C(F)(F)F ZINC001194596861 1293675778 /nfs/dbraw/zinc/67/57/78/1293675778.db2.gz BTOMKVFPEPQGPG-UHFFFAOYSA-N -1 1 342.408 2.869 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)c(F)c1F ZINC001194978462 1293764912 /nfs/dbraw/zinc/76/49/12/1293764912.db2.gz BQXWBUPESRNAIJ-UHFFFAOYSA-N -1 1 346.318 2.580 20 30 EFEDMM N#Cc1cc2cccnc2nc1NC(=O)c1cc([O-])cnc1Cl ZINC001195297868 1293883543 /nfs/dbraw/zinc/88/35/43/1293883543.db2.gz JGPBIPSCHCCEQY-UHFFFAOYSA-N -1 1 325.715 2.508 20 30 EFEDMM C=CC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195443797 1293920757 /nfs/dbraw/zinc/92/07/57/1293920757.db2.gz PWVZNYUUTHZJHX-UHFFFAOYSA-N -1 1 328.590 2.706 20 30 EFEDMM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195505543 1293947078 /nfs/dbraw/zinc/94/70/78/1293947078.db2.gz SDEAFIWNUIBTOO-NSHDSACASA-N -1 1 335.198 2.559 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)c2cccnc12 ZINC001195811311 1294046064 /nfs/dbraw/zinc/04/60/64/1294046064.db2.gz YBUUIRFLDHSRHE-UHFFFAOYSA-N -1 1 325.349 2.613 20 30 EFEDMM N#Cc1cccc(-c2cc(O)cc(C(=O)N3CCc4nc[nH]c4C3)c2)c1 ZINC001196309044 1294185611 /nfs/dbraw/zinc/18/56/11/1294185611.db2.gz JXVKSKOSPDMMDR-UHFFFAOYSA-N -1 1 344.374 2.852 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCc4[nH]cnc4C3)c2)c1 ZINC001196309044 1294185613 /nfs/dbraw/zinc/18/56/13/1294185613.db2.gz JXVKSKOSPDMMDR-UHFFFAOYSA-N -1 1 344.374 2.852 20 30 EFEDMM Cn1cc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c(C#N)n1 ZINC001196309136 1294186488 /nfs/dbraw/zinc/18/64/88/1294186488.db2.gz NMQRHPRSSRAXHH-UHFFFAOYSA-N -1 1 343.346 2.788 20 30 EFEDMM Cn1cnc(CCNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c1 ZINC001196320573 1294196439 /nfs/dbraw/zinc/19/64/39/1294196439.db2.gz OTEAGCDQCJQFRY-UHFFFAOYSA-N -1 1 346.390 2.637 20 30 EFEDMM COC(C)(CNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)OC ZINC001196329964 1294198690 /nfs/dbraw/zinc/19/86/90/1294198690.db2.gz JFSVJCBMCHNOIT-UHFFFAOYSA-N -1 1 340.379 2.670 20 30 EFEDMM CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330645 1294198695 /nfs/dbraw/zinc/19/86/95/1294198695.db2.gz YNEPSUNEAOIBQY-ROUUACIJSA-N -1 1 336.391 2.820 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cnc1Cl ZINC000135368256 1294215198 /nfs/dbraw/zinc/21/51/98/1294215198.db2.gz DCGRJNAOTAXBQJ-UHFFFAOYSA-N -1 1 325.752 2.855 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)ccn1 ZINC001196414645 1294239174 /nfs/dbraw/zinc/23/91/74/1294239174.db2.gz SQIKWVWQWQEOCU-UHFFFAOYSA-N -1 1 343.795 2.983 20 30 EFEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC001197067098 1294452142 /nfs/dbraw/zinc/45/21/42/1294452142.db2.gz SCRSMGWDDQCYJS-JXMROGBWSA-N -1 1 342.376 2.545 20 30 EFEDMM CC1(C)CC(=O)C=C([N-]S(=O)(=O)Cc2c(F)cccc2F)C1 ZINC001197623251 1294620302 /nfs/dbraw/zinc/62/03/02/1294620302.db2.gz YQBRJFJOFDDUET-UHFFFAOYSA-N -1 1 329.368 2.657 20 30 EFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000136593417 1294677017 /nfs/dbraw/zinc/67/70/17/1294677017.db2.gz VMNAWPDEFQYLOR-CYBMUJFWSA-N -1 1 343.408 2.868 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2)c(=O)o1 ZINC000048520688 1294864675 /nfs/dbraw/zinc/86/46/75/1294864675.db2.gz UUHNHXIWFJXSJD-ZBKLQPJUSA-N -1 1 335.153 2.677 20 30 EFEDMM N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198154707 1294915147 /nfs/dbraw/zinc/91/51/47/1294915147.db2.gz WOFQVQOXYJQRHA-UHFFFAOYSA-N -1 1 344.783 2.956 20 30 EFEDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1F ZINC001198693975 1295180426 /nfs/dbraw/zinc/18/04/26/1295180426.db2.gz YRGDENFUCWELLQ-UHFFFAOYSA-N -1 1 341.751 2.555 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)c(C)c1 ZINC001198951510 1295383360 /nfs/dbraw/zinc/38/33/60/1295383360.db2.gz SOYNDWNBMKMMMV-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H](C)C#C[Si](C)(C)C ZINC001234562213 1313158734 /nfs/dbraw/zinc/15/87/34/1313158734.db2.gz XHYATXOGYLCWRE-LLVKDONJSA-N -1 1 336.464 2.740 20 30 EFEDMM COc1cccc(-n2cncc2C(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001199387830 1295491654 /nfs/dbraw/zinc/49/16/54/1295491654.db2.gz IGRBRICONKITFP-UHFFFAOYSA-N -1 1 334.335 2.710 20 30 EFEDMM C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=O)c(F)cc2C(=O)OC)C(C)(C)O1 ZINC001234607189 1313166926 /nfs/dbraw/zinc/16/69/26/1313166926.db2.gz ZEBTWYSHCPFEAY-SJCJKPOMSA-N -1 1 339.363 2.994 20 30 EFEDMM C#C[C@@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1c(O)cccc1O)O2 ZINC001234721692 1313186251 /nfs/dbraw/zinc/18/62/51/1313186251.db2.gz SBLBAIYELTUPCH-QGHHPUGFSA-N -1 1 340.331 2.910 20 30 EFEDMM CCOC(=O)C(=O)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001204839387 1313202040 /nfs/dbraw/zinc/20/20/40/1313202040.db2.gz OCXMMPAPFPNJES-FBKQIBBUSA-N -1 1 341.363 2.755 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2F)cc1C#N ZINC001201292777 1296687443 /nfs/dbraw/zinc/68/74/43/1296687443.db2.gz LYDRMMRZPGTCFV-UHFFFAOYSA-N -1 1 325.752 2.855 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(OC(F)F)c2)cc1C#N ZINC001201295275 1296709106 /nfs/dbraw/zinc/70/91/06/1296709106.db2.gz ODVNUZXHUOKWQF-UHFFFAOYSA-N -1 1 339.323 2.664 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ncc(F)cc2Cl)cc1C#N ZINC001201295740 1296711067 /nfs/dbraw/zinc/71/10/67/1296711067.db2.gz YIURFHWGCRAUJL-UHFFFAOYSA-N -1 1 325.752 2.855 20 30 EFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201316594 1296723903 /nfs/dbraw/zinc/72/39/03/1296723903.db2.gz BMOQIKJNCIZHOD-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)cc1C#N ZINC001201316953 1296724032 /nfs/dbraw/zinc/72/40/32/1296724032.db2.gz JJWRUCOMOBFIMF-UHFFFAOYSA-N -1 1 329.337 2.514 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)ccc23)cc1C#N ZINC001201320148 1296725349 /nfs/dbraw/zinc/72/53/49/1296725349.db2.gz QBNIVKJWMKAKHI-UHFFFAOYSA-N -1 1 339.376 2.921 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CO)c(Cl)c2)cc1C#N ZINC001201320410 1296725571 /nfs/dbraw/zinc/72/55/71/1296725571.db2.gz YXTQVPKSDYEKAX-UHFFFAOYSA-N -1 1 336.800 2.813 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)cc1C#N ZINC001201320274 1296725737 /nfs/dbraw/zinc/72/57/37/1296725737.db2.gz UWPLCITXPFFRCK-UHFFFAOYSA-N -1 1 333.319 2.817 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CC3)cc1C#N ZINC001201323424 1296727230 /nfs/dbraw/zinc/72/72/30/1296727230.db2.gz DPDPARPSKQKQFQ-QGZVFWFLSA-N -1 1 328.393 2.647 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cc1C#N ZINC001201322535 1296727639 /nfs/dbraw/zinc/72/76/39/1296727639.db2.gz NJAOMXFSUYMKLC-UHFFFAOYSA-N -1 1 329.356 2.987 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H](C#N)c1ccccc1 ZINC001201728901 1297030269 /nfs/dbraw/zinc/03/02/69/1297030269.db2.gz PMNGUJWMKUVCAO-SNVBAGLBSA-N -1 1 327.818 2.648 20 30 EFEDMM CCOC(=O)CN(CCC#N)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236802145 1313532327 /nfs/dbraw/zinc/53/23/27/1313532327.db2.gz GJJNJKYTJDEYHE-UHFFFAOYSA-N -1 1 331.199 2.978 20 30 EFEDMM N#CCC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000797563525 1298925402 /nfs/dbraw/zinc/92/54/02/1298925402.db2.gz LESOLXDLENEXPT-UHFFFAOYSA-N -1 1 338.205 2.648 20 30 EFEDMM C#CCOc1ccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000085586227 1299108132 /nfs/dbraw/zinc/10/81/32/1299108132.db2.gz CMPMKVYJQRYGKY-UHFFFAOYSA-N -1 1 345.428 2.855 20 30 EFEDMM C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757448 1299866476 /nfs/dbraw/zinc/86/64/76/1299866476.db2.gz VIKUUNZZENOQSI-DOMZBBRYSA-N -1 1 342.336 2.566 20 30 EFEDMM CC(=NNc1cc(Cl)nc(C)n1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776726728 1300526051 /nfs/dbraw/zinc/52/60/51/1300526051.db2.gz 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ZINC001349535978 1332965930 /nfs/dbraw/zinc/96/59/30/1332965930.db2.gz SNMFFMFCNSSTNY-VIFPVBQESA-N -1 1 333.240 2.699 20 30 EFEDMM C=C(Cl)C[C@H](NCc1nccc(C)c1Br)C(=O)[O-] ZINC000864519360 1302957435 /nfs/dbraw/zinc/95/74/35/1302957435.db2.gz MIMQRXCXPRHIFM-VIFPVBQESA-N -1 1 333.613 2.838 20 30 EFEDMM C=C(Cl)C[C@@H](NCc1ncc(Br)cc1F)C(=O)[O-] ZINC000864519786 1302958277 /nfs/dbraw/zinc/95/82/77/1302958277.db2.gz ZEGCVHWKTJPRCK-SECBINFHSA-N -1 1 337.576 2.669 20 30 EFEDMM O=C(c1cc(F)cc(-c2cccc(/C=N/[O-])c2)c1)N1CCOCC1 ZINC001238913216 1313882843 /nfs/dbraw/zinc/88/28/43/1313882843.db2.gz ROADJPLYWRHDHS-UDWIEESQSA-N -1 1 328.343 2.773 20 30 EFEDMM N#Cc1cccc(Br)c1N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000865758804 1303387324 /nfs/dbraw/zinc/38/73/24/1303387324.db2.gz ONEUKLOJIJTDSR-UHFFFAOYSA-N -1 1 349.188 2.793 20 30 EFEDMM COC(=O)c1ccccc1N=NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000794921764 1303654392 /nfs/dbraw/zinc/65/43/92/1303654392.db2.gz LXAJTFUWTCEHDD-GFCCVEGCSA-N -1 1 342.351 2.771 20 30 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COc1ccc(C=CC(=O)c2ccnc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826191005 1428843112 /nfs/dbraw/zinc/84/31/12/1428843112.db2.gz UHEVPOMNVQJTNI-RQOWECAXSA-N -1 1 341.758 2.820 20 30 EFEDMM Cc1ccnc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826309980 1428899757 /nfs/dbraw/zinc/89/97/57/1428899757.db2.gz HZJPVDRIYWBSAY-JKSUJKDBSA-N -1 1 345.410 2.846 20 30 EFEDMM N#Cc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1-c1nnn[n-]1 ZINC000737716116 1428922513 /nfs/dbraw/zinc/92/25/13/1428922513.db2.gz LIVXYWQNDKSVGD-UHFFFAOYSA-N -1 1 348.410 2.749 20 30 EFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(F)c([O-])c1 ZINC001567332937 1416076723 /nfs/dbraw/zinc/07/67/23/1416076723.db2.gz VBMMOGZAPGUGPG-UHFFFAOYSA-N -1 1 337.314 2.544 20 30 EFEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1cccnc1 ZINC000819743882 1429137637 /nfs/dbraw/zinc/13/76/37/1429137637.db2.gz SAASMWAGDHRWSJ-CQSZACIVSA-N -1 1 348.410 2.580 20 30 EFEDMM O=[N+]([O-])c1cccc(NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000823647240 1429306213 /nfs/dbraw/zinc/30/62/13/1429306213.db2.gz IQZYRAGXXGUYCI-UHFFFAOYSA-N -1 1 349.354 2.927 20 30 EFEDMM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735408012 1429469099 /nfs/dbraw/zinc/46/90/99/1429469099.db2.gz DZAHUXHGFHJHHM-UHFFFAOYSA-N -1 1 328.420 2.755 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)c(C)o1 ZINC000819745956 1429487578 /nfs/dbraw/zinc/48/75/78/1429487578.db2.gz WOCJAHRCKKJHMA-UHFFFAOYSA-N -1 1 337.383 2.905 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CO2 ZINC000821849305 1429493086 /nfs/dbraw/zinc/49/30/86/1429493086.db2.gz CPJKNRWJLABACJ-RMKNXTFCSA-N -1 1 340.364 2.596 20 30 EFEDMM C=CCc1cc(-c2nc3ccc(-c4nnn[n-]4)cc3[nH]2)cc(OC)c1O ZINC000823937340 1423230389 /nfs/dbraw/zinc/23/03/89/1423230389.db2.gz SRIUAMRJBDDAQK-UHFFFAOYSA-N -1 1 348.366 2.853 20 30 EFEDMM COc1ccccc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826218619 1423430604 /nfs/dbraw/zinc/43/06/04/1423430604.db2.gz HMTYJCZSIAIJCF-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(Cl)nc2)cc1-c1nnn[n-]1 ZINC000826190926 1423446367 /nfs/dbraw/zinc/44/63/67/1423446367.db2.gz RALPLKNFDZMCCR-GORDUTHDSA-N -1 1 341.758 2.820 20 30 EFEDMM CC(C)Cc1ncc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000820108926 1423549285 /nfs/dbraw/zinc/54/92/85/1423549285.db2.gz VKGWCSXMPRIUSB-UHFFFAOYSA-N -1 1 327.417 2.968 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000826190478 1429655636 /nfs/dbraw/zinc/65/56/36/1429655636.db2.gz COJRDVCGNFLMEA-UTCJRWHESA-N -1 1 349.325 2.782 20 30 EFEDMM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCC(C#N)CC1 ZINC000822204075 1423766554 /nfs/dbraw/zinc/76/65/54/1423766554.db2.gz CHPWAGPCUYHNBM-UHFFFAOYSA-N -1 1 337.362 2.602 20 30 EFEDMM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)Nc2nn[n-]n2)c1 ZINC000116975209 1423782436 /nfs/dbraw/zinc/78/24/36/1423782436.db2.gz CVISYIVEOMBWRV-UHFFFAOYSA-N -1 1 340.730 2.769 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(Cl)nc2)o1 ZINC000819965441 1423876359 /nfs/dbraw/zinc/87/63/59/1423876359.db2.gz HBWVGAHDJIASSF-UHFFFAOYSA-N -1 1 346.782 2.647 20 30 EFEDMM CC(C)CCN(CCC#N)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820076110 1424140777 /nfs/dbraw/zinc/14/07/77/1424140777.db2.gz ASJPXPKNWJHTRY-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CC(C)CCN(CCC#N)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820076110 1424140780 /nfs/dbraw/zinc/14/07/80/1424140780.db2.gz ASJPXPKNWJHTRY-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM Cc1cccc(C)c1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737389873 1424181544 /nfs/dbraw/zinc/18/15/44/1424181544.db2.gz MVHOOBBAZYRUBA-UHFFFAOYSA-N -1 1 337.412 2.625 20 30 EFEDMM CCOc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000825649690 1424365443 /nfs/dbraw/zinc/36/54/43/1424365443.db2.gz VFVRATZKOIMRNW-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826187454 1424413101 /nfs/dbraw/zinc/41/31/01/1424413101.db2.gz QVBMPMKMCMONEC-VQHVLOKHSA-N -1 1 336.351 2.780 20 30 EFEDMM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000821787362 1424457836 /nfs/dbraw/zinc/45/78/36/1424457836.db2.gz RWHMCTKBHUMOGP-UHFFFAOYSA-N -1 1 342.790 2.652 20 30 EFEDMM COc1ccc2c(c1)C(=NNCc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000821850015 1424467181 /nfs/dbraw/zinc/46/71/81/1424467181.db2.gz VBZHLURFAXKTFG-UHFFFAOYSA-N -1 1 348.410 2.706 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)n21 ZINC000822341093 1424575343 /nfs/dbraw/zinc/57/53/43/1424575343.db2.gz UMLDKMJHIMNVPG-CMDGGOBGSA-N -1 1 330.351 2.719 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnc(C3CC3)s2)o1 ZINC000820203404 1429742031 /nfs/dbraw/zinc/74/20/31/1429742031.db2.gz UDGHIWVDOJDLRJ-UHFFFAOYSA-N -1 1 344.404 2.758 20 30 EFEDMM C[C@@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000824034723 1424934808 /nfs/dbraw/zinc/93/48/08/1424934808.db2.gz NUVTUAIBNFDWKV-QMMMGPOBSA-N -1 1 345.769 2.803 20 30 EFEDMM N#Cc1cc(NC(=O)C=CSc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737706667 1424968379 /nfs/dbraw/zinc/96/83/79/1424968379.db2.gz XXNSZTMBALZASY-CMDGGOBGSA-N -1 1 348.391 2.983 20 30 EFEDMM Cc1cc(C)n(N=CC[C@H](C)c2ccccc2)c(=O)c1-c1nnn[n-]1 ZINC000826265001 1424992310 /nfs/dbraw/zinc/99/23/10/1424992310.db2.gz ITBXJOCTYRGLKQ-LBPRGKRZSA-N -1 1 336.399 2.673 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c(C#N)c2n1CCC2 ZINC000737204329 1425061305 /nfs/dbraw/zinc/06/13/05/1425061305.db2.gz ZUWMZVLSEXBKID-BQYQJAHWSA-N -1 1 344.378 2.691 20 30 EFEDMM N#Cc1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)cc1F ZINC000737722958 1425066612 /nfs/dbraw/zinc/06/66/12/1425066612.db2.gz ZSUQAGPFVGBTHH-UHFFFAOYSA-N -1 1 334.314 2.709 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCOc2ccccc21 ZINC000819718414 1425236878 /nfs/dbraw/zinc/23/68/78/1425236878.db2.gz GBPDNJTUIMLHEZ-HNNXBMFYSA-N -1 1 334.383 2.508 20 30 EFEDMM Cc1nc(C)c(C#N)c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737471025 1425283907 /nfs/dbraw/zinc/28/39/07/1425283907.db2.gz LTABHBGHZYXESH-JTQLQIEISA-N -1 1 337.412 2.999 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1-c1nnn[n-]1 ZINC000822830202 1425293962 /nfs/dbraw/zinc/29/39/62/1425293962.db2.gz WZBQZGAQABYCEW-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM N#CC1(c2ccc(COC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826380448 1425298463 /nfs/dbraw/zinc/29/84/63/1425298463.db2.gz ATIPYLQVIOMYHR-UHFFFAOYSA-N -1 1 345.362 2.779 20 30 EFEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nccc(C)c1C#N ZINC000825322696 1425330772 /nfs/dbraw/zinc/33/07/72/1425330772.db2.gz JEUYAYCYTONIOX-UHFFFAOYSA-N -1 1 333.399 2.858 20 30 EFEDMM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(C#N)c1 ZINC000820462682 1425374331 /nfs/dbraw/zinc/37/43/31/1425374331.db2.gz ZXJAUFACJHAWQU-SECBINFHSA-N -1 1 325.763 2.960 20 30 EFEDMM Fc1ccc(-n2cc(C=NNc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000737647221 1425375474 /nfs/dbraw/zinc/37/54/74/1425375474.db2.gz CSOOQSVKAYLFTN-UHFFFAOYSA-N -1 1 348.345 2.638 20 30 EFEDMM CN(Cc1cccc(C#N)c1)c1nc2ccccc2cc1-c1nnn[n-]1 ZINC000821613381 1425388849 /nfs/dbraw/zinc/38/88/49/1425388849.db2.gz LCWYRVRCSZGNMK-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C#N)cc1Cl ZINC000821749529 1425408949 /nfs/dbraw/zinc/40/89/49/1425408949.db2.gz QLCJOXVDFGIRGK-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1CCC1 ZINC000819743864 1425495266 /nfs/dbraw/zinc/49/52/66/1425495266.db2.gz ROQVORCMUROENL-UHFFFAOYSA-N -1 1 340.431 2.755 20 30 EFEDMM N#Cc1ccccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737727312 1425686996 /nfs/dbraw/zinc/68/69/96/1425686996.db2.gz JFHVOLBJRVLTEJ-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2csc(C3CC3)n2)n1 ZINC000826351108 1425945913 /nfs/dbraw/zinc/94/59/13/1425945913.db2.gz XIXWWYJYSAQFJP-UHFFFAOYSA-N -1 1 346.807 2.695 20 30 EFEDMM C=CCOCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000735438091 1425979800 /nfs/dbraw/zinc/97/98/00/1425979800.db2.gz XBNHXOQLNVPIBP-UHFFFAOYSA-N -1 1 341.396 2.736 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826257109 1425989069 /nfs/dbraw/zinc/98/90/69/1425989069.db2.gz NUZQRMHDRZULQP-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM C=CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735431602 1426283704 /nfs/dbraw/zinc/28/37/04/1426283704.db2.gz FQZKHERXOZLCIO-UHFFFAOYSA-N -1 1 339.330 2.714 20 30 EFEDMM N#Cc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826385326 1426289503 /nfs/dbraw/zinc/28/95/03/1426289503.db2.gz HIUQSPXRGFUEOU-UHFFFAOYSA-N -1 1 345.366 2.549 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826384038 1426295601 /nfs/dbraw/zinc/29/56/01/1426295601.db2.gz DEOFJPRFPNRJEH-QHHAFSJGSA-N -1 1 337.289 2.913 20 30 EFEDMM C#CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCC)cc1 ZINC000823856124 1426398431 /nfs/dbraw/zinc/39/84/31/1426398431.db2.gz JWKGKDNVGMHCNI-UHFFFAOYSA-N -1 1 349.394 2.890 20 30 EFEDMM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953722 1426463798 /nfs/dbraw/zinc/46/37/98/1426463798.db2.gz NCTDLEBTTSIKSO-UHFFFAOYSA-N -1 1 346.316 2.798 20 30 EFEDMM Cc1sc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C#N)c1C ZINC000822564133 1426586298 /nfs/dbraw/zinc/58/62/98/1426586298.db2.gz VEWFNRKZHGTIGE-UHFFFAOYSA-N -1 1 338.396 2.598 20 30 EFEDMM COc1cc(C)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826177909 1426596960 /nfs/dbraw/zinc/59/69/60/1426596960.db2.gz APBORAHLCKCTGR-BQYQJAHWSA-N -1 1 335.367 2.783 20 30 EFEDMM N#CCOc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822810919 1426601810 /nfs/dbraw/zinc/60/18/10/1426601810.db2.gz OEFGUFMWRYEPPE-UHFFFAOYSA-N -1 1 342.309 2.659 20 30 EFEDMM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737129899 1426633161 /nfs/dbraw/zinc/63/31/61/1426633161.db2.gz NLCXYXVYSLRKEW-HJWRWDBZSA-N -1 1 349.394 2.828 20 30 EFEDMM C=CCCOCCCCC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000823899349 1426744271 /nfs/dbraw/zinc/74/42/71/1426744271.db2.gz SZXKALDQPUFKSN-UHFFFAOYSA-N -1 1 329.404 2.593 20 30 EFEDMM COc1cccc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821877586 1426778800 /nfs/dbraw/zinc/77/88/00/1426778800.db2.gz MTHJYIOHVUKNKV-WEVVVXLNSA-N -1 1 340.364 2.596 20 30 EFEDMM CCn1c2ccc(C#N)cc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000825782506 1426876713 /nfs/dbraw/zinc/87/67/13/1426876713.db2.gz FXOLGSVVGCTYEY-UHFFFAOYSA-N -1 1 333.330 2.914 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822271112 1426898684 /nfs/dbraw/zinc/89/86/84/1426898684.db2.gz MXBWYQZSVBIFOP-UHFFFAOYSA-N -1 1 329.345 2.591 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000822829781 1426906077 /nfs/dbraw/zinc/90/60/77/1426906077.db2.gz IWXISIUBPFOGGN-PBHICJAKSA-N -1 1 344.378 2.556 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2sccc2C#N)c1-c1nn[n-]n1 ZINC000736679523 1426920329 /nfs/dbraw/zinc/92/03/29/1426920329.db2.gz WLZZMMNUGQEYPF-UHFFFAOYSA-N -1 1 344.425 2.985 20 30 EFEDMM CN(CCC#N)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821598129 1426926965 /nfs/dbraw/zinc/92/69/65/1426926965.db2.gz REMVNYOKTQNVFA-UHFFFAOYSA-N -1 1 332.367 2.519 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(N)cc1Cl ZINC000823954068 1426946785 /nfs/dbraw/zinc/94/67/85/1426946785.db2.gz XWXBLKNRHGSHDH-UHFFFAOYSA-N -1 1 341.806 2.616 20 30 EFEDMM O=C1C(=Cc2ccccc2-c2nnn[n-]2)COc2c(F)ccc(F)c21 ZINC000826475357 1426997342 /nfs/dbraw/zinc/99/73/42/1426997342.db2.gz CSQRQQNYLQUMBH-YFHOEESVSA-N -1 1 340.289 2.804 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc3occc3s2)cc1-c1nnn[n-]1 ZINC000737719736 1427009557 /nfs/dbraw/zinc/00/95/57/1427009557.db2.gz VGSZANHIGFVSBT-UHFFFAOYSA-N -1 1 336.336 2.798 20 30 EFEDMM CC(=NNCc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000735450855 1427033677 /nfs/dbraw/zinc/03/36/77/1427033677.db2.gz GKWFDIVXFSSDHQ-UHFFFAOYSA-N -1 1 328.326 2.659 20 30 EFEDMM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C#Cc1ccccc1 ZINC000820152271 1427113864 /nfs/dbraw/zinc/11/38/64/1427113864.db2.gz WGVUDUURTNVUGP-UHFFFAOYSA-N -1 1 347.378 2.644 20 30 EFEDMM COc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737129896 1427219663 /nfs/dbraw/zinc/21/96/63/1427219663.db2.gz NLCXYXVYSLRKEW-CMDGGOBGSA-N -1 1 349.394 2.828 20 30 EFEDMM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000820833030 1427420438 /nfs/dbraw/zinc/42/04/38/1427420438.db2.gz QLJLGUOVVCSRHZ-UHFFFAOYSA-N -1 1 336.399 2.779 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2sc(C(C)C)nc2C)o1 ZINC000819783431 1427444418 /nfs/dbraw/zinc/44/44/18/1427444418.db2.gz XBZBIBKVRDAWID-UHFFFAOYSA-N -1 1 346.420 2.888 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737698146 1427521582 /nfs/dbraw/zinc/52/15/82/1427521582.db2.gz UCNUHTUQHJILAN-FPLPWBNLSA-N -1 1 331.335 2.665 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822830215 1427535507 /nfs/dbraw/zinc/53/55/07/1427535507.db2.gz XLWWSDVZWIBEBC-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM C=CCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000823894261 1427545125 /nfs/dbraw/zinc/54/51/25/1427545125.db2.gz LPKOIWXKGBMYSK-OLZOCXBDSA-N -1 1 330.388 2.922 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(-n2cccn2)cc1 ZINC000826402560 1427610622 /nfs/dbraw/zinc/61/06/22/1427610622.db2.gz XEOLNISYQRUOMX-DHZHZOJOSA-N -1 1 342.362 2.949 20 30 EFEDMM C=CCOc1ccccc1CNCc1cc(-c2nnn[n-]2)ccc1F ZINC000819759187 1427736631 /nfs/dbraw/zinc/73/66/31/1427736631.db2.gz PPXBGWCARZLXDZ-UHFFFAOYSA-N -1 1 339.374 2.860 20 30 EFEDMM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC000824779884 1427777991 /nfs/dbraw/zinc/77/79/91/1427777991.db2.gz XVBJTNXBKUDZLR-INIZCTEOSA-N -1 1 348.357 2.594 20 30 EFEDMM N#Cc1ccc(Cl)cc1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822825755 1427910073 /nfs/dbraw/zinc/91/00/73/1427910073.db2.gz OAHDTBMDMZGXTQ-UHFFFAOYSA-N -1 1 341.758 2.850 20 30 EFEDMM C[C@@H]1Cc2ccccc2C1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825012441 1427954578 /nfs/dbraw/zinc/95/45/78/1427954578.db2.gz JFFMHSMCZRSRMQ-SECBINFHSA-N -1 1 339.790 2.924 20 30 EFEDMM CCOc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821417827 1427959602 /nfs/dbraw/zinc/95/96/02/1427959602.db2.gz TTWCKDLUNNQPLC-UHFFFAOYSA-N -1 1 338.346 2.888 20 30 EFEDMM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824136623 1428018504 /nfs/dbraw/zinc/01/85/04/1428018504.db2.gz RSNPZBFOHRWYEA-ALCCZGGFSA-N -1 1 340.362 2.923 20 30 EFEDMM C=C[C@@H](CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC000677644472 1428093640 /nfs/dbraw/zinc/09/36/40/1428093640.db2.gz PYMPFVNIUDNFNH-KSSFIOAISA-N -1 1 333.395 2.765 20 30 EFEDMM C=C[C@@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882774 1428138536 /nfs/dbraw/zinc/13/85/36/1428138536.db2.gz DCWHCYVJZFCGIF-HNNXBMFYSA-N -1 1 333.395 2.843 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826382301 1428200759 /nfs/dbraw/zinc/20/07/59/1428200759.db2.gz XNDUVBLDIXYPHO-PLNGDYQASA-N -1 1 337.364 2.727 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000826257221 1429799207 /nfs/dbraw/zinc/79/92/07/1429799207.db2.gz SWPWVLJJNJSPBD-UHFFFAOYSA-N -1 1 349.398 2.856 20 30 EFEDMM C=CCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823888757 1429833935 /nfs/dbraw/zinc/83/39/35/1429833935.db2.gz VOKXXBMCNGQZSJ-UHFFFAOYSA-N -1 1 326.385 2.895 20 30 EFEDMM CCOc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825639484 1429932576 /nfs/dbraw/zinc/93/25/76/1429932576.db2.gz XNABMKMKGCWODU-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C#N ZINC000826190793 1430024860 /nfs/dbraw/zinc/02/48/60/1430024860.db2.gz NPTQMISFKCKROS-QHHAFSJGSA-N -1 1 349.325 2.782 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826384226 1430044997 /nfs/dbraw/zinc/04/49/97/1430044997.db2.gz MDTRPEXXCRUORA-ONEGZZNKSA-N -1 1 325.328 2.835 20 30 EFEDMM C#CCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819710072 1430075877 /nfs/dbraw/zinc/07/58/77/1430075877.db2.gz WAWLVJSNFHPQKG-ZDUSSCGKSA-N -1 1 348.362 2.797 20 30 EFEDMM CSc1ccsc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737190915 1430126470 /nfs/dbraw/zinc/12/64/70/1430126470.db2.gz KBTWUXPBFUHWCG-UHFFFAOYSA-N -1 1 342.409 2.774 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000823503886 1430144671 /nfs/dbraw/zinc/14/46/71/1430144671.db2.gz JZSSKWOZQULTEO-LCYFTJDESA-N -1 1 347.334 2.987 20 30 EFEDMM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826498188 1430152992 /nfs/dbraw/zinc/15/29/92/1430152992.db2.gz KORFJKZMFSQVOR-UHFFFAOYSA-N -1 1 343.734 2.874 20 30 EFEDMM CCCCCCCN(c1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000821056146 1430240823 /nfs/dbraw/zinc/24/08/23/1430240823.db2.gz MIZGAVLYGHJAFD-UHFFFAOYSA-N -1 1 337.449 2.603 20 30 EFEDMM COc1ccc(C#N)cc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821770394 1441431311 /nfs/dbraw/zinc/43/13/11/1441431311.db2.gz RWDUHJLSYLTOHE-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM N#Cc1ccc(SCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000737722014 1441461627 /nfs/dbraw/zinc/46/16/27/1441461627.db2.gz DUDZGLNHOGEOAM-UHFFFAOYSA-N -1 1 342.409 2.531 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826387488 1441474363 /nfs/dbraw/zinc/47/43/63/1441474363.db2.gz XRDUBRXOCFWOOI-CMDGGOBGSA-N -1 1 349.325 2.634 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000737715573 1441481958 /nfs/dbraw/zinc/48/19/58/1441481958.db2.gz BINNGLFXOGWUFJ-HOCLYGCPSA-N -1 1 336.399 2.893 20 30 EFEDMM C#CCN(Cc1ccc(F)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823850813 1441563137 /nfs/dbraw/zinc/56/31/37/1441563137.db2.gz UQTGOTZWQPNHIX-UHFFFAOYSA-N -1 1 339.349 2.780 20 30 EFEDMM CCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000825367158 1441583390 /nfs/dbraw/zinc/58/33/90/1441583390.db2.gz KAQRIJGOYMRFJH-XFXZXTDPSA-N -1 1 344.378 2.805 20 30 EFEDMM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821343553 1441729940 /nfs/dbraw/zinc/72/99/40/1441729940.db2.gz PKKDWSRFNMVXHR-CLFYSBASSA-N -1 1 338.323 2.533 20 30 EFEDMM CC(C)CN(Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000824262089 1441792238 /nfs/dbraw/zinc/79/22/38/1441792238.db2.gz WWVYYCBEGNQFNO-UHFFFAOYSA-N -1 1 333.399 2.796 20 30 EFEDMM C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873304 1441838385 /nfs/dbraw/zinc/83/83/85/1441838385.db2.gz KYITYHOQEKAPRH-WFASDCNBSA-N -1 1 330.388 2.842 20 30 EFEDMM N#Cc1ccc(CNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000822825776 1441927360 /nfs/dbraw/zinc/92/73/60/1441927360.db2.gz OLORCXHKVQXKSM-UHFFFAOYSA-N -1 1 343.394 2.569 20 30 EFEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000822220555 1441934485 /nfs/dbraw/zinc/93/44/85/1441934485.db2.gz WQGHXVYZGZPSMP-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM N#Cc1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826387591 1442015355 /nfs/dbraw/zinc/01/53/55/1442015355.db2.gz FBZJRNBBXATJDY-RQOWECAXSA-N -1 1 325.328 2.835 20 30 EFEDMM C[C@@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163320 1442091561 /nfs/dbraw/zinc/09/15/61/1442091561.db2.gz MYXMVSXZXKNJEC-GFCCVEGCSA-N -1 1 333.351 2.851 20 30 EFEDMM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822814914 1442100810 /nfs/dbraw/zinc/10/08/10/1442100810.db2.gz LHFRCPMPMCBLPV-FNORWQNLSA-N -1 1 337.364 2.727 20 30 EFEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccccn2)s1 ZINC000819718250 1442116078 /nfs/dbraw/zinc/11/60/78/1442116078.db2.gz BVZWPQZYVQHXTB-UHFFFAOYSA-N -1 1 348.395 2.831 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000736676411 1442151213 /nfs/dbraw/zinc/15/12/13/1442151213.db2.gz UPXMJMLTXSPQMM-UHFFFAOYSA-N -1 1 338.396 2.923 20 30 EFEDMM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475368 1442187268 /nfs/dbraw/zinc/18/72/68/1442187268.db2.gz DBUYJDYWFRNHKB-BJMVGYQFSA-N -1 1 340.289 2.804 20 30 EFEDMM CCN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379277 1442193290 /nfs/dbraw/zinc/19/32/90/1442193290.db2.gz FRROLLJNGWBQKC-UHFFFAOYSA-N -1 1 332.367 2.599 20 30 EFEDMM C[C@@H](OC(=O)C1(C#N)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713717 1442313985 /nfs/dbraw/zinc/31/39/85/1442313985.db2.gz KFDFWQLJUJSAQO-GFCCVEGCSA-N -1 1 325.372 2.945 20 30 EFEDMM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000822825632 1442342865 /nfs/dbraw/zinc/34/28/65/1442342865.db2.gz JFQJJCJHLFZGEJ-UHFFFAOYSA-N -1 1 342.309 2.952 20 30 EFEDMM C[C@H](C#N)CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CC1 ZINC000824034460 1442372521 /nfs/dbraw/zinc/37/25/21/1442372521.db2.gz KEAGOZIUCPNSBM-SNVBAGLBSA-N -1 1 348.357 2.592 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000735419345 1442447647 /nfs/dbraw/zinc/44/76/47/1442447647.db2.gz RYOOXQJWUVZTHP-NSHDSACASA-N -1 1 347.419 2.687 20 30 EFEDMM C=C(C)COCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000819723099 1442449603 /nfs/dbraw/zinc/44/96/03/1442449603.db2.gz YQGABCHXMPTFCK-UHFFFAOYSA-N -1 1 346.341 2.698 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826365072 1443073772 /nfs/dbraw/zinc/07/37/72/1443073772.db2.gz AGTUFCJCXGJPRA-SOFGYWHQSA-N -1 1 330.351 2.650 20 30 EFEDMM C=CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000735409817 1443088756 /nfs/dbraw/zinc/08/87/56/1443088756.db2.gz LXOFQIRFUXVIHY-XZVRFQMRSA-N -1 1 346.394 2.709 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C)C#N)cc1 ZINC000822135803 1443163392 /nfs/dbraw/zinc/16/33/92/1443163392.db2.gz FEQRQJINPFXVQJ-LBPRGKRZSA-N -1 1 348.366 2.609 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000823931624 1443281033 /nfs/dbraw/zinc/28/10/33/1443281033.db2.gz BRZWTVMDHQBOBH-UHFFFAOYSA-N -1 1 335.367 2.992 20 30 EFEDMM CCOc1ccccc1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821431306 1443316297 /nfs/dbraw/zinc/31/62/97/1443316297.db2.gz PAIIHVSJGMSYBS-UHFFFAOYSA-N -1 1 336.399 2.779 20 30 EFEDMM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402731 1443342542 /nfs/dbraw/zinc/34/25/42/1443342542.db2.gz AIPJQIMQFCOVBG-RJRFIUFISA-N -1 1 345.315 2.872 20 30 EFEDMM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400751 1443376918 /nfs/dbraw/zinc/37/69/18/1443376918.db2.gz HJKGHGZOKJKHET-IWQZZHSRSA-N -1 1 340.364 2.596 20 30 EFEDMM Brc1cccc(NN=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000819688818 1443381948 /nfs/dbraw/zinc/38/19/48/1443381948.db2.gz NDRLHAXOWZWXJB-UHFFFAOYSA-N -1 1 333.149 2.668 20 30 EFEDMM N#CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000826381546 1443385338 /nfs/dbraw/zinc/38/53/38/1443385338.db2.gz PUCJCIZEXRLWIK-LBPRGKRZSA-N -1 1 338.396 2.703 20 30 EFEDMM Fc1ccc2c(C=NNCc3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822783195 1443411580 /nfs/dbraw/zinc/41/15/80/1443411580.db2.gz ZIJROFDBMOSYEB-UHFFFAOYSA-N -1 1 335.346 2.611 20 30 EFEDMM Cc1cc(C#N)ccc1COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826257289 1443436847 /nfs/dbraw/zinc/43/68/47/1443436847.db2.gz WFLGZRHQVSDQNN-UHFFFAOYSA-N -1 1 333.351 2.712 20 30 EFEDMM CCc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)oc1CC ZINC000821469352 1443439074 /nfs/dbraw/zinc/43/90/74/1443439074.db2.gz DBBLEHBMDIAAOG-UHFFFAOYSA-N -1 1 336.355 2.708 20 30 EFEDMM COc1ccc(CNN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826203380 1443448254 /nfs/dbraw/zinc/44/82/54/1443448254.db2.gz LMUKKQYQXKZWIP-UHFFFAOYSA-N -1 1 340.362 2.528 20 30 EFEDMM C#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000819710231 1443449347 /nfs/dbraw/zinc/44/93/47/1443449347.db2.gz ZNRGFADCZLZECZ-UHFFFAOYSA-N -1 1 329.360 2.691 20 30 EFEDMM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826217568 1443517512 /nfs/dbraw/zinc/51/75/12/1443517512.db2.gz SNWJSUVJMZKJRT-VOTSOKGWSA-N -1 1 342.380 2.842 20 30 EFEDMM CCNc1ccc(C#N)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825481285 1443537069 /nfs/dbraw/zinc/53/70/69/1443537069.db2.gz VWOZJADEGKPSSF-UHFFFAOYSA-N -1 1 337.362 2.921 20 30 EFEDMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1cc(Cl)ccc1C#N ZINC000821573267 1443572921 /nfs/dbraw/zinc/57/29/21/1443572921.db2.gz IOGAUARRFLBWFK-UHFFFAOYSA-N -1 1 344.787 2.730 20 30 EFEDMM C#CCOc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709799 1443596937 /nfs/dbraw/zinc/59/69/37/1443596937.db2.gz POIPVYOOJFOBTC-ZDUSSCGKSA-N -1 1 348.362 2.797 20 30 EFEDMM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000820456295 1443621850 /nfs/dbraw/zinc/62/18/50/1443621850.db2.gz RPQBMXGJYRXJGR-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM C=C(C)[C@@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823874289 1443646431 /nfs/dbraw/zinc/64/64/31/1443646431.db2.gz UYNLBUIZLNNSST-OAHLLOKOSA-N -1 1 329.404 2.591 20 30 EFEDMM N#Cc1cccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1F ZINC000826386549 1443677247 /nfs/dbraw/zinc/67/72/47/1443677247.db2.gz JJLGCMHWBFWSPZ-UHFFFAOYSA-N -1 1 334.358 2.656 20 30 EFEDMM C=C(C)[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)OCC ZINC000823874134 1443804516 /nfs/dbraw/zinc/80/45/16/1443804516.db2.gz TWWFVRIXNGUDKG-AWEZNQCLSA-N -1 1 349.822 2.854 20 30 EFEDMM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819817357 1443818461 /nfs/dbraw/zinc/81/84/61/1443818461.db2.gz BUBMUOIUVRIWDD-FNORWQNLSA-N -1 1 339.380 2.783 20 30 EFEDMM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(O)c(F)c1 ZINC000820832587 1443879870 /nfs/dbraw/zinc/87/98/70/1443879870.db2.gz LZDQLPSBMFAGFF-UHFFFAOYSA-N -1 1 326.335 2.938 20 30 EFEDMM CN(Cc1cc(C#N)cs1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000821607489 1443893685 /nfs/dbraw/zinc/89/36/85/1443893685.db2.gz QURZNZFKECTYLO-UHFFFAOYSA-N -1 1 328.376 2.571 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC000826400654 1443907580 /nfs/dbraw/zinc/90/75/80/1443907580.db2.gz DNJYJCZKFRZUEL-DJWKRKHSSA-N -1 1 338.298 2.631 20 30 EFEDMM COc1cc(C#N)ccc1COc1c(C)cc(-c2nnn[n-]2)cc1C ZINC000826177105 1443916520 /nfs/dbraw/zinc/91/65/20/1443916520.db2.gz RKWQKOMPNDUSQU-UHFFFAOYSA-N -1 1 335.367 2.943 20 30 EFEDMM COCCC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)C(C)C ZINC000821684544 1443986560 /nfs/dbraw/zinc/98/65/60/1443986560.db2.gz CQGNNEFHRFSVKR-UHFFFAOYSA-N -1 1 335.412 2.613 20 30 EFEDMM C#CCOc1cc(F)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819709320 1444001225 /nfs/dbraw/zinc/00/12/25/1444001225.db2.gz CHSOMSCVYVOWJK-UHFFFAOYSA-N -1 1 341.321 2.769 20 30 EFEDMM CC(C)(C)CN(CCC#N)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735601948 1444007492 /nfs/dbraw/zinc/00/74/92/1444007492.db2.gz HPEZMJMABHNOMY-UHFFFAOYSA-N -1 1 340.431 2.588 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC=CCC1 ZINC000735420718 1446090329 /nfs/dbraw/zinc/09/03/29/1446090329.db2.gz QYQATIPSRBKQTH-MRXNPFEDSA-N -1 1 338.415 2.673 20 30 EFEDMM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400559 1446109339 /nfs/dbraw/zinc/10/93/39/1446109339.db2.gz BGUCHEADQSJHMZ-FNORWQNLSA-N -1 1 334.314 2.550 20 30 EFEDMM C=CCN(CC=C)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819739823 1446144092 /nfs/dbraw/zinc/14/40/92/1446144092.db2.gz IYTBYNMOOPXABX-NSHDSACASA-N -1 1 346.822 2.521 20 30 EFEDMM N#Cc1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822829741 1446229363 /nfs/dbraw/zinc/22/93/63/1446229363.db2.gz GYKVNKAJUFPRSH-UHFFFAOYSA-N -1 1 345.410 2.819 20 30 EFEDMM O=[N+]([O-])c1ccc2[nH]cc(C=NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826499658 1446239468 /nfs/dbraw/zinc/23/94/68/1446239468.db2.gz RJAHTDDECRSGPC-UHFFFAOYSA-N -1 1 348.326 2.702 20 30 EFEDMM CC(C)(C#N)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000824058804 1446240913 /nfs/dbraw/zinc/24/09/13/1446240913.db2.gz CJPATQTXCFLLAW-UHFFFAOYSA-N -1 1 329.314 2.655 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819743465 1446291469 /nfs/dbraw/zinc/29/14/69/1446291469.db2.gz KBMVDTMUIVUQMM-UHFFFAOYSA-N -1 1 339.424 2.799 20 30 EFEDMM Fc1ccc2c(c1)CCC2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826376268 1446309734 /nfs/dbraw/zinc/30/97/34/1446309734.db2.gz VUZAHUZCDSMIGA-UHFFFAOYSA-N -1 1 343.753 2.817 20 30 EFEDMM Fc1ccc2c(c1)CCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826376268 1446309739 /nfs/dbraw/zinc/30/97/39/1446309739.db2.gz VUZAHUZCDSMIGA-UHFFFAOYSA-N -1 1 343.753 2.817 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735505120 1446378588 /nfs/dbraw/zinc/37/85/88/1446378588.db2.gz SIOYXHSDOFCTGH-LBPRGKRZSA-N -1 1 348.366 2.544 20 30 EFEDMM COc1cc(-c2nn[n-]n2)ccc1Oc1snc(Cl)c1C#N ZINC000826176529 1446400823 /nfs/dbraw/zinc/40/08/23/1446400823.db2.gz SXTKXZMOGKWYLI-UHFFFAOYSA-N -1 1 334.748 2.649 20 30 EFEDMM C=CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735437957 1446425178 /nfs/dbraw/zinc/42/51/78/1446425178.db2.gz UVJHBFIXCHQIBN-UHFFFAOYSA-N -1 1 346.350 2.555 20 30 EFEDMM COc1ccc(C=C2Oc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737085173 1446489217 /nfs/dbraw/zinc/48/92/17/1446489217.db2.gz ZALOHGMHHOVSTH-VIZOYTHASA-N -1 1 338.298 2.631 20 30 EFEDMM C#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735380581 1446639331 /nfs/dbraw/zinc/63/93/31/1446639331.db2.gz JKZBYAKYCNWLAM-UHFFFAOYSA-N -1 1 341.321 2.769 20 30 EFEDMM CC(C)Oc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820178409 1446833465 /nfs/dbraw/zinc/83/34/65/1446833465.db2.gz OTHJKPKAHQQCAR-UHFFFAOYSA-N -1 1 336.399 2.778 20 30 EFEDMM N#C[C@H](C(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2o1 ZINC000822801238 1446910156 /nfs/dbraw/zinc/91/01/56/1446910156.db2.gz GPIXZDOWEOEBGB-MRVPVSSYSA-N -1 1 336.336 2.559 20 30 EFEDMM CCC1(CC)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H]1OC ZINC000825165143 1446910692 /nfs/dbraw/zinc/91/06/92/1446910692.db2.gz UAALQNIZWRHWCE-NSHDSACASA-N -1 1 349.826 2.908 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(C#N)cc1C ZINC000826253945 1446915012 /nfs/dbraw/zinc/91/50/12/1446915012.db2.gz LZJBUIGISLHDTE-UHFFFAOYSA-N -1 1 333.351 2.712 20 30 EFEDMM C=CC[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735410363 1446979106 /nfs/dbraw/zinc/97/91/06/1446979106.db2.gz ZUZDPVOCQDTELA-CQSZACIVSA-N -1 1 342.447 2.999 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894594 1446984453 /nfs/dbraw/zinc/98/44/53/1446984453.db2.gz UNTKDRFGIHMGJK-CHWSQXEVSA-N -1 1 328.420 2.972 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc3cnccc32)o1 ZINC000824353129 1447003618 /nfs/dbraw/zinc/00/36/18/1447003618.db2.gz YOKIBABWLUHHNI-UHFFFAOYSA-N -1 1 348.370 2.972 20 30 EFEDMM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958564 1447137091 /nfs/dbraw/zinc/13/70/91/1447137091.db2.gz QTAVPLMUGDRUID-UHFFFAOYSA-N -1 1 329.345 2.673 20 30 EFEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958564 1447137093 /nfs/dbraw/zinc/13/70/93/1447137093.db2.gz QTAVPLMUGDRUID-UHFFFAOYSA-N -1 1 329.345 2.673 20 30 EFEDMM CC(=NNCCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953471 1447153840 /nfs/dbraw/zinc/15/38/40/1447153840.db2.gz BQUBQBYBIDTUFK-UHFFFAOYSA-N -1 1 338.390 2.952 20 30 EFEDMM C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820457257 1447170044 /nfs/dbraw/zinc/17/00/44/1447170044.db2.gz ZDSYQGITUSLGJH-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1O ZINC000826178577 1447173664 /nfs/dbraw/zinc/17/36/64/1447173664.db2.gz DFAQDANNSABMMS-QHHAFSJGSA-N -1 1 340.314 2.616 20 30 EFEDMM C=C(C)[C@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873051 1447200376 /nfs/dbraw/zinc/20/03/76/1447200376.db2.gz GWTRJFIQFHIRGP-DOMZBBRYSA-N -1 1 330.388 2.842 20 30 EFEDMM C[C@H](NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)c(F)c1 ZINC000824606518 1447210300 /nfs/dbraw/zinc/21/03/00/1447210300.db2.gz PSZIXMMIKFJFKK-JTQLQIEISA-N -1 1 340.337 2.867 20 30 EFEDMM O=C1C(=Cc2cccc3c2OCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503557 1447253251 /nfs/dbraw/zinc/25/32/51/1447253251.db2.gz GXAHDXIQSJMMAZ-XFXZXTDPSA-N -1 1 346.346 2.808 20 30 EFEDMM CC#CCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819763786 1447260803 /nfs/dbraw/zinc/26/08/03/1447260803.db2.gz CXUMPXBSHUCTIR-UHFFFAOYSA-N -1 1 348.362 2.626 20 30 EFEDMM Fc1ccc(Cl)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826374862 1449079045 /nfs/dbraw/zinc/07/90/45/1449079045.db2.gz PAPXISDTELOKNC-UHFFFAOYSA-N -1 1 330.754 2.783 20 30 EFEDMM CCOc1cccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821427688 1449252481 /nfs/dbraw/zinc/25/24/81/1449252481.db2.gz YHEPBDVBWBKNTO-UHFFFAOYSA-N -1 1 336.399 2.779 20 30 EFEDMM C[C@@H](Nc1nc2ccccn2c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663360 1449263804 /nfs/dbraw/zinc/26/38/04/1449263804.db2.gz YFLYUYOYCCFNNF-LLVKDONJSA-N -1 1 330.355 2.559 20 30 EFEDMM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737416193 1449307960 /nfs/dbraw/zinc/30/79/60/1449307960.db2.gz XXCFHARYXPXBII-UHFFFAOYSA-N -1 1 346.394 2.963 20 30 EFEDMM C#CCOc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380724 1449400958 /nfs/dbraw/zinc/40/09/58/1449400958.db2.gz LRMLACFHTYRVFA-UHFFFAOYSA-N -1 1 332.367 2.715 20 30 EFEDMM CCCCCCCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825272291 1449402168 /nfs/dbraw/zinc/40/21/68/1449402168.db2.gz ZPDGVYMILIODSF-OAHLLOKOSA-N -1 1 332.404 2.804 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000735419762 1449504039 /nfs/dbraw/zinc/50/40/39/1449504039.db2.gz ZTPZBGDAONFEOV-LBPRGKRZSA-N -1 1 329.429 2.548 20 30 EFEDMM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736488918 1449544615 /nfs/dbraw/zinc/54/46/15/1449544615.db2.gz UMABHWSZGCBIKY-UHFFFAOYSA-N -1 1 347.382 2.813 20 30 EFEDMM Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822015322 1449553586 /nfs/dbraw/zinc/55/35/86/1449553586.db2.gz ILEBLGBORJSUHQ-GFCCVEGCSA-N -1 1 347.382 2.930 20 30 EFEDMM C=CCCOCCCCC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823898797 1449558668 /nfs/dbraw/zinc/55/86/68/1449558668.db2.gz BQAJNEVMJFVKEB-UHFFFAOYSA-N -1 1 343.431 2.588 20 30 EFEDMM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958630 1449575137 /nfs/dbraw/zinc/57/51/37/1449575137.db2.gz TZKJTFVFFJUPCI-UHFFFAOYSA-N -1 1 344.791 2.684 20 30 EFEDMM CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958630 1449575140 /nfs/dbraw/zinc/57/51/40/1449575140.db2.gz TZKJTFVFFJUPCI-UHFFFAOYSA-N -1 1 344.791 2.684 20 30 EFEDMM CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958630 1449575145 /nfs/dbraw/zinc/57/51/45/1449575145.db2.gz TZKJTFVFFJUPCI-UHFFFAOYSA-N -1 1 344.791 2.684 20 30 EFEDMM CCCCCCCCCC=CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC000913495085 1449706100 /nfs/dbraw/zinc/70/61/00/1449706100.db2.gz QRIVMMWTJPEOGE-NKSUMMKUSA-N -1 1 335.452 2.797 20 30 EFEDMM CN(C)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821589331 1449730464 /nfs/dbraw/zinc/73/04/64/1449730464.db2.gz JPHPUEISTOZASI-BQYQJAHWSA-N -1 1 325.397 2.890 20 30 EFEDMM COc1ccc(C=NNc2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC000737080416 1449741604 /nfs/dbraw/zinc/74/16/04/1449741604.db2.gz AGEWUHCNJFWHFD-UHFFFAOYSA-N -1 1 330.298 2.600 20 30 EFEDMM COc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826210380 1449780249 /nfs/dbraw/zinc/78/02/49/1449780249.db2.gz OUZFMPJPRXPRBT-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826257087 1449798852 /nfs/dbraw/zinc/79/88/52/1449798852.db2.gz MYEMIKMIJZYQSL-GFCCVEGCSA-N -1 1 333.351 2.965 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C#N ZINC000826190792 1449881915 /nfs/dbraw/zinc/88/19/15/1449881915.db2.gz NPTQMISFKCKROS-KXFIGUGUSA-N -1 1 349.325 2.782 20 30 EFEDMM C[C@H](Nc1c(C#N)cnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137994 1450076996 /nfs/dbraw/zinc/07/69/96/1450076996.db2.gz MWCDBNNIUNFCQO-LBPRGKRZSA-N -1 1 341.378 2.882 20 30 EFEDMM Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826332818 1450086044 /nfs/dbraw/zinc/08/60/44/1450086044.db2.gz JAGDAUCBXOOLBD-UHFFFAOYSA-N -1 1 338.419 2.881 20 30 EFEDMM C=CCN(CC=C)C(=O)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419281 1450173632 /nfs/dbraw/zinc/17/36/32/1450173632.db2.gz RIGGDPLRKCFYJS-ZDUSSCGKSA-N -1 1 343.456 2.862 20 30 EFEDMM N#Cc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737721338 1450175969 /nfs/dbraw/zinc/17/59/69/1450175969.db2.gz JEGDMBOCMWZMCZ-UHFFFAOYSA-N -1 1 346.394 2.786 20 30 EFEDMM O=c1[nH]c2ccccc2cc1C=NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738401433 1450268442 /nfs/dbraw/zinc/26/84/42/1450268442.db2.gz SGEKZJNLWJRECZ-KEBDBYFISA-N -1 1 348.341 2.879 20 30 EFEDMM N#Cc1cnc(NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000737728309 1450303015 /nfs/dbraw/zinc/30/30/15/1450303015.db2.gz LQUOMFQXTOWJAW-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM C[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824724101 1450329248 /nfs/dbraw/zinc/32/92/48/1450329248.db2.gz YQVWWFFCRKAQAD-LBPRGKRZSA-N -1 1 333.351 2.851 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729979 1450359785 /nfs/dbraw/zinc/35/97/85/1450359785.db2.gz ONPGHHLWTIOTLN-CYBMUJFWSA-N -1 1 349.394 2.750 20 30 EFEDMM C#CCN(Cc1ccc(F)cc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735375293 1450423034 /nfs/dbraw/zinc/42/30/34/1450423034.db2.gz XDJMLNQEPGLALG-UHFFFAOYSA-N -1 1 339.349 2.780 20 30 EFEDMM COc1cc(C#N)ccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737033934 1450456291 /nfs/dbraw/zinc/45/62/91/1450456291.db2.gz CMEQETWYZUBZBB-UHFFFAOYSA-N -1 1 328.719 2.588 20 30 EFEDMM C=CCC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894371 1450471322 /nfs/dbraw/zinc/47/13/22/1450471322.db2.gz OKWQWHQVENQOJK-IUODEOHRSA-N -1 1 342.399 2.922 20 30 EFEDMM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822923081 1450474563 /nfs/dbraw/zinc/47/45/63/1450474563.db2.gz NRRNPAWXXNCBJT-PLNGDYQASA-N -1 1 328.278 2.747 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822923081 1450474564 /nfs/dbraw/zinc/47/45/64/1450474564.db2.gz NRRNPAWXXNCBJT-PLNGDYQASA-N -1 1 328.278 2.747 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822923081 1450474565 /nfs/dbraw/zinc/47/45/65/1450474565.db2.gz NRRNPAWXXNCBJT-PLNGDYQASA-N -1 1 328.278 2.747 20 30 EFEDMM N#Cc1ccc(SCC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891623398 714871914 /nfs/dbraw/zinc/87/19/14/714871914.db2.gz RNHQHFLNYGFXKL-UHFFFAOYSA-N -1 1 340.408 2.663 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OC(F)(F)F)c(=O)o1 ZINC000255472781 715271919 /nfs/dbraw/zinc/27/19/19/715271919.db2.gz YOVRGRVLMXHTDU-AFNCTOJWSA-N -1 1 340.253 2.813 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)s2)c(=O)o1 ZINC000255557592 715842083 /nfs/dbraw/zinc/84/20/83/715842083.db2.gz JGRACYZESXGOJD-DTRQGZQOSA-N -1 1 341.182 2.739 20 30 EFEDMM C[C@H](NC(=S)NN=Cc1cccc([O-])c1Br)C1CC1 ZINC000841628924 716005186 /nfs/dbraw/zinc/00/51/86/716005186.db2.gz FFBKHJKWGAADLQ-QMMMGPOBSA-N -1 1 342.262 2.751 20 30 EFEDMM N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccccc2O)s1 ZINC001027761119 716871157 /nfs/dbraw/zinc/87/11/57/716871157.db2.gz HMOUBOHBOSBBAY-CYBMUJFWSA-N -1 1 341.436 2.720 20 30 EFEDMM C=CCn1c(Cc2csc(NC(=O)[C@H]3C[C@H]3C)n2)n[n-]c1=S ZINC000026091665 723547561 /nfs/dbraw/zinc/54/75/61/723547561.db2.gz NIKGPWBEGVGCID-SCZZXKLOSA-N -1 1 335.458 2.768 20 30 EFEDMM C=C1CC(c2noc([C@H](C)[N-]S(=O)(=O)c3cccs3)n2)C1 ZINC000896884811 723567867 /nfs/dbraw/zinc/56/78/67/723567867.db2.gz SPFJYEHOWNDZBJ-VIFPVBQESA-N -1 1 325.415 2.604 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(S(C)(=O)=O)cc1)O2 ZINC000918155781 728847094 /nfs/dbraw/zinc/84/70/94/728847094.db2.gz NRSJYSAEAJWYID-OVCLIPMQSA-N -1 1 330.361 2.720 20 30 EFEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000727264718 723877566 /nfs/dbraw/zinc/87/75/66/723877566.db2.gz VNFSAAGLEWSYJI-VCHYOVAHSA-N -1 1 341.338 2.984 20 30 EFEDMM COCc1cccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000727356692 723947995 /nfs/dbraw/zinc/94/79/95/723947995.db2.gz GMOPGALHHWYBEO-UHFFFAOYSA-N -1 1 332.381 2.536 20 30 EFEDMM COc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1OCC(=O)[O-] ZINC000728442079 724023930 /nfs/dbraw/zinc/02/39/30/724023930.db2.gz VLXFGDVOMDSSDX-GORDUTHDSA-N -1 1 346.310 2.899 20 30 EFEDMM C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715838 728878219 /nfs/dbraw/zinc/87/82/19/728878219.db2.gz MEVQRTARGHGKRF-SHTZXODSSA-N -1 1 345.443 2.548 20 30 EFEDMM [O-]c1c(Br)cccc1C=NNC(=S)NCC1CCC1 ZINC000727652952 724290965 /nfs/dbraw/zinc/29/09/65/724290965.db2.gz XTUCQBFHXZFDOC-UHFFFAOYSA-N -1 1 342.262 2.753 20 30 EFEDMM C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000987093898 725496495 /nfs/dbraw/zinc/49/64/95/725496495.db2.gz BMJNKRJSTJWWHE-AWEZNQCLSA-N -1 1 345.443 2.500 20 30 EFEDMM N#Cc1ccc(NCCNC(=O)c2ccc3ccccc3c2[O-])nc1 ZINC000915067130 726858774 /nfs/dbraw/zinc/85/87/74/726858774.db2.gz AYDFUGJPICREKX-UHFFFAOYSA-N -1 1 332.363 2.654 20 30 EFEDMM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2nc(C(F)F)[nH]c2c1 ZINC000732496362 727125599 /nfs/dbraw/zinc/12/55/99/727125599.db2.gz SGFDNIFNRLSCSS-NSHDSACASA-N -1 1 346.337 2.882 20 30 EFEDMM C=CCC[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908744460 727253875 /nfs/dbraw/zinc/25/38/75/727253875.db2.gz VCVUHCZUGBFPGJ-GJZGRUSLSA-N -1 1 349.431 2.525 20 30 EFEDMM C=CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250691 727423812 /nfs/dbraw/zinc/42/38/12/727423812.db2.gz OGEWYVBRHJTSTP-IAGOWNOFSA-N -1 1 330.428 2.607 20 30 EFEDMM C=CCC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250691 727423813 /nfs/dbraw/zinc/42/38/13/727423813.db2.gz OGEWYVBRHJTSTP-IAGOWNOFSA-N -1 1 330.428 2.607 20 30 EFEDMM C=CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250692 727423887 /nfs/dbraw/zinc/42/38/87/727423887.db2.gz OGEWYVBRHJTSTP-IRXDYDNUSA-N -1 1 330.428 2.607 20 30 EFEDMM C=CCC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250692 727423888 /nfs/dbraw/zinc/42/38/88/727423888.db2.gz OGEWYVBRHJTSTP-IRXDYDNUSA-N -1 1 330.428 2.607 20 30 EFEDMM C=CCCC[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000910916052 727471958 /nfs/dbraw/zinc/47/19/58/727471958.db2.gz DAXHGTMZVWRVFK-MSOLQXFVSA-N -1 1 344.455 2.967 20 30 EFEDMM C=CCCC[C@@H](NC(=O)c1ccc(CN2CCCCC2)o1)C(=O)[O-] ZINC000910924026 727472270 /nfs/dbraw/zinc/47/22/70/727472270.db2.gz XJFZNOHETCYLCP-OAHLLOKOSA-N -1 1 334.416 2.805 20 30 EFEDMM CC(C)CCNC(=S)NN=Cc1cccc(Br)c1[O-] ZINC000915951301 727642282 /nfs/dbraw/zinc/64/22/82/727642282.db2.gz IOTFKJPVTXKVMI-UHFFFAOYSA-N -1 1 344.278 2.999 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Br)ccc1O ZINC000916241421 727667997 /nfs/dbraw/zinc/66/79/97/727667997.db2.gz AAELKDSEHUHMGN-UHFFFAOYSA-N -1 1 337.177 2.795 20 30 EFEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1OCC(C)C ZINC000916241434 727668025 /nfs/dbraw/zinc/66/80/25/727668025.db2.gz BDZSMOBWRBBTCB-UHFFFAOYSA-N -1 1 330.388 2.980 20 30 EFEDMM COc1ccc(C=NNc2nc(C)cc(=O)[n-]2)cc1Br ZINC000916241554 727670166 /nfs/dbraw/zinc/67/01/66/727670166.db2.gz KIHPYYOAKGYMAB-UHFFFAOYSA-N -1 1 337.177 2.708 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Br)cc2F)n1 ZINC000916241752 727670273 /nfs/dbraw/zinc/67/02/73/727670273.db2.gz QZGPMKRXRPCNLH-UHFFFAOYSA-N -1 1 325.141 2.838 20 30 EFEDMM CC(N=Nc1cccc([N+](=O)[O-])c1)c1cccc(OCC(=O)[O-])c1 ZINC000916269213 727672249 /nfs/dbraw/zinc/67/22/49/727672249.db2.gz YOKTVEBZJPCTOF-UHFFFAOYSA-N -1 1 329.312 2.894 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)c1 ZINC000916894067 727740677 /nfs/dbraw/zinc/74/06/77/727740677.db2.gz LPBVJYYOUSGFOY-CYBMUJFWSA-N -1 1 342.376 2.920 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)cc1 ZINC000916952305 727748136 /nfs/dbraw/zinc/74/81/36/727748136.db2.gz HHKYCHYIFOBHAE-AWEZNQCLSA-N -1 1 339.351 2.523 20 30 EFEDMM Cc1cc(-n2c(C)cc(C=NNc3nc(C)cc(=O)[n-]3)c2C)no1 ZINC000917022547 727755432 /nfs/dbraw/zinc/75/54/32/727755432.db2.gz NGJFHEDAYAHDFN-UHFFFAOYSA-N -1 1 326.360 2.641 20 30 EFEDMM O=C(Nc1nn[n-]n1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000060380384 728356349 /nfs/dbraw/zinc/35/63/49/728356349.db2.gz NBBSQQQAAVRHNJ-OAHLLOKOSA-N -1 1 333.355 2.795 20 30 EFEDMM C#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000170719175 728469980 /nfs/dbraw/zinc/46/99/80/728469980.db2.gz YPDMRYNWDIVTPB-UHFFFAOYSA-N -1 1 343.404 2.976 20 30 EFEDMM C#C[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000174471410 728666966 /nfs/dbraw/zinc/66/69/66/728666966.db2.gz HMCVZTYCVJGKTN-ZDUSSCGKSA-N -1 1 329.377 2.666 20 30 EFEDMM C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060741950 729152729 /nfs/dbraw/zinc/15/27/29/729152729.db2.gz BAEOCVNNWAIMQJ-SHTZXODSSA-N -1 1 345.443 2.548 20 30 EFEDMM CC(CCc1cccc(F)c1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000920375009 729177422 /nfs/dbraw/zinc/17/74/22/729177422.db2.gz DYBJQWJNCVIIQT-UHFFFAOYSA-N -1 1 345.399 2.873 20 30 EFEDMM C=C[C@H](CC)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000823882976 946499165 /nfs/dbraw/zinc/49/91/65/946499165.db2.gz HLFWSTSZNQQAOA-LLVKDONJSA-N -1 1 327.344 2.680 20 30 EFEDMM C=C[C@H](CC)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000823882976 946499168 /nfs/dbraw/zinc/49/91/68/946499168.db2.gz HLFWSTSZNQQAOA-LLVKDONJSA-N -1 1 327.344 2.680 20 30 EFEDMM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823963225 946527912 /nfs/dbraw/zinc/52/79/12/946527912.db2.gz YMPHLQQYIUHPPP-UHFFFAOYSA-N -1 1 342.413 2.769 20 30 EFEDMM C=C(C)CCC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001573293963 946971509 /nfs/dbraw/zinc/97/15/09/946971509.db2.gz PNWRDZYUXWBQNO-UHFFFAOYSA-N -1 1 337.387 2.656 20 30 EFEDMM C=C(C)CCC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001573293963 946971514 /nfs/dbraw/zinc/97/15/14/946971514.db2.gz PNWRDZYUXWBQNO-UHFFFAOYSA-N -1 1 337.387 2.656 20 30 EFEDMM C=CCCC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001573328565 947409519 /nfs/dbraw/zinc/40/95/19/947409519.db2.gz YONJOGVAXPOWMP-UHFFFAOYSA-N -1 1 334.811 2.637 20 30 EFEDMM O=C([O-])CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC1CC1 ZINC001595069243 951583095 /nfs/dbraw/zinc/58/30/95/951583095.db2.gz AQVAMTFPZZQDIJ-UHFFFAOYSA-N -1 1 327.302 2.733 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001589392404 954336176 /nfs/dbraw/zinc/33/61/76/954336176.db2.gz KUVFTZIVRGHLFZ-UHIISALHSA-N -1 1 349.818 2.581 20 30 EFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CCCC(=O)[O-] ZINC001588542766 958974832 /nfs/dbraw/zinc/97/48/32/958974832.db2.gz DCQJOTDXUDFUFS-CYBMUJFWSA-N -1 1 349.456 2.673 20 30 EFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCCC(=O)[O-] ZINC001588987794 962765478 /nfs/dbraw/zinc/76/54/78/962765478.db2.gz GQJIWPNCLPPETD-ZDUSSCGKSA-N -1 1 349.456 2.816 20 30 EFEDMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000318323524 970425295 /nfs/dbraw/zinc/42/52/95/970425295.db2.gz QGHAXRXSILTGNN-UHFFFAOYSA-N -1 1 336.394 2.622 20 30 EFEDMM CC[C@H](Sc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1)C(=O)[O-] ZINC001609938628 970611092 /nfs/dbraw/zinc/61/10/92/970611092.db2.gz GLFWUOCVDKZPNO-LBPRGKRZSA-N -1 1 345.380 2.685 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001603369209 972892060 /nfs/dbraw/zinc/89/20/60/972892060.db2.gz XLOAQCGGDJZUOL-MDZLAQPJSA-N -1 1 349.818 2.581 20 30 EFEDMM N#CC[C@H]1CCCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001605582064 973864092 /nfs/dbraw/zinc/86/40/92/973864092.db2.gz SNUARQFIXJFRCC-HUUCEWRRSA-N -1 1 331.416 2.706 20 30 EFEDMM CCOC(=O)c1c(C)[nH]c(CN=Nc2ccccc2C(=O)[O-])c1C ZINC000812445815 978869700 /nfs/dbraw/zinc/86/97/00/978869700.db2.gz ASLNMGASJJANKL-UHFFFAOYSA-N -1 1 329.356 2.952 20 30 EFEDMM C#C[C@H](NC[C@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(Br)cc1 ZINC001588377367 983356706 /nfs/dbraw/zinc/35/67/06/983356706.db2.gz LAJHWPYCNIHJKI-SDDRHHMPSA-N -1 1 344.155 2.679 20 30 EFEDMM C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001588434738 983471811 /nfs/dbraw/zinc/47/18/11/983471811.db2.gz RUBDAICKCFUNNN-OLZOCXBDSA-N -1 1 334.441 2.817 20 30 EFEDMM C#Cc1ccc(NC(=O)CCN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588518140 983568097 /nfs/dbraw/zinc/56/80/97/983568097.db2.gz SATXCUAADAEOCW-LLVKDONJSA-N -1 1 343.408 2.502 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001588612503 983702960 /nfs/dbraw/zinc/70/29/60/983702960.db2.gz QVTXJIBVRKRSJH-HOTGVXAUSA-N -1 1 330.428 2.529 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001588612503 983702963 /nfs/dbraw/zinc/70/29/63/983702963.db2.gz QVTXJIBVRKRSJH-HOTGVXAUSA-N -1 1 330.428 2.529 20 30 EFEDMM CC(=O)Nc1cccc2c1CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC001589216193 985714070 /nfs/dbraw/zinc/71/40/70/985714070.db2.gz SASVQRREZNSKOF-LJQANCHMSA-N -1 1 349.390 2.701 20 30 EFEDMM CC(=O)Nc1cccc2c1CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001589216304 985715380 /nfs/dbraw/zinc/71/53/80/985715380.db2.gz XALBGUFGYSTSPN-LJQANCHMSA-N -1 1 349.390 2.701 20 30 EFEDMM CC(C)(C)[C@@H](CC(=O)[O-])NCc1nnc(-c2cccc(C#N)c2)o1 ZINC001589710552 987835587 /nfs/dbraw/zinc/83/55/87/987835587.db2.gz RSZFHEKFAHGZIT-CYBMUJFWSA-N -1 1 328.372 2.587 20 30 EFEDMM CN1CCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001598602785 993586102 /nfs/dbraw/zinc/58/61/02/993586102.db2.gz PXICTRKLUJZNTE-LJQANCHMSA-N -1 1 348.402 2.817 20 30 EFEDMM C[C@@](NCc1csc(C#N)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593311549 994783418 /nfs/dbraw/zinc/78/34/18/994783418.db2.gz HUYSKGWIHKKQNS-HNNXBMFYSA-N -1 1 331.353 2.618 20 30 EFEDMM C[C@@H](Oc1ccccc1CNCc1cccc(OCC#N)c1)C(=O)[O-] ZINC001593648276 995996188 /nfs/dbraw/zinc/99/61/88/995996188.db2.gz HSBXPNVYDVKYSG-CQSZACIVSA-N -1 1 340.379 2.731 20 30 EFEDMM COc1ccc([C@@H](NCc2cncc(C#N)c2)C(=O)[O-])cc1Cl ZINC001599532772 997687655 /nfs/dbraw/zinc/68/76/55/997687655.db2.gz WAYNEKBLCYCLGM-OAHLLOKOSA-N -1 1 331.759 2.531 20 30 EFEDMM CO[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC001599123189 997781661 /nfs/dbraw/zinc/78/16/61/997781661.db2.gz IFZSZRUYTLTHDO-OCCSQVGLSA-N -1 1 342.317 2.641 20 30 EFEDMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cn1 ZINC001647096429 1088899914 /nfs/dbraw/zinc/89/99/14/1088899914.db2.gz AZEABEKCXRUQGK-UHFFFAOYSA-N -1 1 344.440 2.795 20 30 EFEDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2C1 ZINC001647134439 1088972979 /nfs/dbraw/zinc/97/29/79/1088972979.db2.gz JAXQMHUZTJWYBS-QGZVFWFLSA-N -1 1 342.420 2.667 20 30 EFEDMM CCC(C)(C)c1ccc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001576545555 1089322435 /nfs/dbraw/zinc/32/24/35/1089322435.db2.gz JSUVZCQCZOKTFG-UHFFFAOYSA-N -1 1 348.414 2.828 20 30 EFEDMM N#Cc1ccc(NCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001648014732 1089931915 /nfs/dbraw/zinc/93/19/15/1089931915.db2.gz UZGGDDMDHDACLV-UHFFFAOYSA-N -1 1 333.351 2.500 20 30 EFEDMM Cc1ccc(C#N)cc1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001581137503 1091080334 /nfs/dbraw/zinc/08/03/34/1091080334.db2.gz AHNJZMHMFICFPZ-UHFFFAOYSA-N -1 1 343.350 2.780 20 30 EFEDMM Cc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1C#N ZINC001581200845 1091091447 /nfs/dbraw/zinc/09/14/47/1091091447.db2.gz VVMUZDBBDKOBIF-UHFFFAOYSA-N -1 1 342.366 2.602 20 30 EFEDMM Cc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1C#N ZINC001581200845 1091091455 /nfs/dbraw/zinc/09/14/55/1091091455.db2.gz VVMUZDBBDKOBIF-UHFFFAOYSA-N -1 1 342.366 2.602 20 30 EFEDMM C#Cc1cccc(N(C(=O)c2cc(-c3nnn[n-]3)oc2C)C(C)C)c1 ZINC001588374803 1092935587 /nfs/dbraw/zinc/93/55/87/1092935587.db2.gz OPGZKVGWXOPFGF-UHFFFAOYSA-N -1 1 335.367 2.805 20 30 EFEDMM C#Cc1cccc(N(C(=O)c2cc(-c3nn[n-]n3)oc2C)C(C)C)c1 ZINC001588374803 1092935594 /nfs/dbraw/zinc/93/55/94/1092935594.db2.gz OPGZKVGWXOPFGF-UHFFFAOYSA-N -1 1 335.367 2.805 20 30 EFEDMM C=C(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(F)c1 ZINC001588401525 1092941739 /nfs/dbraw/zinc/94/17/39/1092941739.db2.gz SXCDFQALOUCEQV-AWEZNQCLSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(F)c1 ZINC001588401525 1092941745 /nfs/dbraw/zinc/94/17/45/1092941745.db2.gz SXCDFQALOUCEQV-AWEZNQCLSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001588518576 1092951816 /nfs/dbraw/zinc/95/18/16/1092951816.db2.gz GNHFCVKVGWYJQG-ZDUSSCGKSA-N -1 1 334.383 2.584 20 30 EFEDMM C=C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001588518576 1092951823 /nfs/dbraw/zinc/95/18/23/1092951823.db2.gz GNHFCVKVGWYJQG-ZDUSSCGKSA-N -1 1 334.383 2.584 20 30 EFEDMM C=CC[C@@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588531832 1092955998 /nfs/dbraw/zinc/95/59/98/1092955998.db2.gz JSOWIGLNNOVEKS-GFCCVEGCSA-N -1 1 340.412 2.930 20 30 EFEDMM C=CC[C@@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588531832 1092956007 /nfs/dbraw/zinc/95/60/07/1092956007.db2.gz JSOWIGLNNOVEKS-GFCCVEGCSA-N -1 1 340.412 2.930 20 30 EFEDMM C=CCC1(C(=O)OCc2nc(-c3nnn[n-]3)cs2)CCCCC1 ZINC001588556111 1092958568 /nfs/dbraw/zinc/95/85/68/1092958568.db2.gz DUYCUNIPYPPPNQ-UHFFFAOYSA-N -1 1 333.417 2.893 20 30 EFEDMM C=CCC1(C(=O)OCc2nc(-c3nn[n-]n3)cs2)CCCCC1 ZINC001588556111 1092958573 /nfs/dbraw/zinc/95/85/73/1092958573.db2.gz DUYCUNIPYPPPNQ-UHFFFAOYSA-N -1 1 333.417 2.893 20 30 EFEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588560911 1092959563 /nfs/dbraw/zinc/95/95/63/1092959563.db2.gz VKFGNOIYORREIT-QWRGUYRKSA-N -1 1 347.448 2.888 20 30 EFEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588560911 1092959575 /nfs/dbraw/zinc/95/95/75/1092959575.db2.gz VKFGNOIYORREIT-QWRGUYRKSA-N -1 1 347.448 2.888 20 30 EFEDMM C=CCC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001588557532 1092961952 /nfs/dbraw/zinc/96/19/52/1092961952.db2.gz PJKTUMUBJIZQTG-UHFFFAOYSA-N -1 1 346.460 2.864 20 30 EFEDMM C=CCCC[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001588594079 1092967778 /nfs/dbraw/zinc/96/77/78/1092967778.db2.gz KUZFFPWAEJQOQK-ZDUSSCGKSA-N -1 1 337.387 2.668 20 30 EFEDMM C=CCCC[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001588594079 1092967783 /nfs/dbraw/zinc/96/77/83/1092967783.db2.gz KUZFFPWAEJQOQK-ZDUSSCGKSA-N -1 1 337.387 2.668 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001588689259 1092978002 /nfs/dbraw/zinc/97/80/02/1092978002.db2.gz BRIULLMXTQVZAY-UHFFFAOYSA-N -1 1 327.369 2.745 20 30 EFEDMM C=CCOc1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001588689259 1092978012 /nfs/dbraw/zinc/97/80/12/1092978012.db2.gz BRIULLMXTQVZAY-UHFFFAOYSA-N -1 1 327.369 2.745 20 30 EFEDMM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588694717 1092979375 /nfs/dbraw/zinc/97/93/75/1092979375.db2.gz LGEDYGKWXPDOQR-UHFFFAOYSA-N -1 1 340.339 2.724 20 30 EFEDMM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588694717 1092979381 /nfs/dbraw/zinc/97/93/81/1092979381.db2.gz LGEDYGKWXPDOQR-UHFFFAOYSA-N -1 1 340.339 2.724 20 30 EFEDMM C=CCOc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001588690275 1092980411 /nfs/dbraw/zinc/98/04/11/1092980411.db2.gz XVMIZFOZMVEGRI-UHFFFAOYSA-N -1 1 342.380 2.850 20 30 EFEDMM C=CCOc1ccc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1 ZINC001588690148 1092980707 /nfs/dbraw/zinc/98/07/07/1092980707.db2.gz UXGNIPNRXLQKDJ-UHFFFAOYSA-N -1 1 336.355 2.891 20 30 EFEDMM C=CCOc1ccc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1 ZINC001588690148 1092980718 /nfs/dbraw/zinc/98/07/18/1092980718.db2.gz UXGNIPNRXLQKDJ-UHFFFAOYSA-N -1 1 336.355 2.891 20 30 EFEDMM C=CCc1cc(C)cc(OC)c1OCc1nc(-c2nnn[n-]2)cs1 ZINC001588695685 1092981059 /nfs/dbraw/zinc/98/10/59/1092981059.db2.gz ZSMTUQFWQAMOKI-UHFFFAOYSA-N -1 1 343.412 2.948 20 30 EFEDMM C=CCc1cc(C)cc(OC)c1OCc1nc(-c2nn[n-]n2)cs1 ZINC001588695685 1092981067 /nfs/dbraw/zinc/98/10/67/1092981067.db2.gz ZSMTUQFWQAMOKI-UHFFFAOYSA-N -1 1 343.412 2.948 20 30 EFEDMM CC(C)(C#N)CCCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001589034233 1093019713 /nfs/dbraw/zinc/01/97/13/1093019713.db2.gz UOKRJYXPEVCZSA-UHFFFAOYSA-N -1 1 328.401 2.573 20 30 EFEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccc(C#N)cc1N ZINC001213370650 1093023522 /nfs/dbraw/zinc/02/35/22/1093023522.db2.gz JZTFLFUQIMFBJG-UHFFFAOYSA-N -1 1 341.396 2.502 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccn2C2CC2)o1 ZINC001589238260 1093056605 /nfs/dbraw/zinc/05/66/05/1093056605.db2.gz QIUXWXHVIWKKFL-UHFFFAOYSA-N -1 1 340.391 2.735 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)cc2F)o1 ZINC001589664410 1093123655 /nfs/dbraw/zinc/12/36/55/1093123655.db2.gz ALHFGDBBDVWPLL-UHFFFAOYSA-N -1 1 347.329 2.777 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3oncc3c2)o1 ZINC001589774170 1093142834 /nfs/dbraw/zinc/14/28/34/1093142834.db2.gz UGGBOBCSJMZVOQ-UHFFFAOYSA-N -1 1 338.331 2.565 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc3ccccc3[nH]2)o1 ZINC001589773648 1093143142 /nfs/dbraw/zinc/14/31/42/1093143142.db2.gz HREVXVHNZQASHY-UHFFFAOYSA-N -1 1 336.359 2.905 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CC2(Cl)Cl)o1 ZINC001589773889 1093143268 /nfs/dbraw/zinc/14/32/68/1093143268.db2.gz PZSQHEUNXDCZPR-ZCFIWIBFSA-N -1 1 330.179 2.570 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cccc(C2CC2)c1 ZINC001589986839 1093210878 /nfs/dbraw/zinc/21/08/78/1093210878.db2.gz VBPBODGKDJGJGV-SNVBAGLBSA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cccc(C2CC2)c1 ZINC001589986839 1093210884 /nfs/dbraw/zinc/21/08/84/1093210884.db2.gz VBPBODGKDJGJGV-SNVBAGLBSA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@H](c1ccc(Cn2cnc(C#N)c2-c2nn[n-]n2)cc1)C(F)(F)F ZINC001590040594 1093235079 /nfs/dbraw/zinc/23/50/79/1093235079.db2.gz QJQIKTDJLCIDLN-SECBINFHSA-N -1 1 347.304 2.649 20 30 EFEDMM CC1(C)CC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC(C)(C)C1 ZINC001590084149 1093257888 /nfs/dbraw/zinc/25/78/88/1093257888.db2.gz WXRNBHIUJCLXQF-UHFFFAOYSA-N -1 1 326.408 2.545 20 30 EFEDMM CC1(C)CC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC(C)(C)C1 ZINC001590084149 1093257895 /nfs/dbraw/zinc/25/78/95/1093257895.db2.gz WXRNBHIUJCLXQF-UHFFFAOYSA-N -1 1 326.408 2.545 20 30 EFEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590241886 1093330672 /nfs/dbraw/zinc/33/06/72/1093330672.db2.gz YLJLPWMROJXFSG-BBATYDOGSA-N -1 1 349.398 2.550 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001590367487 1093393684 /nfs/dbraw/zinc/39/36/84/1093393684.db2.gz APSIWJBYOHJMOF-ZDUSSCGKSA-N -1 1 335.371 2.555 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001590367487 1093393691 /nfs/dbraw/zinc/39/36/91/1093393691.db2.gz APSIWJBYOHJMOF-ZDUSSCGKSA-N -1 1 335.371 2.555 20 30 EFEDMM CCC(C)(C)c1ccc(Cn2c(C)nc(-c3nn[n-]n3)c2C#N)cc1 ZINC001590379016 1093397543 /nfs/dbraw/zinc/39/75/43/1093397543.db2.gz MVKZLZRODFEFBO-UHFFFAOYSA-N -1 1 335.415 2.979 20 30 EFEDMM CC[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(C)(C)c1ccccc1 ZINC001590472445 1093443862 /nfs/dbraw/zinc/44/38/62/1093443862.db2.gz DFBAWDXKWGEMKL-AWEZNQCLSA-N -1 1 348.414 2.697 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(C)(C)c1ccccc1 ZINC001590472135 1093444192 /nfs/dbraw/zinc/44/41/92/1093444192.db2.gz AVMDKXQIUSXGJT-CQSZACIVSA-N -1 1 348.414 2.697 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(C)(C)c1ccccc1 ZINC001590472135 1093444195 /nfs/dbraw/zinc/44/41/95/1093444195.db2.gz AVMDKXQIUSXGJT-CQSZACIVSA-N -1 1 348.414 2.697 20 30 EFEDMM CC[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(C)(C)c1ccccc1 ZINC001590472447 1093444355 /nfs/dbraw/zinc/44/43/55/1093444355.db2.gz DFBAWDXKWGEMKL-CQSZACIVSA-N -1 1 348.414 2.697 20 30 EFEDMM CCCCCC[C@](C)(CC)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590590026 1093503631 /nfs/dbraw/zinc/50/36/31/1093503631.db2.gz MBIGMIDRKFBIRP-INIZCTEOSA-N -1 1 344.423 2.787 20 30 EFEDMM CCCCCCCCCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001590592671 1093503754 /nfs/dbraw/zinc/50/37/54/1093503754.db2.gz DEPRXEZHJPLJKM-UHFFFAOYSA-N -1 1 333.440 2.988 20 30 EFEDMM CCCCCCCCCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001590592671 1093503760 /nfs/dbraw/zinc/50/37/60/1093503760.db2.gz DEPRXEZHJPLJKM-UHFFFAOYSA-N -1 1 333.440 2.988 20 30 EFEDMM CCCCCCC[C@@H](C)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590593131 1093505702 /nfs/dbraw/zinc/50/57/02/1093505702.db2.gz XTQWGZNXWWXXTN-GFCCVEGCSA-N -1 1 328.424 2.937 20 30 EFEDMM CCCCCCC[C@@H](C)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590593131 1093505710 /nfs/dbraw/zinc/50/57/10/1093505710.db2.gz XTQWGZNXWWXXTN-GFCCVEGCSA-N -1 1 328.424 2.937 20 30 EFEDMM CCN(C(=O)c1coc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590675956 1093544783 /nfs/dbraw/zinc/54/47/83/1093544783.db2.gz AABBVJGIMXKZRH-NSHDSACASA-N -1 1 336.355 2.555 20 30 EFEDMM CCN(C(=O)c1coc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590675956 1093544793 /nfs/dbraw/zinc/54/47/93/1093544793.db2.gz AABBVJGIMXKZRH-NSHDSACASA-N -1 1 336.355 2.555 20 30 EFEDMM CCN(Cc1nc(-c2nnn[n-]2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590721015 1093555206 /nfs/dbraw/zinc/55/52/06/1093555206.db2.gz DWTPHWCQSPHNFM-NSHDSACASA-N -1 1 339.428 2.778 20 30 EFEDMM CCN(Cc1nc(-c2nn[n-]n2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590721015 1093555214 /nfs/dbraw/zinc/55/52/14/1093555214.db2.gz DWTPHWCQSPHNFM-NSHDSACASA-N -1 1 339.428 2.778 20 30 EFEDMM CCOc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC001590836991 1093589824 /nfs/dbraw/zinc/58/98/24/1093589824.db2.gz JBWNHNCJVUATJH-UHFFFAOYSA-N -1 1 341.375 2.823 20 30 EFEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(F)c1 ZINC001591582274 1093780910 /nfs/dbraw/zinc/78/09/10/1093780910.db2.gz FCPPFEZOLYKXRZ-UHFFFAOYSA-N -1 1 345.338 2.572 20 30 EFEDMM COc1ccc(CCC(C)=NOCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001591585683 1093782461 /nfs/dbraw/zinc/78/24/61/1093782461.db2.gz UHLMFYZIOPWEJI-UHFFFAOYSA-N -1 1 341.371 2.994 20 30 EFEDMM COc1ccc(CCC(C)=NOCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001591585683 1093782464 /nfs/dbraw/zinc/78/24/64/1093782464.db2.gz UHLMFYZIOPWEJI-UHFFFAOYSA-N -1 1 341.371 2.994 20 30 EFEDMM Cc1c(C(=O)C=Cc2csc(-c3nn[n-]n3)c2)cnn1C(C)C ZINC001591802065 1093863159 /nfs/dbraw/zinc/86/31/59/1093863159.db2.gz PSYLURXTGWVOFH-PLNGDYQASA-N -1 1 328.401 2.910 20 30 EFEDMM Cc1ccc(C#N)cc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592112931 1093984207 /nfs/dbraw/zinc/98/42/07/1093984207.db2.gz AVLKTMDQHOXNKY-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM Cc1ccc(C#N)cc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592112931 1093984210 /nfs/dbraw/zinc/98/42/10/1093984210.db2.gz AVLKTMDQHOXNKY-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM Cc1ccc([C@H](C)C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001592135933 1093993104 /nfs/dbraw/zinc/99/31/04/1093993104.db2.gz ZBVZOWWMHIALJK-CYBMUJFWSA-N -1 1 336.399 2.591 20 30 EFEDMM Cc1ccc(Cl)c(Sc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001592171021 1094013813 /nfs/dbraw/zinc/01/38/13/1094013813.db2.gz YPUQYNAIPPIGND-UHFFFAOYSA-N -1 1 329.776 2.641 20 30 EFEDMM Cc1ccc(N(CCC#N)C(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001592175161 1094018071 /nfs/dbraw/zinc/01/80/71/1094018071.db2.gz IVOMTRHKCWLWHX-UHFFFAOYSA-N -1 1 338.396 2.797 20 30 EFEDMM Cc1ccncc1CCCN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001592278736 1094064899 /nfs/dbraw/zinc/06/48/99/1094064899.db2.gz FGDYJFGVPYAJPZ-UHFFFAOYSA-N -1 1 340.391 2.712 20 30 EFEDMM Cc1csc([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1C#N ZINC001592321859 1094078392 /nfs/dbraw/zinc/07/83/92/1094078392.db2.gz SEUOTKCCPAHIGM-UHFFFAOYSA-N -1 1 346.322 2.639 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001592500031 1094114089 /nfs/dbraw/zinc/11/40/89/1094114089.db2.gz HQLQGPMOFSEQST-UHFFFAOYSA-N -1 1 328.719 2.546 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001592500031 1094114092 /nfs/dbraw/zinc/11/40/92/1094114092.db2.gz HQLQGPMOFSEQST-UHFFFAOYSA-N -1 1 328.719 2.546 20 30 EFEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccc(-c2ccccc2)cc1 ZINC001592684348 1094176305 /nfs/dbraw/zinc/17/63/05/1094176305.db2.gz MLOZDWCGTZSXAY-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1Cl ZINC001592690141 1094177389 /nfs/dbraw/zinc/17/73/89/1094177389.db2.gz MYVXYLPGNVCDQY-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1Cl ZINC001592690141 1094177391 /nfs/dbraw/zinc/17/73/91/1094177391.db2.gz MYVXYLPGNVCDQY-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM N#Cc1cc(Br)ccc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC001592686971 1094177543 /nfs/dbraw/zinc/17/75/43/1094177543.db2.gz MESJESQTVQZPKX-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1cc(Br)ccc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC001592686971 1094177548 /nfs/dbraw/zinc/17/75/48/1094177548.db2.gz MESJESQTVQZPKX-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)c(Cl)c1 ZINC001592693923 1094179551 /nfs/dbraw/zinc/17/95/51/1094179551.db2.gz GHZCNAWHWVBYKA-UHFFFAOYSA-N -1 1 345.771 2.810 20 30 EFEDMM N#Cc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001592696311 1094180040 /nfs/dbraw/zinc/18/00/40/1094180040.db2.gz XEDUEGRSBOVIQM-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM N#Cc1nc(SCCCCc2ccccc2)cnc1-c1nn[n-]n1 ZINC001592707394 1094183452 /nfs/dbraw/zinc/18/34/52/1094183452.db2.gz BAWUKEFGKSVIJL-UHFFFAOYSA-N -1 1 337.412 2.643 20 30 EFEDMM N#Cc1nc(Nc2cccc(OC3CCCC3)c2)cnc1-c1nnn[n-]1 ZINC001592707404 1094183563 /nfs/dbraw/zinc/18/35/63/1094183563.db2.gz BRWDNIDPOZDWGB-UHFFFAOYSA-N -1 1 348.370 2.593 20 30 EFEDMM N#Cc1nc(Nc2cccc(OC3CCCC3)c2)cnc1-c1nn[n-]n1 ZINC001592707404 1094183567 /nfs/dbraw/zinc/18/35/67/1094183567.db2.gz BRWDNIDPOZDWGB-UHFFFAOYSA-N -1 1 348.370 2.593 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)c1cc[nH]c(=O)c1 ZINC001592791067 1094186503 /nfs/dbraw/zinc/18/65/03/1094186503.db2.gz AVVJCMIUJRQDEW-DUXPYHPUSA-N -1 1 345.721 2.656 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)c1cc[nH]c(=O)c1 ZINC001592791067 1094186508 /nfs/dbraw/zinc/18/65/08/1094186508.db2.gz AVVJCMIUJRQDEW-DUXPYHPUSA-N -1 1 345.721 2.656 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1cc2c(s1)CCC2 ZINC001592804181 1094192424 /nfs/dbraw/zinc/19/24/24/1094192424.db2.gz VNXKFHUKMZXFFL-SNAWJCMRSA-N -1 1 329.410 2.770 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1cc2c(s1)CCC2 ZINC001592804181 1094192426 /nfs/dbraw/zinc/19/24/26/1094192426.db2.gz VNXKFHUKMZXFFL-SNAWJCMRSA-N -1 1 329.410 2.770 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Oc2cc(F)cc(F)c21 ZINC001593376456 1094303123 /nfs/dbraw/zinc/30/31/23/1094303123.db2.gz OADFIMWXSMVADC-YHYXMXQVSA-N -1 1 332.291 2.823 20 30 EFEDMM Cc1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])nn1CCC#N ZINC001598112366 1094656283 /nfs/dbraw/zinc/65/62/83/1094656283.db2.gz DMGFUGMTWLDMKB-UHFFFAOYSA-N -1 1 336.351 2.922 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C#N ZINC001600550603 1095156632 /nfs/dbraw/zinc/15/66/32/1095156632.db2.gz XBCMMFLJRBPUBQ-UHFFFAOYSA-N -1 1 344.392 2.685 20 30 EFEDMM Cc1sc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)nc1C(=O)[O-] ZINC001600880903 1095403265 /nfs/dbraw/zinc/40/32/65/1095403265.db2.gz BHPSJGRJUULVEO-STQMWFEESA-N -1 1 349.456 2.732 20 30 EFEDMM Cc1sc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)nc1C(=O)[O-] ZINC001600880901 1095403752 /nfs/dbraw/zinc/40/37/52/1095403752.db2.gz BHPSJGRJUULVEO-OLZOCXBDSA-N -1 1 349.456 2.732 20 30 EFEDMM Cn1c2ccc(F)cc2c(CNCc2ccc(C#N)cn2)c1C(=O)[O-] ZINC001600901332 1095415589 /nfs/dbraw/zinc/41/55/89/1095415589.db2.gz GUTRILXUMNTULS-UHFFFAOYSA-N -1 1 338.342 2.572 20 30 EFEDMM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(C(=O)[O-])co1 ZINC001601046768 1095477780 /nfs/dbraw/zinc/47/77/80/1095477780.db2.gz BQOWFIBXNAUNMN-NSHDSACASA-N -1 1 332.699 2.592 20 30 EFEDMM N#CC(C(=O)c1cccc(OCC(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC001601046843 1095478690 /nfs/dbraw/zinc/47/86/90/1095478690.db2.gz DQKOCTGXCRWEGX-CYBMUJFWSA-N -1 1 342.376 2.974 20 30 EFEDMM N#C[C@@H](c1ccccc1)N1CCN(CCc2ccccc2C(=O)[O-])CC1 ZINC001601050154 1095479685 /nfs/dbraw/zinc/47/96/85/1095479685.db2.gz VMJRPTQGWATSEI-FQEVSTJZSA-N -1 1 349.434 2.810 20 30 EFEDMM N#CCCN(C(=O)CN1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001601066984 1095488198 /nfs/dbraw/zinc/48/81/98/1095488198.db2.gz NFQFBKWHYOKIGL-MRXNPFEDSA-N -1 1 343.427 2.510 20 30 EFEDMM N#Cc1c(F)cccc1CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001601082034 1095496731 /nfs/dbraw/zinc/49/67/31/1095496731.db2.gz DYUDYKNGLPADJD-DLBZAZTESA-N -1 1 340.354 2.703 20 30 EFEDMM N#Cc1ccc(CCN2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001601097317 1095509997 /nfs/dbraw/zinc/50/99/97/1095509997.db2.gz AYQHBQGXZOADQR-UHFFFAOYSA-N -1 1 341.436 2.683 20 30 EFEDMM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC001601100174 1095511904 /nfs/dbraw/zinc/51/19/04/1095511904.db2.gz HHEJORFQPMFALH-XKQJLSEDSA-N -1 1 332.375 2.542 20 30 EFEDMM N#Cc1ccc(F)c(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001601102939 1095512893 /nfs/dbraw/zinc/51/28/93/1095512893.db2.gz SMVFMZMSOLMLQW-NSHDSACASA-N -1 1 331.372 2.842 20 30 EFEDMM N#Cc1ccccc1-c1ccc(CN2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC001601124399 1095528470 /nfs/dbraw/zinc/52/84/70/1095528470.db2.gz OPXCDGOLUXRQFO-SFHVURJKSA-N -1 1 336.391 2.901 20 30 EFEDMM O=C([O-])[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 ZINC001601647694 1095783441 /nfs/dbraw/zinc/78/34/41/1095783441.db2.gz BVJIWJTYODBUFX-ANOKGEKASA-N -1 1 332.183 2.855 20 30 EFEDMM O=C([O-])c1c(F)cccc1NN=Cc1ccc(-n2cncn2)cc1 ZINC001602231315 1096129704 /nfs/dbraw/zinc/12/97/04/1096129704.db2.gz XFKGIZGMCJQFFY-UHFFFAOYSA-N -1 1 325.303 2.551 20 30 EFEDMM O=C([O-])c1cc2n(n1)CCCC2=NNc1ccc(C(F)(F)F)cn1 ZINC001602306196 1096169062 /nfs/dbraw/zinc/16/90/62/1096169062.db2.gz MPSNRQCJFWDNQE-UHFFFAOYSA-N -1 1 339.277 2.605 20 30 EFEDMM O=C([O-])c1ccccc1N=NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC001602472154 1096263781 /nfs/dbraw/zinc/26/37/81/1096263781.db2.gz VODGTWJWXCNTNC-OAHLLOKOSA-N -1 1 326.352 2.999 20 30 EFEDMM C#CCC1(NCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CCCCC1 ZINC001602699788 1096353606 /nfs/dbraw/zinc/35/36/06/1096353606.db2.gz JPDCHLXWNYQKTO-UHFFFAOYSA-N -1 1 339.395 2.849 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001602778362 1096369543 /nfs/dbraw/zinc/36/95/43/1096369543.db2.gz OMLURCJCFCMVMK-KRWDZBQOSA-N -1 1 330.428 2.703 20 30 EFEDMM C=CC(C)(C)CCCNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001602786632 1096370591 /nfs/dbraw/zinc/37/05/91/1096370591.db2.gz AYTHSQZYIFENLS-UHFFFAOYSA-N -1 1 334.449 2.720 20 30 EFEDMM C=C[C@@H]1CCCCN1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001602803263 1096372984 /nfs/dbraw/zinc/37/29/84/1096372984.db2.gz JXOWZODGRRAIOB-SSDOTTSWSA-N -1 1 339.812 2.549 20 30 EFEDMM C=CCCCCCN(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001602838373 1096381450 /nfs/dbraw/zinc/38/14/50/1096381450.db2.gz VPVREIBIPUSCNB-UHFFFAOYSA-N -1 1 335.358 2.963 20 30 EFEDMM C=CCCCCCN(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001602838373 1096381453 /nfs/dbraw/zinc/38/14/53/1096381453.db2.gz VPVREIBIPUSCNB-UHFFFAOYSA-N -1 1 335.358 2.963 20 30 EFEDMM C=CCC[C@@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001602860670 1096387411 /nfs/dbraw/zinc/38/74/11/1096387411.db2.gz LKLYCUINRUMDQS-CYBMUJFWSA-N -1 1 327.384 2.964 20 30 EFEDMM CC(=NN[C@@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001602906237 1096396830 /nfs/dbraw/zinc/39/68/30/1096396830.db2.gz IJAYKIQCVCQNRZ-NSHDSACASA-N -1 1 342.428 2.709 20 30 EFEDMM CC(=NN[C@H](C)COc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001602906235 1096398027 /nfs/dbraw/zinc/39/80/27/1096398027.db2.gz IJAYKIQCVCQNRZ-LLVKDONJSA-N -1 1 342.428 2.709 20 30 EFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C1SC=CC1=O ZINC001602912485 1096399274 /nfs/dbraw/zinc/39/92/74/1096399274.db2.gz RISRPUVNAWIXAC-UHFFFAOYSA-N -1 1 347.404 2.755 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)C2CC(F)(F)C2)o1 ZINC001602912548 1096399307 /nfs/dbraw/zinc/39/93/07/1096399307.db2.gz USHRGGNGSMDEFU-UHFFFAOYSA-N -1 1 339.350 2.886 20 30 EFEDMM CC(C)(C)c1ccc2c(c1)CCN2c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001603117874 1096449929 /nfs/dbraw/zinc/44/99/29/1096449929.db2.gz NAZXGDHNOZKUPI-UHFFFAOYSA-N -1 1 346.398 2.520 20 30 EFEDMM CC(C)(C)c1ccc2c(c1)CCN2c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603117874 1096449932 /nfs/dbraw/zinc/44/99/32/1096449932.db2.gz NAZXGDHNOZKUPI-UHFFFAOYSA-N -1 1 346.398 2.520 20 30 EFEDMM CC(C)C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1 ZINC001603265222 1096487780 /nfs/dbraw/zinc/48/77/80/1096487780.db2.gz MQHPWHBMVGQMJJ-CYBMUJFWSA-N -1 1 334.387 2.728 20 30 EFEDMM CC(C)C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1 ZINC001603265222 1096487788 /nfs/dbraw/zinc/48/77/88/1096487788.db2.gz MQHPWHBMVGQMJJ-CYBMUJFWSA-N -1 1 334.387 2.728 20 30 EFEDMM CC(C)C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603264311 1096488373 /nfs/dbraw/zinc/48/83/73/1096488373.db2.gz BUTCSZMPRKCTKO-ZDUSSCGKSA-N -1 1 334.387 2.728 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2csc(C3CC3)n2)o1 ZINC001603407380 1096521705 /nfs/dbraw/zinc/52/17/05/1096521705.db2.gz VUZSHMCUYNSADQ-UHFFFAOYSA-N -1 1 344.404 2.758 20 30 EFEDMM CCCCC1CCC(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001604170150 1096760056 /nfs/dbraw/zinc/76/00/56/1096760056.db2.gz QFXRECBROGVKOR-UHFFFAOYSA-N -1 1 340.435 2.937 20 30 EFEDMM CC1(C)CCC[C@](NCC(=O)Nc2ccc(C#N)cc2)(C(=O)[O-])C1 ZINC001604529867 1096894707 /nfs/dbraw/zinc/89/47/07/1096894707.db2.gz JRZOPOMDRBLIHP-GOSISDBHSA-N -1 1 329.400 2.510 20 30 EFEDMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001604636014 1096918990 /nfs/dbraw/zinc/91/89/90/1096918990.db2.gz JOINVPNKFDNUPR-ZIAGYGMSSA-N -1 1 339.395 2.533 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CC#Cc1cccc(Cl)c1 ZINC001604710195 1096936902 /nfs/dbraw/zinc/93/69/02/1096936902.db2.gz GMFLKYUSDAHQMT-ISWURRPUSA-N -1 1 333.815 2.787 20 30 EFEDMM CC[C@@H](C)N(CC(=O)[O-])Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC001604961276 1096988099 /nfs/dbraw/zinc/98/80/99/1096988099.db2.gz DBBVZGMUAUNTPE-CYBMUJFWSA-N -1 1 326.400 2.738 20 30 EFEDMM COc1ccc2cc(CN=Nc3oc(C)nc3-c3nn[n-]n3)ccc2c1 ZINC001605311657 1097092164 /nfs/dbraw/zinc/09/21/64/1097092164.db2.gz NPQKVXSNNRFFJV-UHFFFAOYSA-N -1 1 349.354 2.771 20 30 EFEDMM Cc1cc(C#N)cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001605588477 1097163872 /nfs/dbraw/zinc/16/38/72/1097163872.db2.gz DIAKWZJANYHECZ-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM Cc1cc(C#N)cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001605588477 1097163877 /nfs/dbraw/zinc/16/38/77/1097163877.db2.gz DIAKWZJANYHECZ-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC001605834131 1097244339 /nfs/dbraw/zinc/24/43/39/1097244339.db2.gz IOSASDQNBQXFGK-UHFFFAOYSA-N -1 1 325.376 2.907 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCc1ccc2ccccc2c1 ZINC001606018516 1097300426 /nfs/dbraw/zinc/30/04/26/1097300426.db2.gz XXCPXYQRVZRLKS-UHFFFAOYSA-N -1 1 329.367 2.639 20 30 EFEDMM Cc1cccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1C#N ZINC001167935899 1097348992 /nfs/dbraw/zinc/34/89/92/1097348992.db2.gz FIAAFFBRQAHKCF-UHFFFAOYSA-N -1 1 328.308 2.951 20 30 EFEDMM CN1CCC[C@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001606230093 1097356084 /nfs/dbraw/zinc/35/60/84/1097356084.db2.gz PXICTRKLUJZNTE-IBGZPJMESA-N -1 1 348.402 2.817 20 30 EFEDMM N#Cc1cc(Br)ccc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001606360561 1097392349 /nfs/dbraw/zinc/39/23/49/1097392349.db2.gz XBWOMYQTVCJFHP-UHFFFAOYSA-N -1 1 346.144 2.673 20 30 EFEDMM N#Cc1cc(Br)ccc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001606360561 1097392352 /nfs/dbraw/zinc/39/23/52/1097392352.db2.gz XBWOMYQTVCJFHP-UHFFFAOYSA-N -1 1 346.144 2.673 20 30 EFEDMM N#Cc1c2c(sc1NC(=O)c1csc(-c3nn[n-]n3)c1)CCC2 ZINC001606358393 1097392588 /nfs/dbraw/zinc/39/25/88/1097392588.db2.gz PLDMUOOOENDUFB-UHFFFAOYSA-N -1 1 342.409 2.602 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccccc12 ZINC001606361385 1097392655 /nfs/dbraw/zinc/39/26/55/1097392655.db2.gz PMUSABZEQGHGAU-UHFFFAOYSA-N -1 1 347.363 2.600 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc12 ZINC001606361385 1097392659 /nfs/dbraw/zinc/39/26/59/1097392659.db2.gz PMUSABZEQGHGAU-UHFFFAOYSA-N -1 1 347.363 2.600 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1C1CC1 ZINC001606361314 1097392686 /nfs/dbraw/zinc/39/26/86/1097392686.db2.gz MOKTVWAMUNILSH-UHFFFAOYSA-N -1 1 336.380 2.930 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1C1CC1 ZINC001606361314 1097392692 /nfs/dbraw/zinc/39/26/92/1097392692.db2.gz MOKTVWAMUNILSH-UHFFFAOYSA-N -1 1 336.380 2.930 20 30 EFEDMM N#Cc1cc(OCc2ccc(-c3nnn[n-]3)o2)ccc1Br ZINC001606364131 1097393584 /nfs/dbraw/zinc/39/35/84/1097393584.db2.gz XFQNMBQYDJFCRW-UHFFFAOYSA-N -1 1 346.144 2.673 20 30 EFEDMM N#Cc1cc(OCc2ccc(-c3nn[n-]n3)o2)ccc1Br ZINC001606364131 1097393590 /nfs/dbraw/zinc/39/35/90/1097393590.db2.gz XFQNMBQYDJFCRW-UHFFFAOYSA-N -1 1 346.144 2.673 20 30 EFEDMM N#Cc1ncc(NCCCCCCc2ccccc2)nc1-c1nn[n-]n1 ZINC001606398372 1097397815 /nfs/dbraw/zinc/39/78/15/1097397815.db2.gz YWXBIHPVHVOXCA-UHFFFAOYSA-N -1 1 348.414 2.743 20 30 EFEDMM N#Cc1ncc(Oc2ccc(C3CC3)cc2Cl)nc1-c1nn[n-]n1 ZINC001606398305 1097398253 /nfs/dbraw/zinc/39/82/53/1097398253.db2.gz VUJSCVCSZVUDRG-UHFFFAOYSA-N -1 1 339.746 2.851 20 30 EFEDMM O=C(C=Cc1c(F)ccc(O)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC001606482193 1097405468 /nfs/dbraw/zinc/40/54/68/1097405468.db2.gz KENQZPPVXNAMSQ-IWQZZHSRSA-N -1 1 334.307 2.808 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482589 1097405529 /nfs/dbraw/zinc/40/55/29/1097405529.db2.gz PVLWJXDCXCUFSL-DJWKRKHSSA-N -1 1 339.336 2.671 20 30 EFEDMM O=C1c2cccc(Cl)c2CC1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001607037800 1097502023 /nfs/dbraw/zinc/50/20/23/1097502023.db2.gz PXZCIEHCZSDTCB-ALCCZGGFSA-N -1 1 329.772 2.799 20 30 EFEDMM O=C1c2cccc(Cl)c2CC1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001607037800 1097502024 /nfs/dbraw/zinc/50/20/24/1097502024.db2.gz PXZCIEHCZSDTCB-ALCCZGGFSA-N -1 1 329.772 2.799 20 30 EFEDMM COc1cc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])ccc1C#N ZINC001607163907 1097548727 /nfs/dbraw/zinc/54/87/27/1097548727.db2.gz KJMIDGLUBAWGAS-ZDUSSCGKSA-N -1 1 340.379 2.881 20 30 EFEDMM COc1ccc([C@H](NCc2cc(Cl)cc(C#N)c2)C(=O)[O-])cc1O ZINC001607233744 1097568762 /nfs/dbraw/zinc/56/87/62/1097568762.db2.gz ACBSVRFPRCDGTH-INIZCTEOSA-N -1 1 346.770 2.841 20 30 EFEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC001607461181 1097633006 /nfs/dbraw/zinc/63/30/06/1097633006.db2.gz USVQAENYMKAPKZ-MEDUHNTESA-N -1 1 325.324 2.943 20 30 EFEDMM N#CCc1cccc2c1CCN(Cc1ccc(OCC(=O)[O-])cc1)C2 ZINC001608189167 1097855112 /nfs/dbraw/zinc/85/51/12/1097855112.db2.gz FZJBCJNUMSSSFA-UHFFFAOYSA-N -1 1 336.391 2.774 20 30 EFEDMM N#Cc1c(N)sc2c1CCN([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC001608194389 1097857565 /nfs/dbraw/zinc/85/75/65/1097857565.db2.gz OUAFXGYKYUJQQP-CQSZACIVSA-N -1 1 331.372 2.525 20 30 EFEDMM N#Cc1ccc(CN2CCC[C@@H]3C[C@@]32C(=O)[O-])c(Br)c1 ZINC001608205093 1097862908 /nfs/dbraw/zinc/86/29/08/1097862908.db2.gz TXSGYFVFAMDRLB-DOMZBBRYSA-N -1 1 335.201 2.760 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3c3ccccc3)[nH]c2c1 ZINC001608213482 1097864796 /nfs/dbraw/zinc/86/47/96/1097864796.db2.gz NFXMUOFJVKGLCQ-DJJJIMSYSA-N -1 1 346.346 2.632 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)[C@]3(C(=O)[O-])C[C@@H]3c3ccccc3)[nH]c2c1 ZINC001608213484 1097865217 /nfs/dbraw/zinc/86/52/17/1097865217.db2.gz NFXMUOFJVKGLCQ-YJYMSZOUSA-N -1 1 346.346 2.632 20 30 EFEDMM C#CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609020281 1098112852 /nfs/dbraw/zinc/11/28/52/1098112852.db2.gz XBORPYISEHEOCU-HNNXBMFYSA-N -1 1 334.339 2.951 20 30 EFEDMM C#CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609020281 1098112855 /nfs/dbraw/zinc/11/28/55/1098112855.db2.gz XBORPYISEHEOCU-HNNXBMFYSA-N -1 1 334.339 2.951 20 30 EFEDMM C#C[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1F ZINC001609020286 1098113315 /nfs/dbraw/zinc/11/33/15/1098113315.db2.gz XKGLRYPKCYSYLV-GFCCVEGCSA-N -1 1 343.753 2.544 20 30 EFEDMM C#C[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1F ZINC001609020286 1098113321 /nfs/dbraw/zinc/11/33/21/1098113321.db2.gz XKGLRYPKCYSYLV-GFCCVEGCSA-N -1 1 343.753 2.544 20 30 EFEDMM C=CCc1ccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)c(OC)c1 ZINC001609059349 1098125485 /nfs/dbraw/zinc/12/54/85/1098125485.db2.gz IJKBSKKCPLYAEQ-UHFFFAOYSA-N -1 1 340.339 2.724 20 30 EFEDMM C=CCc1ccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)c(OC)c1 ZINC001609059349 1098125489 /nfs/dbraw/zinc/12/54/89/1098125489.db2.gz IJKBSKKCPLYAEQ-UHFFFAOYSA-N -1 1 340.339 2.724 20 30 EFEDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001609126940 1098157807 /nfs/dbraw/zinc/15/78/07/1098157807.db2.gz PDKHQQLXXUTSDR-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001609126940 1098157810 /nfs/dbraw/zinc/15/78/10/1098157810.db2.gz PDKHQQLXXUTSDR-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(-c3nn[nH]n3)c(C)c1)O2 ZINC001609399865 1098289524 /nfs/dbraw/zinc/28/95/24/1098289524.db2.gz RMADMMCEBZZDJG-VIZOYTHASA-N -1 1 334.335 2.805 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1ccc(-c2ccccc2)cc1 ZINC001609445871 1098328710 /nfs/dbraw/zinc/32/87/10/1098328710.db2.gz YHSMMKZJZPCAPT-UHFFFAOYSA-N -1 1 341.378 2.959 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC2CCC(C(F)(F)F)CC2)o1 ZINC001609445909 1098328769 /nfs/dbraw/zinc/32/87/69/1098328769.db2.gz AAMXMXYINCRYEA-UHFFFAOYSA-N -1 1 343.313 2.930 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)COc2ccc(Cl)cc21 ZINC001609585764 1098393287 /nfs/dbraw/zinc/39/32/87/1098393287.db2.gz DXJOULXKHOGAHC-CLTKARDFSA-N -1 1 345.771 2.635 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)COc2ccc(Cl)cc21 ZINC001609585764 1098393291 /nfs/dbraw/zinc/39/32/91/1098393291.db2.gz DXJOULXKHOGAHC-CLTKARDFSA-N -1 1 345.771 2.635 20 30 EFEDMM CC(C)(NCCCOc1cccc(C#N)c1)c1nocc1C(=O)[O-] ZINC001609680225 1098425592 /nfs/dbraw/zinc/42/55/92/1098425592.db2.gz AHSSLYNRQBXUCM-UHFFFAOYSA-N -1 1 329.356 2.538 20 30 EFEDMM Cc1cc(N2CCC(C#N)(C(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001610468889 1098695628 /nfs/dbraw/zinc/69/56/28/1098695628.db2.gz FVDFTWBKCCZBBY-UHFFFAOYSA-N -1 1 340.339 2.646 20 30 EFEDMM Cc1nccc([C@H]2CCCN(Cc3cccc(C(=O)[O-])c3C#N)C2)n1 ZINC001610564488 1098756065 /nfs/dbraw/zinc/75/60/65/1098756065.db2.gz SDZZWDBJWMWVBZ-HNNXBMFYSA-N -1 1 336.395 2.735 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN(C)C2(C(=O)[O-])CCCC2)c1C#N ZINC001610567338 1098757380 /nfs/dbraw/zinc/75/73/80/1098757380.db2.gz UZGHAWKKTWWVDJ-UHFFFAOYSA-N -1 1 338.411 2.882 20 30 EFEDMM N#Cc1cc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)ccn1 ZINC001610626080 1098791321 /nfs/dbraw/zinc/79/13/21/1098791321.db2.gz MLUJKKZPXOYUFZ-UHFFFAOYSA-N -1 1 331.322 2.708 20 30 EFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCC(C)(C)C#N ZINC000783260422 1098970448 /nfs/dbraw/zinc/97/04/48/1098970448.db2.gz AELQRTQEZOQLES-UHFFFAOYSA-N -1 1 338.429 2.935 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-n2ccnc2)cc1 ZINC001611053473 1098975434 /nfs/dbraw/zinc/97/54/34/1098975434.db2.gz ZNXFFQWOJXPHRP-CYBMUJFWSA-N -1 1 332.363 2.941 20 30 EFEDMM N#CCCN(Cc1ccccn1)C(=O)c1ncc2ccccc2c1[O-] ZINC001616435302 1099179244 /nfs/dbraw/zinc/17/92/44/1099179244.db2.gz WIDXPNJBPHYPKJ-UHFFFAOYSA-N -1 1 332.363 2.891 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@H](O)c2cccc3ccccc32)cc1[O-] ZINC001632591652 1100486356 /nfs/dbraw/zinc/48/63/56/1100486356.db2.gz JDBSHKZZKGNEOK-IBGZPJMESA-N -1 1 332.359 2.880 20 30 EFEDMM C#CCOc1ccc([C@H](C)OC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000796860113 1100736944 /nfs/dbraw/zinc/73/69/44/1100736944.db2.gz IPDMKJBLNZDDIR-LBPRGKRZSA-N -1 1 327.336 2.731 20 30 EFEDMM N#Cc1cccc(-n2ccc(C(=O)Nc3cc([O-])c(F)cc3F)n2)c1 ZINC001637371476 1100777536 /nfs/dbraw/zinc/77/75/36/1100777536.db2.gz YHVWXWWZVUHGJQ-UHFFFAOYSA-N -1 1 340.289 2.980 20 30 EFEDMM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc([O-])c2F)n1 ZINC001638357260 1100851457 /nfs/dbraw/zinc/85/14/57/1100851457.db2.gz DPTYBOWIWNGUDQ-UHFFFAOYSA-N -1 1 340.289 2.980 20 30 EFEDMM C=CCN1CCC2(CCN(C(=O)c3c([O-])cccc3Cl)CC2)C1=O ZINC001271648780 1102208046 /nfs/dbraw/zinc/20/80/46/1102208046.db2.gz YFTVDADGSIKSET-UHFFFAOYSA-N -1 1 348.830 2.686 20 30 EFEDMM N#Cc1ccccc1Cn1cccc1C=C1SC(=S)[N-]C1=O ZINC000588542718 1103257728 /nfs/dbraw/zinc/25/77/28/1103257728.db2.gz MBKCZNUPVAUWLK-ZSOIEALJSA-N -1 1 325.418 2.897 20 30 EFEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1c(F)cccc1F ZINC000785413646 1103924829 /nfs/dbraw/zinc/92/48/29/1103924829.db2.gz LEFILSSQCAEFMV-RHSMWYFYSA-N -1 1 346.333 2.784 20 30 EFEDMM CCCCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)c(C)n1 ZINC000903149833 1107042977 /nfs/dbraw/zinc/04/29/77/1107042977.db2.gz KHOBXHVYBCLVAA-UHFFFAOYSA-N -1 1 336.392 2.803 20 30 EFEDMM C=CCN1CC[C@]2(CCCN(C(=O)c3ccc([O-])cc3F)CC2)C1=O ZINC001272224840 1108062629 /nfs/dbraw/zinc/06/26/29/1108062629.db2.gz QSMXHOUZQGBMRS-LJQANCHMSA-N -1 1 346.402 2.562 20 30 EFEDMM C[C@@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)c1ncccc1[O-] ZINC001089273234 1108369618 /nfs/dbraw/zinc/36/96/18/1108369618.db2.gz VWFPYWWMVLHIHZ-RYUDHWBXSA-N -1 1 342.374 2.807 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000785416305 1108683320 /nfs/dbraw/zinc/68/33/20/1108683320.db2.gz YYHQOCUDETXUIX-INIZCTEOSA-N -1 1 335.363 2.875 20 30 EFEDMM C=C1CCC(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)CC1 ZINC000898991344 1109164478 /nfs/dbraw/zinc/16/44/78/1109164478.db2.gz WSXIHHCZWLDIJR-YPMHNXCESA-N -1 1 332.366 2.648 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc3ccccc3c2)c2ccccc21 ZINC000914600362 1111283557 /nfs/dbraw/zinc/28/35/57/1111283557.db2.gz RZFBHEIHZHJTDF-UHFFFAOYSA-N -1 1 335.388 2.912 20 30 EFEDMM Cc1cc(C)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000914600142 1111283608 /nfs/dbraw/zinc/28/36/08/1111283608.db2.gz PBSPQOJTWSLLIB-UHFFFAOYSA-N -1 1 327.409 2.684 20 30 EFEDMM N#CCCCN1CC[C@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616530 1111747549 /nfs/dbraw/zinc/74/75/49/1111747549.db2.gz LJIGJLQJWHUUBK-GOSISDBHSA-N -1 1 349.381 2.541 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc([N+](=O)[O-])c1F ZINC000154228569 1111998721 /nfs/dbraw/zinc/99/87/21/1111998721.db2.gz BGGOVQOWTVLOHU-UHFFFAOYSA-N -1 1 335.316 2.715 20 30 EFEDMM N#CC1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3N)cc2)CC1 ZINC001212262484 1112408019 /nfs/dbraw/zinc/40/80/19/1112408019.db2.gz DVLKGXKWPISBPF-UHFFFAOYSA-N -1 1 331.372 2.764 20 30 EFEDMM C#C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000185309247 1119994066 /nfs/dbraw/zinc/99/40/66/1119994066.db2.gz MNMKVUUVUDUSCV-AWEZNQCLSA-N -1 1 342.420 2.547 20 30 EFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000055548014 214329794 /nfs/dbraw/zinc/32/97/94/214329794.db2.gz GKPNZISDMQQBHY-UHFFFAOYSA-N -1 1 334.372 2.542 20 30 EFEDMM N#Cc1ccc(CN(CC(=O)[N-]OCc2ccccc2)C2CC2)cc1 ZINC000180450006 233868210 /nfs/dbraw/zinc/86/82/10/233868210.db2.gz HUZQSOUHOWJMPF-UHFFFAOYSA-N -1 1 335.407 2.771 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000189152613 283129219 /nfs/dbraw/zinc/12/92/19/283129219.db2.gz HBLAIOWQXOQUBD-OAHLLOKOSA-N -1 1 341.798 2.926 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(Br)c2)c(=O)o1 ZINC000023640464 212387538 /nfs/dbraw/zinc/38/75/38/212387538.db2.gz ZOALIJLVCRHSJJ-GJBLVYBDSA-N -1 1 335.153 2.677 20 30 EFEDMM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000193326881 240095767 /nfs/dbraw/zinc/09/57/67/240095767.db2.gz PGZDORPBSWLQRR-VXGBXAGGSA-N -1 1 328.459 2.857 20 30 EFEDMM C=CC[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230895306 240235018 /nfs/dbraw/zinc/23/50/18/240235018.db2.gz LGBIWQPSNLPTIF-QMMMGPOBSA-N -1 1 331.153 2.691 20 30 EFEDMM CC1(C#N)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000290856913 241020560 /nfs/dbraw/zinc/02/05/60/241020560.db2.gz KCTUWHSAUIDREI-UHFFFAOYSA-N -1 1 346.184 2.689 20 30 EFEDMM Cc1cc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)nc(C)n1 ZINC000329138323 241313083 /nfs/dbraw/zinc/31/30/83/241313083.db2.gz IEHXDNUQKLLCEI-UHFFFAOYSA-N -1 1 329.404 2.700 20 30 EFEDMM N#CCCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000355593585 242040729 /nfs/dbraw/zinc/04/07/29/242040729.db2.gz VHOHYIVVDCEASQ-UHFFFAOYSA-N -1 1 334.173 2.736 20 30 EFEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000355865120 242050918 /nfs/dbraw/zinc/05/09/18/242050918.db2.gz IEDYQENKYHGGPJ-UHFFFAOYSA-N -1 1 334.372 2.902 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(F)c2)n1 ZINC000354691664 242012661 /nfs/dbraw/zinc/01/26/61/242012661.db2.gz YXZPVVMGAOPFOE-JTQLQIEISA-N -1 1 348.355 2.958 20 30 EFEDMM Cc1c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2nn1C ZINC000359602890 242157343 /nfs/dbraw/zinc/15/73/43/242157343.db2.gz TZSYUPCAVYTHAW-UHFFFAOYSA-N -1 1 340.408 2.749 20 30 EFEDMM CC(C)[C@@H](C#N)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000362757183 242267095 /nfs/dbraw/zinc/26/70/95/242267095.db2.gz GDSJWFLZNLXLAA-LLVKDONJSA-N -1 1 348.200 2.981 20 30 EFEDMM C#CCCCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363952319 242287470 /nfs/dbraw/zinc/28/74/70/242287470.db2.gz KJRNRKIGJHEDDL-UHFFFAOYSA-N -1 1 328.412 2.800 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000416934422 244921584 /nfs/dbraw/zinc/92/15/84/244921584.db2.gz DOWPJPNNAJPLTN-INIZCTEOSA-N -1 1 340.445 2.672 20 30 EFEDMM C=CCCS(=O)(=O)[N-]c1cc(Br)c(F)cc1OC ZINC000416959580 244933013 /nfs/dbraw/zinc/93/30/13/244933013.db2.gz VCILFAGYIBTRDV-UHFFFAOYSA-N -1 1 338.198 2.915 20 30 EFEDMM C=CC[C@@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000425320360 247040990 /nfs/dbraw/zinc/04/09/90/247040990.db2.gz KUWBTOQJCGPFTP-OAHLLOKOSA-N -1 1 327.384 2.841 20 30 EFEDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427135836 247321404 /nfs/dbraw/zinc/32/14/04/247321404.db2.gz GDWIJXZNEXBJTO-UHFFFAOYSA-N -1 1 347.371 2.847 20 30 EFEDMM CC(=Cc1ccc(C(=O)[O-])cc1Cl)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340082 248227924 /nfs/dbraw/zinc/22/79/24/248227924.db2.gz BUJGCQAZRRTTHB-VMPITWQZSA-N -1 1 329.743 2.862 20 30 EFEDMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435418679 248238758 /nfs/dbraw/zinc/23/87/58/248238758.db2.gz RCXJKAYUZADHHM-VIFPVBQESA-N -1 1 326.365 2.875 20 30 EFEDMM CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442625150 250091409 /nfs/dbraw/zinc/09/14/09/250091409.db2.gz SRSGYRIGWLALOZ-UHFFFAOYSA-N -1 1 337.379 2.537 20 30 EFEDMM CCCCCC(=O)NC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000442619925 250091635 /nfs/dbraw/zinc/09/16/35/250091635.db2.gz MNBJRZQDWXLJOO-UHFFFAOYSA-N -1 1 343.427 2.565 20 30 EFEDMM CC(C)(C)Oc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000443111117 250161949 /nfs/dbraw/zinc/16/19/49/250161949.db2.gz PAPLVHAWFNZPMJ-UHFFFAOYSA-N -1 1 325.368 2.766 20 30 EFEDMM N#CCSCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444386073 250296684 /nfs/dbraw/zinc/29/66/84/250296684.db2.gz UXYMDSZAXMGFHX-UHFFFAOYSA-N -1 1 347.440 2.650 20 30 EFEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000326863187 141503429 /nfs/dbraw/zinc/50/34/29/141503429.db2.gz WPVGTTIWLOIZQM-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)o1 ZINC000342464312 145131673 /nfs/dbraw/zinc/13/16/73/145131673.db2.gz IJVRFXKTJPDXMA-UHFFFAOYSA-N -1 1 338.295 2.766 20 30 EFEDMM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cccc(C)c1 ZINC000344225231 145396385 /nfs/dbraw/zinc/39/63/85/145396385.db2.gz SMQUFXQCGFQMDI-CYBMUJFWSA-N -1 1 334.397 2.596 20 30 EFEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)[nH]n1 ZINC000350682964 146080070 /nfs/dbraw/zinc/08/00/70/146080070.db2.gz DIZJBVRNYMHIKO-UHFFFAOYSA-N -1 1 338.820 2.934 20 30 EFEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc12 ZINC000359594201 148132982 /nfs/dbraw/zinc/13/29/82/148132982.db2.gz LRLGYUJIXASERO-UHFFFAOYSA-N -1 1 340.408 2.863 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)cc1[O-] ZINC000360479661 148371702 /nfs/dbraw/zinc/37/17/02/148371702.db2.gz PXNZKEQDXNIUJE-OAHLLOKOSA-N -1 1 330.771 2.771 20 30 EFEDMM N#Cc1ccsc1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351292461 164604603 /nfs/dbraw/zinc/60/46/03/164604603.db2.gz VOVSXKOUDSFONU-UHFFFAOYSA-N -1 1 342.352 2.784 20 30 EFEDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NO)cc2)cc1 ZINC000147490497 544700772 /nfs/dbraw/zinc/70/07/72/544700772.db2.gz XNPLYQHUCJHHLX-UHFFFAOYSA-N -1 1 348.424 2.904 20 30 EFEDMM C=C(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000161303044 544812726 /nfs/dbraw/zinc/81/27/26/544812726.db2.gz WXPFMUYUOBRIHM-UHFFFAOYSA-N -1 1 330.409 2.793 20 30 EFEDMM COc1cccc([C@H](CC(=O)[O-])NCc2cc(C#N)cs2)c1OC ZINC000417584829 269795250 /nfs/dbraw/zinc/79/52/50/269795250.db2.gz OEQRAAXOVYZKAH-AWEZNQCLSA-N -1 1 346.408 2.943 20 30 EFEDMM Cc1cc(NS(=O)(=O)c2cccc(C)c2C#N)cc(C(=O)[O-])c1 ZINC000507568976 270033884 /nfs/dbraw/zinc/03/38/84/270033884.db2.gz PLRQWNJNBNTJSL-UHFFFAOYSA-N -1 1 330.365 2.674 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1[O-] ZINC000188427649 265133910 /nfs/dbraw/zinc/13/39/10/265133910.db2.gz WNXSOSRYUFYILQ-KRWDZBQOSA-N -1 1 344.317 2.756 20 30 EFEDMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188603809 265142400 /nfs/dbraw/zinc/14/24/00/265142400.db2.gz GPLAYSDLPFXQPU-YYUOZPCZSA-N -1 1 342.420 2.834 20 30 EFEDMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188603856 265142710 /nfs/dbraw/zinc/14/27/10/265142710.db2.gz GPLAYSDLPFXQPU-OIRASMEMSA-N -1 1 342.420 2.834 20 30 EFEDMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188603784 265142810 /nfs/dbraw/zinc/14/28/10/265142810.db2.gz GPLAYSDLPFXQPU-MCFWBGNESA-N -1 1 342.420 2.834 20 30 EFEDMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000331928593 266388488 /nfs/dbraw/zinc/38/84/88/266388488.db2.gz GOBBJHHHQLDQPE-RDDDGLTNSA-N -1 1 347.209 2.537 20 30 EFEDMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc21 ZINC000427198521 267262892 /nfs/dbraw/zinc/26/28/92/267262892.db2.gz HQNUVQPDRJKKMN-UHFFFAOYSA-N -1 1 344.371 2.868 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cc(Cl)cc3c2OCC3)cc1[O-] ZINC000189212029 268036006 /nfs/dbraw/zinc/03/60/06/268036006.db2.gz GMGCNTOYLLPRJL-UHFFFAOYSA-N -1 1 328.755 2.782 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1F ZINC000357460964 268162238 /nfs/dbraw/zinc/16/22/38/268162238.db2.gz AETZRDHWRMODSA-UHFFFAOYSA-N -1 1 332.356 2.823 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000523501449 268258913 /nfs/dbraw/zinc/25/89/13/268258913.db2.gz WUBGNWRUIMHOIU-CYBMUJFWSA-N -1 1 341.314 2.535 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C#N)c2C)n1 ZINC000338582619 269668183 /nfs/dbraw/zinc/66/81/83/269668183.db2.gz VWUKJNFHAPEUGJ-ZDUSSCGKSA-N -1 1 339.376 2.990 20 30 EFEDMM C=C[C@H]1CCCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000428042945 275752375 /nfs/dbraw/zinc/75/23/75/275752375.db2.gz NNJYXGVZQINKGQ-AWEZNQCLSA-N -1 1 328.416 2.551 20 30 EFEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000171820519 277489501 /nfs/dbraw/zinc/48/95/01/277489501.db2.gz NZXFSZUGKVSGRS-UHFFFAOYSA-N -1 1 344.396 2.558 20 30 EFEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1F ZINC000126513261 293041518 /nfs/dbraw/zinc/04/15/18/293041518.db2.gz UWHJKKQPNGIMCJ-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM CC(F)(F)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000549903116 318184415 /nfs/dbraw/zinc/18/44/15/318184415.db2.gz DSDMRDWZFYVCNM-UHFFFAOYSA-N -1 1 328.262 2.511 20 30 EFEDMM CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553424677 318282589 /nfs/dbraw/zinc/28/25/89/318282589.db2.gz MYPMVUAWCFMASD-UHFFFAOYSA-N -1 1 332.425 2.970 20 30 EFEDMM Cc1cc(C#N)cnc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000556688946 318399111 /nfs/dbraw/zinc/39/91/11/318399111.db2.gz VQWDUZLGQNGZDW-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM CCC[C@H](C)S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2F)n1 ZINC000565368608 318963650 /nfs/dbraw/zinc/96/36/50/318963650.db2.gz RZMMDJZHXDJCQF-NSHDSACASA-N -1 1 336.392 2.813 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2F)c1 ZINC000187039801 323415715 /nfs/dbraw/zinc/41/57/15/323415715.db2.gz WDYYVXABDOINER-UHFFFAOYSA-N -1 1 326.736 2.857 20 30 EFEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000161259866 473221503 /nfs/dbraw/zinc/22/15/03/473221503.db2.gz ARJYZASRFQQNIE-UHFFFAOYSA-N -1 1 348.399 2.932 20 30 EFEDMM N#C[C@]1([N-]S(=O)(=O)c2cc(F)ccc2F)CCc2ccccc2C1 ZINC000185150869 473344463 /nfs/dbraw/zinc/34/44/63/473344463.db2.gz FCEMOWDQIHJVDK-KRWDZBQOSA-N -1 1 348.374 2.694 20 30 EFEDMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 ZINC000083577473 473351657 /nfs/dbraw/zinc/35/16/57/473351657.db2.gz SPZCNFVXCLODIU-UHFFFAOYSA-N -1 1 346.799 2.899 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000614298337 469902762 /nfs/dbraw/zinc/90/27/62/469902762.db2.gz KMYHCLRHRSONGV-UHFFFAOYSA-N -1 1 349.306 2.814 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000416959971 477387609 /nfs/dbraw/zinc/38/76/09/477387609.db2.gz QGXLQDSRQDSHRE-GFCCVEGCSA-N -1 1 348.453 2.707 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1CC(=O)OC(C)(C)C ZINC000416959990 477387746 /nfs/dbraw/zinc/38/77/46/477387746.db2.gz QKANUHNTGBQVNZ-ZDUSSCGKSA-N -1 1 338.429 2.615 20 30 EFEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000011443579 471750981 /nfs/dbraw/zinc/75/09/81/471750981.db2.gz OFLLHJFXLKEBNP-LBPRGKRZSA-N -1 1 348.472 2.546 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1Cl ZINC000025766656 472110311 /nfs/dbraw/zinc/11/03/11/472110311.db2.gz CJIPBPQLIRZSCU-UHFFFAOYSA-N -1 1 347.783 2.507 20 30 EFEDMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026254723 472128884 /nfs/dbraw/zinc/12/88/84/472128884.db2.gz KYLBSHBBCHTTIJ-SSDOTTSWSA-N -1 1 325.250 2.751 20 30 EFEDMM CCn1c(C2CCN(C(=O)C3(C#N)CCCC3)CC2)n[n-]c1=S ZINC000068453878 472194116 /nfs/dbraw/zinc/19/41/16/472194116.db2.gz VBEJZRGSLAHCPV-UHFFFAOYSA-N -1 1 333.461 2.751 20 30 EFEDMM COc1ccc(C(C)=O)cc1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029388937 472272206 /nfs/dbraw/zinc/27/22/06/472272206.db2.gz ZWPJYCDPFYFTHU-UHFFFAOYSA-N -1 1 342.277 2.865 20 30 EFEDMM CC(=O)Nc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1C ZINC000076355609 472329229 /nfs/dbraw/zinc/32/92/29/472329229.db2.gz CNPXBNKYBKHMBM-UHFFFAOYSA-N -1 1 327.266 2.727 20 30 EFEDMM CC(=O)Nc1nc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cs1 ZINC000030635845 472343159 /nfs/dbraw/zinc/34/31/59/472343159.db2.gz UKJREFKBTJFLIR-UHFFFAOYSA-N -1 1 337.308 2.608 20 30 EFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000120116246 472633015 /nfs/dbraw/zinc/63/30/15/472633015.db2.gz LXYJXNVALLDIEI-AWEZNQCLSA-N -1 1 325.430 2.952 20 30 EFEDMM C=CCCS(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000120116387 472633970 /nfs/dbraw/zinc/63/39/70/472633970.db2.gz LXYJXNVALLDIEI-CQSZACIVSA-N -1 1 325.430 2.952 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1 ZINC000078309027 472694160 /nfs/dbraw/zinc/69/41/60/472694160.db2.gz JLINTJMHFRPFKU-UHFFFAOYSA-N -1 1 327.409 2.959 20 30 EFEDMM Cc1ccnc2nc(C(=O)[N-]c3cc(C(C)(C)C)sc3C#N)nn21 ZINC000091208345 472735911 /nfs/dbraw/zinc/73/59/11/472735911.db2.gz GQVOATQGOBCSRC-UHFFFAOYSA-N -1 1 340.412 2.916 20 30 EFEDMM CCN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000132607205 472743613 /nfs/dbraw/zinc/74/36/13/472743613.db2.gz ZXEBQHKFQCSKFN-LBPRGKRZSA-N -1 1 349.394 2.769 20 30 EFEDMM CCn1c([C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)n[n-]c1=S ZINC000078622385 472744425 /nfs/dbraw/zinc/74/44/25/472744425.db2.gz JSUVWKTXNYQPII-GFCCVEGCSA-N -1 1 333.461 2.751 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(S(C)(=O)=O)c2)n1 ZINC000048789184 472910463 /nfs/dbraw/zinc/91/04/63/472910463.db2.gz JBIZCTHQFXJOLM-LBPRGKRZSA-N -1 1 334.422 2.654 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000158261768 472915522 /nfs/dbraw/zinc/91/55/22/472915522.db2.gz UEGVQAXLDJQZOH-MRXNPFEDSA-N -1 1 344.392 2.527 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000158267515 472916754 /nfs/dbraw/zinc/91/67/54/472916754.db2.gz YMORUKZUOLGDHX-MRXNPFEDSA-N -1 1 344.392 2.527 20 30 EFEDMM CCn1c([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n[n-]c1=S ZINC000065587698 472981229 /nfs/dbraw/zinc/98/12/29/472981229.db2.gz UUNPRLIBAXATOP-CQSZACIVSA-N -1 1 341.440 2.852 20 30 EFEDMM C=C[C@](C)(CC)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000134934336 472994009 /nfs/dbraw/zinc/99/40/09/472994009.db2.gz PQGWFSNUCFNUOL-OAHLLOKOSA-N -1 1 326.418 2.608 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-n3cnnn3)c2)n1 ZINC000080456413 473033407 /nfs/dbraw/zinc/03/34/07/473033407.db2.gz SFDJYOMTRVDCMU-CYBMUJFWSA-N -1 1 338.396 2.732 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3C)n1 ZINC000080456018 473033480 /nfs/dbraw/zinc/03/34/80/473033480.db2.gz SXAJHPKMISUOFR-LLVKDONJSA-N -1 1 340.408 2.937 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OCC(N)=O)c2)n1 ZINC000080451527 473034418 /nfs/dbraw/zinc/03/44/18/473034418.db2.gz RDONMJPNYSJRNC-CYBMUJFWSA-N -1 1 343.408 2.621 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000080547396 473045415 /nfs/dbraw/zinc/04/54/15/473045415.db2.gz CKSHCMYIQJGPIV-NSHDSACASA-N -1 1 338.411 2.739 20 30 EFEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C ZINC000051655676 473060696 /nfs/dbraw/zinc/06/06/96/473060696.db2.gz MTDYPMKQPOADAT-SNVBAGLBSA-N -1 1 329.310 2.963 20 30 EFEDMM COCCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613531455 480027387 /nfs/dbraw/zinc/02/73/87/480027387.db2.gz NMEBLUNZJFYLSK-UHFFFAOYSA-N -1 1 330.315 2.680 20 30 EFEDMM CN(CC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094072614 473173509 /nfs/dbraw/zinc/17/35/09/473173509.db2.gz VCQWQUZUGVDRLZ-UHFFFAOYSA-N -1 1 345.305 2.518 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1[N+](=O)[O-] ZINC000114061440 473436093 /nfs/dbraw/zinc/43/60/93/473436093.db2.gz DPLHFWPQUCVHJK-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190991118 473449425 /nfs/dbraw/zinc/44/94/25/473449425.db2.gz MEWSDYGOOCUVMA-SNVBAGLBSA-N -1 1 332.306 2.739 20 30 EFEDMM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc(-c2ccncc2)cs1 ZINC000114620502 473487318 /nfs/dbraw/zinc/48/73/18/473487318.db2.gz SXSGFEWBNKTYKQ-AWEZNQCLSA-N -1 1 348.387 2.794 20 30 EFEDMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cn1 ZINC000114850096 473514388 /nfs/dbraw/zinc/51/43/88/473514388.db2.gz QFWBVZWNZJWLMQ-UHFFFAOYSA-N -1 1 344.440 2.909 20 30 EFEDMM C#CCOc1cc(F)ccc1NC(=O)Cn1c(CCC)n[n-]c1=S ZINC000152562803 473577108 /nfs/dbraw/zinc/57/71/08/473577108.db2.gz BWVAPSZDVRDZPG-UHFFFAOYSA-N -1 1 348.403 2.683 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000179794057 473727534 /nfs/dbraw/zinc/72/75/34/473727534.db2.gz VMNZEWCNGOILCE-GFCCVEGCSA-N -1 1 330.432 2.845 20 30 EFEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3CC#N)ccc2O1 ZINC000193357521 473784246 /nfs/dbraw/zinc/78/42/46/473784246.db2.gz BHFJMFBIJWJABO-GFCCVEGCSA-N -1 1 328.393 2.877 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000187035009 473806137 /nfs/dbraw/zinc/80/61/37/473806137.db2.gz KAOYXBNOWPNKMR-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)c1 ZINC000187227437 473841853 /nfs/dbraw/zinc/84/18/53/473841853.db2.gz CUAQCOORWKBXAA-UHFFFAOYSA-N -1 1 330.365 2.647 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1Cl ZINC000194191718 473858452 /nfs/dbraw/zinc/85/84/52/473858452.db2.gz BQESAQXIUPOGMW-UHFFFAOYSA-N -1 1 344.783 2.956 20 30 EFEDMM C=CCCCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000274523379 473862165 /nfs/dbraw/zinc/86/21/65/473862165.db2.gz BRLIWOYNJCMORW-UHFFFAOYSA-N -1 1 340.427 2.958 20 30 EFEDMM COc1ccc(-c2n[n-]c(S(=O)(=O)CCCC(C)(C)C#N)n2)cc1 ZINC000195120003 474008747 /nfs/dbraw/zinc/00/87/47/474008747.db2.gz XTSHTSNDMRUREV-UHFFFAOYSA-N -1 1 348.428 2.584 20 30 EFEDMM COc1ccc(-c2nc(S(=O)(=O)CCCC(C)(C)C#N)n[n-]2)cc1 ZINC000195120003 474008753 /nfs/dbraw/zinc/00/87/53/474008753.db2.gz XTSHTSNDMRUREV-UHFFFAOYSA-N -1 1 348.428 2.584 20 30 EFEDMM C=C1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000264504192 474016075 /nfs/dbraw/zinc/01/60/75/474016075.db2.gz QNSMWTZVFKVYDR-UHFFFAOYSA-N -1 1 343.164 2.789 20 30 EFEDMM Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)c([O-])c2)c(Cl)c1 ZINC000188391948 474080667 /nfs/dbraw/zinc/08/06/67/474080667.db2.gz NNKVMFUVMIHTCF-UHFFFAOYSA-N -1 1 343.770 2.594 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1noc(Cc2ccccc2)n1 ZINC000188624208 474145360 /nfs/dbraw/zinc/14/53/60/474145360.db2.gz FLZVWVMXNOVHNV-GFCCVEGCSA-N -1 1 348.362 2.729 20 30 EFEDMM COC(=O)[C@H](C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188636674 474149013 /nfs/dbraw/zinc/14/90/13/474149013.db2.gz BNIBRFBLTWKWJT-PXAZEXFGSA-N -1 1 338.363 2.544 20 30 EFEDMM N#Cc1ccccc1N1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000175197233 474159349 /nfs/dbraw/zinc/15/93/49/474159349.db2.gz GUWHQLBLZZXBHB-UHFFFAOYSA-N -1 1 339.370 2.755 20 30 EFEDMM C=CC[C@H](C)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000265323254 474174093 /nfs/dbraw/zinc/17/40/93/474174093.db2.gz JFROXAWQMNSCJD-LBPRGKRZSA-N -1 1 326.400 2.566 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1[O-] ZINC000188764452 474189157 /nfs/dbraw/zinc/18/91/57/474189157.db2.gz AVWDBOZNDOKKBU-NVXWUHKLSA-N -1 1 344.317 2.802 20 30 EFEDMM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188789244 474197270 /nfs/dbraw/zinc/19/72/70/474197270.db2.gz JOPGNLMEQIZPAC-NSHDSACASA-N -1 1 326.327 2.794 20 30 EFEDMM COc1cc(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)ccc1O ZINC000188799872 474199105 /nfs/dbraw/zinc/19/91/05/474199105.db2.gz PMUSSCGMYVFJCJ-UHFFFAOYSA-N -1 1 338.363 2.783 20 30 EFEDMM CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188979770 474251809 /nfs/dbraw/zinc/25/18/09/474251809.db2.gz GWXJCUOETXTNTK-LBPRGKRZSA-N -1 1 332.400 2.846 20 30 EFEDMM COc1ccccc1OC[C@H](C)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189070769 474281059 /nfs/dbraw/zinc/28/10/59/474281059.db2.gz NQZYVZNAPNTCGC-CYBMUJFWSA-N -1 1 340.379 2.717 20 30 EFEDMM Cc1cccc(N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1C ZINC000189794651 474484616 /nfs/dbraw/zinc/48/46/16/474484616.db2.gz KEWLYXPJEWWZIJ-UHFFFAOYSA-N -1 1 335.407 2.843 20 30 EFEDMM C=CCN(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C1CC1 ZINC000271358907 474509437 /nfs/dbraw/zinc/50/94/37/474509437.db2.gz FWYKNOZLJAXVSM-UHFFFAOYSA-N -1 1 338.411 2.662 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cccc(Br)c2)cc1[O-] ZINC000190124504 474550455 /nfs/dbraw/zinc/55/04/55/474550455.db2.gz BJVBAJFBUXQHDO-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000190188029 474561895 /nfs/dbraw/zinc/56/18/95/474561895.db2.gz HAMDHMVALFQODT-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM C#CCO[N-]C(=O)C[C@]1(CC)OCCc2c3cccc(CC)c3[nH]c21 ZINC000291298027 474599963 /nfs/dbraw/zinc/59/99/63/474599963.db2.gz QHOWIHCDOOHFHL-FQEVSTJZSA-N -1 1 340.423 2.979 20 30 EFEDMM Cc1ccc(NC(=O)[C@H](C)C#N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000344645318 474773291 /nfs/dbraw/zinc/77/32/91/474773291.db2.gz OWTDNWMFLWFALT-CYBMUJFWSA-N -1 1 343.408 2.894 20 30 EFEDMM C[C@H](C#N)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000344680485 474779220 /nfs/dbraw/zinc/77/92/20/474779220.db2.gz BNAGVQWRDZFVBD-LLVKDONJSA-N -1 1 347.371 2.725 20 30 EFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)c1 ZINC000344703998 474782082 /nfs/dbraw/zinc/78/20/82/474782082.db2.gz NFMVRFXUFZCBKU-UHFFFAOYSA-N -1 1 333.413 2.513 20 30 EFEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)o2)n[nH]1 ZINC000340945370 474803818 /nfs/dbraw/zinc/80/38/18/474803818.db2.gz XXEQFYUWRPNNRF-UHFFFAOYSA-N -1 1 328.353 2.651 20 30 EFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344960571 474819777 /nfs/dbraw/zinc/81/97/77/474819777.db2.gz DRAYKDKQDYONOG-UHFFFAOYSA-N -1 1 345.808 2.856 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)o1 ZINC000339028706 474852579 /nfs/dbraw/zinc/85/25/79/474852579.db2.gz GBLKWLWNJRGRTE-UHFFFAOYSA-N -1 1 332.406 2.887 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000317286803 474887707 /nfs/dbraw/zinc/88/77/07/474887707.db2.gz QKUNMCWFHDMBPT-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM Cc1ccc(CNC(=O)[C@@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000329648525 475104680 /nfs/dbraw/zinc/10/46/80/475104680.db2.gz JYUHRVDZHKJRTA-CYBMUJFWSA-N -1 1 343.431 2.543 20 30 EFEDMM C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292672892 475143047 /nfs/dbraw/zinc/14/30/47/475143047.db2.gz PBMFXEKHWVHSBK-IJLUTSLNSA-N -1 1 335.370 2.582 20 30 EFEDMM C=CC[C@H](CC)NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292672887 475143293 /nfs/dbraw/zinc/14/32/93/475143293.db2.gz PBMFXEKHWVHSBK-GRYCIOLGSA-N -1 1 335.370 2.582 20 30 EFEDMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000345413055 475173901 /nfs/dbraw/zinc/17/39/01/475173901.db2.gz PTVWBVATROUMJF-ZDUSSCGKSA-N -1 1 339.370 2.754 20 30 EFEDMM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000352626199 475469830 /nfs/dbraw/zinc/46/98/30/475469830.db2.gz LVXPSQNLLFMWAP-UHFFFAOYSA-N -1 1 335.367 2.723 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000345820529 475481883 /nfs/dbraw/zinc/48/18/83/475481883.db2.gz UEKZFVADXOTDED-LBPRGKRZSA-N -1 1 329.381 2.586 20 30 EFEDMM Cc1nc(S[C@@H]2CCN(c3sccc3C#N)C2=O)[n-]c(=O)c1C ZINC000332080700 475502965 /nfs/dbraw/zinc/50/29/65/475502965.db2.gz KDWITVTUZDMKBB-LLVKDONJSA-N -1 1 346.437 2.630 20 30 EFEDMM N#Cc1ccccc1N1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000348257599 475531706 /nfs/dbraw/zinc/53/17/06/475531706.db2.gz ZLRLYZHVIKXYHW-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000342367774 475590220 /nfs/dbraw/zinc/59/02/20/475590220.db2.gz KPSWMPHPYBMAEF-UHFFFAOYSA-N -1 1 326.352 2.568 20 30 EFEDMM COc1cc(C(=O)NCC#Cc2cccc(F)c2)cc(Cl)c1[O-] ZINC000338241271 475704035 /nfs/dbraw/zinc/70/40/35/475704035.db2.gz NKOXZWABOXFJCZ-UHFFFAOYSA-N -1 1 333.746 2.975 20 30 EFEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000355281892 475797129 /nfs/dbraw/zinc/79/71/29/475797129.db2.gz HQOJAGWNAHXYDD-UHFFFAOYSA-N -1 1 348.281 2.606 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2c2ccc(F)cc2)cc1[O-] ZINC000343353622 475977849 /nfs/dbraw/zinc/97/78/49/475977849.db2.gz ZSTUNKFQCFHACJ-MAUKXSAKSA-N -1 1 340.354 2.911 20 30 EFEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355841043 476065174 /nfs/dbraw/zinc/06/51/74/476065174.db2.gz ILUCHHXTDREVAM-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc21 ZINC000355849354 476067054 /nfs/dbraw/zinc/06/70/54/476067054.db2.gz YAFWUVPOGZSXJM-UHFFFAOYSA-N -1 1 340.408 2.923 20 30 EFEDMM C=CCC(CC=C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000343971374 476141866 /nfs/dbraw/zinc/14/18/66/476141866.db2.gz MPILPYVMUDSKPY-UHFFFAOYSA-N -1 1 338.429 2.774 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)o1 ZINC000344307304 476234835 /nfs/dbraw/zinc/23/48/35/476234835.db2.gz MMTOMGQBXXASBQ-UHFFFAOYSA-N -1 1 332.406 2.887 20 30 EFEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000353942155 476331930 /nfs/dbraw/zinc/33/19/30/476331930.db2.gz QWNYQYLDOSDRCH-UHFFFAOYSA-N -1 1 326.381 2.852 20 30 EFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357450787 476392465 /nfs/dbraw/zinc/39/24/65/476392465.db2.gz IWTQPPUOORWIMY-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000357456638 476395729 /nfs/dbraw/zinc/39/57/29/476395729.db2.gz SURYZTILUXSIJT-UHFFFAOYSA-N -1 1 347.371 2.847 20 30 EFEDMM CCNc1ccc(C#N)cc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000354076976 476409101 /nfs/dbraw/zinc/40/91/01/476409101.db2.gz BAWJIECOIOETBX-UHFFFAOYSA-N -1 1 327.413 2.695 20 30 EFEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000352206717 476551794 /nfs/dbraw/zinc/55/17/94/476551794.db2.gz ZHCVAOJVRMVBHY-UHFFFAOYSA-N -1 1 336.395 2.892 20 30 EFEDMM N#Cc1cccc(F)c1CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000352220201 476562414 /nfs/dbraw/zinc/56/24/14/476562414.db2.gz VLJWHBICHDBNSP-UHFFFAOYSA-N -1 1 326.356 2.752 20 30 EFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(CC#N)c1 ZINC000456720962 476709881 /nfs/dbraw/zinc/70/98/81/476709881.db2.gz BEOIUIISRQADQF-UHFFFAOYSA-N -1 1 349.394 2.689 20 30 EFEDMM CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000452029108 476781447 /nfs/dbraw/zinc/78/14/47/476781447.db2.gz CQOCKFBMJLIYOM-UHFFFAOYSA-N -1 1 330.409 2.940 20 30 EFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000452031926 476782380 /nfs/dbraw/zinc/78/23/80/476782380.db2.gz UZUPNFBTHMACNO-VIFPVBQESA-N -1 1 342.219 2.738 20 30 EFEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000431184478 476991982 /nfs/dbraw/zinc/99/19/82/476991982.db2.gz SYVWHWNUKVJPGS-UHFFFAOYSA-N -1 1 334.328 2.505 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)cc1[O-] ZINC000447729920 477045372 /nfs/dbraw/zinc/04/53/72/477045372.db2.gz 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2.916 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000614295504 480258097 /nfs/dbraw/zinc/25/80/97/480258097.db2.gz UJXBGEAPHRCSJC-UHFFFAOYSA-N -1 1 336.391 2.742 20 30 EFEDMM Cc1ccc(NC(=O)CNC(=O)c2cc([O-])cc(C#N)c2)c(Cl)c1 ZINC000614298075 480258342 /nfs/dbraw/zinc/25/83/42/480258342.db2.gz LFJYRWRVRTVKCT-UHFFFAOYSA-N -1 1 343.770 2.594 20 30 EFEDMM CC[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1cccc(F)c1 ZINC000614300385 480259093 /nfs/dbraw/zinc/25/90/93/480259093.db2.gz GLBMPOQIJUAJQI-INIZCTEOSA-N -1 1 328.343 2.990 20 30 EFEDMM COC(=O)[C@H](C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614300829 480259649 /nfs/dbraw/zinc/25/96/49/480259649.db2.gz WKFBRGOADZNOMY-PXAZEXFGSA-N -1 1 338.363 2.544 20 30 EFEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000614367345 480284502 /nfs/dbraw/zinc/28/45/02/480284502.db2.gz GFMXBXAINGGRDF-SFHVURJKSA-N -1 1 349.390 2.531 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000614370622 480286540 /nfs/dbraw/zinc/28/65/40/480286540.db2.gz ZJUYGFGJPVPBQW-CYBMUJFWSA-N -1 1 332.363 2.941 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000614370494 480286555 /nfs/dbraw/zinc/28/65/55/480286555.db2.gz APAHHIUOCRYBPE-MRXNPFEDSA-N -1 1 336.391 2.943 20 30 EFEDMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614373857 480287282 /nfs/dbraw/zinc/28/72/82/480287282.db2.gz OPNVAWVOKARUST-UHFFFAOYSA-N -1 1 340.408 2.862 20 30 EFEDMM C=CC[C@H]1CCCN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000617787011 480361905 /nfs/dbraw/zinc/36/19/05/480361905.db2.gz FULFCUZWWBOADJ-ZDUSSCGKSA-N -1 1 335.473 2.960 20 30 EFEDMM Cc1[nH]c(C#N)cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000648490646 481577593 /nfs/dbraw/zinc/57/75/93/481577593.db2.gz VAISNKLPBXDQSF-UHFFFAOYSA-N -1 1 337.379 2.636 20 30 EFEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(C2CC2)cs1 ZINC000647372283 481787827 /nfs/dbraw/zinc/78/78/27/481787827.db2.gz JEFTYAGRLPMCDW-LLVKDONJSA-N -1 1 339.376 2.841 20 30 EFEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435447313 534397453 /nfs/dbraw/zinc/39/74/53/534397453.db2.gz ORVYDZMPHXBQQQ-QMMMGPOBSA-N -1 1 342.219 2.595 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000362585368 534502146 /nfs/dbraw/zinc/50/21/46/534502146.db2.gz BJGCIVVYLFYIMN-GFCCVEGCSA-N -1 1 348.399 2.931 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C#N ZINC000137448744 524805478 /nfs/dbraw/zinc/80/54/78/524805478.db2.gz AZLOIENJXXJRKI-UHFFFAOYSA-N -1 1 330.365 2.674 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000076937724 526195551 /nfs/dbraw/zinc/19/55/51/526195551.db2.gz JLDFGDUJFUCRMD-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cccc2cn[nH]c21 ZINC000048568590 527192364 /nfs/dbraw/zinc/19/23/64/527192364.db2.gz RQBJUFURCGKNDG-UHFFFAOYSA-N -1 1 333.344 2.537 20 30 EFEDMM CCCCCCCS(=O)(=O)[N-]c1ccc(N2CCCC2=O)cn1 ZINC000194798456 534989372 /nfs/dbraw/zinc/98/93/72/534989372.db2.gz HDMSLJMGUKJEJS-UHFFFAOYSA-N -1 1 339.461 2.921 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(C(F)(F)F)nn1 ZINC000754709888 575475341 /nfs/dbraw/zinc/47/53/41/575475341.db2.gz TXSLCQLQQBFNFP-UHFFFAOYSA-N -1 1 327.222 2.555 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(CN=Nc2ccc(C(F)(F)F)nn2)c1 ZINC000754710682 575475370 /nfs/dbraw/zinc/47/53/70/575475370.db2.gz MWDNMFJVZDFUNV-UHFFFAOYSA-N -1 1 327.222 2.555 20 30 EFEDMM CCn1c(=O)c2ccccc2nc1NN=Cc1cccc(F)c1[O-] ZINC000755604678 575607152 /nfs/dbraw/zinc/60/71/52/575607152.db2.gz PBMLGFAVGVQNLH-UHFFFAOYSA-N -1 1 326.331 2.707 20 30 EFEDMM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2cccc(F)c2[O-])C1=O ZINC000755608788 575607965 /nfs/dbraw/zinc/60/79/65/575607965.db2.gz OQNRVRCZRUMRPL-GOSISDBHSA-N -1 1 341.342 2.723 20 30 EFEDMM Cn1c(NN=Cc2cc(C(=O)[O-])cs2)nnc1-c1ccccc1 ZINC000755648470 575613343 /nfs/dbraw/zinc/61/33/43/575613343.db2.gz OQAQSBFSMSRGBD-UHFFFAOYSA-N -1 1 327.369 2.688 20 30 EFEDMM O=S(=O)(c1ccc(NN=Cc2cccc(F)c2[O-])cc1)C(F)F ZINC000755682587 575618532 /nfs/dbraw/zinc/61/85/32/575618532.db2.gz JAHNMFWLPMZNAY-UHFFFAOYSA-N -1 1 344.314 2.974 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc2c(c1)OCO2 ZINC000756901078 575798826 /nfs/dbraw/zinc/79/88/26/575798826.db2.gz IVHWPVRJLCMVLP-UHFFFAOYSA-N -1 1 328.324 2.958 20 30 EFEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)c1 ZINC000757467034 575839810 /nfs/dbraw/zinc/83/98/10/575839810.db2.gz BERFXQRWCNUAOW-WEVVVXLNSA-N -1 1 332.377 2.700 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000757468698 575839824 /nfs/dbraw/zinc/83/98/24/575839824.db2.gz VOPBPBPBUMROBY-HWKANZROSA-N -1 1 345.307 2.919 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2O)cc([N+](=O)[O-])c1[O-] ZINC000757467965 575839877 /nfs/dbraw/zinc/83/98/77/575839877.db2.gz PLMXERQURFISPV-DUXPYHPUSA-N -1 1 331.280 2.616 20 30 EFEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(S(C)(=O)=O)cc2)c1 ZINC000757467031 575839964 /nfs/dbraw/zinc/83/99/64/575839964.db2.gz BERFXQRWCNUAOW-UITAMQMPSA-N -1 1 332.377 2.700 20 30 EFEDMM COC(=O)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757473111 575840140 /nfs/dbraw/zinc/84/01/40/575840140.db2.gz MWKLILOHOHRQMQ-XBXARRHUSA-N -1 1 326.304 2.773 20 30 EFEDMM Cc1nn(C)c2ncc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3O)cc12 ZINC000757471861 575840240 /nfs/dbraw/zinc/84/02/40/575840240.db2.gz FTAFBOYYSZNBKR-HWKANZROSA-N -1 1 337.335 2.577 20 30 EFEDMM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(O)cc2O)c1)C(=O)[O-] ZINC000757473413 575840301 /nfs/dbraw/zinc/84/03/01/575840301.db2.gz XCZLCYVFLQDWJS-OFSNVTPPSA-N -1 1 328.320 2.846 20 30 EFEDMM COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCC(=O)[O-] ZINC000757476101 575840356 /nfs/dbraw/zinc/84/03/56/575840356.db2.gz VHLCBVCSUIEBCS-SOFGYWHQSA-N -1 1 328.320 2.760 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2nccn2CC(F)(F)F)c1 ZINC000757474259 575840393 /nfs/dbraw/zinc/84/03/93/575840393.db2.gz RAWXAFMVNOJDIK-ONEGZZNKSA-N -1 1 340.257 2.745 20 30 EFEDMM C=C[C@H](CC(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccccc1 ZINC000758918808 575880114 /nfs/dbraw/zinc/88/01/14/575880114.db2.gz BZHRADXVBFYUPL-OAHLLOKOSA-N -1 1 337.375 2.846 20 30 EFEDMM COc1cc2c(cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O)OCO2 ZINC000758930400 575880524 /nfs/dbraw/zinc/88/05/24/575880524.db2.gz IHGNPYSETIULII-DUXPYHPUSA-N -1 1 342.303 2.724 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)nc2Cl)c(=O)o1 ZINC000761475155 576167780 /nfs/dbraw/zinc/16/77/80/576167780.db2.gz MVHDFGYVQXVVEN-FXMSTWTQSA-N -1 1 326.135 2.617 20 30 EFEDMM O=C([O-])c1ccc(NN=Cc2cnc(-c3ccccn3)s2)nc1 ZINC000763368902 576374493 /nfs/dbraw/zinc/37/44/93/576374493.db2.gz PXHCRFUOTCNSCI-UHFFFAOYSA-N -1 1 325.353 2.744 20 30 EFEDMM C#C[C@@H](CCC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764807510 576505978 /nfs/dbraw/zinc/50/59/78/576505978.db2.gz NQMNYRAYLOTBEH-NSHDSACASA-N -1 1 325.206 2.756 20 30 EFEDMM CSc1nc(C)c(CCC(=O)Oc2ccc(C#N)c(C)c2)c(=O)[n-]1 ZINC000765090982 577006011 /nfs/dbraw/zinc/00/60/11/577006011.db2.gz AAVYSVFCLIYLDZ-UHFFFAOYSA-N -1 1 343.408 2.931 20 30 EFEDMM C[C@@H]1CC(=NC(=O)c2[n-]nc(-c3ccccc3)c2Br)NO1 ZINC000765384773 577037444 /nfs/dbraw/zinc/03/74/44/577037444.db2.gz QRASORSKDKNAJH-MRVPVSSYSA-N -1 1 349.188 2.691 20 30 EFEDMM CCO[C@@H]1CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000766451175 577151940 /nfs/dbraw/zinc/15/19/40/577151940.db2.gz NZJIUXQKIXHWBY-GFCCVEGCSA-N -1 1 332.408 2.644 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=CCCCc1cccc(C(F)(F)F)c1 ZINC000766475178 577155795 /nfs/dbraw/zinc/15/57/95/577155795.db2.gz RHZNEBLNUDKFTD-UHFFFAOYSA-N -1 1 342.346 2.803 20 30 EFEDMM C[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000767379925 577206842 /nfs/dbraw/zinc/20/68/42/577206842.db2.gz NBIVNCDILRRLPZ-VXGBXAGGSA-N -1 1 339.417 2.826 20 30 EFEDMM C[C@H]1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000767386056 577207009 /nfs/dbraw/zinc/20/70/09/577207009.db2.gz QZRSZNCNJYIKCE-QWRGUYRKSA-N -1 1 325.390 2.685 20 30 EFEDMM C[C@@H]1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000767386054 577207034 /nfs/dbraw/zinc/20/70/34/577207034.db2.gz QZRSZNCNJYIKCE-MNOVXSKESA-N -1 1 325.390 2.685 20 30 EFEDMM CC#CCCCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000768112617 577255248 /nfs/dbraw/zinc/25/52/48/577255248.db2.gz BPRXYVBBBKUZLT-UHFFFAOYSA-N -1 1 341.429 2.707 20 30 EFEDMM N#Cc1cccc([C@H]2CN(C(=O)c3ccc([O-])c(F)c3)CCO2)c1 ZINC000768359710 577268348 /nfs/dbraw/zinc/26/83/48/577268348.db2.gz KCVMEVKAIYDTDC-QGZVFWFLSA-N -1 1 326.327 2.617 20 30 EFEDMM CC(CCc1ccccc1F)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769808058 577386966 /nfs/dbraw/zinc/38/69/66/577386966.db2.gz ABWWHKYIHMZXTE-UHFFFAOYSA-N -1 1 328.351 2.629 20 30 EFEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCOCC1 ZINC000769809753 577387119 /nfs/dbraw/zinc/38/71/19/577387119.db2.gz HMFBINGUKLPYKL-UHFFFAOYSA-N -1 1 346.435 2.891 20 30 EFEDMM N#Cc1ccc(CNN=Cc2cc(O)c([O-])c(Br)c2)cc1 ZINC000769816577 577387362 /nfs/dbraw/zinc/38/73/62/577387362.db2.gz VRAFDJAUDPKILR-UHFFFAOYSA-N -1 1 346.184 2.856 20 30 EFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc2cc(O)ccc2c1 ZINC000769816204 577387430 /nfs/dbraw/zinc/38/74/30/577387430.db2.gz CXPWLWXXPCOSBM-UHFFFAOYSA-N -1 1 348.366 2.764 20 30 EFEDMM Cc1cccc(CC(=NNc2nc(=O)c3cnn(C)c3[n-]2)C2CC2)c1 ZINC000769819407 577387789 /nfs/dbraw/zinc/38/77/89/577387789.db2.gz QODOFPLDUDAHCL-UHFFFAOYSA-N -1 1 336.399 2.798 20 30 EFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000770391539 577414923 /nfs/dbraw/zinc/41/49/23/577414923.db2.gz VCOKGQGMUQWAPU-JTQLQIEISA-N -1 1 334.210 2.668 20 30 EFEDMM C#CCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000771184045 581184986 /nfs/dbraw/zinc/18/49/86/581184986.db2.gz XEYSETVKFKWHHF-UHFFFAOYSA-N -1 1 342.667 2.856 20 30 EFEDMM COc1c([O-])c(C=NNc2cnnc3ccccc32)ccc1[N+](=O)[O-] ZINC000773054976 581391412 /nfs/dbraw/zinc/39/14/12/581391412.db2.gz TWADPDNVANKEJI-UHFFFAOYSA-N -1 1 339.311 2.698 20 30 EFEDMM COc1c([O-])c(C=NNCCCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000773053090 581391425 /nfs/dbraw/zinc/39/14/25/581391425.db2.gz BJOOVXBSEIJRGQ-UHFFFAOYSA-N -1 1 345.355 2.702 20 30 EFEDMM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(F)c1 ZINC000773974650 581476154 /nfs/dbraw/zinc/47/61/54/581476154.db2.gz IPQAPJXCTVFQRJ-AWEZNQCLSA-N -1 1 340.310 2.573 20 30 EFEDMM O=c1nc(C=N[O-])ccn1Cc1nc(-c2ccccc2Cl)cs1 ZINC000774761613 581500208 /nfs/dbraw/zinc/50/02/08/581500208.db2.gz KEDBVOFZFCMQKO-UHFFFAOYSA-N -1 1 346.799 2.877 20 30 EFEDMM C=CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735409725 599284717 /nfs/dbraw/zinc/28/47/17/599284717.db2.gz JLVIFZXVFDAFMS-UHFFFAOYSA-N -1 1 327.323 2.695 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC#Cc2ccc(F)cc2)n1 ZINC000822427788 607326983 /nfs/dbraw/zinc/32/69/83/607326983.db2.gz VAWJRNKUVUKVQR-UHFFFAOYSA-N -1 1 340.387 2.556 20 30 EFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000819857432 598227289 /nfs/dbraw/zinc/22/72/89/598227289.db2.gz XIOBCBKGTBQVLB-SFHVURJKSA-N -1 1 349.350 2.568 20 30 EFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000739106153 600573368 /nfs/dbraw/zinc/57/33/68/600573368.db2.gz PZVMSXMVJKXHAP-UONOGXRCSA-N -1 1 342.317 2.727 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(-c3nn[nH]n3)cc1F)O2 ZINC000822210620 607458393 /nfs/dbraw/zinc/45/83/93/607458393.db2.gz KWMKFCPZXHOVIR-NSIKDUERSA-N -1 1 338.298 2.636 20 30 EFEDMM CCCOc1ncccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737035937 600595636 /nfs/dbraw/zinc/59/56/36/600595636.db2.gz WXYGRQJFQSTTFJ-MRXNPFEDSA-N -1 1 325.368 2.658 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(-c3nn[nH]n3)cc1F)O2 ZINC000822210619 607458133 /nfs/dbraw/zinc/45/81/33/607458133.db2.gz KWMKFCPZXHOVIR-MKMNVTDBSA-N -1 1 338.298 2.636 20 30 EFEDMM CCN(CCC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000829701532 601113794 /nfs/dbraw/zinc/11/37/94/601113794.db2.gz BZPLAXZRMBDJPQ-UHFFFAOYSA-N -1 1 327.384 2.534 20 30 EFEDMM CC(C)N(CCC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000826946640 601114830 /nfs/dbraw/zinc/11/48/30/601114830.db2.gz HQJHZHDHRYNPSG-UHFFFAOYSA-N -1 1 341.411 2.923 20 30 EFEDMM N#C[C@@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833064929 601139718 /nfs/dbraw/zinc/13/97/18/601139718.db2.gz PABWNTSUBOPMGD-OALUTQOASA-N -1 1 335.407 2.695 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)[nH]c21 ZINC000832975571 601240071 /nfs/dbraw/zinc/24/00/71/601240071.db2.gz DGRMMNZLSOCXBN-JHJVBQTASA-N -1 1 325.368 2.939 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)[nH]c21 ZINC000832975575 601240267 /nfs/dbraw/zinc/24/02/67/601240267.db2.gz DGRMMNZLSOCXBN-YNEHKIRRSA-N -1 1 325.368 2.939 20 30 EFEDMM N#Cc1cccc([C@H](NCc2cnn(-c3ccccc3)c2)C(=O)[O-])c1 ZINC000833076108 601299897 /nfs/dbraw/zinc/29/98/97/601299897.db2.gz PYPDKMAPUOCUQC-SFHVURJKSA-N -1 1 332.363 2.659 20 30 EFEDMM CC(C)Oc1ncccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827065789 601300325 /nfs/dbraw/zinc/30/03/25/601300325.db2.gz CLEXSVYHYDWNKT-INIZCTEOSA-N -1 1 325.368 2.656 20 30 EFEDMM CCCOc1ncccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829541651 601302942 /nfs/dbraw/zinc/30/29/42/601302942.db2.gz SCPQLCZHCKGASZ-INIZCTEOSA-N -1 1 325.368 2.658 20 30 EFEDMM Cc1ccccc1CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832979755 601309289 /nfs/dbraw/zinc/30/92/89/601309289.db2.gz QFHIFHKCRYSJJI-FQEVSTJZSA-N -1 1 349.434 2.810 20 30 EFEDMM Cc1cccc(CN2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832967120 601309532 /nfs/dbraw/zinc/30/95/32/601309532.db2.gz NLTXMUHZOPYRSF-HXUWFJFHSA-N -1 1 349.434 2.810 20 30 EFEDMM C[C@@H]1CN(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C[C@@H]1C(=O)[O-] ZINC000828432588 601506391 /nfs/dbraw/zinc/50/63/91/601506391.db2.gz NYYIETWGJXJGBJ-NFYGVMTISA-N -1 1 342.439 2.520 20 30 EFEDMM C[C@@H]1CN(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C[C@H]1C(=O)[O-] ZINC000828432582 601506619 /nfs/dbraw/zinc/50/66/19/601506619.db2.gz NYYIETWGJXJGBJ-HYSYGUJYSA-N -1 1 342.439 2.520 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000830894540 601945135 /nfs/dbraw/zinc/94/51/35/601945135.db2.gz MIXSONGXIHFTGY-FVECTHPASA-N -1 1 342.439 2.664 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000830894541 601945176 /nfs/dbraw/zinc/94/51/76/601945176.db2.gz MIXSONGXIHFTGY-KDMTZKAISA-N -1 1 342.439 2.664 20 30 EFEDMM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1)C(=O)[O-] ZINC000794701147 602112239 /nfs/dbraw/zinc/11/22/39/602112239.db2.gz LDMCVRQCFWKXNI-KSHIFHCESA-N -1 1 328.320 2.846 20 30 EFEDMM Cc1cc[nH]c2nc([C@H](C#N)C(=O)c3ccc(NC(=O)[O-])cc3)nc1-2 ZINC000830611904 604190820 /nfs/dbraw/zinc/19/08/20/604190820.db2.gz PPWOKVHFHMTAIH-GFCCVEGCSA-N -1 1 335.323 2.846 20 30 EFEDMM CC(C)(C(=O)NOCc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC000833411801 604548534 /nfs/dbraw/zinc/54/85/34/604548534.db2.gz POSCCXMAODYKOR-UHFFFAOYSA-N -1 1 338.363 2.782 20 30 EFEDMM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1[C@H](C)CC[C@@H]1C ZINC000833604216 604583103 /nfs/dbraw/zinc/58/31/03/604583103.db2.gz RFRRMKQTVXHQCM-XQQFMLRXSA-N -1 1 330.384 2.561 20 30 EFEDMM C=CCOc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)cc1Cl ZINC000833377550 604759475 /nfs/dbraw/zinc/75/94/75/604759475.db2.gz BEBNEVGBDPYMBQ-INIZCTEOSA-N -1 1 339.819 2.562 20 30 EFEDMM CC(N=Nc1cc(Cl)ccc1Cl)c1cn(CC(=O)[O-])nn1 ZINC000825804399 604786573 /nfs/dbraw/zinc/78/65/73/604786573.db2.gz IKWSPYSQNYLUGK-UHFFFAOYSA-N -1 1 328.159 2.506 20 30 EFEDMM N#CCCN(C(=O)CN1CCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833760153 604970449 /nfs/dbraw/zinc/97/04/49/604970449.db2.gz HOSAWMSWZFFTGF-CQSZACIVSA-N -1 1 349.818 2.526 20 30 EFEDMM C[C@@H]1CC(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)=NO1 ZINC000833600547 605088042 /nfs/dbraw/zinc/08/80/42/605088042.db2.gz LSEVSEDKAYIUOF-ZCFIWIBFSA-N -1 1 331.250 2.647 20 30 EFEDMM C[C@@H](Oc1ccc(CNCc2cc(C#N)ccc2F)cc1)C(=O)[O-] ZINC000833538244 605114774 /nfs/dbraw/zinc/11/47/74/605114774.db2.gz CABGVMYDSQKCRO-GFCCVEGCSA-N -1 1 328.343 2.839 20 30 EFEDMM C#CC[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000833361033 605134078 /nfs/dbraw/zinc/13/40/78/605134078.db2.gz VOCZVOQHXSVDIE-KRWDZBQOSA-N -1 1 336.391 2.702 20 30 EFEDMM C=CCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833380508 605336633 /nfs/dbraw/zinc/33/66/33/605336633.db2.gz IDXPFYCBYPSGNC-SNVBAGLBSA-N -1 1 343.767 2.880 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819745928 606494650 /nfs/dbraw/zinc/49/46/50/606494650.db2.gz VGUZPYVKNYBDHB-UHFFFAOYSA-N -1 1 331.426 2.818 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819745928 606494651 /nfs/dbraw/zinc/49/46/51/606494651.db2.gz VGUZPYVKNYBDHB-UHFFFAOYSA-N -1 1 331.426 2.818 20 30 EFEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819745494 606505904 /nfs/dbraw/zinc/50/59/04/606505904.db2.gz GIFFWXBBJYCJHH-UHFFFAOYSA-N -1 1 325.397 2.757 20 30 EFEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819745494 606505906 /nfs/dbraw/zinc/50/59/06/606505906.db2.gz GIFFWXBBJYCJHH-UHFFFAOYSA-N -1 1 325.397 2.757 20 30 EFEDMM COc1ccc([O-])c(C(=O)C=Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000821839542 606857321 /nfs/dbraw/zinc/85/73/21/606857321.db2.gz WDUNYASBTPNRQJ-UTCJRWHESA-N -1 1 328.353 2.539 20 30 EFEDMM Cc1cc(C)n(N=C[C@@H]2CCCC(C)(C)C2)c(=O)c1-c1nn[n-]n1 ZINC000826265171 607782518 /nfs/dbraw/zinc/78/25/18/607782518.db2.gz OKZTUPGQIASRLL-CYBMUJFWSA-N -1 1 328.420 2.696 20 30 EFEDMM C#CCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)c([O-])c(F)c3)CC2)C1=O ZINC001272782791 1258014491 /nfs/dbraw/zinc/01/44/91/1258014491.db2.gz NPMDXMHOOSUTCK-IBGZPJMESA-N -1 1 348.393 2.508 20 30 EFEDMM C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001079052713 1262233781 /nfs/dbraw/zinc/23/37/81/1262233781.db2.gz RNYUAYKZDKEYML-OAHLLOKOSA-N -1 1 345.443 2.597 20 30 EFEDMM O=C([O-])CCOc1cccc(CN=Nc2cnnc3ccccc23)c1 ZINC000733749911 1265401561 /nfs/dbraw/zinc/40/15/61/1265401561.db2.gz FLTPYCAAPZNMNT-UHFFFAOYSA-N -1 1 336.351 2.929 20 30 EFEDMM C=C(C)COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OC ZINC000747043294 1278328188 /nfs/dbraw/zinc/32/81/88/1278328188.db2.gz JIMFOQQMRUCHHC-UHFFFAOYSA-N -1 1 328.372 2.900 20 30 EFEDMM Cc1cccc2nc(C(C#N)=C([O-])[C@@H]3Cc4ccccc4C(=O)O3)[nH]c21 ZINC000735790401 1267424919 /nfs/dbraw/zinc/42/49/19/1267424919.db2.gz XGBPIYSZEFDGMU-ZBFHGGJFSA-N -1 1 345.358 2.829 20 30 EFEDMM Cc1cccc2nc(C(C#N)=C([O-])[C@H]3Cc4ccccc4C(=O)O3)[nH]c21 ZINC000735790399 1267425195 /nfs/dbraw/zinc/42/51/95/1267425195.db2.gz XGBPIYSZEFDGMU-GOEBONIOSA-N -1 1 345.358 2.829 20 30 EFEDMM CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ccccc1O ZINC001085488664 1267629743 /nfs/dbraw/zinc/62/97/43/1267629743.db2.gz DMNUTWXVAYFDSJ-QGZVFWFLSA-N -1 1 335.407 2.610 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)=O)cs2)c1 ZINC000741111404 1269310966 /nfs/dbraw/zinc/31/09/66/1269310966.db2.gz MXTUENYAFKIOML-CQSZACIVSA-N -1 1 342.376 2.920 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000744179069 1270917483 /nfs/dbraw/zinc/91/74/83/1270917483.db2.gz WNNLZUGOXRHYCX-CQSZACIVSA-N -1 1 343.404 2.974 20 30 EFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2ccccc2C#N)c1 ZINC000744467862 1271059131 /nfs/dbraw/zinc/05/91/31/1271059131.db2.gz AKNDREJGGXXAAD-UHFFFAOYSA-N -1 1 339.347 2.631 20 30 EFEDMM C#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000744622612 1271117467 /nfs/dbraw/zinc/11/74/67/1271117467.db2.gz FNSDRQUTSZYVBL-UHFFFAOYSA-N -1 1 343.404 2.894 20 30 EFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000746491503 1273741323 /nfs/dbraw/zinc/74/13/23/1273741323.db2.gz HLPUVJNQYZENCF-UHFFFAOYSA-N -1 1 339.417 2.970 20 30 EFEDMM C=CCOc1ccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000804140052 1274589716 /nfs/dbraw/zinc/58/97/16/1274589716.db2.gz UJGRYWNLMJEYAH-UHFFFAOYSA-N -1 1 340.408 2.513 20 30 EFEDMM COc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1OC(C)C ZINC000785514667 1275105616 /nfs/dbraw/zinc/10/56/16/1275105616.db2.gz FUPMVNSQUMMVTG-UHFFFAOYSA-N -1 1 340.379 2.990 20 30 EFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](F)(C#N)C2)c([O-])c1 ZINC000787377203 1275761725 /nfs/dbraw/zinc/76/17/25/1275761725.db2.gz ZRCHEHOYTJTPRQ-QGZVFWFLSA-N -1 1 349.362 2.817 20 30 EFEDMM Cn1c2ccccc2nc1N=NCc1cccc(OCCC(=O)[O-])c1 ZINC000746679478 1275765995 /nfs/dbraw/zinc/76/59/95/1275765995.db2.gz HSALEVKUVDXYHJ-UHFFFAOYSA-N -1 1 338.367 2.873 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787831336 1275931727 /nfs/dbraw/zinc/93/17/27/1275931727.db2.gz JFIWOQUFVLXNFO-OAHLLOKOSA-N -1 1 334.734 2.520 20 30 EFEDMM N#Cc1ccc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000787956083 1275983967 /nfs/dbraw/zinc/98/39/67/1275983967.db2.gz PEKPFIANIFTGQD-UHFFFAOYSA-N -1 1 337.310 2.946 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNc3ccc4c(cc[nH]c4=O)c3)n[nH]c2c1 ZINC000789073640 1276477735 /nfs/dbraw/zinc/47/77/35/1276477735.db2.gz OTIXQIPLHAWNET-UHFFFAOYSA-N -1 1 347.334 2.549 20 30 EFEDMM CCCCCCCCOCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819970702 1276956112 /nfs/dbraw/zinc/95/61/12/1276956112.db2.gz PXKXNEYIMMPUMF-AWEZNQCLSA-N -1 1 339.436 2.858 20 30 EFEDMM N#CC1(c2ccccc2)CCC(Nc2[n-]c(=O)nc3nc[nH]c32)CC1 ZINC001170368272 1279043523 /nfs/dbraw/zinc/04/35/23/1279043523.db2.gz OYPRAXQKRAWSTL-UHFFFAOYSA-N -1 1 334.383 2.875 20 30 EFEDMM CCOC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C#N ZINC000790903432 1277859632 /nfs/dbraw/zinc/85/96/32/1277859632.db2.gz DZXSCMMVCWSZIM-UHFFFAOYSA-N -1 1 341.323 2.790 20 30 EFEDMM C#C[C@@H](CCC)NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000791067574 1277936600 /nfs/dbraw/zinc/93/66/00/1277936600.db2.gz SXVLDKBSAWMNSF-INIZCTEOSA-N -1 1 328.412 2.798 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000792962635 1279307943 /nfs/dbraw/zinc/30/79/43/1279307943.db2.gz NLESGNREPDSMRG-UHFFFAOYSA-N -1 1 339.420 2.638 20 30 EFEDMM CC[C@H](NN=C(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1)C(=O)[O-] ZINC000793077775 1279359182 /nfs/dbraw/zinc/35/91/82/1279359182.db2.gz IKGBDEJYMCGLAH-INIZCTEOSA-N -1 1 333.432 2.555 20 30 EFEDMM CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc2cncn2c1)c1ccccc1 ZINC000793278661 1279481663 /nfs/dbraw/zinc/48/16/63/1279481663.db2.gz DZIKEKBXNHPSQY-QZTJIDSGSA-N -1 1 346.390 2.924 20 30 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EFEDMM N#Cc1cc2cccnc2nc1[N-]C(=O)c1ncnc(Cl)c1Cl ZINC001195014795 1293762654 /nfs/dbraw/zinc/76/26/54/1293762654.db2.gz NESQTIHVRXQSAJ-UHFFFAOYSA-N -1 1 345.149 2.851 20 30 EFEDMM O=C1C=C([N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC001195496667 1293942494 /nfs/dbraw/zinc/94/24/94/1293942494.db2.gz UPFHPUCGHYVLBW-UHFFFAOYSA-N -1 1 348.193 2.503 20 30 EFEDMM N#CCCSc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826382270 1293989255 /nfs/dbraw/zinc/98/92/55/1293989255.db2.gz WJCOYILWLARGBS-UHFFFAOYSA-N -1 1 337.412 2.880 20 30 EFEDMM N#CCCSc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826382270 1293989260 /nfs/dbraw/zinc/98/92/60/1293989260.db2.gz WJCOYILWLARGBS-UHFFFAOYSA-N -1 1 337.412 2.880 20 30 EFEDMM COC(=O)c1cccc(NC(=S)Nc2scc([O-])c2C#N)c1 ZINC001195816524 1294030460 /nfs/dbraw/zinc/03/04/60/1294030460.db2.gz KFHNZTDMPHKBJJ-UHFFFAOYSA-N -1 1 333.394 2.921 20 30 EFEDMM N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196015457 1294105715 /nfs/dbraw/zinc/10/57/15/1294105715.db2.gz AOJLEWDEHSOVJZ-UHFFFAOYSA-N -1 1 348.815 2.680 20 30 EFEDMM C=C(C)CNC(=O)c1cc(I)c(C)cc1[O-] ZINC001196142256 1294141627 /nfs/dbraw/zinc/14/16/27/1294141627.db2.gz YCKRNABYBUJYBI-UHFFFAOYSA-N -1 1 331.153 2.611 20 30 EFEDMM CN(C)c1cc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)[nH]n1 ZINC001196308835 1294185754 /nfs/dbraw/zinc/18/57/54/1294185754.db2.gz AKXBTZCVBOIXGF-UHFFFAOYSA-N -1 1 347.378 2.972 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCc4n[nH]cc4C3)c2)c1 ZINC001196309668 1294186475 /nfs/dbraw/zinc/18/64/75/1294186475.db2.gz ZXKJAQVPGWWIOO-UHFFFAOYSA-N -1 1 344.374 2.852 20 30 EFEDMM CSc1nnc([N-]C(=S)Nc2ccccc2C#N)c(SC)n1 ZINC001196287218 1294192771 /nfs/dbraw/zinc/19/27/71/1294192771.db2.gz VHKCXBKTBOPSLP-UHFFFAOYSA-N -1 1 348.482 2.996 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C(=O)[O-])s2)C1=O ZINC001273718965 1294207857 /nfs/dbraw/zinc/20/78/57/1294207857.db2.gz LKDOYCWNNYIBPO-QGZVFWFLSA-N -1 1 334.441 2.589 20 30 EFEDMM C#C[C@@H](CC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124772 1313061936 /nfs/dbraw/zinc/06/19/36/1313061936.db2.gz KWWKESVHMOUUKJ-JTQLQIEISA-N -1 1 326.304 2.854 20 30 EFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1C ZINC000121443361 1294265623 /nfs/dbraw/zinc/26/56/23/1294265623.db2.gz XLPYTEPCPPNCIA-NSHDSACASA-N -1 1 329.381 2.811 20 30 EFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1C ZINC000121443504 1294265938 /nfs/dbraw/zinc/26/59/38/1294265938.db2.gz XLPYTEPCPPNCIA-LLVKDONJSA-N -1 1 329.381 2.811 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(O)cc1Cl ZINC001196652388 1294320075 /nfs/dbraw/zinc/32/00/75/1294320075.db2.gz YNCUVIBWEOPLNL-UHFFFAOYSA-N -1 1 344.179 2.766 20 30 EFEDMM Cc1nc(C#N)c([N-]C(=O)c2csc(COC(=O)C(C)(C)C)n2)o1 ZINC001197003354 1294434175 /nfs/dbraw/zinc/43/41/75/1294434175.db2.gz KMIOARBPZGPGOT-UHFFFAOYSA-N -1 1 348.384 2.653 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(/C=C/C(=O)OC)c2)c1 ZINC001197107215 1294459862 /nfs/dbraw/zinc/45/98/62/1294459862.db2.gz PEQGYBAPFRKSBX-ZHACJKMWSA-N -1 1 341.388 2.655 20 30 EFEDMM N#Cc1ccnnc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197704376 1294677556 /nfs/dbraw/zinc/67/75/56/1294677556.db2.gz CEBGLQHUMFBIFF-UHFFFAOYSA-N -1 1 346.346 2.885 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1cc(Oc2cccnc2)ccn1 ZINC001197732654 1294697777 /nfs/dbraw/zinc/69/77/77/1294697777.db2.gz AZPVIDQQUGDDPF-UHFFFAOYSA-N -1 1 349.350 2.708 20 30 EFEDMM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197781804 1294713092 /nfs/dbraw/zinc/71/30/92/1294713092.db2.gz AQBFHQFKUPZSBS-UHFFFAOYSA-N -1 1 345.500 2.647 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1Cl ZINC001198105289 1294897837 /nfs/dbraw/zinc/89/78/37/1294897837.db2.gz IQLBELGSYBRVGD-UHFFFAOYSA-N -1 1 344.783 2.956 20 30 EFEDMM Cc1nn(C2CCOCC2)c(C)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001198444403 1295061235 /nfs/dbraw/zinc/06/12/35/1295061235.db2.gz PFEHIRIPCACWFT-UHFFFAOYSA-N -1 1 340.383 2.681 20 30 EFEDMM N#CCCCN1CC[C@]2(CCCN2Cc2ccc([S-])cc2)C1=O ZINC001274112015 1295462825 /nfs/dbraw/zinc/46/28/25/1295462825.db2.gz BQXQGEKRKSUFIX-GOSISDBHSA-N -1 1 329.469 2.846 20 30 EFEDMM C#C[C@@H]1CCC[C@@H]1Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234555905 1313156164 /nfs/dbraw/zinc/15/61/64/1313156164.db2.gz ZCIVQYAHKXATKD-OCCSQVGLSA-N -1 1 338.363 2.817 20 30 EFEDMM C#C[C@@H]1CCC[C@H]1Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234555907 1313156312 /nfs/dbraw/zinc/15/63/12/1313156312.db2.gz ZCIVQYAHKXATKD-TZMCWYRMSA-N -1 1 338.363 2.817 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H](C#N)c1ccccc1F ZINC001234558824 1313156616 /nfs/dbraw/zinc/15/66/16/1313156616.db2.gz YHCCYYGGFJLTFX-LBPRGKRZSA-N -1 1 345.330 2.875 20 30 EFEDMM CCC#C[C@@H](C)Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234556436 1313157001 /nfs/dbraw/zinc/15/70/01/1313157001.db2.gz FGXYOUFKMGQHIB-GFCCVEGCSA-N -1 1 326.352 2.817 20 30 EFEDMM C=C[C@]1(C)CC[C@H](Oc2c(C(N)=O)nc(C(C)C)[n-]c2=O)C(C)(C)O1 ZINC001234564230 1313158907 /nfs/dbraw/zinc/15/89/07/1313158907.db2.gz BCYVRANWPYEEIZ-BBATYDOGSA-N -1 1 349.431 2.686 20 30 EFEDMM CC[C@@H](C#Cc1ccccc1)Oc1c(=O)[n-]c(C(C)C)nc1C(N)=O ZINC001234564602 1313159600 /nfs/dbraw/zinc/15/96/00/1313159600.db2.gz FXZQQIBLKKIYHW-AWEZNQCLSA-N -1 1 339.395 2.614 20 30 EFEDMM C=CCOc1ccccc1[C@@H](C)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564991 1313159621 /nfs/dbraw/zinc/15/96/21/1313159621.db2.gz RUCGQOAPGRLTLD-LLVKDONJSA-N -1 1 344.367 2.982 20 30 EFEDMM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2c(C(=O)OC)nc(C)[n-]c2=O)O1 ZINC001234565032 1313159683 /nfs/dbraw/zinc/15/96/83/1313159683.db2.gz SQDKYWLBVUWTJR-GTNSWQLSSA-N -1 1 336.388 2.558 20 30 EFEDMM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2c(C(N)=O)nc(C(C)C)[n-]c2=O)O1 ZINC001234566223 1313159910 /nfs/dbraw/zinc/15/99/10/1313159910.db2.gz VKTACNVTBCUVIU-VOJFVSQTSA-N -1 1 349.431 2.686 20 30 EFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(OC2CCC2)ncn1 ZINC001199476891 1295554624 /nfs/dbraw/zinc/55/46/24/1295554624.db2.gz WPOVTTHASNEWQP-UHFFFAOYSA-N -1 1 330.294 2.810 20 30 EFEDMM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)c(F)cc2C(=O)OC)O1 ZINC001234607762 1313166940 /nfs/dbraw/zinc/16/69/40/1313166940.db2.gz GZUXUXVDDCWSGC-PXAZEXFGSA-N -1 1 339.363 2.994 20 30 EFEDMM C#C[C@@H](CC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751249 1313188865 /nfs/dbraw/zinc/18/88/65/1313188865.db2.gz VQVCQFLRAKUYPV-JTQLQIEISA-N -1 1 326.304 2.854 20 30 EFEDMM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1ccccc1C=N[O-] ZINC001234823033 1313194327 /nfs/dbraw/zinc/19/43/27/1313194327.db2.gz QNRSXBAYTMKLNW-KKUMJFAQSA-N -1 1 325.405 2.719 20 30 EFEDMM C=CCN1CC[C@@]2(CCCN2Cc2cc(Cl)cc(F)c2[O-])C1=O ZINC001274366483 1296074794 /nfs/dbraw/zinc/07/47/94/1296074794.db2.gz YBEXSQRSWQELBC-KRWDZBQOSA-N -1 1 338.810 2.938 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2Cc2cc([O-])c(F)c(F)c2)C1=O ZINC001274808148 1296182587 /nfs/dbraw/zinc/18/25/87/1296182587.db2.gz RIAZMAGSHYOQFW-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201074199 1296576189 /nfs/dbraw/zinc/57/61/89/1296576189.db2.gz XECCYVVLMKEFHI-LBPRGKRZSA-N -1 1 349.225 2.949 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1C#N ZINC001201288112 1296682775 /nfs/dbraw/zinc/68/27/75/1296682775.db2.gz VHTFAVPBDQTYMJ-UHFFFAOYSA-N -1 1 344.392 2.829 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)nc2Cl)cc1C#N ZINC001201295663 1296710174 /nfs/dbraw/zinc/71/01/74/1296710174.db2.gz XEBQJELZXHYQEH-UHFFFAOYSA-N -1 1 336.804 2.728 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C)cc3c2)cc1C#N ZINC001201316213 1296723185 /nfs/dbraw/zinc/72/31/85/1296723185.db2.gz ZUDJTDIIDHBQBH-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201317618 1296723637 /nfs/dbraw/zinc/72/36/37/1296723637.db2.gz XNNVIPOSZQVPBX-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1O ZINC001201317520 1296723998 /nfs/dbraw/zinc/72/39/98/1296723998.db2.gz UQFBSUOGDREXIF-UHFFFAOYSA-N -1 1 330.365 2.576 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)ccc1C ZINC001201316880 1296724183 /nfs/dbraw/zinc/72/41/83/1296724183.db2.gz GHJPUYNIEOAWNC-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1C#N ZINC001201317751 1296724514 /nfs/dbraw/zinc/72/45/14/1296724514.db2.gz ZOLRKHRUNFAFQM-UHFFFAOYSA-N -1 1 327.365 2.548 20 30 EFEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1F ZINC001201320222 1296725459 /nfs/dbraw/zinc/72/54/59/1296725459.db2.gz RWINBHKNDHAXGA-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc(F)c1F ZINC001201324120 1296729465 /nfs/dbraw/zinc/72/94/65/1296729465.db2.gz WBBBNTQMCFSCFA-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM Cc1cc(=O)[n-]c(N=NC2CN(Cc3ccccc3)CC[C@H]2C)n1 ZINC000776177185 1296816521 /nfs/dbraw/zinc/81/65/21/1296816521.db2.gz KNGLJWUFWSJJSR-CYBMUJFWSA-N -1 1 325.416 2.801 20 30 EFEDMM O=S(=O)(c1ccccc1-c1cccc(/C=N/[O-])c1)N1CCCC1 ZINC001236212722 1313456633 /nfs/dbraw/zinc/45/66/33/1313456633.db2.gz QXTWMPMXKNATLJ-QGOAFFKASA-N -1 1 330.409 2.946 20 30 EFEDMM O=S(=O)(c1ccccc1-c1ccccc1C=N[O-])N1CCCC1 ZINC001236221032 1313457588 /nfs/dbraw/zinc/45/75/88/1313457588.db2.gz KWPBWIGFQQJQKD-UHFFFAOYSA-N -1 1 330.409 2.946 20 30 EFEDMM C#CCC[N@H+](CCOC)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000852749444 1299857993 /nfs/dbraw/zinc/85/79/93/1299857993.db2.gz YHNHGKFMIVEBOP-UHFFFAOYSA-N -1 1 335.787 2.624 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)ccc1C#N ZINC000795381696 1300875508 /nfs/dbraw/zinc/87/55/08/1300875508.db2.gz QFCUWHQOXVKDMR-LLVKDONJSA-N -1 1 334.372 2.860 20 30 EFEDMM Cc1cc(C)c(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000748248821 1313831534 /nfs/dbraw/zinc/83/15/34/1313831534.db2.gz YPTXDZHDIUNQHX-UHFFFAOYSA-N -1 1 347.396 2.832 20 30 EFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1sccc1C ZINC000748255149 1313834424 /nfs/dbraw/zinc/83/44/24/1313834424.db2.gz NMSGTYNQZRSJRH-UHFFFAOYSA-N -1 1 339.398 2.667 20 30 EFEDMM CCOC(=O)c1scnc1/C=C\C(=O)c1cc(OC)ccc1[O-] ZINC000794941008 1303744043 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JULTVKJCNWCRKN-UHFFFAOYSA-N -1 1 326.377 2.629 20 30 EFEDMM COc1ccc(F)c(F)c1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260043923 1316310736 /nfs/dbraw/zinc/31/07/36/1316310736.db2.gz REESUVLNJSWYBM-UHFFFAOYSA-N -1 1 338.335 2.787 20 30 EFEDMM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)s1 ZINC001260492291 1316341695 /nfs/dbraw/zinc/34/16/95/1316341695.db2.gz SBJQIGDNUXGKGB-UHFFFAOYSA-N -1 1 343.655 2.744 20 30 EFEDMM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC001260818420 1316371472 /nfs/dbraw/zinc/37/14/72/1316371472.db2.gz RRONPHJXXBHPLK-UHFFFAOYSA-N -1 1 343.195 2.597 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C)ccc1C#N ZINC001260999565 1316383154 /nfs/dbraw/zinc/38/31/54/1316383154.db2.gz UTUWSAVBFVUXRO-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CC#CC(C)(C)C ZINC001261064372 1316387263 /nfs/dbraw/zinc/38/72/63/1316387263.db2.gz YJZKXNSNECGCSE-UHFFFAOYSA-N -1 1 349.861 2.516 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC=C(C)CC1 ZINC001262943678 1316506468 /nfs/dbraw/zinc/50/64/68/1316506468.db2.gz WVIDZQGBYPUYPL-UHFFFAOYSA-N -1 1 338.415 2.661 20 30 EFEDMM Cc1cnc(Cl)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001263331623 1316532370 /nfs/dbraw/zinc/53/23/70/1316532370.db2.gz UZBGZHLJKKJGEY-LBPRGKRZSA-N -1 1 329.791 2.851 20 30 EFEDMM N#CCCN(Cc1cccnc1)C(=O)c1ncc2ccccc2c1[O-] ZINC001292179337 1322041476 /nfs/dbraw/zinc/04/14/76/1322041476.db2.gz RYLCKXXYQCIKKL-UHFFFAOYSA-N -1 1 332.363 2.891 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc([S@@](C)=O)cc1 ZINC001320212868 1329104593 /nfs/dbraw/zinc/10/45/93/1329104593.db2.gz UAHPZZHVTLLHJR-HSZRJFAPSA-N -1 1 332.381 2.577 20 30 EFEDMM CC#CC[C@H](NCc1c(C)nn(-c2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001332032976 1330907676 /nfs/dbraw/zinc/90/76/76/1330907676.db2.gz RTTDCKOQHSUMIE-HNNXBMFYSA-N -1 1 349.793 2.929 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc2n[nH]cc21 ZINC001336598586 1331485871 /nfs/dbraw/zinc/48/58/71/1331485871.db2.gz DLQSACCCWKBLAJ-UHFFFAOYSA-N -1 1 326.381 2.738 20 30 EFEDMM CC(=NNC(=S)NCc1cccnc1)c1ccc([O-])c(Cl)c1 ZINC001338093512 1331651790 /nfs/dbraw/zinc/65/17/90/1331651790.db2.gz IXYFXCPJYJXXTI-UHFFFAOYSA-N -1 1 334.832 2.829 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H](C)C1 ZINC001338862247 1331749142 /nfs/dbraw/zinc/74/91/42/1331749142.db2.gz CKNSOYYZSJQXMJ-LBPRGKRZSA-N -1 1 340.431 2.740 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CC(C)(C)C ZINC001340224820 1332156761 /nfs/dbraw/zinc/15/67/61/1332156761.db2.gz YBXNJGBFOOZTOV-UHFFFAOYSA-N -1 1 342.447 2.986 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(Cc1cccs1)C1CC1 ZINC001342177647 1332313689 /nfs/dbraw/zinc/31/36/89/1332313689.db2.gz PRODVMXTNZIHGQ-UHFFFAOYSA-N -1 1 342.428 2.790 20 30 EFEDMM COc1ncccc1C([O-])=C(C#N)c1nccn1Cc1ccccc1 ZINC001344535172 1332461995 /nfs/dbraw/zinc/46/19/95/1332461995.db2.gz XNGZVIKIOJMBFK-MRXNPFEDSA-N -1 1 332.363 2.825 20 30 EFEDMM CCc1csc(-n2cc(C([O-])=C(C#N)c3nccn3CC)cn2)n1 ZINC001346095828 1332598249 /nfs/dbraw/zinc/59/82/49/1332598249.db2.gz KGGFGLABCVMJJE-ZDUSSCGKSA-N -1 1 340.412 2.598 20 30 EFEDMM CCn1ccnc1C(C#N)=C([O-])c1ccn(CCc2ccccc2)n1 ZINC001347337627 1332735695 /nfs/dbraw/zinc/73/56/95/1332735695.db2.gz KVHPWVHCXCNNHF-MRXNPFEDSA-N -1 1 333.395 2.832 20 30 EFEDMM N#Cc1c([O-])csc1NC(=S)NCc1ccc2c(c1)OCO2 ZINC001200719674 1334404338 /nfs/dbraw/zinc/40/43/38/1334404338.db2.gz ZHYHIEIFTUXSOJ-UHFFFAOYSA-N -1 1 333.394 2.541 20 30 EFEDMM N#CCc1ccccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000849210803 1335569621 /nfs/dbraw/zinc/56/96/21/1335569621.db2.gz ABNIMWCDHBMMKY-UHFFFAOYSA-N -1 1 335.315 2.922 20 30 EFEDMM N#CCOc1cccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001361964016 1336441401 /nfs/dbraw/zinc/44/14/01/1336441401.db2.gz VJBSLJIYHWJJEM-UHFFFAOYSA-N -1 1 330.771 2.807 20 30 EFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCc1nn[n-]n1 ZINC001362148541 1336525497 /nfs/dbraw/zinc/52/54/97/1336525497.db2.gz DCGJHIPRPHTMDH-NSHDSACASA-N -1 1 330.417 2.555 20 30 EFEDMM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1F ZINC001362205178 1336553060 /nfs/dbraw/zinc/55/30/60/1336553060.db2.gz GWSXIACYIYFLPO-UHFFFAOYSA-N -1 1 328.343 2.692 20 30 EFEDMM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccccc1F ZINC001364007539 1337147554 /nfs/dbraw/zinc/14/75/54/1337147554.db2.gz GXYCQKVUCPLCAG-QGZVFWFLSA-N -1 1 346.383 2.614 20 30 EFEDMM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccccc1F ZINC001364873664 1337206525 /nfs/dbraw/zinc/20/65/25/1337206525.db2.gz LSAATVBYGQYSHY-QGZVFWFLSA-N -1 1 346.383 2.614 20 30 EFEDMM N#Cc1cnc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c(Cl)c1 ZINC001417574440 1373050813 /nfs/dbraw/zinc/05/08/13/1373050813.db2.gz BQBIHJHTABDGKQ-SECBINFHSA-N -1 1 335.776 2.562 20 30 EFEDMM Cc1nc(C(=O)Nc2cccc([O-])c2Br)ccc1C#N ZINC001417873787 1373366325 /nfs/dbraw/zinc/36/63/25/1373366325.db2.gz MIRJCOGTVIJEII-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM Cc1cc(-n2cccn2)ccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001457147656 1394999980 /nfs/dbraw/zinc/99/99/80/1394999980.db2.gz MZWYUBDCTOFZHS-UHFFFAOYSA-N -1 1 332.363 2.688 20 30 EFEDMM CC[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001464183214 1396554077 /nfs/dbraw/zinc/55/40/77/1396554077.db2.gz UEWLQOGZEAGGBL-ZDUSSCGKSA-N -1 1 343.408 2.976 20 30 EFEDMM CCc1sc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000736714653 1426636554 /nfs/dbraw/zinc/63/65/54/1426636554.db2.gz YSNAIRLPOXFCPF-UHFFFAOYSA-N -1 1 338.396 2.923 20 30 EFEDMM C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380585 1426645219 /nfs/dbraw/zinc/64/52/19/1426645219.db2.gz WQHJIRJETSNFKQ-LBPRGKRZSA-N -1 1 347.382 2.815 20 30 EFEDMM C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000735408451 1427836138 /nfs/dbraw/zinc/83/61/38/1427836138.db2.gz LMPUEHDERROBEN-AWEZNQCLSA-N -1 1 343.431 2.839 20 30 EFEDMM CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)C[C@H](C)C#N ZINC000825428433 1428127790 /nfs/dbraw/zinc/12/77/90/1428127790.db2.gz MSOVNDITPJQQSK-SNVBAGLBSA-N -1 1 349.236 2.611 20 30 EFEDMM N#Cc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000826387230 1428704130 /nfs/dbraw/zinc/70/41/30/1428704130.db2.gz LGYWUKHFDRHYEE-NTEUORMPSA-N -1 1 327.347 2.951 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826384186 1428738783 /nfs/dbraw/zinc/73/87/83/1428738783.db2.gz KMTWEJJRSCJUEZ-GQCTYLIASA-N -1 1 337.289 2.913 20 30 EFEDMM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401280 1428765529 /nfs/dbraw/zinc/76/55/29/1428765529.db2.gz UNPZLGIFCOLBEY-ALCCZGGFSA-N -1 1 334.314 2.550 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826176984 1428773220 /nfs/dbraw/zinc/77/32/20/1428773220.db2.gz MMVUTGXXWIJLLX-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826176984 1428773222 /nfs/dbraw/zinc/77/32/22/1428773222.db2.gz MMVUTGXXWIJLLX-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C1CC1 ZINC000823904041 1429032203 /nfs/dbraw/zinc/03/22/03/1429032203.db2.gz SNFMKFZLDOWRPT-UHFFFAOYSA-N -1 1 342.403 2.836 20 30 EFEDMM C=CCN(CC=C)C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819740361 1429209257 /nfs/dbraw/zinc/20/92/57/1429209257.db2.gz YHXOQZQFFPUCLT-UHFFFAOYSA-N -1 1 349.847 2.813 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1O ZINC000826190527 1429264006 /nfs/dbraw/zinc/26/40/06/1429264006.db2.gz DYILKCOWNLXCPQ-KXFIGUGUSA-N -1 1 340.314 2.616 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)C(F)(F)F ZINC000819743821 1429344726 /nfs/dbraw/zinc/34/47/26/1429344726.db2.gz QAMXFTACBRQAQF-SNVBAGLBSA-N -1 1 339.321 2.580 20 30 EFEDMM CCCCCCCCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825271390 1429397126 /nfs/dbraw/zinc/39/71/26/1429397126.db2.gz IPUOYDHTWRZSCM-UHFFFAOYSA-N -1 1 334.424 2.572 20 30 EFEDMM Fc1ccccc1C=NOCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737669139 1429435096 /nfs/dbraw/zinc/43/50/96/1429435096.db2.gz KRXOVBFPUUXDLE-UHFFFAOYSA-N -1 1 341.346 2.825 20 30 EFEDMM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cccc(-c2nnn[n-]2)c1 ZINC000735451187 1429576420 /nfs/dbraw/zinc/57/64/20/1429576420.db2.gz SBLZBBSDTXQJGZ-UHFFFAOYSA-N -1 1 337.343 2.919 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccnc(Cl)c1 ZINC000826400592 1429603941 /nfs/dbraw/zinc/60/39/41/1429603941.db2.gz CBBKIHAUOQBSRX-DUXPYHPUSA-N -1 1 329.722 2.950 20 30 EFEDMM N#CCCCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000737686464 1429613200 /nfs/dbraw/zinc/61/32/00/1429613200.db2.gz BQSLGHJDGYMHLG-UHFFFAOYSA-N -1 1 346.394 2.957 20 30 EFEDMM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823954112 1423409276 /nfs/dbraw/zinc/40/92/76/1423409276.db2.gz ZVZULQHVJLEYNX-UHFFFAOYSA-N -1 1 349.423 2.990 20 30 EFEDMM COc1cc(F)cc(NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826180503 1423701238 /nfs/dbraw/zinc/70/12/38/1423701238.db2.gz KPBHSMUDMFKFAX-UHFFFAOYSA-N -1 1 344.325 2.990 20 30 EFEDMM N#Cc1ccccc1Oc1ccc(C(=O)Nc2nn[n-]n2)cc1Cl ZINC000090634910 1423769203 /nfs/dbraw/zinc/76/92/03/1423769203.db2.gz XOHLQIVLKUSHNR-UHFFFAOYSA-N -1 1 340.730 2.769 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(SC[C@@H]2CCc3ccccc32)nc1N ZINC000826383467 1424072905 /nfs/dbraw/zinc/07/29/05/1424072905.db2.gz BNCVKSTTZXTAGY-NSHDSACASA-N -1 1 349.423 2.538 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCO2 ZINC000822923070 1429698573 /nfs/dbraw/zinc/69/85/73/1429698573.db2.gz NPFPIKOYKOWULU-HYXAFXHYSA-N -1 1 336.326 2.837 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729014 1424659067 /nfs/dbraw/zinc/65/90/67/1424659067.db2.gz AGBPATAOXBWKMU-GFCCVEGCSA-N -1 1 334.383 2.915 20 30 EFEDMM C[C@H](C#N)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034939 1424689022 /nfs/dbraw/zinc/68/90/22/1424689022.db2.gz QMVZRUNLKPSDHF-OLZOCXBDSA-N -1 1 346.394 2.871 20 30 EFEDMM CC(C)CCN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820076580 1424982006 /nfs/dbraw/zinc/98/20/06/1424982006.db2.gz NUQTUKFTWZCRRC-UHFFFAOYSA-N -1 1 329.364 2.541 20 30 EFEDMM CC(C)CCN(CCC#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820076999 1425000671 /nfs/dbraw/zinc/00/06/71/1425000671.db2.gz XIXXNGHIRILODN-UHFFFAOYSA-N -1 1 327.392 2.660 20 30 EFEDMM Cc1c(NC(=O)C=Cc2ccccc2C#N)cccc1-c1nnn[n-]1 ZINC000822068928 1425047817 /nfs/dbraw/zinc/04/78/17/1425047817.db2.gz WMODSUFBTRINKY-KTKRTIGZSA-N -1 1 330.351 2.699 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(F)ccc1C#N ZINC000821394106 1425052730 /nfs/dbraw/zinc/05/27/30/1425052730.db2.gz GJCDVSWDBMREDK-UHFFFAOYSA-N -1 1 339.330 2.855 20 30 EFEDMM C=C[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823883399 1429775120 /nfs/dbraw/zinc/77/51/20/1429775120.db2.gz QCMCMDPEPICDCF-CYBMUJFWSA-N -1 1 348.410 2.907 20 30 EFEDMM C[C@H](Nc1nc2ccccn2c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663361 1425091775 /nfs/dbraw/zinc/09/17/75/1425091775.db2.gz YFLYUYOYCCFNNF-NSHDSACASA-N -1 1 330.355 2.559 20 30 EFEDMM c1ccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)cc1 ZINC000823786676 1425265609 /nfs/dbraw/zinc/26/56/09/1425265609.db2.gz AVPYRJIDGFJGHB-UHFFFAOYSA-N -1 1 335.396 2.595 20 30 EFEDMM C#C[C@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823837964 1425316642 /nfs/dbraw/zinc/31/66/42/1425316642.db2.gz JHJZGUAFFCUHOK-GZKZCVOOSA-N -1 1 344.374 2.668 20 30 EFEDMM C=CCOc1ccccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819759280 1425523936 /nfs/dbraw/zinc/52/39/36/1425523936.db2.gz RPWRFZHEZLNLFA-ZDUSSCGKSA-N -1 1 349.394 2.923 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCC#N)cc1 ZINC000822145177 1425598317 /nfs/dbraw/zinc/59/83/17/1425598317.db2.gz OKCQNCRJCJVNBE-UHFFFAOYSA-N -1 1 335.323 2.648 20 30 EFEDMM CC[C@H]1C[C@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000825183437 1425648940 /nfs/dbraw/zinc/64/89/40/1425648940.db2.gz OQGBFMLJIUGLHX-KOLCDFICSA-N -1 1 335.799 2.518 20 30 EFEDMM O=C1c2cccc(O)c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504917 1425894991 /nfs/dbraw/zinc/89/49/91/1425894991.db2.gz VNDKGOMEQABUFJ-FLIBITNWSA-N -1 1 336.326 2.924 20 30 EFEDMM N#CC1(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000826380068 1425913889 /nfs/dbraw/zinc/91/38/89/1425913889.db2.gz LUPROPRXYMUXNZ-UHFFFAOYSA-N -1 1 339.399 2.817 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H](C)C#N)cc1 ZINC000822135802 1425934558 /nfs/dbraw/zinc/93/45/58/1425934558.db2.gz FEQRQJINPFXVQJ-GFCCVEGCSA-N -1 1 348.366 2.609 20 30 EFEDMM C#C[C@@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823837966 1426003458 /nfs/dbraw/zinc/00/34/58/1426003458.db2.gz JHJZGUAFFCUHOK-QOHRORDFSA-N -1 1 344.374 2.668 20 30 EFEDMM CCn1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000825799268 1426017502 /nfs/dbraw/zinc/01/75/02/1426017502.db2.gz HEURZWGGABDCQB-UHFFFAOYSA-N -1 1 330.783 2.573 20 30 EFEDMM CCO[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C12CCC2 ZINC000825576424 1426186758 /nfs/dbraw/zinc/18/67/58/1426186758.db2.gz GIJNWMBGBYZUEC-NSHDSACASA-N -1 1 347.810 2.662 20 30 EFEDMM COCc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826164905 1426411754 /nfs/dbraw/zinc/41/17/54/1426411754.db2.gz WOIRPNZZRLMYGD-AATRIKPKSA-N -1 1 326.381 2.971 20 30 EFEDMM FC(F)(F)c1ccc(C#CCNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822723740 1426541967 /nfs/dbraw/zinc/54/19/67/1426541967.db2.gz MTLKIPONQSHPLF-UHFFFAOYSA-N -1 1 347.300 2.620 20 30 EFEDMM COc1cccc2c1OCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826218112 1426559880 /nfs/dbraw/zinc/55/98/80/1426559880.db2.gz PLPDRBDYHIKCJE-FMIVXFBMSA-N -1 1 334.335 2.534 20 30 EFEDMM CCC1(CC)C(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C[C@H]1OC ZINC000820955989 1426607554 /nfs/dbraw/zinc/60/75/54/1426607554.db2.gz GQNFDQFTIZIKLF-LLVKDONJSA-N -1 1 347.423 2.971 20 30 EFEDMM C=CCOc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000823932467 1426614807 /nfs/dbraw/zinc/61/48/07/1426614807.db2.gz ZWCPTRAZUWVKBG-UHFFFAOYSA-N -1 1 347.378 2.634 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC1(C)C ZINC000735418103 1426654109 /nfs/dbraw/zinc/65/41/09/1426654109.db2.gz AGXIXAOWRWKQPE-OAHLLOKOSA-N -1 1 340.431 2.610 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1Cc2ccccc21 ZINC000735419711 1426679393 /nfs/dbraw/zinc/67/93/93/1426679393.db2.gz ZCQILXWPQYCWRE-GOSISDBHSA-N -1 1 345.406 2.721 20 30 EFEDMM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000737080962 1426755945 /nfs/dbraw/zinc/75/59/45/1426755945.db2.gz JOVBYDDXCVPQHQ-ALCCZGGFSA-N -1 1 331.335 2.643 20 30 EFEDMM FC(F)(F)c1cccnc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822728329 1426911306 /nfs/dbraw/zinc/91/13/06/1426911306.db2.gz HHVIJZKKYWESOZ-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM FC(F)(F)c1cccnc1N=NCc1cc(-c2nn[n-]n2)cs1 ZINC000822728329 1426911308 /nfs/dbraw/zinc/91/13/08/1426911308.db2.gz HHVIJZKKYWESOZ-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM FC(F)(F)c1cccnc1N=NCc1cc(-c2nnn[n-]2)cs1 ZINC000822728329 1426911312 /nfs/dbraw/zinc/91/13/12/1426911312.db2.gz HHVIJZKKYWESOZ-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM C=CCN(CCc1ccco1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000823909976 1427122568 /nfs/dbraw/zinc/12/25/68/1427122568.db2.gz UVNWNGJLCPPQAG-UHFFFAOYSA-N -1 1 340.343 2.603 20 30 EFEDMM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736059501 1427155321 /nfs/dbraw/zinc/15/53/21/1427155321.db2.gz TZYWBCGTIWMBKR-LBPRGKRZSA-N -1 1 332.367 2.556 20 30 EFEDMM C#CC[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819693555 1427204787 /nfs/dbraw/zinc/20/47/87/1427204787.db2.gz UEJNLOSBDKMBEC-HNNXBMFYSA-N -1 1 344.440 2.691 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)n2c1 ZINC000826295652 1427320667 /nfs/dbraw/zinc/32/06/67/1427320667.db2.gz RKKBCDWKIQDARX-GQCTYLIASA-N -1 1 348.341 2.858 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000735418179 1427376360 /nfs/dbraw/zinc/37/63/60/1427376360.db2.gz CUVFFLPGADPYAM-BBRMVZONSA-N -1 1 340.431 2.753 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826257189 1427402294 /nfs/dbraw/zinc/40/22/94/1427402294.db2.gz RLJWVBCPQGVARC-LBPRGKRZSA-N -1 1 333.351 2.965 20 30 EFEDMM CCc1nnc(Sc2cccc(-c3nnn[n-]3)c2)c(C#N)c1CC ZINC000821548429 1427435718 /nfs/dbraw/zinc/43/57/18/1427435718.db2.gz MCUQRNGJWUUNPO-UHFFFAOYSA-N -1 1 337.412 2.804 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(Cl)ccc2Cl)o1 ZINC000826322838 1427470905 /nfs/dbraw/zinc/47/09/05/1427470905.db2.gz DHHXNOBPBPEAAQ-UHFFFAOYSA-N -1 1 338.158 2.916 20 30 EFEDMM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C(C)(C)C)n1 ZINC000826359958 1427518046 /nfs/dbraw/zinc/51/80/46/1427518046.db2.gz UEKYJBYZDBYZLS-CMDGGOBGSA-N -1 1 336.399 2.794 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000826384854 1427624265 /nfs/dbraw/zinc/62/42/65/1427624265.db2.gz MACWJLIEJUGOGF-ONEGZZNKSA-N -1 1 325.328 2.835 20 30 EFEDMM c1cc(C2=NNC(=NC3CCCCC3)SC2)ccc1-c1nnn[n-]1 ZINC000823742674 1427655308 /nfs/dbraw/zinc/65/53/08/1427655308.db2.gz KCPBMHVKUIUYOG-UHFFFAOYSA-N -1 1 341.444 2.596 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)COC2 ZINC000826400566 1427761573 /nfs/dbraw/zinc/76/15/73/1427761573.db2.gz BLPRVRNCKWGHIF-KXFIGUGUSA-N -1 1 336.326 2.932 20 30 EFEDMM C#CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000823839040 1427815508 /nfs/dbraw/zinc/81/55/08/1427815508.db2.gz YXZHYHKSSJIPCU-KRWDZBQOSA-N -1 1 331.379 2.670 20 30 EFEDMM C=CCOc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735435868 1427920971 /nfs/dbraw/zinc/92/09/71/1427920971.db2.gz AKPQJYSNQQKEKP-UHFFFAOYSA-N -1 1 346.350 2.555 20 30 EFEDMM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826044665 1427929036 /nfs/dbraw/zinc/92/90/36/1427929036.db2.gz ITZCNRKMPHIQPO-YCRREMRBSA-N -1 1 331.379 2.755 20 30 EFEDMM CN(Cc1cccc(C#N)c1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825976817 1427929481 /nfs/dbraw/zinc/92/94/81/1427929481.db2.gz RAZFHSXHFBKURF-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000823894789 1428001616 /nfs/dbraw/zinc/00/16/16/1428001616.db2.gz XFGVOBGTIJPBEQ-LLVKDONJSA-N -1 1 330.392 2.742 20 30 EFEDMM C=CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000819759410 1428035915 /nfs/dbraw/zinc/03/59/15/1428035915.db2.gz WUIBVDGBJMBUIF-UHFFFAOYSA-N -1 1 342.380 2.885 20 30 EFEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc(-n2ccnc2)cs1 ZINC000823862153 1428081763 /nfs/dbraw/zinc/08/17/63/1428081763.db2.gz YUXPKLPNURYYCV-UHFFFAOYSA-N -1 1 336.384 2.560 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823932157 1428108392 /nfs/dbraw/zinc/10/83/92/1428108392.db2.gz QOPHMFNKUSAZAZ-UHFFFAOYSA-N -1 1 336.351 2.959 20 30 EFEDMM C#Cc1cccc(NC(=S)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735390642 1428140645 /nfs/dbraw/zinc/14/06/45/1428140645.db2.gz AKFUTFDWVPQZLN-UHFFFAOYSA-N -1 1 334.408 2.681 20 30 EFEDMM Cc1cc(N(C)[C@@H](C)CC#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822205904 1428192357 /nfs/dbraw/zinc/19/23/57/1428192357.db2.gz MYUSMSSIUAMNQZ-LBPRGKRZSA-N -1 1 346.398 2.714 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CC(F)(F)C(F)F ZINC000735426057 1428205963 /nfs/dbraw/zinc/20/59/63/1428205963.db2.gz JQVGLZCBPWSWKE-UHFFFAOYSA-N -1 1 329.301 2.755 20 30 EFEDMM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C#N)cc2C)s1 ZINC000825694107 1429846339 /nfs/dbraw/zinc/84/63/39/1429846339.db2.gz KHHXWNFCYXEFJM-UHFFFAOYSA-N -1 1 338.396 2.923 20 30 EFEDMM C=CCC[C@@H](C)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823894347 1429862907 /nfs/dbraw/zinc/86/29/07/1429862907.db2.gz NRYMCCNOWNRGMY-GFCCVEGCSA-N -1 1 332.429 2.998 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(O)c1 ZINC000821770508 1429976007 /nfs/dbraw/zinc/97/60/07/1429976007.db2.gz VPDZEZFGPSERPY-HWKANZROSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(O)c1 ZINC000821770508 1429976008 /nfs/dbraw/zinc/97/60/08/1429976008.db2.gz VPDZEZFGPSERPY-HWKANZROSA-N -1 1 328.353 2.539 20 30 EFEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822924104 1430029607 /nfs/dbraw/zinc/02/96/07/1430029607.db2.gz XIRLFALWNJTVEU-WAYWQWQTSA-N -1 1 327.325 2.733 20 30 EFEDMM N#Cc1ccc([C@@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384640 1430049746 /nfs/dbraw/zinc/04/97/46/1430049746.db2.gz CZOCGLVOUMWZMR-AWEZNQCLSA-N -1 1 341.758 2.504 20 30 EFEDMM COc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826215701 1441493356 /nfs/dbraw/zinc/49/33/56/1441493356.db2.gz WQOTZNXRZVDGHW-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1C ZINC000826190904 1441654115 /nfs/dbraw/zinc/65/41/15/1441654115.db2.gz QMHHWUJMLWCIAM-UHFFFAOYSA-N -1 1 343.778 2.678 20 30 EFEDMM COc1cc(C#N)ccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821703108 1441691476 /nfs/dbraw/zinc/69/14/76/1441691476.db2.gz PEQRIZLLEBPMIH-UHFFFAOYSA-N -1 1 328.719 2.588 20 30 EFEDMM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823999435 1441723989 /nfs/dbraw/zinc/72/39/89/1441723989.db2.gz AFLBPWMCRWWXJX-DAXSKMNVSA-N -1 1 339.380 2.783 20 30 EFEDMM Clc1ccc2c(c1)CC(=NNCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822581740 1441793244 /nfs/dbraw/zinc/79/32/44/1441793244.db2.gz MWJFPTOKOOAIBK-UHFFFAOYSA-N -1 1 338.802 2.765 20 30 EFEDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(C#N)c1 ZINC000820512303 1441913547 /nfs/dbraw/zinc/91/35/47/1441913547.db2.gz JIXKOUSFAMLOEB-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000737715574 1441925939 /nfs/dbraw/zinc/92/59/39/1441925939.db2.gz BINNGLFXOGWUFJ-ZBFHGGJFSA-N -1 1 336.399 2.893 20 30 EFEDMM O=C1C(=Cc2cnn3ccccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505118 1441955858 /nfs/dbraw/zinc/95/58/58/1441955858.db2.gz XJCXVGAWPJAABA-JLHYYAGUSA-N -1 1 342.362 2.727 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccsc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202829 1441981253 /nfs/dbraw/zinc/98/12/53/1441981253.db2.gz ORLVOOMJTOMNHL-SNAWJCMRSA-N -1 1 325.397 2.880 20 30 EFEDMM COc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826221772 1442034793 /nfs/dbraw/zinc/03/47/93/1442034793.db2.gz UGKMMGOVRYMFLX-SNAWJCMRSA-N -1 1 330.344 2.972 20 30 EFEDMM CCO[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000736616752 1442057949 /nfs/dbraw/zinc/05/79/49/1442057949.db2.gz POILFNKEIGHHJC-JTQLQIEISA-N -1 1 347.423 2.755 20 30 EFEDMM CC#CCOC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819764008 1442237241 /nfs/dbraw/zinc/23/72/41/1442237241.db2.gz DEFRJYQILVJDQO-UHFFFAOYSA-N -1 1 348.362 2.626 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2cc3ccccc3s2)o1 ZINC000822423716 1442282407 /nfs/dbraw/zinc/28/24/07/1442282407.db2.gz NLKRXRYDMYNUCT-UHFFFAOYSA-N -1 1 325.357 2.824 20 30 EFEDMM FC(F)(F)c1cccnc1N=NCc1ccc(-c2nnn[n-]2)s1 ZINC000822729143 1442298319 /nfs/dbraw/zinc/29/83/19/1442298319.db2.gz UNUDAPISYXLIGZ-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM FC(F)(F)c1cccnc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822729143 1442298323 /nfs/dbraw/zinc/29/83/23/1442298323.db2.gz UNUDAPISYXLIGZ-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM FC(F)(F)c1cccnc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822729143 1442298326 /nfs/dbraw/zinc/29/83/26/1442298326.db2.gz UNUDAPISYXLIGZ-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM C#CCCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823837506 1442326364 /nfs/dbraw/zinc/32/63/64/1442326364.db2.gz DFADCUQAOVORDK-AWEZNQCLSA-N -1 1 325.416 2.970 20 30 EFEDMM C=CCN(CCc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823904004 1442334919 /nfs/dbraw/zinc/33/49/19/1442334919.db2.gz QTSSRMCQKLGWMB-UHFFFAOYSA-N -1 1 337.383 2.639 20 30 EFEDMM C#Cc1cccc(N(C(=O)c2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000735389568 1442348866 /nfs/dbraw/zinc/34/88/66/1442348866.db2.gz COYYPJLOFGCZTJ-UHFFFAOYSA-N -1 1 331.379 2.903 20 30 EFEDMM COc1ccc(-c2nn[n-]n2)cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000826183995 1442350607 /nfs/dbraw/zinc/35/06/07/1442350607.db2.gz HQRRJJRBMKAGME-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000826183995 1442350610 /nfs/dbraw/zinc/35/06/10/1442350610.db2.gz HQRRJJRBMKAGME-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM CCc1nnc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C#N)c1CC ZINC000821528748 1442379332 /nfs/dbraw/zinc/37/93/32/1442379332.db2.gz QURAETWHVVDGPA-LLVKDONJSA-N -1 1 348.414 2.826 20 30 EFEDMM N#Cc1ccc(F)c(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826385756 1442419217 /nfs/dbraw/zinc/41/92/17/1442419217.db2.gz ZDRSOSYMPOTFIN-UHFFFAOYSA-N -1 1 349.373 2.763 20 30 EFEDMM c1cc(-c2nnn[n-]2)oc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000819718910 1442428347 /nfs/dbraw/zinc/42/83/47/1442428347.db2.gz UEIILROIIVFBAD-UHFFFAOYSA-N -1 1 346.310 2.595 20 30 EFEDMM N#Cc1ncn(Cc2ccccc2Oc2ccccc2)c1-c1nnn[n-]1 ZINC000826387951 1442447803 /nfs/dbraw/zinc/44/78/03/1442447803.db2.gz BBQFEGLJXORKHL-UHFFFAOYSA-N -1 1 343.350 2.775 20 30 EFEDMM CC(C)c1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cs1 ZINC000735940575 1442452866 /nfs/dbraw/zinc/45/28/66/1442452866.db2.gz RBJSLXOXVAEYIZ-UHFFFAOYSA-N -1 1 339.384 2.571 20 30 EFEDMM C#CCOc1cccc(Oc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000823861925 1442491375 /nfs/dbraw/zinc/49/13/75/1442491375.db2.gz TUKHOQPVPFWJDC-UHFFFAOYSA-N -1 1 333.760 2.781 20 30 EFEDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400610 1443248606 /nfs/dbraw/zinc/24/86/06/1443248606.db2.gz CFSXUJJIQNJJFK-DAXSKMNVSA-N -1 1 339.286 2.810 20 30 EFEDMM Cc1cc(N[C@H](C)CC#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274629 1443387403 /nfs/dbraw/zinc/38/74/03/1443387403.db2.gz PMFSVNLYBWYLGL-LLVKDONJSA-N -1 1 332.371 2.690 20 30 EFEDMM C#C[C@H](C)OC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819689165 1443404408 /nfs/dbraw/zinc/40/44/08/1443404408.db2.gz WSWZUKVBFMRXEE-ZDUSSCGKSA-N -1 1 348.362 2.624 20 30 EFEDMM Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822240996 1443406665 /nfs/dbraw/zinc/40/66/65/1443406665.db2.gz IDGWGVXKWMGYBU-UHFFFAOYSA-N -1 1 338.396 2.797 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737704474 1443441133 /nfs/dbraw/zinc/44/11/33/1443441133.db2.gz JAQLNQRNTSWJJQ-HZPDHXFCSA-N -1 1 348.341 2.620 20 30 EFEDMM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823844960 1443445764 /nfs/dbraw/zinc/44/57/64/1443445764.db2.gz LPNIGZJMFIBJGP-UHFFFAOYSA-N -1 1 349.369 2.590 20 30 EFEDMM N#Cc1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826387752 1443478771 /nfs/dbraw/zinc/47/87/71/1443478771.db2.gz PFZBPXRPKJNLRT-DUXPYHPUSA-N -1 1 325.328 2.835 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000823909357 1443483990 /nfs/dbraw/zinc/48/39/90/1443483990.db2.gz AHMMQGPYJZDWMZ-CZUORRHYSA-N -1 1 325.416 2.818 20 30 EFEDMM CC[C@H]1C[C@@H](CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184828 1443537392 /nfs/dbraw/zinc/53/73/92/1443537392.db2.gz ZWQBCDAISYZVFT-QWRGUYRKSA-N -1 1 347.423 2.755 20 30 EFEDMM C=CCCCOC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735412665 1443559303 /nfs/dbraw/zinc/55/93/03/1443559303.db2.gz HOZWBTIWCGPMSD-OAHLLOKOSA-N -1 1 330.388 2.780 20 30 EFEDMM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826167042 1443596019 /nfs/dbraw/zinc/59/60/19/1443596019.db2.gz MXDKERDXFXKWGA-VURMDHGXSA-N -1 1 340.314 2.616 20 30 EFEDMM C=C(C)COCCNc1ccc(-c2nnn[n-]2)cc1Br ZINC000823878406 1443609993 /nfs/dbraw/zinc/60/99/93/1443609993.db2.gz XWSBGOHHPFBFPP-UHFFFAOYSA-N -1 1 338.209 2.634 20 30 EFEDMM N#Cc1ccc(NC(=O)CCCc2cccs2)cc1-c1nnn[n-]1 ZINC000737716905 1443713720 /nfs/dbraw/zinc/71/37/20/1443713720.db2.gz WNMKBXADRKCKKO-UHFFFAOYSA-N -1 1 338.396 2.761 20 30 EFEDMM C=CCOc1ccccc1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000823932428 1443720483 /nfs/dbraw/zinc/72/04/83/1443720483.db2.gz XVRSPOFGAOGXDG-UHFFFAOYSA-N -1 1 347.382 2.691 20 30 EFEDMM Cc1c(C#N)cccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822016277 1443772050 /nfs/dbraw/zinc/77/20/50/1443772050.db2.gz WTAKPVRYQJZCOI-GFCCVEGCSA-N -1 1 347.382 2.930 20 30 EFEDMM CCC(CC)CN(CCC#N)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000820893815 1443776787 /nfs/dbraw/zinc/77/67/87/1443776787.db2.gz WICKUPLWGLECMW-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CCC(CC)CN(CCC#N)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000820893815 1443776791 /nfs/dbraw/zinc/77/67/91/1443776791.db2.gz WICKUPLWGLECMW-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953488 1443822640 /nfs/dbraw/zinc/82/26/40/1443822640.db2.gz CGZCLTPHXFVENA-UHFFFAOYSA-N -1 1 346.316 2.798 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000826187453 1443888137 /nfs/dbraw/zinc/88/81/37/1443888137.db2.gz QVBMPMKMCMONEC-CLFYSBASSA-N -1 1 336.351 2.780 20 30 EFEDMM CCC(CC)CN(CCC#N)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736338023 1443917215 /nfs/dbraw/zinc/91/72/15/1443917215.db2.gz OJXJAUGETFGBHE-UHFFFAOYSA-N -1 1 340.431 2.588 20 30 EFEDMM Cc1cc(N[C@@H](C)CC#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737274630 1443928382 /nfs/dbraw/zinc/92/83/82/1443928382.db2.gz PMFSVNLYBWYLGL-NSHDSACASA-N -1 1 332.371 2.690 20 30 EFEDMM CC(C)(C#N)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824058915 1443976867 /nfs/dbraw/zinc/97/68/67/1443976867.db2.gz ITTYGLGEUMQJKW-UHFFFAOYSA-N -1 1 346.394 2.700 20 30 EFEDMM C#Cc1ccccc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000823861223 1444009005 /nfs/dbraw/zinc/00/90/05/1444009005.db2.gz ACEUEJWCAIQEBV-UHFFFAOYSA-N -1 1 335.371 2.796 20 30 EFEDMM N#Cc1ccc2c(c1)CCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822837688 1444029180 /nfs/dbraw/zinc/02/91/80/1444029180.db2.gz RYRSCQXKDDZQDV-UHFFFAOYSA-N -1 1 343.394 2.569 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccnc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826191004 1446080180 /nfs/dbraw/zinc/08/01/80/1446080180.db2.gz UHEVPOMNVQJTNI-DUXPYHPUSA-N -1 1 341.758 2.820 20 30 EFEDMM CN(Cc1cccc(-c2nn[n-]n2)c1)c1cc(C#N)c2ccccc2n1 ZINC000736823288 1446080321 /nfs/dbraw/zinc/08/03/21/1446080321.db2.gz VAURWAVOHSSDNA-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826385583 1446188889 /nfs/dbraw/zinc/18/88/89/1446188889.db2.gz SHPSDVNLSBIQSL-UHFFFAOYSA-N -1 1 341.737 2.977 20 30 EFEDMM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825875830 1446191302 /nfs/dbraw/zinc/19/13/02/1446191302.db2.gz ZAELSIBHLHMMTA-JXMROGBWSA-N -1 1 337.358 2.968 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)OCC ZINC000823872672 1446228035 /nfs/dbraw/zinc/22/80/35/1446228035.db2.gz CKWSOAHRDGLOCP-ZDUSSCGKSA-N -1 1 335.795 2.830 20 30 EFEDMM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823961865 1446327336 /nfs/dbraw/zinc/32/73/36/1446327336.db2.gz AMVUPKJDWYXBKI-UHFFFAOYSA-N -1 1 348.345 2.785 20 30 EFEDMM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821838435 1446345164 /nfs/dbraw/zinc/34/51/64/1446345164.db2.gz NKFVXWMBGNVTJX-XQRVVYSFSA-N -1 1 342.380 2.842 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cccc(C#N)c1F ZINC000825609368 1446356640 /nfs/dbraw/zinc/35/66/40/1446356640.db2.gz LKMUSTNILJCJRT-UHFFFAOYSA-N -1 1 339.330 2.855 20 30 EFEDMM C=CCC[C@@H](OC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894892 1446529796 /nfs/dbraw/zinc/52/97/96/1446529796.db2.gz ZDVZRWKRNGDEEN-MLGOLLRUSA-N -1 1 342.399 2.922 20 30 EFEDMM C[C@@](C#N)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000819844378 1446622125 /nfs/dbraw/zinc/62/21/25/1446622125.db2.gz FPNZPFGXYRMFLO-HNNXBMFYSA-N -1 1 330.417 2.521 20 30 EFEDMM Fc1ccc2c(c1)C(=NNc1ccc(-c3nnn[n-]3)c(Cl)c1)CO2 ZINC000826375797 1446758290 /nfs/dbraw/zinc/75/82/90/1446758290.db2.gz BVQUFTCHOZNNPB-UHFFFAOYSA-N -1 1 344.737 2.868 20 30 EFEDMM N#CCc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382710 1446761349 /nfs/dbraw/zinc/76/13/49/1446761349.db2.gz RLEWKQHYYKPDLV-KTKRTIGZSA-N -1 1 345.362 2.689 20 30 EFEDMM N#CCN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)C1CCCC1 ZINC000822811132 1446810384 /nfs/dbraw/zinc/81/03/84/1446810384.db2.gz SWLUFGNDBAZWRE-UHFFFAOYSA-N -1 1 348.357 2.736 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)OCC ZINC000823873311 1446821052 /nfs/dbraw/zinc/82/10/52/1446821052.db2.gz KZTMNCLIDQDIFG-HNNXBMFYSA-N -1 1 345.403 2.575 20 30 EFEDMM CC(C)(C#N)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824059466 1447054275 /nfs/dbraw/zinc/05/42/75/1447054275.db2.gz WLUMBZMBACPBGO-UHFFFAOYSA-N -1 1 343.387 2.509 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737372659 1447076119 /nfs/dbraw/zinc/07/61/19/1447076119.db2.gz HKRRKXRKAMOCSE-WEVVVXLNSA-N -1 1 335.323 2.979 20 30 EFEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2ccc(F)cc21 ZINC000823505026 1447138420 /nfs/dbraw/zinc/13/84/20/1447138420.db2.gz XBPAGWRFUWJSIP-BAQGIRSFSA-N -1 1 328.328 2.726 20 30 EFEDMM COc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821778101 1447245508 /nfs/dbraw/zinc/24/55/08/1447245508.db2.gz UEPXEWBABAOKNQ-UHFFFAOYSA-N -1 1 340.362 2.528 20 30 EFEDMM Cc1nnc(SCc2ccc(CC#N)cc2)c(-c2nnn[n-]2)c1C ZINC000826337142 1447263381 /nfs/dbraw/zinc/26/33/81/1447263381.db2.gz DFVDNBLQIIUXQL-UHFFFAOYSA-N -1 1 337.412 2.632 20 30 EFEDMM Cc1ccc(-c2nnn[n-]2)cc1OCc1cn2ccccc2c1C#N ZINC000822221110 1447309867 /nfs/dbraw/zinc/30/98/67/1447309867.db2.gz AHCIKQBMVGYGQK-UHFFFAOYSA-N -1 1 330.351 2.879 20 30 EFEDMM C=CCCOCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823899423 1447331789 /nfs/dbraw/zinc/33/17/89/1447331789.db2.gz VUGBFAVYRJPEJP-UHFFFAOYSA-N -1 1 329.404 2.877 20 30 EFEDMM Clc1cc(N=NCc2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000826351471 1447334429 /nfs/dbraw/zinc/33/44/29/1447334429.db2.gz NSNAENKCBSNDHW-UHFFFAOYSA-N -1 1 338.762 2.614 20 30 EFEDMM C=CCN(CCc1ccco1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823904090 1447342968 /nfs/dbraw/zinc/34/29/68/1447342968.db2.gz UTCABTLDFQWMCV-MDZDMXLPSA-N -1 1 349.394 2.730 20 30 EFEDMM N#Cc1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822823267 1449026728 /nfs/dbraw/zinc/02/67/28/1449026728.db2.gz OATJKUABBQPLKN-UHFFFAOYSA-N -1 1 338.346 2.758 20 30 EFEDMM C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380584 1449102184 /nfs/dbraw/zinc/10/21/84/1449102184.db2.gz WQHJIRJETSNFKQ-GFCCVEGCSA-N -1 1 347.382 2.815 20 30 EFEDMM C[C@@H](C#N)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735503712 1449176976 /nfs/dbraw/zinc/17/69/76/1449176976.db2.gz LOKJRVXJUJLVDZ-LBPRGKRZSA-N -1 1 333.355 2.604 20 30 EFEDMM CC(C)(CCC#N)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824152989 1449178958 /nfs/dbraw/zinc/17/89/58/1449178958.db2.gz WUCHYZSIDZMBNP-MRXNPFEDSA-N -1 1 340.431 2.570 20 30 EFEDMM C#Cc1cccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000823861325 1449231132 /nfs/dbraw/zinc/23/11/32/1449231132.db2.gz DRLBQIYZGFVIIP-UHFFFAOYSA-N -1 1 346.419 2.608 20 30 EFEDMM COc1ccc2oc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826213938 1449295650 /nfs/dbraw/zinc/29/56/50/1449295650.db2.gz SRJBVTCACPCHCW-UHFFFAOYSA-N -1 1 348.366 2.745 20 30 EFEDMM C[C@@H](C#N)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824034795 1449391099 /nfs/dbraw/zinc/39/10/99/1449391099.db2.gz PGINZVVYMVZBHA-LBPRGKRZSA-N -1 1 348.366 2.548 20 30 EFEDMM CN(Cc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2cc1C#N ZINC000821613585 1449484065 /nfs/dbraw/zinc/48/40/65/1449484065.db2.gz TWUWUZCETIODSC-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM N#Cc1ccc(F)cc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822829851 1449575930 /nfs/dbraw/zinc/57/59/30/1449575930.db2.gz MAPFKLBIWMTOCT-SOFGYWHQSA-N -1 1 349.325 2.634 20 30 EFEDMM C#C[C@H](C)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819689107 1449616970 /nfs/dbraw/zinc/61/69/70/1449616970.db2.gz UTMAXKXIQSJERI-ZDUSSCGKSA-N -1 1 348.362 2.624 20 30 EFEDMM CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000820832585 1449668819 /nfs/dbraw/zinc/66/88/19/1449668819.db2.gz LWBKJYKGWPRXMX-UHFFFAOYSA-N -1 1 333.302 2.668 20 30 EFEDMM C=C(Cl)CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819729090 1449699604 /nfs/dbraw/zinc/69/96/04/1449699604.db2.gz BTVUYLHTZINSTR-UHFFFAOYSA-N -1 1 336.783 2.528 20 30 EFEDMM C=C[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729015 1449727250 /nfs/dbraw/zinc/72/72/50/1449727250.db2.gz AGBPATAOXBWKMU-LBPRGKRZSA-N -1 1 334.383 2.915 20 30 EFEDMM CCOc1ccc(C=NCc2ccc(-c3nnn[n-]3)cc2F)c(O)c1 ZINC000736642989 1449764821 /nfs/dbraw/zinc/76/48/21/1449764821.db2.gz BEAGONYVIFKHMS-VXLYETTFSA-N -1 1 341.346 2.729 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822924126 1449775733 /nfs/dbraw/zinc/77/57/33/1449775733.db2.gz YBCLOLIHOOZVES-YVMONPNESA-N -1 1 339.286 2.810 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819722198 1449776416 /nfs/dbraw/zinc/77/64/16/1449776416.db2.gz BXDVIUULUUJPLJ-LBPRGKRZSA-N -1 1 331.445 2.772 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821768990 1449800275 /nfs/dbraw/zinc/80/02/75/1449800275.db2.gz CARLUVUHTBBIRK-ONEGZZNKSA-N -1 1 330.344 2.972 20 30 EFEDMM C#Cc1ccccc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000823861393 1449811692 /nfs/dbraw/zinc/81/16/92/1449811692.db2.gz GNOOTQCQMYWVMW-UHFFFAOYSA-N -1 1 349.398 2.970 20 30 EFEDMM N#Cc1cccc(Oc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000826387262 1449984840 /nfs/dbraw/zinc/98/48/40/1449984840.db2.gz MRSNJDMRGOIADX-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCC(C)(C)CCC#N)o1 ZINC000824152786 1450054815 /nfs/dbraw/zinc/05/48/15/1450054815.db2.gz MXXHSNHTZDJBJL-UHFFFAOYSA-N -1 1 330.396 2.880 20 30 EFEDMM C=C(C)[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)OCC ZINC000823874135 1450079205 /nfs/dbraw/zinc/07/92/05/1450079205.db2.gz TWWFVRIXNGUDKG-CQSZACIVSA-N -1 1 349.822 2.854 20 30 EFEDMM N#Cc1cc2c(nc1NCc1cc(-c3nnn[n-]3)ccc1F)CCCC2 ZINC000826384533 1450246156 /nfs/dbraw/zinc/24/61/56/1450246156.db2.gz ZBXHRDHJHFVGEY-UHFFFAOYSA-N -1 1 349.373 2.763 20 30 EFEDMM CC(C)c1ncc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000824364365 1450309762 /nfs/dbraw/zinc/30/97/62/1450309762.db2.gz CLZXGQQVHGYTIV-UHFFFAOYSA-N -1 1 348.823 2.941 20 30 EFEDMM N#Cc1ccc(OCCCOc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822833810 1450329638 /nfs/dbraw/zinc/32/96/38/1450329638.db2.gz VYAYIAVBCODWEN-UHFFFAOYSA-N -1 1 339.330 2.725 20 30 EFEDMM CCNc1ccc(C#N)cc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825480735 1450360213 /nfs/dbraw/zinc/36/02/13/1450360213.db2.gz IGDSYYKGPIWHLQ-UHFFFAOYSA-N -1 1 349.398 2.791 20 30 EFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1 ZINC000255368797 714838745 /nfs/dbraw/zinc/83/87/45/714838745.db2.gz LDSFVDXRVGHDKZ-IYKSTZQJSA-N -1 1 349.180 2.986 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2C)c(=O)o1 ZINC000255464320 715253788 /nfs/dbraw/zinc/25/37/88/715253788.db2.gz UALCIOBKCWSNIS-VOKGJARPSA-N -1 1 349.180 2.986 20 30 EFEDMM C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000975872329 716020559 /nfs/dbraw/zinc/02/05/59/716020559.db2.gz AEFHDIHDGLDUFJ-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM CCN(C(C)=O)c1nc(/C=C\C(=O)c2cc(O)ccc2[O-])cs1 ZINC000255604962 716987655 /nfs/dbraw/zinc/98/76/55/716987655.db2.gz QGZVHGQYLOYFOK-XQRVVYSFSA-N -1 1 332.381 2.823 20 30 EFEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000176904672 717011239 /nfs/dbraw/zinc/01/12/39/717011239.db2.gz PPQAQTMXFXABJO-MBVDDHJVSA-N -1 1 336.290 2.825 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2Br)c(=O)o1 ZINC000794689694 723831835 /nfs/dbraw/zinc/83/18/35/723831835.db2.gz CPLAQDSAUMKFOD-QAVQXKDTSA-N -1 1 341.182 2.739 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C#N)c2)cc1 ZINC000023416529 718165007 /nfs/dbraw/zinc/16/50/07/718165007.db2.gz OCWRDMAGWYIGGA-ZDUSSCGKSA-N -1 1 344.392 2.865 20 30 EFEDMM C[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000023417625 718166964 /nfs/dbraw/zinc/16/69/64/718166964.db2.gz MHIRMPNDBFAOGD-GFCCVEGCSA-N -1 1 330.365 2.556 20 30 EFEDMM C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001025224728 718439100 /nfs/dbraw/zinc/43/91/00/718439100.db2.gz UTSBRUKAHREURM-HUUCEWRRSA-N -1 1 349.862 2.999 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(F)c2)c(=O)o1 ZINC000162539771 720654109 /nfs/dbraw/zinc/65/41/09/720654109.db2.gz UPZULCNWSKEOLI-PMUGQKEBSA-N -1 1 340.253 2.655 20 30 EFEDMM C=CCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000728869119 724845352 /nfs/dbraw/zinc/84/53/52/724845352.db2.gz WLJPVFQIFODSJE-UHFFFAOYSA-N -1 1 326.400 2.518 20 30 EFEDMM C#CC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000881889090 723264633 /nfs/dbraw/zinc/26/46/33/723264633.db2.gz QPUBQAOZCTWOOV-UHFFFAOYSA-N -1 1 337.184 2.592 20 30 EFEDMM C=C(Br)CNC(=O)c1cc(Br)ccc1[O-] ZINC000049297388 723279700 /nfs/dbraw/zinc/27/97/00/723279700.db2.gz CRWCMHWTDKAYMO-UHFFFAOYSA-N -1 1 334.995 2.793 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007428303 723594931 /nfs/dbraw/zinc/59/49/31/723594931.db2.gz BKRHNLZZJVTBQD-UHFFFAOYSA-N -1 1 337.744 2.921 20 30 EFEDMM COc1cc(/C=C\C(=O)c2ccc(O)c(F)c2)ccc1OCC(=O)[O-] ZINC000728442078 724023734 /nfs/dbraw/zinc/02/37/34/724023734.db2.gz VLXFGDVOMDSSDX-DJWKRKHSSA-N -1 1 346.310 2.899 20 30 EFEDMM [O-]c1ccc(C=NNC(=S)NCC2CCC2)cc1Br ZINC000727653610 724290933 /nfs/dbraw/zinc/29/09/33/724290933.db2.gz SQJQLTPUFBECRT-UHFFFAOYSA-N -1 1 342.262 2.753 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2csc(COc3ccccc3)n2)n1 ZINC000918709095 728913491 /nfs/dbraw/zinc/91/34/91/728913491.db2.gz VDWGQNVBVMZNBA-UHFFFAOYSA-N -1 1 341.396 2.972 20 30 EFEDMM O=c1nc(NN=Cc2cc(-c3ccccc3)cs2)nc2[nH][n-]cc1-2 ZINC000731158021 726813528 /nfs/dbraw/zinc/81/35/28/726813528.db2.gz YDNWKWQRTHOSSV-UHFFFAOYSA-N -1 1 336.380 2.607 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000906992248 726841738 /nfs/dbraw/zinc/84/17/38/726841738.db2.gz SPPCUEFYXPLGKD-HKUYNNGSSA-N -1 1 343.423 2.795 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000907757300 727009301 /nfs/dbraw/zinc/00/93/01/727009301.db2.gz DBUAIHBCWDWLIG-FZMZJTMJSA-N -1 1 340.217 2.752 20 30 EFEDMM CCCCCCCCC/C=C/C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907943300 727058896 /nfs/dbraw/zinc/05/88/96/727058896.db2.gz HBOBLLZGTZKFFC-ZHACJKMWSA-N -1 1 349.479 2.707 20 30 EFEDMM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2nc(C(F)F)[nH]c2c1 ZINC000732496361 727125845 /nfs/dbraw/zinc/12/58/45/727125845.db2.gz SGFDNIFNRLSCSS-LLVKDONJSA-N -1 1 346.337 2.882 20 30 EFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000130412929 727215834 /nfs/dbraw/zinc/21/58/34/727215834.db2.gz SXNCDDOETNJNAZ-AWEZNQCLSA-N -1 1 340.335 2.726 20 30 EFEDMM O=[N+]([O-])c1ccc(N=NCc2cccc(Br)c2[O-])nc1 ZINC000915969665 727643784 /nfs/dbraw/zinc/64/37/84/727643784.db2.gz VFLLXDGDNWJESA-UHFFFAOYSA-N -1 1 337.133 2.904 20 30 EFEDMM CCCC(=O)Nc1ccc(O)c(C(C)=NNc2nc(C)cc(=O)[n-]2)c1 ZINC000916241482 727668562 /nfs/dbraw/zinc/66/85/62/727668562.db2.gz DUPLUGQSFVENEH-UHFFFAOYSA-N -1 1 343.387 2.771 20 30 EFEDMM CCCCCCCC[C@H](C)CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494794 727849640 /nfs/dbraw/zinc/84/96/40/727849640.db2.gz CTDUSWOSPXGPAC-LSDHHAIUSA-N -1 1 337.468 2.876 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2C)c(=O)o1 ZINC000164779265 727980128 /nfs/dbraw/zinc/98/01/28/727980128.db2.gz UALCIOBKCWSNIS-CSPWOOARSA-N -1 1 349.180 2.986 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(C)c2)c(=O)o1 ZINC000173956310 728642919 /nfs/dbraw/zinc/64/29/19/728642919.db2.gz DIZRHGQAXXXNND-CSPWOOARSA-N -1 1 349.180 2.986 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000174455992 728665931 /nfs/dbraw/zinc/66/59/31/728665931.db2.gz XNTZIGLQYYGKPJ-GFCCVEGCSA-N -1 1 347.367 2.805 20 30 EFEDMM C#C[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000174455983 728665937 /nfs/dbraw/zinc/66/59/37/728665937.db2.gz XNTZIGLQYYGKPJ-LBPRGKRZSA-N -1 1 347.367 2.805 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000174471419 728666915 /nfs/dbraw/zinc/66/69/15/728666915.db2.gz HMCVZTYCVJGKTN-CYBMUJFWSA-N -1 1 329.377 2.666 20 30 EFEDMM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(Cl)c2)C1=O ZINC000921256199 729279431 /nfs/dbraw/zinc/27/94/31/729279431.db2.gz JSVDCDUIHWPLJE-KRWDZBQOSA-N -1 1 343.770 2.847 20 30 EFEDMM CC(C)Oc1cccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000921257620 729279458 /nfs/dbraw/zinc/27/94/58/729279458.db2.gz KJUIUQDLBDESTG-UHFFFAOYSA-N -1 1 343.408 2.546 20 30 EFEDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(C#N)ccc2Br)C1 ZINC001589280935 953512166 /nfs/dbraw/zinc/51/21/66/953512166.db2.gz OKLRVHNWBGXNTM-GXFFZTMASA-N -1 1 337.217 2.863 20 30 EFEDMM N#Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1Cl ZINC000037417095 957282890 /nfs/dbraw/zinc/28/28/90/957282890.db2.gz JNQZDEYGGWWCLU-UHFFFAOYSA-N -1 1 342.785 2.772 20 30 EFEDMM C#CCN(CCCCOc1cccc(C(F)(F)F)c1)CC(=O)[O-] ZINC001588432383 958280078 /nfs/dbraw/zinc/28/00/78/958280078.db2.gz PKJURVCTCBVPTH-UHFFFAOYSA-N -1 1 329.318 2.884 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC001140503267 960501541 /nfs/dbraw/zinc/50/15/41/960501541.db2.gz SGZACUWKAAIATA-UHFFFAOYSA-N -1 1 339.370 2.718 20 30 EFEDMM C=CCO[C@@H]1CCN(Cc2c(Br)cccc2C(=O)[O-])C1 ZINC001327336053 961153662 /nfs/dbraw/zinc/15/36/62/961153662.db2.gz DAPWXBMEOUFWSV-LLVKDONJSA-N -1 1 340.217 2.924 20 30 EFEDMM C=CCCC(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1 ZINC001573353035 962996099 /nfs/dbraw/zinc/99/60/99/962996099.db2.gz OFSZWMIFYCJZPB-UHFFFAOYSA-N -1 1 338.161 2.928 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001603369219 972893034 /nfs/dbraw/zinc/89/30/34/972893034.db2.gz XLOAQCGGDJZUOL-WZRBSPASSA-N -1 1 349.818 2.581 20 30 EFEDMM CC(N=Nc1ccccc1S(C)(=O)=O)c1cc(C(=O)[O-])cs1 ZINC000814846098 978892634 /nfs/dbraw/zinc/89/26/34/978892634.db2.gz GLVKHKNSPMCQJS-UHFFFAOYSA-N -1 1 338.410 2.686 20 30 EFEDMM CC1(C)CC(=NNc2ccc(C(=O)[O-])cn2)c2cc(O)ccc2O1 ZINC000814890184 978896955 /nfs/dbraw/zinc/89/69/55/978896955.db2.gz JNQSHNCUBNSQEN-UHFFFAOYSA-N -1 1 327.340 2.863 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc2n(n1)CCCC2 ZINC000842530095 979317491 /nfs/dbraw/zinc/31/74/91/979317491.db2.gz GOQRSBMEUUATCN-UHFFFAOYSA-N -1 1 328.372 2.762 20 30 EFEDMM C=CCOC[C@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000901809736 980530614 /nfs/dbraw/zinc/53/06/14/980530614.db2.gz GZHXITCTVDOJJW-LBPRGKRZSA-N -1 1 348.624 2.848 20 30 EFEDMM C=C(Br)CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000905400804 981116563 /nfs/dbraw/zinc/11/65/63/981116563.db2.gz NUKBJJYUPLYFOC-NSHDSACASA-N -1 1 334.597 2.973 20 30 EFEDMM CC[C@](C)(C(=O)[O-])N(CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC001594778575 981778345 /nfs/dbraw/zinc/77/83/45/981778345.db2.gz VXILGUFTXWSXBV-GOSISDBHSA-N -1 1 349.475 2.637 20 30 EFEDMM C#CCCOc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001588458601 983483539 /nfs/dbraw/zinc/48/35/39/983483539.db2.gz PWULXVHMDQUROH-UHFFFAOYSA-N -1 1 349.346 2.916 20 30 EFEDMM C=CC[C@H](C(=O)[O-])N1CCOc2ccc(Br)cc2C1 ZINC001588732228 984015808 /nfs/dbraw/zinc/01/58/08/984015808.db2.gz WUESJBRSPZQUDV-GFCCVEGCSA-N -1 1 326.190 2.673 20 30 EFEDMM C=CCC[C@@H](C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)c1ccccc1 ZINC001588777222 984155401 /nfs/dbraw/zinc/15/54/01/984155401.db2.gz XNCWITFBJZRFCJ-SJLPKXTDSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCC[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001588777179 984155608 /nfs/dbraw/zinc/15/56/08/984155608.db2.gz VONWDTWUDQMRDP-SJLPKXTDSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCCC[N@H+](CC)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001588801446 984245662 /nfs/dbraw/zinc/24/56/62/984245662.db2.gz MDBWOOQZLDRRME-UHFFFAOYSA-N -1 1 335.429 2.779 20 30 EFEDMM C=CCCCN(CC)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001588801446 984245669 /nfs/dbraw/zinc/24/56/69/984245669.db2.gz MDBWOOQZLDRRME-UHFFFAOYSA-N -1 1 335.429 2.779 20 30 EFEDMM C[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@H]1C(=O)[O-] ZINC001599929709 985287591 /nfs/dbraw/zinc/28/75/91/985287591.db2.gz JOGBARQWXVYWPM-GXFFZTMASA-N -1 1 337.217 2.863 20 30 EFEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC001594501119 985684342 /nfs/dbraw/zinc/68/43/42/985684342.db2.gz LXJKFGZGMJZINQ-DDTOSNHZSA-N -1 1 342.317 2.726 20 30 EFEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC001594502933 985694269 /nfs/dbraw/zinc/69/42/69/985694269.db2.gz VJPATBGSWRXKLQ-DDTOSNHZSA-N -1 1 342.317 2.726 20 30 EFEDMM CC(C)(NCCCOc1cccc(C#N)c1)c1cc(C(=O)[O-])on1 ZINC001590870058 990768263 /nfs/dbraw/zinc/76/82/63/990768263.db2.gz BZSWIVQZMXMVFV-UHFFFAOYSA-N -1 1 329.356 2.538 20 30 EFEDMM CN(CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)CC(=O)[O-] ZINC001598420048 991756703 /nfs/dbraw/zinc/75/67/03/991756703.db2.gz SITYHDJWJGOQJY-UHFFFAOYSA-N -1 1 341.411 2.923 20 30 EFEDMM COC(=O)C(C)(C)[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001598682773 994955989 /nfs/dbraw/zinc/95/59/89/994955989.db2.gz GEGLBRDNRZBHRK-AWEZNQCLSA-N -1 1 344.411 2.668 20 30 EFEDMM COCc1ccccc1/C=C(\C)CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001599298037 997181990 /nfs/dbraw/zinc/18/19/90/997181990.db2.gz UCAYSHPNNSRNEQ-RVDMUPIBSA-N -1 1 328.412 2.927 20 30 EFEDMM COc1cc(CN=Nc2cccc(F)c2C(=O)[O-])ccc1OCC#N ZINC001599400064 997198439 /nfs/dbraw/zinc/19/84/39/997198439.db2.gz MQYIHHPHGQPWQK-UHFFFAOYSA-N -1 1 343.314 2.881 20 30 EFEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1OC ZINC001647099206 1088905276 /nfs/dbraw/zinc/90/52/76/1088905276.db2.gz XOXZTXAMLOZQOG-UHFFFAOYSA-N -1 1 346.408 2.961 20 30 EFEDMM N#CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001647197163 1089070564 /nfs/dbraw/zinc/07/05/64/1089070564.db2.gz FPRPXHWOIYIIQS-UHFFFAOYSA-N -1 1 345.302 2.737 20 30 EFEDMM N#Cc1ccc([O-])c(NC(=O)[C@@H](N)c2ccc(Br)cc2)c1 ZINC001580071256 1090763407 /nfs/dbraw/zinc/76/34/07/1090763407.db2.gz AYRLFBIKBBJVOU-AWEZNQCLSA-N -1 1 346.184 2.665 20 30 EFEDMM C[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001580311776 1090858774 /nfs/dbraw/zinc/85/87/74/1090858774.db2.gz KLOVRWBVFSQWIG-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001580311776 1090858778 /nfs/dbraw/zinc/85/87/78/1090858778.db2.gz KLOVRWBVFSQWIG-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM N#CCc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)cc1 ZINC001581859678 1091322558 /nfs/dbraw/zinc/32/25/58/1091322558.db2.gz PJYIGKVJELNPJV-UHFFFAOYSA-N -1 1 343.350 2.666 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001581874538 1091329391 /nfs/dbraw/zinc/32/93/91/1091329391.db2.gz VTOQNKKJRWKGSX-JTQLQIEISA-N -1 1 343.803 2.948 20 30 EFEDMM C#CCSc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001588363960 1092930778 /nfs/dbraw/zinc/93/07/78/1092930778.db2.gz LBMFVXSHNHJFNJ-UHFFFAOYSA-N -1 1 340.364 2.542 20 30 EFEDMM C=C(C)[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc(F)c(F)c1 ZINC001588400712 1092939746 /nfs/dbraw/zinc/93/97/46/1092939746.db2.gz DVUDABXQWDWLNI-CQSZACIVSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C(C)[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc(F)c(F)c1 ZINC001588400712 1092939753 /nfs/dbraw/zinc/93/97/53/1092939753.db2.gz DVUDABXQWDWLNI-CQSZACIVSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588518502 1092952081 /nfs/dbraw/zinc/95/20/81/1092952081.db2.gz DSRFPCQYTQMMKM-LBPRGKRZSA-N -1 1 339.424 2.904 20 30 EFEDMM C=CC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588539611 1092956247 /nfs/dbraw/zinc/95/62/47/1092956247.db2.gz RIAWLGOKVALBKJ-SNVBAGLBSA-N -1 1 327.344 2.680 20 30 EFEDMM C=CC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588539611 1092956257 /nfs/dbraw/zinc/95/62/57/1092956257.db2.gz RIAWLGOKVALBKJ-SNVBAGLBSA-N -1 1 327.344 2.680 20 30 EFEDMM C=CCC1(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CCCC1 ZINC001588551876 1092957797 /nfs/dbraw/zinc/95/77/97/1092957797.db2.gz KEVMBOKSCRTXFK-UHFFFAOYSA-N -1 1 338.415 2.677 20 30 EFEDMM C=CCC1(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CCCC1 ZINC001588551876 1092957801 /nfs/dbraw/zinc/95/78/01/1092957801.db2.gz KEVMBOKSCRTXFK-UHFFFAOYSA-N -1 1 338.415 2.677 20 30 EFEDMM C=CCCCCCCCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588594611 1092966304 /nfs/dbraw/zinc/96/63/04/1092966304.db2.gz XWEULYPOZKCLGY-UHFFFAOYSA-N -1 1 329.408 2.910 20 30 EFEDMM C=CCCCCCCCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588594611 1092966312 /nfs/dbraw/zinc/96/63/12/1092966312.db2.gz XWEULYPOZKCLGY-UHFFFAOYSA-N -1 1 329.408 2.910 20 30 EFEDMM C=CCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588596325 1092968314 /nfs/dbraw/zinc/96/83/14/1092968314.db2.gz NXTQWVSEQANGBP-UHFFFAOYSA-N -1 1 340.387 2.645 20 30 EFEDMM C=CCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588596325 1092968323 /nfs/dbraw/zinc/96/83/23/1092968323.db2.gz NXTQWVSEQANGBP-UHFFFAOYSA-N -1 1 340.387 2.645 20 30 EFEDMM C=CC[N@H+](Cc1csc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588652301 1092976585 /nfs/dbraw/zinc/97/65/85/1092976585.db2.gz SAACYXHQIHFHNQ-UHFFFAOYSA-N -1 1 336.424 2.988 20 30 EFEDMM C=CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001588653722 1092976807 /nfs/dbraw/zinc/97/68/07/1092976807.db2.gz VVKOHEQPZIUGLN-UHFFFAOYSA-N -1 1 336.355 2.968 20 30 EFEDMM Cc1nc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cs1 ZINC001588781157 1092992939 /nfs/dbraw/zinc/99/29/39/1092992939.db2.gz ITAIDFHWNOXZIR-UHFFFAOYSA-N -1 1 346.420 2.753 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CC2(Cl)Cl)o1 ZINC001589773888 1093143461 /nfs/dbraw/zinc/14/34/61/1093143461.db2.gz PZSQHEUNXDCZPR-LURJTMIESA-N -1 1 330.179 2.570 20 30 EFEDMM C[C@@H](NN=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)C(F)(F)F ZINC001589977354 1093205531 /nfs/dbraw/zinc/20/55/31/1093205531.db2.gz VKKGNCARMIWAPH-RXMQYKEDSA-N -1 1 336.680 2.534 20 30 EFEDMM C[C@@H](NN=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)C(F)(F)F ZINC001589977354 1093205538 /nfs/dbraw/zinc/20/55/38/1093205538.db2.gz VKKGNCARMIWAPH-RXMQYKEDSA-N -1 1 336.680 2.534 20 30 EFEDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589983224 1093208608 /nfs/dbraw/zinc/20/86/08/1093208608.db2.gz CHQNQRVLEPIGGV-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589983224 1093208616 /nfs/dbraw/zinc/20/86/16/1093208616.db2.gz CHQNQRVLEPIGGV-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2cc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001590367853 1093393105 /nfs/dbraw/zinc/39/31/05/1093393105.db2.gz KOYQFLMWBCAMKT-CQSZACIVSA-N -1 1 349.398 2.863 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2cc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001590367853 1093393114 /nfs/dbraw/zinc/39/31/14/1093393114.db2.gz KOYQFLMWBCAMKT-CQSZACIVSA-N -1 1 349.398 2.863 20 30 EFEDMM CCCOc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC001590645159 1093527843 /nfs/dbraw/zinc/52/78/43/1093527843.db2.gz WGFJDGUJHOBQCB-UHFFFAOYSA-N -1 1 341.375 2.788 20 30 EFEDMM CCSCc1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001590853532 1093600803 /nfs/dbraw/zinc/60/08/03/1093600803.db2.gz IHISTDPBNNTJTH-UHFFFAOYSA-N -1 1 338.400 2.525 20 30 EFEDMM CCSCc1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001590853532 1093600808 /nfs/dbraw/zinc/60/08/08/1093600808.db2.gz IHISTDPBNNTJTH-UHFFFAOYSA-N -1 1 338.400 2.525 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(C)c(F)c1 ZINC001590868774 1093608173 /nfs/dbraw/zinc/60/81/73/1093608173.db2.gz ICCOXTIKOJIIHK-LBPRGKRZSA-N -1 1 338.350 2.539 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(C)c(F)c1 ZINC001590868774 1093608179 /nfs/dbraw/zinc/60/81/79/1093608179.db2.gz ICCOXTIKOJIIHK-LBPRGKRZSA-N -1 1 338.350 2.539 20 30 EFEDMM CCn1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)cn1 ZINC001590949690 1093639211 /nfs/dbraw/zinc/63/92/11/1093639211.db2.gz LQRHPOGXVOXIQJ-XQRVVYSFSA-N -1 1 346.753 2.772 20 30 EFEDMM CCn1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)cn1 ZINC001590949690 1093639215 /nfs/dbraw/zinc/63/92/15/1093639215.db2.gz LQRHPOGXVOXIQJ-XQRVVYSFSA-N -1 1 346.753 2.772 20 30 EFEDMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001591771345 1093855326 /nfs/dbraw/zinc/85/53/26/1093855326.db2.gz RAHSYPCZJLFPDQ-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001591771345 1093855327 /nfs/dbraw/zinc/85/53/27/1093855327.db2.gz RAHSYPCZJLFPDQ-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cs1 ZINC001591958967 1093932706 /nfs/dbraw/zinc/93/27/06/1093932706.db2.gz VLDWNEBTBVKFAO-UHFFFAOYSA-N -1 1 331.405 2.968 20 30 EFEDMM Cc1ccc(Cl)c(Sc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001592170653 1094014665 /nfs/dbraw/zinc/01/46/65/1094014665.db2.gz OBXWOACUZPMMAW-UHFFFAOYSA-N -1 1 329.776 2.641 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CSCCC#N)c1-c1nn[n-]n1 ZINC001592426586 1094103490 /nfs/dbraw/zinc/10/34/90/1094103490.db2.gz UASZEULOQUVNLE-UHFFFAOYSA-N -1 1 325.401 2.508 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(c1cccc(C#N)c1)C1CCC1 ZINC001592496362 1094112674 /nfs/dbraw/zinc/11/26/74/1094112674.db2.gz DMTBDDZJRZYQMR-UHFFFAOYSA-N -1 1 348.366 2.839 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(c1cccc(C#N)c1)C1CCC1 ZINC001592496362 1094112677 /nfs/dbraw/zinc/11/26/77/1094112677.db2.gz DMTBDDZJRZYQMR-UHFFFAOYSA-N -1 1 348.366 2.839 20 30 EFEDMM N#C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001592669280 1094172949 /nfs/dbraw/zinc/17/29/49/1094172949.db2.gz NPLMZVXPUSUQCE-NSHDSACASA-N -1 1 344.787 2.576 20 30 EFEDMM N#C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001592669280 1094172952 /nfs/dbraw/zinc/17/29/52/1094172952.db2.gz NPLMZVXPUSUQCE-NSHDSACASA-N -1 1 344.787 2.576 20 30 EFEDMM N#Cc1ccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001592696442 1094180758 /nfs/dbraw/zinc/18/07/58/1094180758.db2.gz HVHDTTBWBOYIKJ-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM N#Cc1nc(N[C@@H](CC2CCC2)c2ccccc2)cnc1-c1nnn[n-]1 ZINC001592707913 1094182888 /nfs/dbraw/zinc/18/28/88/1094182888.db2.gz JXKRRWSNFQVTBT-AWEZNQCLSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1nc(N[C@@H](CC2CCC2)c2ccccc2)cnc1-c1nn[n-]n1 ZINC001592707913 1094182890 /nfs/dbraw/zinc/18/28/90/1094182890.db2.gz JXKRRWSNFQVTBT-AWEZNQCLSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1ncn(Cc2ccc(-c3ccccc3)cc2)c1-c1nn[n-]n1 ZINC001592710417 1094183299 /nfs/dbraw/zinc/18/32/99/1094183299.db2.gz YDQUYKUIDXBSST-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM N#Cc1ncc(Oc2cc(Cl)cc(Cl)c2)nc1-c1nn[n-]n1 ZINC001592708870 1094183516 /nfs/dbraw/zinc/18/35/16/1094183516.db2.gz WYHHIGMUMDXEGN-UHFFFAOYSA-N -1 1 334.126 2.627 20 30 EFEDMM N#Cc1nc(NC2CCC3(CCCCC3)CC2)cnc1-c1nnn[n-]1 ZINC001592707999 1094183629 /nfs/dbraw/zinc/18/36/29/1094183629.db2.gz NUIMETRHSCGANZ-UHFFFAOYSA-N -1 1 338.419 2.833 20 30 EFEDMM N#Cc1nc(NC2CCC3(CCCCC3)CC2)cnc1-c1nn[n-]n1 ZINC001592707999 1094183631 /nfs/dbraw/zinc/18/36/31/1094183631.db2.gz NUIMETRHSCGANZ-UHFFFAOYSA-N -1 1 338.419 2.833 20 30 EFEDMM O=C1c2ccc(F)cc2OC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593381163 1094302854 /nfs/dbraw/zinc/30/28/54/1094302854.db2.gz XJABGWSAGWUYEF-AWNIVKPZSA-N -1 1 326.262 2.761 20 30 EFEDMM O=C1c2ccc(F)cc2OC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593381168 1094303028 /nfs/dbraw/zinc/30/30/28/1094303028.db2.gz XJABGWSAGWUYEF-MLPAPPSSSA-N -1 1 326.262 2.761 20 30 EFEDMM N#Cc1ccncc1C(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC001598006302 1094646527 /nfs/dbraw/zinc/64/65/27/1094646527.db2.gz MFZWWBWMTSOBDL-UHFFFAOYSA-N -1 1 339.355 2.787 20 30 EFEDMM Cc1cc(C#N)cc(C)c1CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600074666 1094753479 /nfs/dbraw/zinc/75/34/79/1094753479.db2.gz OIHZCOILUZOFPL-UHFFFAOYSA-N -1 1 348.362 2.931 20 30 EFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)Cc1ccccc1C(=O)[O-] ZINC001600908440 1095420275 /nfs/dbraw/zinc/42/02/75/1095420275.db2.gz BNNNEEZOEJCIQH-CQSZACIVSA-N -1 1 333.347 2.690 20 30 EFEDMM N#CC(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)=C(O)C1(c2ccccc2)CC1 ZINC001601046434 1095477907 /nfs/dbraw/zinc/47/79/07/1095477907.db2.gz UNXBHDLJRUDHBD-IIAWOOMASA-N -1 1 339.391 2.887 20 30 EFEDMM N#C[C@H](c1ccccc1)N1CCN(CCc2ccccc2C(=O)[O-])CC1 ZINC001601050156 1095479962 /nfs/dbraw/zinc/47/99/62/1095479962.db2.gz VMJRPTQGWATSEI-HXUWFJFHSA-N -1 1 349.434 2.810 20 30 EFEDMM N#CC1(c2ccccn2)CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001601057633 1095484921 /nfs/dbraw/zinc/48/49/21/1095484921.db2.gz BAXFODDHDLJXAK-UHFFFAOYSA-N -1 1 339.370 2.976 20 30 EFEDMM N#CCN(CCC(=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1O ZINC001601070723 1095489562 /nfs/dbraw/zinc/48/95/62/1095489562.db2.gz TVQLLGIZMSVMJV-UHFFFAOYSA-N -1 1 332.743 2.639 20 30 EFEDMM N#Cc1c(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cccc1C(=O)[O-] ZINC001601080859 1095495098 /nfs/dbraw/zinc/49/50/98/1095495098.db2.gz DVWPOZVPKKTJGV-CALCHBBNSA-N -1 1 347.418 2.825 20 30 EFEDMM N#Cc1ccc(C2(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)CC2)cc1 ZINC001601097560 1095509566 /nfs/dbraw/zinc/50/95/66/1095509566.db2.gz JLEXPLNQUUTMOU-UHFFFAOYSA-N -1 1 346.346 2.803 20 30 EFEDMM N#Cc1ccc(C2(NCC(=O)Nc3ccc(C(=O)[O-])cc3)CCC2)cc1 ZINC001601098260 1095510518 /nfs/dbraw/zinc/51/05/18/1095510518.db2.gz WDYMLFZLSDTPHM-UHFFFAOYSA-N -1 1 349.390 2.864 20 30 EFEDMM N#Cc1ccc(CN2CCN(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC001601100136 1095512153 /nfs/dbraw/zinc/51/21/53/1095512153.db2.gz IXPJIMUMWVYPKL-UHFFFAOYSA-N -1 1 335.407 2.574 20 30 EFEDMM N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001601124142 1095529002 /nfs/dbraw/zinc/52/90/02/1095529002.db2.gz DPEMWYZCPGQCFU-DZKIICNBSA-N -1 1 343.383 2.932 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc3c2OCC3)c(=O)o1 ZINC000782880832 1096196994 /nfs/dbraw/zinc/19/69/94/1096196994.db2.gz PAQHHCVNRALFOT-XYBNCVKDSA-N -1 1 332.739 2.503 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc3c2OCC3)c(=O)o1 ZINC000782880829 1096197518 /nfs/dbraw/zinc/19/75/18/1096197518.db2.gz PAQHHCVNRALFOT-GWQWAINWSA-N -1 1 332.739 2.503 20 30 EFEDMM O=C([O-])c1occc1C=NNc1ncnc2c1cnn2-c1ccccc1 ZINC001602587717 1096308618 /nfs/dbraw/zinc/30/86/18/1096308618.db2.gz CVVKSPBMNAIXLY-UHFFFAOYSA-N -1 1 348.322 2.553 20 30 EFEDMM C#C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001602689245 1096350712 /nfs/dbraw/zinc/35/07/12/1096350712.db2.gz POMGCQOXQRWFKR-LBPRGKRZSA-N -1 1 343.799 2.686 20 30 EFEDMM C#CC[C@H]1CCCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001602699496 1096353877 /nfs/dbraw/zinc/35/38/77/1096353877.db2.gz HKWAQJKAHQFMRC-JTQLQIEISA-N -1 1 336.321 2.520 20 30 EFEDMM C#CC[C@H]1CCCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001602699496 1096353883 /nfs/dbraw/zinc/35/38/83/1096353883.db2.gz HKWAQJKAHQFMRC-JTQLQIEISA-N -1 1 336.321 2.520 20 30 EFEDMM C=CCC[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602827266 1096378334 /nfs/dbraw/zinc/37/83/34/1096378334.db2.gz STLHZFIELLCHEY-MRXNPFEDSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCC[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602827266 1096378339 /nfs/dbraw/zinc/37/83/39/1096378339.db2.gz STLHZFIELLCHEY-MRXNPFEDSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001602833949 1096379061 /nfs/dbraw/zinc/37/90/61/1096379061.db2.gz YCJQQIABGXSVBD-AWEZNQCLSA-N -1 1 334.383 2.699 20 30 EFEDMM C=CCC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001602833949 1096379075 /nfs/dbraw/zinc/37/90/75/1096379075.db2.gz YCJQQIABGXSVBD-AWEZNQCLSA-N -1 1 334.383 2.699 20 30 EFEDMM C=CCC[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1 ZINC001602833176 1096379114 /nfs/dbraw/zinc/37/91/14/1096379114.db2.gz HJLFUZMKNSWPHN-ZDUSSCGKSA-N -1 1 332.371 2.648 20 30 EFEDMM C=CCC[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1 ZINC001602833176 1096379122 /nfs/dbraw/zinc/37/91/22/1096379122.db2.gz HJLFUZMKNSWPHN-ZDUSSCGKSA-N -1 1 332.371 2.648 20 30 EFEDMM C=CCC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001602833113 1096380010 /nfs/dbraw/zinc/38/00/10/1096380010.db2.gz DWAKGNKBBFVULH-MRXNPFEDSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001602833113 1096380017 /nfs/dbraw/zinc/38/00/17/1096380017.db2.gz DWAKGNKBBFVULH-MRXNPFEDSA-N -1 1 348.410 2.628 20 30 EFEDMM C=CCN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccc(OC)cc1 ZINC001602852484 1096386157 /nfs/dbraw/zinc/38/61/57/1096386157.db2.gz RIXSNDXYDMJBLS-UHFFFAOYSA-N -1 1 342.428 2.520 20 30 EFEDMM C=CCN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccc(OC)cc1 ZINC001602852484 1096386161 /nfs/dbraw/zinc/38/61/61/1096386161.db2.gz RIXSNDXYDMJBLS-UHFFFAOYSA-N -1 1 342.428 2.520 20 30 EFEDMM C=CC[C@H]1N(CC(=O)Nc2cccc(C(=O)[O-])n2)CCCC1(C)C ZINC001602855406 1096386488 /nfs/dbraw/zinc/38/64/88/1096386488.db2.gz PVOMPIYZTKIUFI-CQSZACIVSA-N -1 1 331.416 2.785 20 30 EFEDMM C=CCNc1nnc(SCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001602867097 1096389065 /nfs/dbraw/zinc/38/90/65/1096389065.db2.gz VPNPJKALOKHMAZ-UHFFFAOYSA-N -1 1 337.459 2.670 20 30 EFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)[C@H](C)CCC ZINC001602878610 1096392017 /nfs/dbraw/zinc/39/20/17/1096392017.db2.gz FCKJEQVILIVTLO-LLVKDONJSA-N -1 1 342.407 2.529 20 30 EFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)[C@H](C)CCC ZINC001602878610 1096392026 /nfs/dbraw/zinc/39/20/26/1096392026.db2.gz FCKJEQVILIVTLO-LLVKDONJSA-N -1 1 342.407 2.529 20 30 EFEDMM C=CCO[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC001602906742 1096398366 /nfs/dbraw/zinc/39/83/66/1096398366.db2.gz MFYCEVNNWPHNHU-CYBMUJFWSA-N -1 1 340.217 2.924 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)c(O)c2)o1 ZINC001602912700 1096399100 /nfs/dbraw/zinc/39/91/00/1096399100.db2.gz WPNKRLMHZUOMIL-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1NCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001602941860 1096403681 /nfs/dbraw/zinc/40/36/81/1096403681.db2.gz JGARENUFUZXQQS-CABCVRRESA-N -1 1 330.409 2.941 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC001603122720 1096452019 /nfs/dbraw/zinc/45/20/19/1096452019.db2.gz SPTSDYFWKMNJBG-MXWKQRLJSA-N -1 1 329.408 2.986 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001603175078 1096466427 /nfs/dbraw/zinc/46/64/27/1096466427.db2.gz KUVFTZIVRGHLFZ-COPLHBTASA-N -1 1 349.818 2.581 20 30 EFEDMM CC(C)CC[C@H]1CCC[C@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603278516 1096492956 /nfs/dbraw/zinc/49/29/56/1096492956.db2.gz QPJKXXVTZFMUPP-VXGBXAGGSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CS[C@H](C(C)C)C2)o1 ZINC001603308749 1096501605 /nfs/dbraw/zinc/50/16/05/1096501605.db2.gz UVZIGBNRWLOYEQ-NSHDSACASA-N -1 1 349.464 2.983 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3scnc32)o1 ZINC001603406431 1096522601 /nfs/dbraw/zinc/52/26/01/1096522601.db2.gz JSVZIBMLNKIAOF-UHFFFAOYSA-N -1 1 344.404 2.587 20 30 EFEDMM C[C@H](CCC1CCCCC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603466027 1096535259 /nfs/dbraw/zinc/53/52/59/1096535259.db2.gz HJWJLLGHZBTOKM-LLVKDONJSA-N -1 1 326.408 2.689 20 30 EFEDMM CC(C)(C)c1nc(NC(=O)c2ccc(C#N)c(O)c2)sc1C(=O)[O-] ZINC001603556672 1096551671 /nfs/dbraw/zinc/55/16/71/1096551671.db2.gz JXBMABYGJUGCPG-UHFFFAOYSA-N -1 1 345.380 2.968 20 30 EFEDMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1cccc(C#N)c1 ZINC001603678357 1096588653 /nfs/dbraw/zinc/58/86/53/1096588653.db2.gz IZYFWLXYHWKLSX-SNVBAGLBSA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1cccc(C#N)c1 ZINC001603678357 1096588660 /nfs/dbraw/zinc/58/86/60/1096588660.db2.gz IZYFWLXYHWKLSX-SNVBAGLBSA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@@H]1CCCc2ccccc2[C@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603899172 1096663261 /nfs/dbraw/zinc/66/32/61/1096663261.db2.gz LVFDNHHMIMOLGE-BZNIZROVSA-N -1 1 346.398 2.654 20 30 EFEDMM C[C@H]1CCCc2ccccc2[C@@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603898569 1096663874 /nfs/dbraw/zinc/66/38/74/1096663874.db2.gz JOWDQLCERIDGAI-MEDUHNTESA-N -1 1 346.398 2.654 20 30 EFEDMM C[C@H]1CCCc2ccccc2[C@@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603898569 1096663878 /nfs/dbraw/zinc/66/38/78/1096663878.db2.gz JOWDQLCERIDGAI-MEDUHNTESA-N -1 1 346.398 2.654 20 30 EFEDMM CC[C@H](C#N)Sc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001603977830 1096686003 /nfs/dbraw/zinc/68/60/03/1096686003.db2.gz JWMCLIHBGJTNAC-SSDOTTSWSA-N -1 1 328.323 2.983 20 30 EFEDMM C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001604132062 1096747432 /nfs/dbraw/zinc/74/74/32/1096747432.db2.gz OOLBLJXOMBFGLT-LLVKDONJSA-N -1 1 337.807 2.622 20 30 EFEDMM C[C@H](NCc1cccc(OCC#N)c1)c1ccccc1OCC(=O)[O-] ZINC001604346471 1096821617 /nfs/dbraw/zinc/82/16/17/1096821617.db2.gz HULRRIUQMOFLAU-AWEZNQCLSA-N -1 1 340.379 2.903 20 30 EFEDMM CCO[C@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC001604411710 1096844428 /nfs/dbraw/zinc/84/44/28/1096844428.db2.gz DFQLJEVOGLNLGS-NSHDSACASA-N -1 1 333.396 2.725 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(C)c(F)c1 ZINC001604485178 1096877913 /nfs/dbraw/zinc/87/79/13/1096877913.db2.gz ICCOXTIKOJIIHK-GFCCVEGCSA-N -1 1 338.350 2.539 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(C)c(F)c1 ZINC001604485178 1096877918 /nfs/dbraw/zinc/87/79/18/1096877918.db2.gz ICCOXTIKOJIIHK-GFCCVEGCSA-N -1 1 338.350 2.539 20 30 EFEDMM C[C@H]1[C@H](C(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001604636012 1096919385 /nfs/dbraw/zinc/91/93/85/1096919385.db2.gz JOINVPNKFDNUPR-UONOGXRCSA-N -1 1 339.395 2.533 20 30 EFEDMM COC(=O)c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001604979820 1096992313 /nfs/dbraw/zinc/99/23/13/1096992313.db2.gz SEXYLRANNTZNPZ-AATRIKPKSA-N -1 1 340.364 2.611 20 30 EFEDMM COC(=O)c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001604979820 1096992318 /nfs/dbraw/zinc/99/23/18/1096992318.db2.gz SEXYLRANNTZNPZ-AATRIKPKSA-N -1 1 340.364 2.611 20 30 EFEDMM COCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)C1CCCC1 ZINC001605036568 1097007782 /nfs/dbraw/zinc/00/77/82/1097007782.db2.gz QLCIJJVTPFQJLD-UHFFFAOYSA-N -1 1 333.396 2.583 20 30 EFEDMM COc1cc(C#N)ccc1Oc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001605190951 1097048049 /nfs/dbraw/zinc/04/80/49/1097048049.db2.gz ABQIQMJURJTBIK-UHFFFAOYSA-N -1 1 334.748 2.649 20 30 EFEDMM COc1cc(C#N)ccc1Oc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605190951 1097048057 /nfs/dbraw/zinc/04/80/57/1097048057.db2.gz ABQIQMJURJTBIK-UHFFFAOYSA-N -1 1 334.748 2.649 20 30 EFEDMM COc1cc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1C#N ZINC001605238112 1097064412 /nfs/dbraw/zinc/06/44/12/1097064412.db2.gz BWBXAYHBOXPVLZ-UHFFFAOYSA-N -1 1 328.719 2.588 20 30 EFEDMM COc1cc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1C#N ZINC001605238112 1097064419 /nfs/dbraw/zinc/06/44/19/1097064419.db2.gz BWBXAYHBOXPVLZ-UHFFFAOYSA-N -1 1 328.719 2.588 20 30 EFEDMM CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001605819064 1097236626 /nfs/dbraw/zinc/23/66/26/1097236626.db2.gz PGKFVEHNODWVHM-GFCCVEGCSA-N -1 1 326.308 2.501 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1c(Cl)oc2ccccc21 ZINC001606018071 1097300471 /nfs/dbraw/zinc/30/04/71/1097300471.db2.gz QOLVKKSSAZQZCZ-UHFFFAOYSA-N -1 1 339.746 2.691 20 30 EFEDMM N#Cc1ncc(Cl)cc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936076 1097349245 /nfs/dbraw/zinc/34/92/45/1097349245.db2.gz HGVOIHCYTDHHEN-UHFFFAOYSA-N -1 1 349.714 2.691 20 30 EFEDMM Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc(C)c1C#N ZINC001167936311 1097350997 /nfs/dbraw/zinc/35/09/97/1097350997.db2.gz ZLNPOOQDKIGJRZ-UHFFFAOYSA-N -1 1 343.323 2.655 20 30 EFEDMM N#CCc1c(F)cccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939291 1097384628 /nfs/dbraw/zinc/38/46/28/1097384628.db2.gz SHJBNJOWMXZBCG-UHFFFAOYSA-N -1 1 346.298 2.976 20 30 EFEDMM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)c(C(F)(F)F)c1 ZINC001606377160 1097395414 /nfs/dbraw/zinc/39/54/14/1097395414.db2.gz FEWRSXKXROCYMO-UHFFFAOYSA-N -1 1 347.260 2.796 20 30 EFEDMM N#Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)c(C(F)(F)F)c1 ZINC001606377160 1097395417 /nfs/dbraw/zinc/39/54/17/1097395417.db2.gz FEWRSXKXROCYMO-UHFFFAOYSA-N -1 1 347.260 2.796 20 30 EFEDMM N#Cc1cccc(OCCCSc2cccnc2-c2nnn[n-]2)c1 ZINC001606381573 1097397114 /nfs/dbraw/zinc/39/71/14/1097397114.db2.gz DWIZVTIOAWKJIZ-UHFFFAOYSA-N -1 1 338.396 2.695 20 30 EFEDMM N#Cc1cccc(OCCCSc2cccnc2-c2nn[n-]n2)c1 ZINC001606381573 1097397118 /nfs/dbraw/zinc/39/71/18/1097397118.db2.gz DWIZVTIOAWKJIZ-UHFFFAOYSA-N -1 1 338.396 2.695 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C2CCC2)c1 ZINC001606482360 1097405652 /nfs/dbraw/zinc/40/56/52/1097405652.db2.gz MEUVRASEYVMILG-GQCTYLIASA-N -1 1 326.385 2.746 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001607064890 1097504084 /nfs/dbraw/zinc/50/40/84/1097504084.db2.gz AXQISDDHXMISBY-SFHVURJKSA-N -1 1 328.343 2.796 20 30 EFEDMM N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(C(=O)[O-])co1 ZINC001608170658 1097850584 /nfs/dbraw/zinc/85/05/84/1097850584.db2.gz WIJATXBSIWOXFI-SECBINFHSA-N -1 1 332.699 2.592 20 30 EFEDMM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc(C(=O)[O-])co1 ZINC001608170658 1097850589 /nfs/dbraw/zinc/85/05/89/1097850589.db2.gz WIJATXBSIWOXFI-SECBINFHSA-N -1 1 332.699 2.592 20 30 EFEDMM N#Cc1ccc(C2(NCC(=O)Nc3ccccc3C(=O)[O-])CCC2)cc1 ZINC001608204323 1097861689 /nfs/dbraw/zinc/86/16/89/1097861689.db2.gz ZLKGJFASWLZMCF-UHFFFAOYSA-N -1 1 349.390 2.864 20 30 EFEDMM N#Cc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1F ZINC001608207627 1097863164 /nfs/dbraw/zinc/86/31/64/1097863164.db2.gz NXPHBHALDBRVIW-UHFFFAOYSA-N -1 1 327.359 2.823 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)[C@@]3(C(=O)[O-])C[C@H]3c3ccccc3)[nH]c2c1 ZINC001608213483 1097865358 /nfs/dbraw/zinc/86/53/58/1097865358.db2.gz NFXMUOFJVKGLCQ-ORAYPTAESA-N -1 1 346.346 2.632 20 30 EFEDMM N#Cc1ccnc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001608220741 1097868444 /nfs/dbraw/zinc/86/84/44/1097868444.db2.gz LFMXFZQPFNSVMQ-AWEZNQCLSA-N -1 1 346.184 2.631 20 30 EFEDMM O=C([O-])c1c(F)cccc1N=NCc1ccccc1-n1cncn1 ZINC001608828791 1098035742 /nfs/dbraw/zinc/03/57/42/1098035742.db2.gz XMHPHLRORRWBGL-UHFFFAOYSA-N -1 1 325.303 2.551 20 30 EFEDMM O=C([O-])c1ccc(-c2ccc(C=NNc3ncnc4nc[nH]c43)o2)cc1 ZINC001608868587 1098049668 /nfs/dbraw/zinc/04/96/68/1098049668.db2.gz WGYVMLIDLKPJON-UHFFFAOYSA-N -1 1 348.322 2.757 20 30 EFEDMM C=C(C)[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001609051229 1098122060 /nfs/dbraw/zinc/12/20/60/1098122060.db2.gz SJPROEWBAQMURA-HNNXBMFYSA-N -1 1 328.326 2.691 20 30 EFEDMM C=C(C)[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001609051229 1098122063 /nfs/dbraw/zinc/12/20/63/1098122063.db2.gz SJPROEWBAQMURA-HNNXBMFYSA-N -1 1 328.326 2.691 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(F)c2)o1 ZINC001609097824 1098144400 /nfs/dbraw/zinc/14/44/00/1098144400.db2.gz XJIXGOVAZQMCQH-UHFFFAOYSA-N -1 1 329.339 2.638 20 30 EFEDMM CC(C)Oc1ccccc1C=NOCc1nc(-c2nnn[n-]2)cs1 ZINC001609103916 1098146857 /nfs/dbraw/zinc/14/68/57/1098146857.db2.gz ZZYJFBHWINSRGF-UHFFFAOYSA-N -1 1 344.400 2.661 20 30 EFEDMM CC(C)Oc1ccccc1C=NOCc1nc(-c2nn[n-]n2)cs1 ZINC001609103916 1098146862 /nfs/dbraw/zinc/14/68/62/1098146862.db2.gz ZZYJFBHWINSRGF-UHFFFAOYSA-N -1 1 344.400 2.661 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccc(O)cc2)o1 ZINC001609116045 1098153502 /nfs/dbraw/zinc/15/35/02/1098153502.db2.gz VSQWMPNVBKTEQZ-UHFFFAOYSA-N -1 1 341.375 2.714 20 30 EFEDMM CCc1ccc(CCCN=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC001609251906 1098225911 /nfs/dbraw/zinc/22/59/11/1098225911.db2.gz QVIZMUWDKHCVFP-UHFFFAOYSA-N -1 1 325.376 2.756 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)cccc2Cl)o1 ZINC001609446049 1098327371 /nfs/dbraw/zinc/32/73/71/1098327371.db2.gz JJLINMYLGKFJOU-UHFFFAOYSA-N -1 1 338.158 2.916 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1ccc(Cl)cc1Cl ZINC001609445814 1098328588 /nfs/dbraw/zinc/32/85/88/1098328588.db2.gz VUZGSTGLSSRIAE-UHFFFAOYSA-N -1 1 334.170 2.598 20 30 EFEDMM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001269686668 1098367394 /nfs/dbraw/zinc/36/73/94/1098367394.db2.gz LYSIVENNOGCGFP-CQSZACIVSA-N -1 1 348.830 2.590 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc(Cl)ccc1[O-] ZINC001269687281 1098368882 /nfs/dbraw/zinc/36/88/82/1098368882.db2.gz QFPHYMVGMRIDAQ-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cccc(C#N)c1 ZINC001609873866 1098482103 /nfs/dbraw/zinc/48/21/03/1098482103.db2.gz DNIDECWXWGKLSX-OAHLLOKOSA-N -1 1 335.407 2.967 20 30 EFEDMM Cc1cc([C@@H](C)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001610443855 1098680953 /nfs/dbraw/zinc/68/09/53/1098680953.db2.gz BGKWLYWAHVMPDD-TZMCWYRMSA-N -1 1 341.367 2.767 20 30 EFEDMM Cn1cc(CNCc2ccc(C(=O)[O-])o2)c(-c2ccc(C#N)cc2)n1 ZINC001610603108 1098779583 /nfs/dbraw/zinc/77/95/83/1098779583.db2.gz KUZHPCIMOSNXEP-UHFFFAOYSA-N -1 1 336.351 2.540 20 30 EFEDMM N#CCCN(C(=O)CN[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001610621835 1098787558 /nfs/dbraw/zinc/78/75/58/1098787558.db2.gz WRLKSXMFVKSVCX-GOSISDBHSA-N -1 1 343.427 2.556 20 30 EFEDMM N#CC1(c2ccccn2)CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001610620328 1098788239 /nfs/dbraw/zinc/78/82/39/1098788239.db2.gz LEAIUFSWWZKNAG-KRWDZBQOSA-N -1 1 339.370 2.904 20 30 EFEDMM N#CCc1ccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001610624005 1098789990 /nfs/dbraw/zinc/78/99/90/1098789990.db2.gz AKVMXAFDZQKZBA-UHFFFAOYSA-N -1 1 341.436 2.835 20 30 EFEDMM N#Cc1cccc(OC2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)c1 ZINC001610632581 1098795481 /nfs/dbraw/zinc/79/54/81/1098795481.db2.gz RCGPBCUHPZQAIZ-UHFFFAOYSA-N -1 1 337.379 2.695 20 30 EFEDMM N#Cc1cccc(-c2nc([N-]C(=O)c3nc4cnccc4s3)n[nH]2)c1 ZINC001611704031 1099030597 /nfs/dbraw/zinc/03/05/97/1099030597.db2.gz MQAYOWGKGRVKFV-UHFFFAOYSA-N -1 1 347.363 2.600 20 30 EFEDMM CC(C)(C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)no1 ZINC001611702275 1099031038 /nfs/dbraw/zinc/03/10/38/1099031038.db2.gz USVTVZPGEHASLE-UHFFFAOYSA-N -1 1 336.355 2.881 20 30 EFEDMM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000785401009 1099443577 /nfs/dbraw/zinc/44/35/77/1099443577.db2.gz LAJMOMGBHQHGAA-UHFFFAOYSA-N -1 1 343.770 2.628 20 30 EFEDMM N#Cc1ccsc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000748098085 1101883152 /nfs/dbraw/zinc/88/31/52/1101883152.db2.gz KEGCOSHVWADULI-UHFFFAOYSA-N -1 1 327.317 2.789 20 30 EFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc([O-])cc(F)c1 ZINC001271561527 1102117079 /nfs/dbraw/zinc/11/70/79/1102117079.db2.gz JJPGQTVLMOIPRN-LJQANCHMSA-N -1 1 346.402 2.705 20 30 EFEDMM CC(C)(C#N)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001143395633 1102302206 /nfs/dbraw/zinc/30/22/06/1102302206.db2.gz KMOITUYFGFJIKI-QGMBQPNBSA-N -1 1 341.396 2.710 20 30 EFEDMM C[C@@H](NN=Cc1cc(O)c([O-])c(Br)c1)C(F)(F)F ZINC000834999394 1102511512 /nfs/dbraw/zinc/51/15/12/1102511512.db2.gz FFTMDUPBVPLGFD-RXMQYKEDSA-N -1 1 327.100 2.735 20 30 EFEDMM C[C@H](NN=Cc1cc(O)c([O-])c(Br)c1)C(F)(F)F ZINC000834999397 1102511168 /nfs/dbraw/zinc/51/11/68/1102511168.db2.gz FFTMDUPBVPLGFD-YFKPBYRVSA-N -1 1 327.100 2.735 20 30 EFEDMM CS(=O)(=O)[C@H]1C[C@@H](Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001168254539 1104601453 /nfs/dbraw/zinc/60/14/53/1104601453.db2.gz IVTVQFVXUNJWEM-BGUMPDMCSA-N -1 1 336.335 2.501 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3[O-])C2)C1=O ZINC001272260911 1107466238 /nfs/dbraw/zinc/46/62/38/1107466238.db2.gz FIPROCWFZDWMPW-SFHVURJKSA-N -1 1 348.830 2.686 20 30 EFEDMM CCn1nc(C)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC000904179988 1107674553 /nfs/dbraw/zinc/67/45/53/1107674553.db2.gz GAXRZEWVIFAWOE-UHFFFAOYSA-N -1 1 329.187 2.945 20 30 EFEDMM CO[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1cnn(C)c1 ZINC000904181257 1107675238 /nfs/dbraw/zinc/67/52/38/1107675238.db2.gz RUPADJZTUUCTPT-CYBMUJFWSA-N -1 1 344.198 2.832 20 30 EFEDMM C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001272227975 1108522962 /nfs/dbraw/zinc/52/29/62/1108522962.db2.gz VTAWAIQKEIATBH-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C=C1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000898695047 1109060009 /nfs/dbraw/zinc/06/00/09/1109060009.db2.gz SZHLSWQMZYMQJR-KRWDZBQOSA-N -1 1 336.391 2.548 20 30 EFEDMM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1cncc(Cl)n1 ZINC000914557318 1111257773 /nfs/dbraw/zinc/25/77/73/1111257773.db2.gz QKKNHZRZAKEZBF-UHFFFAOYSA-N -1 1 341.680 2.917 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(Cl)c1 ZINC000914599437 1111283081 /nfs/dbraw/zinc/28/30/81/1111283081.db2.gz GVLFNLCBGZRGKU-UHFFFAOYSA-N -1 1 333.800 2.803 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CCCCc3ccccc32)c2ccccc21 ZINC000914600783 1111283544 /nfs/dbraw/zinc/28/35/44/1111283544.db2.gz YTXMZSJPLOJOCL-UHFFFAOYSA-N -1 1 339.420 2.856 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2c(F)cccc2Cl)c2ccccc21 ZINC000914600770 1111283699 /nfs/dbraw/zinc/28/36/99/1111283699.db2.gz YMPAEFPALBUKEK-UHFFFAOYSA-N -1 1 337.763 2.552 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1Cl ZINC000914600774 1111283891 /nfs/dbraw/zinc/28/38/91/1111283891.db2.gz YOAMUWXNBXZKNC-UHFFFAOYSA-N -1 1 333.800 2.803 20 30 EFEDMM C[C@H]1C(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC[C@@H]1C ZINC000781122479 1111809563 /nfs/dbraw/zinc/80/95/63/1111809563.db2.gz OWQAUKNEMBSWNK-NWDGAFQWSA-N -1 1 339.417 2.826 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C#N)CC3)cc2)cc1N ZINC001212256587 1112370180 /nfs/dbraw/zinc/37/01/80/1112370180.db2.gz TZTOIOQNFKDHTN-UHFFFAOYSA-N -1 1 327.409 2.933 20 30 EFEDMM C=C(C)C(C)(C)C(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000943203528 1119360382 /nfs/dbraw/zinc/36/03/82/1119360382.db2.gz KVTCUJAVGPABIN-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM CCN(C(C)=O)c1nc(/C=C2\Oc3cc([O-])ccc3C2=O)cs1 ZINC000028621531 202173965 /nfs/dbraw/zinc/17/39/65/202173965.db2.gz NDEQOISLIUZGER-NSIKDUERSA-N -1 1 330.365 2.838 20 30 EFEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000171349066 239143645 /nfs/dbraw/zinc/14/36/45/239143645.db2.gz MAVOLSBXYUQMGW-UHFFFAOYSA-N -1 1 348.380 2.888 20 30 EFEDMM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000193326589 240095498 /nfs/dbraw/zinc/09/54/98/240095498.db2.gz LKZGKKHXQZOGIG-NWDGAFQWSA-N -1 1 328.459 2.715 20 30 EFEDMM N#CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000194129171 240140596 /nfs/dbraw/zinc/14/05/96/240140596.db2.gz NTJCTHQSFGAMQE-UHFFFAOYSA-N -1 1 343.792 2.753 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N[C@]2(C)CCCOC2)c(=O)[n-]1 ZINC000329168934 241317086 /nfs/dbraw/zinc/31/70/86/241317086.db2.gz JJFFBGQJNVXQDF-OAHLLOKOSA-N -1 1 325.434 2.671 20 30 EFEDMM Cc1cc(C)n(-c2ccc(C([O-])=C(C#N)c3ccncn3)cc2F)n1 ZINC000354468768 242001229 /nfs/dbraw/zinc/00/12/29/242001229.db2.gz POJNFRPEWSJHFJ-AWEZNQCLSA-N -1 1 335.342 2.908 20 30 EFEDMM N#CCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000356735007 242077473 /nfs/dbraw/zinc/07/74/73/242077473.db2.gz DAOFKJOINOQILW-UHFFFAOYSA-N -1 1 326.299 2.971 20 30 EFEDMM C=CCOc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000358637303 242126626 /nfs/dbraw/zinc/12/66/26/242126626.db2.gz REBURLKRCSYEJU-UHFFFAOYSA-N -1 1 339.394 2.812 20 30 EFEDMM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000412505661 243343815 /nfs/dbraw/zinc/34/38/15/243343815.db2.gz KFGJKGVIRXAMNF-LLVKDONJSA-N -1 1 330.384 2.599 20 30 EFEDMM Cn1cccc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000414376839 244119355 /nfs/dbraw/zinc/11/93/55/244119355.db2.gz AYJMINRWXXNTCN-UHFFFAOYSA-N -1 1 333.413 2.875 20 30 EFEDMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000421929656 246171523 /nfs/dbraw/zinc/17/15/23/246171523.db2.gz XRHQDQACSCMKRL-IUODEOHRSA-N -1 1 344.411 2.846 20 30 EFEDMM N#CC[C@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425295392 247030239 /nfs/dbraw/zinc/03/02/39/247030239.db2.gz FNYZSELFBSQRQB-HUUCEWRRSA-N -1 1 340.383 2.569 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1F ZINC000427282403 247333309 /nfs/dbraw/zinc/33/33/09/247333309.db2.gz TVDNWLFCZGTDIA-UHFFFAOYSA-N -1 1 338.335 2.846 20 30 EFEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc21 ZINC000427134814 247319552 /nfs/dbraw/zinc/31/95/52/247319552.db2.gz DUQHUBBHCWUXTP-UHFFFAOYSA-N -1 1 329.356 2.990 20 30 EFEDMM N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2n1)c1ccncn1 ZINC000442534109 250085691 /nfs/dbraw/zinc/08/56/91/250085691.db2.gz HBUSURARQKBVPV-SECBINFHSA-N -1 1 332.150 2.921 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)cc1[O-] ZINC000442670940 250098446 /nfs/dbraw/zinc/09/84/46/250098446.db2.gz KIVIBZZIJBKPFN-INIZCTEOSA-N -1 1 332.363 2.701 20 30 EFEDMM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000344666743 142058349 /nfs/dbraw/zinc/05/83/49/142058349.db2.gz CSPCQJOXWDABPG-LBPRGKRZSA-N -1 1 336.438 2.919 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000344767807 142074947 /nfs/dbraw/zinc/07/49/47/142074947.db2.gz INTQJPJKIZWRQY-GJZGRUSLSA-N -1 1 330.409 2.841 20 30 EFEDMM 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CC(C)(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000569584230 319394944 /nfs/dbraw/zinc/39/49/44/319394944.db2.gz DYNSKGXFLPRWEH-UHFFFAOYSA-N -1 1 348.424 2.806 20 30 EFEDMM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)o2)c1-c1ccccc1 ZINC000577557030 320120999 /nfs/dbraw/zinc/12/09/99/320120999.db2.gz SCLMECDUDMPKIZ-UHFFFAOYSA-N -1 1 328.353 2.651 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000081530448 473216283 /nfs/dbraw/zinc/21/62/83/473216283.db2.gz GBEXDAKYUMUFHI-UHFFFAOYSA-N -1 1 338.411 2.520 20 30 EFEDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)[nH]n1 ZINC000184867715 473259110 /nfs/dbraw/zinc/25/91/10/473259110.db2.gz YPYYTKYBVCEGRR-LLVKDONJSA-N -1 1 348.428 2.994 20 30 EFEDMM C[C@@H](C#N)CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)n[n-]c1=S ZINC000148229775 473315475 /nfs/dbraw/zinc/31/54/75/473315475.db2.gz LVODNSALAXHDRZ-JTQLQIEISA-N -1 1 349.847 2.879 20 30 EFEDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000125015214 473343008 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C[C@@H](O)[C@@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)Cc1ccccc1 ZINC000616687571 479950244 /nfs/dbraw/zinc/95/02/44/479950244.db2.gz XEYYRKVMYJSRIZ-JLTOFOAXSA-N -1 1 338.407 2.623 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1OC ZINC000026529454 472140971 /nfs/dbraw/zinc/14/09/71/472140971.db2.gz KROXNFHVBNASSN-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM CCn1c([C@@H]2CCCN(C(=O)c3cc(C#N)cs3)C2)n[n-]c1=S ZINC000084295835 472165186 /nfs/dbraw/zinc/16/51/86/472165186.db2.gz REOFVNLHHRTBEX-LLVKDONJSA-N -1 1 347.469 2.914 20 30 EFEDMM CN(CCC#N)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075938809 472223762 /nfs/dbraw/zinc/22/37/62/472223762.db2.gz WIMCADMDEPWWLI-UHFFFAOYSA-N -1 1 329.425 2.833 20 30 EFEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000084938962 472230408 /nfs/dbraw/zinc/23/04/08/472230408.db2.gz DGOGAHULSJKITL-UHFFFAOYSA-N -1 1 342.376 2.662 20 30 EFEDMM Cn1c(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000085357641 472237360 /nfs/dbraw/zinc/23/73/60/472237360.db2.gz 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472496488 /nfs/dbraw/zinc/49/64/88/472496488.db2.gz ASKAYBUKKIFYGS-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM C=C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000155223352 472521877 /nfs/dbraw/zinc/52/18/77/472521877.db2.gz FHUXUHUJTFXCQS-GUYCJALGSA-N -1 1 338.407 2.841 20 30 EFEDMM C=C(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000119176774 472534349 /nfs/dbraw/zinc/53/43/49/472534349.db2.gz LMUHSDSYUGHUDL-UHFFFAOYSA-N -1 1 326.162 2.582 20 30 EFEDMM C=CCN(CC1CCCCC1)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119246319 472539496 /nfs/dbraw/zinc/53/94/96/472539496.db2.gz KIJSMVLKQZZWIW-UHFFFAOYSA-N -1 1 328.416 2.882 20 30 EFEDMM N#C[C@H](C(=O)c1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706944 472587031 /nfs/dbraw/zinc/58/70/31/472587031.db2.gz OBNPYQMCMFHTAX-SNVBAGLBSA-N -1 1 339.376 2.946 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000130293847 472596153 /nfs/dbraw/zinc/59/61/53/472596153.db2.gz KDPNUZPSHGMGHO-UHFFFAOYSA-N -1 1 337.744 2.921 20 30 EFEDMM CCCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC ZINC000103085731 472610675 /nfs/dbraw/zinc/61/06/75/472610675.db2.gz AALQEFUTGMVUFX-FZMUQLTDSA-N -1 1 344.363 2.712 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000155910060 472638506 /nfs/dbraw/zinc/63/85/06/472638506.db2.gz JJLCECGPWJUSSP-UHFFFAOYSA-N -1 1 335.316 2.715 20 30 EFEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000613446015 480002470 /nfs/dbraw/zinc/00/24/70/480002470.db2.gz ZUOYMNYJENIODN-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2O1 ZINC000047251034 472676501 /nfs/dbraw/zinc/67/65/01/472676501.db2.gz VTBMIKMQOKJMRS-UHFFFAOYSA-N -1 1 330.365 2.866 20 30 EFEDMM C=CCC(CC=C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000091159548 472719294 /nfs/dbraw/zinc/71/92/94/472719294.db2.gz LTWJPDOBECPEBG-UHFFFAOYSA-N -1 1 326.393 2.904 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1[N+](=O)[O-] ZINC000063878739 472824692 /nfs/dbraw/zinc/82/46/92/472824692.db2.gz 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Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000172124066 473528757 /nfs/dbraw/zinc/52/87/57/473528757.db2.gz QPWLHAPTVWBIPX-UHFFFAOYSA-N -1 1 340.364 2.718 20 30 EFEDMM C#CCOc1ccc(F)cc1NC(=O)Cn1c(CCC)n[n-]c1=S ZINC000152972217 473602806 /nfs/dbraw/zinc/60/28/06/473602806.db2.gz ZZZMOYBJDZMLSF-UHFFFAOYSA-N -1 1 348.403 2.683 20 30 EFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1F ZINC000172564766 473643315 /nfs/dbraw/zinc/64/33/15/473643315.db2.gz CLCXHLJAEFWLJO-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC000179672549 473707074 /nfs/dbraw/zinc/70/70/74/473707074.db2.gz LRTJXOCGOLBIHG-UHFFFAOYSA-N -1 1 328.803 2.634 20 30 EFEDMM C=CCN1CC[C@H](N(C)Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000281416520 473713879 /nfs/dbraw/zinc/71/38/79/473713879.db2.gz YRYHUKOWOLYNBO-ZDUSSCGKSA-N -1 1 329.227 2.918 20 30 EFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000193355817 473782661 /nfs/dbraw/zinc/78/26/61/473782661.db2.gz 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Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344296917 476226846 /nfs/dbraw/zinc/22/68/46/476226846.db2.gz AQCWIVMACKRYJG-ZDUSSCGKSA-N -1 1 334.397 2.514 20 30 EFEDMM Cc1cccc2nc(C(C#N)=C([O-])c3ncn(-c4ccccc4)n3)[nH]c21 ZINC000352124065 476525743 /nfs/dbraw/zinc/52/57/43/476525743.db2.gz VGMWXOSORALHLF-CQSZACIVSA-N -1 1 342.362 2.942 20 30 EFEDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000415635317 476946936 /nfs/dbraw/zinc/94/69/36/476946936.db2.gz CNUYDTPQFIMOFF-UHFFFAOYSA-N -1 1 326.356 2.640 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C#N)cc2F)[n-]c1=O ZINC000432698922 477250769 /nfs/dbraw/zinc/25/07/69/477250769.db2.gz LPBYLBYAMMBKLF-UXBLZVDNSA-N -1 1 327.315 2.930 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)ccc1C#N ZINC000435754776 477365484 /nfs/dbraw/zinc/36/54/84/477365484.db2.gz YLAYFSZYTXRPNK-UHFFFAOYSA-N -1 1 329.337 2.514 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C ZINC000416933088 477375796 /nfs/dbraw/zinc/37/57/96/477375796.db2.gz 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CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Cc1ccccc1 ZINC000561543746 478193032 /nfs/dbraw/zinc/19/30/32/478193032.db2.gz QPYBALYIYKJERJ-OAHLLOKOSA-N -1 1 332.425 2.944 20 30 EFEDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000495571117 478233320 /nfs/dbraw/zinc/23/33/20/478233320.db2.gz LSBFSMLJFDLBSA-UHFFFAOYSA-N -1 1 331.353 2.537 20 30 EFEDMM CC(C)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(=O)OC(C)(C)C ZINC000594392525 478360448 /nfs/dbraw/zinc/36/04/48/478360448.db2.gz IDLRNSMWUJDDHE-HNNXBMFYSA-N -1 1 332.400 2.608 20 30 EFEDMM Cn1ccnc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000525948327 478399118 /nfs/dbraw/zinc/39/91/18/478399118.db2.gz HSUOFJJTGIWCJF-QGZVFWFLSA-N -1 1 332.363 2.517 20 30 EFEDMM Cc1cnc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[n-]c1=O ZINC000581677883 478418865 /nfs/dbraw/zinc/41/88/65/478418865.db2.gz RSKMVEKGJYQGKF-OFKYTCTHSA-N -1 1 348.472 2.902 20 30 EFEDMM N#Cc1c2c(sc1[N-]C(=O)c1noc3c1COCC3)CCCC2 ZINC000527591653 478437046 /nfs/dbraw/zinc/43/70/46/478437046.db2.gz WXOPBSONZMEHHF-UHFFFAOYSA-N -1 1 329.381 2.812 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000496026282 478488293 /nfs/dbraw/zinc/48/82/93/478488293.db2.gz NCEXYVZQOSJADM-HIFRSBDPSA-N -1 1 348.399 2.813 20 30 EFEDMM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000563223924 478489381 /nfs/dbraw/zinc/48/93/81/478489381.db2.gz FYKDLJKPPNUXPH-UHFFFAOYSA-N -1 1 348.428 2.568 20 30 EFEDMM COC(=O)c1sc(C)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000594696598 478502019 /nfs/dbraw/zinc/50/20/19/478502019.db2.gz KTGRSBBIETZNMJ-UHFFFAOYSA-N -1 1 330.431 2.525 20 30 EFEDMM CC(C)(CO)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000597845486 478536811 /nfs/dbraw/zinc/53/68/11/478536811.db2.gz HZNDICVBXVGJPH-OAHLLOKOSA-N -1 1 330.409 2.815 20 30 EFEDMM C=CCCSCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000594815589 478550142 /nfs/dbraw/zinc/55/01/42/478550142.db2.gz XWWKGVBCTUGIDC-UHFFFAOYSA-N -1 1 325.377 2.692 20 30 EFEDMM N#CC1(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCCCC1 ZINC000594883474 478570920 /nfs/dbraw/zinc/57/09/20/478570920.db2.gz CTROJJXRUJJYDN-UHFFFAOYSA-N -1 1 347.362 2.853 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000597979623 478605034 /nfs/dbraw/zinc/60/50/34/478605034.db2.gz XQNPCAWRQJICJJ-CQSZACIVSA-N -1 1 342.317 2.884 20 30 EFEDMM C#C[C@@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000491660013 478621044 /nfs/dbraw/zinc/62/10/44/478621044.db2.gz MCGZMWHGSCIJRJ-HNNXBMFYSA-N -1 1 342.420 2.629 20 30 EFEDMM Cc1cc(=O)[n-]c(N=NC[C@H](CC2CC2)NC(=O)OC(C)(C)C)n1 ZINC000496314107 478646292 /nfs/dbraw/zinc/64/62/92/478646292.db2.gz ZAZBLICAYXIIFN-LBPRGKRZSA-N -1 1 335.408 2.582 20 30 EFEDMM C#C[C@@H](C)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000491747591 478660352 /nfs/dbraw/zinc/66/03/52/478660352.db2.gz RXJZJEJVBVCKBG-CQSZACIVSA-N -1 1 342.420 2.581 20 30 EFEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000491825647 478697692 /nfs/dbraw/zinc/69/76/92/478697692.db2.gz PHFOFRUMYUBUCL-NSHDSACASA-N -1 1 333.388 2.971 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000598199407 478700885 /nfs/dbraw/zinc/70/08/85/478700885.db2.gz KSKBMHXYCDACJS-PKOBYXMFSA-N -1 1 336.391 2.502 20 30 EFEDMM N#CC1CCC(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000592050749 478755581 /nfs/dbraw/zinc/75/55/81/478755581.db2.gz SBNPGHLVVLPVLD-UHFFFAOYSA-N -1 1 347.362 2.709 20 30 EFEDMM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000583696840 478919318 /nfs/dbraw/zinc/91/93/18/478919318.db2.gz KMRAUFXAAHXCAE-UHFFFAOYSA-N -1 1 343.836 2.980 20 30 EFEDMM Cc1cnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)[n-]c1=O ZINC000565241059 478960682 /nfs/dbraw/zinc/96/06/82/478960682.db2.gz OUYACQZWPIQDGT-CYBMUJFWSA-N -1 1 342.424 2.918 20 30 EFEDMM Cc1cccnc1OC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000592794101 479047788 /nfs/dbraw/zinc/04/77/88/479047788.db2.gz OOBNLABPENCHAD-UHFFFAOYSA-N -1 1 337.379 2.651 20 30 EFEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000611028872 479266489 /nfs/dbraw/zinc/26/64/89/479266489.db2.gz DPOFUMHZMKOPNQ-VIFPVBQESA-N -1 1 335.198 2.559 20 30 EFEDMM Cc1[nH]nc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1[O-] ZINC000610989487 479253149 /nfs/dbraw/zinc/25/31/49/479253149.db2.gz OXZGXDKDJVAQAW-SECBINFHSA-N -1 1 325.155 2.725 20 30 EFEDMM N#CCc1ccnc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000557385240 479275826 /nfs/dbraw/zinc/27/58/26/479275826.db2.gz SMWRQXMMQNNDCH-UHFFFAOYSA-N -1 1 335.816 2.785 20 30 EFEDMM N#C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1Br ZINC000585699311 479313091 /nfs/dbraw/zinc/31/30/91/479313091.db2.gz JNOLIGLFXZYIAH-ZDUSSCGKSA-N -1 1 332.157 2.544 20 30 EFEDMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000611292436 479339644 /nfs/dbraw/zinc/33/96/44/479339644.db2.gz VKCSFLMCOKBSOK-SNVBAGLBSA-N -1 1 337.351 2.579 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3F)CCC2)o1 ZINC000593617475 479403926 /nfs/dbraw/zinc/40/39/26/479403926.db2.gz XBXBJHFSKLLAOB-UHFFFAOYSA-N -1 1 334.372 2.691 20 30 EFEDMM CC[C@H](C#N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000593634655 479409555 /nfs/dbraw/zinc/40/95/55/479409555.db2.gz COZWWAIKLRDRPA-GFCCVEGCSA-N -1 1 329.400 2.943 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)o1 ZINC000588847113 479448348 /nfs/dbraw/zinc/44/83/48/479448348.db2.gz LAWPORUXTQSRNS-UHFFFAOYSA-N -1 1 348.771 2.996 20 30 EFEDMM N#C[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1Br ZINC000614621860 479460972 /nfs/dbraw/zinc/46/09/72/479460972.db2.gz QJGQALRJRCZJBG-LLVKDONJSA-N -1 1 332.157 2.544 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccccc2Br)c1 ZINC000589168370 479490816 /nfs/dbraw/zinc/49/08/16/479490816.db2.gz YAENNUDOZDVXNQ-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM COC(=O)CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589180354 479492224 /nfs/dbraw/zinc/49/22/24/479492224.db2.gz ZDLMGTQXGKRGFZ-QGZVFWFLSA-N -1 1 338.363 2.688 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000589175180 479492311 /nfs/dbraw/zinc/49/23/11/479492311.db2.gz FFJWBJVZKUHGPW-UHFFFAOYSA-N -1 1 339.742 2.955 20 30 EFEDMM COc1ccc2[nH]cc(CCNC(=O)c3cc([O-])cc(C#N)c3)c2c1 ZINC000589180770 479492444 /nfs/dbraw/zinc/49/24/44/479492444.db2.gz HPCBJOLRUKVNCI-UHFFFAOYSA-N -1 1 335.363 2.726 20 30 EFEDMM Cc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1[N+](=O)[O-] ZINC000589188069 479493964 /nfs/dbraw/zinc/49/39/64/479493964.db2.gz NJWPQVVEXSRSGH-LLVKDONJSA-N -1 1 325.324 2.972 20 30 EFEDMM Cc1ccc(C)c(N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589189763 479494146 /nfs/dbraw/zinc/49/41/46/479494146.db2.gz KWULTIAROORQIN-UHFFFAOYSA-N -1 1 335.407 2.843 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000589197908 479495631 /nfs/dbraw/zinc/49/56/31/479495631.db2.gz AQZNYLVYDAZYKS-UHFFFAOYSA-N -1 1 344.374 2.648 20 30 EFEDMM CC(C)(C)c1nc(CCNC(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000589196573 479495651 /nfs/dbraw/zinc/49/56/51/479495651.db2.gz OYNDWCYASJEGKR-UHFFFAOYSA-N -1 1 329.425 2.990 20 30 EFEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc12 ZINC000589652076 479555581 /nfs/dbraw/zinc/55/55/81/479555581.db2.gz VYADYCMEQXEXAR-UHFFFAOYSA-N -1 1 340.408 2.749 20 30 EFEDMM COCCCCc1cccnc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589737655 479563632 /nfs/dbraw/zinc/56/36/32/479563632.db2.gz JAVIWAMSAZVQHB-UHFFFAOYSA-N -1 1 325.368 2.880 20 30 EFEDMM N#CCc1ccc(CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)cc1 ZINC000577703266 479595114 /nfs/dbraw/zinc/59/51/14/479595114.db2.gz PFBUEYBYFJGCLU-UHFFFAOYSA-N -1 1 338.392 2.512 20 30 EFEDMM N#CCc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)cc1 ZINC000577703266 479595121 /nfs/dbraw/zinc/59/51/21/479595121.db2.gz PFBUEYBYFJGCLU-UHFFFAOYSA-N -1 1 338.392 2.512 20 30 EFEDMM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000615302343 479651639 /nfs/dbraw/zinc/65/16/39/479651639.db2.gz UAVBKBKMHHFSPK-UHFFFAOYSA-N -1 1 349.390 2.964 20 30 EFEDMM Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)cccc1[N+](=O)[O-] ZINC000619461412 479799970 /nfs/dbraw/zinc/79/99/70/479799970.db2.gz YLPBEVPBVHUKFQ-UHFFFAOYSA-N -1 1 331.353 2.770 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2csc(-c3ccco3)n2)c1 ZINC000616035224 479813377 /nfs/dbraw/zinc/81/33/77/479813377.db2.gz VLWIGWUXISTNHM-UHFFFAOYSA-N -1 1 325.349 2.910 20 30 EFEDMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000619618558 479842371 /nfs/dbraw/zinc/84/23/71/479842371.db2.gz CLTSAICBOLCOAU-IEGACIPQSA-N -1 1 328.412 2.666 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000614295597 480257491 /nfs/dbraw/zinc/25/74/91/480257491.db2.gz YGWHYVDSZJQAFW-UHFFFAOYSA-N -1 1 349.390 2.932 20 30 EFEDMM CN(Cc1ccc(Br)o1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295607 480257670 /nfs/dbraw/zinc/25/76/70/480257670.db2.gz YQOSMLHDKZFMSW-UHFFFAOYSA-N -1 1 335.157 2.892 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000614295365 480257991 /nfs/dbraw/zinc/25/79/91/480257991.db2.gz JOBLDGLUKJFCCS-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccnc2OC2CCCC2)c1 ZINC000614295526 480258305 /nfs/dbraw/zinc/25/83/05/480258305.db2.gz VUYALGUSPOZTIH-UHFFFAOYSA-N -1 1 337.379 2.910 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000614298232 480258328 /nfs/dbraw/zinc/25/83/28/480258328.db2.gz JJTHUXBFAHQVNU-LLVKDONJSA-N -1 1 335.363 2.640 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccnc(OC3CCCC3)c2)c1 ZINC000614295449 480258467 /nfs/dbraw/zinc/25/84/67/480258467.db2.gz RWLFBQQGGOZUEG-UHFFFAOYSA-N -1 1 337.379 2.910 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2nc(C(F)(F)F)cs2)c1 ZINC000614300817 480259462 /nfs/dbraw/zinc/25/94/62/480259462.db2.gz VGJQMHZQMFVUMF-UHFFFAOYSA-N -1 1 341.314 2.712 20 30 EFEDMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614363087 480282478 /nfs/dbraw/zinc/28/24/78/480282478.db2.gz HKSJTQYQWBJXQI-UHFFFAOYSA-N -1 1 343.770 2.628 20 30 EFEDMM CNC(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Cl ZINC000614364066 480284156 /nfs/dbraw/zinc/28/41/56/480284156.db2.gz XPKGHWVWVSOMAP-UHFFFAOYSA-N -1 1 329.743 2.529 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCC(=O)Nc2cccc3ccccc32)c1 ZINC000614368401 480285181 /nfs/dbraw/zinc/28/51/81/480285181.db2.gz NOJZEMVAGXBZNQ-UHFFFAOYSA-N -1 1 345.358 2.786 20 30 EFEDMM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614367112 480285354 /nfs/dbraw/zinc/28/53/54/480285354.db2.gz BISTVGZFVBOCRQ-UHFFFAOYSA-N -1 1 334.379 2.845 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000614370623 480286162 /nfs/dbraw/zinc/28/61/62/480286162.db2.gz ZJUYGFGJPVPBQW-ZDUSSCGKSA-N -1 1 332.363 2.941 20 30 EFEDMM Cc1noc(C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccccc2)n1 ZINC000617653045 480312773 /nfs/dbraw/zinc/31/27/73/480312773.db2.gz WXVMXERGFQGDBN-KRWDZBQOSA-N -1 1 348.362 2.669 20 30 EFEDMM N#CC1(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC000642780146 481261961 /nfs/dbraw/zinc/26/19/61/481261961.db2.gz VJNSQDIPGHUBSC-UHFFFAOYSA-N -1 1 341.411 2.690 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000665652280 481980600 /nfs/dbraw/zinc/98/06/00/481980600.db2.gz UZQCODNOPXXXBJ-FQEVSTJZSA-N -1 1 348.358 2.514 20 30 EFEDMM C=C1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000355002034 534460348 /nfs/dbraw/zinc/46/03/48/534460348.db2.gz FMROKQHVNJGBEK-UHFFFAOYSA-N -1 1 343.164 2.789 20 30 EFEDMM C=CCN1C(=O)N[C@H](c2ccc([O-])c(Cl)c2)C(C(=O)OC)=C1C ZINC000299302108 534846298 /nfs/dbraw/zinc/84/62/98/534846298.db2.gz QYCDDPUUTJYMFE-CQSZACIVSA-N -1 1 336.775 2.745 20 30 EFEDMM C[C@H](O)[C@@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)Cc1ccccc1 ZINC000192034370 525838826 /nfs/dbraw/zinc/83/88/26/525838826.db2.gz BNPKZQCOWIHCNJ-VBKZILBWSA-N -1 1 338.407 2.623 20 30 EFEDMM C=CC[C@@H](CO)CN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418927796 534888552 /nfs/dbraw/zinc/88/85/52/534888552.db2.gz UIXKIJBDKAWOID-ZCFIWIBFSA-N -1 1 345.184 2.943 20 30 EFEDMM CC(C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159333062 527452140 /nfs/dbraw/zinc/45/21/40/527452140.db2.gz VJOQYTUVXHMORN-UHFFFAOYSA-N -1 1 343.408 2.976 20 30 EFEDMM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000195526087 535393909 /nfs/dbraw/zinc/39/39/09/535393909.db2.gz GJHMAHHSBYQBQX-AWEZNQCLSA-N -1 1 343.408 2.519 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)n(C)c2C)n1 ZINC000354661841 535728549 /nfs/dbraw/zinc/72/85/49/535728549.db2.gz UKGGSGWMIIVGLQ-GFCCVEGCSA-N -1 1 331.397 2.765 20 30 EFEDMM CC[C@]1(CNC(=O)c2ccc(C#N)c([O-])c2)OCCc2ccccc21 ZINC000356694465 535948151 /nfs/dbraw/zinc/94/81/51/535948151.db2.gz DKBNJIIFBWDQPU-HXUWFJFHSA-N -1 1 336.391 2.872 20 30 EFEDMM COCCOc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354473393 536634599 /nfs/dbraw/zinc/63/45/99/536634599.db2.gz WDOBTQKGBOHFFR-ZDUSSCGKSA-N -1 1 331.759 2.645 20 30 EFEDMM Cc1ccc2c(c1)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCC2 ZINC000753924379 575359836 /nfs/dbraw/zinc/35/98/36/575359836.db2.gz RAYOWEIOAXRDJB-UHFFFAOYSA-N -1 1 339.420 2.774 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000755003497 575528627 /nfs/dbraw/zinc/52/86/27/575528627.db2.gz XECWSJGRWATUKH-UHFFFAOYSA-N -1 1 330.365 2.994 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2c[nH]nc2-c2c(F)cccc2F)n1 ZINC000755464172 575589119 /nfs/dbraw/zinc/58/91/19/575589119.db2.gz RVSGRXUXGPSHOK-UHFFFAOYSA-N -1 1 330.298 2.605 20 30 EFEDMM COc1ccc(NC(=S)NN=Cc2cccc(F)c2[O-])cc1OC ZINC000755531720 575597403 /nfs/dbraw/zinc/59/74/03/575597403.db2.gz IIBYIJFHMIJEDF-UHFFFAOYSA-N -1 1 349.387 2.869 20 30 EFEDMM CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc([O-])c(F)c2)c1 ZINC000755595398 575605439 /nfs/dbraw/zinc/60/54/39/575605439.db2.gz YLANQGHFDLOSAY-FNORWQNLSA-N -1 1 335.356 2.799 20 30 EFEDMM [O-]c1c(Br)cc(O)cc1C=NNc1ccncc1Cl ZINC000755766335 575630032 /nfs/dbraw/zinc/63/00/32/575630032.db2.gz MQTOQJGEKIJMDF-UHFFFAOYSA-N -1 1 342.580 2.777 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000756905809 575799661 /nfs/dbraw/zinc/79/96/61/575799661.db2.gz LDRCBYJKOKYPQZ-UHFFFAOYSA-N -1 1 340.339 2.811 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cn(-c3ccccc3)nn2)c1 ZINC000757473066 575840219 /nfs/dbraw/zinc/84/02/19/575840219.db2.gz MQWORYDZHOKFRF-CLFYSBASSA-N -1 1 335.319 2.567 20 30 EFEDMM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 ZINC000757471409 575840223 /nfs/dbraw/zinc/84/02/23/575840223.db2.gz DKOYQXNLOUUDIH-BAQGIRSFSA-N -1 1 328.320 2.847 20 30 EFEDMM CC(=O)Nc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757474291 575840390 /nfs/dbraw/zinc/84/03/90/575840390.db2.gz RMHMRFHZBGMHDV-XBXARRHUSA-N -1 1 325.320 2.945 20 30 EFEDMM O=c1nc(N=NC2CCC[C@H]2c2ccccc2Cl)nc2[nH][n-]cc1-2 ZINC000758110103 575860030 /nfs/dbraw/zinc/86/00/30/575860030.db2.gz JFYFCUGYQZDXSP-JTQLQIEISA-N -1 1 342.790 2.821 20 30 EFEDMM COC(=O)c1ccc(N=NC2CCCc3oc(C(=O)[O-])c(C)c32)nc1 ZINC000758141435 575861063 /nfs/dbraw/zinc/86/10/63/575861063.db2.gz SIDYUBWLCPYMMN-UHFFFAOYSA-N -1 1 343.339 2.620 20 30 EFEDMM COc1cc2c(cc1CN=Nc1ccc(C(=O)[O-])cc1OC)OCO2 ZINC000758880512 575879358 /nfs/dbraw/zinc/87/93/58/575879358.db2.gz VBIBSYJPPQPOAH-UHFFFAOYSA-N -1 1 344.323 2.577 20 30 EFEDMM O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000759088485 575884284 /nfs/dbraw/zinc/88/42/84/575884284.db2.gz AIKWJYMZCWDLKF-ORCRQEGFSA-N -1 1 330.252 2.810 20 30 EFEDMM CC(C)c1ccc2c(c1)C(=NNc1nc3[nH][n-]cc-3c(=O)n1)CCC2 ZINC000760248636 575995507 /nfs/dbraw/zinc/99/55/07/575995507.db2.gz ICYLZJXPIRWKPA-UHFFFAOYSA-N -1 1 336.399 2.708 20 30 EFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cncnc1 ZINC000761092920 576112509 /nfs/dbraw/zinc/11/25/09/576112509.db2.gz JUHWOIRIYDQGHW-LBPRGKRZSA-N -1 1 335.150 2.745 20 30 EFEDMM C#C[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000761210551 576130113 /nfs/dbraw/zinc/13/01/13/576130113.db2.gz GYKCGNUUHRINKR-AWEZNQCLSA-N -1 1 343.404 2.974 20 30 EFEDMM Cn1ncc2c1nc(N=NC1CCCc3ccc(Cl)cc31)[n-]c2=O ZINC000761266993 576138092 /nfs/dbraw/zinc/13/80/92/576138092.db2.gz MGYFDFMTRYFSLE-UHFFFAOYSA-N -1 1 342.790 2.875 20 30 EFEDMM C=CCCC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000761388566 576153567 /nfs/dbraw/zinc/15/35/67/576153567.db2.gz ZOVNUEYRCSOPTC-UHFFFAOYSA-N -1 1 339.413 2.530 20 30 EFEDMM CC(C)c1ncc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)[n-]1 ZINC000761934872 576231205 /nfs/dbraw/zinc/23/12/05/576231205.db2.gz VQGIFAYDHYDMOD-UHFFFAOYSA-N -1 1 325.777 2.826 20 30 EFEDMM CC(C)c1nc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)c[n-]1 ZINC000761934872 576231208 /nfs/dbraw/zinc/23/12/08/576231208.db2.gz VQGIFAYDHYDMOD-UHFFFAOYSA-N -1 1 325.777 2.826 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CCc3ccc(Cl)cc32)c2ccccc21 ZINC000762446197 576303170 /nfs/dbraw/zinc/30/31/70/576303170.db2.gz FXZOPVPFRAEUSY-UHFFFAOYSA-N -1 1 345.811 2.729 20 30 EFEDMM COc1cc(C(C)N=Nc2ccccc2C(=O)[O-])c(OC)cc1O ZINC000763153686 576364691 /nfs/dbraw/zinc/36/46/91/576364691.db2.gz CNXZUDISJTWBDA-UHFFFAOYSA-N -1 1 330.340 2.944 20 30 EFEDMM CCOc1ccc([N+](=O)[O-])cc1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000763367579 576374401 /nfs/dbraw/zinc/37/44/01/576374401.db2.gz CDLYYEUJVAXNPY-UHFFFAOYSA-N -1 1 330.300 2.533 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNCc2cnc3ccccc3c2)c1 ZINC000764776313 576502258 /nfs/dbraw/zinc/50/22/58/576502258.db2.gz WIZWLVKIDDBDOX-UHFFFAOYSA-N -1 1 335.363 2.851 20 30 EFEDMM N#Cc1cc([N+](=O)[O-])cnc1NCc1cccc(Br)c1[O-] ZINC000764934042 576525776 /nfs/dbraw/zinc/52/57/76/576525776.db2.gz HYAKCCFBAAUMHS-UHFFFAOYSA-N -1 1 349.144 2.942 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNCc3cc(F)ccc3F)n[nH]c2c1 ZINC000765572499 577055346 /nfs/dbraw/zinc/05/53/46/577055346.db2.gz CRTBYOFEICXCPM-UHFFFAOYSA-N -1 1 330.294 2.663 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNc3ccnc4ccccc43)n[nH]c2c1 ZINC000765578451 577056016 /nfs/dbraw/zinc/05/60/16/577056016.db2.gz ZWWKAPZMQJRHQO-UHFFFAOYSA-N -1 1 331.335 2.677 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNCc3cnc4ccccc4c3)n[nH]c2c1 ZINC000765582267 577056282 /nfs/dbraw/zinc/05/62/82/577056282.db2.gz CKSLJHABPLPPPY-UHFFFAOYSA-N -1 1 345.362 2.933 20 30 EFEDMM CC1(C)CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)[C@@H]1C#N ZINC000766110990 577109418 /nfs/dbraw/zinc/10/94/18/577109418.db2.gz HZXJLDNMJVYTJY-CYBMUJFWSA-N -1 1 328.445 2.974 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=CCCOc1ccc(Cl)c(Cl)c1 ZINC000766473227 577155631 /nfs/dbraw/zinc/15/56/31/577155631.db2.gz AGAQRXHFTFEUNA-UHFFFAOYSA-N -1 1 345.211 2.537 20 30 EFEDMM CCCCCCOc1ccc(C=Nn2c(=O)cn[n-]c2=S)cc1 ZINC000766483537 577157162 /nfs/dbraw/zinc/15/71/62/577157162.db2.gz YLLOUYNGQVPDJY-UHFFFAOYSA-N -1 1 332.429 2.768 20 30 EFEDMM N#CCCN(C(=O)c1ccc([O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000767955357 577245090 /nfs/dbraw/zinc/24/50/90/577245090.db2.gz XKXLMBNVUUUEBU-UHFFFAOYSA-N -1 1 342.326 2.863 20 30 EFEDMM CC(=NNc1cc(C#N)cc(Cl)n1)c1cc(C(=O)[O-])ccc1O ZINC000768376463 577269828 /nfs/dbraw/zinc/26/98/28/577269828.db2.gz SXQHLFMNVDFTKT-UHFFFAOYSA-N -1 1 330.731 2.847 20 30 EFEDMM O=C([O-])Cn1cc(C=NNc2c(Cl)cc(Cl)cc2Cl)nn1 ZINC000768487571 577278037 /nfs/dbraw/zinc/27/80/37/577278037.db2.gz YQRXRFURXRBXCV-UHFFFAOYSA-N -1 1 348.577 2.769 20 30 EFEDMM Cc1nc(Cn2ccc(C=N[O-])nc2=O)oc1-c1ccc(Cl)cc1 ZINC000768517318 577279896 /nfs/dbraw/zinc/27/98/96/577279896.db2.gz NOUBWKAUBDJKDP-UHFFFAOYSA-N -1 1 344.758 2.717 20 30 EFEDMM CC(=NNC(=S)NCC(F)(F)F)c1ccc([O-])c(Cl)c1 ZINC000768770013 577300477 /nfs/dbraw/zinc/30/04/77/577300477.db2.gz ZIAWAKKOVIHGFD-UHFFFAOYSA-N -1 1 325.743 2.796 20 30 EFEDMM CC(N=Nc1nccc(N2CCOCC2)n1)c1ccc([O-])c(Cl)c1 ZINC000768775200 577301067 /nfs/dbraw/zinc/30/10/67/577301067.db2.gz ANJYBAZZIGYMRP-UHFFFAOYSA-N -1 1 347.806 2.508 20 30 EFEDMM CC(=NN=C1NS(=O)(=O)c2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000768774339 577301253 /nfs/dbraw/zinc/30/12/53/577301253.db2.gz SMKHFOHJNMJJDH-UHFFFAOYSA-N -1 1 349.799 2.508 20 30 EFEDMM C#CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768864809 577311395 /nfs/dbraw/zinc/31/13/95/577311395.db2.gz CGMYJXUZSYCEFY-CYBMUJFWSA-N -1 1 336.394 2.699 20 30 EFEDMM CC(C[C@H]1CCOC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769808071 577386913 /nfs/dbraw/zinc/38/69/13/577386913.db2.gz AILKKWIWKYNMMW-LLVKDONJSA-N -1 1 332.408 2.501 20 30 EFEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc2c(c1)CCCC2 ZINC000769808707 577386948 /nfs/dbraw/zinc/38/69/48/577386948.db2.gz NDSGMWZQHMKGFG-UHFFFAOYSA-N -1 1 336.399 2.784 20 30 EFEDMM COCC(CC(C)C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769810811 577387104 /nfs/dbraw/zinc/38/71/04/577387104.db2.gz TWBWUEVPHBZWRO-UHFFFAOYSA-N -1 1 334.424 2.747 20 30 EFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000770391541 577414949 /nfs/dbraw/zinc/41/49/49/577414949.db2.gz VCOKGQGMUQWAPU-SNVBAGLBSA-N -1 1 334.210 2.668 20 30 EFEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC[C@@H]2CCOC2)cc1 ZINC000727058880 577432092 /nfs/dbraw/zinc/43/20/92/577432092.db2.gz YIVTZGKJWCRYJA-AWEZNQCLSA-N -1 1 345.424 2.922 20 30 EFEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC[C@H]2CCOC2)cc1 ZINC000727058881 577432109 /nfs/dbraw/zinc/43/21/09/577432109.db2.gz YIVTZGKJWCRYJA-CQSZACIVSA-N -1 1 345.424 2.922 20 30 EFEDMM C[C@H](C#N)COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000770948653 581155452 /nfs/dbraw/zinc/15/54/52/581155452.db2.gz FOZPQYMSVQOMTP-CYBMUJFWSA-N -1 1 344.392 2.804 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000771606467 581226470 /nfs/dbraw/zinc/22/64/70/581226470.db2.gz IRRPORDOPSAIAG-UHFFFAOYSA-N -1 1 343.404 2.824 20 30 EFEDMM O=C([O-])Cc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000772807042 581370552 /nfs/dbraw/zinc/37/05/52/581370552.db2.gz OXYRGUSBGLZBSX-YVMONPNESA-N -1 1 327.292 2.824 20 30 EFEDMM N#Cc1cccc(-c2nnc(COC(=O)c3ccc([O-])cc3F)o2)c1 ZINC000773585381 581448157 /nfs/dbraw/zinc/44/81/57/581448157.db2.gz TYFNFCQNUXAJLK-UHFFFAOYSA-N -1 1 339.282 2.810 20 30 EFEDMM COc1c(Br)cccc1C=NNc1nc(C)cc(=O)[n-]1 ZINC000774303572 581489215 /nfs/dbraw/zinc/48/92/15/581489215.db2.gz XTZMUODLFIGVQJ-UHFFFAOYSA-N -1 1 337.177 2.708 20 30 EFEDMM CCCc1cccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000774391604 581490736 /nfs/dbraw/zinc/49/07/36/581490736.db2.gz BROZPGZOYRMCTC-UHFFFAOYSA-N -1 1 347.396 2.860 20 30 EFEDMM O=C([O-])c1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000819687156 597299687 /nfs/dbraw/zinc/29/96/87/597299687.db2.gz IZBDMIMULTZTHR-UHFFFAOYSA-N -1 1 340.379 2.772 20 30 EFEDMM C=CCCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000735412459 599466668 /nfs/dbraw/zinc/46/66/68/599466668.db2.gz BOKGKBJBRBFLOT-UHFFFAOYSA-N -1 1 340.387 2.597 20 30 EFEDMM C=CCCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000735412459 599466670 /nfs/dbraw/zinc/46/66/70/599466670.db2.gz BOKGKBJBRBFLOT-UHFFFAOYSA-N -1 1 340.387 2.597 20 30 EFEDMM C[C@H](CN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC000736203957 600362410 /nfs/dbraw/zinc/36/24/10/600362410.db2.gz WTFZCUJQBLARHY-QWHCGFSZSA-N -1 1 349.456 2.529 20 30 EFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000736203954 600362716 /nfs/dbraw/zinc/36/27/16/600362716.db2.gz WTFZCUJQBLARHY-OLZOCXBDSA-N -1 1 349.456 2.529 20 30 EFEDMM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000736493743 600594154 /nfs/dbraw/zinc/59/41/54/600594154.db2.gz CYKNUKYBWQKIMH-QGZVFWFLSA-N -1 1 325.368 2.656 20 30 EFEDMM N#Cc1ccc([C@H](N[C@@H](Cn2cccn2)c2ccccc2)C(=O)[O-])cc1 ZINC000739108689 600799765 /nfs/dbraw/zinc/79/97/65/600799765.db2.gz WHKUJPOJWQBFBW-OALUTQOASA-N -1 1 346.390 2.912 20 30 EFEDMM N#Cc1ccc([C@@H](N[C@@H](Cn2cccn2)c2ccccc2)C(=O)[O-])cc1 ZINC000739108691 600799880 /nfs/dbraw/zinc/79/98/80/600799880.db2.gz WHKUJPOJWQBFBW-RBUKOAKNSA-N -1 1 346.390 2.912 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000737506225 601031309 /nfs/dbraw/zinc/03/13/09/601031309.db2.gz MWYLLZUVLWTQSP-DZBQEORWSA-N -1 1 342.439 2.664 20 30 EFEDMM N#C[C@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833064932 601139721 /nfs/dbraw/zinc/13/97/21/601139721.db2.gz PABWNTSUBOPMGD-RTBURBONSA-N -1 1 335.407 2.695 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)[nH]c21 ZINC000832975573 601240063 /nfs/dbraw/zinc/24/00/63/601240063.db2.gz DGRMMNZLSOCXBN-RWMBFGLXSA-N -1 1 325.368 2.939 20 30 EFEDMM CCC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828574100 601300854 /nfs/dbraw/zinc/30/08/54/601300854.db2.gz IXAWXUBFXYIOIS-GOSISDBHSA-N -1 1 337.379 2.822 20 30 EFEDMM CN(Cc1ccc([S@](C)=O)cc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830841339 601323543 /nfs/dbraw/zinc/32/35/43/601323543.db2.gz ZZXOYVSNZZNPEX-OSPHWJPCSA-N -1 1 342.420 2.553 20 30 EFEDMM C=CCSc1nc2ccccc2n1CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000825702115 601370736 /nfs/dbraw/zinc/37/07/36/601370736.db2.gz FCXVDSYUGYWJRW-INIZCTEOSA-N -1 1 335.404 2.771 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000830894542 601945199 /nfs/dbraw/zinc/94/51/99/601945199.db2.gz MIXSONGXIHFTGY-OWMRDYPQSA-N -1 1 342.439 2.664 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000825702137 601952808 /nfs/dbraw/zinc/95/28/08/601952808.db2.gz FQHAZADCFPFZJP-KRWDZBQOSA-N -1 1 334.441 2.700 20 30 EFEDMM COc1cc(OC)cc([C@@H](NCc2ccc(C#N)cc2F)C(=O)[O-])c1 ZINC000832056942 602171592 /nfs/dbraw/zinc/17/15/92/602171592.db2.gz KXTPZGDZNYYDCZ-QGZVFWFLSA-N -1 1 344.342 2.630 20 30 EFEDMM N#Cc1ccc([C@@H](NCc2cccc3c2OCCCO3)C(=O)[O-])cc1 ZINC000833071464 604400595 /nfs/dbraw/zinc/40/05/95/604400595.db2.gz GCMOKZDLEIIBOU-QGZVFWFLSA-N -1 1 338.363 2.635 20 30 EFEDMM N#Cc1cccc([C@@H](NCc2cccc3c2OCCCO3)C(=O)[O-])c1 ZINC000833076233 604401227 /nfs/dbraw/zinc/40/12/27/604401227.db2.gz SCGOPBFMIGONPB-QGZVFWFLSA-N -1 1 338.363 2.635 20 30 EFEDMM CCn1cc(C2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)cn1 ZINC000833682854 604607343 /nfs/dbraw/zinc/60/73/43/604607343.db2.gz WDKIOQKAEPGRAV-UHFFFAOYSA-N -1 1 338.411 2.852 20 30 EFEDMM C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409557 604928465 /nfs/dbraw/zinc/92/84/65/604928465.db2.gz OSJIYVDCOIVEPT-ZFWWWQNUSA-N -1 1 343.427 2.708 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833697877 604967898 /nfs/dbraw/zinc/96/78/98/604967898.db2.gz MPTHHMKJLKNFJI-HIXWQLQUSA-N -1 1 342.439 2.806 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833697875 604968379 /nfs/dbraw/zinc/96/83/79/604968379.db2.gz MPTHHMKJLKNFJI-CRRKTRLDSA-N -1 1 342.439 2.806 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833378135 604969050 /nfs/dbraw/zinc/96/90/50/604969050.db2.gz KFXYDKDNEHUWIN-ZDUSSCGKSA-N -1 1 334.441 2.842 20 30 EFEDMM C#CC[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccccc1 ZINC000833360622 605133960 /nfs/dbraw/zinc/13/39/60/605133960.db2.gz MWOSVJUJRZZESG-CYBMUJFWSA-N -1 1 328.393 2.739 20 30 EFEDMM C(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2nn[n-]n2)s1 ZINC000819718480 606366928 /nfs/dbraw/zinc/36/69/28/606366928.db2.gz JAKVZXMTZSKALH-UHFFFAOYSA-N -1 1 327.398 2.984 20 30 EFEDMM COc1ccc2c(c1)OC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821849967 606429425 /nfs/dbraw/zinc/42/94/25/606429425.db2.gz UIYMEXBFTADLEW-GHXNOFRVSA-N -1 1 326.337 2.553 20 30 EFEDMM CCCCCCCCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821051151 606697125 /nfs/dbraw/zinc/69/71/25/606697125.db2.gz YPDFHUBPFYGGHS-UHFFFAOYSA-N -1 1 348.455 2.862 20 30 EFEDMM CCCCCCCCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821051151 606697126 /nfs/dbraw/zinc/69/71/26/606697126.db2.gz YPDFHUBPFYGGHS-UHFFFAOYSA-N -1 1 348.455 2.862 20 30 EFEDMM N#Cc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c(F)c1 ZINC000822832959 607128782 /nfs/dbraw/zinc/12/87/82/607128782.db2.gz KKDYIBVWRHOLTE-UHFFFAOYSA-N -1 1 333.286 2.613 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826380403 607901128 /nfs/dbraw/zinc/90/11/28/607901128.db2.gz ZJSXVSVANUJOFE-HOCLYGCPSA-N -1 1 331.383 2.538 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826380403 607901129 /nfs/dbraw/zinc/90/11/29/607901129.db2.gz ZJSXVSVANUJOFE-HOCLYGCPSA-N -1 1 331.383 2.538 20 30 EFEDMM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC ZINC000826214905 608093491 /nfs/dbraw/zinc/09/34/91/608093491.db2.gz ANTQIKCVKHRPDW-SREVYHEPSA-N -1 1 342.380 2.842 20 30 EFEDMM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC ZINC000826214905 608093492 /nfs/dbraw/zinc/09/34/92/608093492.db2.gz ANTQIKCVKHRPDW-SREVYHEPSA-N -1 1 342.380 2.842 20 30 EFEDMM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000826044635 608093506 /nfs/dbraw/zinc/09/35/06/608093506.db2.gz ILPRKYJBFHCOLX-HWKANZROSA-N -1 1 337.408 2.817 20 30 EFEDMM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000826044635 608093507 /nfs/dbraw/zinc/09/35/07/608093507.db2.gz ILPRKYJBFHCOLX-HWKANZROSA-N -1 1 337.408 2.817 20 30 EFEDMM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400541 608093677 /nfs/dbraw/zinc/09/36/77/608093677.db2.gz BAMUDCGDOIFLJF-SNAWJCMRSA-N -1 1 340.364 2.596 20 30 EFEDMM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400541 608093678 /nfs/dbraw/zinc/09/36/78/608093678.db2.gz BAMUDCGDOIFLJF-SNAWJCMRSA-N -1 1 340.364 2.596 20 30 EFEDMM CC[C@H]1C[C@H](CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184827 609517217 /nfs/dbraw/zinc/51/72/17/609517217.db2.gz ZWQBCDAISYZVFT-MNOVXSKESA-N -1 1 347.423 2.755 20 30 EFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C(=O)[O-])o1 ZINC001272765251 1257685414 /nfs/dbraw/zinc/68/54/14/1257685414.db2.gz WSSZOHAGNHQOKE-GOSISDBHSA-N -1 1 332.400 2.511 20 30 EFEDMM C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168595695 1258377368 /nfs/dbraw/zinc/37/73/68/1258377368.db2.gz LFBVWTILSWRBOA-OAHLLOKOSA-N -1 1 326.333 2.531 20 30 EFEDMM C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168595694 1258378080 /nfs/dbraw/zinc/37/80/80/1258378080.db2.gz LFBVWTILSWRBOA-HNNXBMFYSA-N -1 1 326.333 2.531 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000730996478 1264508681 /nfs/dbraw/zinc/50/86/81/1264508681.db2.gz SIUNTQUKJFADLZ-CYBMUJFWSA-N -1 1 343.404 2.823 20 30 EFEDMM C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066076746 1266551085 /nfs/dbraw/zinc/55/10/85/1266551085.db2.gz HLOIOUIUSZMFGW-CABCVRRESA-N -1 1 345.443 2.500 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000734417043 1266966565 /nfs/dbraw/zinc/96/65/65/1266966565.db2.gz ZUWCKPQLJYGEMP-UHFFFAOYSA-N -1 1 346.364 2.716 20 30 EFEDMM O=c1nc(NN=C2CCCCc3ccc(Cl)cc32)nc2[nH][n-]cc1-2 ZINC000735229791 1267232096 /nfs/dbraw/zinc/23/20/96/1267232096.db2.gz RGCKEDPAGCGQKJ-UHFFFAOYSA-N -1 1 342.790 2.628 20 30 EFEDMM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1 ZINC000791771599 1278318122 /nfs/dbraw/zinc/31/81/22/1278318122.db2.gz PCJAQNNTZWCYJT-JTQLQIEISA-N -1 1 345.790 2.648 20 30 EFEDMM CCCCCCCCC/C=C\C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000736448067 1267616211 /nfs/dbraw/zinc/61/62/11/1267616211.db2.gz JLJVKDAXWKAVPR-JQPIKURYSA-N -1 1 335.452 2.797 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C ZINC000740810241 1269117281 /nfs/dbraw/zinc/11/72/81/1269117281.db2.gz SMBQUEOEBGYCJW-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000740810921 1269118689 /nfs/dbraw/zinc/11/86/89/1269118689.db2.gz GRDQDNROHHXZLJ-UHFFFAOYSA-N -1 1 345.380 2.846 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)=O)cs2)cc1 ZINC000741111605 1269310248 /nfs/dbraw/zinc/31/02/48/1269310248.db2.gz SZEGMNPRCLNLCD-CQSZACIVSA-N -1 1 342.376 2.920 20 30 EFEDMM COc1ccc(C(=O)[N-]C(=O)CSc2ccc(C#N)cc2F)cc1 ZINC000741447965 1269531069 /nfs/dbraw/zinc/53/10/69/1269531069.db2.gz RZCYGKGQNJIVKA-UHFFFAOYSA-N -1 1 344.367 2.755 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 ZINC000741648610 1269633384 /nfs/dbraw/zinc/63/33/84/1269633384.db2.gz LTRYXRCHAFNPDT-UHFFFAOYSA-N -1 1 349.795 2.909 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000741811456 1269706624 /nfs/dbraw/zinc/70/66/24/1269706624.db2.gz XLBWUPHGRPQLFF-UHFFFAOYSA-N -1 1 347.382 2.693 20 30 EFEDMM C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066370792 1269739173 /nfs/dbraw/zinc/73/91/73/1269739173.db2.gz FVGGNRBUEXTZLF-AWEZNQCLSA-N -1 1 345.443 2.500 20 30 EFEDMM C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429840 1270343048 /nfs/dbraw/zinc/34/30/48/1270343048.db2.gz VACNGPHUHHYCGO-HUUCEWRRSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1ccccc1C1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1 ZINC000743435638 1270588758 /nfs/dbraw/zinc/58/87/58/1270588758.db2.gz LRMFHQQDXABQRH-UHFFFAOYSA-N -1 1 339.420 2.967 20 30 EFEDMM C#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000744179472 1270917113 /nfs/dbraw/zinc/91/71/13/1270917113.db2.gz DKALXWOVLBWJIS-AWEZNQCLSA-N -1 1 343.404 2.974 20 30 EFEDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2OCC#N)c1 ZINC000744854747 1271208826 /nfs/dbraw/zinc/20/88/26/1271208826.db2.gz XEKKCDSENWQZKD-UHFFFAOYSA-N -1 1 339.347 2.897 20 30 EFEDMM COc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1SC ZINC000746340571 1272066338 /nfs/dbraw/zinc/06/63/38/1272066338.db2.gz LFXNPQDHQGRZBQ-DQOPKJQZSA-N -1 1 332.377 2.645 20 30 EFEDMM C[C@@H](C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1)NC(=O)OC(C)(C)C ZINC000843933782 1278685724 /nfs/dbraw/zinc/68/57/24/1278685724.db2.gz GQRJWMMDACGMOA-RYUDHWBXSA-N -1 1 347.415 2.685 20 30 EFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NC(C)=CC(=O)OC(C)C)n1 ZINC001156509165 1273617759 /nfs/dbraw/zinc/61/77/59/1273617759.db2.gz KVTQOHGHRWQXNB-ZYOIHOCMSA-N -1 1 344.824 2.927 20 30 EFEDMM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000792476631 1278799520 /nfs/dbraw/zinc/79/95/20/1278799520.db2.gz TWKWLFRFXMAIIF-GFCCVEGCSA-N -1 1 326.743 2.633 20 30 EFEDMM Cc1ccc(C(=O)OCC#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000785491467 1275100014 /nfs/dbraw/zinc/10/00/14/1275100014.db2.gz LXTQAEARTVGDPC-UHFFFAOYSA-N -1 1 348.355 2.615 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1csc(Cl)c1 ZINC000787151384 1275687676 /nfs/dbraw/zinc/68/76/76/1275687676.db2.gz CMYNRCXDUGSOPX-UHFFFAOYSA-N -1 1 339.829 2.864 20 30 EFEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccccc1OCC(=O)[O-] ZINC000746680469 1275760487 /nfs/dbraw/zinc/76/04/87/1275760487.db2.gz VZMMIPDDRYFADM-UHFFFAOYSA-N -1 1 345.311 2.513 20 30 EFEDMM C=C(Br)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787955772 1275983976 /nfs/dbraw/zinc/98/39/76/1275983976.db2.gz NWDGBNQGHHJTGB-UHFFFAOYSA-N -1 1 341.136 2.782 20 30 EFEDMM N#Cc1cc(C(F)(F)F)cnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170317033 1279012363 /nfs/dbraw/zinc/01/23/63/1279012363.db2.gz WGGAVHIMNYUIKE-UHFFFAOYSA-N -1 1 337.257 2.678 20 30 EFEDMM C#CCSCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000788900303 1276392886 /nfs/dbraw/zinc/39/28/86/1276392886.db2.gz KYAXBVHHXRXDTN-UHFFFAOYSA-N -1 1 342.244 2.777 20 30 EFEDMM COc1cccc(S([O-])=CC(=O)O[C@H](C#N)C2CCCCC2)c1 ZINC000820780888 1277326725 /nfs/dbraw/zinc/32/67/25/1277326725.db2.gz YSTLHQZCFROUCC-MWTRTKDXSA-N -1 1 335.425 2.818 20 30 EFEDMM [O-]/N=C/c1cc(NC2CN(c3ncccn3)C2)cc(C(F)(F)F)c1 ZINC001170130218 1277355263 /nfs/dbraw/zinc/35/52/63/1277355263.db2.gz POHVPHMVOHMCDH-QPSGOUHRSA-N -1 1 337.305 2.604 20 30 EFEDMM CCOC(=O)c1nn(C)cc1/C=C/C(=O)c1c(C)cc(C)cc1[O-] ZINC000792905374 1279257531 /nfs/dbraw/zinc/25/75/31/1279257531.db2.gz MAIXIBBHBZJFPV-VOTSOKGWSA-N -1 1 328.368 2.815 20 30 EFEDMM O=c1[n-]c(=S)[nH]c(Nc2ccncc2F)c1N=Cc1ccccc1 ZINC001175198006 1287341724 /nfs/dbraw/zinc/34/17/24/1287341724.db2.gz FDZCNHAHXDIFII-UFWORHAWSA-N -1 1 341.371 2.921 20 30 EFEDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1F ZINC000793428379 1279641135 /nfs/dbraw/zinc/64/11/35/1279641135.db2.gz AUABYPKFBSKXCY-VIFPVBQESA-N -1 1 338.335 2.691 20 30 EFEDMM C=CCOCc1ncn2c1CN(Cc1c(F)cc([O-])cc1F)CCC2 ZINC001144544816 1279784263 /nfs/dbraw/zinc/78/42/63/1279784263.db2.gz ILCSTCKMHBBKHZ-UHFFFAOYSA-N -1 1 349.381 2.975 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000805007637 1280426960 /nfs/dbraw/zinc/42/69/60/1280426960.db2.gz OSWRXVRSYLIDLC-UHFFFAOYSA-N -1 1 333.690 2.755 20 30 EFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000805081375 1280447290 /nfs/dbraw/zinc/44/72/90/1280447290.db2.gz UUMHCRFWZBDLKV-SECBINFHSA-N -1 1 339.310 2.805 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806493303 1281071323 /nfs/dbraw/zinc/07/13/23/1281071323.db2.gz SPESYATVARFTMZ-UHFFFAOYSA-N -1 1 327.413 2.623 20 30 EFEDMM Cc1nn(C)c2ncc(/C=C/C(=O)c3ccc(C(=O)[O-])cc3O)cc12 ZINC000806559415 1281096571 /nfs/dbraw/zinc/09/65/71/1281096571.db2.gz AVDCMFMQEXQGRX-ZZXKWVIFSA-N -1 1 337.335 2.577 20 30 EFEDMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000807701648 1281393983 /nfs/dbraw/zinc/39/39/83/1281393983.db2.gz NPSMNVLHBMNNJJ-UHFFFAOYSA-N -1 1 325.250 2.726 20 30 EFEDMM COc1cccc(C(=O)Nc2cnc(C#N)c(C(F)(F)F)c2)c1[O-] ZINC001148197720 1281436860 /nfs/dbraw/zinc/43/68/60/1281436860.db2.gz ZEKBNPFTWDUYOV-UHFFFAOYSA-N -1 1 337.257 2.939 20 30 EFEDMM CC(C)(C)CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cscn1 ZINC000807972562 1281473692 /nfs/dbraw/zinc/47/36/92/1281473692.db2.gz NAHUPDXNUITFCY-UHFFFAOYSA-N -1 1 345.432 2.531 20 30 EFEDMM CCCC1N=NC(=S)N1N=Cc1cccc(Br)c1[O-] ZINC000808008520 1281492416 /nfs/dbraw/zinc/49/24/16/1281492416.db2.gz VBKNEKGPAJFDEC-UHFFFAOYSA-N -1 1 341.234 2.870 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000808089906 1281531840 /nfs/dbraw/zinc/53/18/40/1281531840.db2.gz SQJFTAZLMBAJBP-UHFFFAOYSA-N -1 1 336.800 2.856 20 30 EFEDMM C#CC1(NC(=O)c2cc([O-])c(Br)c(O)c2)CCCCC1 ZINC001148999134 1281828141 /nfs/dbraw/zinc/82/81/41/1281828141.db2.gz WYOXMZMYBQHTJN-UHFFFAOYSA-N -1 1 338.201 2.926 20 30 EFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)N=S(=O)(CC)CC)c1 ZINC000872350813 1287547604 /nfs/dbraw/zinc/54/76/04/1287547604.db2.gz GLOFMPCAAXCCFR-UHFFFAOYSA-N -1 1 346.474 2.806 20 30 EFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NOC[C@@H]2CCOC2)cs1 ZINC000872368574 1287553517 /nfs/dbraw/zinc/55/35/17/1287553517.db2.gz YWWDLUPAQZTISG-SNVBAGLBSA-N -1 1 327.406 2.877 20 30 EFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NOC[C@H]2CCOC2)cs1 ZINC000872368573 1287553991 /nfs/dbraw/zinc/55/39/91/1287553991.db2.gz YWWDLUPAQZTISG-JTQLQIEISA-N -1 1 327.406 2.877 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000809629233 1282349559 /nfs/dbraw/zinc/34/95/59/1282349559.db2.gz IUYXYKFOLMGWMI-ZDUSSCGKSA-N -1 1 349.390 2.882 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000809680937 1282401390 /nfs/dbraw/zinc/40/13/90/1282401390.db2.gz RFJGGIVPPDINQW-QGZVFWFLSA-N -1 1 335.363 2.875 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2cc3ccccc3s2)c1 ZINC000809717371 1282424512 /nfs/dbraw/zinc/42/45/12/1282424512.db2.gz GVQSWEUWQVDUHM-HNNXBMFYSA-N -1 1 338.388 2.942 20 30 EFEDMM N#Cc1cccc(-c2nc([N-]C(=O)c3ncc(Cl)s3)n[nH]2)c1 ZINC001649155347 1283372361 /nfs/dbraw/zinc/37/23/61/1283372361.db2.gz YDEQHRDMGLJLBV-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(-c3ccccn3)c2)c(=O)o1 ZINC000747698085 1284238451 /nfs/dbraw/zinc/23/84/51/1284238451.db2.gz HHBKUYXMBMMNIH-OLHLWXQYSA-N -1 1 333.343 2.977 20 30 EFEDMM [O-]c1c(O)cc(C=NNC[C@H]2CCSC2)cc1Br ZINC000811657984 1284464384 /nfs/dbraw/zinc/46/43/84/1284464384.db2.gz UPTSKAQTXJMCQW-MRVPVSSYSA-N -1 1 331.235 2.537 20 30 EFEDMM Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)cccc1N(C)C ZINC000811826013 1284690501 /nfs/dbraw/zinc/69/05/01/1284690501.db2.gz RNFKJWLVXQMQNH-UHFFFAOYSA-N -1 1 329.425 2.928 20 30 EFEDMM C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC000747754351 1284778163 /nfs/dbraw/zinc/77/81/63/1284778163.db2.gz WISINFVOFOUBFS-VXGBXAGGSA-N -1 1 339.417 2.826 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1coc2ccccc12 ZINC000747753525 1284782843 /nfs/dbraw/zinc/78/28/43/1284782843.db2.gz QVOLKARNRCPATI-UHFFFAOYSA-N -1 1 339.376 2.896 20 30 EFEDMM COC(=O)C12CCC(C(=O)Nc3ccc(C#N)cc3[O-])(CC1)CC2 ZINC001179002740 1289018504 /nfs/dbraw/zinc/01/85/04/1289018504.db2.gz FVHSYDUVESMPFM-UHFFFAOYSA-N -1 1 328.368 2.716 20 30 EFEDMM C#CCO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000812783456 1285415265 /nfs/dbraw/zinc/41/52/65/1285415265.db2.gz PZWNUFODDJDMPY-UHFFFAOYSA-N -1 1 349.365 2.902 20 30 EFEDMM N#Cc1ccncc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000814175514 1286359142 /nfs/dbraw/zinc/35/91/42/1286359142.db2.gz JZIRFPRZHZHEQQ-UHFFFAOYSA-N -1 1 328.803 2.634 20 30 EFEDMM O=c1[n-][nH]c(=O)n1N=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000814233460 1286429080 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CC(=NNCCN1CCCCC1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814808497 1287077135 /nfs/dbraw/zinc/07/71/35/1287077135.db2.gz NDNGTCJLAMHZSF-UHFFFAOYSA-N -1 1 347.459 2.730 20 30 EFEDMM CCN1c2ccc(C)cc2C(=NN=c2[n-]c(-c3cccnc3)no2)C1=O ZINC000814949899 1287180666 /nfs/dbraw/zinc/18/06/66/1287180666.db2.gz XVTRQQLFKBWIQX-UHFFFAOYSA-N -1 1 348.366 2.623 20 30 EFEDMM CCN1c2ccc(C)cc2C(=NN=c2nc(-c3cccnc3)[n-]o2)C1=O ZINC000814949899 1287180671 /nfs/dbraw/zinc/18/06/71/1287180671.db2.gz XVTRQQLFKBWIQX-UHFFFAOYSA-N -1 1 348.366 2.623 20 30 EFEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)o1 ZINC000815909906 1287878990 /nfs/dbraw/zinc/87/89/90/1287878990.db2.gz KWXNIYYSWSWAPG-CYBMUJFWSA-N -1 1 327.340 2.515 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(C(C)=O)c2)cc1 ZINC000815910093 1287879321 /nfs/dbraw/zinc/87/93/21/1287879321.db2.gz PDKZGBXLLNBFDN-CQSZACIVSA-N -1 1 342.376 2.920 20 30 EFEDMM CN1CCN(c2ccc(Nc3csc(C(=O)[O-])c3)cc2C#N)CC1 ZINC001176439297 1287976043 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CCOC[C@@H]1CN(Cc2cc(C#N)ccc2[O-])Cc2cnn(CC)c21 ZINC001232678142 1312759538 /nfs/dbraw/zinc/75/95/38/1312759538.db2.gz WTZDGSULPROFIR-KRWDZBQOSA-N -1 1 340.427 2.616 20 30 EFEDMM N#Cc1ccc([O-])c(CN2CCN(Cc3ccccc3F)CC2)c1 ZINC001232679412 1312759831 /nfs/dbraw/zinc/75/98/31/1312759831.db2.gz JMXKILPEZKMJIP-UHFFFAOYSA-N -1 1 325.387 2.721 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001183276450 1290314801 /nfs/dbraw/zinc/31/48/01/1290314801.db2.gz PGZAUXJYLHQVMG-LLVKDONJSA-N -1 1 345.786 2.717 20 30 EFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC001185836969 1290769211 /nfs/dbraw/zinc/76/92/11/1290769211.db2.gz ZSPAMOXKQRTCNL-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc(F)c([O-])c1F ZINC001232935319 1312812071 /nfs/dbraw/zinc/81/20/71/1312812071.db2.gz IWNROWJFLPXDPN-OAHLLOKOSA-N -1 1 349.381 2.706 20 30 EFEDMM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232936514 1312813309 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CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1sc(C)cc1C#N ZINC001187987178 1291279823 /nfs/dbraw/zinc/27/98/23/1291279823.db2.gz VKNODORBPPKFPU-UHFFFAOYSA-N -1 1 349.437 2.942 20 30 EFEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(C(=O)OC)n1 ZINC001187992963 1291280811 /nfs/dbraw/zinc/28/08/11/1291280811.db2.gz AZPCRQHLHXPVEO-UHFFFAOYSA-N -1 1 328.434 2.970 20 30 EFEDMM COC(=O)n1ncc(C#N)c1NC(=O)c1c(C)ccc(C(C)C)c1[O-] ZINC001188188372 1291326900 /nfs/dbraw/zinc/32/69/00/1291326900.db2.gz XVNLGGYRIQGQJT-UHFFFAOYSA-N -1 1 342.355 2.759 20 30 EFEDMM N#CC[C@@H](CC(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000795980266 1291822561 /nfs/dbraw/zinc/82/25/61/1291822561.db2.gz FUFNYCOVWAVKSD-ZDUSSCGKSA-N -1 1 342.317 2.686 20 30 EFEDMM C#CCCC1(CCNC(=O)c2cnc(-c3ccccc3)[n-]c2=O)N=N1 ZINC001190271036 1292091909 /nfs/dbraw/zinc/09/19/09/1292091909.db2.gz XUGZQWOMGYQOIM-UHFFFAOYSA-N -1 1 335.367 2.545 20 30 EFEDMM N#Cc1cc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1F ZINC001190411024 1292168399 /nfs/dbraw/zinc/16/83/99/1292168399.db2.gz MTKILVJEBANVQL-UHFFFAOYSA-N -1 1 344.289 2.593 20 30 EFEDMM C=CCC1(S(=O)(=O)[N-]c2cc(OC)c(C(F)(F)F)cn2)CC1 ZINC001190777182 1292311524 /nfs/dbraw/zinc/31/15/24/1292311524.db2.gz VLHCTTRWGOULSS-UHFFFAOYSA-N -1 1 336.335 2.959 20 30 EFEDMM CSc1ncc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c(=O)[n-]1 ZINC001191429511 1292540633 /nfs/dbraw/zinc/54/06/33/1292540633.db2.gz NSVZTAKHNANJQV-UHFFFAOYSA-N -1 1 331.401 2.585 20 30 EFEDMM COC(=O)[C@H]1C[C@@H]1c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001192199850 1292816673 /nfs/dbraw/zinc/81/66/73/1292816673.db2.gz NGDGIBXHEKIPLW-CABCVRRESA-N -1 1 336.347 2.793 20 30 EFEDMM COc1cc(C#N)ccc1C(=O)Nc1ncc([O-])cc1Br ZINC001192246371 1292830253 /nfs/dbraw/zinc/83/02/53/1292830253.db2.gz VSDOXMOWHKPSOM-UHFFFAOYSA-N -1 1 348.156 2.682 20 30 EFEDMM N#Cc1ccccc1N1CCN(C(=O)c2cc([O-])cc(F)c2F)CC1 ZINC001192651267 1292956726 /nfs/dbraw/zinc/95/67/26/1292956726.db2.gz DEUOEEQONOGRNZ-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F 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20 30 EFEDMM CSc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cc1Br ZINC001193157857 1293188162 /nfs/dbraw/zinc/18/81/62/1293188162.db2.gz IYFJVHHXEKAWGL-ZETCQYMHSA-N -1 1 335.248 2.825 20 30 EFEDMM Cc1cnc(C(=O)Nc2ccc(C#N)cc2[O-])c(Br)c1 ZINC001193220429 1293199439 /nfs/dbraw/zinc/19/94/39/1293199439.db2.gz YJTYDTKNAJYKOV-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM N#Cc1oc2ccccc2c1NC(=O)c1cccc(OCCO)c1[O-] ZINC001193325210 1293255559 /nfs/dbraw/zinc/25/55/59/1293255559.db2.gz FIEXFWWTVFMGTG-UHFFFAOYSA-N -1 1 338.319 2.633 20 30 EFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 ZINC001193434920 1293309237 /nfs/dbraw/zinc/30/92/37/1293309237.db2.gz QRLGVPKAIIOKKE-UHFFFAOYSA-N -1 1 329.377 2.564 20 30 EFEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC001194261704 1293574540 /nfs/dbraw/zinc/57/45/40/1293574540.db2.gz SKNXSDCJTSHJMV-LBPRGKRZSA-N -1 1 341.314 2.644 20 30 EFEDMM COC(=O)c1cc(C(=O)Nc2ccccc2-c2ccc(C#N)cc2)[n-]n1 ZINC001194288881 1293589939 /nfs/dbraw/zinc/58/99/39/1293589939.db2.gz PWIKFBJNMLTEJM-UHFFFAOYSA-N -1 1 346.346 2.987 20 30 EFEDMM C=C[C@H](Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1)C(=O)OC ZINC001233940098 1313021766 /nfs/dbraw/zinc/02/17/66/1313021766.db2.gz AMDSPAYKNHULFZ-SFHVURJKSA-N -1 1 326.348 2.924 20 30 EFEDMM COc1cc(C#N)c(F)cc1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194783898 1293709772 /nfs/dbraw/zinc/70/97/72/1293709772.db2.gz XFKJMDDBIYTUQP-UHFFFAOYSA-N -1 1 328.225 2.700 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)C2CCC(=O)CC2)c(C(F)(F)F)c1 ZINC001194794267 1293711942 /nfs/dbraw/zinc/71/19/42/1293711942.db2.gz IVUUZSHUNNNGLK-UHFFFAOYSA-N -1 1 346.330 2.830 20 30 EFEDMM COc1cc(C(=O)Nc2ccc(C#N)cc2[O-])cc(Br)n1 ZINC001194987290 1293769184 /nfs/dbraw/zinc/76/91/84/1293769184.db2.gz PHQIRYXZHIIIKF-UHFFFAOYSA-N -1 1 348.156 2.682 20 30 EFEDMM CCNC(=S)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001195310057 1293888388 /nfs/dbraw/zinc/88/83/88/1293888388.db2.gz OTGGFKDMDFKYCR-LZYBPNLTSA-N -1 1 333.442 2.528 20 30 EFEDMM CCOC(=O)NC(=S)[N-]c1ccc(C#N)cc1Br ZINC001195449019 1293921951 /nfs/dbraw/zinc/92/19/51/1293921951.db2.gz ALDZOIBUNPCGTR-UHFFFAOYSA-N -1 1 328.191 2.764 20 30 EFEDMM Cn1cccc1-c1cc(C(=O)[N-]c2nc3ncccc3cc2C#N)no1 ZINC001195987859 1294093953 /nfs/dbraw/zinc/09/39/53/1294093953.db2.gz BSBWQVWZBKBZNA-UHFFFAOYSA-N -1 1 344.334 2.747 20 30 EFEDMM C[C@H]1CC[C@@H](CO)N1C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309043 1294185788 /nfs/dbraw/zinc/18/57/88/1294185788.db2.gz JXAQBHVBYXVRNH-UGSOOPFHSA-N -1 1 336.391 2.916 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCCC34COC4)c2)c1 ZINC001196315480 1294187106 /nfs/dbraw/zinc/18/71/06/1294187106.db2.gz DVIRQYXBQPYTFJ-UHFFFAOYSA-N -1 1 334.375 2.936 20 30 EFEDMM COC(=O)c1ccc([O-])c(NC(=S)Nc2ccccc2C#N)c1 ZINC001196320413 1294196612 /nfs/dbraw/zinc/19/66/12/1294196612.db2.gz PSNDSOBQSYRKDB-UHFFFAOYSA-N -1 1 327.365 2.859 20 30 EFEDMM Cn1ccnc1CCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196328846 1294199254 /nfs/dbraw/zinc/19/92/54/1294199254.db2.gz OESUKRWCGCXPFS-UHFFFAOYSA-N -1 1 346.390 2.637 20 30 EFEDMM Cc1cnc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c(=O)[nH]1 ZINC001196328342 1294199291 /nfs/dbraw/zinc/19/92/91/1294199291.db2.gz DYTVHDIYVQLGCC-UHFFFAOYSA-N -1 1 346.346 2.575 20 30 EFEDMM COC(CN(C)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)OC ZINC001196316319 1294213005 /nfs/dbraw/zinc/21/30/05/1294213005.db2.gz RWPWZMMHFSBFSS-UHFFFAOYSA-N -1 1 340.379 2.622 20 30 EFEDMM C=CCC1(O)CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000884723656 1294233094 /nfs/dbraw/zinc/23/30/94/1294233094.db2.gz SXVWXQNUCYFVPF-UHFFFAOYSA-N -1 1 340.427 2.768 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(O)c(F)c(F)c1 ZINC001196680388 1294315610 /nfs/dbraw/zinc/31/56/10/1294315610.db2.gz LQVXYBWTKSQLPD-UHFFFAOYSA-N -1 1 344.726 2.996 20 30 EFEDMM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1 ZINC001196762528 1294349690 /nfs/dbraw/zinc/34/96/90/1294349690.db2.gz XTSDDDSLBXLVKR-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)c1 ZINC001196763134 1294350342 /nfs/dbraw/zinc/35/03/42/1294350342.db2.gz ORMUPWHFWJBVRA-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)nc2C)c(C)c1 ZINC001196848449 1294383389 /nfs/dbraw/zinc/38/33/89/1294383389.db2.gz KCWYDOYYFRSUBY-UHFFFAOYSA-N -1 1 331.397 2.688 20 30 EFEDMM Cc1noc([N-]C(=O)c2csc(COC(=O)C(C)(C)C)n2)c1C#N ZINC001196997962 1294432205 /nfs/dbraw/zinc/43/22/05/1294432205.db2.gz LXGTUPNCFITYOH-UHFFFAOYSA-N -1 1 348.384 2.653 20 30 EFEDMM CCCCCCCC(=O)c1ccc([O-])c(C(=O)NCc2c[nH]nn2)c1 ZINC001197364699 1294514827 /nfs/dbraw/zinc/51/48/27/1294514827.db2.gz AZMKIHWXXVAQJO-UHFFFAOYSA-N -1 1 344.415 2.984 20 30 EFEDMM CSc1nnc([N-]C(=S)Nc2cccc(C#N)c2)c(SC)n1 ZINC001197675923 1294663729 /nfs/dbraw/zinc/66/37/29/1294663729.db2.gz ZNXLSGZVMKCLRY-UHFFFAOYSA-N -1 1 348.482 2.996 20 30 EFEDMM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(C(=O)[O-])cc1)CCO2 ZINC001204153898 1313092464 /nfs/dbraw/zinc/09/24/64/1313092464.db2.gz FZTVPUBMDDUITM-AZUAARDMSA-N -1 1 345.439 2.959 20 30 EFEDMM N#Cc1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)cn1 ZINC001197725566 1294695564 /nfs/dbraw/zinc/69/55/64/1294695564.db2.gz FQUSWZVQTJHIKG-UHFFFAOYSA-N -1 1 343.195 2.597 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OC(F)(F)F)c(=O)o1 ZINC000137480611 1294786566 /nfs/dbraw/zinc/78/65/66/1294786566.db2.gz YOVRGRVLMXHTDU-PSKZRQQASA-N -1 1 340.253 2.813 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)ccc1Cl ZINC001198147596 1294909512 /nfs/dbraw/zinc/90/95/12/1294909512.db2.gz DZHUYNUFRXREAJ-UHFFFAOYSA-N -1 1 344.783 2.956 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(OC)c2)c(C)c1 ZINC001198951830 1295348659 /nfs/dbraw/zinc/34/86/59/1295348659.db2.gz ZJDWSOGRYSNIJE-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM CC#C[C@H](CC)Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234554921 1313155837 /nfs/dbraw/zinc/15/58/37/1313155837.db2.gz QSSNNQWHMBWCAE-ZDUSSCGKSA-N -1 1 326.352 2.817 20 30 EFEDMM CC#C[C@@H](CC)Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234554917 1313156425 /nfs/dbraw/zinc/15/64/25/1313156425.db2.gz QSSNNQWHMBWCAE-CYBMUJFWSA-N -1 1 326.352 2.817 20 30 EFEDMM COC(=O)c1nc(-c2ccccc2)[n-]c(=O)c1O[C@@H]1CC[C@H](C#N)C1 ZINC001234556860 1313156904 /nfs/dbraw/zinc/15/69/04/1313156904.db2.gz GXQQMCOOFQNYNT-WCQYABFASA-N -1 1 339.351 2.707 20 30 EFEDMM C#C[C@@H](CCC)Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234558496 1313156977 /nfs/dbraw/zinc/15/69/77/1313156977.db2.gz OYFKVYFKNOSDHC-ZDUSSCGKSA-N -1 1 326.352 2.817 20 30 EFEDMM COc1ccccc1-c1ncc(C(=O)Nc2ccc(C#N)cc2[O-])cn1 ZINC001199327028 1295489297 /nfs/dbraw/zinc/48/92/97/1295489297.db2.gz WFIGLCTYGOXUKZ-UHFFFAOYSA-N -1 1 346.346 2.982 20 30 EFEDMM CCC[C@@H](C#Cc1ccccc1)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234560235 1313157535 /nfs/dbraw/zinc/15/75/35/1313157535.db2.gz BWVIKXFMUHNTLY-HNNXBMFYSA-N -1 1 340.379 2.876 20 30 EFEDMM C=C[C@@]1(C)CC[C@@H](Oc2c(C(N)=O)nc(C(C)C)[n-]c2=O)C(C)(C)O1 ZINC001234564232 1313159113 /nfs/dbraw/zinc/15/91/13/1313159113.db2.gz BCYVRANWPYEEIZ-ZMZPIMSZSA-N -1 1 349.431 2.686 20 30 EFEDMM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2c(C(=O)OC)nc(C)[n-]c2=O)O1 ZINC001234565031 1313159968 /nfs/dbraw/zinc/15/99/68/1313159968.db2.gz SQDKYWLBVUWTJR-DIFFPNOSSA-N -1 1 336.388 2.558 20 30 EFEDMM COc1ccccc1Cn1cc(C(=O)Nc2ccc(C#N)cc2[O-])cn1 ZINC001199561002 1295587797 /nfs/dbraw/zinc/58/77/97/1295587797.db2.gz JMRVGLVSSLSOFK-UHFFFAOYSA-N -1 1 348.362 2.770 20 30 EFEDMM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)c(F)cc2C(=O)OC)O1 ZINC001234607766 1313167075 /nfs/dbraw/zinc/16/70/75/1313167075.db2.gz GZUXUXVDDCWSGC-SJKOYZFVSA-N -1 1 339.363 2.994 20 30 EFEDMM N#Cc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)c([O-])c1 ZINC001199730979 1295710869 /nfs/dbraw/zinc/71/08/69/1295710869.db2.gz YWMBVCVHEPIQKO-UHFFFAOYSA-N -1 1 327.365 2.844 20 30 EFEDMM C#CC(C#C)Oc1cc(C[C@@H]2COc3cc([O-])ccc3C2=O)ccc1O ZINC001234716141 1313185826 /nfs/dbraw/zinc/18/58/26/1313185826.db2.gz BAVRFXNKORHMHX-CQSZACIVSA-N -1 1 348.354 2.546 20 30 EFEDMM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Oc1ccccc1C=N[O-])CO2 ZINC001234823665 1313194653 /nfs/dbraw/zinc/19/46/53/1313194653.db2.gz WROAHNNITQSACA-AWEZNQCLSA-N -1 1 348.399 2.652 20 30 EFEDMM C[C@@H](CS)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749687 1313188941 /nfs/dbraw/zinc/18/89/41/1313188941.db2.gz SPQYPSKCQMTLCK-ZETCQYMHSA-N -1 1 334.349 2.760 20 30 EFEDMM O=C([N-]CC#Cc1cccc(C(F)(F)F)c1)C(F)(F)C1(O)CCC1 ZINC000305270414 1296023035 /nfs/dbraw/zinc/02/30/35/1296023035.db2.gz XQWGNPHUAMDLCW-UHFFFAOYSA-N -1 1 347.283 2.723 20 30 EFEDMM N#CCCCN1CC[C@@]2(CCCN2Cc2cc([O-])c(F)c(F)c2)C1=O ZINC001274808104 1296182826 /nfs/dbraw/zinc/18/28/26/1296182826.db2.gz QCCSVGSDCIQTKK-SFHVURJKSA-N -1 1 349.381 2.541 20 30 EFEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201046886 1296562904 /nfs/dbraw/zinc/56/29/04/1296562904.db2.gz RTPVCVMDRDJFJQ-QMMMGPOBSA-N -1 1 335.198 2.559 20 30 EFEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc(C)n1 ZINC001201295424 1296708627 /nfs/dbraw/zinc/70/86/27/1296708627.db2.gz QRPYFAFDSFJUTF-UHFFFAOYSA-N -1 1 331.397 2.770 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc(Cl)n1 ZINC001201294717 1296708661 /nfs/dbraw/zinc/70/86/61/1296708661.db2.gz DNFZPUVMIHCYAF-UHFFFAOYSA-N -1 1 337.788 2.725 20 30 EFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1C ZINC001201315667 1296722452 /nfs/dbraw/zinc/72/24/52/1296722452.db2.gz IACRDDHQAGKOTA-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(C)O)cc1C#N ZINC001201317358 1296723601 /nfs/dbraw/zinc/72/36/01/1296723601.db2.gz QQWKHMBJMLMHCY-UHFFFAOYSA-N -1 1 330.409 2.895 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCC3=O)cc1C#N ZINC001201317044 1296723878 /nfs/dbraw/zinc/72/38/78/1296723878.db2.gz MZKNVZMKDPDOKR-UHFFFAOYSA-N -1 1 326.377 2.796 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1C#N ZINC001201316905 1296724535 /nfs/dbraw/zinc/72/45/35/1296724535.db2.gz HGKJAPMHCVOJPZ-UHFFFAOYSA-N -1 1 341.392 2.552 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)ccc1C(C)=O ZINC001201320310 1296725127 /nfs/dbraw/zinc/72/51/27/1296725127.db2.gz VZDQHPKBDFRENK-UHFFFAOYSA-N -1 1 344.392 2.879 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCO3)cc1C#N ZINC001201323702 1296726817 /nfs/dbraw/zinc/72/68/17/1296726817.db2.gz MIGHGKAKAIYIHO-UHFFFAOYSA-N -1 1 328.393 2.993 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1C#N ZINC001201323567 1296728096 /nfs/dbraw/zinc/72/80/96/1296728096.db2.gz ITMDJYMFOJCWCP-UHFFFAOYSA-N -1 1 329.356 2.873 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc2snnc21 ZINC001201322122 1296728218 /nfs/dbraw/zinc/72/82/18/1296728218.db2.gz DIBSFFCNYVZYDZ-UHFFFAOYSA-N -1 1 344.421 2.981 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2C)OCCO3)cc1C#N ZINC001201323957 1296729529 /nfs/dbraw/zinc/72/95/29/1296729529.db2.gz SEDQXQFVDAKPKM-UHFFFAOYSA-N -1 1 344.392 2.747 20 30 EFEDMM N#Cc1cc(C(F)(F)F)ccc1Nc1c(N)[nH]c(=S)[n-]c1=O ZINC001201691427 1297039458 /nfs/dbraw/zinc/03/94/58/1297039458.db2.gz JYJVUUBZGUXJIE-UHFFFAOYSA-N -1 1 327.291 2.687 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cc(C#N)cs1 ZINC001201773615 1297070459 /nfs/dbraw/zinc/07/04/59/1297070459.db2.gz VOONTQUMAXELAC-UHFFFAOYSA-N -1 1 333.847 2.517 20 30 EFEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccnc(C#N)c2)c(C)c1C ZINC001201792569 1297079209 /nfs/dbraw/zinc/07/92/09/1297079209.db2.gz LAKQLSCQGNPLKU-UHFFFAOYSA-N -1 1 329.425 2.718 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N=c2ccccn2Cc2ccccc2)c1 ZINC000776317047 1297528243 /nfs/dbraw/zinc/52/82/43/1297528243.db2.gz WLXSAFGKFVXJHY-UHFFFAOYSA-N -1 1 329.359 2.855 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)c(C)c1 ZINC000048476087 1297757728 /nfs/dbraw/zinc/75/77/28/1297757728.db2.gz SBCICOVGZPMHKN-UHFFFAOYSA-N -1 1 329.381 2.873 20 30 EFEDMM CN(C)S(=O)(=O)c1ccccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001236244262 1313460730 /nfs/dbraw/zinc/46/07/30/1313460730.db2.gz KSZKSPDNHPBPOR-VLGSPTGOSA-N -1 1 330.409 2.728 20 30 EFEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCC(C)(C)C#N ZINC000776381644 1298215582 /nfs/dbraw/zinc/21/55/82/1298215582.db2.gz XDXYOSRFRRFKIS-UHFFFAOYSA-N -1 1 338.429 2.935 20 30 EFEDMM CCOC(=O)c1c([N-]c2ccnc(C#N)c2)onc1-c1ccccc1 ZINC001206607448 1313482858 /nfs/dbraw/zinc/48/28/58/1313482858.db2.gz ROZMPKORYQXQNJ-UHFFFAOYSA-N -1 1 334.335 2.950 20 30 EFEDMM O=S(=O)(NC1CC1)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001236462629 1313483792 /nfs/dbraw/zinc/48/37/92/1313483792.db2.gz RQUKGYXUGRSJEA-VCHYOVAHSA-N -1 1 334.372 2.742 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000108250172 1298493303 /nfs/dbraw/zinc/49/33/03/1298493303.db2.gz LWHUIIPVXTXMNO-UHFFFAOYSA-N -1 1 331.393 2.816 20 30 EFEDMM N#Cc1ccc(O)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000084407619 1298780057 /nfs/dbraw/zinc/78/00/57/1298780057.db2.gz QQMQTZJPRHMEDU-UHFFFAOYSA-N -1 1 338.298 2.547 20 30 EFEDMM C=CCN(CC(=O)OCC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776486603 1299311680 /nfs/dbraw/zinc/31/16/80/1299311680.db2.gz GSOSCDMPHDCPPC-UHFFFAOYSA-N -1 1 331.290 2.602 20 30 EFEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C[C@@H]1CC1(Cl)Cl)nc2=O ZINC000853306046 1300081592 /nfs/dbraw/zinc/08/15/92/1300081592.db2.gz IUFNSRQUAOGBKT-ZETCQYMHSA-N -1 1 343.218 2.878 20 30 EFEDMM C#C[C@@H]1CCC[N@H+](Cc2cccc(I)c2O)C1 ZINC001237781044 1313704874 /nfs/dbraw/zinc/70/48/74/1313704874.db2.gz RDGSLFDWSDNNPN-LLVKDONJSA-N -1 1 341.192 2.842 20 30 EFEDMM C[C@@]1(C#N)CCN(Cc2cccc(I)c2[O-])C1 ZINC001237788827 1313706001 /nfs/dbraw/zinc/70/60/01/1313706001.db2.gz OSIGWBAGOZLAQG-ZDUSSCGKSA-N -1 1 342.180 2.732 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)OCC)c2)c1 ZINC000795289518 1300632863 /nfs/dbraw/zinc/63/28/63/1300632863.db2.gz IGVUPKOGLSOEJW-UHFFFAOYSA-N -1 1 343.404 2.574 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)c1 ZINC000795289434 1300634837 /nfs/dbraw/zinc/63/48/37/1300634837.db2.gz HCHYLRUEKXVZPK-UHFFFAOYSA-N -1 1 343.404 2.954 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(SC)o2)c1 ZINC000112483843 1300655825 /nfs/dbraw/zinc/65/58/25/1300655825.db2.gz 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CC(=O)n1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC001258131807 1316123070 /nfs/dbraw/zinc/12/30/70/1316123070.db2.gz CTLYNNGLFZROSS-UHFFFAOYSA-N -1 1 339.376 2.974 20 30 EFEDMM COC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC001258135883 1316123604 /nfs/dbraw/zinc/12/36/04/1316123604.db2.gz JPOOJDFRAXSDGY-IZZDOVSWSA-N -1 1 342.376 2.545 20 30 EFEDMM COC(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258136310 1316123778 /nfs/dbraw/zinc/12/37/78/1316123778.db2.gz UBHSSLRKBROOTK-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COC(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)OC ZINC001258136504 1316124042 /nfs/dbraw/zinc/12/40/42/1316124042.db2.gz ZMLHCRGDLVOZJE-UHFFFAOYSA-N -1 1 346.408 2.520 20 30 EFEDMM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258273576 1316135837 /nfs/dbraw/zinc/13/58/37/1316135837.db2.gz KRGVGDRXPDCDPD-UHFFFAOYSA-N -1 1 348.355 2.675 20 30 EFEDMM C[C@@](C#N)([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1Cl ZINC001258312635 1316139033 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N#Cc1cc(S(=O)(=O)[N-]c2ccccc2C2OCCO2)ccc1F ZINC001259418999 1316240205 /nfs/dbraw/zinc/24/02/05/1316240205.db2.gz BYDIPLRBFLWOKO-UHFFFAOYSA-N -1 1 348.355 2.544 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(CO)c2)ccc1F ZINC001259418631 1316240391 /nfs/dbraw/zinc/24/03/91/1316240391.db2.gz IUKBNZPHFXYKCS-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1C(C)=O ZINC001259418607 1316240441 /nfs/dbraw/zinc/24/04/41/1316240441.db2.gz HQWLTGSIQHFDBM-UHFFFAOYSA-N -1 1 348.355 2.709 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc2snnc21 ZINC001259419180 1316240510 /nfs/dbraw/zinc/24/05/10/1316240510.db2.gz MNIJKQLMAWUDRT-UHFFFAOYSA-N -1 1 348.384 2.811 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)ccc1O ZINC001259445629 1316244060 /nfs/dbraw/zinc/24/40/60/1316244060.db2.gz NGRFRFYVYMVAJF-UHFFFAOYSA-N -1 1 340.307 2.666 20 30 EFEDMM C#CCCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)N=N1 ZINC001259462972 1316246503 /nfs/dbraw/zinc/24/65/03/1316246503.db2.gz HACPPXPYXPLUDQ-UHFFFAOYSA-N -1 1 329.784 2.723 20 30 EFEDMM N#Cc1c(F)cc([N-]S(=O)(=O)CCc2cccc(F)c2)cc1F ZINC001259774396 1316276356 /nfs/dbraw/zinc/27/63/56/1316276356.db2.gz VARUTVWWUCWUQD-UHFFFAOYSA-N -1 1 340.326 2.960 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1c2ccc(OC)cc2sc1C(=O)OC ZINC001259923113 1316298589 /nfs/dbraw/zinc/29/85/89/1316298589.db2.gz SMXGCKKREIWBAC-UHFFFAOYSA-N -1 1 341.410 2.624 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(C)=O ZINC001259931049 1316298955 /nfs/dbraw/zinc/29/89/55/1316298955.db2.gz OTWQXVOPDMPCHI-UHFFFAOYSA-N -1 1 336.182 2.719 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1cc(C)c(Br)cc1C(C)=O ZINC001259932032 1316299558 /nfs/dbraw/zinc/29/95/58/1316299558.db2.gz OTNDKWXGZYTOPM-UHFFFAOYSA-N -1 1 332.219 2.888 20 30 EFEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(-c2cnco2)s1)c1ccccc1 ZINC001259987545 1316303545 /nfs/dbraw/zinc/30/35/45/1316303545.db2.gz CFCANQWBVHGXFY-LBPRGKRZSA-N -1 1 345.405 2.946 20 30 EFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)cc1 ZINC001260238785 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COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2cccc(C)c2C)c1 ZINC001260998964 1316382861 /nfs/dbraw/zinc/38/28/61/1316382861.db2.gz NQLBZLAGBGXPLY-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM CC#CC[C@@H](NCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC001262164922 1316450713 /nfs/dbraw/zinc/45/07/13/1316450713.db2.gz ZNXDLWVJWRIPNH-OAHLLOKOSA-N -1 1 331.803 2.541 20 30 EFEDMM CSc1nc([O-])c(C(=O)N=c2cc[nH]c3ccccc32)cc1C#N ZINC001264465413 1316618256 /nfs/dbraw/zinc/61/82/56/1316618256.db2.gz AZWFAJIEEUCJHZ-UHFFFAOYSA-N -1 1 336.376 2.603 20 30 EFEDMM CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)cc1[O-] ZINC001279498243 1317277975 /nfs/dbraw/zinc/27/79/75/1317277975.db2.gz YYDHFKVMEURDRR-OTWHNJEPSA-N -1 1 349.434 2.571 20 30 EFEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001319632468 1328933174 /nfs/dbraw/zinc/93/31/74/1328933174.db2.gz JPMGKASWCUSPJS-QMMMGPOBSA-N -1 1 335.198 2.559 20 30 EFEDMM CCC[C@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001319632444 1328933646 /nfs/dbraw/zinc/93/36/46/1328933646.db2.gz JPMGKASWCUSPJS-MRVPVSSYSA-N -1 1 335.198 2.559 20 30 EFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c1 ZINC001323948903 1329586838 /nfs/dbraw/zinc/58/68/38/1329586838.db2.gz OOPVXFXVJGWXQW-UHFFFAOYSA-N -1 1 342.355 2.684 20 30 EFEDMM C=C(C)CCC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC001337250294 1331553994 /nfs/dbraw/zinc/55/39/94/1331553994.db2.gz MVNDPXDFKUWPLB-UHFFFAOYSA-N -1 1 342.399 2.621 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001339642712 1331919328 /nfs/dbraw/zinc/91/93/28/1331919328.db2.gz VJSJZHXJGCOAJD-AWEZNQCLSA-N -1 1 336.399 2.554 20 30 EFEDMM C=CC1CCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2CC)CC1 ZINC001339740038 1331947563 /nfs/dbraw/zinc/94/75/63/1331947563.db2.gz IBWDTTHFLRZJPI-UHFFFAOYSA-N -1 1 340.431 2.740 20 30 EFEDMM C=CCN(c1nnc(-c2cc(Cl)ncc2[O-])n1CCOC)C1CC1 ZINC001342106501 1332305325 /nfs/dbraw/zinc/30/53/25/1332305325.db2.gz BKCPJUJIEJSGKX-UHFFFAOYSA-N -1 1 349.822 2.500 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](C2CCC2)C1 ZINC001343628896 1332364106 /nfs/dbraw/zinc/36/41/06/1332364106.db2.gz QAQYDJGKNIOGKN-ZDUSSCGKSA-N -1 1 328.420 2.576 20 30 EFEDMM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3cncn3c2C)c1 ZINC001344400752 1332449403 /nfs/dbraw/zinc/44/94/03/1332449403.db2.gz HLVZTTYHPBCNIW-SFHVURJKSA-N -1 1 346.390 2.590 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1C1CCC1 ZINC001346430067 1332639653 /nfs/dbraw/zinc/63/96/53/1332639653.db2.gz HJYNERPXAZCOTD-CQSZACIVSA-N -1 1 328.420 2.719 20 30 EFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@@](F)(C#N)C1 ZINC001352013873 1333351927 /nfs/dbraw/zinc/35/19/27/1333351927.db2.gz WMVNAPKOMDVRDS-MRXNPFEDSA-N -1 1 347.781 2.932 20 30 EFEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCO[C@H](C)C1 ZINC001356598442 1335060291 /nfs/dbraw/zinc/06/02/91/1335060291.db2.gz ADUKLAKSWUVXTE-LLVKDONJSA-N -1 1 349.822 2.500 20 30 EFEDMM CC[C@@H](C#N)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001361827830 1336362908 /nfs/dbraw/zinc/36/29/08/1336362908.db2.gz MKLBXGCMFRLEOG-ZDUSSCGKSA-N -1 1 343.408 2.976 20 30 EFEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001361857109 1336378733 /nfs/dbraw/zinc/37/87/33/1336378733.db2.gz VRVKMMMNNSQRJH-UHFFFAOYSA-N -1 1 338.367 2.971 20 30 EFEDMM N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001362793336 1336744103 /nfs/dbraw/zinc/74/41/03/1336744103.db2.gz XJCKLJSWERXYTL-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1c([N-]C(=O)c2cc(-c3ccccc3)no2)ncc2c1COCC2 ZINC001461011928 1396281640 /nfs/dbraw/zinc/28/16/40/1396281640.db2.gz CXZKBQVUKOZYTA-UHFFFAOYSA-N -1 1 346.346 2.933 20 30 EFEDMM Cc1cccnc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001464797477 1396608679 /nfs/dbraw/zinc/60/86/79/1396608679.db2.gz DMLBHFIPGNTGDL-SNVBAGLBSA-N -1 1 337.351 2.579 20 30 EFEDMM Cc1cccnc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001464797476 1396608848 /nfs/dbraw/zinc/60/88/48/1396608848.db2.gz DMLBHFIPGNTGDL-JTQLQIEISA-N -1 1 337.351 2.579 20 30 EFEDMM Cc1cc(C#N)cnc1C(=O)Nc1cccc([O-])c1Br ZINC001468252155 1396939417 /nfs/dbraw/zinc/93/94/17/1396939417.db2.gz NDLUESSLKHVPBR-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c(F)c1 ZINC001475017627 1397398845 /nfs/dbraw/zinc/39/88/45/1397398845.db2.gz UAIKNJZRRIBHGI-UHFFFAOYSA-N -1 1 340.326 2.763 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)c(Cl)c2)o1 ZINC001475664079 1397446392 /nfs/dbraw/zinc/44/63/92/1397446392.db2.gz VEQSDMMPCSXHFK-UHFFFAOYSA-N -1 1 345.207 2.979 20 30 EFEDMM C=CCCOC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735416737 1426011840 /nfs/dbraw/zinc/01/18/40/1426011840.db2.gz PUQNVUIFAGFEPJ-UHFFFAOYSA-N -1 1 340.339 2.772 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826384037 1427530446 /nfs/dbraw/zinc/53/04/46/1427530446.db2.gz DEOFJPRFPNRJEH-KXFIGUGUSA-N -1 1 337.289 2.913 20 30 EFEDMM Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1F ZINC000822202030 1428248394 /nfs/dbraw/zinc/24/83/94/1428248394.db2.gz ICEYNAOYIRTYOF-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM C=CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819734743 1428253056 /nfs/dbraw/zinc/25/30/56/1428253056.db2.gz SBXGXCZNASDKIK-UHFFFAOYSA-N -1 1 338.314 2.868 20 30 EFEDMM N#Cc1cc(NC(=O)CCCc2ccsc2)ccc1-c1nnn[n-]1 ZINC000826384243 1428450193 /nfs/dbraw/zinc/45/01/93/1428450193.db2.gz MTRYXRJPDKMKIS-UHFFFAOYSA-N -1 1 338.396 2.761 20 30 EFEDMM CC(C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735571349 1428639099 /nfs/dbraw/zinc/63/90/99/1428639099.db2.gz BURIJDYDCDBFRB-UHFFFAOYSA-N -1 1 348.366 2.691 20 30 EFEDMM C#CC[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838381 1428683993 /nfs/dbraw/zinc/68/39/93/1428683993.db2.gz OZOKHIFZJXXMPC-HNNXBMFYSA-N -1 1 348.435 2.918 20 30 EFEDMM N#Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822825675 1428725119 /nfs/dbraw/zinc/72/51/19/1428725119.db2.gz LBIUPNYNZPRZEJ-UHFFFAOYSA-N -1 1 342.309 2.952 20 30 EFEDMM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823841061 1428729106 /nfs/dbraw/zinc/72/91/06/1428729106.db2.gz IITQZOLCOHPLMW-UHFFFAOYSA-N -1 1 349.341 2.990 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1O ZINC000826190648 1428750313 /nfs/dbraw/zinc/75/03/13/1428750313.db2.gz IHHXUBPCJDPRSB-KXFIGUGUSA-N -1 1 340.314 2.616 20 30 EFEDMM N#CCCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822805742 1428758025 /nfs/dbraw/zinc/75/80/25/1428758025.db2.gz BKXMPHZOZTYBQR-UHFFFAOYSA-N -1 1 339.277 2.736 20 30 EFEDMM N#Cc1ccc(NC(=O)C=Cc2ccccc2F)cc1-c1nnn[n-]1 ZINC000737717142 1428853944 /nfs/dbraw/zinc/85/39/44/1428853944.db2.gz ZUNGWFDNGBVDCC-SOFGYWHQSA-N -1 1 334.314 2.529 20 30 EFEDMM C#CCCCCC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823838235 1428866625 /nfs/dbraw/zinc/86/66/25/1428866625.db2.gz MLXQJKJLMKRQIB-UHFFFAOYSA-N -1 1 325.416 2.799 20 30 EFEDMM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737415399 1428867762 /nfs/dbraw/zinc/86/77/62/1428867762.db2.gz QMRNIOGUNOYPHT-UHFFFAOYSA-N -1 1 346.394 2.963 20 30 EFEDMM Cc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cnc1Cl ZINC000826266659 1428872917 /nfs/dbraw/zinc/87/29/17/1428872917.db2.gz XBCZTQORKUJXGF-UHFFFAOYSA-N -1 1 349.185 2.718 20 30 EFEDMM C[C@@H](OC(=O)c1cc(C#N)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820506892 1428964714 /nfs/dbraw/zinc/96/47/14/1428964714.db2.gz DDVQTTGJPHEYSW-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826210175 1429031384 /nfs/dbraw/zinc/03/13/84/1429031384.db2.gz IBMPTQOQLHBDJH-HWKANZROSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C=CC(=O)c2scnc2C)cc1-c1nnn[n-]1 ZINC000737082523 1429054574 /nfs/dbraw/zinc/05/45/74/1429054574.db2.gz WPTJJZNWXFRELN-HYXAFXHYSA-N -1 1 327.369 2.536 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(SCCC2CCCCC2)nc1N ZINC000822818686 1429134271 /nfs/dbraw/zinc/13/42/71/1429134271.db2.gz FLSXWGNSEZEHFP-UHFFFAOYSA-N -1 1 329.433 2.778 20 30 EFEDMM Cc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822255290 1429151451 /nfs/dbraw/zinc/15/14/51/1429151451.db2.gz YOJQOQAYUSRQHH-UHFFFAOYSA-N -1 1 343.441 2.557 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)nc1 ZINC000826399714 1429192809 /nfs/dbraw/zinc/19/28/09/1429192809.db2.gz CWGGGJVKZMKCNE-HYXAFXHYSA-N -1 1 329.722 2.950 20 30 EFEDMM Fc1ccccc1-c1n[nH]cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826377654 1429233524 /nfs/dbraw/zinc/23/35/24/1429233524.db2.gz AADNNDDFNYLKIV-UHFFFAOYSA-N -1 1 348.345 2.842 20 30 EFEDMM Fc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000822748460 1429292770 /nfs/dbraw/zinc/29/27/70/1429292770.db2.gz ZNRGYTQEJLLXRQ-UHFFFAOYSA-N -1 1 330.754 2.783 20 30 EFEDMM C#CCCCCCC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000823840767 1429384150 /nfs/dbraw/zinc/38/41/50/1429384150.db2.gz FKLJYWYKTXPIDR-CQSZACIVSA-N -1 1 342.399 2.761 20 30 EFEDMM CC[C@H]1C[C@H](CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184738 1429401001 /nfs/dbraw/zinc/40/10/01/1429401001.db2.gz YXAKFQOQANEISM-NEPJUHHUSA-N -1 1 347.423 2.656 20 30 EFEDMM C#Cc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000823861294 1429462557 /nfs/dbraw/zinc/46/25/57/1429462557.db2.gz CYFXGXGFGANPTN-UHFFFAOYSA-N -1 1 344.378 2.659 20 30 EFEDMM N#Cc1csc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000826387652 1429506268 /nfs/dbraw/zinc/50/62/68/1429506268.db2.gz IZCAAMLVGHRKIX-UHFFFAOYSA-N -1 1 336.424 2.964 20 30 EFEDMM N#Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC001129729565 1429519491 /nfs/dbraw/zinc/51/94/91/1429519491.db2.gz ZKIDPMUVXHVLIR-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM C=CCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000735416402 1429524921 /nfs/dbraw/zinc/52/49/21/1429524921.db2.gz IRICSWDOKQXTDE-UHFFFAOYSA-N -1 1 331.401 2.594 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC12CCCC2 ZINC000819743133 1423221596 /nfs/dbraw/zinc/22/15/96/1423221596.db2.gz DDUYLVHNXFGLQG-INIZCTEOSA-N -1 1 337.427 2.962 20 30 EFEDMM CC(Cc1ccncc1)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000820301387 1423399618 /nfs/dbraw/zinc/39/96/18/1423399618.db2.gz XABVSUANJZZFSY-UHFFFAOYSA-N -1 1 340.391 2.578 20 30 EFEDMM CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735913452 1423449753 /nfs/dbraw/zinc/44/97/53/1423449753.db2.gz DCYNQOSSZBMVHT-UHFFFAOYSA-N -1 1 348.366 2.778 20 30 EFEDMM C=CCn1c(C)nnc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735443057 1429650009 /nfs/dbraw/zinc/65/00/09/1429650009.db2.gz NRNYFTMIXXHYHK-JTQLQIEISA-N -1 1 327.417 2.806 20 30 EFEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000274303107 1423677838 /nfs/dbraw/zinc/67/78/38/1423677838.db2.gz AABQTSJVBAFLLU-AWEZNQCLSA-N -1 1 330.392 2.776 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)cnc12 ZINC000826307988 1423716510 /nfs/dbraw/zinc/71/65/10/1423716510.db2.gz DOGPFHHVYFDOHB-SNAWJCMRSA-N -1 1 336.380 2.780 20 30 EFEDMM CCOc1cccc(C=Nc2ccc(F)c(-c3nnn[n-]3)c2)c1O ZINC000736653542 1429679893 /nfs/dbraw/zinc/67/98/93/1429679893.db2.gz BSFNFFHZOYQTQJ-UHFFFAOYSA-N -1 1 327.319 2.861 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1[O-] ZINC000826400871 1424083320 /nfs/dbraw/zinc/08/33/20/1424083320.db2.gz KCSWTWVBQRWMIN-GORDUTHDSA-N -1 1 328.278 2.747 20 30 EFEDMM Cc1ccccc1[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000822344843 1424154954 /nfs/dbraw/zinc/15/49/54/1424154954.db2.gz BLUXGNOKWYTNTP-JTQLQIEISA-N -1 1 337.412 2.877 20 30 EFEDMM N#Cc1ccc(CSc2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000135475468 1424182341 /nfs/dbraw/zinc/18/23/41/1424182341.db2.gz GAWWBCBYUGDJSB-UHFFFAOYSA-N -1 1 336.380 2.616 20 30 EFEDMM C#CCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819709798 1429710869 /nfs/dbraw/zinc/71/08/69/1429710869.db2.gz POIPVYOOJFOBTC-CYBMUJFWSA-N -1 1 348.362 2.797 20 30 EFEDMM Cc1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822280405 1424360856 /nfs/dbraw/zinc/36/08/56/1424360856.db2.gz MNKKJJCYZDWVBQ-UHFFFAOYSA-N -1 1 348.410 2.842 20 30 EFEDMM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)nc21 ZINC000737405446 1429723856 /nfs/dbraw/zinc/72/38/56/1429723856.db2.gz GJHQICGSSCNZFF-CYBMUJFWSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)[nH]c21 ZINC000737405446 1429723859 /nfs/dbraw/zinc/72/38/59/1429723859.db2.gz GJHQICGSSCNZFF-CYBMUJFWSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)[nH]c21 ZINC000737405446 1429723863 /nfs/dbraw/zinc/72/38/63/1429723863.db2.gz GJHQICGSSCNZFF-CYBMUJFWSA-N -1 1 343.350 2.542 20 30 EFEDMM C=CCCO[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823899527 1424519585 /nfs/dbraw/zinc/51/95/85/1424519585.db2.gz XPIPAZYWXZCJEC-JTQLQIEISA-N -1 1 336.779 2.545 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(C#N)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202991 1424545487 /nfs/dbraw/zinc/54/54/87/1424545487.db2.gz QISQZINKWNXCRO-FPLPWBNLSA-N -1 1 344.378 2.691 20 30 EFEDMM C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381791 1424836697 /nfs/dbraw/zinc/83/66/97/1424836697.db2.gz ZZQFKUFYGPJZRN-CYBMUJFWSA-N -1 1 348.362 2.797 20 30 EFEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1cccc2cccnc21 ZINC000822739680 1424902496 /nfs/dbraw/zinc/90/24/96/1424902496.db2.gz BOOJRSOVURHZNN-UHFFFAOYSA-N -1 1 347.357 2.678 20 30 EFEDMM CCCCCCCC[C@@H](C)CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000775538757 1424912234 /nfs/dbraw/zinc/91/22/34/1424912234.db2.gz MPAHUIADMPTMGJ-CABCVRRESA-N -1 1 337.468 2.876 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819729631 1429768505 /nfs/dbraw/zinc/76/85/05/1429768505.db2.gz JTSFYHHISCRGSU-CYBMUJFWSA-N -1 1 349.394 2.750 20 30 EFEDMM Cc1c(C#N)cccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822016122 1425023641 /nfs/dbraw/zinc/02/36/41/1425023641.db2.gz VRHCOKFWXCFHAZ-UHFFFAOYSA-N -1 1 332.367 2.618 20 30 EFEDMM C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508848 1425214880 /nfs/dbraw/zinc/21/48/80/1425214880.db2.gz ZBROYVYOYPPDIN-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)cc1 ZINC000737805917 1425302628 /nfs/dbraw/zinc/30/26/28/1425302628.db2.gz JDLHMOUSIPQBFG-SREVYHEPSA-N -1 1 334.314 2.550 20 30 EFEDMM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(C#N)cnc2ccccc21 ZINC000736818864 1425460429 /nfs/dbraw/zinc/46/04/29/1425460429.db2.gz YOVFSIYGFNTWOA-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401279 1425633366 /nfs/dbraw/zinc/63/33/66/1425633366.db2.gz UMIKXLQUSODWOB-ORCRQEGFSA-N -1 1 329.722 2.950 20 30 EFEDMM Cc1c(NCCCOc2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC000822122597 1426073130 /nfs/dbraw/zinc/07/31/30/1426073130.db2.gz PDOMEDXPPPHZQX-UHFFFAOYSA-N -1 1 334.383 2.928 20 30 EFEDMM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1NCCC ZINC000735416464 1426079610 /nfs/dbraw/zinc/07/96/10/1426079610.db2.gz LABIRNKRUXLGCL-GFCCVEGCSA-N -1 1 344.419 2.608 20 30 EFEDMM COCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826165525 1426147307 /nfs/dbraw/zinc/14/73/07/1426147307.db2.gz YUUAFXGZGVXXHC-SNAWJCMRSA-N -1 1 345.359 2.505 20 30 EFEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cnc([C@H]2CCCO2)s1 ZINC000823867922 1426326334 /nfs/dbraw/zinc/32/63/34/1426326334.db2.gz JKUVOAQTRKUWOL-CYBMUJFWSA-N -1 1 341.400 2.621 20 30 EFEDMM Cc1cc(NC[C@H](C)C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209641 1426466934 /nfs/dbraw/zinc/46/69/34/1426466934.db2.gz QNWXSFFACJOTNF-SNVBAGLBSA-N -1 1 332.371 2.548 20 30 EFEDMM C=CCCOCCCCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000823899352 1426535560 /nfs/dbraw/zinc/53/55/60/1426535560.db2.gz TVZMWMURAZZWIN-UHFFFAOYSA-N -1 1 329.404 2.593 20 30 EFEDMM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826401086 1426552676 /nfs/dbraw/zinc/55/26/76/1426552676.db2.gz PETDZMVEWXDPCB-PLNGDYQASA-N -1 1 326.337 2.553 20 30 EFEDMM N#Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)s2)C2CC2)cc1 ZINC000826384851 1426553335 /nfs/dbraw/zinc/55/33/35/1426553335.db2.gz LZBVVUCYWAASQV-UHFFFAOYSA-N -1 1 336.424 2.964 20 30 EFEDMM COc1cc(C)c(C(C)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1C ZINC000826177760 1426573748 /nfs/dbraw/zinc/57/37/48/1426573748.db2.gz UNKHBBKMQACYLS-UHFFFAOYSA-N -1 1 341.375 2.625 20 30 EFEDMM C=CC[C@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823888446 1426576474 /nfs/dbraw/zinc/57/64/74/1426576474.db2.gz MNFRTSATKOORTC-ZDUSSCGKSA-N -1 1 338.415 2.630 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000826251862 1426620077 /nfs/dbraw/zinc/62/00/77/1426620077.db2.gz DMJJQHCRPFEHII-OAHLLOKOSA-N -1 1 347.378 2.714 20 30 EFEDMM COc1ccc(COc2ccc(C#N)cc2Cl)cc1-c1nnn[n-]1 ZINC000826207282 1426684630 /nfs/dbraw/zinc/68/46/30/1426684630.db2.gz HZQUVSUICKJJSR-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM CC(C)n1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000824371358 1426845245 /nfs/dbraw/zinc/84/52/45/1426845245.db2.gz BOWVCUNCJRQEOG-GQCTYLIASA-N -1 1 326.335 2.679 20 30 EFEDMM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1O ZINC000826178908 1426882167 /nfs/dbraw/zinc/88/21/67/1426882167.db2.gz QJQBMEUCZACXMP-UHFFFAOYSA-N -1 1 344.762 2.680 20 30 EFEDMM C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512468 1426938861 /nfs/dbraw/zinc/93/88/61/1426938861.db2.gz LDZIUBVLNKAVIH-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM CC(=NNCCCOc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953914 1427143169 /nfs/dbraw/zinc/14/31/69/1427143169.db2.gz VKDJHGKBPRNYNL-UHFFFAOYSA-N -1 1 342.428 2.711 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000935416099 1427358901 /nfs/dbraw/zinc/35/89/01/1427358901.db2.gz IEZKWHBVQKAMMG-LKFCYVNXSA-N -1 1 337.786 2.800 20 30 EFEDMM C=CCC(CC=C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823888701 1427402821 /nfs/dbraw/zinc/40/28/21/1427402821.db2.gz UJDKJQSPABUOPY-UHFFFAOYSA-N -1 1 328.372 2.687 20 30 EFEDMM CCCCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1O ZINC000821056683 1427420558 /nfs/dbraw/zinc/42/05/58/1427420558.db2.gz VZAPXSDCVDYYKI-UHFFFAOYSA-N -1 1 347.419 2.888 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([O-])c(F)c1 ZINC000822922477 1427463813 /nfs/dbraw/zinc/46/38/13/1427463813.db2.gz GMBQPQNWJAYMCZ-HYXAFXHYSA-N -1 1 328.278 2.747 20 30 EFEDMM CCC(CC)CN(CCC#N)CCOc1ccccc1-c1nnn[n-]1 ZINC000820893952 1427554111 /nfs/dbraw/zinc/55/41/11/1427554111.db2.gz YPAFGPUBVMLZEQ-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(C#N)c1 ZINC000820456331 1427722424 /nfs/dbraw/zinc/72/24/24/1427722424.db2.gz SRBNPVSATUXYGF-SECBINFHSA-N -1 1 325.763 2.960 20 30 EFEDMM C[C@@H](NC(=O)Nc1sccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117494 1427749117 /nfs/dbraw/zinc/74/91/17/1427749117.db2.gz PREAJIYDLUYETK-SECBINFHSA-N -1 1 339.384 2.683 20 30 EFEDMM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCOc3ccccc32)n1 ZINC000826350106 1427802628 /nfs/dbraw/zinc/80/26/28/1427802628.db2.gz IQPWHHPTFGDQJK-UHFFFAOYSA-N -1 1 341.762 2.514 20 30 EFEDMM Clc1cc(-c2nnn[n-]2)cc(NN=C2CCOc3ccccc32)n1 ZINC000826350106 1427802634 /nfs/dbraw/zinc/80/26/34/1427802634.db2.gz IQPWHHPTFGDQJK-UHFFFAOYSA-N -1 1 341.762 2.514 20 30 EFEDMM Clc1cc(-c2nn[n-]n2)cc(NN=C2CCOc3ccccc32)n1 ZINC000826350106 1427802642 /nfs/dbraw/zinc/80/26/42/1427802642.db2.gz IQPWHHPTFGDQJK-UHFFFAOYSA-N -1 1 341.762 2.514 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c([O-])c1 ZINC000821769753 1427879328 /nfs/dbraw/zinc/87/93/28/1427879328.db2.gz KMTIQASMENDUON-ZZXKWVIFSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(O)c1 ZINC000821769753 1427879334 /nfs/dbraw/zinc/87/93/34/1427879334.db2.gz KMTIQASMENDUON-ZZXKWVIFSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(O)c1 ZINC000821769753 1427879340 /nfs/dbraw/zinc/87/93/40/1427879340.db2.gz KMTIQASMENDUON-ZZXKWVIFSA-N -1 1 328.353 2.539 20 30 EFEDMM C=CCN(Cc1ccccc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745903 1427902988 /nfs/dbraw/zinc/90/29/88/1427902988.db2.gz UHTPSHWHYCKXHI-UHFFFAOYSA-N -1 1 333.395 2.624 20 30 EFEDMM Cc1ccnc(N(Cc2ccc(C#N)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826309455 1427936443 /nfs/dbraw/zinc/93/64/43/1427936443.db2.gz PPEVFTLSCVPBMY-UHFFFAOYSA-N -1 1 331.383 2.611 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1C ZINC000735450786 1427946359 /nfs/dbraw/zinc/94/63/59/1427946359.db2.gz DGPZGXSCSFDBPD-UHFFFAOYSA-N -1 1 337.343 2.919 20 30 EFEDMM Cc1cc(C)cc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000826264290 1427947149 /nfs/dbraw/zinc/94/71/49/1427947149.db2.gz IYIJPIWBBFNIFT-UHFFFAOYSA-N -1 1 346.394 2.927 20 30 EFEDMM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821877880 1428061437 /nfs/dbraw/zinc/06/14/37/1428061437.db2.gz YFOZPTUJCDCMJQ-CLFYSBASSA-N -1 1 340.364 2.596 20 30 EFEDMM CCOc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825654366 1429789697 /nfs/dbraw/zinc/78/96/97/1429789697.db2.gz YTAHQRFXDXUNOH-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380214 1429792511 /nfs/dbraw/zinc/79/25/11/1429792511.db2.gz FPIWKAOCSTXMCI-ZDUSSCGKSA-N -1 1 348.362 2.797 20 30 EFEDMM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819730435 1429819095 /nfs/dbraw/zinc/81/90/95/1429819095.db2.gz ZXZVBGDISXRUIX-SSDOTTSWSA-N -1 1 326.282 2.582 20 30 EFEDMM C=CCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735408602 1429821970 /nfs/dbraw/zinc/82/19/70/1429821970.db2.gz PLUYRCGBRBADIP-UHFFFAOYSA-N -1 1 336.355 2.959 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CC(c3ccccc3F)C2)o1 ZINC000822422825 1429871951 /nfs/dbraw/zinc/87/19/51/1429871951.db2.gz DFDWUGDHJUQJOF-UHFFFAOYSA-N -1 1 327.323 2.648 20 30 EFEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1coc(-c2ccccc2)n1 ZINC000823861450 1429894499 /nfs/dbraw/zinc/89/44/99/1429894499.db2.gz JDACMYHSKQISOT-UHFFFAOYSA-N -1 1 345.366 2.645 20 30 EFEDMM CC(C)Oc1ccc(NCc2ccnc(C#N)c2)cc1-c1nnn[n-]1 ZINC000824329098 1429926104 /nfs/dbraw/zinc/92/61/04/1429926104.db2.gz ILGIMJVLAUKJKR-UHFFFAOYSA-N -1 1 335.371 2.533 20 30 EFEDMM N#Cc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822837326 1429947749 /nfs/dbraw/zinc/94/77/49/1429947749.db2.gz JZTZGQUTGHDNDS-OQLLNIDSSA-N -1 1 327.347 2.951 20 30 EFEDMM C(=NNCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC000819718314 1429956090 /nfs/dbraw/zinc/95/60/90/1429956090.db2.gz FMWXLPHMPBYLFR-UHFFFAOYSA-N -1 1 335.396 2.600 20 30 EFEDMM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1 ZINC000735447500 1430007892 /nfs/dbraw/zinc/00/78/92/1430007892.db2.gz KRCVWOPWCNKCDC-DHZHZOJOSA-N -1 1 348.341 2.919 20 30 EFEDMM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000826365379 1430045089 /nfs/dbraw/zinc/04/50/89/1430045089.db2.gz LPDSDPWAMMYNQW-XVNBXDOJSA-N -1 1 348.341 2.789 20 30 EFEDMM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826281262 1430108269 /nfs/dbraw/zinc/10/82/69/1430108269.db2.gz KZPDEILPMKDQRF-HJWRWDBZSA-N -1 1 335.323 2.979 20 30 EFEDMM C#CCCOC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735375137 1430225430 /nfs/dbraw/zinc/22/54/30/1430225430.db2.gz UOUGKJOGIIMFNL-UHFFFAOYSA-N -1 1 333.351 2.790 20 30 EFEDMM N#Cc1ccc(Sc2c3ccccc3nnc2-c2nnn[n-]2)c(F)c1 ZINC000822833806 1441467645 /nfs/dbraw/zinc/46/76/45/1441467645.db2.gz VUPRAYBSLNFMDE-UHFFFAOYSA-N -1 1 349.354 2.972 20 30 EFEDMM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822928305 1441478385 /nfs/dbraw/zinc/47/83/85/1441478385.db2.gz GPMSRXNUTVUMMZ-YHYXMXQVSA-N -1 1 342.362 2.949 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000819743912 1441494737 /nfs/dbraw/zinc/49/47/37/1441494737.db2.gz SOENEAQNACISKC-FVQHAEBGSA-N -1 1 337.427 2.818 20 30 EFEDMM CCC(CC)CN(CCC#N)C(=O)c1sccc1-c1nnn[n-]1 ZINC000736337186 1441547619 /nfs/dbraw/zinc/54/76/19/1441547619.db2.gz IKNQAJCCOKYAKS-UHFFFAOYSA-N -1 1 332.433 2.720 20 30 EFEDMM CCNc1ccc(C#N)cc1NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000821308521 1441640611 /nfs/dbraw/zinc/64/06/11/1441640611.db2.gz CNXHMLMYQOKTJZ-UHFFFAOYSA-N -1 1 349.398 2.661 20 30 EFEDMM Cc1ccc(O)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000823953821 1441654280 /nfs/dbraw/zinc/65/42/80/1441654280.db2.gz RLQCQVUTFPPUHT-UHFFFAOYSA-N -1 1 343.778 2.765 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(C)ccc1O ZINC000823953821 1441654285 /nfs/dbraw/zinc/65/42/85/1441654285.db2.gz RLQCQVUTFPPUHT-UHFFFAOYSA-N -1 1 343.778 2.765 20 30 EFEDMM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(C)ccc1O ZINC000823953821 1441654289 /nfs/dbraw/zinc/65/42/89/1441654289.db2.gz RLQCQVUTFPPUHT-UHFFFAOYSA-N -1 1 343.778 2.765 20 30 EFEDMM CC1(C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H]2CCCO[C@H]21 ZINC000824784706 1441690777 /nfs/dbraw/zinc/69/07/77/1441690777.db2.gz ZOKSCVPQMGLAGC-TVQRCGJNSA-N -1 1 347.810 2.518 20 30 EFEDMM C[C@H](C#N)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819857481 1441697498 /nfs/dbraw/zinc/69/74/98/1441697498.db2.gz RZWUWARLEPGEDR-GFCCVEGCSA-N -1 1 349.350 2.975 20 30 EFEDMM N#CC1(c2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826380002 1441728739 /nfs/dbraw/zinc/72/87/39/1441728739.db2.gz JQJAWOVCOHKKNO-UHFFFAOYSA-N -1 1 348.341 2.813 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C12CCC2 ZINC000825576423 1441808020 /nfs/dbraw/zinc/80/80/20/1441808020.db2.gz GIJNWMBGBYZUEC-LLVKDONJSA-N -1 1 347.810 2.662 20 30 EFEDMM CC[C@@H]1CCC[C@H](C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)C1 ZINC000825195342 1441810796 /nfs/dbraw/zinc/81/07/96/1441810796.db2.gz WGWDTEXKVVWRFN-KGLIPLIRSA-N -1 1 328.420 2.696 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1O ZINC000826178932 1441848931 /nfs/dbraw/zinc/84/89/31/1441848931.db2.gz RGFFZVACQCMZCC-HYXAFXHYSA-N -1 1 328.353 2.539 20 30 EFEDMM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000737419081 1441884984 /nfs/dbraw/zinc/88/49/84/1441884984.db2.gz CEMDETQFBCVNQD-UHFFFAOYSA-N -1 1 344.378 2.717 20 30 EFEDMM CCC(CC)CN(CCC#N)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825108802 1441929103 /nfs/dbraw/zinc/92/91/03/1441929103.db2.gz ZUCWCFZLMGFZLW-UHFFFAOYSA-N -1 1 343.391 2.931 20 30 EFEDMM CC(C)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC000820192408 1442008596 /nfs/dbraw/zinc/00/85/96/1442008596.db2.gz MPQVBUSDCWFJRH-UHFFFAOYSA-N -1 1 333.355 2.509 20 30 EFEDMM C=C(Br)CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823873413 1442044064 /nfs/dbraw/zinc/04/40/64/1442044064.db2.gz LWQJXDYRLHGCCQ-UHFFFAOYSA-N -1 1 331.177 2.735 20 30 EFEDMM N#Cc1cc(NC(=O)c2cccc(C(F)F)c2)ccc1-c1nnn[n-]1 ZINC000737708367 1442137569 /nfs/dbraw/zinc/13/75/69/1442137569.db2.gz FHDXXJOCVSLPGT-UHFFFAOYSA-N -1 1 340.293 2.928 20 30 EFEDMM CN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736793439 1442173555 /nfs/dbraw/zinc/17/35/55/1442173555.db2.gz WXHFPYBXIVWYFG-UHFFFAOYSA-N -1 1 348.366 2.645 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCCCc2c(F)cccc2Cl)o1 ZINC000826322849 1442329950 /nfs/dbraw/zinc/32/99/50/1442329950.db2.gz DMKSWSVUNUNAEB-UHFFFAOYSA-N -1 1 349.757 2.986 20 30 EFEDMM CCc1nnc(Oc2ccc(-c3nnn[n-]3)cc2F)c(C#N)c1CC ZINC000821548680 1442399317 /nfs/dbraw/zinc/39/93/17/1442399317.db2.gz TXYQVWYJJPNBQQ-UHFFFAOYSA-N -1 1 339.334 2.585 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc(Cl)c(F)c2)ccc1-c1nnn[n-]1 ZINC000826384406 1442442290 /nfs/dbraw/zinc/44/22/90/1442442290.db2.gz UHRRGUBIWXVACF-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM N#C[C@@H](C(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2o1 ZINC000822801784 1443144879 /nfs/dbraw/zinc/14/48/79/1443144879.db2.gz ONFMSTRRUCAJJH-VIFPVBQESA-N -1 1 336.336 2.559 20 30 EFEDMM O=C(OCC#Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823396238 1443176924 /nfs/dbraw/zinc/17/69/24/1443176924.db2.gz GKCZCBXFOWKVFO-UHFFFAOYSA-N -1 1 338.754 2.729 20 30 EFEDMM C#CCN(Cc1ccc(F)cc1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819701443 1443177544 /nfs/dbraw/zinc/17/75/44/1443177544.db2.gz HOGBUOFUORWMFH-UHFFFAOYSA-N -1 1 339.349 2.780 20 30 EFEDMM Cc1ccc(-c2nnn[n-]2)c(N2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000826273988 1443180433 /nfs/dbraw/zinc/18/04/33/1443180433.db2.gz CIDNMMWQTCQTKQ-UHFFFAOYSA-N -1 1 343.394 2.736 20 30 EFEDMM N#Cc1ccc(Oc2ccc(Br)cc2-c2nn[n-]n2)nc1 ZINC000822833479 1443235019 /nfs/dbraw/zinc/23/50/19/1443235019.db2.gz QJLLWVSXEBUXMQ-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM COc1ccc2nc(NN=Cc3ccc(-c4nnn[n-]4)o3)c(C)cc2c1 ZINC000826213714 1443274886 /nfs/dbraw/zinc/27/48/86/1443274886.db2.gz JJGCWHJDIVZRLW-UHFFFAOYSA-N -1 1 349.354 2.771 20 30 EFEDMM COc1ccc2[nH]c(=NN=Cc3ccc(-c4nn[n-]n4)o3)c(C)cc2c1 ZINC000826213714 1443274889 /nfs/dbraw/zinc/27/48/89/1443274889.db2.gz JJGCWHJDIVZRLW-UHFFFAOYSA-N -1 1 349.354 2.771 20 30 EFEDMM Cc1nc(C)c(C#N)c(SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826324502 1443323333 /nfs/dbraw/zinc/32/33/33/1443323333.db2.gz UNXXKTUZIXZBTE-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cc(F)ccc2C#N)n1 ZINC000822428089 1443345486 /nfs/dbraw/zinc/34/54/86/1443345486.db2.gz ZBHIDEFFRQLKCU-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM N#Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1-c1nnn[n-]1 ZINC000737717502 1443384624 /nfs/dbraw/zinc/38/46/24/1443384624.db2.gz DSXMUROYNTZZGI-UHFFFAOYSA-N -1 1 348.341 2.548 20 30 EFEDMM Cc1sc2ncnc(N=NCc3ccc(-c4nnn[n-]4)o3)c2c1C ZINC000822564228 1443468354 /nfs/dbraw/zinc/46/83/54/1443468354.db2.gz WQGOIDKVAAOBDS-UHFFFAOYSA-N -1 1 340.372 2.527 20 30 EFEDMM Cc1sc2ncnc(NN=Cc3ccc(-c4nn[n-]n4)o3)c2c1C ZINC000822564228 1443468355 /nfs/dbraw/zinc/46/83/55/1443468355.db2.gz WQGOIDKVAAOBDS-UHFFFAOYSA-N -1 1 340.372 2.527 20 30 EFEDMM Cc1sc2ncnc(NN=Cc3ccc(-c4nnn[n-]4)o3)c2c1C ZINC000822564228 1443468358 /nfs/dbraw/zinc/46/83/58/1443468358.db2.gz WQGOIDKVAAOBDS-UHFFFAOYSA-N -1 1 340.372 2.527 20 30 EFEDMM COc1cccc(O)c1C=Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821872393 1443524283 /nfs/dbraw/zinc/52/42/83/1443524283.db2.gz LITNDSHLWKRNGF-UHFFFAOYSA-N -1 1 329.747 2.985 20 30 EFEDMM C#CCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001136072940 1443654915 /nfs/dbraw/zinc/65/49/15/1443654915.db2.gz LURGFLIDFCNZJH-UHFFFAOYSA-N -1 1 333.351 2.521 20 30 EFEDMM C#CCN(CC)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823845002 1443705801 /nfs/dbraw/zinc/70/58/01/1443705801.db2.gz MQQAOKHHTMYADK-UHFFFAOYSA-N -1 1 331.379 2.629 20 30 EFEDMM Cc1ccc(NC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822254781 1443720671 /nfs/dbraw/zinc/72/06/71/1443720671.db2.gz REQHZHIUWJJTNJ-UHFFFAOYSA-N -1 1 343.441 2.557 20 30 EFEDMM N#Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1-c1nnn[n-]1 ZINC000737716579 1443723354 /nfs/dbraw/zinc/72/33/54/1443723354.db2.gz SEZBRRLVDOCJGT-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400285 1443744650 /nfs/dbraw/zinc/74/46/50/1443744650.db2.gz UXAMNBUZOWAJRJ-UPHRSURJSA-N -1 1 334.307 2.808 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400285 1443744654 /nfs/dbraw/zinc/74/46/54/1443744654.db2.gz UXAMNBUZOWAJRJ-UPHRSURJSA-N -1 1 334.307 2.808 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400285 1443744658 /nfs/dbraw/zinc/74/46/58/1443744658.db2.gz UXAMNBUZOWAJRJ-UPHRSURJSA-N -1 1 334.307 2.808 20 30 EFEDMM C=CCCCCCN(C)[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000819740447 1443770203 /nfs/dbraw/zinc/77/02/03/1443770203.db2.gz ZRSWSIJCBPQKTC-INIZCTEOSA-N -1 1 343.431 2.759 20 30 EFEDMM COc1ccc(O)cc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826210386 1443848901 /nfs/dbraw/zinc/84/89/01/1443848901.db2.gz PIGQKMNCLYJIPB-ARJAWSKDSA-N -1 1 328.353 2.539 20 30 EFEDMM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000825829598 1443885257 /nfs/dbraw/zinc/88/52/57/1443885257.db2.gz HCVPJDWPMAJLOK-UHFFFAOYSA-N -1 1 338.758 2.668 20 30 EFEDMM FC(F)Oc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822731214 1443925548 /nfs/dbraw/zinc/92/55/48/1443925548.db2.gz AJGUFERZDNMEHL-UHFFFAOYSA-N -1 1 344.325 2.592 20 30 EFEDMM O=C1c2cccc(F)c2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475762 1443940196 /nfs/dbraw/zinc/94/01/96/1443940196.db2.gz PJUBTBVYFRSDTM-UXBLZVDNSA-N -1 1 340.289 2.804 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@@H]1CCC ZINC000819743934 1443960404 /nfs/dbraw/zinc/96/04/04/1443960404.db2.gz TWCGIRHXPYXOEF-GOEBONIOSA-N -1 1 340.431 2.753 20 30 EFEDMM N#CCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826381485 1443982608 /nfs/dbraw/zinc/98/26/08/1443982608.db2.gz NPALKYFODSDUAV-UHFFFAOYSA-N -1 1 348.366 2.693 20 30 EFEDMM N#CCSc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000875165639 1446142354 /nfs/dbraw/zinc/14/23/54/1446142354.db2.gz SAEAJRPXKLRFQJ-UHFFFAOYSA-N -1 1 336.380 2.735 20 30 EFEDMM Cc1c(C#N)cccc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822015480 1446214105 /nfs/dbraw/zinc/21/41/05/1446214105.db2.gz KKTADFGYYBRYKD-UHFFFAOYSA-N -1 1 347.382 2.711 20 30 EFEDMM Cc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1O ZINC000823958265 1446406585 /nfs/dbraw/zinc/40/65/85/1446406585.db2.gz HATKTLVOPNCCRF-UHFFFAOYSA-N -1 1 343.778 2.765 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(O)c(C)c1 ZINC000823958265 1446406589 /nfs/dbraw/zinc/40/65/89/1446406589.db2.gz HATKTLVOPNCCRF-UHFFFAOYSA-N -1 1 343.778 2.765 20 30 EFEDMM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(O)c(C)c1 ZINC000823958265 1446406590 /nfs/dbraw/zinc/40/65/90/1446406590.db2.gz HATKTLVOPNCCRF-UHFFFAOYSA-N -1 1 343.778 2.765 20 30 EFEDMM C=CCN(Cc1ccc(COC)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914665 1446428708 /nfs/dbraw/zinc/42/87/08/1446428708.db2.gz LIGPXYDTXCCVHO-UHFFFAOYSA-N -1 1 339.399 2.794 20 30 EFEDMM Brc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819687978 1446445524 /nfs/dbraw/zinc/44/55/24/1446445524.db2.gz ABORHPDNKLYYGX-UHFFFAOYSA-N -1 1 333.149 2.668 20 30 EFEDMM C#Cc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391618 1446461331 /nfs/dbraw/zinc/46/13/31/1446461331.db2.gz VEORPJHGCJFPBU-UHFFFAOYSA-N -1 1 335.392 2.579 20 30 EFEDMM COc1ccc(C=C2Cc3c(cccc3F)C2=O)cc1-c1nnn[n-]1 ZINC000737085070 1446486485 /nfs/dbraw/zinc/48/64/85/1446486485.db2.gz XYBOSNFDTVTFAH-XFFZJAGNSA-N -1 1 336.326 2.837 20 30 EFEDMM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820404275 1446498242 /nfs/dbraw/zinc/49/82/42/1446498242.db2.gz RLUXFUTZKMDHDR-LLVKDONJSA-N -1 1 349.423 2.786 20 30 EFEDMM C[C@H](C#N)COC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819856056 1446504653 /nfs/dbraw/zinc/50/46/53/1446504653.db2.gz HJQTXXDVSZJRDN-GFCCVEGCSA-N -1 1 348.366 2.927 20 30 EFEDMM N#Cc1cccc(C2(NCc3cc(-c4nnn[n-]4)ccc3F)CC2)c1 ZINC000826386889 1446628308 /nfs/dbraw/zinc/62/83/08/1446628308.db2.gz XCVSIZGIAWJGIE-UHFFFAOYSA-N -1 1 334.358 2.656 20 30 EFEDMM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000825560646 1446635175 /nfs/dbraw/zinc/63/51/75/1446635175.db2.gz URXUTYWSODPJRS-HYXAFXHYSA-N -1 1 344.352 2.594 20 30 EFEDMM C=CCOc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819758607 1446667365 /nfs/dbraw/zinc/66/73/65/1446667365.db2.gz AZJCTCNWMWCJOD-UHFFFAOYSA-N -1 1 334.383 2.555 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000826187211 1446698029 /nfs/dbraw/zinc/69/80/29/1446698029.db2.gz GDZPLHSERJMMIX-CLTKARDFSA-N -1 1 340.314 2.616 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000826187211 1446698037 /nfs/dbraw/zinc/69/80/37/1446698037.db2.gz GDZPLHSERJMMIX-CLTKARDFSA-N -1 1 340.314 2.616 20 30 EFEDMM O=C1c2ccc(O)cc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475524 1446700387 /nfs/dbraw/zinc/70/03/87/1446700387.db2.gz IQMFPDLIWNZKNJ-KPKJPENVSA-N -1 1 336.326 2.924 20 30 EFEDMM N#Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000822826435 1446817939 /nfs/dbraw/zinc/81/79/39/1446817939.db2.gz YKWWIKCLKLSHOZ-UHFFFAOYSA-N -1 1 347.260 2.796 20 30 EFEDMM N#Cc1ccc(CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000822826435 1446817942 /nfs/dbraw/zinc/81/79/42/1446817942.db2.gz YKWWIKCLKLSHOZ-UHFFFAOYSA-N -1 1 347.260 2.796 20 30 EFEDMM C=CCN(Cc1csc(C)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425755 1446867151 /nfs/dbraw/zinc/86/71/51/1446867151.db2.gz FHVNTYOWMSKPPK-UHFFFAOYSA-N -1 1 326.429 2.820 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1[N+](=O)[O-] ZINC000823503747 1446939772 /nfs/dbraw/zinc/93/97/72/1446939772.db2.gz IKYBPEBCKVZDRS-JLHYYAGUSA-N -1 1 347.334 2.987 20 30 EFEDMM Cc1ccc2c(c1)CC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737375939 1446945747 /nfs/dbraw/zinc/94/57/47/1446945747.db2.gz GDSSBZROXNJNQX-RIYZIHGNSA-N -1 1 342.362 2.645 20 30 EFEDMM COc1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1C#N ZINC000826208162 1446956161 /nfs/dbraw/zinc/95/61/61/1446956161.db2.gz WMJORXRFPJMXMO-UHFFFAOYSA-N -1 1 338.396 2.575 20 30 EFEDMM COc1cc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826177820 1447094458 /nfs/dbraw/zinc/09/44/58/1447094458.db2.gz WYXLRGGZSWMDNH-UHFFFAOYSA-N -1 1 340.362 2.528 20 30 EFEDMM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735671126 1447127520 /nfs/dbraw/zinc/12/75/20/1447127520.db2.gz NSWIMGNGUKIZKX-UHFFFAOYSA-N -1 1 346.394 2.946 20 30 EFEDMM Cc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)cc1F ZINC000737329085 1447128728 /nfs/dbraw/zinc/12/87/28/1447128728.db2.gz JQJPDIWYSFAEAZ-UHFFFAOYSA-N -1 1 343.366 2.947 20 30 EFEDMM CCc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825705167 1447140376 /nfs/dbraw/zinc/14/03/76/1447140376.db2.gz XXMYSZVMGMDDSC-UHFFFAOYSA-N -1 1 337.383 2.988 20 30 EFEDMM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399971 1447142183 /nfs/dbraw/zinc/14/21/83/1447142183.db2.gz LRYQVYNZHINLDY-POHAHGRESA-N -1 1 340.289 2.804 20 30 EFEDMM C[C@@H](C#N)Oc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824035204 1447164603 /nfs/dbraw/zinc/16/46/03/1447164603.db2.gz UDAQZCHQWFJWAG-NSHDSACASA-N -1 1 338.346 2.909 20 30 EFEDMM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000819722527 1447205327 /nfs/dbraw/zinc/20/53/27/1447205327.db2.gz LRRILVVPVFVLPT-BJMVGYQFSA-N -1 1 349.466 2.706 20 30 EFEDMM COc1ccc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826209998 1447251707 /nfs/dbraw/zinc/25/17/07/1447251707.db2.gz ABRYZBPKWIZPEY-UHFFFAOYSA-N -1 1 326.335 2.851 20 30 EFEDMM CC[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825039770 1447255710 /nfs/dbraw/zinc/25/57/10/1447255710.db2.gz VYUCAWLVLUIIMA-LBPRGKRZSA-N -1 1 332.367 2.566 20 30 EFEDMM N#CC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCCCC1 ZINC000826380320 1447310495 /nfs/dbraw/zinc/31/04/95/1447310495.db2.gz VLHOJNNIOJKIJT-UHFFFAOYSA-N -1 1 329.335 2.523 20 30 EFEDMM Cc1ccc(N(CCC#N)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822241448 1449101020 /nfs/dbraw/zinc/10/10/20/1449101020.db2.gz XBOYDULSMTUHFF-UHFFFAOYSA-N -1 1 338.396 2.797 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1F ZINC000826383698 1449146833 /nfs/dbraw/zinc/14/68/33/1449146833.db2.gz MGUMTFVEAWTMHD-KXFIGUGUSA-N -1 1 337.289 2.913 20 30 EFEDMM Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826289123 1449208728 /nfs/dbraw/zinc/20/87/28/1449208728.db2.gz LEMGLIABIFKMOG-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM N#Cc1ccc(OCCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000822833393 1449215524 /nfs/dbraw/zinc/21/55/24/1449215524.db2.gz PRHIKZNFEKMKAC-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM Cc1nnc(SCc2ccc(F)c(C#N)c2)c(-c2nnn[n-]2)c1C ZINC000826337524 1449234574 /nfs/dbraw/zinc/23/45/74/1449234574.db2.gz RMROIFOERRWTBB-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM C#CCCCNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823840948 1449236768 /nfs/dbraw/zinc/23/67/68/1449236768.db2.gz GXVGMNYAQMXYMQ-UHFFFAOYSA-N -1 1 327.779 2.531 20 30 EFEDMM CN(C)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821589332 1449247056 /nfs/dbraw/zinc/24/70/56/1449247056.db2.gz JPHPUEISTOZASI-FPLPWBNLSA-N -1 1 325.397 2.890 20 30 EFEDMM N#Cc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000822826043 1449247382 /nfs/dbraw/zinc/24/73/82/1449247382.db2.gz SMLDRZILBMXHRC-UHFFFAOYSA-N -1 1 327.351 2.899 20 30 EFEDMM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000826400154 1449380121 /nfs/dbraw/zinc/38/01/21/1449380121.db2.gz QNTUGGWDADDCJE-YVMONPNESA-N -1 1 328.328 2.726 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000822801349 1449413876 /nfs/dbraw/zinc/41/38/76/1449413876.db2.gz HFEHQMISKPUULM-JKSUJKDBSA-N -1 1 331.383 2.538 20 30 EFEDMM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825879012 1449513060 /nfs/dbraw/zinc/51/30/60/1449513060.db2.gz FTJIWMUHYJVBBS-YVMONPNESA-N -1 1 325.397 2.890 20 30 EFEDMM N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1ccc(C2CCCCC2)cc1 ZINC000822814137 1449562462 /nfs/dbraw/zinc/56/24/62/1449562462.db2.gz BMJHWOBGYHEIOY-UHFFFAOYSA-N -1 1 348.414 2.613 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822837883 1449638890 /nfs/dbraw/zinc/63/88/90/1449638890.db2.gz WRVOEPLGRHOIKP-VMPITWQZSA-N -1 1 334.314 2.529 20 30 EFEDMM C=CCC[C@@H](OC(=O)COc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823893967 1449690679 /nfs/dbraw/zinc/69/06/79/1449690679.db2.gz CQYZGUZEUHTLEO-OAHLLOKOSA-N -1 1 328.372 2.534 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CC(C)(C)OC2(C)C)o1 ZINC000820197122 1449711079 /nfs/dbraw/zinc/71/10/79/1449711079.db2.gz GQCUTJCFBBKBPO-UHFFFAOYSA-N -1 1 333.396 2.724 20 30 EFEDMM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825875831 1449742849 /nfs/dbraw/zinc/74/28/49/1449742849.db2.gz ZAELSIBHLHMMTA-YFHOEESVSA-N -1 1 337.358 2.968 20 30 EFEDMM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000819718714 1449840825 /nfs/dbraw/zinc/84/08/25/1449840825.db2.gz OHUYDYDOYWBWPH-UHFFFAOYSA-N -1 1 330.355 2.703 20 30 EFEDMM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000819718714 1449840828 /nfs/dbraw/zinc/84/08/28/1449840828.db2.gz OHUYDYDOYWBWPH-UHFFFAOYSA-N -1 1 330.355 2.703 20 30 EFEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000819718714 1449840830 /nfs/dbraw/zinc/84/08/30/1449840830.db2.gz OHUYDYDOYWBWPH-UHFFFAOYSA-N -1 1 330.355 2.703 20 30 EFEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000822218166 1449887774 /nfs/dbraw/zinc/88/77/74/1449887774.db2.gz YZAYQDYZLOKLQJ-GFCCVEGCSA-N -1 1 347.382 2.930 20 30 EFEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccnc(N(C)C)c1 ZINC000823914941 1450042352 /nfs/dbraw/zinc/04/23/52/1450042352.db2.gz PLWMXOJCPARKRZ-UHFFFAOYSA-N -1 1 349.442 2.516 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccnc(N(C)C)c1 ZINC000823914941 1450042356 /nfs/dbraw/zinc/04/23/56/1450042356.db2.gz PLWMXOJCPARKRZ-UHFFFAOYSA-N -1 1 349.442 2.516 20 30 EFEDMM N#Cc1ccc(-c2ccn(Cc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737709763 1450064319 /nfs/dbraw/zinc/06/43/19/1450064319.db2.gz NQXNHLSXSORYNG-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM C=CC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735410101 1450071155 /nfs/dbraw/zinc/07/11/55/1450071155.db2.gz UHIRSYPLYZCMOK-LLVKDONJSA-N -1 1 330.392 2.740 20 30 EFEDMM Cc1nnc(SCC#Cc2ccc(F)cc2)c(-c2nnn[n-]2)c1C ZINC000826336929 1450246040 /nfs/dbraw/zinc/24/60/40/1450246040.db2.gz VDMQMSDKZHXNOO-UHFFFAOYSA-N -1 1 340.387 2.556 20 30 EFEDMM CN(C)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736774708 1450261681 /nfs/dbraw/zinc/26/16/81/1450261681.db2.gz YDQXOOZURMOISG-VQHVLOKHSA-N -1 1 337.358 2.968 20 30 EFEDMM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1 ZINC000735447502 1450430297 /nfs/dbraw/zinc/43/02/97/1450430297.db2.gz KRCVWOPWCNKCDC-FLIBITNWSA-N -1 1 348.341 2.919 20 30 EFEDMM N#CCCN(Cc1ccco1)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822810774 1450445421 /nfs/dbraw/zinc/44/54/21/1450445421.db2.gz MMTKKYVMHWJOSM-UHFFFAOYSA-N -1 1 347.382 2.628 20 30 EFEDMM CC(=NNc1cc(Cl)nc(C)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958320 1450471018 /nfs/dbraw/zinc/47/10/18/1450471018.db2.gz IXPPSGLDVBRLLL-UHFFFAOYSA-N -1 1 346.757 2.594 20 30 EFEDMM CCCCCCCCCC=CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000913495084 1450482619 /nfs/dbraw/zinc/48/26/19/1450482619.db2.gz QRIVMMWTJPEOGE-JQPIKURYSA-N -1 1 335.452 2.797 20 30 EFEDMM CN(C)C(=O)COc1cccc(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000254971754 713175348 /nfs/dbraw/zinc/17/53/48/713175348.db2.gz FTTKKJVXEFMBII-VURMDHGXSA-N -1 1 343.354 2.894 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)c1 ZINC000050531424 714391578 /nfs/dbraw/zinc/39/15/78/714391578.db2.gz WHHGUSZXSPPJBO-UHFFFAOYSA-N -1 1 329.377 2.564 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C)c(Br)c2)c(=O)o1 ZINC000255330579 714677533 /nfs/dbraw/zinc/67/75/33/714677533.db2.gz ZYYCMMZKGALKKD-IYKSTZQJSA-N -1 1 349.180 2.986 20 30 EFEDMM CC(=O)N(c1nc(/C=C\C(=O)c2cc(O)ccc2[O-])cs1)C1CC1 ZINC000255502627 715466313 /nfs/dbraw/zinc/46/63/13/715466313.db2.gz KJKQOJUZAXKOOJ-KXFIGUGUSA-N -1 1 344.392 2.966 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000122050179 715982767 /nfs/dbraw/zinc/98/27/67/715982767.db2.gz LIUHXHHLFYXOBO-UHFFFAOYSA-N -1 1 330.656 2.850 20 30 EFEDMM [O-]c1c(Br)cc(O)cc1C=NNc1ccnc(F)c1 ZINC000781133400 716014623 /nfs/dbraw/zinc/01/46/23/716014623.db2.gz VANPDZOZJPUZQE-UHFFFAOYSA-N -1 1 326.125 2.840 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161835739 716260672 /nfs/dbraw/zinc/26/06/72/716260672.db2.gz FZLGDZDGZHEOOP-UHFFFAOYSA-N -1 1 328.590 2.619 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157785983 716341851 /nfs/dbraw/zinc/34/18/51/716341851.db2.gz RJGVYDDOFNBSLC-UHFFFAOYSA-N -1 1 341.310 2.917 20 30 EFEDMM CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1O ZINC000972815610 717356820 /nfs/dbraw/zinc/35/68/20/717356820.db2.gz VBPPAEKSONQEQD-FQEVSTJZSA-N -1 1 348.446 2.884 20 30 EFEDMM CCCCCCCCCN(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000841382128 724594172 /nfs/dbraw/zinc/59/41/72/724594172.db2.gz ABHIWLGARIQGRU-UHFFFAOYSA-N -1 1 325.409 2.719 20 30 EFEDMM Cc1cc(C#N)ccc1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000893913495 720157860 /nfs/dbraw/zinc/15/78/60/720157860.db2.gz OROXZXVDYNAPCC-ZDUSSCGKSA-N -1 1 325.334 2.762 20 30 EFEDMM CC(C)n1c(CCNC(=O)C=Cc2ccccc2C#N)n[n-]c1=S ZINC000067073118 720265404 /nfs/dbraw/zinc/26/54/04/720265404.db2.gz TYMZEAGZKZAHCQ-BQYQJAHWSA-N -1 1 341.440 2.765 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(F)c2)c(=O)o1 ZINC000162539892 720654195 /nfs/dbraw/zinc/65/41/95/720654195.db2.gz UPZULCNWSKEOLI-KWEXDPCDSA-N -1 1 340.253 2.655 20 30 EFEDMM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000162712468 720975407 /nfs/dbraw/zinc/97/54/07/720975407.db2.gz ONIRLRHMWYSNQI-UHFFFAOYSA-N -1 1 343.404 2.894 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000918381183 728872804 /nfs/dbraw/zinc/87/28/04/728872804.db2.gz UMQZQPLZNULMIE-ZDUSSCGKSA-N -1 1 344.477 2.914 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc2cc(Cl)ccc2o1 ZINC000731155092 726813388 /nfs/dbraw/zinc/81/33/88/726813388.db2.gz RRHGYQVSQVESKC-UHFFFAOYSA-N -1 1 342.746 2.668 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(SC(C)C)cc1 ZINC000731157296 726813713 /nfs/dbraw/zinc/81/37/13/726813713.db2.gz JZDWXFCYBSSOLX-UHFFFAOYSA-N -1 1 342.428 2.769 20 30 EFEDMM C=CCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000909712068 727366132 /nfs/dbraw/zinc/36/61/32/727366132.db2.gz GQEWCWVBUUMIJN-IRXDYDNUSA-N -1 1 330.428 2.577 20 30 EFEDMM C=CCC[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000909712068 727366134 /nfs/dbraw/zinc/36/61/34/727366134.db2.gz GQEWCWVBUUMIJN-IRXDYDNUSA-N -1 1 330.428 2.577 20 30 EFEDMM C=CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250690 727423862 /nfs/dbraw/zinc/42/38/62/727423862.db2.gz OGEWYVBRHJTSTP-DLBZAZTESA-N -1 1 330.428 2.607 20 30 EFEDMM C=CCC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910250690 727423863 /nfs/dbraw/zinc/42/38/63/727423863.db2.gz OGEWYVBRHJTSTP-DLBZAZTESA-N -1 1 330.428 2.607 20 30 EFEDMM C=CCCC[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000910916072 727471927 /nfs/dbraw/zinc/47/19/27/727471927.db2.gz DAXHGTMZVWRVFK-QZTJIDSGSA-N -1 1 344.455 2.967 20 30 EFEDMM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000910942454 727474499 /nfs/dbraw/zinc/47/44/99/727474499.db2.gz VWGSGDHGSUDWHE-MRXNPFEDSA-N -1 1 334.379 2.739 20 30 EFEDMM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000910942453 727474530 /nfs/dbraw/zinc/47/45/30/727474530.db2.gz VWGSGDHGSUDWHE-INIZCTEOSA-N -1 1 334.379 2.739 20 30 EFEDMM CCOc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OC(F)F ZINC000916241422 727668015 /nfs/dbraw/zinc/66/80/15/727668015.db2.gz AFAJZOHMFFHSMY-UHFFFAOYSA-N -1 1 338.314 2.937 20 30 EFEDMM Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)n1C[C@@H]1CCCO1 ZINC000916241581 727670084 /nfs/dbraw/zinc/67/00/84/727670084.db2.gz LWWSMKSURMDHNG-HNNXBMFYSA-N -1 1 329.404 2.534 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1 ZINC000916951385 727748126 /nfs/dbraw/zinc/74/81/26/727748126.db2.gz YZKUSKDELASBLK-CYBMUJFWSA-N -1 1 342.376 2.920 20 30 EFEDMM C#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000170710585 728467162 /nfs/dbraw/zinc/46/71/62/728467162.db2.gz XJEZFQPRIIZUNF-UHFFFAOYSA-N -1 1 329.377 2.586 20 30 EFEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000170719171 728469841 /nfs/dbraw/zinc/46/98/41/728469841.db2.gz ZCNDQSMRBQYVIS-UHFFFAOYSA-N -1 1 347.367 2.807 20 30 EFEDMM C#CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000172922961 728610672 /nfs/dbraw/zinc/61/06/72/728610672.db2.gz GWWDGSHGMCNUOY-UHFFFAOYSA-N -1 1 342.420 2.631 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000174446014 728665521 /nfs/dbraw/zinc/66/55/21/728665521.db2.gz PHCAAPTXYHMPII-CQSZACIVSA-N -1 1 343.404 2.974 20 30 EFEDMM N#CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000180126870 729692936 /nfs/dbraw/zinc/69/29/36/729692936.db2.gz IAAFVNSWROKLKD-UHFFFAOYSA-N -1 1 344.392 2.948 20 30 EFEDMM N#Cc1cccc(-c2nnc(CN3CCC[C@@H](CCC(=O)[O-])C3)o2)c1 ZINC001601116089 970935742 /nfs/dbraw/zinc/93/57/42/970935742.db2.gz JSWPGQGYQIJXTA-ZDUSSCGKSA-N -1 1 340.383 2.685 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001573326767 947376959 /nfs/dbraw/zinc/37/69/59/947376959.db2.gz UKRXTHGWDVJMNP-AWEZNQCLSA-N -1 1 337.383 2.685 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001573326767 947376966 /nfs/dbraw/zinc/37/69/66/947376966.db2.gz UKRXTHGWDVJMNP-AWEZNQCLSA-N -1 1 337.383 2.685 20 30 EFEDMM C[C@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C(=O)[O-] ZINC001589355021 954122489 /nfs/dbraw/zinc/12/24/89/954122489.db2.gz LMLSPCJZZZTDAK-GXFFZTMASA-N -1 1 337.217 2.863 20 30 EFEDMM N#CC(C(=O)[C@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600716 956124811 /nfs/dbraw/zinc/12/48/11/956124811.db2.gz DQOQOGSJQAVHER-BXKDBHETSA-N -1 1 333.294 2.718 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588558020 959076571 /nfs/dbraw/zinc/07/65/71/959076571.db2.gz OAYCIFXYOPAMME-NEPJUHHUSA-N -1 1 349.818 2.725 20 30 EFEDMM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001573822242 960968547 /nfs/dbraw/zinc/96/85/47/960968547.db2.gz GIRAMHHDMBATSC-SGTLLEGYSA-N -1 1 347.415 2.672 20 30 EFEDMM CC[C@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001573822243 960969103 /nfs/dbraw/zinc/96/91/03/960969103.db2.gz GIRAMHHDMBATSC-XIKOKIGWSA-N -1 1 347.415 2.672 20 30 EFEDMM N#Cc1ccc([C@@H](N[C@@H](CO)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001571190977 962249802 /nfs/dbraw/zinc/24/98/02/962249802.db2.gz FSYNHUVKTOLQDA-JKSUJKDBSA-N -1 1 330.771 2.661 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001573339133 962887411 /nfs/dbraw/zinc/88/74/11/962887411.db2.gz PCAZKNQTEVIOQE-UHFFFAOYSA-N -1 1 338.161 2.685 20 30 EFEDMM C=CCCC[C@@H](NC(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC001573364817 963050700 /nfs/dbraw/zinc/05/07/00/963050700.db2.gz BVEDUDVRTXMFIN-LLVKDONJSA-N -1 1 342.189 2.694 20 30 EFEDMM C=CCCC[C@H](NC(=O)c1cccc(C(F)(F)F)c1O)C(=O)[O-] ZINC001573365763 963054848 /nfs/dbraw/zinc/05/48/48/963054848.db2.gz HZGTUEVCKHYOSA-NSHDSACASA-N -1 1 331.290 2.950 20 30 EFEDMM N#CC(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001605577070 973853924 /nfs/dbraw/zinc/85/39/24/973853924.db2.gz WLELDZVNENYSFU-OPRDCNLKSA-N -1 1 333.294 2.718 20 30 EFEDMM N#Cc1cc(F)ccc1N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000873643275 980166494 /nfs/dbraw/zinc/16/64/94/980166494.db2.gz GSGXXYDEFPEHEO-UHFFFAOYSA-N -1 1 339.370 2.718 20 30 EFEDMM C=CCOc1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900070917 980242888 /nfs/dbraw/zinc/24/28/88/980242888.db2.gz PGOBXYGPACYXTR-HNNXBMFYSA-N -1 1 327.384 2.771 20 30 EFEDMM C=CCOc1c(Cl)cc(CN2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000901488455 980311843 /nfs/dbraw/zinc/31/18/43/980311843.db2.gz GMPBUCHAKMETGX-GFCCVEGCSA-N -1 1 325.792 2.820 20 30 EFEDMM C#C[C@H](NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(Br)cc1 ZINC001588377365 983356748 /nfs/dbraw/zinc/35/67/48/983356748.db2.gz LAJHWPYCNIHJKI-GRYCIOLGSA-N -1 1 344.155 2.679 20 30 EFEDMM C#CCC1(O)CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001588431024 983464207 /nfs/dbraw/zinc/46/42/07/983464207.db2.gz FFLGTKJVNMKZSS-CQSZACIVSA-N -1 1 342.222 2.969 20 30 EFEDMM C#CC[C@@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001588434876 983472951 /nfs/dbraw/zinc/47/29/51/983472951.db2.gz WSPZCEBWGGARQZ-SNVBAGLBSA-N -1 1 326.190 2.976 20 30 EFEDMM C=CC[C@H](C(=O)[O-])N1CCc2ccc(F)c(Br)c2C1 ZINC001588731250 984007509 /nfs/dbraw/zinc/00/75/09/984007509.db2.gz GRCOEJZMAMKMQD-GFCCVEGCSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCC[C@H](C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccccc1 ZINC001588777224 984155359 /nfs/dbraw/zinc/15/53/59/984155359.db2.gz XNCWITFBJZRFCJ-WMZOPIPTSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCC[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC001588777180 984155436 /nfs/dbraw/zinc/15/54/36/984155436.db2.gz VONWDTWUDQMRDP-WMZOPIPTSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCC[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001588777176 984155512 /nfs/dbraw/zinc/15/55/12/984155512.db2.gz VONWDTWUDQMRDP-AEFFLSMTSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCC[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC001588777177 984155587 /nfs/dbraw/zinc/15/55/87/984155587.db2.gz VONWDTWUDQMRDP-FUHWJXTLSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCCC[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC001588793062 984216044 /nfs/dbraw/zinc/21/60/44/984216044.db2.gz KTJTZAZWVPNPBE-QGZVFWFLSA-N -1 1 339.395 2.786 20 30 EFEDMM C=CCCc1ccccc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001588817616 984276440 /nfs/dbraw/zinc/27/64/40/984276440.db2.gz PVJCLAAPWBPNTR-UHFFFAOYSA-N -1 1 332.381 2.699 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001588879546 984457881 /nfs/dbraw/zinc/45/78/81/984457881.db2.gz FAQJLOLYHDDZED-CQSZACIVSA-N -1 1 348.468 2.586 20 30 EFEDMM C[C@H]1CC[C@@](NCC(=O)N(CCC#N)c2ccccc2)(C(=O)[O-])CC1 ZINC001599907266 984940301 /nfs/dbraw/zinc/94/03/01/984940301.db2.gz AZBYGCXYUWKBFY-RHDGDCLCSA-N -1 1 343.427 2.556 20 30 EFEDMM CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001597543208 988238790 /nfs/dbraw/zinc/23/87/90/988238790.db2.gz WWOBOZQSZBLIKJ-ZDUSSCGKSA-N -1 1 326.308 2.501 20 30 EFEDMM CCn1cc(CN2CCC(C#N)(C(=O)[O-])CC2)c(-c2ccccc2)n1 ZINC001597887187 989730071 /nfs/dbraw/zinc/73/00/71/989730071.db2.gz DMAHQBOKEYASHS-UHFFFAOYSA-N -1 1 338.411 2.760 20 30 EFEDMM CC(C)(NCCCOc1ccc(C#N)cc1)c1cc(C(=O)[O-])on1 ZINC001590870542 990773335 /nfs/dbraw/zinc/77/33/35/990773335.db2.gz PBRVYXPBPYGQJW-UHFFFAOYSA-N -1 1 329.356 2.538 20 30 EFEDMM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H](Cc2ccccc2)C1 ZINC001598619152 993963569 /nfs/dbraw/zinc/96/35/69/993963569.db2.gz IFRVAMNEGJDTEP-GOSISDBHSA-N -1 1 349.434 2.615 20 30 EFEDMM COc1cccc([C@H](C(=O)[O-])N(C)Cc2ccc(C#N)cc2OC)c1 ZINC001599648927 994466739 /nfs/dbraw/zinc/46/67/39/994466739.db2.gz APMLPUMLTOPNOW-GOSISDBHSA-N -1 1 340.379 2.833 20 30 EFEDMM CO[C@@]1(C(F)(F)F)CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599083462 997049777 /nfs/dbraw/zinc/04/97/77/997049777.db2.gz JTHLKTCEOYTWCI-HIFRSBDPSA-N -1 1 342.317 2.727 20 30 EFEDMM CO[C@]1(C(F)(F)F)CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC001599083464 997049947 /nfs/dbraw/zinc/04/99/47/997049947.db2.gz JTHLKTCEOYTWCI-UKRRQHHQSA-N -1 1 342.317 2.727 20 30 EFEDMM COc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1OCC(C)C ZINC001599563079 998237821 /nfs/dbraw/zinc/23/78/21/998237821.db2.gz JUKPGHDIXLHDHA-UHFFFAOYSA-N -1 1 346.427 2.920 20 30 EFEDMM COC(=O)c1cccc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1C#N ZINC001598994721 998768958 /nfs/dbraw/zinc/76/89/58/998768958.db2.gz CLXGQJODLFFCIV-AWEZNQCLSA-N -1 1 344.411 2.668 20 30 EFEDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001594211193 998821970 /nfs/dbraw/zinc/82/19/70/998821970.db2.gz ZXTWRZDLLKRKGL-JJLQDPRZSA-N -1 1 340.383 2.682 20 30 EFEDMM C[C@@H]1CCc2ccccc2N1CCNC(=O)c1ccc(C#N)c([O-])c1 ZINC001647157216 1089012119 /nfs/dbraw/zinc/01/21/19/1089012119.db2.gz VZVXZQQEJFGZBE-CQSZACIVSA-N -1 1 335.407 2.835 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2ccsc2-c2nnn[n-]2)c1C#N ZINC001578492701 1090385543 /nfs/dbraw/zinc/38/55/43/1090385543.db2.gz HKJAKVQIUIHKDO-UHFFFAOYSA-N -1 1 344.425 2.985 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2ccsc2-c2nn[n-]n2)c1C#N ZINC001578492701 1090385549 /nfs/dbraw/zinc/38/55/49/1090385549.db2.gz HKJAKVQIUIHKDO-UHFFFAOYSA-N -1 1 344.425 2.985 20 30 EFEDMM O=S1(=O)[N-]/C(=N/C[C@H]2CCCCC(F)(F)C2)c2ccccc21 ZINC001649815355 1092702856 /nfs/dbraw/zinc/70/28/56/1092702856.db2.gz SESYICFWDCSRJT-NSHDSACASA-N -1 1 328.384 2.941 20 30 EFEDMM COc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)c(F)cc1C#N ZINC001588232624 1092906001 /nfs/dbraw/zinc/90/60/01/1092906001.db2.gz OGSBCSMQEMQGIF-UHFFFAOYSA-N -1 1 337.310 2.800 20 30 EFEDMM C#C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588328164 1092925822 /nfs/dbraw/zinc/92/58/22/1092925822.db2.gz ADFJVAZTYDHJLO-SECBINFHSA-N -1 1 334.767 2.902 20 30 EFEDMM C#C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588328164 1092925833 /nfs/dbraw/zinc/92/58/33/1092925833.db2.gz ADFJVAZTYDHJLO-SECBINFHSA-N -1 1 334.767 2.902 20 30 EFEDMM C#CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588334242 1092929970 /nfs/dbraw/zinc/92/99/70/1092929970.db2.gz REGYZQZPWAZQQR-CQSZACIVSA-N -1 1 348.366 2.821 20 30 EFEDMM C#CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588334242 1092929980 /nfs/dbraw/zinc/92/99/80/1092929980.db2.gz REGYZQZPWAZQQR-CQSZACIVSA-N -1 1 348.366 2.821 20 30 EFEDMM C#CCOc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC001588362236 1092932047 /nfs/dbraw/zinc/93/20/47/1092932047.db2.gz WZBQJKHIERKJIO-UHFFFAOYSA-N -1 1 346.803 2.601 20 30 EFEDMM C#CCOc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC001588362236 1092932057 /nfs/dbraw/zinc/93/20/57/1092932057.db2.gz WZBQJKHIERKJIO-UHFFFAOYSA-N -1 1 346.803 2.601 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001588425711 1092944429 /nfs/dbraw/zinc/94/44/29/1092944429.db2.gz PZBBNSWJHLKZOQ-NSHDSACASA-N -1 1 349.435 2.911 20 30 EFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001588429454 1092944606 /nfs/dbraw/zinc/94/46/06/1092944606.db2.gz BNRFNKMSQGNOFA-UHFFFAOYSA-N -1 1 338.419 2.622 20 30 EFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001588429454 1092944611 /nfs/dbraw/zinc/94/46/11/1092944611.db2.gz BNRFNKMSQGNOFA-UHFFFAOYSA-N -1 1 338.419 2.622 20 30 EFEDMM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588426020 1092945383 /nfs/dbraw/zinc/94/53/83/1092945383.db2.gz GWBUJNFQRRNOGG-UHFFFAOYSA-N -1 1 349.398 2.872 20 30 EFEDMM C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588426020 1092945396 /nfs/dbraw/zinc/94/53/96/1092945396.db2.gz GWBUJNFQRRNOGG-UHFFFAOYSA-N -1 1 349.398 2.872 20 30 EFEDMM C=C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588518501 1092953863 /nfs/dbraw/zinc/95/38/63/1092953863.db2.gz DSRFPCQYTQMMKM-GFCCVEGCSA-N -1 1 339.424 2.904 20 30 EFEDMM C=CC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588530433 1092955268 /nfs/dbraw/zinc/95/52/68/1092955268.db2.gz LSWNRBNUJQLVBX-AWEZNQCLSA-N -1 1 339.424 2.904 20 30 EFEDMM C=CCCN(Cc1ccnc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC001588603260 1092967106 /nfs/dbraw/zinc/96/71/06/1092967106.db2.gz JWVPJDDRKQFEGX-UHFFFAOYSA-N -1 1 336.399 2.772 20 30 EFEDMM C=CCCN(Cc1ccnc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC001588603260 1092967116 /nfs/dbraw/zinc/96/71/16/1092967116.db2.gz JWVPJDDRKQFEGX-UHFFFAOYSA-N -1 1 336.399 2.772 20 30 EFEDMM C=CCN(CC1CCCCC1)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001588628113 1092969717 /nfs/dbraw/zinc/96/97/17/1092969717.db2.gz RNOYENPUNRSXTN-UHFFFAOYSA-N -1 1 327.436 2.792 20 30 EFEDMM C=CCN(CC1CCCCC1)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001588628113 1092969726 /nfs/dbraw/zinc/96/97/26/1092969726.db2.gz RNOYENPUNRSXTN-UHFFFAOYSA-N -1 1 327.436 2.792 20 30 EFEDMM C=CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001588689691 1092981568 /nfs/dbraw/zinc/98/15/68/1092981568.db2.gz JZFPPCQOQYBNCG-UHFFFAOYSA-N -1 1 342.380 2.850 20 30 EFEDMM C=CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001588689691 1092981578 /nfs/dbraw/zinc/98/15/78/1092981578.db2.gz JZFPPCQOQYBNCG-UHFFFAOYSA-N -1 1 342.380 2.850 20 30 EFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccnc(F)c1 ZINC001588781154 1092992197 /nfs/dbraw/zinc/99/21/97/1092992197.db2.gz IMVKQUUGVKNFAC-UHFFFAOYSA-N -1 1 344.354 2.522 20 30 EFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C1CC(F)(F)C1 ZINC001588781393 1092992997 /nfs/dbraw/zinc/99/29/97/1092992997.db2.gz ZQKMSZDEHVPIGI-UHFFFAOYSA-N -1 1 339.350 2.985 20 30 EFEDMM CC(C)O[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC001589737527 1093129007 /nfs/dbraw/zinc/12/90/07/1093129007.db2.gz MGTYYSLBLQSCII-NSHDSACASA-N -1 1 347.423 2.970 20 30 EFEDMM C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cccc(C2CC2)c1 ZINC001589987046 1093210722 /nfs/dbraw/zinc/21/07/22/1093210722.db2.gz BURIDYLFHQXSIT-JTQLQIEISA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001590011235 1093221548 /nfs/dbraw/zinc/22/15/48/1093221548.db2.gz RPPNSDRTTPZEQM-JTQLQIEISA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001590011235 1093221556 /nfs/dbraw/zinc/22/15/56/1093221556.db2.gz RPPNSDRTTPZEQM-JTQLQIEISA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590051109 1093246110 /nfs/dbraw/zinc/24/61/10/1093246110.db2.gz VQKUKBLPMLHFMD-LLVKDONJSA-N -1 1 346.398 2.603 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590051109 1093246116 /nfs/dbraw/zinc/24/61/16/1093246116.db2.gz VQKUKBLPMLHFMD-LLVKDONJSA-N -1 1 346.398 2.603 20 30 EFEDMM CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1ccc(Cl)c(N)c1 ZINC001590359088 1093390642 /nfs/dbraw/zinc/39/06/42/1093390642.db2.gz NADQSTNRRPFYLB-UHFFFAOYSA-N -1 1 346.782 2.625 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(C)(C)c1ccccc1 ZINC001590472134 1093443748 /nfs/dbraw/zinc/44/37/48/1093443748.db2.gz AVMDKXQIUSXGJT-AWEZNQCLSA-N -1 1 348.414 2.697 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(C)(C)c1ccccc1 ZINC001590472134 1093443751 /nfs/dbraw/zinc/44/37/51/1093443751.db2.gz AVMDKXQIUSXGJT-AWEZNQCLSA-N -1 1 348.414 2.697 20 30 EFEDMM CCCCCCCCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001590592089 1093502510 /nfs/dbraw/zinc/50/25/10/1093502510.db2.gz BLXSOELQSDNZCQ-UHFFFAOYSA-N -1 1 347.419 2.566 20 30 EFEDMM CCCCCCCCOCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590592154 1093503126 /nfs/dbraw/zinc/50/31/26/1093503126.db2.gz FFZDQYJGPHVNSJ-UHFFFAOYSA-N -1 1 338.437 2.639 20 30 EFEDMM CCCCCCCCOCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590592154 1093503132 /nfs/dbraw/zinc/50/31/32/1093503132.db2.gz FFZDQYJGPHVNSJ-UHFFFAOYSA-N -1 1 338.437 2.639 20 30 EFEDMM CCCCN(C)c1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001590600760 1093512556 /nfs/dbraw/zinc/51/25/56/1093512556.db2.gz TVSCDSUECKVQPP-UHFFFAOYSA-N -1 1 349.402 2.508 20 30 EFEDMM CCCCN(C)c1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001590600760 1093512562 /nfs/dbraw/zinc/51/25/62/1093512562.db2.gz TVSCDSUECKVQPP-UHFFFAOYSA-N -1 1 349.402 2.508 20 30 EFEDMM CCc1nc(Oc2cc(Cl)ccc2C#N)cc(-c2nnn[n-]2)n1 ZINC001590925168 1093632677 /nfs/dbraw/zinc/63/26/77/1093632677.db2.gz KPAMTJXWOMEXKX-UHFFFAOYSA-N -1 1 327.735 2.536 20 30 EFEDMM CCc1nc(Oc2cc(Cl)ccc2C#N)cc(-c2nn[n-]n2)n1 ZINC001590925168 1093632679 /nfs/dbraw/zinc/63/26/79/1093632679.db2.gz KPAMTJXWOMEXKX-UHFFFAOYSA-N -1 1 327.735 2.536 20 30 EFEDMM CO[C@]1(C)CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC001591338951 1093698204 /nfs/dbraw/zinc/69/82/04/1093698204.db2.gz IOIWINCDJRLXSX-MRXNPFEDSA-N -1 1 347.423 2.656 20 30 EFEDMM COc1cccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1F ZINC001591634480 1093808281 /nfs/dbraw/zinc/80/82/81/1093808281.db2.gz GAGVZKOOOBQZOW-UHFFFAOYSA-N -1 1 345.338 2.572 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)n(C)n1 ZINC001591906709 1093912773 /nfs/dbraw/zinc/91/27/73/1093912773.db2.gz CNYWRRPRRKLRLE-XQRVVYSFSA-N -1 1 346.753 2.597 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)n(C)n1 ZINC001591906709 1093912777 /nfs/dbraw/zinc/91/27/77/1093912777.db2.gz CNYWRRPRRKLRLE-XQRVVYSFSA-N -1 1 346.753 2.597 20 30 EFEDMM Cc1cc(C)cc(NN=C2CCCc3c2c[nH]c(=O)c3-c2nn[n-]n2)c1 ZINC001591954125 1093932299 /nfs/dbraw/zinc/93/22/99/1093932299.db2.gz ICTZUUBOOHNQQN-UHFFFAOYSA-N -1 1 349.398 2.737 20 30 EFEDMM Cc1cc(Cl)cc2c1OC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591976327 1093942667 /nfs/dbraw/zinc/94/26/67/1093942667.db2.gz ILOJXUQKKIUIMW-WMZJFQQLSA-N -1 1 345.771 2.901 20 30 EFEDMM Cc1cc(Cl)cc2c1OC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591976327 1093942670 /nfs/dbraw/zinc/94/26/70/1093942670.db2.gz ILOJXUQKKIUIMW-WMZJFQQLSA-N -1 1 345.771 2.901 20 30 EFEDMM Cc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)c(-c2nnn[n-]2)n1 ZINC001592184497 1094021153 /nfs/dbraw/zinc/02/11/53/1094021153.db2.gz STQQFHQYBLZNGN-OAHLLOKOSA-N -1 1 331.383 2.931 20 30 EFEDMM Cc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)c(-c2nn[n-]n2)n1 ZINC001592184497 1094021161 /nfs/dbraw/zinc/02/11/61/1094021161.db2.gz STQQFHQYBLZNGN-OAHLLOKOSA-N -1 1 331.383 2.931 20 30 EFEDMM Cc1ccc2ccc(Oc3cnc(C#N)c(-c4nn[n-]n4)n3)cc2c1 ZINC001592208179 1094032022 /nfs/dbraw/zinc/03/20/22/1094032022.db2.gz SZCPDFYZVJYDIW-UHFFFAOYSA-N -1 1 329.323 2.782 20 30 EFEDMM Cc1ccccc1SC[C@@H](C)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001592259921 1094057049 /nfs/dbraw/zinc/05/70/49/1094057049.db2.gz WFDGTLHFAYPZTI-NSHDSACASA-N -1 1 339.428 2.672 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCSc1cccc(Cl)c1 ZINC001592335085 1094079252 /nfs/dbraw/zinc/07/92/52/1094079252.db2.gz KWFTWDZSWRFHAP-UHFFFAOYSA-N -1 1 345.819 2.689 20 30 EFEDMM N#CC1(CCCSCc2ccc(-c3nnn[n-]3)o2)CCOCC1 ZINC001592669184 1094173643 /nfs/dbraw/zinc/17/36/43/1094173643.db2.gz UFWIDJMTXWPJLM-UHFFFAOYSA-N -1 1 333.417 2.793 20 30 EFEDMM N#CC1(CCCSCc2ccc(-c3nn[n-]n3)o2)CCOCC1 ZINC001592669184 1094173646 /nfs/dbraw/zinc/17/36/46/1094173646.db2.gz UFWIDJMTXWPJLM-UHFFFAOYSA-N -1 1 333.417 2.793 20 30 EFEDMM N#CCC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001592674683 1094174787 /nfs/dbraw/zinc/17/47/87/1094174787.db2.gz JIGPYSJFNBRLMG-CQSZACIVSA-N -1 1 346.398 2.991 20 30 EFEDMM N#CCC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001592674683 1094174792 /nfs/dbraw/zinc/17/47/92/1094174792.db2.gz JIGPYSJFNBRLMG-CQSZACIVSA-N -1 1 346.398 2.991 20 30 EFEDMM N#CCCCC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592674847 1094175379 /nfs/dbraw/zinc/17/53/79/1094175379.db2.gz LEXHYJLWNUEYSG-UHFFFAOYSA-N -1 1 349.354 2.686 20 30 EFEDMM N#CCCCC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592674847 1094175385 /nfs/dbraw/zinc/17/53/85/1094175385.db2.gz LEXHYJLWNUEYSG-UHFFFAOYSA-N -1 1 349.354 2.686 20 30 EFEDMM N#Cc1c(F)cccc1Sc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592687292 1094177277 /nfs/dbraw/zinc/17/72/77/1094177277.db2.gz VKXIPZQAOCHKDU-UHFFFAOYSA-N -1 1 339.359 2.696 20 30 EFEDMM N#Cc1c(F)cccc1Sc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592687292 1094177279 /nfs/dbraw/zinc/17/72/79/1094177279.db2.gz VKXIPZQAOCHKDU-UHFFFAOYSA-N -1 1 339.359 2.696 20 30 EFEDMM N#Cc1ccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)cc1F ZINC001592694111 1094178846 /nfs/dbraw/zinc/17/88/46/1094178846.db2.gz KOAUSZVAWDWRPG-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1ccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)cc1F ZINC001592694111 1094178849 /nfs/dbraw/zinc/17/88/49/1094178849.db2.gz KOAUSZVAWDWRPG-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM N#Cc1ccc(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001592691799 1094179226 /nfs/dbraw/zinc/17/92/26/1094179226.db2.gz BYKPZTPLBDJZKE-UHFFFAOYSA-N -1 1 331.383 2.517 20 30 EFEDMM N#Cc1ccc(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001592691799 1094179233 /nfs/dbraw/zinc/17/92/33/1094179233.db2.gz BYKPZTPLBDJZKE-UHFFFAOYSA-N -1 1 331.383 2.517 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccnn1C1CCC1 ZINC001592790980 1094186817 /nfs/dbraw/zinc/18/68/17/1094186817.db2.gz BGDIPSCZLZWJMG-XQRVVYSFSA-N -1 1 326.385 2.746 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)c1ccncc1 ZINC001592792889 1094188095 /nfs/dbraw/zinc/18/80/95/1094188095.db2.gz VWNZSLUYJVULTE-DUXPYHPUSA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)c1ccncc1 ZINC001592792889 1094188098 /nfs/dbraw/zinc/18/80/98/1094188098.db2.gz VWNZSLUYJVULTE-DUXPYHPUSA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1csc(-c2nn[n-]n2)c1)c1cnn(CC2CCC2)c1 ZINC001592804052 1094191759 /nfs/dbraw/zinc/19/17/59/1094191759.db2.gz SZMHRJPGDHIOPI-SNAWJCMRSA-N -1 1 340.412 2.821 20 30 EFEDMM O=C(OCCC#Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593287554 1094268813 /nfs/dbraw/zinc/26/88/13/1094268813.db2.gz YKHTUJNPYGDFCJ-UHFFFAOYSA-N -1 1 336.326 2.604 20 30 EFEDMM O=C(OCCC#Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593287554 1094268818 /nfs/dbraw/zinc/26/88/18/1094268818.db2.gz YKHTUJNPYGDFCJ-UHFFFAOYSA-N -1 1 336.326 2.604 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)Oc2cc(F)cc(F)c21 ZINC001593376455 1094303525 /nfs/dbraw/zinc/30/35/25/1094303525.db2.gz OADFIMWXSMVADC-BJMVGYQFSA-N -1 1 332.291 2.823 20 30 EFEDMM C=C(Cl)CN1CCC[C@@H]2[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)[C@@H]21 ZINC001087282759 1094877649 /nfs/dbraw/zinc/87/76/49/1094877649.db2.gz DKMYQTBVRTUUSH-DAXOMENPSA-N -1 1 349.862 2.759 20 30 EFEDMM C#C[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000843638148 1094970615 /nfs/dbraw/zinc/97/06/15/1094970615.db2.gz XLACPPRVADELFO-HNNXBMFYSA-N -1 1 341.436 2.636 20 30 EFEDMM N#Cc1c(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cccc1C(=O)[O-] ZINC001601080936 1095496280 /nfs/dbraw/zinc/49/62/80/1095496280.db2.gz BUQYMENWDSZHBK-ROUUACIJSA-N -1 1 347.418 2.715 20 30 EFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC001601095376 1095507306 /nfs/dbraw/zinc/50/73/06/1095507306.db2.gz PCWOTNOPAUVTOL-CTNGQTDRSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)nc1 ZINC001601101252 1095513365 /nfs/dbraw/zinc/51/33/65/1095513365.db2.gz FRLSAUDIZLXTRO-CQSZACIVSA-N -1 1 346.184 2.631 20 30 EFEDMM N#Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC001601102483 1095513720 /nfs/dbraw/zinc/51/37/20/1095513720.db2.gz DTZDBDCWAHDTQM-KRWDZBQOSA-N -1 1 326.327 2.548 20 30 EFEDMM N#Cc1cccc(C2(NCc3cc(C(=O)[O-])co3)CCOCC2)c1 ZINC001601120314 1095524840 /nfs/dbraw/zinc/52/48/40/1095524840.db2.gz QDAWZRZNBSKOFP-UHFFFAOYSA-N -1 1 326.352 2.645 20 30 EFEDMM N#Cc1cccc(C2(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)CC2)c1 ZINC001601120417 1095525033 /nfs/dbraw/zinc/52/50/33/1095525033.db2.gz UJWJSBKRLXHFOC-UHFFFAOYSA-N -1 1 346.346 2.803 20 30 EFEDMM N#Cc1cccc2[nH]cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)c21 ZINC001601124862 1095528982 /nfs/dbraw/zinc/52/89/82/1095528982.db2.gz WGWHWTLYJIOJFW-UHFFFAOYSA-N -1 1 345.318 2.866 20 30 EFEDMM N#Cc1ccccc1OCCN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601126531 1095531554 /nfs/dbraw/zinc/53/15/54/1095531554.db2.gz DFLTTYOBHAUMQT-OLZOCXBDSA-N -1 1 342.317 2.522 20 30 EFEDMM N#Cc1cncc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001601131208 1095533958 /nfs/dbraw/zinc/53/39/58/1095533958.db2.gz SOZDKLINTAAVBB-AWEZNQCLSA-N -1 1 346.184 2.631 20 30 EFEDMM N#Cc1csc(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001601132035 1095535100 /nfs/dbraw/zinc/53/51/00/1095535100.db2.gz BWVOMPNQNHEPGT-UONOGXRCSA-N -1 1 347.827 2.968 20 30 EFEDMM C=C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001602780425 1096369278 /nfs/dbraw/zinc/36/92/78/1096369278.db2.gz MVFDDMAUSPHKHP-ZDUSSCGKSA-N -1 1 325.397 2.514 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N(CCC)c1snc(C)c1-c1nnn[n-]1 ZINC001602799452 1096372143 /nfs/dbraw/zinc/37/21/43/1096372143.db2.gz BOGLNXZAKNJTBB-NSHDSACASA-N -1 1 334.449 2.977 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N(CCC)c1snc(C)c1-c1nn[n-]n1 ZINC001602799452 1096372151 /nfs/dbraw/zinc/37/21/51/1096372151.db2.gz BOGLNXZAKNJTBB-NSHDSACASA-N -1 1 334.449 2.977 20 30 EFEDMM CC(C)(C)Oc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1C#N ZINC001603108655 1096445677 /nfs/dbraw/zinc/44/56/77/1096445677.db2.gz YMNCUUZDMKWSJK-UHFFFAOYSA-N -1 1 349.398 2.923 20 30 EFEDMM CC(C)(C)Oc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1C#N ZINC001603108655 1096445682 /nfs/dbraw/zinc/44/56/82/1096445682.db2.gz YMNCUUZDMKWSJK-UHFFFAOYSA-N -1 1 349.398 2.923 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCC2CCSCC2)o1 ZINC001603122479 1096451128 /nfs/dbraw/zinc/45/11/28/1096451128.db2.gz MKKIECBWFFAZCL-UHFFFAOYSA-N -1 1 335.437 2.693 20 30 EFEDMM CC(C)[C@@H](Cc1ccccc1)NN=Cc1nc(-c2nnn[n-]2)cs1 ZINC001603223751 1096477460 /nfs/dbraw/zinc/47/74/60/1096477460.db2.gz PBLZMLPKBDJGCI-CYBMUJFWSA-N -1 1 341.444 2.514 20 30 EFEDMM CC(C)[C@@H](Cc1ccccc1)NN=Cc1nc(-c2nn[n-]n2)cs1 ZINC001603223751 1096477464 /nfs/dbraw/zinc/47/74/64/1096477464.db2.gz PBLZMLPKBDJGCI-CYBMUJFWSA-N -1 1 341.444 2.514 20 30 EFEDMM CC(C)C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1 ZINC001603265224 1096488772 /nfs/dbraw/zinc/48/87/72/1096488772.db2.gz MQHPWHBMVGQMJJ-ZDUSSCGKSA-N -1 1 334.387 2.728 20 30 EFEDMM CC(C)C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1 ZINC001603265224 1096488776 /nfs/dbraw/zinc/48/87/76/1096488776.db2.gz MQHPWHBMVGQMJJ-ZDUSSCGKSA-N -1 1 334.387 2.728 20 30 EFEDMM CC(C)CC[C@@H]1CCC[C@@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603278633 1096494472 /nfs/dbraw/zinc/49/44/72/1096494472.db2.gz RQIACPKDQAJHLU-RYUDHWBXSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CC[C@@H]1CCC[C@@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603278633 1096494477 /nfs/dbraw/zinc/49/44/77/1096494477.db2.gz RQIACPKDQAJHLU-RYUDHWBXSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CS[C@H](C(C)C)C2)o1 ZINC001603407039 1096522302 /nfs/dbraw/zinc/52/23/02/1096522302.db2.gz KORVZXVOWIEVSI-JTQLQIEISA-N -1 1 335.437 2.908 20 30 EFEDMM C[C@H]1C[C@@H](CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC(C)(C)C1 ZINC001603851053 1096645353 /nfs/dbraw/zinc/64/53/53/1096645353.db2.gz QLTMMUQCBSXTGQ-NWDGAFQWSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@H]1C[C@@H](CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC(C)(C)C1 ZINC001603851053 1096645356 /nfs/dbraw/zinc/64/53/56/1096645356.db2.gz QLTMMUQCBSXTGQ-NWDGAFQWSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@H]1C[C@H](CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001603850971 1096645777 /nfs/dbraw/zinc/64/57/77/1096645777.db2.gz OSSQMPNPSSSJBD-RYUDHWBXSA-N -1 1 340.435 2.793 20 30 EFEDMM CCCCCCCS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC001604176334 1096761471 /nfs/dbraw/zinc/76/14/71/1096761471.db2.gz NPSBHCVZTICIDF-UHFFFAOYSA-N -1 1 342.396 2.685 20 30 EFEDMM CCCCCCCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC001604176334 1096761477 /nfs/dbraw/zinc/76/14/77/1096761477.db2.gz NPSBHCVZTICIDF-UHFFFAOYSA-N -1 1 342.396 2.685 20 30 EFEDMM C[C@H](CNc1ccc(C(=O)[O-])nc1C#N)N1CCc2sccc2C1 ZINC001604189514 1096766735 /nfs/dbraw/zinc/76/67/35/1096766735.db2.gz BERYALKUELRPOC-LLVKDONJSA-N -1 1 342.424 2.572 20 30 EFEDMM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1F)C1CCCC1 ZINC000585129150 1096902030 /nfs/dbraw/zinc/90/20/30/1096902030.db2.gz ZEANYYVZOUNQSS-OAHLLOKOSA-N -1 1 326.393 2.644 20 30 EFEDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001604636010 1096918827 /nfs/dbraw/zinc/91/88/27/1096918827.db2.gz JOINVPNKFDNUPR-KGLIPLIRSA-N -1 1 339.395 2.533 20 30 EFEDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001604638952 1096920522 /nfs/dbraw/zinc/92/05/22/1096920522.db2.gz ZCTKVXFCGLDLOR-XKJAGQOOSA-N -1 1 342.439 2.662 20 30 EFEDMM CO[C@@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC001605027784 1097004913 /nfs/dbraw/zinc/00/49/13/1097004913.db2.gz CHBKYUBPUKTLJY-LLVKDONJSA-N -1 1 333.396 2.725 20 30 EFEDMM CCO[C@H]1C[C@@](NCC#Cc2ccc(Cl)cc2)(C(=O)[O-])C1(C)C ZINC001605605755 1097169184 /nfs/dbraw/zinc/16/91/84/1097169184.db2.gz HIKXSTKAROCZLD-MAUKXSAKSA-N -1 1 335.831 2.940 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC001606019970 1097299389 /nfs/dbraw/zinc/29/93/89/1097299389.db2.gz PHYVIFGGSYZRER-IUCAKERBSA-N -1 1 343.313 2.930 20 30 EFEDMM CN(CCOCc1ccc(C#N)cc1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001606134975 1097325886 /nfs/dbraw/zinc/32/58/86/1097325886.db2.gz MBBRNJLNNJMCEK-CMDGGOBGSA-N -1 1 340.379 2.898 20 30 EFEDMM CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606147254 1097328482 /nfs/dbraw/zinc/32/84/82/1097328482.db2.gz FCMBOPNYXHRBKE-INIZCTEOSA-N -1 1 326.400 2.837 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C#N)cc1Cl ZINC001606169077 1097334882 /nfs/dbraw/zinc/33/48/82/1097334882.db2.gz LNGJPESDHWLJQL-UHFFFAOYSA-N -1 1 328.719 2.546 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C#N)cc1Cl ZINC001606169077 1097334884 /nfs/dbraw/zinc/33/48/84/1097334884.db2.gz LNGJPESDHWLJQL-UHFFFAOYSA-N -1 1 328.719 2.546 20 30 EFEDMM N#CCc1cccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1F ZINC001167936238 1097351964 /nfs/dbraw/zinc/35/19/64/1097351964.db2.gz JKXKNKDCWZQIBT-UHFFFAOYSA-N -1 1 346.298 2.976 20 30 EFEDMM N#Cc1c(-c2nn[n-]n2)ncn1CCCCc1cccc(Cl)c1 ZINC001606356537 1097392410 /nfs/dbraw/zinc/39/24/10/1097392410.db2.gz WZAFNKCQWMQFCT-UHFFFAOYSA-N -1 1 327.779 2.611 20 30 EFEDMM N#Cc1cc2ccccc2cc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001606363884 1097393899 /nfs/dbraw/zinc/39/38/99/1097393899.db2.gz TWFOSTOTQIQZNF-UHFFFAOYSA-N -1 1 330.307 2.737 20 30 EFEDMM N#Cc1cc2ccccc2cc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001606363884 1097393903 /nfs/dbraw/zinc/39/39/03/1097393903.db2.gz TWFOSTOTQIQZNF-UHFFFAOYSA-N -1 1 330.307 2.737 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)c1cccnc1 ZINC001606482198 1097405992 /nfs/dbraw/zinc/40/59/92/1097405992.db2.gz KIDBUICLWFAYGB-GQCTYLIASA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)c1cccnc1 ZINC001606482198 1097405998 /nfs/dbraw/zinc/40/59/98/1097405998.db2.gz KIDBUICLWFAYGB-GQCTYLIASA-N -1 1 329.722 2.950 20 30 EFEDMM Cc1ccc(C(=O)C=CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001607725423 1097710523 /nfs/dbraw/zinc/71/05/23/1097710523.db2.gz YXFOWMFJSPKWIP-KTKRTIGZSA-N -1 1 349.346 2.947 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2cccc(CCC(=O)[O-])c2)c1C#N ZINC001607862845 1097758241 /nfs/dbraw/zinc/75/82/41/1097758241.db2.gz CLEGSNXGOKFJLC-UHFFFAOYSA-N -1 1 344.392 2.685 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1C#N ZINC001607995432 1097799224 /nfs/dbraw/zinc/79/92/24/1097799224.db2.gz LUIHMRBNWHXIGK-CXAGYDPISA-N -1 1 338.411 2.738 20 30 EFEDMM N#CC(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)=C(O)C1(c2ccccc2)CC1 ZINC001608170626 1097849273 /nfs/dbraw/zinc/84/92/73/1097849273.db2.gz VBXHTMBKSRKPMB-IJEWVQPXSA-N -1 1 339.391 2.887 20 30 EFEDMM N#CCc1cccc2c1CCN(Cc1ccccc1OCC(=O)[O-])C2 ZINC001608189113 1097855353 /nfs/dbraw/zinc/85/53/53/1097855353.db2.gz CAEJIVIPLDSOEX-UHFFFAOYSA-N -1 1 336.391 2.774 20 30 EFEDMM N#Cc1ccc(C2(NCc3cc(C(=O)[O-])co3)CCOCC2)cc1 ZINC001608203834 1097861883 /nfs/dbraw/zinc/86/18/83/1097861883.db2.gz JJTDMDWCROMAMF-UHFFFAOYSA-N -1 1 326.352 2.645 20 30 EFEDMM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)Cc3cnc[nH]3)c2)c1 ZINC001608370033 1097905465 /nfs/dbraw/zinc/90/54/65/1097905465.db2.gz SLAXVBGNTWMVHS-UHFFFAOYSA-N -1 1 345.358 2.689 20 30 EFEDMM C#C[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1F ZINC001609020287 1098113475 /nfs/dbraw/zinc/11/34/75/1098113475.db2.gz XKGLRYPKCYSYLV-LBPRGKRZSA-N -1 1 343.753 2.544 20 30 EFEDMM C#C[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1F ZINC001609020287 1098113480 /nfs/dbraw/zinc/11/34/80/1098113480.db2.gz XKGLRYPKCYSYLV-LBPRGKRZSA-N -1 1 343.753 2.544 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(F)c2)o1 ZINC001609061118 1098125596 /nfs/dbraw/zinc/12/55/96/1098125596.db2.gz GBLUBRJAJOANST-UHFFFAOYSA-N -1 1 329.339 2.953 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)C2SC=CC2=O)o1 ZINC001609061114 1098125648 /nfs/dbraw/zinc/12/56/48/1098125648.db2.gz FVQXYUHZVFYHPM-UHFFFAOYSA-N -1 1 333.377 2.581 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC=CCc2ccco2)o1 ZINC001609081318 1098136035 /nfs/dbraw/zinc/13/60/35/1098136035.db2.gz IOXHIIGVBCQAOI-MMQVGAAWSA-N -1 1 327.348 2.856 20 30 EFEDMM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609153067 1098171498 /nfs/dbraw/zinc/17/14/98/1098171498.db2.gz LVUVRXYSHKULGD-BBEKVSQQSA-N -1 1 343.343 2.551 20 30 EFEDMM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609153067 1098171500 /nfs/dbraw/zinc/17/15/00/1098171500.db2.gz LVUVRXYSHKULGD-BBEKVSQQSA-N -1 1 343.343 2.551 20 30 EFEDMM CC[C@@H](C)[C@@H](CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)OC ZINC001609185516 1098187660 /nfs/dbraw/zinc/18/76/60/1098187660.db2.gz JCHTZZJDNIYUQI-NXEZZACHSA-N -1 1 335.412 2.611 20 30 EFEDMM CCOc1c(Cl)cccc1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001609242177 1098217229 /nfs/dbraw/zinc/21/72/29/1098217229.db2.gz TXXLLQFVPZAIEJ-UHFFFAOYSA-N -1 1 347.766 2.661 20 30 EFEDMM C=C[C@@H](NCc1cc(Br)ccc1Br)C(=O)[O-] ZINC001609272217 1098233833 /nfs/dbraw/zinc/23/38/33/1098233833.db2.gz KSNBLNHFJJOJFH-SNVBAGLBSA-N -1 1 349.022 2.940 20 30 EFEDMM C=C[C@H](NCc1cc(Br)ccc1Br)C(=O)[O-] ZINC001609272216 1098234057 /nfs/dbraw/zinc/23/40/57/1098234057.db2.gz KSNBLNHFJJOJFH-JTQLQIEISA-N -1 1 349.022 2.940 20 30 EFEDMM Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c(C)c1C#N ZINC001609411123 1098299335 /nfs/dbraw/zinc/29/93/35/1098299335.db2.gz PXRSTKVMZQOGRA-UHFFFAOYSA-N -1 1 339.380 2.944 20 30 EFEDMM Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c(C)c1C#N ZINC001609411123 1098299338 /nfs/dbraw/zinc/29/93/38/1098299338.db2.gz PXRSTKVMZQOGRA-UHFFFAOYSA-N -1 1 339.380 2.944 20 30 EFEDMM Cc1sccc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001609472133 1098343167 /nfs/dbraw/zinc/34/31/67/1098343167.db2.gz OYTZTDUFWMFLQT-UHFFFAOYSA-N -1 1 331.405 2.869 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cc(Cl)ccc2[O-])C1=O ZINC001269686174 1098359532 /nfs/dbraw/zinc/35/95/32/1098359532.db2.gz HXAQRPIDURYOAD-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609499483 1098363288 /nfs/dbraw/zinc/36/32/88/1098363288.db2.gz SESCZZUDUJHHOO-JTQLQIEISA-N -1 1 343.803 2.948 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609499483 1098363293 /nfs/dbraw/zinc/36/32/93/1098363293.db2.gz SESCZZUDUJHHOO-JTQLQIEISA-N -1 1 343.803 2.948 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609499484 1098363377 /nfs/dbraw/zinc/36/33/77/1098363377.db2.gz SESCZZUDUJHHOO-SNVBAGLBSA-N -1 1 343.803 2.948 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609499484 1098363382 /nfs/dbraw/zinc/36/33/82/1098363382.db2.gz SESCZZUDUJHHOO-SNVBAGLBSA-N -1 1 343.803 2.948 20 30 EFEDMM O=C1c2ccc(Cl)cc2CC1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609585930 1098393128 /nfs/dbraw/zinc/39/31/28/1098393128.db2.gz LIQKJRYWVZPNRU-VMPITWQZSA-N -1 1 329.772 2.799 20 30 EFEDMM O=C1c2ccc(Cl)cc2CC1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609585930 1098393131 /nfs/dbraw/zinc/39/31/31/1098393131.db2.gz LIQKJRYWVZPNRU-VMPITWQZSA-N -1 1 329.772 2.799 20 30 EFEDMM CC[C@](NCc1ccc(C#N)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609930573 1098497940 /nfs/dbraw/zinc/49/79/40/1098497940.db2.gz IDSUOPCFKFCKBF-GOSISDBHSA-N -1 1 339.351 2.946 20 30 EFEDMM CCc1oc(CN=Nc2ccc(OC)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001610080773 1098542936 /nfs/dbraw/zinc/54/29/36/1098542936.db2.gz ZJGSOBJKATWWKW-UHFFFAOYSA-N -1 1 333.300 2.903 20 30 EFEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)C[C@@]1(O)CCc2ccccc21 ZINC001610122657 1098553082 /nfs/dbraw/zinc/55/30/82/1098553082.db2.gz BWRBZMDYGYYAKK-FQEVSTJZSA-N -1 1 336.391 2.522 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1[O-] ZINC000785403031 1099663853 /nfs/dbraw/zinc/66/38/53/1099663853.db2.gz ASEKMFMKPXYPMG-LJQANCHMSA-N -1 1 336.391 2.850 20 30 EFEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cccc([O-])c3F)n2)c1 ZINC001630234724 1100287169 /nfs/dbraw/zinc/28/71/69/1100287169.db2.gz GINPWCRHUYTYLU-UHFFFAOYSA-N -1 1 336.326 2.723 20 30 EFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(F)c1 ZINC000783513474 1100686488 /nfs/dbraw/zinc/68/64/88/1100686488.db2.gz DJGBEHCVOASMIU-UHFFFAOYSA-N -1 1 331.372 2.679 20 30 EFEDMM CC#Cc1cncc(N(C(=S)[N-]C(=O)OC)c2ccccc2N)c1 ZINC001211063485 1101443661 /nfs/dbraw/zinc/44/36/61/1101443661.db2.gz RUPPDQQATMSGGS-UHFFFAOYSA-N -1 1 340.408 2.814 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(C)c2OC(F)F)c(=O)o1 ZINC000588394060 1101750014 /nfs/dbraw/zinc/75/00/14/1101750014.db2.gz VYIMXDPEKDJBOV-LMVHVUTASA-N -1 1 336.290 2.825 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cn1 ZINC001209615193 1101971290 /nfs/dbraw/zinc/97/12/90/1101971290.db2.gz AJGKYXAJHZBZOI-UHFFFAOYSA-N -1 1 343.195 2.643 20 30 EFEDMM C=C(C)CN1CCC2(CCN(C(=O)c3cc([O-])cc(F)c3)CC2)C1=O ZINC001271562018 1102119037 /nfs/dbraw/zinc/11/90/37/1102119037.db2.gz LCLKTHGYNXLDED-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2c([O-])cccc2Cl)C1=O ZINC001271647743 1102205169 /nfs/dbraw/zinc/20/51/69/1102205169.db2.gz OFEYYRJQYVHBCP-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM C=C(C)C(=O)OCCNc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001168076721 1102500909 /nfs/dbraw/zinc/50/09/09/1102500909.db2.gz NCXRARFBGFXBTB-NSHDSACASA-N -1 1 344.333 2.957 20 30 EFEDMM COC(=O)COc1ccccc1C(C)N=Nc1ccc(C(=O)[O-])cc1 ZINC000783769438 1104250068 /nfs/dbraw/zinc/25/00/68/1104250068.db2.gz FPJOSJBLDSUNEO-UHFFFAOYSA-N -1 1 342.351 2.773 20 30 EFEDMM N#Cc1cccc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001672127121 1105758530 /nfs/dbraw/zinc/75/85/30/1105758530.db2.gz WWPWQZDEXYBWQH-UHFFFAOYSA-N -1 1 333.351 2.771 20 30 EFEDMM COc1ccc(NC(=S)NN=C(C)c2ccc(F)cc2[O-])cn1 ZINC000729640353 1105785838 /nfs/dbraw/zinc/78/58/38/1105785838.db2.gz ZZGDOJVVFBXFKT-UHFFFAOYSA-N -1 1 334.376 2.646 20 30 EFEDMM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142520274 1106106932 /nfs/dbraw/zinc/10/69/32/1106106932.db2.gz FEOUSZZZUGDCLK-INIZCTEOSA-N -1 1 349.381 2.706 20 30 EFEDMM C=CCOc1ccc(CNCc2cnn(C)c2C(=O)[O-])cc1Cl ZINC000904070498 1107576906 /nfs/dbraw/zinc/57/69/06/1107576906.db2.gz VKRUJYPCNXAISH-UHFFFAOYSA-N -1 1 335.791 2.626 20 30 EFEDMM C=CCN1CC[C@@]2(CCCN(C(=O)c3cc(F)ccc3[O-])CC2)C1=O ZINC001272386466 1108148588 /nfs/dbraw/zinc/14/85/88/1108148588.db2.gz IMCLPRLULFJNEO-IBGZPJMESA-N -1 1 346.402 2.562 20 30 EFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc(F)ccc1[O-] ZINC001272388121 1108152297 /nfs/dbraw/zinc/15/22/97/1108152297.db2.gz IFBWRWTZQDUVTQ-IBGZPJMESA-N -1 1 346.402 2.705 20 30 EFEDMM C=CCN1CC[C@@]2(CCCN(C(=O)c3ccc([O-])c(F)c3)CC2)C1=O ZINC001272401731 1108186833 /nfs/dbraw/zinc/18/68/33/1108186833.db2.gz SZESLUKWJOQWCE-IBGZPJMESA-N -1 1 346.402 2.562 20 30 EFEDMM C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC001272401341 1108186866 /nfs/dbraw/zinc/18/68/66/1108186866.db2.gz MYOGTRCMSBIIAQ-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)c1 ZINC000176459888 1108630061 /nfs/dbraw/zinc/63/00/61/1108630061.db2.gz AUJAVPFSBPRIEA-ZDUSSCGKSA-N -1 1 325.349 2.590 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000785416307 1108682627 /nfs/dbraw/zinc/68/26/27/1108682627.db2.gz YYHQOCUDETXUIX-MRXNPFEDSA-N -1 1 335.363 2.875 20 30 EFEDMM CC(C)c1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914599226 1111282923 /nfs/dbraw/zinc/28/29/23/1111282923.db2.gz BUXVAUGKLGZBQW-UHFFFAOYSA-N -1 1 327.409 2.883 20 30 EFEDMM CC(C)Oc1ccccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599733 1111284103 /nfs/dbraw/zinc/28/41/03/1111284103.db2.gz IMMCVVMGKYVJPP-UHFFFAOYSA-N -1 1 343.408 2.546 20 30 EFEDMM O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc([O-])cc1 ZINC000920387647 1112339595 /nfs/dbraw/zinc/33/95/95/1112339595.db2.gz PICHNOASMWXPER-UTCJRWHESA-N -1 1 327.292 2.968 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cnn(-c2ccc(F)cc2)c1C ZINC000920987453 1112353603 /nfs/dbraw/zinc/35/36/03/1112353603.db2.gz VVBXALJMVBILPP-UHFFFAOYSA-N -1 1 340.362 2.960 20 30 EFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000055556111 214329834 /nfs/dbraw/zinc/32/98/34/214329834.db2.gz NMHZZSREPTYABE-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM CCCn1ccnc1CCCN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000192256116 240033672 /nfs/dbraw/zinc/03/36/72/240033672.db2.gz XWNDULICFCFRAQ-UHFFFAOYSA-N -1 1 326.400 2.575 20 30 EFEDMM C[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000194723243 240174547 /nfs/dbraw/zinc/17/45/47/240174547.db2.gz OCUSJDWEXDOWRD-CYBMUJFWSA-N -1 1 343.408 2.519 20 30 EFEDMM C=C(C)CN(CC)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000299222449 241168934 /nfs/dbraw/zinc/16/89/34/241168934.db2.gz OETQHUXLBLGRAW-UHFFFAOYSA-N -1 1 326.400 2.520 20 30 EFEDMM O=C([N-]c1nnc(C(F)F)s1)c1coc(C2CCOCC2)n1 ZINC000328785083 241240261 /nfs/dbraw/zinc/24/02/61/241240261.db2.gz IPDARLPCTCKXNL-UHFFFAOYSA-N -1 1 330.316 2.994 20 30 EFEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000351167008 241901180 /nfs/dbraw/zinc/90/11/80/241901180.db2.gz MDOKZYHAESXWGN-LBPRGKRZSA-N -1 1 336.841 2.793 20 30 EFEDMM N#CC(=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccncn1 ZINC000354468367 242000063 /nfs/dbraw/zinc/00/00/63/242000063.db2.gz LWUDJKLDOFZQLN-NSHDSACASA-N -1 1 336.229 2.894 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355859475 242050353 /nfs/dbraw/zinc/05/03/53/242050353.db2.gz BBQHUIRFIWDCCI-UHFFFAOYSA-N -1 1 329.381 2.512 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000360212586 242191090 /nfs/dbraw/zinc/19/10/90/242191090.db2.gz OYVRXTBZTOTELY-AWEZNQCLSA-N -1 1 337.426 2.766 20 30 EFEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000362587688 242260371 /nfs/dbraw/zinc/26/03/71/242260371.db2.gz MIKUBYOMGRDLQC-LBPRGKRZSA-N -1 1 348.399 2.931 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)cc1 ZINC000264357705 246397648 /nfs/dbraw/zinc/39/76/48/246397648.db2.gz UFVVIJQAVJSDQO-UHFFFAOYSA-N -1 1 342.424 2.744 20 30 EFEDMM N#CC[C@H](CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000425319880 247041743 /nfs/dbraw/zinc/04/17/43/247041743.db2.gz KHBPNMIZPVGRAH-OAHLLOKOSA-N -1 1 340.383 2.569 20 30 EFEDMM C=CCOc1ccccc1CNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000426356504 247265719 /nfs/dbraw/zinc/26/57/19/247265719.db2.gz KSHMUXKKFURSKD-UHFFFAOYSA-N -1 1 329.425 2.634 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1F ZINC000427145944 247321683 /nfs/dbraw/zinc/32/16/83/247321683.db2.gz ULKPLYVNIYSRCM-UHFFFAOYSA-N -1 1 342.355 2.684 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1c(F)cccc1Cl ZINC000428392888 247476025 /nfs/dbraw/zinc/47/60/25/247476025.db2.gz LLCLRTKWFFTVCZ-VIFPVBQESA-N -1 1 339.779 2.785 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C#N)c(OC)c2)[n-]c1=O ZINC000442323368 250078268 /nfs/dbraw/zinc/07/82/68/250078268.db2.gz LGGJGDOHJGODCQ-YRNVUSSQSA-N -1 1 339.351 2.800 20 30 EFEDMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442674365 250101260 /nfs/dbraw/zinc/10/12/60/250101260.db2.gz WEWHBDYOOJJIHF-XIKOKIGWSA-N -1 1 340.379 2.778 20 30 EFEDMM CCCOc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000442866717 250131196 /nfs/dbraw/zinc/13/11/96/250131196.db2.gz MILDLYJNLJRHNY-UHFFFAOYSA-N -1 1 340.379 2.991 20 30 EFEDMM N#Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1[O-] ZINC000443117917 250162365 /nfs/dbraw/zinc/16/23/65/250162365.db2.gz HLYKHNMLGTXRLM-UHFFFAOYSA-N -1 1 345.742 2.798 20 30 EFEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccc(Cl)cc1 ZINC000344514252 142031463 /nfs/dbraw/zinc/03/14/63/142031463.db2.gz MCNSNZAPGQLKAM-SNVBAGLBSA-N -1 1 340.788 2.550 20 30 EFEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1Cl ZINC000344543298 142037644 /nfs/dbraw/zinc/03/76/44/142037644.db2.gz PVTFEMMIHYZCGL-SNVBAGLBSA-N -1 1 340.788 2.550 20 30 EFEDMM Cc1sc(C[N-]S(=O)(=O)c2ccc(C#N)o2)nc1C(C)C ZINC000344558864 142040006 /nfs/dbraw/zinc/04/00/06/142040006.db2.gz OKUQWNMSODBFGY-UHFFFAOYSA-N -1 1 325.415 2.518 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCCCOC2CCCCC2)o1 ZINC000344564797 142041164 /nfs/dbraw/zinc/04/11/64/142041164.db2.gz ZUOSEEFSQBJXIT-UHFFFAOYSA-N -1 1 340.445 2.949 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000344767813 142075363 /nfs/dbraw/zinc/07/53/63/142075363.db2.gz INTQJPJKIZWRQY-LSDHHAIUSA-N -1 1 330.409 2.841 20 30 EFEDMM CC(C)CCO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344812975 142082822 /nfs/dbraw/zinc/08/28/22/142082822.db2.gz OWHUBSYAKVZKER-CABCVRRESA-N -1 1 340.445 2.803 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)o1 ZINC000349808827 142362136 /nfs/dbraw/zinc/36/21/36/142362136.db2.gz HQKAQXUNIVUQPL-SECBINFHSA-N -1 1 328.802 2.832 20 30 EFEDMM CCC[C@@H](NC(=O)c1sc2ccc(C#N)cc2c1C)c1nn[n-]n1 ZINC000342347970 145106229 /nfs/dbraw/zinc/10/62/29/145106229.db2.gz RSQOOQMEKKXRBO-GFCCVEGCSA-N -1 1 340.412 2.866 20 30 EFEDMM CCc1cccc2c(CC[N-]S(=O)(=O)c3ccc(C#N)o3)c[nH]c21 ZINC000344185181 145386928 /nfs/dbraw/zinc/38/69/28/145386928.db2.gz CJKPIHKCMYYHTG-UHFFFAOYSA-N -1 1 343.408 2.716 20 30 EFEDMM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1C ZINC000344188653 145387558 /nfs/dbraw/zinc/38/75/58/145387558.db2.gz KMVUXNBFBPWJBA-CYBMUJFWSA-N -1 1 334.397 2.596 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc3ccccc3c2)o1 ZINC000344212679 145394288 /nfs/dbraw/zinc/39/42/88/145394288.db2.gz GFPPGLAQIYXXQL-UHFFFAOYSA-N -1 1 342.376 2.662 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)o1 ZINC000344234419 145399265 /nfs/dbraw/zinc/39/92/65/145399265.db2.gz PLFQGUNAMKYRPV-UHFFFAOYSA-N -1 1 326.377 2.825 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000345680507 145595129 /nfs/dbraw/zinc/59/51/29/145595129.db2.gz GTOHTAUAOUYKSB-UHFFFAOYSA-N -1 1 343.408 2.821 20 30 EFEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc12 ZINC000359566668 148125050 /nfs/dbraw/zinc/12/50/50/148125050.db2.gz YYQJRMPSGDOLSO-UHFFFAOYSA-N -1 1 340.408 2.863 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(F)F ZINC000451071045 269880236 /nfs/dbraw/zinc/88/02/36/269880236.db2.gz KBMNBTLVBIPJOA-ZETCQYMHSA-N -1 1 342.289 2.899 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1[O-] ZINC000188573319 265138952 /nfs/dbraw/zinc/13/89/52/265138952.db2.gz JOZJCOBGIVGLSF-INIZCTEOSA-N -1 1 336.391 2.943 20 30 EFEDMM N#Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1[O-] ZINC000188743967 265153090 /nfs/dbraw/zinc/15/30/90/265153090.db2.gz FIQFGJARORGCQC-UHFFFAOYSA-N -1 1 337.335 2.977 20 30 EFEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000191784526 265277324 /nfs/dbraw/zinc/27/73/24/265277324.db2.gz HLLQBWFCGSLFSA-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1F ZINC000157765231 268014923 /nfs/dbraw/zinc/01/49/23/268014923.db2.gz AMIJUYYZQYJPPX-UHFFFAOYSA-N -1 1 330.262 2.915 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)o1 ZINC000288552641 268207428 /nfs/dbraw/zinc/20/74/28/268207428.db2.gz JBIBRGAYAOXQCE-UHFFFAOYSA-N -1 1 345.424 2.938 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cn1 ZINC000523501450 268258480 /nfs/dbraw/zinc/25/84/80/268258480.db2.gz WUBGNWRUIMHOIU-ZDUSSCGKSA-N -1 1 341.314 2.535 20 30 EFEDMM N#Cc1ccnc(N2CCN(Cc3cccc([O-])c3Cl)CC2)c1 ZINC000294978820 268293133 /nfs/dbraw/zinc/29/31/33/268293133.db2.gz SCQRCCMNKWKHME-UHFFFAOYSA-N -1 1 328.803 2.634 20 30 EFEDMM CCc1cnc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000122965310 292972536 /nfs/dbraw/zinc/97/25/36/292972536.db2.gz JYWRUWAQARTLQK-UHFFFAOYSA-N -1 1 341.845 2.709 20 30 EFEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000154626675 293433173 /nfs/dbraw/zinc/43/31/73/293433173.db2.gz GTJBSVUODKLZGK-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC000135943716 310660422 /nfs/dbraw/zinc/66/04/22/310660422.db2.gz PYKZVODGDIPFBX-UHFFFAOYSA-N -1 1 340.364 2.718 20 30 EFEDMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000137238973 310668074 /nfs/dbraw/zinc/66/80/74/310668074.db2.gz HFUSZQKYSVPBFB-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000171268120 310745373 /nfs/dbraw/zinc/74/53/73/310745373.db2.gz YGAYUIXIYZUKSI-UHFFFAOYSA-N -1 1 341.392 2.634 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c(C#N)c2)[n-]c1=O ZINC000347446115 311739240 /nfs/dbraw/zinc/73/92/40/311739240.db2.gz OWNHMSPRPJIEKZ-XFFZJAGNSA-N -1 1 339.351 2.800 20 30 EFEDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000554580991 318326242 /nfs/dbraw/zinc/32/62/42/318326242.db2.gz MXKGGIGROJFWHJ-UHFFFAOYSA-N -1 1 330.727 2.956 20 30 EFEDMM CC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000572043889 319631566 /nfs/dbraw/zinc/63/15/66/319631566.db2.gz QKRDJDAEJHOAIG-UHFFFAOYSA-N -1 1 347.209 2.681 20 30 EFEDMM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000161111264 473208253 /nfs/dbraw/zinc/20/82/53/473208253.db2.gz VKHMXYWTVHWHCA-UHFFFAOYSA-N -1 1 348.399 2.932 20 30 EFEDMM N#Cc1cc(F)ccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000095698782 473223206 /nfs/dbraw/zinc/22/32/06/473223206.db2.gz NOJLIDVWTCFKJF-UHFFFAOYSA-N -1 1 329.297 2.592 20 30 EFEDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)[nH]n1 ZINC000184867734 473258762 /nfs/dbraw/zinc/25/87/62/473258762.db2.gz YPYYTKYBVCEGRR-NSHDSACASA-N -1 1 348.428 2.994 20 30 EFEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@@H](C)C#N)c1 ZINC000148240780 473315528 /nfs/dbraw/zinc/31/55/28/473315528.db2.gz UTKVPEWYQXMPGD-ZDUSSCGKSA-N -1 1 343.456 2.924 20 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/nfs/dbraw/zinc/63/49/27/471634927.db2.gz IEWCGTIKIDBYFO-LCYFTJDESA-N -1 1 340.433 2.953 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000014097671 471852265 /nfs/dbraw/zinc/85/22/65/471852265.db2.gz RQKUJERARDPECP-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM Cc1ccc(OCc2nc(C=C([O-])NC3=NCCS3)cs2)cc1 ZINC000018230767 471973237 /nfs/dbraw/zinc/97/32/37/471973237.db2.gz WCXGLUWKGVIOOY-UHFFFAOYSA-N -1 1 347.465 2.792 20 30 EFEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000041616493 472073572 /nfs/dbraw/zinc/07/35/72/472073572.db2.gz SPLRECOJVSGTJU-UHFFFAOYSA-N -1 1 341.392 2.634 20 30 EFEDMM C=CCCO[C@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2CC)CC1 ZINC000068452409 472194372 /nfs/dbraw/zinc/19/43/72/472194372.db2.gz HLQCPDXKQZYFAU-GFCCVEGCSA-N -1 1 338.477 2.648 20 30 EFEDMM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000027768079 472195891 /nfs/dbraw/zinc/19/58/91/472195891.db2.gz LCENYGORCVMLGI-UHFFFAOYSA-N -1 1 334.372 2.542 20 30 EFEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055600465 472211007 /nfs/dbraw/zinc/21/10/07/472211007.db2.gz FBCSRNRDERZWAR-UHFFFAOYSA-N -1 1 345.380 2.927 20 30 EFEDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055616762 472212217 /nfs/dbraw/zinc/21/22/17/472212217.db2.gz ISDHYBNRIKFSCI-UHFFFAOYSA-N -1 1 329.381 2.708 20 30 EFEDMM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccs1 ZINC000043751412 472259953 /nfs/dbraw/zinc/25/99/53/472259953.db2.gz CNJVCXVKXGNXAI-ZETCQYMHSA-N -1 1 347.322 2.741 20 30 EFEDMM CC(C)C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)N1CCCCC1=O ZINC000087167885 472312075 /nfs/dbraw/zinc/31/20/75/472312075.db2.gz ASEKUKZDTLYPLE-SECBINFHSA-N -1 1 347.341 2.839 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)c1 ZINC000069585752 472375279 /nfs/dbraw/zinc/37/52/79/472375279.db2.gz ZFMXAZQERKEWJG-UHFFFAOYSA-N -1 1 342.424 2.744 20 30 EFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000057124101 472383098 /nfs/dbraw/zinc/38/30/98/472383098.db2.gz UVYREPVWTIDTOW-UHFFFAOYSA-N -1 1 331.393 2.987 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1 ZINC000069893495 472458906 /nfs/dbraw/zinc/45/89/06/472458906.db2.gz FMHGEPSGUBRLLQ-UHFFFAOYSA-N -1 1 342.355 2.684 20 30 EFEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@H](C)C#N)cc1 ZINC000045851156 472474112 /nfs/dbraw/zinc/47/41/12/472474112.db2.gz HXPXCNCMRKCKFO-CYBMUJFWSA-N -1 1 343.456 2.924 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCCCC#N)c2)c(=O)o1 ZINC000100700654 472528090 /nfs/dbraw/zinc/52/80/90/472528090.db2.gz IMTBIWCETHGYGN-LKGOPFMKSA-N -1 1 339.347 2.597 20 30 EFEDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000102879642 472597758 /nfs/dbraw/zinc/59/77/58/472597758.db2.gz HWQSKOFDNPPRAO-UHFFFAOYSA-N -1 1 347.371 2.630 20 30 EFEDMM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1nnc2n1CCCCC2 ZINC000103330822 472627763 /nfs/dbraw/zinc/62/77/63/472627763.db2.gz WJJOEBSBOFOFAB-LBPRGKRZSA-N -1 1 342.424 2.629 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)o1 ZINC000103717081 472642916 /nfs/dbraw/zinc/64/29/16/472642916.db2.gz QVPDJIOJLLZGSY-YXMMZVCTSA-N -1 1 326.348 2.628 20 30 EFEDMM N#Cc1ccccc1N1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000613446171 480002140 /nfs/dbraw/zinc/00/21/40/480002140.db2.gz WVKVCROQGBQBGR-UHFFFAOYSA-N -1 1 339.370 2.755 20 30 EFEDMM O=C(C#Cc1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000120298740 472665211 /nfs/dbraw/zinc/66/52/11/472665211.db2.gz HOTMTCVQAUPVEQ-UHFFFAOYSA-N -1 1 333.387 2.865 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000156202468 472677440 /nfs/dbraw/zinc/67/74/40/472677440.db2.gz ZIXLZSJZGDHTNO-AWEZNQCLSA-N -1 1 325.393 2.834 20 30 EFEDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000091054409 472688508 /nfs/dbraw/zinc/68/85/08/472688508.db2.gz VLFPEXDAJMEPNA-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM CCN(C(=O)c1c[n-]c2c(cnn2C)c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000132607413 472744617 /nfs/dbraw/zinc/74/46/17/472744617.db2.gz ZXEBQHKFQCSKFN-GFCCVEGCSA-N -1 1 349.394 2.769 20 30 EFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000047871303 472774827 /nfs/dbraw/zinc/77/48/27/472774827.db2.gz XKLHCWBDYKYJNL-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000158267654 472916960 /nfs/dbraw/zinc/91/69/60/472916960.db2.gz YMORUKZUOLGDHX-INIZCTEOSA-N -1 1 344.392 2.527 20 30 EFEDMM CCn1c([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n[n-]c1=S ZINC000065587701 472983235 /nfs/dbraw/zinc/98/32/35/472983235.db2.gz UUNPRLIBAXATOP-AWEZNQCLSA-N -1 1 341.440 2.852 20 30 EFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(C)c1 ZINC000050533208 472998834 /nfs/dbraw/zinc/99/88/34/472998834.db2.gz GNYMTBVYRLHMDA-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000065836244 473017042 /nfs/dbraw/zinc/01/70/42/473017042.db2.gz DGSLIZLYCLLASJ-UHFFFAOYSA-N -1 1 343.408 2.767 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3C)n1 ZINC000080456015 473034055 /nfs/dbraw/zinc/03/40/55/473034055.db2.gz SXAJHPKMISUOFR-NSHDSACASA-N -1 1 340.408 2.937 20 30 EFEDMM N#Cc1ccc(CSCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000051266062 473036035 /nfs/dbraw/zinc/03/60/35/473036035.db2.gz CYDIPXGNKGUNIS-UHFFFAOYSA-N -1 1 341.318 2.567 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1C ZINC000108759663 473051881 /nfs/dbraw/zinc/05/18/81/473051881.db2.gz ABGHKHVRIWYJSJ-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM C=CCOc1ccccc1CNC(=O)Cn1c(CCC)n[n-]c1=S ZINC000111030344 473190510 /nfs/dbraw/zinc/19/05/10/473190510.db2.gz YQPHYUFGDNUCNV-UHFFFAOYSA-N -1 1 346.456 2.774 20 30 EFEDMM C#CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCc2ccccc21 ZINC000171564116 473411739 /nfs/dbraw/zinc/41/17/39/473411739.db2.gz GCONLASZCWSWKU-GOSISDBHSA-N -1 1 343.386 2.686 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2ccc(Br)cc2)cc1[O-] ZINC000190886720 473418479 /nfs/dbraw/zinc/41/84/79/473418479.db2.gz ZUINAMJUTICUJB-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1C ZINC000171701848 473442465 /nfs/dbraw/zinc/44/24/65/473442465.db2.gz MCOGIKQKNAACRP-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000185630252 473471663 /nfs/dbraw/zinc/47/16/63/473471663.db2.gz KBPROHYYRFSYGG-UHFFFAOYSA-N -1 1 348.428 2.679 20 30 EFEDMM C#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000191083237 473472993 /nfs/dbraw/zinc/47/29/93/473472993.db2.gz RNLCOMUJHIMBSK-UHFFFAOYSA-N -1 1 342.420 2.501 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O ZINC000185653702 473479847 /nfs/dbraw/zinc/47/98/47/473479847.db2.gz FCKPCCIETCVAJQ-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000114619615 473486939 /nfs/dbraw/zinc/48/69/39/473486939.db2.gz HLDDUEGQFOIJAD-CQSZACIVSA-N -1 1 348.387 2.794 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC3CC3)cc2)c(=O)o1 ZINC000191210127 473508304 /nfs/dbraw/zinc/50/83/04/473508304.db2.gz LBDHDELXCVYHGF-YOCVDRLZSA-N -1 1 326.348 2.704 20 30 EFEDMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000172123562 473529115 /nfs/dbraw/zinc/52/91/15/473529115.db2.gz HFSYQNRJRMUCEL-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000191466301 473542842 /nfs/dbraw/zinc/54/28/42/473542842.db2.gz VAMGVVKUJINZGX-CYBMUJFWSA-N -1 1 339.370 2.754 20 30 EFEDMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000178808854 473569126 /nfs/dbraw/zinc/56/91/26/473569126.db2.gz IPWOFFAAZVWVMV-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCCC2)o1 ZINC000287833000 473773098 /nfs/dbraw/zinc/77/30/98/473773098.db2.gz NRXWGXYAHHGNFT-UHFFFAOYSA-N -1 1 345.424 2.620 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@@H](C)O[N-]C(=O)CCCc1ccccc1 ZINC000269435870 473811124 /nfs/dbraw/zinc/81/11/24/473811124.db2.gz QZRGTXLCKPBJBR-MRXNPFEDSA-N -1 1 330.428 2.646 20 30 EFEDMM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000194689430 473940120 /nfs/dbraw/zinc/94/01/20/473940120.db2.gz IMULQZCLSTWWBN-UHFFFAOYSA-N -1 1 326.381 2.729 20 30 EFEDMM C=CCn1c(C)cc(C(=O)CSc2nc(CC)cc(=O)[n-]2)c1C ZINC000188084353 473977434 /nfs/dbraw/zinc/97/74/34/473977434.db2.gz DFOBCFACGWJNFD-UHFFFAOYSA-N -1 1 331.441 2.912 20 30 EFEDMM Cc1cc(/N=C/c2ccc(O)c([O-])c2O)ccc1N1CCOCC1 ZINC000180918915 473984916 /nfs/dbraw/zinc/98/49/16/473984916.db2.gz LSDFQDMTLSQSNP-YBFXNURJSA-N -1 1 328.368 2.699 20 30 EFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(CC#N)c1 ZINC000181089830 474004451 /nfs/dbraw/zinc/00/44/51/474004451.db2.gz FXVDPUVHIUDMSZ-UHFFFAOYSA-N -1 1 347.371 2.516 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2ccc(C#N)cc21 ZINC000270217695 474033158 /nfs/dbraw/zinc/03/31/58/474033158.db2.gz LETVCUYXVNSXQL-UHFFFAOYSA-N -1 1 336.395 2.863 20 30 EFEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1[O-] ZINC000188299619 474050704 /nfs/dbraw/zinc/05/07/04/474050704.db2.gz XYJAQEWPKAMIDD-UHFFFAOYSA-N -1 1 336.391 2.742 20 30 EFEDMM Cc1cn2c(nc(C)c2CN(C)C(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000188303204 474052426 /nfs/dbraw/zinc/05/24/26/474052426.db2.gz FUEHZKPYCZRUNA-UHFFFAOYSA-N -1 1 340.408 2.862 20 30 EFEDMM N#CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCSCC1 ZINC000182076187 474093840 /nfs/dbraw/zinc/09/38/40/474093840.db2.gz CSXUGXSYYIOCND-UHFFFAOYSA-N -1 1 330.331 2.930 20 30 EFEDMM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188457190 474101377 /nfs/dbraw/zinc/10/13/77/474101377.db2.gz KOOBHOVFJICASS-HNNXBMFYSA-N -1 1 335.407 2.610 20 30 EFEDMM N#Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1[O-] ZINC000189960723 474519363 /nfs/dbraw/zinc/51/93/63/474519363.db2.gz CZVMVAPMVWUXLM-UHFFFAOYSA-N -1 1 328.343 2.992 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N2CCCC(C)(C)[C@H]2C#N)c(=O)[n-]1 ZINC000278095527 474601255 /nfs/dbraw/zinc/60/12/55/474601255.db2.gz YWEPTGXXFNODDJ-CYBMUJFWSA-N -1 1 348.472 2.686 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000184768113 474603500 /nfs/dbraw/zinc/60/35/00/474603500.db2.gz NSRWUKFKWTYKRN-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM N#C[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C1CCCCC1 ZINC000278464836 474651731 /nfs/dbraw/zinc/65/17/31/474651731.db2.gz FWLFAQLYEBMCRH-OAHLLOKOSA-N -1 1 328.384 2.857 20 30 EFEDMM C#CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CC1 ZINC000291737611 474664035 /nfs/dbraw/zinc/66/40/35/474664035.db2.gz SLOSIUGKLUZDIS-UHFFFAOYSA-N -1 1 345.196 2.941 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1[O-] ZINC000337085301 474691340 /nfs/dbraw/zinc/69/13/40/474691340.db2.gz ZHDTXNTUXJWFID-ZDUSSCGKSA-N -1 1 334.734 2.520 20 30 EFEDMM CC(C)COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000344408269 474725862 /nfs/dbraw/zinc/72/58/62/474725862.db2.gz KQUQMQYHAAQSGF-UHFFFAOYSA-N -1 1 348.424 2.707 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)o1 ZINC000344413936 474732118 /nfs/dbraw/zinc/73/21/18/474732118.db2.gz WDYDNYFKHWPIIL-UHFFFAOYSA-N -1 1 328.349 2.890 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000278671990 474768142 /nfs/dbraw/zinc/76/81/42/474768142.db2.gz FXQAESLHNYSYFD-UHFFFAOYSA-N -1 1 344.241 2.527 20 30 EFEDMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000337252152 474826926 /nfs/dbraw/zinc/82/69/26/474826926.db2.gz KYRYXHMZLVXQGF-YYQUZTFQSA-N -1 1 328.412 2.666 20 30 EFEDMM CC#CCN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000341012805 474879773 /nfs/dbraw/zinc/87/97/73/474879773.db2.gz CEJGBJVKUVUBBC-UHFFFAOYSA-N -1 1 333.185 2.798 20 30 EFEDMM C=CCC(C)(C)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000292200322 474900692 /nfs/dbraw/zinc/90/06/92/474900692.db2.gz IKMQUYGWOIUKDI-UHFFFAOYSA-N -1 1 326.418 2.608 20 30 EFEDMM N#CCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000273481996 474922404 /nfs/dbraw/zinc/92/24/04/474922404.db2.gz GEYQAJQNSABCAB-UHFFFAOYSA-N -1 1 326.727 2.941 20 30 EFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000341079809 474951225 /nfs/dbraw/zinc/95/12/25/474951225.db2.gz HLQMBMSIDPFZED-QMTHXVAHSA-N -1 1 333.812 2.739 20 30 EFEDMM N#Cc1ccc(CN(C(=O)c2cc(F)cc3nn[nH]c32)C2CC2)cc1 ZINC000337380308 474957453 /nfs/dbraw/zinc/95/74/53/474957453.db2.gz BXYLPQVCAQVLHF-UHFFFAOYSA-N -1 1 335.342 2.773 20 30 EFEDMM C=CCN(CC1CCCCC1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287042223 475090505 /nfs/dbraw/zinc/09/05/05/475090505.db2.gz DFHXYCMAZZNXTN-PGMHBOJBSA-N -1 1 327.432 2.942 20 30 EFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@]1(C)CCO[C@H]1C ZINC000329752067 475126373 /nfs/dbraw/zinc/12/63/73/475126373.db2.gz JGNJMAILMWZWBZ-KPZWWZAWSA-N -1 1 342.399 2.619 20 30 EFEDMM COc1ccc(NC(=O)N[C@@H]2C=CCCC2)cc1[N-]S(C)(=O)=O ZINC000330991736 475300042 /nfs/dbraw/zinc/30/00/42/475300042.db2.gz TZCPTDFCXIXJJM-LLVKDONJSA-N -1 1 339.417 2.501 20 30 EFEDMM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(C)o1 ZINC000331042652 475304891 /nfs/dbraw/zinc/30/48/91/475304891.db2.gz DHUBBXSSSSAWIP-CQSZACIVSA-N -1 1 340.445 2.669 20 30 EFEDMM CC(C)c1nnc([C@@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)[nH]1 ZINC000331923541 475459012 /nfs/dbraw/zinc/45/90/12/475459012.db2.gz OQKYOVTWWKDUGJ-AWEZNQCLSA-N -1 1 339.399 2.873 20 30 EFEDMM C[C@H](C#N)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000345820528 475481746 /nfs/dbraw/zinc/48/17/46/475481746.db2.gz UEKZFVADXOTDED-GFCCVEGCSA-N -1 1 329.381 2.586 20 30 EFEDMM Cc1nc(S[C@H]2CCN(c3sccc3C#N)C2=O)[n-]c(=O)c1C ZINC000332080701 475503514 /nfs/dbraw/zinc/50/35/14/475503514.db2.gz KDWITVTUZDMKBB-NSHDSACASA-N -1 1 346.437 2.630 20 30 EFEDMM CN(C)c1cc(Br)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000345988251 475549421 /nfs/dbraw/zinc/54/94/21/475549421.db2.gz FYAXQMBLNZIOCM-CYBMUJFWSA-N -1 1 345.200 2.795 20 30 EFEDMM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000338174254 475649392 /nfs/dbraw/zinc/64/93/92/475649392.db2.gz DFOBDKYICZFOHV-UHFFFAOYSA-N -1 1 347.371 2.630 20 30 EFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CCC2)cc1Br ZINC000332495661 475651872 /nfs/dbraw/zinc/65/18/72/475651872.db2.gz UGQFOTDPWLJISN-UHFFFAOYSA-N -1 1 347.209 2.538 20 30 EFEDMM N#Cc1cccc(CCNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000340105935 475762351 /nfs/dbraw/zinc/76/23/51/475762351.db2.gz OOTNHCNJSGAZLV-UHFFFAOYSA-N -1 1 345.196 2.999 20 30 EFEDMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)[n-]c(=O)c1C ZINC000346718220 475795756 /nfs/dbraw/zinc/79/57/56/475795756.db2.gz UMRXERQCCBRELH-NSHDSACASA-N -1 1 328.397 2.790 20 30 EFEDMM N#Cc1ccc(NCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000358739312 475897449 /nfs/dbraw/zinc/89/74/49/475897449.db2.gz PRCUOOUXXJMYIR-UHFFFAOYSA-N -1 1 333.351 2.705 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1C#N ZINC000361995369 475923864 /nfs/dbraw/zinc/92/38/64/475923864.db2.gz FZPRCCVGNHKSCN-UHFFFAOYSA-N -1 1 334.328 2.505 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCO[C@H]2c2ccc(F)cc2)cc1[O-] ZINC000343353624 475977620 /nfs/dbraw/zinc/97/76/20/475977620.db2.gz ZSTUNKFQCFHACJ-QAPCUYQASA-N -1 1 340.354 2.911 20 30 EFEDMM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2nncs2)c1 ZINC000338628437 476064545 /nfs/dbraw/zinc/06/45/45/476064545.db2.gz 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476501448 /nfs/dbraw/zinc/50/14/48/476501448.db2.gz PJDZVAXCUGNOIA-UHFFFAOYSA-N -1 1 329.772 2.732 20 30 EFEDMM Cc1nnc2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cn12 ZINC000352122190 476524790 /nfs/dbraw/zinc/52/47/90/476524790.db2.gz AHNZEHCWKHMQHU-GFCCVEGCSA-N -1 1 345.284 2.942 20 30 EFEDMM C=C(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000352137036 476525681 /nfs/dbraw/zinc/52/56/81/476525681.db2.gz GNPNSIPSOCWOLT-UHFFFAOYSA-N -1 1 338.212 2.634 20 30 EFEDMM N#CC(=C([O-])c1coc(C(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000354365050 476612848 /nfs/dbraw/zinc/61/28/48/476612848.db2.gz HWAPGRLXLAYMMB-VIFPVBQESA-N -1 1 344.277 2.613 20 30 EFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000452031925 476782576 /nfs/dbraw/zinc/78/25/76/476782576.db2.gz UZUPNFBTHMACNO-SECBINFHSA-N -1 1 342.219 2.738 20 30 EFEDMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2s1 ZINC000430975168 476956320 /nfs/dbraw/zinc/95/63/20/476956320.db2.gz JPTRJONPMWBMSD-UHFFFAOYSA-N -1 1 345.405 2.977 20 30 EFEDMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000416544001 477210613 /nfs/dbraw/zinc/21/06/13/477210613.db2.gz DUMPZSSXATXCCV-HOCLYGCPSA-N -1 1 330.409 2.869 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)ccc1C#N ZINC000435720942 477358102 /nfs/dbraw/zinc/35/81/02/477358102.db2.gz GITAHZBYKKEBBU-UHFFFAOYSA-N -1 1 326.381 2.852 20 30 EFEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435757568 477365133 /nfs/dbraw/zinc/36/51/33/477365133.db2.gz BFKNJNVUXJZZIH-UHFFFAOYSA-N -1 1 346.408 2.693 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000416964468 477391411 /nfs/dbraw/zinc/39/14/11/477391411.db2.gz SMUVECJHHIAPOT-AWEZNQCLSA-N -1 1 348.428 2.828 20 30 EFEDMM CCc1cc(=O)[n-]c(SCc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000436195550 477439037 /nfs/dbraw/zinc/43/90/37/477439037.db2.gz FPOZGQGJSUIBKN-UHFFFAOYSA-N -1 1 339.380 2.959 20 30 EFEDMM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000417611558 477459613 /nfs/dbraw/zinc/45/96/13/477459613.db2.gz PHYQKWUBECZCTI-LLVKDONJSA-N -1 1 338.770 2.569 20 30 EFEDMM C=C[C@H](CCC(=O)[O-])NCc1cc(OC)ccc1Br ZINC000417627047 477459693 /nfs/dbraw/zinc/45/96/93/477459693.db2.gz PDTCCSFLJLSERQ-LLVKDONJSA-N -1 1 328.206 2.967 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1[O-] ZINC000437368572 477700255 /nfs/dbraw/zinc/70/02/55/477700255.db2.gz BFMNQKIKBOVRPP-SMDDNHRTSA-N -1 1 332.281 2.967 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000437478524 477709400 /nfs/dbraw/zinc/70/94/00/477709400.db2.gz VQTLXBNAGXEIAN-YGRLFVJLSA-N -1 1 340.217 2.866 20 30 EFEDMM C=C[C@@H]1CCCCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000428042946 477811415 /nfs/dbraw/zinc/81/14/15/477811415.db2.gz NNJYXGVZQINKGQ-CQSZACIVSA-N -1 1 328.416 2.551 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000439256335 477949853 /nfs/dbraw/zinc/94/98/53/477949853.db2.gz YQFFDLKFJCBPLL-UHFFFAOYSA-N -1 1 331.397 2.718 20 30 EFEDMM C=CC[C@@H](CC)NC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000439500505 477990674 /nfs/dbraw/zinc/99/06/74/477990674.db2.gz BMVUKCZTJGZZDT-LLVKDONJSA-N -1 1 341.433 2.543 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451491488 478048326 /nfs/dbraw/zinc/04/83/26/478048326.db2.gz FHIVSEXNVNFROX-BZNIZROVSA-N -1 1 339.388 2.831 20 30 EFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(F)cc([N+](=O)[O-])c3)nc1-2 ZINC000429566883 478156151 /nfs/dbraw/zinc/15/61/51/478156151.db2.gz KULPXUYVQLOGLE-GFCCVEGCSA-N -1 1 339.286 2.804 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCN(c3cccc(F)c3F)CC2)cc1[O-] ZINC000489208902 478224297 /nfs/dbraw/zinc/22/42/97/478224297.db2.gz RXINWTDXZKECHO-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1[O-] ZINC000590776612 478333384 /nfs/dbraw/zinc/33/33/84/478333384.db2.gz YENVOSTYLNNKDR-CVEARBPZSA-N -1 1 326.396 2.685 20 30 EFEDMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600352988 478347275 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N#Cc1ccc(C(=O)N[C@@H](c2cccs2)C2(CO)CCC2)cc1[O-] ZINC000597854562 478542996 /nfs/dbraw/zinc/54/29/96/478542996.db2.gz ZVGFTWTZJSZYJH-INIZCTEOSA-N -1 1 342.420 2.959 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000496300797 478645664 /nfs/dbraw/zinc/64/56/64/478645664.db2.gz DMMJBVRZCFOTTI-CQSZACIVSA-N -1 1 339.417 2.935 20 30 EFEDMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000496679766 478683198 /nfs/dbraw/zinc/68/31/98/478683198.db2.gz UENYNBNNQYJFAD-NEPJUHHUSA-N -1 1 347.415 2.685 20 30 EFEDMM CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000496692811 478684053 /nfs/dbraw/zinc/68/40/53/478684053.db2.gz RVYCVLWMEJUKPG-UHFFFAOYSA-N -1 1 347.415 2.687 20 30 EFEDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000496782320 478693707 /nfs/dbraw/zinc/69/37/07/478693707.db2.gz UZRNQQLWQPYDRX-UHFFFAOYSA-N -1 1 349.343 2.676 20 30 EFEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000491878104 478720606 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C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599271926 479229749 /nfs/dbraw/zinc/22/97/49/479229749.db2.gz KLFOQVJOSPCDOA-JTQLQIEISA-N -1 1 347.383 2.775 20 30 EFEDMM Cc1[nH]nc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1[O-] ZINC000610989488 479253333 /nfs/dbraw/zinc/25/33/33/479253333.db2.gz OXZGXDKDJVAQAW-VIFPVBQESA-N -1 1 325.155 2.725 20 30 EFEDMM N#CCC1(CS(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000599417418 479290606 /nfs/dbraw/zinc/29/06/06/479290606.db2.gz LGAFXWOUYLKHQB-AWEZNQCLSA-N -1 1 342.411 2.866 20 30 EFEDMM CCCc1nc(=NC2CCN(Cc3cccc(C#N)c3)CC2)s[n-]1 ZINC000593518339 479374376 /nfs/dbraw/zinc/37/43/76/479374376.db2.gz ZGXPJWHNPHPXLS-UHFFFAOYSA-N -1 1 341.484 2.861 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nnsc2Cl)c1 ZINC000603418402 479378874 /nfs/dbraw/zinc/37/88/74/479378874.db2.gz RAWAPZYSSHROTA-SNVBAGLBSA-N -1 1 342.833 2.902 20 30 EFEDMM COCC1(S(=O)(=O)[N-]c2ccccc2SCCC#N)CC1 ZINC000603419587 479380446 /nfs/dbraw/zinc/38/04/46/479380446.db2.gz UILIVMBGGYLZBQ-UHFFFAOYSA-N -1 1 326.443 2.613 20 30 EFEDMM COc1cc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cc(OC)c1 ZINC000589168055 479491004 /nfs/dbraw/zinc/49/10/04/479491004.db2.gz VFTWRXPGWVQVCA-UHFFFAOYSA-N -1 1 326.352 2.553 20 30 EFEDMM COC(=O)CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589180353 479492930 /nfs/dbraw/zinc/49/29/30/479492930.db2.gz ZDLMGTQXGKRGFZ-KRWDZBQOSA-N -1 1 338.363 2.688 20 30 EFEDMM Cc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1[N+](=O)[O-] ZINC000589188070 479493669 /nfs/dbraw/zinc/49/36/69/479493669.db2.gz NJWPQVVEXSRSGH-NSHDSACASA-N -1 1 325.324 2.972 20 30 EFEDMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188966 479494104 /nfs/dbraw/zinc/49/41/04/479494104.db2.gz XFGDFYQISMCVBP-YYUOZPCZSA-N -1 1 342.420 2.834 20 30 EFEDMM CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589190348 479494284 /nfs/dbraw/zinc/49/42/84/479494284.db2.gz OGZCQONIQLNNGE-SNVBAGLBSA-N -1 1 346.412 2.733 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc(Cc2ccccc2)no1 ZINC000589188122 479494848 /nfs/dbraw/zinc/49/48/48/479494848.db2.gz WIYWPAHRCZEPTQ-LBPRGKRZSA-N -1 1 348.362 2.729 20 30 EFEDMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589190335 479494960 /nfs/dbraw/zinc/49/49/60/479494960.db2.gz OGZCQONIQLNNGE-JTQLQIEISA-N -1 1 346.412 2.733 20 30 EFEDMM Cc1nnc(-c2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)n1C ZINC000589192514 479495001 /nfs/dbraw/zinc/49/50/01/479495001.db2.gz GVOCOICWVYWETE-UHFFFAOYSA-N -1 1 333.351 2.620 20 30 EFEDMM CCOC(=O)CC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000589194385 479495010 /nfs/dbraw/zinc/49/50/10/479495010.db2.gz HBGSYRKHKUIELZ-UHFFFAOYSA-N -1 1 344.411 2.897 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000589197178 479495482 /nfs/dbraw/zinc/49/54/82/479495482.db2.gz ZMVAQKBPWHJUQM-HNNXBMFYSA-N -1 1 341.798 2.926 20 30 EFEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000589196099 479495773 /nfs/dbraw/zinc/49/57/73/479495773.db2.gz CUMDPKGTVCLMPG-GFCCVEGCSA-N -1 1 348.362 2.847 20 30 EFEDMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197206 479495894 /nfs/dbraw/zinc/49/58/94/479495894.db2.gz GUHNFTPQIOUJLJ-GTNSWQLSSA-N -1 1 328.343 2.909 20 30 EFEDMM Cn1cc(CNC(=O)c2cc([O-])cc(C#N)c2)c(-c2ccccc2)n1 ZINC000589199955 479498594 /nfs/dbraw/zinc/49/85/94/479498594.db2.gz VNKOGIQJDDLFIU-UHFFFAOYSA-N -1 1 332.363 2.594 20 30 EFEDMM Cn1c(CNC(=O)c2cc([O-])cc(C#N)c2)nc2cc(Cl)ccc21 ZINC000589208133 479499952 /nfs/dbraw/zinc/49/99/52/479499952.db2.gz SVTLFPIHLHEYRI-UHFFFAOYSA-N -1 1 340.770 2.734 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)c1 ZINC000589207930 479501117 /nfs/dbraw/zinc/50/11/17/479501117.db2.gz AUVZNTNTOCMHBT-QGZVFWFLSA-N -1 1 344.317 2.756 20 30 EFEDMM CC[C@@]1(CNC(=O)c2cc([O-])cc(C#N)c2)OCCc2ccccc21 ZINC000589537880 479538014 /nfs/dbraw/zinc/53/80/14/479538014.db2.gz ZLOCVAYEJRPIHO-FQEVSTJZSA-N -1 1 336.391 2.872 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1 ZINC000589587310 479542367 /nfs/dbraw/zinc/54/23/67/479542367.db2.gz ZRALVGSSCWCZHQ-UHFFFAOYSA-N -1 1 340.364 2.603 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000590458731 479649988 /nfs/dbraw/zinc/64/99/88/479649988.db2.gz ZKPWRCZZOJUMSO-MGPLVRAMSA-N -1 1 328.393 2.758 20 30 EFEDMM COc1ccc2[nH]cc(CCNC(=O)c3ccc(C#N)c([O-])c3)c2c1 ZINC000615428147 479672627 /nfs/dbraw/zinc/67/26/27/479672627.db2.gz BSHBENAJEVOVMR-UHFFFAOYSA-N -1 1 335.363 2.726 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccccc2OC(F)F)c1 ZINC000616021725 479809564 /nfs/dbraw/zinc/80/95/64/479809564.db2.gz DXDHZLVNOVGTGD-UHFFFAOYSA-N -1 1 332.306 2.838 20 30 EFEDMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000619618559 479842681 /nfs/dbraw/zinc/84/26/81/479842681.db2.gz CLTSAICBOLCOAU-IUHNQTRMSA-N -1 1 328.412 2.666 20 30 EFEDMM CCCC(=O)Nc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296665 480257587 /nfs/dbraw/zinc/25/75/87/480257587.db2.gz LHMRQNCBICNJRB-UHFFFAOYSA-N -1 1 337.379 2.932 20 30 EFEDMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298411 480257864 /nfs/dbraw/zinc/25/78/64/480257864.db2.gz MLNHGQDTMFQHKI-UHFFFAOYSA-N -1 1 349.350 2.745 20 30 EFEDMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298480 480258059 /nfs/dbraw/zinc/25/80/59/480258059.db2.gz YEMRZFYGIODUND-JTQLQIEISA-N -1 1 332.306 2.739 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000614297789 480258113 /nfs/dbraw/zinc/25/81/13/480258113.db2.gz DMWUWWVQJPSUGP-INIZCTEOSA-N -1 1 339.370 2.802 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccnn2CCc2ccccc2)c1 ZINC000614298519 480258161 /nfs/dbraw/zinc/25/81/61/480258161.db2.gz RHHOARNJVIWAFE-UHFFFAOYSA-N -1 1 332.363 2.955 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(Br)c2)c1 ZINC000614364894 480283609 /nfs/dbraw/zinc/28/36/09/480283609.db2.gz CQUUTYPAFKVGAA-UHFFFAOYSA-N -1 1 331.169 2.956 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)c1 ZINC000614367116 480284406 /nfs/dbraw/zinc/28/44/06/480284406.db2.gz FCWGZLFUZKKWCB-UHFFFAOYSA-N -1 1 344.374 2.896 20 30 EFEDMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614371868 480286011 /nfs/dbraw/zinc/28/60/11/480286011.db2.gz PKYLQCWBJBSEBR-UHFFFAOYSA-N -1 1 332.363 2.926 20 30 EFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000614369993 480286186 /nfs/dbraw/zinc/28/61/86/480286186.db2.gz MPQAVDJKTRNLCT-GOSISDBHSA-N -1 1 349.390 2.531 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000614373871 480287131 /nfs/dbraw/zinc/28/71/31/480287131.db2.gz QMYYZQVFUZNAPN-HXUWFJFHSA-N -1 1 334.375 2.578 20 30 EFEDMM CC(C)(CO)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614374455 480287693 /nfs/dbraw/zinc/28/76/93/480287693.db2.gz LLCLNMCOCJYWHZ-GOSISDBHSA-N -1 1 338.407 2.796 20 30 EFEDMM C=CC[C@@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000617786332 480362168 /nfs/dbraw/zinc/36/21/68/480362168.db2.gz XKOXMPQGNMOCBS-OAHLLOKOSA-N -1 1 342.443 2.799 20 30 EFEDMM C=C[C@@H]1CCCCN1C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000626687436 480471399 /nfs/dbraw/zinc/47/13/99/480471399.db2.gz SOIKCBZCFPXSTG-GFCCVEGCSA-N -1 1 342.395 2.726 20 30 EFEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(C2CC2)cs1 ZINC000647372284 481787909 /nfs/dbraw/zinc/78/79/09/481787909.db2.gz JEFTYAGRLPMCDW-NSHDSACASA-N -1 1 339.376 2.841 20 30 EFEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076935581 521991557 /nfs/dbraw/zinc/99/15/57/521991557.db2.gz LCTWOJMZHQIIPF-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000352117081 534667729 /nfs/dbraw/zinc/66/77/29/534667729.db2.gz DHDHNLCZZKRMPG-ZETCQYMHSA-N -1 1 338.212 2.633 20 30 EFEDMM C=CCNC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000356453553 534864900 /nfs/dbraw/zinc/86/49/00/534864900.db2.gz ZTKCUVAIFPWWQY-UHFFFAOYSA-N -1 1 339.311 2.556 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(CNC(N)=O)cc2)n1 ZINC000080455403 528240800 /nfs/dbraw/zinc/24/08/00/528240800.db2.gz LRXZDAYGPCSNDH-CYBMUJFWSA-N -1 1 342.424 2.925 20 30 EFEDMM CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000425310505 535001452 /nfs/dbraw/zinc/00/14/52/535001452.db2.gz XHLVGMJXILWPDR-ZDUSSCGKSA-N -1 1 340.383 2.596 20 30 EFEDMM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000231728059 535129349 /nfs/dbraw/zinc/12/93/49/535129349.db2.gz FHZUBKCIJKOFFW-MRVPVSSYSA-N -1 1 325.192 2.959 20 30 EFEDMM CCOc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1OC ZINC000355851645 535685560 /nfs/dbraw/zinc/68/55/60/535685560.db2.gz ZDNKKWYYPSELFJ-UHFFFAOYSA-N -1 1 346.408 2.961 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(C)c1C ZINC000351761795 536568675 /nfs/dbraw/zinc/56/86/75/536568675.db2.gz KZXSKEZFWDTKJI-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(C)c1C ZINC000351762788 536569272 /nfs/dbraw/zinc/56/92/72/536569272.db2.gz NCIQQLGTEZUWLO-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)cc1C ZINC000349301665 536569286 /nfs/dbraw/zinc/56/92/86/536569286.db2.gz XYVRMUPRPRLRDY-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM C=C(C)Cn1c(C)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000670220388 547460303 /nfs/dbraw/zinc/46/03/03/547460303.db2.gz ZNTWRQZUOQMCKA-UHFFFAOYSA-N -1 1 340.427 2.968 20 30 EFEDMM Cc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c(C)n1C ZINC000754943833 575517403 /nfs/dbraw/zinc/51/74/03/575517403.db2.gz JRKQZCVTQIAROH-UHFFFAOYSA-N -1 1 341.419 2.688 20 30 EFEDMM CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1F ZINC000755601524 575606522 /nfs/dbraw/zinc/60/65/22/575606522.db2.gz PECYHZKABPKFFI-DJWKRKHSSA-N -1 1 338.331 2.970 20 30 EFEDMM C[C@@H](CC=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000755639193 575611733 /nfs/dbraw/zinc/61/17/33/575611733.db2.gz FXSMYYHFLVONAN-ZDUSSCGKSA-N -1 1 327.409 2.905 20 30 EFEDMM CCc1nc(CNCc2ccc(OC)c(C#N)c2)ccc1C(=O)[O-] ZINC000756312512 575715895 /nfs/dbraw/zinc/71/58/95/575715895.db2.gz QZOYNOAXEZDQIA-UHFFFAOYSA-N -1 1 325.368 2.512 20 30 EFEDMM C=C(C)[C@@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)OCC ZINC000756471582 575744501 /nfs/dbraw/zinc/74/45/01/575744501.db2.gz RSDNXZXQNMPQIM-OAHLLOKOSA-N -1 1 332.352 2.913 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1nccn1CC(F)(F)F ZINC000756899109 575798510 /nfs/dbraw/zinc/79/85/10/575798510.db2.gz QLASEPIQDYKDDA-UHFFFAOYSA-N -1 1 342.277 2.598 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1nc(-c2ccccc2)no1 ZINC000756901106 575798930 /nfs/dbraw/zinc/79/89/30/575798930.db2.gz KGYATFYBBUUHNB-UHFFFAOYSA-N -1 1 338.323 2.889 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccccc1NC(C)=O ZINC000756905790 575799706 /nfs/dbraw/zinc/79/97/06/575799706.db2.gz KNUKZUCTTHVFDO-UHFFFAOYSA-N -1 1 327.340 2.798 20 30 EFEDMM Cc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)ccc1-n1cncn1 ZINC000757475150 575840294 /nfs/dbraw/zinc/84/02/94/575840294.db2.gz YJKJREWHWQLUQB-UTCJRWHESA-N -1 1 349.346 2.876 20 30 EFEDMM COC(=O)[C@H](C)Oc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1 ZINC000758431264 575869617 /nfs/dbraw/zinc/86/96/17/575869617.db2.gz WBFKELIXCWICEG-PKSBALPTSA-N -1 1 340.331 2.949 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2nc3ccc(F)cc3s2)c(=O)o1 ZINC000761476142 576167923 /nfs/dbraw/zinc/16/79/23/576167923.db2.gz RKUKZJJAODILRU-MBVDDHJVSA-N -1 1 331.324 2.664 20 30 EFEDMM N#CCc1ccnc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000763253182 576369688 /nfs/dbraw/zinc/36/96/88/576369688.db2.gz VODPPGGTTYMBGG-UHFFFAOYSA-N -1 1 325.393 2.877 20 30 EFEDMM [O-]c1c(Br)cccc1C=NNCCOCC(F)(F)F ZINC000765594042 577057798 /nfs/dbraw/zinc/05/77/98/577057798.db2.gz OZXMAAYDEWKYLN-UHFFFAOYSA-N -1 1 341.127 2.657 20 30 EFEDMM [O-]c1ccc(C=NNCCOCC(F)(F)F)cc1Br ZINC000765600416 577058465 /nfs/dbraw/zinc/05/84/65/577058465.db2.gz BSGAFJFWPIKCQC-UHFFFAOYSA-N -1 1 341.127 2.657 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(Br)c2O)c1 ZINC000765770377 577074869 /nfs/dbraw/zinc/07/48/69/577074869.db2.gz POPSXTWHBIBVMZ-UHFFFAOYSA-N -1 1 347.168 2.662 20 30 EFEDMM C[C@@H]1CC(C)(C)CC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000766012981 577098450 /nfs/dbraw/zinc/09/84/50/577098450.db2.gz MKLRCCCRXJMSEL-LLVKDONJSA-N -1 1 339.417 2.826 20 30 EFEDMM CN(c1ccccc1)c1ccc(C=Nn2c(=O)cn[n-]c2=S)cc1 ZINC000766473277 577155478 /nfs/dbraw/zinc/15/54/78/577155478.db2.gz BEJYCQZMOKAYAW-UHFFFAOYSA-N -1 1 337.408 2.577 20 30 EFEDMM CCn1c2ccccc2c2cc(C=Nn3c(=O)cn[n-]c3=S)ccc21 ZINC000766474009 577155489 /nfs/dbraw/zinc/15/54/89/577155489.db2.gz IWPCNAOFZLOZIB-UHFFFAOYSA-N -1 1 349.419 2.937 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000766474144 577155575 /nfs/dbraw/zinc/15/55/75/577155575.db2.gz KBLBZLWZIQQLCY-UHFFFAOYSA-N -1 1 340.195 2.597 20 30 EFEDMM CCCCc1oc2ccccc2c1C=Nn1c(=O)cn[n-]c1=S ZINC000766482294 577157122 /nfs/dbraw/zinc/15/71/22/577157122.db2.gz ILLWNVHONNKUEJ-UHFFFAOYSA-N -1 1 328.397 2.898 20 30 EFEDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2C1 ZINC000766571489 577167765 /nfs/dbraw/zinc/16/77/65/577167765.db2.gz RJEVNTLTCLQRBP-QGZVFWFLSA-N -1 1 342.420 2.781 20 30 EFEDMM C[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000767379923 577206885 /nfs/dbraw/zinc/20/68/85/577206885.db2.gz NBIVNCDILRRLPZ-RYUDHWBXSA-N -1 1 339.417 2.826 20 30 EFEDMM CC1(C)CCCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000767779585 577233740 /nfs/dbraw/zinc/23/37/40/577233740.db2.gz OMGZKNRCTNBBPA-UHFFFAOYSA-N -1 1 339.417 2.970 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)N[C@@H]2CCCC[C@H]2C)c1 ZINC000726736089 577381820 /nfs/dbraw/zinc/38/18/20/577381820.db2.gz BSXAIBWSMCDUPC-BXUZGUMPSA-N -1 1 349.456 2.556 20 30 EFEDMM CC(C)Oc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769808454 577386897 /nfs/dbraw/zinc/38/68/97/577386897.db2.gz HTIQJDAEWLQHNF-UHFFFAOYSA-N -1 1 340.387 2.692 20 30 EFEDMM Cc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)c(C)n1CC(C)C ZINC000769819741 577387773 /nfs/dbraw/zinc/38/77/73/577387773.db2.gz WKJKUFXUDYLOEI-UHFFFAOYSA-N -1 1 341.419 2.589 20 30 EFEDMM CSc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769820093 577387855 /nfs/dbraw/zinc/38/78/55/577387855.db2.gz WVVMLRGITWXOHV-UHFFFAOYSA-N -1 1 328.401 2.627 20 30 EFEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000770376167 577413605 /nfs/dbraw/zinc/41/36/05/577413605.db2.gz AKROAPARXGRHNE-LURJTMIESA-N -1 1 342.667 2.854 20 30 EFEDMM C#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000727041552 577431255 /nfs/dbraw/zinc/43/12/55/577431255.db2.gz UNIRFQFQRLPLPG-UHFFFAOYSA-N -1 1 343.404 2.976 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)ccc1[N+](=O)[O-] ZINC000770572145 581111625 /nfs/dbraw/zinc/11/16/25/581111625.db2.gz MHMZNSOZPIJRRV-UTCJRWHESA-N -1 1 343.291 2.903 20 30 EFEDMM C[C@H](C#N)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000770933344 581153161 /nfs/dbraw/zinc/15/31/61/581153161.db2.gz QOGTYOJVPJSYFZ-CYBMUJFWSA-N -1 1 344.392 2.804 20 30 EFEDMM COc1c([O-])c(C=NNc2cccc([N+](=O)[O-])c2C)ccc1[N+](=O)[O-] ZINC000773055912 581391681 /nfs/dbraw/zinc/39/16/81/581391681.db2.gz SWGHUKSHXACOPT-UHFFFAOYSA-N -1 1 346.299 2.972 20 30 EFEDMM COc1c([O-])c(C=NNc2cc(Cl)nc(C)n2)ccc1[N+](=O)[O-] ZINC000773060440 581392295 /nfs/dbraw/zinc/39/22/95/581392295.db2.gz YFAYQDWDVPCGLM-UHFFFAOYSA-N -1 1 337.723 2.507 20 30 EFEDMM N#Cc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2F)cc1Cl ZINC000773565407 581446052 /nfs/dbraw/zinc/44/60/52/581446052.db2.gz HJBBLOSXTFTKLX-UHFFFAOYSA-N -1 1 348.717 2.852 20 30 EFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1 ZINC000774051568 581480600 /nfs/dbraw/zinc/48/06/00/581480600.db2.gz JKUCDYLBRDEFJI-NSHDSACASA-N -1 1 329.381 2.730 20 30 EFEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCC(=O)[O-] ZINC000817744410 597001735 /nfs/dbraw/zinc/00/17/35/597001735.db2.gz ZVZRYNIXJKPZTR-NSHDSACASA-N -1 1 349.456 2.622 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2ccc(C#N)cc2)n1 ZINC000737472278 599290523 /nfs/dbraw/zinc/29/05/23/599290523.db2.gz YMMNAVCYIADUQK-SNVBAGLBSA-N -1 1 337.412 2.999 20 30 EFEDMM Cc1ccc2nc([C@H]3CCCN3C(=O)[C@](C)(C#N)CC(=O)[O-])[nH]c2c1 ZINC000821103711 598225961 /nfs/dbraw/zinc/22/59/61/598225961.db2.gz MWMBDIVBOQAGAX-KDOFPFPSSA-N -1 1 340.383 2.539 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(O)c(F)c2)o1 ZINC000735451286 598641522 /nfs/dbraw/zinc/64/15/22/598641522.db2.gz XAOJIANGXRMYPI-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM C=C(Br)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819718477 599496981 /nfs/dbraw/zinc/49/69/81/599496981.db2.gz IXJJRWISAHOCQA-UHFFFAOYSA-N -1 1 331.177 2.735 20 30 EFEDMM C=C(Br)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819718477 599496982 /nfs/dbraw/zinc/49/69/82/599496982.db2.gz IXJJRWISAHOCQA-UHFFFAOYSA-N -1 1 331.177 2.735 20 30 EFEDMM N#Cc1cccc(OC2CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC000739133757 599794849 /nfs/dbraw/zinc/79/48/49/599794849.db2.gz NUUZYVMMLIKBLY-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM N#Cc1cccc(OC2CCN(Cc3ccoc3C(=O)[O-])CC2)c1 ZINC000739133141 599795104 /nfs/dbraw/zinc/79/51/04/599795104.db2.gz CYJLCNOHULRDJK-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM C[C@@H](CN(C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736570286 600507046 /nfs/dbraw/zinc/50/70/46/600507046.db2.gz CNQRPFNHWHDVBH-VZWMTCDZSA-N -1 1 330.428 2.520 20 30 EFEDMM C[C@@H](CN(C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736570274 600507113 /nfs/dbraw/zinc/50/71/13/600507113.db2.gz CNQRPFNHWHDVBH-NWRYFCBHSA-N -1 1 330.428 2.520 20 30 EFEDMM N#Cc1ccc([C@H](OC(=O)c2cc(-c3ccco3)n[nH]2)C(=O)[O-])cc1 ZINC000739115015 600610454 /nfs/dbraw/zinc/61/04/54/600610454.db2.gz MVKFZTTZDFLOBL-HNNXBMFYSA-N -1 1 337.291 2.524 20 30 EFEDMM CCCCN1C(=O)N=NC1S[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737009096 600936167 /nfs/dbraw/zinc/93/61/67/600936167.db2.gz NWEFLJILZZYNBU-GFCCVEGCSA-N -1 1 332.385 2.573 20 30 EFEDMM CN(Cc1ccc([S@](C)=O)cc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830841341 601323613 /nfs/dbraw/zinc/32/36/13/601323613.db2.gz ZZXOYVSNZZNPEX-XDHUDOTRSA-N -1 1 342.420 2.553 20 30 EFEDMM O=C([O-])CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000833248821 601423273 /nfs/dbraw/zinc/42/32/73/601423273.db2.gz PRLQHEKLCRJRFU-UHFFFAOYSA-N -1 1 341.329 2.623 20 30 EFEDMM Cc1oc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)cc1C(=O)[O-] ZINC000833027908 601492583 /nfs/dbraw/zinc/49/25/83/601492583.db2.gz ZWSZPKIPCZHAME-UHFFFAOYSA-N -1 1 340.744 2.612 20 30 EFEDMM CC(C)CN(Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824261251 607518514 /nfs/dbraw/zinc/51/85/14/607518514.db2.gz GKWVCPVHTPRNRE-UHFFFAOYSA-N -1 1 333.399 2.796 20 30 EFEDMM CC(C)CN(Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824261251 607518515 /nfs/dbraw/zinc/51/85/15/607518515.db2.gz GKWVCPVHTPRNRE-UHFFFAOYSA-N -1 1 333.399 2.796 20 30 EFEDMM Cc1cc(C(=O)Nc2cc(C#N)ccc2O)cc(C)c1OCC(=O)[O-] ZINC000832864739 601758964 /nfs/dbraw/zinc/75/89/64/601758964.db2.gz DXCRHSTWMTVOCK-UHFFFAOYSA-N -1 1 340.335 2.596 20 30 EFEDMM C=CCN1C(=O)N=NC1S[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825711019 601863375 /nfs/dbraw/zinc/86/33/75/601863375.db2.gz LQIAXSWAUQFWPU-SNVBAGLBSA-N -1 1 325.777 2.741 20 30 EFEDMM O=C(OCC#Cc1ccccc1Cl)c1sccc1-c1nn[n-]n1 ZINC000826462969 607604722 /nfs/dbraw/zinc/60/47/22/607604722.db2.gz OYBZTBRQDLXTME-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM CC(C)[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1CCCCC1 ZINC000833466350 604583199 /nfs/dbraw/zinc/58/31/99/604583199.db2.gz XIHYCNANOPMMQD-KRWDZBQOSA-N -1 1 344.411 2.810 20 30 EFEDMM C=CCOc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1OC ZINC000833377557 604659392 /nfs/dbraw/zinc/65/93/92/604659392.db2.gz BQKDIJUCJTYQMF-AWEZNQCLSA-N -1 1 337.441 2.652 20 30 EFEDMM C=CCc1cc(CN2CCSC[C@@H]2CC(=O)[O-])cc(OC)c1O ZINC000833379595 604660222 /nfs/dbraw/zinc/66/02/22/604660222.db2.gz HROFPGZUQSDGQJ-AWEZNQCLSA-N -1 1 337.441 2.521 20 30 EFEDMM C#CCOc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC000833366331 604867718 /nfs/dbraw/zinc/86/77/18/604867718.db2.gz RIIILTWRPMIWNE-UHFFFAOYSA-N -1 1 335.319 2.525 20 30 EFEDMM C=CCc1cc(CN[C@H](C(=O)[O-])c2cccnc2)cc(OC)c1OC ZINC000825705287 604997256 /nfs/dbraw/zinc/99/72/56/604997256.db2.gz AUXZWZRYUUHVRZ-KRWDZBQOSA-N -1 1 342.395 2.743 20 30 EFEDMM C#CC[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000833361036 605134004 /nfs/dbraw/zinc/13/40/04/605134004.db2.gz VOCZVOQHXSVDIE-QGZVFWFLSA-N -1 1 336.391 2.702 20 30 EFEDMM C#CCOc1ccccc1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833366925 605295880 /nfs/dbraw/zinc/29/58/80/605295880.db2.gz LVNNYYOXFRMFHK-UHFFFAOYSA-N -1 1 339.391 2.794 20 30 EFEDMM CC(=O)N1CCC(N=Nc2ccccc2C(=O)[O-])c2ccccc2C1 ZINC000778540813 605417768 /nfs/dbraw/zinc/41/77/68/605417768.db2.gz UOAFHCOJDRVPLT-UHFFFAOYSA-N -1 1 337.379 2.953 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3cc(O)ccc3c2)o1 ZINC000819781581 606370362 /nfs/dbraw/zinc/37/03/62/606370362.db2.gz ACYYYTRNRFPEII-UHFFFAOYSA-N -1 1 349.354 2.858 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C(C)(C)C)n1 ZINC000826359950 608754625 /nfs/dbraw/zinc/75/46/25/608754625.db2.gz TZJKAVPWYALITH-WAYWQWQTSA-N -1 1 342.428 2.855 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C(C)(C)C)n1 ZINC000826359950 608754627 /nfs/dbraw/zinc/75/46/27/608754627.db2.gz TZJKAVPWYALITH-WAYWQWQTSA-N -1 1 342.428 2.855 20 30 EFEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841503083 1251406159 /nfs/dbraw/zinc/40/61/59/1251406159.db2.gz IKIWLCSTUNKXDN-MRVPVSSYSA-N -1 1 335.784 2.509 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC#N)c2)cc1 ZINC000785442106 1258981200 /nfs/dbraw/zinc/98/12/00/1258981200.db2.gz PKQNBMMAORZPGT-UHFFFAOYSA-N -1 1 344.392 2.785 20 30 EFEDMM C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062150331 1260181130 /nfs/dbraw/zinc/18/11/30/1260181130.db2.gz JYIHYAVDAIJJGP-HUUCEWRRSA-N -1 1 345.443 2.500 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001273206432 1263281612 /nfs/dbraw/zinc/28/16/12/1263281612.db2.gz MNDAWJMLANCQMF-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM C=CCOCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000729890611 1264099794 /nfs/dbraw/zinc/09/97/94/1264099794.db2.gz LJSGCWOVRCNKHL-NSHDSACASA-N -1 1 343.408 2.655 20 30 EFEDMM CCC(Cc1cccs1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000730947879 1264490544 /nfs/dbraw/zinc/49/05/44/1264490544.db2.gz NIZUPZJPPOGFRG-UHFFFAOYSA-N -1 1 333.438 2.795 20 30 EFEDMM C[C@H](Oc1cccc(CN=Nc2cnnc3ccccc23)c1)C(=O)[O-] ZINC000733749952 1265401804 /nfs/dbraw/zinc/40/18/04/1265401804.db2.gz GPRAUYWLMPFYGX-LBPRGKRZSA-N -1 1 336.351 2.928 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2sc(N3CCCC3)nc2Cl)n1 ZINC000735969422 1267469746 /nfs/dbraw/zinc/46/97/46/1267469746.db2.gz JJLWUVGDZLQNRH-UHFFFAOYSA-N -1 1 338.824 2.647 20 30 EFEDMM CC1(C)CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000735971627 1267471169 /nfs/dbraw/zinc/47/11/69/1267471169.db2.gz OEMMAELMMNYIGT-UHFFFAOYSA-N -1 1 339.417 2.970 20 30 EFEDMM O=c1nc(C=N[O-])ccn1Cc1ccc(Cl)cc1Br ZINC000736307612 1267564174 /nfs/dbraw/zinc/56/41/74/1267564174.db2.gz YXYPYRNDGDGUBB-UHFFFAOYSA-N -1 1 342.580 2.516 20 30 EFEDMM C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC001078925218 1268552833 /nfs/dbraw/zinc/55/28/33/1268552833.db2.gz JRGKMGOUCUZKMG-HNNXBMFYSA-N -1 1 345.443 2.597 20 30 EFEDMM CC(C)CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)cc1 ZINC000740761883 1269041435 /nfs/dbraw/zinc/04/14/35/1269041435.db2.gz PFACQTFJXIUBOJ-UHFFFAOYSA-N -1 1 344.806 2.948 20 30 EFEDMM N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374686 1269154985 /nfs/dbraw/zinc/15/49/85/1269154985.db2.gz PIBPJRJWGVNTDG-SFHVURJKSA-N -1 1 349.381 2.541 20 30 EFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(F)ccc1F ZINC000743436432 1270588752 /nfs/dbraw/zinc/58/87/52/1270588752.db2.gz XBTDSQKBWCMMEH-UHFFFAOYSA-N -1 1 349.362 2.818 20 30 EFEDMM Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)n1-c1nccs1 ZINC000744517023 1271074468 /nfs/dbraw/zinc/07/44/68/1271074468.db2.gz WSNWUOCGDWBODG-UHFFFAOYSA-N -1 1 328.401 2.801 20 30 EFEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OCC#N)cc2)c1C ZINC000785510524 1275117893 /nfs/dbraw/zinc/11/78/93/1275117893.db2.gz SFDMPHNNLJCKLF-UHFFFAOYSA-N -1 1 344.392 2.785 20 30 EFEDMM C#CC(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001143914084 1278922677 /nfs/dbraw/zinc/92/26/77/1278922677.db2.gz CEESWRIPIWIZOC-UHFFFAOYSA-N -1 1 325.208 2.879 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746667878 1275742321 /nfs/dbraw/zinc/74/23/21/1275742321.db2.gz DHHLEKXSXWTXEC-UHFFFAOYSA-N -1 1 344.698 2.644 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCC#N)c2)[n-]c1=O ZINC000788356404 1276148193 /nfs/dbraw/zinc/14/81/93/1276148193.db2.gz WEUCGHBCLKRIBI-FMIVXFBMSA-N -1 1 339.351 2.822 20 30 EFEDMM N#Cc1cnc(NCC(=O)c2ccc([O-])c(O)c2)c2sccc21 ZINC001170316719 1279009376 /nfs/dbraw/zinc/00/93/76/1279009376.db2.gz ZYHKIHYPSKCGGB-UHFFFAOYSA-N -1 1 325.349 2.874 20 30 EFEDMM N#Cc1ncc(NCC(=O)c2ccc([O-])c(O)c2)cc1C(F)(F)F ZINC001170314826 1279010792 /nfs/dbraw/zinc/01/07/92/1279010792.db2.gz IZBMNOAGEJYRJE-UHFFFAOYSA-N -1 1 337.257 2.678 20 30 EFEDMM COc1ccc2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)sc2c1 ZINC000788733578 1276298899 /nfs/dbraw/zinc/29/88/99/1276298899.db2.gz UHZIICYBZPEYEM-SQRWCISFSA-N -1 1 343.360 2.533 20 30 EFEDMM COc1ccc2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)sc2c1 ZINC000788733572 1276299219 /nfs/dbraw/zinc/29/92/19/1276299219.db2.gz UHZIICYBZPEYEM-OGZRUICASA-N -1 1 343.360 2.533 20 30 EFEDMM COc1ccc2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)sc2c1 ZINC000788733567 1276299442 /nfs/dbraw/zinc/29/94/42/1276299442.db2.gz UHZIICYBZPEYEM-KJPDOMRESA-N -1 1 343.360 2.533 20 30 EFEDMM COc1ccc2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)sc2c1 ZINC000788733556 1276299506 /nfs/dbraw/zinc/29/95/06/1276299506.db2.gz UHZIICYBZPEYEM-JFDDCEBESA-N -1 1 343.360 2.533 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc(-c3ccco3)s2)c(=O)o1 ZINC000789126161 1276521292 /nfs/dbraw/zinc/52/12/92/1276521292.db2.gz CRSSDOCWXSZCST-ZRUQZJFASA-N -1 1 329.333 2.631 20 30 EFEDMM Cc1nn(C)c(/C=C/C(=O)c2cc(O)ccc2[O-])c1Br ZINC000790601811 1277674645 /nfs/dbraw/zinc/67/46/45/1277674645.db2.gz 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C=CCC1(S(=O)(=O)[N-]c2cc(Br)cnc2OC)CC1 ZINC001190772698 1292308811 /nfs/dbraw/zinc/30/88/11/1292308811.db2.gz IQUSNVQKWOUSAY-UHFFFAOYSA-N -1 1 347.234 2.703 20 30 EFEDMM C=CCC1(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC001190805425 1292323239 /nfs/dbraw/zinc/32/32/39/1292323239.db2.gz KYYNIKZOFFCSLZ-UHFFFAOYSA-N -1 1 349.861 2.594 20 30 EFEDMM N#Cc1ccc(CN2CC[C@H](N3CCCCC3)C(F)(F)C2)c([O-])c1 ZINC001233388149 1312921534 /nfs/dbraw/zinc/92/15/34/1312921534.db2.gz ODECCGNGXRDONV-KRWDZBQOSA-N -1 1 335.398 2.959 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(Cl)[nH]ccc2=O)c1 ZINC001190942661 1292380333 /nfs/dbraw/zinc/38/03/33/1292380333.db2.gz LABMKYZAMUCZJQ-UHFFFAOYSA-N -1 1 344.179 2.766 20 30 EFEDMM N#Cc1ccc(CN2CCN(c3ccc(Cl)cc3)C(=O)C2)c([O-])c1 ZINC001233387752 1312921996 /nfs/dbraw/zinc/92/19/96/1312921996.db2.gz WXBCHDFTUSNMPC-UHFFFAOYSA-N -1 1 341.798 2.766 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c(O)cc(F)cc2F)c1 ZINC001190971473 1292405230 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C[C@H](C#N)S(=O)(=O)[N-]c1ncc2ccccc2c1Br ZINC001193106631 1293171802 /nfs/dbraw/zinc/17/18/02/1293171802.db2.gz HVRVMPIFGCBFAL-MRVPVSSYSA-N -1 1 340.202 2.651 20 30 EFEDMM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)[C@H](C)C#N)cc2)n1 ZINC001193147121 1293186125 /nfs/dbraw/zinc/18/61/25/1293186125.db2.gz XYOXEMDISQDJKE-GFCCVEGCSA-N -1 1 348.453 2.898 20 30 EFEDMM COc1ccc(COc2cccc([N-]S(=O)(=O)[C@H](C)C#N)c2)cc1 ZINC001193149989 1293186901 /nfs/dbraw/zinc/18/69/01/1293186901.db2.gz UMRROMOGUIOBQG-CYBMUJFWSA-N -1 1 346.408 2.928 20 30 EFEDMM CCC[C@@H](C#Cc1ccccc1)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233761763 1312986445 /nfs/dbraw/zinc/98/64/45/1312986445.db2.gz PMSRMGOZZSIEHC-AWEZNQCLSA-N -1 1 326.352 2.568 20 30 EFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c1 ZINC001193387062 1293284897 /nfs/dbraw/zinc/28/48/97/1293284897.db2.gz WYVWRRMWJCFBDG-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COc1ccnc(C(=O)Nc2ccccc2-c2ccc(C#N)cn2)c1[O-] ZINC001193541979 1293331609 /nfs/dbraw/zinc/33/16/09/1293331609.db2.gz BCJMTRLNSBPQTQ-UHFFFAOYSA-N -1 1 346.346 2.982 20 30 EFEDMM N#Cc1ccc(C(=O)N2Cc3ccccc3N3CCC[C@@H]3C2)cc1[O-] ZINC000882813341 1293333251 /nfs/dbraw/zinc/33/32/51/1293333251.db2.gz KRFXADCHVAIUGL-QGZVFWFLSA-N -1 1 333.391 2.889 20 30 EFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2F)c1 ZINC001193681452 1293408164 /nfs/dbraw/zinc/40/81/64/1293408164.db2.gz ZMSFSBXAOODANI-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131070130 1293474727 /nfs/dbraw/zinc/47/47/27/1293474727.db2.gz YEACSAYJJXLQKJ-LBPRGKRZSA-N -1 1 344.714 2.604 20 30 EFEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3N)cc2s1 ZINC001193928374 1293479651 /nfs/dbraw/zinc/47/96/51/1293479651.db2.gz GDHHXXDNGPDDSO-UHFFFAOYSA-N -1 1 330.394 2.551 20 30 EFEDMM N#CCc1ccccc1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC001194094646 1293529564 /nfs/dbraw/zinc/52/95/64/1293529564.db2.gz JGKIMMKBDFGTAD-UHFFFAOYSA-N -1 1 327.365 2.836 20 30 EFEDMM C=C[C@@H](Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1)C(=O)OC ZINC001233940097 1313021951 /nfs/dbraw/zinc/02/19/51/1313021951.db2.gz AMDSPAYKNHULFZ-GOSISDBHSA-N -1 1 326.348 2.924 20 30 EFEDMM N#CCN1CC[C@H](Oc2ccc(CC(=O)c3ccc([O-])cc3)cc2)C1 ZINC001233942430 1313023133 /nfs/dbraw/zinc/02/31/33/1313023133.db2.gz XLXBFNQJKRUOKW-IBGZPJMESA-N -1 1 336.391 2.794 20 30 EFEDMM CCCNC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001202584479 1293808447 /nfs/dbraw/zinc/80/84/47/1293808447.db2.gz ISEMEGFXULRUNT-RQZCQDPDSA-N -1 1 331.401 2.753 20 30 EFEDMM N#Cc1ccccc1OCCCNC(=O)c1cc([O-])cnc1Cl ZINC001195313110 1293889466 /nfs/dbraw/zinc/88/94/66/1293889466.db2.gz PONBMSGTLCCNIE-UHFFFAOYSA-N -1 1 331.759 2.511 20 30 EFEDMM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(C)cc(C#N)c1 ZINC001195419410 1293927174 /nfs/dbraw/zinc/92/71/74/1293927174.db2.gz GAICDMMGIHUJIU-UHFFFAOYSA-N -1 1 328.299 2.750 20 30 EFEDMM CCOC(=O)NC(=S)[N-]c1cc(C#N)ccc1Br ZINC001195492925 1293943334 /nfs/dbraw/zinc/94/33/34/1293943334.db2.gz RCJXUCSHWUAJQT-UHFFFAOYSA-N -1 1 328.191 2.764 20 30 EFEDMM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195505931 1293946272 /nfs/dbraw/zinc/94/62/72/1293946272.db2.gz XZDJRHMVTYPPFI-LBPRGKRZSA-N -1 1 334.210 2.668 20 30 EFEDMM Cc1nn(CC(F)(F)F)c(C)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001195582988 1293962138 /nfs/dbraw/zinc/96/21/38/1293962138.db2.gz NNOSLMPOULVALW-UHFFFAOYSA-N -1 1 338.289 2.892 20 30 EFEDMM N#Cc1c2ccccc2sc1NC(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196013490 1294105684 /nfs/dbraw/zinc/10/56/84/1294105684.db2.gz DIASIOVENPWHSE-UHFFFAOYSA-N -1 1 328.378 2.810 20 30 EFEDMM N#Cc1ccc(-c2ccccc2NC(=O)c2c[nH]c(=S)[n-]c2=O)nc1 ZINC001196019728 1294108100 /nfs/dbraw/zinc/10/81/00/1294108100.db2.gz ANAONXNMKHFPAG-UHFFFAOYSA-N -1 1 349.375 2.657 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3ccncn3)c2)c1 ZINC001196319555 1294196276 /nfs/dbraw/zinc/19/62/76/1294196276.db2.gz ASPVOBXEESZHGU-UHFFFAOYSA-N -1 1 330.347 2.651 20 30 EFEDMM Cc1cc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)[nH]n1 ZINC001196319940 1294196498 /nfs/dbraw/zinc/19/64/98/1294196498.db2.gz GSIUUQSPSUCFFK-UHFFFAOYSA-N -1 1 332.363 2.892 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3cncnc3)c2)c1 ZINC001196319917 1294196665 /nfs/dbraw/zinc/19/66/65/1294196665.db2.gz GKJDLPRGGMMFKM-UHFFFAOYSA-N -1 1 330.347 2.651 20 30 EFEDMM Cn1cc(CCNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)cn1 ZINC001196329650 1294198706 /nfs/dbraw/zinc/19/87/06/1294198706.db2.gz GEHZHIYTMFHXPG-UHFFFAOYSA-N -1 1 346.390 2.637 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@H]3CCC[C@H]3CO)c2)c1 ZINC001196329323 1294199231 /nfs/dbraw/zinc/19/92/31/1294199231.db2.gz VJLAUDSUGLLCEQ-KXBFYZLASA-N -1 1 336.391 2.822 20 30 EFEDMM CC1(C)[C@H](NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C[C@@H]1O ZINC001196330643 1294199366 /nfs/dbraw/zinc/19/93/66/1294199366.db2.gz YNEPSUNEAOIBQY-MSOLQXFVSA-N -1 1 336.391 2.820 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CO)cc1F ZINC001196679922 1294313848 /nfs/dbraw/zinc/31/38/48/1294313848.db2.gz QVFKLQOQPLIBOZ-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC001196680065 1294314344 /nfs/dbraw/zinc/31/43/44/1294314344.db2.gz VWUNJHULNSZVLU-UHFFFAOYSA-N -1 1 326.736 2.857 20 30 EFEDMM N#Cc1ccc(-c2ccc(C(=O)NCCCC[P@@](=O)([O-])O)o2)cc1 ZINC001197402201 1294531626 /nfs/dbraw/zinc/53/16/26/1294531626.db2.gz ZTLGYBPWSXUHKA-UHFFFAOYSA-N -1 1 348.295 2.506 20 30 EFEDMM N#Cc1cccc(NC(=S)Nc2[nH]c(=S)[n-]c(=O)c2N=O)c1 ZINC001197678404 1294665970 /nfs/dbraw/zinc/66/59/70/1294665970.db2.gz NFZZEQYHIZGZSZ-UHFFFAOYSA-N -1 1 332.370 2.549 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2)c(=O)o1 ZINC000048520689 1294864173 /nfs/dbraw/zinc/86/41/73/1294864173.db2.gz UUHNHXIWFJXSJD-HJHHMULASA-N -1 1 335.153 2.677 20 30 EFEDMM CCC[C@H](C#Cc1ccccc1)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234560236 1313157876 /nfs/dbraw/zinc/15/78/76/1313157876.db2.gz BWVIKXFMUHNTLY-OAHLLOKOSA-N -1 1 340.379 2.876 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H](C)C#C[Si](C)(C)C ZINC001234562219 1313158514 /nfs/dbraw/zinc/15/85/14/1313158514.db2.gz XHYATXOGYLCWRE-NSHDSACASA-N -1 1 336.464 2.740 20 30 EFEDMM C=C[C@]1(C)CC[C@@H](Oc2c(C(=O)OC)nc(C)[n-]c2=O)C(C)(C)O1 ZINC001234564603 1313159699 /nfs/dbraw/zinc/15/96/99/1313159699.db2.gz MJQKHFQHMBBEEN-PIGZYNQJSA-N -1 1 336.388 2.558 20 30 EFEDMM CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606989 1313167175 /nfs/dbraw/zinc/16/71/75/1313167175.db2.gz UTAOONTVYSPCDW-CYBMUJFWSA-N -1 1 329.327 2.922 20 30 EFEDMM C[Si](C)(C)c1ccnc(C(=O)Nc2ccc(C#N)cc2[O-])c1F ZINC001199737849 1295716738 /nfs/dbraw/zinc/71/67/38/1295716738.db2.gz FGKLCQFXBCYIKS-UHFFFAOYSA-N -1 1 329.407 2.595 20 30 EFEDMM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1ccccc1C=N[O-] ZINC001234822234 1313194762 /nfs/dbraw/zinc/19/47/62/1313194762.db2.gz LXXVEJJKOHYLAJ-MRXNPFEDSA-N -1 1 327.384 2.836 20 30 EFEDMM Cc1cc(N2CC[C@@H](Oc3ccccc3C=N[O-])C2)nc(Cl)n1 ZINC001234820312 1313194641 /nfs/dbraw/zinc/19/46/41/1313194641.db2.gz UZQKVGSCKNQTPX-CYBMUJFWSA-N -1 1 332.791 2.904 20 30 EFEDMM C=CCN1CC[C@]2(CCCN2Cc2cc(Cl)cc(F)c2[O-])C1=O ZINC001274366485 1296074041 /nfs/dbraw/zinc/07/40/41/1296074041.db2.gz YBEXSQRSWQELBC-QGZVFWFLSA-N -1 1 338.810 2.938 20 30 EFEDMM C=C(Cl)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncccc1[O-] ZINC000960257843 1296660141 /nfs/dbraw/zinc/66/01/41/1296660141.db2.gz TXFXRCXOLPRTED-GDBMZVCRSA-N -1 1 343.814 2.525 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nsnc3c2)cc1C#N ZINC001201287402 1296682233 /nfs/dbraw/zinc/68/22/33/1296682233.db2.gz JDFBMUDYWDGNAP-UHFFFAOYSA-N -1 1 330.394 2.672 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C)c2)cc1C#N ZINC001201315781 1296722192 /nfs/dbraw/zinc/72/21/92/1296722192.db2.gz LHOOYJGOTDBWBI-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1C#N ZINC001201317577 1296723452 /nfs/dbraw/zinc/72/34/52/1296723452.db2.gz VOJFAWMEAVNHDP-UHFFFAOYSA-N -1 1 340.364 2.718 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCC(=O)N3)cc1C#N ZINC001201322098 1296726849 /nfs/dbraw/zinc/72/68/49/1296726849.db2.gz CQQOUVSTCHIQEY-UHFFFAOYSA-N -1 1 341.392 2.552 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1C#N ZINC001201323362 1296727038 /nfs/dbraw/zinc/72/70/38/1296727038.db2.gz BUFSWUSRRLXRIZ-UHFFFAOYSA-N -1 1 340.360 2.774 20 30 EFEDMM COC(=O)c1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201322309 1296727937 /nfs/dbraw/zinc/72/79/37/1296727937.db2.gz IMKXWONXBDETTR-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM CCCCCCCCCCS(=O)(=O)[N-]C(C(=O)OCC)=C(C)O ZINC001201837961 1297121377 /nfs/dbraw/zinc/12/13/77/1297121377.db2.gz CHQZYGXRGUYMMF-HNNXBMFYSA-N -1 1 349.493 2.567 20 30 EFEDMM C[C@H]1COCCN1c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776350811 1297930026 /nfs/dbraw/zinc/93/00/26/1297930026.db2.gz PYSYPWAQJGHDHU-ZDUSSCGKSA-N -1 1 337.379 2.741 20 30 EFEDMM O=S(=O)(NC1CC1)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001236466099 1313484249 /nfs/dbraw/zinc/48/42/49/1313484249.db2.gz OVQIRCTZZHTQTJ-VCHYOVAHSA-N -1 1 334.372 2.742 20 30 EFEDMM COC(=O)Nc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1F ZINC000776644484 1300017750 /nfs/dbraw/zinc/01/77/50/1300017750.db2.gz ARCLNNAZYMXOBV-UHFFFAOYSA-N -1 1 329.287 2.834 20 30 EFEDMM CO[C@H](C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCCC1 ZINC000853306089 1300081693 /nfs/dbraw/zinc/08/16/93/1300081693.db2.gz JUFKDPPTYUZTRF-CYBMUJFWSA-N -1 1 346.435 2.890 20 30 EFEDMM N#C[C@@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237779541 1313704596 /nfs/dbraw/zinc/70/45/96/1313704596.db2.gz IBCUALLVXBFDEW-JTQLQIEISA-N -1 1 342.180 2.732 20 30 EFEDMM N#C[C@@H]1CCCCN1Cc1cccc(I)c1[O-] ZINC001237780328 1313705002 /nfs/dbraw/zinc/70/50/02/1313705002.db2.gz OAKLBSMSJHZBCC-NSHDSACASA-N -1 1 342.180 2.875 20 30 EFEDMM N#CCOc1cccc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000089689429 1300853866 /nfs/dbraw/zinc/85/38/66/1300853866.db2.gz RHVDPBQFZGZNFY-UHFFFAOYSA-N -1 1 325.250 2.557 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795379825 1300873453 /nfs/dbraw/zinc/87/34/53/1300873453.db2.gz 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N#Cc1ccc([N-]S(=O)(=O)CCC(F)(F)F)c2cccnc12 ZINC001259874457 1316290773 /nfs/dbraw/zinc/29/07/73/1316290773.db2.gz VTMBNUZBGAGTDI-UHFFFAOYSA-N -1 1 329.303 2.801 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)OCC ZINC001259931153 1316299059 /nfs/dbraw/zinc/29/90/59/1316299059.db2.gz VYKVHDHRUFDIES-UHFFFAOYSA-N -1 1 348.218 2.554 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1cccc2cnn(C(=O)OC(C)(C)C)c21 ZINC001259932101 1316299347 /nfs/dbraw/zinc/29/93/47/1316299347.db2.gz SAJJIIQZDBXUCM-UHFFFAOYSA-N -1 1 337.401 2.747 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)CC ZINC001259932256 1316299412 /nfs/dbraw/zinc/29/94/12/1316299412.db2.gz WYSYJJUKBUOXSQ-UHFFFAOYSA-N -1 1 332.219 2.970 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001259931498 1316299546 /nfs/dbraw/zinc/29/95/46/1316299546.db2.gz NFQUYRVOYJZOGK-UHFFFAOYSA-N -1 1 336.800 2.894 20 30 EFEDMM N#Cc1cccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC001260028043 1316309345 /nfs/dbraw/zinc/30/93/45/1316309345.db2.gz VEGHUGACDOOPHE-UHFFFAOYSA-N -1 1 341.314 2.914 20 30 EFEDMM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044031 1316310677 /nfs/dbraw/zinc/31/06/77/1316310677.db2.gz YDLVLUIGGBNSHF-UHFFFAOYSA-N -1 1 332.356 2.842 20 30 EFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)cc1 ZINC001260238783 1316325774 /nfs/dbraw/zinc/32/57/74/1316325774.db2.gz SHIGGLJWQTUQTR-GFCCVEGCSA-N -1 1 344.392 2.901 20 30 EFEDMM O=C1C=C([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCC1 ZINC001260472002 1316341193 /nfs/dbraw/zinc/34/11/93/1316341193.db2.gz DMBWRLHIYPRUAA-UHFFFAOYSA-N -1 1 326.226 2.970 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(OC)c2)cc1C ZINC001260638177 1316351976 /nfs/dbraw/zinc/35/19/76/1316351976.db2.gz RVQJJKBLYJURRX-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cc1F ZINC001260662500 1316356340 /nfs/dbraw/zinc/35/63/40/1316356340.db2.gz JDNOVHMZMILDFN-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1C#N ZINC001260761327 1316365646 /nfs/dbraw/zinc/36/56/46/1316365646.db2.gz KTUGTYXPCLILMI-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c1 ZINC001260810980 1316370943 /nfs/dbraw/zinc/37/09/43/1316370943.db2.gz YAPIVIJTKAUKNQ-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM N#Cc1cccc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC001260890682 1316375450 /nfs/dbraw/zinc/37/54/50/1316375450.db2.gz SWORZEBCLCWYNG-UHFFFAOYSA-N -1 1 341.314 2.914 20 30 EFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)C1CCC1 ZINC001263336885 1316532846 /nfs/dbraw/zinc/53/28/46/1316532846.db2.gz NZCGPTHZGPRLPO-UHFFFAOYSA-N -1 1 340.431 2.883 20 30 EFEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CC1CC1 ZINC001263336697 1316532971 /nfs/dbraw/zinc/53/29/71/1316532971.db2.gz LRACRMDUQAPUCO-UHFFFAOYSA-N -1 1 340.431 2.740 20 30 EFEDMM Cc1ccc(N=NCc2c(Br)cc(C(=O)[O-])n2C)nc1 ZINC001318640416 1328658667 /nfs/dbraw/zinc/65/86/67/1328658667.db2.gz GMLVOAMBUYULRG-UHFFFAOYSA-N -1 1 337.177 2.635 20 30 EFEDMM C=CCSCC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319965021 1329044997 /nfs/dbraw/zinc/04/49/97/1329044997.db2.gz XQEXQVPOIQQHGC-UHFFFAOYSA-N -1 1 327.258 2.586 20 30 EFEDMM C=CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)OCC ZINC001320424714 1329129030 /nfs/dbraw/zinc/12/90/30/1329129030.db2.gz OZHAOVWRMJRVQT-LLVKDONJSA-N -1 1 331.290 2.649 20 30 EFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC001323496588 1329547049 /nfs/dbraw/zinc/54/70/49/1329547049.db2.gz HOCNSAIDVPBXSD-UHFFFAOYSA-N -1 1 338.392 2.944 20 30 EFEDMM CC#CC[C@@H](NCc1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC001332032614 1330907631 /nfs/dbraw/zinc/90/76/31/1330907631.db2.gz NJTJJUDEPSUNPB-OAHLLOKOSA-N -1 1 331.803 2.790 20 30 EFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC001338037372 1331639289 /nfs/dbraw/zinc/63/92/89/1331639289.db2.gz LZRDEOURAXVFSA-CQSZACIVSA-N -1 1 332.372 2.580 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)c1 ZINC001338843697 1331745395 /nfs/dbraw/zinc/74/53/95/1331745395.db2.gz TUTGWVZAIAWCGE-UHFFFAOYSA-N -1 1 342.376 2.949 20 30 EFEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)CCCOC ZINC001339036454 1331775097 /nfs/dbraw/zinc/77/50/97/1331775097.db2.gz FAYHGLMAZVPTFZ-UHFFFAOYSA-N -1 1 336.823 2.963 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001342040312 1332297523 /nfs/dbraw/zinc/29/75/23/1332297523.db2.gz PBHBJYJYNOUFRY-NEPJUHHUSA-N -1 1 340.431 2.739 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@@H](C)c1ccco1 ZINC001342083021 1332302850 /nfs/dbraw/zinc/30/28/50/1332302850.db2.gz UGLGAEWRZNHXBJ-NSHDSACASA-N -1 1 328.376 2.740 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001342186166 1332314841 /nfs/dbraw/zinc/31/48/41/1332314841.db2.gz QNUMGIQMMQWHCX-LBPRGKRZSA-N -1 1 330.436 2.822 20 30 EFEDMM C=CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC(=C)C)C1 ZINC001343714018 1332372188 /nfs/dbraw/zinc/37/21/88/1332372188.db2.gz JIIDMAMDIIZCIH-ZDUSSCGKSA-N -1 1 328.420 2.742 20 30 EFEDMM Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccc3cncn3c2C)c1 ZINC001344400751 1332449365 /nfs/dbraw/zinc/44/93/65/1332449365.db2.gz HLVZTTYHPBCNIW-GOSISDBHSA-N -1 1 346.390 2.590 20 30 EFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001346182300 1332609125 /nfs/dbraw/zinc/60/91/25/1332609125.db2.gz YBOPKKOYFZHBPK-UHFFFAOYSA-N -1 1 336.244 2.997 20 30 EFEDMM CSc1nc(C)c(CCC(=O)[C@H](C#N)c2cccc(F)n2)c(=O)[n-]1 ZINC001357599035 1335319839 /nfs/dbraw/zinc/31/98/39/1335319839.db2.gz OMBTUZFJZNHREM-LLVKDONJSA-N -1 1 346.387 2.556 20 30 EFEDMM Cc1onc(CC(=O)Nc2cccc([O-])c2Br)c1C#N ZINC001362611483 1336673628 /nfs/dbraw/zinc/67/36/28/1336673628.db2.gz MOEUGBLAIZKBRN-UHFFFAOYSA-N -1 1 336.145 2.504 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)cc1[O-] ZINC001363556963 1336930357 /nfs/dbraw/zinc/93/03/57/1336930357.db2.gz GPAZJSFUIOGCQV-INIZCTEOSA-N -1 1 326.327 2.696 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(F)ccc1N(C)C ZINC001363694242 1336998193 /nfs/dbraw/zinc/99/81/93/1336998193.db2.gz ROOAVXNSHZRQSI-NSHDSACASA-N -1 1 327.359 2.960 20 30 EFEDMM Cc1cc(NC(=O)c2cc(Br)ccc2[O-])n(CCC#N)n1 ZINC001464381304 1396570127 /nfs/dbraw/zinc/57/01/27/1396570127.db2.gz OHOXZISEXNHDAE-UHFFFAOYSA-N -1 1 349.188 2.826 20 30 EFEDMM C[C@@H](CC#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735964322 1426178236 /nfs/dbraw/zinc/17/82/36/1426178236.db2.gz YEWIEYPPCPCLHX-LBPRGKRZSA-N -1 1 348.366 2.691 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc(C(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737708939 1428630040 /nfs/dbraw/zinc/63/00/40/1428630040.db2.gz JYFKKRUGYHERDI-UHFFFAOYSA-N -1 1 340.293 2.928 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(F)cc1C#N ZINC000826252497 1428669411 /nfs/dbraw/zinc/66/94/11/1428669411.db2.gz FMLZIIAJWCFRTN-UHFFFAOYSA-N -1 1 337.314 2.543 20 30 EFEDMM C=CCC[C@@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823894223 1428765978 /nfs/dbraw/zinc/76/59/78/1428765978.db2.gz KPZGBCVHMCIPEL-OAHLLOKOSA-N -1 1 328.372 2.534 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826257273 1428852183 /nfs/dbraw/zinc/85/21/83/1428852183.db2.gz VRNGWWVJLBNNPV-LBPRGKRZSA-N -1 1 332.367 2.538 20 30 EFEDMM N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826383989 1428879321 /nfs/dbraw/zinc/87/93/21/1428879321.db2.gz ASXRDWYDTUOCFO-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM C=CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000819740232 1428950754 /nfs/dbraw/zinc/95/07/54/1428950754.db2.gz VHRNPAPTDVVFIG-UHFFFAOYSA-N -1 1 341.321 2.978 20 30 EFEDMM CC(N=Nc1ncccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962811 1428981454 /nfs/dbraw/zinc/98/14/54/1428981454.db2.gz PCNCVHSTSXMCIC-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM CC(=NNc1ncccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962811 1428981457 /nfs/dbraw/zinc/98/14/57/1428981457.db2.gz PCNCVHSTSXMCIC-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1OCc1cn2ccccc2c1C#N ZINC000822135931 1429121551 /nfs/dbraw/zinc/12/15/51/1429121551.db2.gz GZDDOWDQYPWPMC-UHFFFAOYSA-N -1 1 330.351 2.879 20 30 EFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000116905091 1416993539 /nfs/dbraw/zinc/99/35/39/1416993539.db2.gz OAHPJJISHDPVBR-QMMMGPOBSA-N -1 1 349.206 2.600 20 30 EFEDMM C#CCOc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380028 1429168465 /nfs/dbraw/zinc/16/84/65/1429168465.db2.gz BDUHORRTSHQLOJ-UHFFFAOYSA-N -1 1 332.367 2.715 20 30 EFEDMM N#Cc1ccc(COc2cccc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822825461 1429226387 /nfs/dbraw/zinc/22/63/87/1429226387.db2.gz GQTAIKWBWIDWEX-UHFFFAOYSA-N -1 1 343.293 2.919 20 30 EFEDMM C#CCCCCCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000823840955 1429297266 /nfs/dbraw/zinc/29/72/66/1429297266.db2.gz HAFLJBBLLBORED-UHFFFAOYSA-N -1 1 337.383 2.746 20 30 EFEDMM C#CCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735375312 1429310504 /nfs/dbraw/zinc/31/05/04/1429310504.db2.gz XWNJLUGTEZWPNI-UHFFFAOYSA-N -1 1 349.419 2.771 20 30 EFEDMM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1O ZINC000821712109 1429331793 /nfs/dbraw/zinc/33/17/93/1429331793.db2.gz CQBYPCMJWBMVFE-MDWZMJQESA-N -1 1 348.362 2.793 20 30 EFEDMM N#Cc1ccc2[nH]cc(C=NNc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822833294 1429474147 /nfs/dbraw/zinc/47/41/47/1429474147.db2.gz NRDLUMAOWYHYFW-UHFFFAOYSA-N -1 1 328.339 2.666 20 30 EFEDMM C=CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823898758 1429560683 /nfs/dbraw/zinc/56/06/83/1429560683.db2.gz AAVQLNCWSQUJHL-UHFFFAOYSA-N -1 1 341.415 2.593 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=CC(C)(C)C ZINC000735419236 1429561052 /nfs/dbraw/zinc/56/10/52/1429561052.db2.gz QUYBANLEPBPDOY-KTKRTIGZSA-N -1 1 325.416 2.984 20 30 EFEDMM CC(=NNc1cc(C#N)cc(Cl)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823958806 1429588132 /nfs/dbraw/zinc/58/81/32/1429588132.db2.gz XNYHMZJJKOZCRX-UHFFFAOYSA-N -1 1 338.762 2.623 20 30 EFEDMM N#CCCN(Cc1ccco1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822810379 1429588553 /nfs/dbraw/zinc/58/85/53/1429588553.db2.gz HTHYECAKZDIJHG-UHFFFAOYSA-N -1 1 326.335 2.515 20 30 EFEDMM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)Nc2nn[n-]n2)c1 ZINC000116975204 1423247011 /nfs/dbraw/zinc/24/70/11/1423247011.db2.gz SHERIQGOGBQMGY-UHFFFAOYSA-N -1 1 340.730 2.769 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819689101 1423256020 /nfs/dbraw/zinc/25/60/20/1423256020.db2.gz UPXKVAWSLMUOFB-GFCCVEGCSA-N -1 1 334.335 2.838 20 30 EFEDMM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963158 1423357717 /nfs/dbraw/zinc/35/77/17/1423357717.db2.gz XCGJZMJUCAUFKN-UHFFFAOYSA-N -1 1 347.357 2.812 20 30 EFEDMM CCc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000736687678 1423478462 /nfs/dbraw/zinc/47/84/62/1423478462.db2.gz CZTAWDMAYANKPM-UHFFFAOYSA-N -1 1 337.412 2.570 20 30 EFEDMM C=C(C)CN(CC)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735399808 1423625853 /nfs/dbraw/zinc/62/58/53/1423625853.db2.gz WDTDGVXQQUNJBV-UHFFFAOYSA-N -1 1 331.424 2.853 20 30 EFEDMM Cc1ccnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C#N ZINC000826310354 1429665653 /nfs/dbraw/zinc/66/56/53/1429665653.db2.gz SOQBHTYUPNPSCB-UHFFFAOYSA-N -1 1 343.394 2.736 20 30 EFEDMM C=CCC[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823894222 1423757420 /nfs/dbraw/zinc/75/74/20/1423757420.db2.gz KPZGBCVHMCIPEL-HNNXBMFYSA-N -1 1 328.372 2.534 20 30 EFEDMM C=C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000131993274 1423957275 /nfs/dbraw/zinc/95/72/75/1423957275.db2.gz HXFBKWIRLMTCSL-OAHLLOKOSA-N -1 1 333.395 2.843 20 30 EFEDMM C(=NNCCCc1ccccc1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819719069 1423999232 /nfs/dbraw/zinc/99/92/32/1423999232.db2.gz YOOJGVPCEINMKL-UHFFFAOYSA-N -1 1 345.410 2.904 20 30 EFEDMM N#CCCN(Cc1ccco1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822810064 1424003215 /nfs/dbraw/zinc/00/32/15/1424003215.db2.gz BJWLROODDQEASA-UHFFFAOYSA-N -1 1 326.335 2.515 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000737719326 1424335289 /nfs/dbraw/zinc/33/52/89/1424335289.db2.gz PBLRCWHASNMQRH-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000274303115 1424616580 /nfs/dbraw/zinc/61/65/80/1424616580.db2.gz AABQTSJVBAFLLU-CQSZACIVSA-N -1 1 330.392 2.776 20 30 EFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823909505 1424626653 /nfs/dbraw/zinc/62/66/53/1424626653.db2.gz GTKSDQIZEUFGHM-UHFFFAOYSA-N -1 1 348.819 2.738 20 30 EFEDMM N#Cc1ccc(Sc2nccnc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000826385983 1429746853 /nfs/dbraw/zinc/74/68/53/1429746853.db2.gz KGYSROFRRRTTEY-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM CCCCCCCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271828 1424705800 /nfs/dbraw/zinc/70/58/00/1424705800.db2.gz OSNRRFUJDPDFRC-INIZCTEOSA-N -1 1 345.447 2.767 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826385380 1424749623 /nfs/dbraw/zinc/74/96/23/1424749623.db2.gz JOEBKKYCUBGYKP-KRWDZBQOSA-N -1 1 344.378 2.871 20 30 EFEDMM C=CCC[C@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894499 1425070615 /nfs/dbraw/zinc/07/06/15/1425070615.db2.gz RPTGPXYRUNMLJV-BBRMVZONSA-N -1 1 341.415 2.733 20 30 EFEDMM Cc1cc(O)cc2c1C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)O2 ZINC000822210798 1425087738 /nfs/dbraw/zinc/08/77/38/1425087738.db2.gz RKKVUPQMWADBLD-WDZFZDKYSA-N -1 1 326.337 2.558 20 30 EFEDMM C=C[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819729835 1425109322 /nfs/dbraw/zinc/10/93/22/1425109322.db2.gz NKKZBDCHFALBJS-ZDUSSCGKSA-N -1 1 349.394 2.750 20 30 EFEDMM CC(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819817497 1425145838 /nfs/dbraw/zinc/14/58/38/1425145838.db2.gz JFJODVCVTWAWQD-AATRIKPKSA-N -1 1 339.380 2.783 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1CCC1 ZINC000823909683 1425241936 /nfs/dbraw/zinc/24/19/36/1425241936.db2.gz NCLIFRDCPNYNRE-ZDUSSCGKSA-N -1 1 340.431 2.753 20 30 EFEDMM C=C[C@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819729632 1425409379 /nfs/dbraw/zinc/40/93/79/1425409379.db2.gz JTSFYHHISCRGSU-ZDUSSCGKSA-N -1 1 349.394 2.750 20 30 EFEDMM Cc1ncc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000823958843 1425448763 /nfs/dbraw/zinc/44/87/63/1425448763.db2.gz YWSIPCPWXDMHPL-UHFFFAOYSA-N -1 1 334.796 2.516 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cnc(C)s1 ZINC000823958843 1425448767 /nfs/dbraw/zinc/44/87/67/1425448767.db2.gz YWSIPCPWXDMHPL-UHFFFAOYSA-N -1 1 334.796 2.516 20 30 EFEDMM CC(C)CCN(CCC#N)CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820076945 1425725367 /nfs/dbraw/zinc/72/53/67/1425725367.db2.gz WTLRNGWEJUJEKA-UHFFFAOYSA-N -1 1 328.420 2.507 20 30 EFEDMM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1(C)C ZINC000735680828 1425765249 /nfs/dbraw/zinc/76/52/49/1425765249.db2.gz ZQJJEPBXWMOSJE-GJZGRUSLSA-N -1 1 336.399 2.915 20 30 EFEDMM C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000824035055 1425895792 /nfs/dbraw/zinc/89/57/92/1425895792.db2.gz SITVPOLCEZJWME-JTQLQIEISA-N -1 1 326.385 2.831 20 30 EFEDMM Cc1ccc(F)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1F ZINC000826289096 1425898300 /nfs/dbraw/zinc/89/83/00/1425898300.db2.gz KKFCZVDWKVCKSD-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000826169660 1425914639 /nfs/dbraw/zinc/91/46/39/1425914639.db2.gz ACFGBCWLOSCKRT-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000826169660 1425914643 /nfs/dbraw/zinc/91/46/43/1425914643.db2.gz ACFGBCWLOSCKRT-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1-c1nnn[n-]1 ZINC000737710042 1426211993 /nfs/dbraw/zinc/21/19/93/1426211993.db2.gz UPBCHQXVUZCMAN-UHFFFAOYSA-N -1 1 344.378 2.869 20 30 EFEDMM COc1cc(F)cc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826180398 1426256314 /nfs/dbraw/zinc/25/63/14/1426256314.db2.gz FVWOIAWEGCOZKT-UHFFFAOYSA-N -1 1 344.325 2.990 20 30 EFEDMM CC[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736310076 1426308720 /nfs/dbraw/zinc/30/87/20/1426308720.db2.gz UJTQLNOGGASDNZ-CQSZACIVSA-N -1 1 347.382 2.642 20 30 EFEDMM N#Cc1ccc(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826384859 1426313019 /nfs/dbraw/zinc/31/30/19/1426313019.db2.gz MIRGDMWGRWXIBI-UHFFFAOYSA-N -1 1 332.367 2.621 20 30 EFEDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(C#N)c1 ZINC000821412345 1426334422 /nfs/dbraw/zinc/33/44/22/1426334422.db2.gz KMBMRNKEPCLUCD-UHFFFAOYSA-N -1 1 338.346 2.888 20 30 EFEDMM CC(=NNc1cnnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450935 1426554018 /nfs/dbraw/zinc/55/40/18/1426554018.db2.gz KTXIBOPQDVLQCN-UHFFFAOYSA-N -1 1 330.355 2.646 20 30 EFEDMM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C#N)c1C ZINC000826251756 1426561395 /nfs/dbraw/zinc/56/13/95/1426561395.db2.gz ZKCILMAPIJOEGL-UHFFFAOYSA-N -1 1 338.396 2.977 20 30 EFEDMM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403485 1426743925 /nfs/dbraw/zinc/74/39/25/1426743925.db2.gz UALYNBJTYLBFRQ-XQRVVYSFSA-N -1 1 329.722 2.950 20 30 EFEDMM CC(=NNCCCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953610 1426750778 /nfs/dbraw/zinc/75/07/78/1426750778.db2.gz ISJHSRYFUKJCPM-UHFFFAOYSA-N -1 1 326.429 2.875 20 30 EFEDMM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820831672 1426757065 /nfs/dbraw/zinc/75/70/65/1426757065.db2.gz ASJIADKATXMHHS-UHFFFAOYSA-N -1 1 349.442 2.837 20 30 EFEDMM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402730 1426829402 /nfs/dbraw/zinc/82/94/02/1426829402.db2.gz AIPJQIMQFCOVBG-DAFODLJHSA-N -1 1 345.315 2.872 20 30 EFEDMM CC(C)CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000820051787 1426911938 /nfs/dbraw/zinc/91/19/38/1426911938.db2.gz WLYQZNJNQDYLOO-UHFFFAOYSA-N -1 1 335.415 2.802 20 30 EFEDMM Fc1ccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822782789 1426914332 /nfs/dbraw/zinc/91/43/32/1426914332.db2.gz GWKQQOBRDCXVCU-UHFFFAOYSA-N -1 1 335.346 2.611 20 30 EFEDMM CCCCCCCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907474319 1426928716 /nfs/dbraw/zinc/92/87/16/1426928716.db2.gz GNDCPYCMYKWDLW-ZDUSSCGKSA-N -1 1 325.482 2.957 20 30 EFEDMM C=CCC[C@@H](C(=O)N1CCC(c2nnn[n-]2)CC1)c1ccccc1 ZINC000913744344 1427080055 /nfs/dbraw/zinc/08/00/55/1427080055.db2.gz KFPDXEOMXRRTER-MRXNPFEDSA-N -1 1 325.416 2.656 20 30 EFEDMM N#CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000826381545 1427120412 /nfs/dbraw/zinc/12/04/12/1427120412.db2.gz PUCJCIZEXRLWIK-GFCCVEGCSA-N -1 1 338.396 2.703 20 30 EFEDMM FC(F)(F)c1cc(N=NC2CCCOCC2)ccc1-c1nnn[n-]1 ZINC000826368176 1427144272 /nfs/dbraw/zinc/14/42/72/1427144272.db2.gz FQCYZZBBNXMDKG-UHFFFAOYSA-N -1 1 340.309 2.854 20 30 EFEDMM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1cc(Cl)ccc1C#N ZINC000821573238 1427254423 /nfs/dbraw/zinc/25/44/23/1427254423.db2.gz HAURLVYMMVVDDB-UHFFFAOYSA-N -1 1 344.787 2.730 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826256894 1427274042 /nfs/dbraw/zinc/27/40/42/1427274042.db2.gz FOZGALRXOWIKAZ-UHFFFAOYSA-N -1 1 337.314 2.543 20 30 EFEDMM CSCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821956156 1427284693 /nfs/dbraw/zinc/28/46/93/1427284693.db2.gz IFVAVFSPIDRSQM-UHFFFAOYSA-N -1 1 338.440 2.724 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826384403 1427298209 /nfs/dbraw/zinc/29/82/09/1427298209.db2.gz UBQICCRKTIOMCG-GORDUTHDSA-N -1 1 325.328 2.835 20 30 EFEDMM C=C[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823883401 1427306725 /nfs/dbraw/zinc/30/67/25/1427306725.db2.gz QCMCMDPEPICDCF-ZDUSSCGKSA-N -1 1 348.410 2.907 20 30 EFEDMM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000737080963 1427396081 /nfs/dbraw/zinc/39/60/81/1427396081.db2.gz JOVBYDDXCVPQHQ-FNORWQNLSA-N -1 1 331.335 2.643 20 30 EFEDMM COc1ccc(O)cc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826210119 1427454497 /nfs/dbraw/zinc/45/44/97/1427454497.db2.gz FGNKBBXBKBELPL-UTCJRWHESA-N -1 1 340.314 2.616 20 30 EFEDMM CCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)o1 ZINC000821477083 1427484734 /nfs/dbraw/zinc/48/47/34/1427484734.db2.gz XQERDNLZUJFDFF-GQCTYLIASA-N -1 1 334.339 2.566 20 30 EFEDMM CCCCCCCCNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000825271054 1427685205 /nfs/dbraw/zinc/68/52/05/1427685205.db2.gz GCQQBTNEBHXIIK-UHFFFAOYSA-N -1 1 330.436 2.755 20 30 EFEDMM N#C[C@H](COC(=O)c1sccc1-c1nnn[n-]1)Cc1cccs1 ZINC000826379983 1427908656 /nfs/dbraw/zinc/90/86/56/1427908656.db2.gz JBRZDUQACYCLGM-SECBINFHSA-N -1 1 345.409 2.529 20 30 EFEDMM CC(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000824371803 1427916279 /nfs/dbraw/zinc/91/62/79/1427916279.db2.gz SUNRWVKFGAFVAV-ZZXKWVIFSA-N -1 1 326.335 2.679 20 30 EFEDMM C=CCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735409315 1427949932 /nfs/dbraw/zinc/94/99/32/1427949932.db2.gz YWKSXXHKCVLARO-UHFFFAOYSA-N -1 1 336.355 2.959 20 30 EFEDMM C=CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819751142 1427952573 /nfs/dbraw/zinc/95/25/73/1427952573.db2.gz RRLPYAKGPZZHPW-UHFFFAOYSA-N -1 1 335.367 2.883 20 30 EFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737674587 1427988992 /nfs/dbraw/zinc/98/89/92/1427988992.db2.gz KNMHOIHLKJLAOU-CQSZACIVSA-N -1 1 338.758 2.515 20 30 EFEDMM CC(=O)Nc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000824004646 1428024104 /nfs/dbraw/zinc/02/41/04/1428024104.db2.gz BDUZDKOFEOGKPM-MDZDMXLPSA-N -1 1 333.351 2.721 20 30 EFEDMM CC(=O)Nc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824000039 1428079128 /nfs/dbraw/zinc/07/91/28/1428079128.db2.gz RPKXJNQDRQFWFM-FLIBITNWSA-N -1 1 333.351 2.721 20 30 EFEDMM Fc1cccc(CNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000822787000 1428103884 /nfs/dbraw/zinc/10/38/84/1428103884.db2.gz RRSYVIFNOIVOKC-UHFFFAOYSA-N -1 1 336.374 2.836 20 30 EFEDMM CCc1ccc(C=NOCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000825704665 1428133894 /nfs/dbraw/zinc/13/38/94/1428133894.db2.gz MMJZGKQYVFYJOL-UHFFFAOYSA-N -1 1 337.383 2.988 20 30 EFEDMM CC(C)CCn1cccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824249189 1429978937 /nfs/dbraw/zinc/97/89/37/1429978937.db2.gz JZSYBWSFCOLEGC-UHFFFAOYSA-N -1 1 337.431 2.838 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCC1CCCC1 ZINC000822819497 1430191478 /nfs/dbraw/zinc/19/14/78/1430191478.db2.gz UBJCIZJDKRWOFU-UHFFFAOYSA-N -1 1 329.433 2.778 20 30 EFEDMM Cc1cc(N(C)[C@H](C)CC#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822205903 1441437248 /nfs/dbraw/zinc/43/72/48/1441437248.db2.gz MYUSMSSIUAMNQZ-GFCCVEGCSA-N -1 1 346.398 2.714 20 30 EFEDMM C=C(Br)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735397714 1441463982 /nfs/dbraw/zinc/46/39/82/1441463982.db2.gz CPWMVSCXWPXVAV-UHFFFAOYSA-N -1 1 349.114 2.601 20 30 EFEDMM N#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000737673537 1441468889 /nfs/dbraw/zinc/46/88/89/1441468889.db2.gz BBWXGTQSCUIWRE-NSHDSACASA-N -1 1 344.787 2.576 20 30 EFEDMM CC[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825039766 1441508262 /nfs/dbraw/zinc/50/82/62/1441508262.db2.gz VYUCAWLVLUIIMA-GFCCVEGCSA-N -1 1 332.367 2.566 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(F)cc2O)o1 ZINC000735450896 1441523822 /nfs/dbraw/zinc/52/38/22/1441523822.db2.gz IZIRHJBHHCGAAL-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM CCc1nc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000825745815 1441548877 /nfs/dbraw/zinc/54/88/77/1441548877.db2.gz PPUIOYGONXFPHY-UHFFFAOYSA-N -1 1 333.808 2.985 20 30 EFEDMM C[C@](C#N)(NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000819844379 1441602244 /nfs/dbraw/zinc/60/22/44/1441602244.db2.gz FPNZPFGXYRMFLO-OAHLLOKOSA-N -1 1 330.417 2.521 20 30 EFEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)C1CCOCC1 ZINC000820833180 1441645173 /nfs/dbraw/zinc/64/51/73/1441645173.db2.gz SRXDAYIKCHJEFK-UHFFFAOYSA-N -1 1 347.423 2.757 20 30 EFEDMM Fc1ccccc1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822795447 1441681494 /nfs/dbraw/zinc/68/14/94/1441681494.db2.gz BCMXGTJOSDAMEE-UHFFFAOYSA-N -1 1 336.330 2.809 20 30 EFEDMM C#CCOc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735381768 1441686620 /nfs/dbraw/zinc/68/66/20/1441686620.db2.gz ZNVFRXLBPPWOCY-UHFFFAOYSA-N -1 1 341.321 2.769 20 30 EFEDMM CC[C@@H]1C[C@@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000825183436 1441728533 /nfs/dbraw/zinc/72/85/33/1441728533.db2.gz OQGBFMLJIUGLHX-GXSJLCMTSA-N -1 1 335.799 2.518 20 30 EFEDMM O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000738371873 1441753694 /nfs/dbraw/zinc/75/36/94/1441753694.db2.gz YJZMCHRXHDORRD-UHFFFAOYSA-N -1 1 343.734 2.874 20 30 EFEDMM CC[C@H]1CCC[C@H](C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)C1 ZINC000825195341 1441831535 /nfs/dbraw/zinc/83/15/35/1441831535.db2.gz WGWDTEXKVVWRFN-KBPBESRZSA-N -1 1 328.420 2.696 20 30 EFEDMM C[C@@H](C#N)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735506419 1441834792 /nfs/dbraw/zinc/83/47/92/1441834792.db2.gz WKYARJSEPMSULV-LBPRGKRZSA-N -1 1 348.366 2.548 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(C#N)s2)o1 ZINC000823962101 1441855135 /nfs/dbraw/zinc/85/51/35/1441855135.db2.gz FDXKUDIWLRMLFT-UHFFFAOYSA-N -1 1 342.388 2.747 20 30 EFEDMM C=CCN(C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C1CC1 ZINC000823904095 1441855446 /nfs/dbraw/zinc/85/54/46/1441855446.db2.gz UTHKDSVMSFCYKC-UHFFFAOYSA-N -1 1 342.403 2.836 20 30 EFEDMM CCCCCCCCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825272289 1441875342 /nfs/dbraw/zinc/87/53/42/1441875342.db2.gz ZPDGVYMILIODSF-HNNXBMFYSA-N -1 1 332.404 2.804 20 30 EFEDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401488 1441912273 /nfs/dbraw/zinc/91/22/73/1441912273.db2.gz ZZDRTGSZOHGBAT-PLNGDYQASA-N -1 1 327.325 2.733 20 30 EFEDMM N#Cc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(F)c1 ZINC000737717254 1441925168 /nfs/dbraw/zinc/92/51/68/1441925168.db2.gz BKWDOIZQHRTMAV-UHFFFAOYSA-N -1 1 345.341 2.789 20 30 EFEDMM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403072 1441950271 /nfs/dbraw/zinc/95/02/71/1441950271.db2.gz JDQUKOQDHGNZEA-FNORWQNLSA-N -1 1 334.314 2.550 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cnc12 ZINC000826308429 1441982095 /nfs/dbraw/zinc/98/20/95/1441982095.db2.gz YZAVVQITHZIBBO-ALCCZGGFSA-N -1 1 348.341 2.858 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C1CC1)C1CC1 ZINC000823909490 1442013444 /nfs/dbraw/zinc/01/34/44/1442013444.db2.gz GGBNMHSHNGFTPC-UHFFFAOYSA-N -1 1 337.427 2.818 20 30 EFEDMM COc1ccc2c(c1)OC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000821850012 1442022569 /nfs/dbraw/zinc/02/25/69/1442022569.db2.gz UZOJNELBDUSGAT-AWNIVKPZSA-N -1 1 326.337 2.553 20 30 EFEDMM CCO[C@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000736618555 1442023384 /nfs/dbraw/zinc/02/33/84/1442023384.db2.gz VELMZHCQPDUZKN-NSHDSACASA-N -1 1 347.423 2.656 20 30 EFEDMM O=C1C(=Cc2cnc3ccccn23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503359 1442035437 /nfs/dbraw/zinc/03/54/37/1442035437.db2.gz DNLDVKIIAICJLV-RAXLEYEMSA-N -1 1 342.362 2.727 20 30 EFEDMM C[C@@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824385385 1442040946 /nfs/dbraw/zinc/04/09/46/1442040946.db2.gz RVWNCHUHDYGBAN-LBPRGKRZSA-N -1 1 348.366 2.691 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(SCCCc2ccsc2)nc1N ZINC000826383534 1442063463 /nfs/dbraw/zinc/06/34/63/1442063463.db2.gz FSVVCQHKFVDCEG-UHFFFAOYSA-N -1 1 343.441 2.502 20 30 EFEDMM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1O ZINC000821703228 1442098198 /nfs/dbraw/zinc/09/81/98/1442098198.db2.gz VKDBDWGUABMZAF-XQRVVYSFSA-N -1 1 340.314 2.616 20 30 EFEDMM C=CCCO[C@H](C)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000735416399 1442105671 /nfs/dbraw/zinc/10/56/71/1442105671.db2.gz IMJGEAZIEYWSIF-SECBINFHSA-N -1 1 335.433 2.719 20 30 EFEDMM CCN(C(=O)C#Cc1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147012 1442140899 /nfs/dbraw/zinc/14/08/99/1442140899.db2.gz CVCHUMQRUILLBA-OAHLLOKOSA-N -1 1 345.406 2.828 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1-c1nnn[n-]1 ZINC000737720169 1442172130 /nfs/dbraw/zinc/17/21/30/1442172130.db2.gz ZBQFWTARGBOKAM-UHFFFAOYSA-N -1 1 344.378 2.869 20 30 EFEDMM CCOc1cc(C#N)ccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825615817 1442229372 /nfs/dbraw/zinc/22/93/72/1442229372.db2.gz LYUFFVRGQANLLX-UHFFFAOYSA-N -1 1 349.350 2.665 20 30 EFEDMM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820893361 1442269594 /nfs/dbraw/zinc/26/95/94/1442269594.db2.gz OLKSJTKGGXNMGR-UHFFFAOYSA-N -1 1 332.433 2.720 20 30 EFEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1coc(-c2ccccc2)n1 ZINC000823868400 1442303314 /nfs/dbraw/zinc/30/33/14/1442303314.db2.gz ZPKQZKQBQCHQCK-UHFFFAOYSA-N -1 1 331.339 2.968 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2[C@@H]3CCCO[C@H]3C2(C)C)o1 ZINC000820198002 1442379281 /nfs/dbraw/zinc/37/92/81/1442379281.db2.gz QLRSTGLGQLVAAK-JOYOIKCWSA-N -1 1 345.407 2.581 20 30 EFEDMM C=CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735410098 1442442296 /nfs/dbraw/zinc/44/22/96/1442442296.db2.gz UFGAEOGXIGDQHS-OAHLLOKOSA-N -1 1 335.371 2.701 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2[C@H]3CCCO[C@@H]3C2(C)C)o1 ZINC000820198004 1442479860 /nfs/dbraw/zinc/47/98/60/1442479860.db2.gz QLRSTGLGQLVAAK-SKDRFNHKSA-N -1 1 345.407 2.581 20 30 EFEDMM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826266092 1443089724 /nfs/dbraw/zinc/08/97/24/1443089724.db2.gz BITLOTMULYLVHQ-UHFFFAOYSA-N -1 1 326.791 2.952 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000736676401 1443095058 /nfs/dbraw/zinc/09/50/58/1443095058.db2.gz UFGJXSSLWFCPKP-UHFFFAOYSA-N -1 1 338.396 2.923 20 30 EFEDMM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737807777 1443109476 /nfs/dbraw/zinc/10/94/76/1443109476.db2.gz MQHLCTBOHJECFR-AATRIKPKSA-N -1 1 348.288 2.522 20 30 EFEDMM FC(F)(F)c1csc(N=NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822729245 1443135769 /nfs/dbraw/zinc/13/57/69/1443135769.db2.gz XPVPPQJVVSGTPA-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000821850135 1443162826 /nfs/dbraw/zinc/16/28/26/1443162826.db2.gz XBSBKUREVMKRAM-GXDHUFHOSA-N -1 1 348.362 2.924 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc3ccccc3n2)o1 ZINC000819782852 1443209449 /nfs/dbraw/zinc/20/94/49/1443209449.db2.gz QLCWMCYHWINSBV-UHFFFAOYSA-N -1 1 334.343 2.547 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000821566702 1443258070 /nfs/dbraw/zinc/25/80/70/1443258070.db2.gz QEKVFFOSDNYGMM-ALCCZGGFSA-N -1 1 328.401 2.658 20 30 EFEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(F)cc1F ZINC000822176995 1443344179 /nfs/dbraw/zinc/34/41/79/1443344179.db2.gz RASQBZSCIBJEGL-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824034132 1443421867 /nfs/dbraw/zinc/42/18/67/1443421867.db2.gz HICJOUPWIHJDQK-LLVKDONJSA-N -1 1 349.354 2.802 20 30 EFEDMM C=C[C@@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823882687 1443479287 /nfs/dbraw/zinc/47/92/87/1443479287.db2.gz BOLFIBDGAUQNLI-WFASDCNBSA-N -1 1 330.388 2.778 20 30 EFEDMM Cc1ccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000822274756 1443484458 /nfs/dbraw/zinc/48/44/58/1443484458.db2.gz IJIUACDZJSMETE-UHFFFAOYSA-N -1 1 331.383 2.780 20 30 EFEDMM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962908 1443502792 /nfs/dbraw/zinc/50/27/92/1443502792.db2.gz RGUSRWXSWUFLNK-UHFFFAOYSA-N -1 1 341.306 2.750 20 30 EFEDMM N#Cc1cc(Cl)ccc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826383949 1443567090 /nfs/dbraw/zinc/56/70/90/1443567090.db2.gz YZHZJYYYRJSMGS-UHFFFAOYSA-N -1 1 339.742 2.749 20 30 EFEDMM N#Cc1ccccc1NC(=S)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737727263 1443578019 /nfs/dbraw/zinc/57/80/19/1443578019.db2.gz IBBGUOFHRQQLLM-UHFFFAOYSA-N -1 1 339.359 2.686 20 30 EFEDMM CCN(CC#N)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825395583 1443602451 /nfs/dbraw/zinc/60/24/51/1443602451.db2.gz RVKHJFIPNAAHKF-UHFFFAOYSA-N -1 1 348.410 2.791 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1O ZINC000826190649 1443618089 /nfs/dbraw/zinc/61/80/89/1443618089.db2.gz IHHXUBPCJDPRSB-QHHAFSJGSA-N -1 1 340.314 2.616 20 30 EFEDMM C=CCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735436868 1443623322 /nfs/dbraw/zinc/62/33/22/1443623322.db2.gz SDKBGWHDSFIZHS-UHFFFAOYSA-N -1 1 346.350 2.555 20 30 EFEDMM C[C@@H](OC(=O)Cc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155036 1443638671 /nfs/dbraw/zinc/63/86/71/1443638671.db2.gz GCQZBAQIJWJUPB-GFCCVEGCSA-N -1 1 333.351 2.585 20 30 EFEDMM COc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826221771 1443656612 /nfs/dbraw/zinc/65/66/12/1443656612.db2.gz UGKMMGOVRYMFLX-PLNGDYQASA-N -1 1 330.344 2.972 20 30 EFEDMM COc1ccc(O)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821839543 1443686776 /nfs/dbraw/zinc/68/67/76/1443686776.db2.gz WDUNYASBTPNRQJ-ZZXKWVIFSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C#N ZINC000826190947 1443693647 /nfs/dbraw/zinc/69/36/47/1443693647.db2.gz RNEUOCGATGYVPT-RQOWECAXSA-N -1 1 337.364 2.705 20 30 EFEDMM CCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000825735390 1443719910 /nfs/dbraw/zinc/71/99/10/1443719910.db2.gz RWYJJNXQZDUTEU-AATRIKPKSA-N -1 1 329.360 2.921 20 30 EFEDMM C=CCc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)c(OC)c1 ZINC000819758934 1443741286 /nfs/dbraw/zinc/74/12/86/1443741286.db2.gz JOQHSHQJACUILM-UHFFFAOYSA-N -1 1 342.380 2.885 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2n1 ZINC000819772254 1443748308 /nfs/dbraw/zinc/74/83/08/1443748308.db2.gz BLCIHPYMIARKJY-UHFFFAOYSA-N -1 1 343.394 2.929 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C#N ZINC000826385730 1443798762 /nfs/dbraw/zinc/79/87/62/1443798762.db2.gz YFJQVIAQLCSYHU-UHFFFAOYSA-N -1 1 349.741 2.516 20 30 EFEDMM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823953767 1443802624 /nfs/dbraw/zinc/80/26/24/1443802624.db2.gz POSJUVVRBZYHGU-UHFFFAOYSA-N -1 1 334.355 2.720 20 30 EFEDMM Cc1cc(C)cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826264643 1443833923 /nfs/dbraw/zinc/83/39/23/1443833923.db2.gz VFPSCWSOBVXGML-UHFFFAOYSA-N -1 1 327.779 2.978 20 30 EFEDMM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402766 1443878271 /nfs/dbraw/zinc/87/82/71/1443878271.db2.gz BKBXBADLZXASKZ-XQRVVYSFSA-N -1 1 329.722 2.950 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc3c(c2)CCO3)cc1-c1nnn[n-]1 ZINC000737080504 1443978885 /nfs/dbraw/zinc/97/88/85/1443978885.db2.gz BXPFHGIDKQQMMP-DJWKRKHSSA-N -1 1 348.362 2.706 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1-c1nn[n-]n1 ZINC000737718620 1443983122 /nfs/dbraw/zinc/98/31/22/1443983122.db2.gz KZDLVQBPHGFUFG-UHFFFAOYSA-N -1 1 341.334 2.539 20 30 EFEDMM C[C@](C#N)(NC(=O)c1sccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735503579 1444016953 /nfs/dbraw/zinc/01/69/53/1444016953.db2.gz JTQQOBPJBPWMSO-OAHLLOKOSA-N -1 1 330.417 2.521 20 30 EFEDMM C[C@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137877 1446080006 /nfs/dbraw/zinc/08/00/06/1446080006.db2.gz MMPDFIHEASSKJL-VIFPVBQESA-N -1 1 325.763 2.960 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826190762 1446219321 /nfs/dbraw/zinc/21/93/21/1446219321.db2.gz MKLXVBVCPLQJFR-DUXPYHPUSA-N -1 1 330.344 2.972 20 30 EFEDMM N#Cc1ccc(F)c(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822829641 1446271817 /nfs/dbraw/zinc/27/18/17/1446271817.db2.gz BIXZERPDFJLINN-UHFFFAOYSA-N -1 1 330.273 2.768 20 30 EFEDMM N#Cc1ccc2c(c1)CCC(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000822837799 1446291924 /nfs/dbraw/zinc/29/19/24/1446291924.db2.gz TVPHLFKJONNZQB-NVNXTCNLSA-N -1 1 327.347 2.951 20 30 EFEDMM C#Cc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819710196 1446331747 /nfs/dbraw/zinc/33/17/47/1446331747.db2.gz YXYZWPBDJDCKSI-UHFFFAOYSA-N -1 1 347.378 2.644 20 30 EFEDMM COc1ccc(C=C2CCc3c(O)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000821786577 1446396201 /nfs/dbraw/zinc/39/62/01/1446396201.db2.gz FQIDPWJLVDUEAY-XFXZXTDPSA-N -1 1 348.362 2.793 20 30 EFEDMM CC#CCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823937105 1446421363 /nfs/dbraw/zinc/42/13/63/1446421363.db2.gz IECHTCSAGWGQPI-UHFFFAOYSA-N -1 1 331.379 2.677 20 30 EFEDMM N#Cc1ccc([C@@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826385104 1446517735 /nfs/dbraw/zinc/51/77/35/1446517735.db2.gz XNZIBUQUZLETNX-AWEZNQCLSA-N -1 1 341.758 2.504 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823894247 1446522410 /nfs/dbraw/zinc/52/24/10/1446522410.db2.gz LJVBTIZBAXGSHC-LLVKDONJSA-N -1 1 332.383 2.550 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822837405 1446535867 /nfs/dbraw/zinc/53/58/67/1446535867.db2.gz NJIILIZDUDAHSF-YVMONPNESA-N -1 1 349.325 2.634 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735561481 1446549723 /nfs/dbraw/zinc/54/97/23/1446549723.db2.gz ZBIBLXFADCRNMC-SNVBAGLBSA-N -1 1 336.330 2.620 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819689095 1446561092 /nfs/dbraw/zinc/56/10/92/1446561092.db2.gz UHGBMVALLQRTMO-CYBMUJFWSA-N -1 1 348.362 2.624 20 30 EFEDMM Cc1sc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C#N)c1C ZINC000822563490 1446653218 /nfs/dbraw/zinc/65/32/18/1446653218.db2.gz KZXYSVNAKJXOIR-UHFFFAOYSA-N -1 1 330.398 2.731 20 30 EFEDMM N#Cc1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826387590 1446681355 /nfs/dbraw/zinc/68/13/55/1446681355.db2.gz FBZJRNBBXATJDY-DUXPYHPUSA-N -1 1 325.328 2.835 20 30 EFEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cnc([C@H]2CCCO2)s1 ZINC000823861435 1446884646 /nfs/dbraw/zinc/88/46/46/1446884646.db2.gz IPUMJCXNKPZKOE-CYBMUJFWSA-N -1 1 341.400 2.621 20 30 EFEDMM Cc1cc(C#N)cc(C)c1OCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737232208 1446903075 /nfs/dbraw/zinc/90/30/75/1446903075.db2.gz ZAFJKXRXJYAAJJ-UHFFFAOYSA-N -1 1 335.367 2.813 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000735399821 1446904757 /nfs/dbraw/zinc/90/47/57/1446904757.db2.gz WLPBEVKILZNKEX-GFCCVEGCSA-N -1 1 331.445 2.772 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894596 1446904780 /nfs/dbraw/zinc/90/47/80/1446904780.db2.gz UNTKDRFGIHMGJK-QWHCGFSZSA-N -1 1 328.420 2.972 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CC(c3cccc(F)c3)C2)o1 ZINC000826322752 1446922767 /nfs/dbraw/zinc/92/27/67/1446922767.db2.gz AKWMBISDBJEZNT-UHFFFAOYSA-N -1 1 327.323 2.648 20 30 EFEDMM Cc1cccc(C)c1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737390980 1446926908 /nfs/dbraw/zinc/92/69/08/1446926908.db2.gz VIPXHVGLIFQCFD-UHFFFAOYSA-N -1 1 337.412 2.625 20 30 EFEDMM N#Cc1nccnc1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826388284 1446936087 /nfs/dbraw/zinc/93/60/87/1446936087.db2.gz QFIGYRAAZGUETE-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822818515 1446994236 /nfs/dbraw/zinc/99/42/36/1446994236.db2.gz BDGMZDATVMVFOY-SOFGYWHQSA-N -1 1 349.325 2.634 20 30 EFEDMM CC(C)(C)CN(CCC#N)CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735603060 1447019218 /nfs/dbraw/zinc/01/92/18/1447019218.db2.gz WFSGCZFEAGLFNX-UHFFFAOYSA-N -1 1 328.420 2.507 20 30 EFEDMM C=C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000819730051 1447026584 /nfs/dbraw/zinc/02/65/84/1447026584.db2.gz QZPIAVQFBWANJT-NSHDSACASA-N -1 1 336.399 2.579 20 30 EFEDMM Cn1cccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737611032 1447187266 /nfs/dbraw/zinc/18/72/66/1447187266.db2.gz AGVLTUDWADNHBC-UHFFFAOYSA-N -1 1 335.293 2.670 20 30 EFEDMM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737704471 1447274661 /nfs/dbraw/zinc/27/46/61/1447274661.db2.gz JAQLNQRNTSWJJQ-CVEARBPZSA-N -1 1 348.341 2.620 20 30 EFEDMM CN(Cc1cccc(-c2nn[n-]n2)c1)c1cc(C#N)nc2ccccc21 ZINC000736822728 1447278628 /nfs/dbraw/zinc/27/86/28/1447278628.db2.gz RRJJPNQURQWFEO-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823504848 1449240705 /nfs/dbraw/zinc/24/07/05/1449240705.db2.gz VIHNRCVHGXOSAU-MDWZMJQESA-N -1 1 347.334 2.987 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cncc(F)c1 ZINC000823958112 1449246285 /nfs/dbraw/zinc/24/62/85/1449246285.db2.gz CJAAXFSUFYLHEJ-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccc(F)cc1 ZINC000822934648 1449486632 /nfs/dbraw/zinc/48/66/32/1449486632.db2.gz ATOUTJIFJUOMTL-XFXZXTDPSA-N -1 1 348.337 2.614 20 30 EFEDMM C[C@@H](OC(=O)c1ccccc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513108 1449588042 /nfs/dbraw/zinc/58/80/42/1449588042.db2.gz UXLNMSODQZVAFY-GFCCVEGCSA-N -1 1 349.350 2.687 20 30 EFEDMM N#CCOc1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000737697009 1449700003 /nfs/dbraw/zinc/70/00/03/1449700003.db2.gz BQOTVMBOUXTYKM-UHFFFAOYSA-N -1 1 342.309 2.659 20 30 EFEDMM N#Cc1cccc(OCCCNc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822837913 1449756521 /nfs/dbraw/zinc/75/65/21/1449756521.db2.gz YHKFKQRNNVORBG-UHFFFAOYSA-N -1 1 338.346 2.758 20 30 EFEDMM C=CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCC)CC1 ZINC000735403027 1449844278 /nfs/dbraw/zinc/84/42/78/1449844278.db2.gz NZXQMVFDVTUWTB-UHFFFAOYSA-N -1 1 342.403 2.695 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2c3ccccc3C[C@@H]2C)o1 ZINC000820814186 1449862546 /nfs/dbraw/zinc/86/25/46/1449862546.db2.gz SJMBWMFLIHFHQN-JTQLQIEISA-N -1 1 337.387 2.987 20 30 EFEDMM N#Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822818516 1450008111 /nfs/dbraw/zinc/00/81/11/1450008111.db2.gz BDGMZDATVMVFOY-VURMDHGXSA-N -1 1 349.325 2.634 20 30 EFEDMM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)CCc2ccccc21 ZINC000738289107 1450034431 /nfs/dbraw/zinc/03/44/31/1450034431.db2.gz GPQQQEMLOCUNGL-UKTHLTGXSA-N -1 1 342.362 2.727 20 30 EFEDMM C[C@@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820322448 1450046226 /nfs/dbraw/zinc/04/62/26/1450046226.db2.gz STIKCSNMJJTCEI-ASCRHOAZSA-N -1 1 344.378 2.629 20 30 EFEDMM Fc1ccccc1C=NOCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822795898 1450072815 /nfs/dbraw/zinc/07/28/15/1450072815.db2.gz IYHRSQWRVDJCLT-UHFFFAOYSA-N -1 1 341.346 2.825 20 30 EFEDMM CCN(CC)c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821198816 1450196638 /nfs/dbraw/zinc/19/66/38/1450196638.db2.gz WMLWWQHCAUFVAY-UHFFFAOYSA-N -1 1 349.442 2.837 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=C1COc2ccc(F)cc21 ZINC000823498210 1450200066 /nfs/dbraw/zinc/20/00/66/1450200066.db2.gz HEQFQSAFEUBACR-JQIJEIRASA-N -1 1 348.337 2.981 20 30 EFEDMM C[C@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736118059 1450219210 /nfs/dbraw/zinc/21/92/10/1450219210.db2.gz RVMARWAIJAISJY-VIFPVBQESA-N -1 1 339.384 2.683 20 30 EFEDMM C=CC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735410054 1450252485 /nfs/dbraw/zinc/25/24/85/1450252485.db2.gz SIHQZRUBETYXAS-QMMMGPOBSA-N -1 1 338.318 2.554 20 30 EFEDMM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826403208 1450268759 /nfs/dbraw/zinc/26/87/59/1450268759.db2.gz MLNCCXTUJLMVIJ-SOFGYWHQSA-N -1 1 339.286 2.810 20 30 EFEDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(C#N)cc1 ZINC000822335299 1450329320 /nfs/dbraw/zinc/32/93/20/1450329320.db2.gz JQVQDIVNPRACTB-UHFFFAOYSA-N -1 1 341.378 2.629 20 30 EFEDMM CC(C)(C#N)CCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000824059495 1450363402 /nfs/dbraw/zinc/36/34/02/1450363402.db2.gz YHIMNYMJUIIAON-UHFFFAOYSA-N -1 1 343.387 2.507 20 30 EFEDMM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)cc3)nc21 ZINC000737410120 1450375169 /nfs/dbraw/zinc/37/51/69/1450375169.db2.gz VCXRHQCLMCRSGX-CYBMUJFWSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)cc3)[nH]c21 ZINC000737410120 1450375175 /nfs/dbraw/zinc/37/51/75/1450375175.db2.gz VCXRHQCLMCRSGX-CYBMUJFWSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)cc3)[nH]c21 ZINC000737410120 1450375180 /nfs/dbraw/zinc/37/51/80/1450375180.db2.gz VCXRHQCLMCRSGX-CYBMUJFWSA-N -1 1 343.350 2.542 20 30 EFEDMM C=CCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823894935 1450438345 /nfs/dbraw/zinc/43/83/45/1450438345.db2.gz ZVUOJOPTJLFSIF-UHFFFAOYSA-N -1 1 336.739 2.723 20 30 EFEDMM C=CCOc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000819759365 1450439553 /nfs/dbraw/zinc/43/95/53/1450439553.db2.gz VIMRNINQGQQABY-UHFFFAOYSA-N -1 1 335.367 2.708 20 30 EFEDMM C=C[C@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883723 1450445259 /nfs/dbraw/zinc/44/52/59/1450445259.db2.gz ZAZDEUYCKFARNG-CQSZACIVSA-N -1 1 335.367 2.665 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826382061 1450447973 /nfs/dbraw/zinc/44/79/73/1450447973.db2.gz MTFFDHLCJZSDJA-DAXSKMNVSA-N -1 1 349.325 2.804 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OC(F)(F)F)c2)c(=O)o1 ZINC000254985862 713206988 /nfs/dbraw/zinc/20/69/88/713206988.db2.gz DTZXDBBHUPCCEM-GEXIGZQTSA-N -1 1 340.253 2.813 20 30 EFEDMM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891615405 714857804 /nfs/dbraw/zinc/85/78/04/714857804.db2.gz QSDVMMZVJMDVFL-LSDHHAIUSA-N -1 1 334.379 2.675 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Br)cs2)c(=O)o1 ZINC000255496027 715356428 /nfs/dbraw/zinc/35/64/28/715356428.db2.gz FTMLDOQJJCIYQQ-ZZKXABKFSA-N -1 1 341.182 2.739 20 30 EFEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000255560755 715931488 /nfs/dbraw/zinc/93/14/88/715931488.db2.gz PPQAQTMXFXABJO-XVWMLYKFSA-N -1 1 336.290 2.825 20 30 EFEDMM C=CCN(CC(=O)OCC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177058318 717453403 /nfs/dbraw/zinc/45/34/03/717453403.db2.gz RYJGRKSRDDGNII-UHFFFAOYSA-N -1 1 325.792 2.799 20 30 EFEDMM C[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000023417629 718166726 /nfs/dbraw/zinc/16/67/26/718166726.db2.gz MHIRMPNDBFAOGD-LBPRGKRZSA-N -1 1 330.365 2.556 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OC(F)(F)F)c2)c(=O)o1 ZINC000038477041 718956123 /nfs/dbraw/zinc/95/61/23/718956123.db2.gz DTZXDBBHUPCCEM-GJBLVYBDSA-N -1 1 340.253 2.813 20 30 EFEDMM CCOc1cc(C#N)ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000122721845 719718760 /nfs/dbraw/zinc/71/87/60/719718760.db2.gz CKTGLCLQMDLUAU-UHFFFAOYSA-N -1 1 335.385 2.571 20 30 EFEDMM CCOc1cc(C#N)ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000122721845 719718764 /nfs/dbraw/zinc/71/87/64/719718764.db2.gz CKTGLCLQMDLUAU-UHFFFAOYSA-N -1 1 335.385 2.571 20 30 EFEDMM CC(C)CCN1c2ccccc2C(=N[N-]c2ncnc3[nH]cnc32)C1=O ZINC000917555500 728759279 /nfs/dbraw/zinc/75/92/79/728759279.db2.gz SQBZXCJTFFCWEZ-UHFFFAOYSA-N -1 1 349.398 2.562 20 30 EFEDMM COc1cc(C=NN=c2[nH]c3ccccc3n2C)cc([N+](=O)[O-])c1[O-] ZINC000728775744 724166279 /nfs/dbraw/zinc/16/62/79/724166279.db2.gz AZPUGGKABGYKBH-UHFFFAOYSA-N -1 1 341.327 2.642 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc([N+](=O)[O-])c1F ZINC000154229734 725511437 /nfs/dbraw/zinc/51/14/37/725511437.db2.gz IDVCOVIWLXBEAR-UHFFFAOYSA-N -1 1 335.316 2.715 20 30 EFEDMM O=c1nc(NN=Cc2ccccc2-c2ccccc2)nc2[nH][n-]cc1-2 ZINC000731155258 726813309 /nfs/dbraw/zinc/81/33/09/726813309.db2.gz VUQUTPGDMXUEPM-UHFFFAOYSA-N -1 1 330.351 2.545 20 30 EFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000130413148 727215685 /nfs/dbraw/zinc/21/56/85/727215685.db2.gz SXNCDDOETNJNAZ-CQSZACIVSA-N -1 1 340.335 2.726 20 30 EFEDMM C=CCC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[O-] ZINC000909712067 727366173 /nfs/dbraw/zinc/36/61/73/727366173.db2.gz GQEWCWVBUUMIJN-IAGOWNOFSA-N -1 1 330.428 2.577 20 30 EFEDMM C=CCC[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000909712067 727366175 /nfs/dbraw/zinc/36/61/75/727366175.db2.gz GQEWCWVBUUMIJN-IAGOWNOFSA-N -1 1 330.428 2.577 20 30 EFEDMM C=CCN1CC[C@@H](OC(=O)c2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000909861473 727392584 /nfs/dbraw/zinc/39/25/84/727392584.db2.gz YZGBJTHQKFUPRO-LLVKDONJSA-N -1 1 330.167 2.643 20 30 EFEDMM C=CCN1c2ccccc2C(=N[N-]c2nncc3ccccc32)C1=O ZINC000915914428 727639583 /nfs/dbraw/zinc/63/95/83/727639583.db2.gz OGQJOVCLHNDRJI-UHFFFAOYSA-N -1 1 329.363 2.979 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(OCc3ccccn3)c2)n1 ZINC000915931732 727641593 /nfs/dbraw/zinc/64/15/93/727641593.db2.gz GAQUKHJVHLLWTQ-UHFFFAOYSA-N -1 1 335.367 2.911 20 30 EFEDMM Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)n1Cc1ccco1 ZINC000916241499 727668739 /nfs/dbraw/zinc/66/87/39/727668739.db2.gz GPGHLPMTVPTFMW-UHFFFAOYSA-N -1 1 325.372 2.996 20 30 EFEDMM CCOc1c(Cl)cc(C=NNc2nc(C)cc(=O)[n-]2)cc1OC ZINC000916241547 727670246 /nfs/dbraw/zinc/67/02/46/727670246.db2.gz KBAQZVSIGWOOAF-UHFFFAOYSA-N -1 1 336.779 2.997 20 30 EFEDMM Cc1nn(Cc2ccccc2)c(C)c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000916241928 727670416 /nfs/dbraw/zinc/67/04/16/727670416.db2.gz NYJXKPMHQVYWNX-UHFFFAOYSA-N -1 1 336.399 2.798 20 30 EFEDMM O=C(/C=C/c1ccc(N2CCOCC2)c(F)c1)c1cc(O)ccc1[O-] ZINC000156645520 727943364 /nfs/dbraw/zinc/94/33/64/727943364.db2.gz PBNICJNEGUXCMT-GORDUTHDSA-N -1 1 343.354 2.970 20 30 EFEDMM COc1ccc(C(=O)[N-]C(=O)CSc2ccccc2C#N)cc1 ZINC000172680742 728601787 /nfs/dbraw/zinc/60/17/87/728601787.db2.gz BPEAAHYZMCTXCG-UHFFFAOYSA-N -1 1 326.377 2.616 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(C)c2)c(=O)o1 ZINC000173956319 728642847 /nfs/dbraw/zinc/64/28/47/728642847.db2.gz DIZRHGQAXXXNND-DRDHIDPGSA-N -1 1 349.180 2.986 20 30 EFEDMM C[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(Cl)c2)C1=O ZINC000921256200 729279422 /nfs/dbraw/zinc/27/94/22/729279422.db2.gz JSVDCDUIHWPLJE-QGZVFWFLSA-N -1 1 343.770 2.847 20 30 EFEDMM N#C[C@@H](C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001601047768 970923319 /nfs/dbraw/zinc/92/33/19/970923319.db2.gz XRBCENQBYUOORT-ZDUSSCGKSA-N -1 1 336.303 2.781 20 30 EFEDMM N#CC(C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001601047768 970923321 /nfs/dbraw/zinc/92/33/21/970923321.db2.gz XRBCENQBYUOORT-ZDUSSCGKSA-N -1 1 336.303 2.781 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CCCC3)s2)o1 ZINC000822424148 946085737 /nfs/dbraw/zinc/08/57/37/946085737.db2.gz SDAGOAQQEIUCGE-UHFFFAOYSA-N -1 1 344.404 2.723 20 30 EFEDMM C#Cc1cccc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC001602707533 971345818 /nfs/dbraw/zinc/34/58/18/971345818.db2.gz ZUDGTJVRXBJDKQ-KRWDZBQOSA-N -1 1 338.407 2.852 20 30 EFEDMM CC(C)c1ccc(CSc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001574416751 948759470 /nfs/dbraw/zinc/75/94/70/948759470.db2.gz GINFWYKKAJPRQI-UHFFFAOYSA-N -1 1 337.412 2.944 20 30 EFEDMM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(C)(C(=O)[O-])CC1 ZINC001602786020 971530692 /nfs/dbraw/zinc/53/06/92/971530692.db2.gz BOTONXBHAATMHO-HNNXBMFYSA-N -1 1 343.427 2.508 20 30 EFEDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(C#N)ccc2Br)C1 ZINC001589280937 953511770 /nfs/dbraw/zinc/51/17/70/953511770.db2.gz OKLRVHNWBGXNTM-ZWNOBZJWSA-N -1 1 337.217 2.863 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001589352879 954094556 /nfs/dbraw/zinc/09/45/56/954094556.db2.gz IWOXXQKAADKILY-JTNHKYCSSA-N -1 1 349.818 2.581 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1Cl ZINC000126033310 958578401 /nfs/dbraw/zinc/57/84/01/958578401.db2.gz MTHUPFRZTKOKOE-UHFFFAOYSA-N -1 1 342.785 2.772 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588558023 959075603 /nfs/dbraw/zinc/07/56/03/959075603.db2.gz OAYCIFXYOPAMME-VXGBXAGGSA-N -1 1 349.818 2.725 20 30 EFEDMM CC[C@@H](Sc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1)C(=O)[O-] ZINC001609938625 970611470 /nfs/dbraw/zinc/61/14/70/970611470.db2.gz GLFWUOCVDKZPNO-GFCCVEGCSA-N -1 1 345.380 2.685 20 30 EFEDMM C[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@H]1C(=O)[O-] ZINC001603460769 973294322 /nfs/dbraw/zinc/29/43/22/973294322.db2.gz JOGBARQWXVYWPM-ZWNOBZJWSA-N -1 1 337.217 2.863 20 30 EFEDMM CCC1CCC(NCC(=O)Nc2sccc2C#N)(C(=O)[O-])CC1 ZINC000829108316 978993634 /nfs/dbraw/zinc/99/36/34/978993634.db2.gz XSPJDEGJPJFCET-UHFFFAOYSA-N -1 1 335.429 2.571 20 30 EFEDMM C=CCOc1c(Cl)cc(CN2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000901488456 980312151 /nfs/dbraw/zinc/31/21/51/980312151.db2.gz GMPBUCHAKMETGX-LBPRGKRZSA-N -1 1 325.792 2.820 20 30 EFEDMM C=CCOC[C@@H](NCc1c(Cl)cc(Cl)cc1N(C)C)C(=O)[O-] ZINC000901808417 980529632 /nfs/dbraw/zinc/52/96/32/980529632.db2.gz FHSFHSHKIDGFSO-CYBMUJFWSA-N -1 1 347.242 2.805 20 30 EFEDMM C=CCOC[C@H](NCc1ccc(-c2scnc2C)cc1)C(=O)[O-] ZINC000901808794 980530156 /nfs/dbraw/zinc/53/01/56/980530156.db2.gz LPNCZCHPHZFSJC-HNNXBMFYSA-N -1 1 332.425 2.864 20 30 EFEDMM C#C[C@H](NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(Br)cc1 ZINC001588377371 983356343 /nfs/dbraw/zinc/35/63/43/983356343.db2.gz LAJHWPYCNIHJKI-WOPDTQHZSA-N -1 1 344.155 2.679 20 30 EFEDMM C#CC[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C1 ZINC001588434979 983474025 /nfs/dbraw/zinc/47/40/25/983474025.db2.gz YSHWKNNJBXBYOO-GFCCVEGCSA-N -1 1 346.452 2.609 20 30 EFEDMM C#CCOc1ccccc1CN[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001588504400 983547522 /nfs/dbraw/zinc/54/75/22/983547522.db2.gz WEZHJLHTWWYOSR-SFHVURJKSA-N -1 1 325.364 2.623 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588563300 983644530 /nfs/dbraw/zinc/64/45/30/983644530.db2.gz QRZYTNWHXIWKJT-CQSZACIVSA-N -1 1 330.428 2.556 20 30 EFEDMM C=CC[C@@H](C(=O)[O-])N1CCc2c(F)cc(Br)cc2C1 ZINC001588731547 984009286 /nfs/dbraw/zinc/00/92/86/984009286.db2.gz JNVNYZMDTGNOFI-ZDUSSCGKSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCOC[C@H](NCc1cccc(Cl)c1Br)C(=O)[O-] ZINC001588865996 984422005 /nfs/dbraw/zinc/42/20/05/984422005.db2.gz HTNIWZXPYALKCW-NSHDSACASA-N -1 1 348.624 2.848 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001588879807 984459496 /nfs/dbraw/zinc/45/94/96/984459496.db2.gz QEFKRDKNFNPDLY-QWHCGFSZSA-N -1 1 334.441 2.698 20 30 EFEDMM CC(C)(C)[C@H](CC(=O)[O-])NCc1nnc(-c2cccc(C#N)c2)o1 ZINC001589710553 987835474 /nfs/dbraw/zinc/83/54/74/987835474.db2.gz RSZFHEKFAHGZIT-ZDUSSCGKSA-N -1 1 328.372 2.587 20 30 EFEDMM C[C@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)N(C)C ZINC001599885090 989542535 /nfs/dbraw/zinc/54/25/35/989542535.db2.gz DZYGPQXZEBACHV-CQSZACIVSA-N -1 1 336.391 2.673 20 30 EFEDMM COc1nsc(CNCc2ccc(SC)c(C#N)c2)c1C(=O)[O-] ZINC001599742487 991880110 /nfs/dbraw/zinc/88/01/10/991880110.db2.gz PFCCDQURQINFEL-UHFFFAOYSA-N -1 1 349.437 2.733 20 30 EFEDMM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccc(C#N)cc2OC)c1 ZINC001599648928 994466124 /nfs/dbraw/zinc/46/61/24/994466124.db2.gz APMLPUMLTOPNOW-SFHVURJKSA-N -1 1 340.379 2.833 20 30 EFEDMM C[C@@H](c1ccccc1)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001593714098 996227834 /nfs/dbraw/zinc/22/78/34/996227834.db2.gz STIBDAFOSKCVIE-AWEZNQCLSA-N -1 1 336.395 2.535 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599476516 998540945 /nfs/dbraw/zinc/54/09/45/998540945.db2.gz CZOBCILQVIDXDO-KRWDZBQOSA-N -1 1 328.343 2.930 20 30 EFEDMM COC(=O)c1cccc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C#N ZINC001598994724 998768862 /nfs/dbraw/zinc/76/88/62/998768862.db2.gz CLXGQJODLFFCIV-CQSZACIVSA-N -1 1 344.411 2.668 20 30 EFEDMM CC(C)(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC001647190335 1089058810 /nfs/dbraw/zinc/05/88/10/1089058810.db2.gz QCGLDFBDDYAEHR-UHFFFAOYSA-N -1 1 348.424 2.850 20 30 EFEDMM CC[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cc(C)ccc1C ZINC001577000023 1089574429 /nfs/dbraw/zinc/57/44/29/1089574429.db2.gz ZXWGQJPVJUYQQO-CYBMUJFWSA-N -1 1 334.387 2.708 20 30 EFEDMM N#Cc1ccc(Sc2nnccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC001581874183 1091328740 /nfs/dbraw/zinc/32/87/40/1091328740.db2.gz HQHFQABKSRNQMT-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM C#C[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC001588329069 1092926060 /nfs/dbraw/zinc/92/60/60/1092926060.db2.gz XDJBGPFBVWUWSF-AWEZNQCLSA-N -1 1 327.351 2.596 20 30 EFEDMM C#C[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC001588329069 1092926069 /nfs/dbraw/zinc/92/60/69/1092926069.db2.gz XDJBGPFBVWUWSF-AWEZNQCLSA-N -1 1 327.351 2.596 20 30 EFEDMM C#C[C@@H](Nc1cc(-c2nnn[n-]2)nc(CC)n1)c1ccc(Cl)cc1 ZINC001588329157 1092927290 /nfs/dbraw/zinc/92/72/90/1092927290.db2.gz ZAJLJAIWSVPLSM-GFCCVEGCSA-N -1 1 339.790 2.659 20 30 EFEDMM C#C[C@@H](Nc1cc(-c2nn[n-]n2)nc(CC)n1)c1ccc(Cl)cc1 ZINC001588329157 1092927294 /nfs/dbraw/zinc/92/72/94/1092927294.db2.gz ZAJLJAIWSVPLSM-GFCCVEGCSA-N -1 1 339.790 2.659 20 30 EFEDMM C#CC1CCC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CC1 ZINC001588332435 1092927790 /nfs/dbraw/zinc/92/77/90/1092927790.db2.gz JZRYKSZEBNVBIY-UHFFFAOYSA-N -1 1 327.392 2.645 20 30 EFEDMM C#CC1CCC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CC1 ZINC001588332901 1092930179 /nfs/dbraw/zinc/93/01/79/1092930179.db2.gz VUVSJNJPWFZLNB-UHFFFAOYSA-N -1 1 327.392 2.744 20 30 EFEDMM C#CCOc1cccc(Oc2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001588362987 1092931824 /nfs/dbraw/zinc/93/18/24/1092931824.db2.gz DGMQNCJAPSZFBH-UHFFFAOYSA-N -1 1 333.760 2.781 20 30 EFEDMM C#CCCCCCCn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588346024 1092932897 /nfs/dbraw/zinc/93/28/97/1092932897.db2.gz TYMOCUHXVSRWDR-UHFFFAOYSA-N -1 1 339.321 2.631 20 30 EFEDMM C=C(C)[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc(F)c(F)c1 ZINC001588400711 1092940702 /nfs/dbraw/zinc/94/07/02/1092940702.db2.gz DVUDABXQWDWLNI-AWEZNQCLSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C(C)[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc(F)c(F)c1 ZINC001588400711 1092940707 /nfs/dbraw/zinc/94/07/07/1092940707.db2.gz DVUDABXQWDWLNI-AWEZNQCLSA-N -1 1 329.314 2.664 20 30 EFEDMM C=C(Br)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588391280 1092941446 /nfs/dbraw/zinc/94/14/46/1092941446.db2.gz HLKBNKXFUBDSNU-UHFFFAOYSA-N -1 1 349.114 2.601 20 30 EFEDMM C=C(Br)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588391280 1092941456 /nfs/dbraw/zinc/94/14/56/1092941456.db2.gz HLKBNKXFUBDSNU-UHFFFAOYSA-N -1 1 349.114 2.601 20 30 EFEDMM C=CC1(CC(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001588525871 1092952393 /nfs/dbraw/zinc/95/23/93/1092952393.db2.gz MFILGWWAWCBIMV-UHFFFAOYSA-N -1 1 326.404 2.751 20 30 EFEDMM C=CC1(CC(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001588525871 1092952404 /nfs/dbraw/zinc/95/24/04/1092952404.db2.gz MFILGWWAWCBIMV-UHFFFAOYSA-N -1 1 326.404 2.751 20 30 EFEDMM C=C[C@@H](CC(=O)OCc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001588518864 1092952436 /nfs/dbraw/zinc/95/24/36/1092952436.db2.gz MIOHHWZGGPHWAW-ZDUSSCGKSA-N -1 1 335.367 2.665 20 30 EFEDMM C=C[C@@H](CC(=O)OCc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001588518864 1092952447 /nfs/dbraw/zinc/95/24/47/1092952447.db2.gz MIOHHWZGGPHWAW-ZDUSSCGKSA-N -1 1 335.367 2.665 20 30 EFEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588560411 1092960925 /nfs/dbraw/zinc/96/09/25/1092960925.db2.gz PYSOVNHMSXGSNP-ZYHUDNBSSA-N -1 1 346.822 2.780 20 30 EFEDMM C=CCCCCCCCCNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001588593788 1092965144 /nfs/dbraw/zinc/96/51/44/1092965144.db2.gz IZILIAWIWOIAFC-UHFFFAOYSA-N -1 1 326.408 2.857 20 30 EFEDMM C=CCCCCCCCCNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001588593788 1092965153 /nfs/dbraw/zinc/96/51/53/1092965153.db2.gz IZILIAWIWOIAFC-UHFFFAOYSA-N -1 1 326.408 2.857 20 30 EFEDMM C=CCOc1ccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001588689669 1092981022 /nfs/dbraw/zinc/98/10/22/1092981022.db2.gz JOCFGAPTHDPDAG-UHFFFAOYSA-N -1 1 340.339 2.690 20 30 EFEDMM C=CCOc1ccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001588689669 1092981027 /nfs/dbraw/zinc/98/10/27/1092981027.db2.gz JOCFGAPTHDPDAG-UHFFFAOYSA-N -1 1 340.339 2.690 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2)o1 ZINC001588781226 1092992303 /nfs/dbraw/zinc/99/23/03/1092992303.db2.gz NHESSMFHFCHNSE-UHFFFAOYSA-N -1 1 329.339 2.953 20 30 EFEDMM Cc1ccc(O)c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC001588781391 1092992509 /nfs/dbraw/zinc/99/25/09/1092992509.db2.gz ZOGMDESVRRMGJH-UHFFFAOYSA-N -1 1 341.375 2.828 20 30 EFEDMM Cc1nc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cs1 ZINC001588782363 1092992695 /nfs/dbraw/zinc/99/26/95/1092992695.db2.gz TXYAATJQHRUJSR-UHFFFAOYSA-N -1 1 346.420 2.654 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2)o1 ZINC001588782202 1092992838 /nfs/dbraw/zinc/99/28/38/1092992838.db2.gz PJLXBBXSJLUNHA-UHFFFAOYSA-N -1 1 325.376 2.889 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(CF)(CF)C2)o1 ZINC001589238541 1093054889 /nfs/dbraw/zinc/05/48/89/1093054889.db2.gz ZKMCNNVAEUYFCB-UHFFFAOYSA-N -1 1 339.350 2.639 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC2Cc3ccccc3C2)o1 ZINC001589774263 1093142721 /nfs/dbraw/zinc/14/27/21/1093142721.db2.gz VRBAMXRJDYAMIC-UHFFFAOYSA-N -1 1 337.387 2.791 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC(F)(F)CC2)o1 ZINC001589773497 1093143248 /nfs/dbraw/zinc/14/32/48/1093143248.db2.gz IVPMJSDOTTVTDZ-UHFFFAOYSA-N -1 1 325.323 2.955 20 30 EFEDMM CC(C)c1ccc(C[C@@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001589896308 1093170851 /nfs/dbraw/zinc/17/08/51/1093170851.db2.gz FVPTYPOSUYTICT-GFCCVEGCSA-N -1 1 348.414 2.695 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cccc2ccccc21 ZINC001589986556 1093211250 /nfs/dbraw/zinc/21/12/50/1093211250.db2.gz LJTNVZZTEWLJMQ-LLVKDONJSA-N -1 1 342.366 2.855 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cccc2ccccc21 ZINC001589986556 1093211259 /nfs/dbraw/zinc/21/12/59/1093211259.db2.gz LJTNVZZTEWLJMQ-LLVKDONJSA-N -1 1 342.366 2.855 20 30 EFEDMM CC1(C)CCC(C)(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001590088736 1093259263 /nfs/dbraw/zinc/25/92/63/1093259263.db2.gz GJNRXSJHDGQNDV-UHFFFAOYSA-N -1 1 326.408 2.547 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@]2(C)CCCS2)o1 ZINC001590120531 1093273164 /nfs/dbraw/zinc/27/31/64/1093273164.db2.gz PTWMCHFDZPBSNW-AWEZNQCLSA-N -1 1 335.437 2.836 20 30 EFEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590241888 1093329479 /nfs/dbraw/zinc/32/94/79/1093329479.db2.gz YLJLPWMROJXFSG-ZMZPIMSZSA-N -1 1 349.398 2.550 20 30 EFEDMM CCC1(CC)CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590494913 1093455131 /nfs/dbraw/zinc/45/51/31/1093455131.db2.gz XHXIGBPJSNSZKS-UHFFFAOYSA-N -1 1 326.408 2.689 20 30 EFEDMM CCC1(CC)CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590494913 1093455135 /nfs/dbraw/zinc/45/51/35/1093455135.db2.gz XHXIGBPJSNSZKS-UHFFFAOYSA-N -1 1 326.408 2.689 20 30 EFEDMM CCC[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590571227 1093496307 /nfs/dbraw/zinc/49/63/07/1093496307.db2.gz YKEHIYMWKIBLIJ-NWDGAFQWSA-N -1 1 326.408 2.547 20 30 EFEDMM CCC[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590571227 1093496312 /nfs/dbraw/zinc/49/63/12/1093496312.db2.gz YKEHIYMWKIBLIJ-NWDGAFQWSA-N -1 1 326.408 2.547 20 30 EFEDMM CCC[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590571229 1093496408 /nfs/dbraw/zinc/49/64/08/1093496408.db2.gz YKEHIYMWKIBLIJ-VXGBXAGGSA-N -1 1 326.408 2.547 20 30 EFEDMM CCC[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590571229 1093496411 /nfs/dbraw/zinc/49/64/11/1093496411.db2.gz YKEHIYMWKIBLIJ-VXGBXAGGSA-N -1 1 326.408 2.547 20 30 EFEDMM CCCCC1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590583493 1093500405 /nfs/dbraw/zinc/50/04/05/1093500405.db2.gz ZXAISMSRPNCMKV-UHFFFAOYSA-N -1 1 326.408 2.689 20 30 EFEDMM CCCCC1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590583493 1093500410 /nfs/dbraw/zinc/50/04/10/1093500410.db2.gz ZXAISMSRPNCMKV-UHFFFAOYSA-N -1 1 326.408 2.689 20 30 EFEDMM CCCCCCCC[C@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590592775 1093503486 /nfs/dbraw/zinc/50/34/86/1093503486.db2.gz JBCOAWZOOAHIBD-LBPRGKRZSA-N -1 1 333.440 2.925 20 30 EFEDMM CCCCCCCC[C@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590592775 1093503489 /nfs/dbraw/zinc/50/34/89/1093503489.db2.gz JBCOAWZOOAHIBD-LBPRGKRZSA-N -1 1 333.440 2.925 20 30 EFEDMM CCCCCCCCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590592239 1093503774 /nfs/dbraw/zinc/50/37/74/1093503774.db2.gz JOYRWUDMXFVXAQ-UHFFFAOYSA-N -1 1 347.423 2.752 20 30 EFEDMM CCCCOc1ccccc1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001590611278 1093515503 /nfs/dbraw/zinc/51/55/03/1093515503.db2.gz KVAHQJKPKIPUQH-UHFFFAOYSA-N -1 1 341.375 2.788 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C#N ZINC001590872468 1093607885 /nfs/dbraw/zinc/60/78/85/1093607885.db2.gz WCHUOYWTWFOXNR-UHFFFAOYSA-N -1 1 342.384 2.824 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C#N ZINC001590872468 1093607892 /nfs/dbraw/zinc/60/78/92/1093607892.db2.gz WCHUOYWTWFOXNR-UHFFFAOYSA-N -1 1 342.384 2.824 20 30 EFEDMM C[Si](C)(C)C#CCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591779607 1093855958 /nfs/dbraw/zinc/85/59/58/1093855958.db2.gz KSJRDGKJWLKGJE-UHFFFAOYSA-N -1 1 340.385 2.573 20 30 EFEDMM C[Si](C)(C)C#CCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591779607 1093855962 /nfs/dbraw/zinc/85/59/62/1093855962.db2.gz KSJRDGKJWLKGJE-UHFFFAOYSA-N -1 1 340.385 2.573 20 30 EFEDMM Cc1ccc(CCCN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cn1 ZINC001592150602 1094000684 /nfs/dbraw/zinc/00/06/84/1094000684.db2.gz IADIQQJCKWWGGH-UHFFFAOYSA-N -1 1 340.391 2.712 20 30 EFEDMM Cc1ccc2c(ccc(C)c2Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC001592205380 1094030431 /nfs/dbraw/zinc/03/04/31/1094030431.db2.gz UHKNIMIRFIWNRC-UHFFFAOYSA-N -1 1 329.367 2.753 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cc(Cl)cc(Cl)c1 ZINC001592334949 1094079308 /nfs/dbraw/zinc/07/93/08/1094079308.db2.gz IZXZHLRRIXBCCU-UHFFFAOYSA-N -1 1 334.170 2.598 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccccc2C(F)(F)F)o1 ZINC001592338568 1094081438 /nfs/dbraw/zinc/08/14/38/1094081438.db2.gz HVXCCJUYEIYLRD-UHFFFAOYSA-N -1 1 337.265 2.628 20 30 EFEDMM FC(F)(F)C(=NOCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592612888 1094138537 /nfs/dbraw/zinc/13/85/37/1094138537.db2.gz UOMPMQAEIRFNFG-UHFFFAOYSA-N -1 1 348.288 2.745 20 30 EFEDMM FC(F)(F)C(=NOCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592612888 1094138541 /nfs/dbraw/zinc/13/85/41/1094138541.db2.gz UOMPMQAEIRFNFG-UHFFFAOYSA-N -1 1 348.288 2.745 20 30 EFEDMM N#C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C1CCCCC1 ZINC001592668285 1094173064 /nfs/dbraw/zinc/17/30/64/1094173064.db2.gz IXLDTMJZVIHYOX-AWEZNQCLSA-N -1 1 349.398 2.550 20 30 EFEDMM N#CCC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001592674682 1094175287 /nfs/dbraw/zinc/17/52/87/1094175287.db2.gz JIGPYSJFNBRLMG-AWEZNQCLSA-N -1 1 346.398 2.991 20 30 EFEDMM N#CCC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001592674682 1094175291 /nfs/dbraw/zinc/17/52/91/1094175291.db2.gz JIGPYSJFNBRLMG-AWEZNQCLSA-N -1 1 346.398 2.991 20 30 EFEDMM N#Cc1nc(Oc2cc(Cl)cc(Cl)c2)cnc1-c1nn[n-]n1 ZINC001592707495 1094182571 /nfs/dbraw/zinc/18/25/71/1094182571.db2.gz HLQVOUITSNTLPT-UHFFFAOYSA-N -1 1 334.126 2.627 20 30 EFEDMM N#Cc1ncc(S[C@H]2CCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001592708686 1094182605 /nfs/dbraw/zinc/18/26/05/1094182605.db2.gz IUHMCIXLCYOHCH-ZDUSSCGKSA-N -1 1 335.396 2.698 20 30 EFEDMM N#Cc1nc(N[C@H](CC2CCC2)c2ccccc2)cnc1-c1nnn[n-]1 ZINC001592707914 1094182687 /nfs/dbraw/zinc/18/26/87/1094182687.db2.gz JXKRRWSNFQVTBT-CQSZACIVSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1nc(N[C@H](CC2CCC2)c2ccccc2)cnc1-c1nn[n-]n1 ZINC001592707914 1094182692 /nfs/dbraw/zinc/18/26/92/1094182692.db2.gz JXKRRWSNFQVTBT-CQSZACIVSA-N -1 1 346.398 2.872 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)c1cc[nH]c(=O)c1 ZINC001592791068 1094188197 /nfs/dbraw/zinc/18/81/97/1094188197.db2.gz AVVJCMIUJRQDEW-RQOWECAXSA-N -1 1 345.721 2.656 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)c1cc[nH]c(=O)c1 ZINC001592791068 1094188203 /nfs/dbraw/zinc/18/82/03/1094188203.db2.gz AVVJCMIUJRQDEW-RQOWECAXSA-N -1 1 345.721 2.656 20 30 EFEDMM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC001592802363 1094192137 /nfs/dbraw/zinc/19/21/37/1094192137.db2.gz CEBCLNLKXAYJTO-SNAWJCMRSA-N -1 1 340.412 2.821 20 30 EFEDMM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC001592802363 1094192138 /nfs/dbraw/zinc/19/21/38/1094192138.db2.gz CEBCLNLKXAYJTO-SNAWJCMRSA-N -1 1 340.412 2.821 20 30 EFEDMM Cc1nn(-c2cccc(C)c2)cc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001600508424 1095122342 /nfs/dbraw/zinc/12/23/42/1095122342.db2.gz FIDXKOGFNKBPEW-UHFFFAOYSA-N -1 1 338.411 2.680 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)Nc3ccccc3C(=O)[O-])[nH]c21 ZINC001600555311 1095160382 /nfs/dbraw/zinc/16/03/82/1095160382.db2.gz PXYFMBSCWQFYNY-GFCCVEGCSA-N -1 1 334.335 2.815 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN2CCCCC[C@@H]2C(=O)[O-])c1C#N ZINC001600762035 1095314120 /nfs/dbraw/zinc/31/41/20/1095314120.db2.gz NRXHYAPDKLWTOF-QGZVFWFLSA-N -1 1 338.411 2.882 20 30 EFEDMM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001649248024 1095342873 /nfs/dbraw/zinc/34/28/73/1095342873.db2.gz KKZPMKJMJRLOKO-VIFPVBQESA-N -1 1 341.749 2.642 20 30 EFEDMM N#CC(C(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC001601047289 1095477925 /nfs/dbraw/zinc/47/79/25/1095477925.db2.gz LZLNTPGIPZAORR-LLVKDONJSA-N -1 1 338.348 2.721 20 30 EFEDMM N#C[C@H](CCc1ccccc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001601049158 1095479770 /nfs/dbraw/zinc/47/97/70/1095479770.db2.gz VAKYDBSYEOQNOE-ZDUSSCGKSA-N -1 1 348.362 2.972 20 30 EFEDMM N#CCCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001601065794 1095488511 /nfs/dbraw/zinc/48/85/11/1095488511.db2.gz RELOHOUYKKWXEP-CQSZACIVSA-N -1 1 337.217 2.954 20 30 EFEDMM N#Cc1c(CSc2nc(-c3cccnc3)n[nH]2)cccc1C(=O)[O-] ZINC001601080709 1095494514 /nfs/dbraw/zinc/49/45/14/1095494514.db2.gz RLHRYAWEFXVHHF-UHFFFAOYSA-N -1 1 337.364 2.729 20 30 EFEDMM N#Cc1ccc(C2(NCc3occc3C(=O)[O-])CCOCC2)cc1 ZINC001601098053 1095510490 /nfs/dbraw/zinc/51/04/90/1095510490.db2.gz SYWKZZLVNTZSNX-UHFFFAOYSA-N -1 1 326.352 2.645 20 30 EFEDMM N#Cc1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC001601099685 1095511956 /nfs/dbraw/zinc/51/19/56/1095511956.db2.gz APAUSJWOVALJCO-GFCCVEGCSA-N -1 1 331.372 2.842 20 30 EFEDMM N#Cc1ccc(N[C@H]2CCCN(Cc3csc(C(=O)[O-])c3)C2)nc1 ZINC001601108411 1095516860 /nfs/dbraw/zinc/51/68/60/1095516860.db2.gz NXPZRXSHYIVHHO-AWEZNQCLSA-N -1 1 342.424 2.789 20 30 EFEDMM N#Cc1cccc([C@H](OC(=O)c2[nH]nc3c2CCCCC3)C(=O)[O-])c1 ZINC001601120488 1095525192 /nfs/dbraw/zinc/52/51/92/1095525192.db2.gz WQLYDZAETSERDI-INIZCTEOSA-N -1 1 339.351 2.533 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C[C@@H]3CCCC[C@@H]3C(=O)[O-])CCO2)c1 ZINC001601120177 1095525818 /nfs/dbraw/zinc/52/58/18/1095525818.db2.gz KVQDDHVTYXPXAO-BZSNNMDCSA-N -1 1 328.412 2.823 20 30 EFEDMM N#Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)n1 ZINC001601123286 1095527460 /nfs/dbraw/zinc/52/74/60/1095527460.db2.gz TUVZKQVXSFYBEO-AWEZNQCLSA-N -1 1 335.285 2.888 20 30 EFEDMM N#Cc1nc(C(=O)[O-])ccc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC001601134975 1095536734 /nfs/dbraw/zinc/53/67/34/1095536734.db2.gz SPVGSRVFOKDTMY-UHFFFAOYSA-N -1 1 327.731 2.793 20 30 EFEDMM O=C([O-])C1([C@]2(O)CCCN(CC#Cc3ccccc3Cl)C2)CCC1 ZINC001601704357 1095845313 /nfs/dbraw/zinc/84/53/13/1095845313.db2.gz HLDKRLPBVBDXPI-IBGZPJMESA-N -1 1 347.842 2.773 20 30 EFEDMM O=C([O-])C1(C2(O)CCN(CC#Cc3ccc(Cl)cc3)CC2)CCC1 ZINC001601706166 1095853831 /nfs/dbraw/zinc/85/38/31/1095853831.db2.gz NBOAMYCYJICSRW-UHFFFAOYSA-N -1 1 347.842 2.773 20 30 EFEDMM C#CC[C@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001602697106 1096353277 /nfs/dbraw/zinc/35/32/77/1096353277.db2.gz KBFKHFNPVUXITK-CYBMUJFWSA-N -1 1 338.802 2.962 20 30 EFEDMM C#CC[C@H](Cc1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001602697106 1096353285 /nfs/dbraw/zinc/35/32/85/1096353285.db2.gz KBFKHFNPVUXITK-CYBMUJFWSA-N -1 1 338.802 2.962 20 30 EFEDMM C#Cc1ccc(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)cc1 ZINC001602741268 1096359989 /nfs/dbraw/zinc/35/99/89/1096359989.db2.gz CLLWUISZTXXYSZ-UHFFFAOYSA-N -1 1 344.300 2.874 20 30 EFEDMM C#Cc1ccc(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)cc1 ZINC001602741268 1096359994 /nfs/dbraw/zinc/35/99/94/1096359994.db2.gz CLLWUISZTXXYSZ-UHFFFAOYSA-N -1 1 344.300 2.874 20 30 EFEDMM C=C[C@@H](CC(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001602802054 1096373208 /nfs/dbraw/zinc/37/32/08/1096373208.db2.gz ZXGIJLJILPANAY-NSHDSACASA-N -1 1 340.412 2.930 20 30 EFEDMM C=C[C@@H](CC(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001602802054 1096373218 /nfs/dbraw/zinc/37/32/18/1096373218.db2.gz ZXGIJLJILPANAY-NSHDSACASA-N -1 1 340.412 2.930 20 30 EFEDMM C=CC[C@H]1N(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001602823468 1096378421 /nfs/dbraw/zinc/37/84/21/1096378421.db2.gz KYNOZKZNOKLPOU-CQSZACIVSA-N -1 1 341.419 2.860 20 30 EFEDMM C=CC[C@H]1N(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001602823468 1096378430 /nfs/dbraw/zinc/37/84/30/1096378430.db2.gz KYNOZKZNOKLPOU-CQSZACIVSA-N -1 1 341.419 2.860 20 30 EFEDMM C=CCN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccccc1F ZINC001602863533 1096388823 /nfs/dbraw/zinc/38/88/23/1096388823.db2.gz XZMSMFQDGVCRKH-UHFFFAOYSA-N -1 1 330.392 2.651 20 30 EFEDMM C=CCN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccccc1F ZINC001602863533 1096388828 /nfs/dbraw/zinc/38/88/28/1096388828.db2.gz XZMSMFQDGVCRKH-UHFFFAOYSA-N -1 1 330.392 2.651 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(O)cc2)o1 ZINC001602912797 1096398767 /nfs/dbraw/zinc/39/87/67/1096398767.db2.gz XIGLNBZPDPMHOS-UHFFFAOYSA-N -1 1 327.348 2.520 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2O)o1 ZINC001602911506 1096399885 /nfs/dbraw/zinc/39/98/85/1096399885.db2.gz FSOSMWHFSZMMNT-UHFFFAOYSA-N -1 1 327.348 2.520 20 30 EFEDMM C=C[C@H](CO)NCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001602944546 1096403952 /nfs/dbraw/zinc/40/39/52/1096403952.db2.gz ARHVYOZMTHGNHA-QGZVFWFLSA-N -1 1 327.380 2.600 20 30 EFEDMM CC(C)(C)[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)c2ccccc21 ZINC001603068323 1096431121 /nfs/dbraw/zinc/43/11/21/1096431121.db2.gz YRGDNJXKQHHEBO-GFCCVEGCSA-N -1 1 346.398 2.810 20 30 EFEDMM CC(C)(C)[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)c2ccccc21 ZINC001603068323 1096431125 /nfs/dbraw/zinc/43/11/25/1096431125.db2.gz YRGDNJXKQHHEBO-GFCCVEGCSA-N -1 1 346.398 2.810 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCSC2)o1 ZINC001603122689 1096451546 /nfs/dbraw/zinc/45/15/46/1096451546.db2.gz SNBUASUXSGIRLJ-SECBINFHSA-N -1 1 335.437 2.693 20 30 EFEDMM C[C@@H](CCC1CCCCC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603468063 1096534262 /nfs/dbraw/zinc/53/42/62/1096534262.db2.gz VGHWRLDCUOGBQJ-NSHDSACASA-N -1 1 326.408 2.689 20 30 EFEDMM C[C@@H](CCC1CCCCC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603468063 1096534264 /nfs/dbraw/zinc/53/42/64/1096534264.db2.gz VGHWRLDCUOGBQJ-NSHDSACASA-N -1 1 326.408 2.689 20 30 EFEDMM COc1cccc2c1C[C@@H](C(=O)N([O-])C(=N)c1ccccc1N)CC2 ZINC001143543649 1096634287 /nfs/dbraw/zinc/63/42/87/1096634287.db2.gz ADNQRPPUVPHIGE-ZDUSSCGKSA-N -1 1 339.395 2.626 20 30 EFEDMM C[C@@H]1C[C@H](CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC(C)(C)C1 ZINC001603851052 1096645438 /nfs/dbraw/zinc/64/54/38/1096645438.db2.gz QLTMMUQCBSXTGQ-NEPJUHHUSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@@H]1C[C@H](CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC(C)(C)C1 ZINC001603851052 1096645443 /nfs/dbraw/zinc/64/54/43/1096645443.db2.gz QLTMMUQCBSXTGQ-NEPJUHHUSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@H]1CCCc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603898571 1096663382 /nfs/dbraw/zinc/66/33/82/1096663382.db2.gz JOWDQLCERIDGAI-ZBEGNZNMSA-N -1 1 346.398 2.654 20 30 EFEDMM C[C@H]1CCCc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603898571 1096663387 /nfs/dbraw/zinc/66/33/87/1096663387.db2.gz JOWDQLCERIDGAI-ZBEGNZNMSA-N -1 1 346.398 2.654 20 30 EFEDMM C[C@@H]1CCCc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603898567 1096663635 /nfs/dbraw/zinc/66/36/35/1096663635.db2.gz JOWDQLCERIDGAI-BZNIZROVSA-N -1 1 346.398 2.654 20 30 EFEDMM C[C@@H]1CCCc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603898567 1096663639 /nfs/dbraw/zinc/66/36/39/1096663639.db2.gz JOWDQLCERIDGAI-BZNIZROVSA-N -1 1 346.398 2.654 20 30 EFEDMM CCCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1cccnc1 ZINC001604118996 1096742387 /nfs/dbraw/zinc/74/23/87/1096742387.db2.gz DCKNRBSHDKZRPP-UHFFFAOYSA-N -1 1 340.391 2.989 20 30 EFEDMM C[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)N1CCc2sccc2C1 ZINC001604189518 1096767668 /nfs/dbraw/zinc/76/76/68/1096767668.db2.gz BERYALKUELRPOC-NSHDSACASA-N -1 1 342.424 2.572 20 30 EFEDMM C[C@](NCc1ccc(F)c(C#N)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604350023 1096825809 /nfs/dbraw/zinc/82/58/09/1096825809.db2.gz KXPPEOILCKESFQ-QGZVFWFLSA-N -1 1 343.314 2.695 20 30 EFEDMM C[C@H]1[C@@H](C(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC001604636001 1096918972 /nfs/dbraw/zinc/91/89/72/1096918972.db2.gz JOINVPNKFDNUPR-KBPBESRZSA-N -1 1 339.395 2.533 20 30 EFEDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001604652927 1096924328 /nfs/dbraw/zinc/92/43/28/1096924328.db2.gz SRBRLZXZTKIVIZ-RYUDHWBXSA-N -1 1 340.383 2.682 20 30 EFEDMM CN(CCc1cccc(C#N)c1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604791502 1096955950 /nfs/dbraw/zinc/95/59/50/1096955950.db2.gz AFHAQADURJHYFI-UHFFFAOYSA-N -1 1 345.819 2.527 20 30 EFEDMM CN(CCc1cccc(C#N)c1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604791502 1096955956 /nfs/dbraw/zinc/95/59/56/1096955956.db2.gz AFHAQADURJHYFI-UHFFFAOYSA-N -1 1 345.819 2.527 20 30 EFEDMM COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1 ZINC001605269873 1097075997 /nfs/dbraw/zinc/07/59/97/1097075997.db2.gz IQHOIENXBCJJEM-UHFFFAOYSA-N -1 1 341.375 2.508 20 30 EFEDMM COc1cccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1 ZINC001605319987 1097094687 /nfs/dbraw/zinc/09/46/87/1097094687.db2.gz XCAYKNLEZIIZHR-UHFFFAOYSA-N -1 1 341.375 2.607 20 30 EFEDMM CCO[C@@H]1C[C@@](NCC#Cc2ccc(Cl)cc2)(C(=O)[O-])C1(C)C ZINC001605605754 1097169296 /nfs/dbraw/zinc/16/92/96/1097169296.db2.gz HIKXSTKAROCZLD-CRAIPNDOSA-N -1 1 335.831 2.940 20 30 EFEDMM Cc1cc(C)n(N=C[C@@]2(C)C[C@@H]2c2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC001605649289 1097179840 /nfs/dbraw/zinc/17/98/40/1097179840.db2.gz BPVQYYPGBCQORC-DNVCBOLYSA-N -1 1 348.410 2.673 20 30 EFEDMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CCCCC#N ZINC001605667207 1097187108 /nfs/dbraw/zinc/18/71/08/1097187108.db2.gz JHVDVGQTRZNKBG-UHFFFAOYSA-N -1 1 342.790 2.837 20 30 EFEDMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)c(C#N)cc1[N+](=O)[O-] ZINC001605740771 1097211324 /nfs/dbraw/zinc/21/13/24/1097211324.db2.gz WGTGDYOZVHRTAK-UHFFFAOYSA-N -1 1 341.356 2.629 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3cc(Cl)ccc23)o1 ZINC001606019338 1097299735 /nfs/dbraw/zinc/29/97/35/1097299735.db2.gz FHYDBYBUHROGFW-UHFFFAOYSA-N -1 1 342.750 2.744 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(C(C)(C)C)cc2)o1 ZINC001606019681 1097300009 /nfs/dbraw/zinc/30/00/09/1097300009.db2.gz JKYKRCJGDZDAET-UHFFFAOYSA-N -1 1 325.376 2.907 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCCc3cc(C#N)ccc32)o1 ZINC001606019889 1097300121 /nfs/dbraw/zinc/30/01/21/1097300121.db2.gz ONSQIISOZMCBJO-UHFFFAOYSA-N -1 1 348.370 2.577 20 30 EFEDMM N#Cc1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)ncc1Cl ZINC001167931985 1097316403 /nfs/dbraw/zinc/31/64/03/1097316403.db2.gz LTAMEJNUFMTYOR-UHFFFAOYSA-N -1 1 349.714 2.691 20 30 EFEDMM N#Cc1ccc(F)c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167934208 1097337833 /nfs/dbraw/zinc/33/78/33/1097337833.db2.gz GXEATXPTHZLNLG-UHFFFAOYSA-N -1 1 332.271 2.782 20 30 EFEDMM CN1CCN(c2ccc(/C=C\C(=O)c3cc(C(=O)[O-])co3)cc2)CC1 ZINC001606245290 1097356893 /nfs/dbraw/zinc/35/68/93/1097356893.db2.gz AWYVSGCTVDWIDX-DAXSKMNVSA-N -1 1 340.379 2.626 20 30 EFEDMM N#Cc1nc(N[C@H](C2CCC2)C2CCCCC2)cnc1-c1nnn[n-]1 ZINC001606392824 1097398621 /nfs/dbraw/zinc/39/86/21/1097398621.db2.gz GFQSMWQIIRXBCV-HNNXBMFYSA-N -1 1 338.419 2.689 20 30 EFEDMM N#Cc1nc(N[C@H](C2CCC2)C2CCCCC2)cnc1-c1nn[n-]n1 ZINC001606392824 1097398628 /nfs/dbraw/zinc/39/86/28/1097398628.db2.gz GFQSMWQIIRXBCV-HNNXBMFYSA-N -1 1 338.419 2.689 20 30 EFEDMM N#Cc1nc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)cnc1-c1nnn[n-]1 ZINC001606392790 1097398883 /nfs/dbraw/zinc/39/88/83/1097398883.db2.gz DESCYAPZNCITMZ-ZIAGYGMSSA-N -1 1 346.398 2.667 20 30 EFEDMM N#Cc1nc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)cnc1-c1nn[n-]n1 ZINC001606392790 1097398887 /nfs/dbraw/zinc/39/88/87/1097398887.db2.gz DESCYAPZNCITMZ-ZIAGYGMSSA-N -1 1 346.398 2.667 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C2CCC2)c1 ZINC001606482364 1097405832 /nfs/dbraw/zinc/40/58/32/1097405832.db2.gz MEUVRASEYVMILG-XQRVVYSFSA-N -1 1 326.385 2.746 20 30 EFEDMM COc1cc(CN[C@H](C)c2ccccc2OCC(=O)[O-])ccc1C#N ZINC001607163906 1097548585 /nfs/dbraw/zinc/54/85/85/1097548585.db2.gz KJMIDGLUBAWGAS-CYBMUJFWSA-N -1 1 340.379 2.881 20 30 EFEDMM COc1ccc(C#N)cc1CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001607201234 1097558472 /nfs/dbraw/zinc/55/84/72/1097558472.db2.gz FEQJLNBWIHUWBW-UHFFFAOYSA-N -1 1 341.367 2.633 20 30 EFEDMM COc1ccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1C#N ZINC001607253910 1097576270 /nfs/dbraw/zinc/57/62/70/1097576270.db2.gz OMKPSWWPTFFADO-UHFFFAOYSA-N -1 1 341.367 2.633 20 30 EFEDMM N#CC(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)=C(O)C1(c2ccccc2)CC1 ZINC001608170627 1097850150 /nfs/dbraw/zinc/85/01/50/1097850150.db2.gz VBXHTMBKSRKPMB-OFQRWUPVSA-N -1 1 339.391 2.887 20 30 EFEDMM N#CCc1cccc2c1CC[N@H+](CCOc1cccc(C(=O)[O-])c1)C2 ZINC001608189414 1097855018 /nfs/dbraw/zinc/85/50/18/1097855018.db2.gz QSPVXCPHKSTMAV-UHFFFAOYSA-N -1 1 336.391 2.888 20 30 EFEDMM N#Cc1cccc([C@@H](N[C@@H](Cn2cccn2)c2ccccc2)C(=O)[O-])c1 ZINC001608215817 1097865783 /nfs/dbraw/zinc/86/57/83/1097865783.db2.gz QMUCALWRAIJEFB-RBUKOAKNSA-N -1 1 346.390 2.912 20 30 EFEDMM N#Cc1cccc([C@H](N[C@@H](CO)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001608216258 1097866287 /nfs/dbraw/zinc/86/62/87/1097866287.db2.gz XXXBIIFNUNTZJB-HOTGVXAUSA-N -1 1 330.771 2.661 20 30 EFEDMM N#Cc1cccc(OC2CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)c1 ZINC001608218651 1097868229 /nfs/dbraw/zinc/86/82/29/1097868229.db2.gz USAABVJGDDUECN-UHFFFAOYSA-N -1 1 325.368 2.628 20 30 EFEDMM N#Cc1cccc(OCCN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001608218452 1097868465 /nfs/dbraw/zinc/86/84/65/1097868465.db2.gz PIMCESBFJMXTBG-UHFFFAOYSA-N -1 1 340.354 2.833 20 30 EFEDMM O=C([O-])[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H]([C@H]2CCCO2)C1 ZINC001608633962 1097972284 /nfs/dbraw/zinc/97/22/84/1097972284.db2.gz NEHNHRRNTQTUCU-BPQIPLTHSA-N -1 1 331.387 2.521 20 30 EFEDMM C=CCNc1nnc(Sc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001609058726 1098126224 /nfs/dbraw/zinc/12/62/24/1098126224.db2.gz QUUHPXWDVQCICC-UHFFFAOYSA-N -1 1 335.393 2.606 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)CC(F)(F)F)o1 ZINC001609109268 1098150061 /nfs/dbraw/zinc/15/00/61/1098150061.db2.gz VVGJWRKFAFZSBA-UHFFFAOYSA-N -1 1 331.302 2.793 20 30 EFEDMM C#CCN(CC(=O)N(C)c1ccccc1C(=O)[O-])C1CCCCC1 ZINC001609152759 1098171282 /nfs/dbraw/zinc/17/12/82/1098171282.db2.gz FOSYGOUPFUOBKQ-UHFFFAOYSA-N -1 1 328.412 2.616 20 30 EFEDMM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609153071 1098171544 /nfs/dbraw/zinc/17/15/44/1098171544.db2.gz LVUVRXYSHKULGD-PDKRUMACSA-N -1 1 343.343 2.551 20 30 EFEDMM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609153071 1098171545 /nfs/dbraw/zinc/17/15/45/1098171545.db2.gz LVUVRXYSHKULGD-PDKRUMACSA-N -1 1 343.343 2.551 20 30 EFEDMM CCCCCCCCOCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609209093 1098201168 /nfs/dbraw/zinc/20/11/68/1098201168.db2.gz LBXQGAKZVGETTK-UHFFFAOYSA-N -1 1 332.408 2.577 20 30 EFEDMM CCCCCCCCOCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609209093 1098201174 /nfs/dbraw/zinc/20/11/74/1098201174.db2.gz LBXQGAKZVGETTK-UHFFFAOYSA-N -1 1 332.408 2.577 20 30 EFEDMM CCN(C)c1ccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001609221306 1098211433 /nfs/dbraw/zinc/21/14/33/1098211433.db2.gz RILNPVHWZJPUKD-CMDGGOBGSA-N -1 1 340.412 2.675 20 30 EFEDMM CCN(C)c1ccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001609221306 1098211438 /nfs/dbraw/zinc/21/14/38/1098211438.db2.gz RILNPVHWZJPUKD-CMDGGOBGSA-N -1 1 340.412 2.675 20 30 EFEDMM C=CCOC[C@@H](NCc1cc(Cl)ccc1Br)C(=O)[O-] ZINC001609452769 1098333310 /nfs/dbraw/zinc/33/33/10/1098333310.db2.gz XCCZWWZPULSCGF-GFCCVEGCSA-N -1 1 348.624 2.848 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)cc([N+](=O)[O-])c1O ZINC001610293629 1098605463 /nfs/dbraw/zinc/60/54/63/1098605463.db2.gz IIMUEGYFJVQXMP-NSCUHMNNSA-N -1 1 349.320 2.965 20 30 EFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC3(C2)Oc2ccccc2O3)c1 ZINC001610630527 1098794217 /nfs/dbraw/zinc/79/42/17/1098794217.db2.gz SZXZLCATWSRROX-KRWDZBQOSA-N -1 1 336.347 2.557 20 30 EFEDMM C[C@H](OC(=O)Nc1ccccc1)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001143579192 1099544950 /nfs/dbraw/zinc/54/49/50/1099544950.db2.gz FKPVLXGTONSCRF-NSHDSACASA-N -1 1 325.324 2.840 20 30 EFEDMM N#Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)c[nH]2)cc1[O-] ZINC001634320285 1100599328 /nfs/dbraw/zinc/59/93/28/1100599328.db2.gz QWJQZYDGXBYWGA-UHFFFAOYSA-N -1 1 332.363 2.626 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2c([O-])cccc2Cl)C1=O ZINC001271647741 1102206439 /nfs/dbraw/zinc/20/64/39/1102206439.db2.gz OFEYYRJQYVHBCP-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM Cn1c(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)nnc1-c1ccccc1 ZINC000748134417 1102702934 /nfs/dbraw/zinc/70/29/34/1102702934.db2.gz XAKYHNBWRCGDLD-UHFFFAOYSA-N -1 1 338.327 2.542 20 30 EFEDMM Cc1cc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])ccc1C#N ZINC001210807442 1102884735 /nfs/dbraw/zinc/88/47/35/1102884735.db2.gz BIVMDFFJIXKASN-UHFFFAOYSA-N -1 1 331.353 2.582 20 30 EFEDMM CCOCc1nc(C)cc(N=NC(C)c2csc(C(=O)[O-])c2)n1 ZINC000905503154 1103247611 /nfs/dbraw/zinc/24/76/11/1103247611.db2.gz PAXPRFZAUKOZMU-UHFFFAOYSA-N -1 1 334.401 2.917 20 30 EFEDMM O=S1(=O)CC2(CC(Nc3cc(/C=N/[O-])cc(C(F)(F)F)c3)C2)C1 ZINC001168207483 1104530106 /nfs/dbraw/zinc/53/01/06/1104530106.db2.gz JKYOVTLFFJGKID-NGYBGAFCSA-N -1 1 348.346 2.503 20 30 EFEDMM Cc1ccc(C2CC(=NN=C3[N-]S(=O)(=O)c4ccccc43)C2)cc1 ZINC000729815908 1105295526 /nfs/dbraw/zinc/29/55/26/1105295526.db2.gz ANWXSMQNOYOTHQ-UHFFFAOYSA-N -1 1 339.420 2.967 20 30 EFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc([O-])c1F ZINC001272284060 1107477480 /nfs/dbraw/zinc/47/74/80/1107477480.db2.gz ZPUXLBDFEPGJQH-IBGZPJMESA-N -1 1 346.402 2.705 20 30 EFEDMM 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C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000172369043 533155496 /nfs/dbraw/zinc/15/54/96/533155496.db2.gz BCNINZRNHZWTTC-QWHCGFSZSA-N -1 1 340.470 2.859 20 30 EFEDMM CC(=Cc1cccc(C(=O)[O-])c1Cl)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611942 533405024 /nfs/dbraw/zinc/40/50/24/533405024.db2.gz VMKSVNVFGSNSDZ-SOFGYWHQSA-N -1 1 329.743 2.862 20 30 EFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccc(Cl)cc1 ZINC000344514250 142031389 /nfs/dbraw/zinc/03/13/89/142031389.db2.gz MCNSNZAPGQLKAM-JTQLQIEISA-N -1 1 340.788 2.550 20 30 EFEDMM CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344526258 142034304 /nfs/dbraw/zinc/03/43/04/142034304.db2.gz JPSRNDINRLESQY-OAHLLOKOSA-N -1 1 336.388 2.836 20 30 EFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1Cl ZINC000344543297 142037729 /nfs/dbraw/zinc/03/77/29/142037729.db2.gz PVTFEMMIHYZCGL-JTQLQIEISA-N -1 1 340.788 2.550 20 30 EFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cccc(Cl)c1 ZINC000344545602 142038227 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CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(F)(F)F ZINC000402418007 266398597 /nfs/dbraw/zinc/39/85/97/266398597.db2.gz ANQGASIZMSVSNF-QMMMGPOBSA-N -1 1 326.365 2.877 20 30 EFEDMM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCc2ccccc21 ZINC000331785073 267262512 /nfs/dbraw/zinc/26/25/12/267262512.db2.gz NYJSJVUUVWHXMB-QGZVFWFLSA-N -1 1 330.409 2.724 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1Cl ZINC000182278267 268014910 /nfs/dbraw/zinc/01/49/10/268014910.db2.gz YXEPNQHYLDIDSN-UHFFFAOYSA-N -1 1 336.756 2.741 20 30 EFEDMM N#Cc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1[O-] ZINC000188587104 268034937 /nfs/dbraw/zinc/03/49/37/268034937.db2.gz IXZJZKZHIVVCGJ-UHFFFAOYSA-N -1 1 341.314 2.712 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)o1 ZINC000287054896 268200812 /nfs/dbraw/zinc/20/08/12/268200812.db2.gz WUAOSMKGQYGZKJ-UHFFFAOYSA-N -1 1 334.422 2.754 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000287426839 268206670 /nfs/dbraw/zinc/20/66/70/268206670.db2.gz 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473343447 /nfs/dbraw/zinc/34/34/47/473343447.db2.gz WHVGEIFTZRBNGX-QGZVFWFLSA-N -1 1 348.374 2.694 20 30 EFEDMM CCc1ccc([C@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)CCN2)cc1 ZINC000619728863 479868278 /nfs/dbraw/zinc/86/82/78/479868278.db2.gz CMSTZMYGKQIQIS-LJQANCHMSA-N -1 1 335.407 2.613 20 30 EFEDMM N#Cc1ccc(CNC(=O)c2csc(=NC3CC3)[n-]2)cc1Cl ZINC000619781005 479883183 /nfs/dbraw/zinc/88/31/83/479883183.db2.gz OEIAZYGNUCRPSH-UHFFFAOYSA-N -1 1 332.816 2.594 20 30 EFEDMM C=C(C)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000395287400 476844568 /nfs/dbraw/zinc/84/45/68/476844568.db2.gz CYQBCMSDXXBLQF-UHFFFAOYSA-N -1 1 331.153 2.693 20 30 EFEDMM C[C@@H](O)[C@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)Cc1ccccc1 ZINC000616687578 479950260 /nfs/dbraw/zinc/95/02/60/479950260.db2.gz XEYYRKVMYJSRIZ-VLIAUNLRSA-N -1 1 338.407 2.623 20 30 EFEDMM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026254729 472129024 /nfs/dbraw/zinc/12/90/24/472129024.db2.gz KYLBSHBBCHTTIJ-ZETCQYMHSA-N -1 1 325.250 2.751 20 30 EFEDMM 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472458185 /nfs/dbraw/zinc/45/81/85/472458185.db2.gz SXXGZYHUXLKZHM-ZDUSSCGKSA-N -1 1 342.362 2.942 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c2cccnc12 ZINC000129613421 472555137 /nfs/dbraw/zinc/55/51/37/472555137.db2.gz FRESWONMAGIIGN-UHFFFAOYSA-N -1 1 339.376 2.916 20 30 EFEDMM N#Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000155626749 472583905 /nfs/dbraw/zinc/58/39/05/472583905.db2.gz QZBDIVSZWBMTJQ-UHFFFAOYSA-N -1 1 341.798 2.880 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000156202578 472676628 /nfs/dbraw/zinc/67/66/28/472676628.db2.gz ZIXLZSJZGDHTNO-CQSZACIVSA-N -1 1 325.393 2.834 20 30 EFEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)on1 ZINC000157582180 472836881 /nfs/dbraw/zinc/83/68/81/472836881.db2.gz HVPCAASFRYWHEK-UHFFFAOYSA-N -1 1 339.804 2.802 20 30 EFEDMM C[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000064333139 472843831 /nfs/dbraw/zinc/84/38/31/472843831.db2.gz NLGAEYWQSFWZOC-ZDUSSCGKSA-N -1 1 343.408 2.519 20 30 EFEDMM 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473437782 /nfs/dbraw/zinc/43/77/82/473437782.db2.gz LGRBMEDDPMHACI-AWEZNQCLSA-N -1 1 337.351 2.661 20 30 EFEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000178328196 473491382 /nfs/dbraw/zinc/49/13/82/473491382.db2.gz CHVGIFQTFCSCCQ-UHFFFAOYSA-N -1 1 332.381 2.571 20 30 EFEDMM C[C@@H](O)[C@@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)Cc1ccccc1 ZINC000192034374 473612014 /nfs/dbraw/zinc/61/20/14/473612014.db2.gz BNPKZQCOWIHCNJ-JLTOFOAXSA-N -1 1 338.407 2.623 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179025708 473614111 /nfs/dbraw/zinc/61/41/11/473614111.db2.gz TZCKWWCAXQFCOY-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000179025667 473614133 /nfs/dbraw/zinc/61/41/33/473614133.db2.gz FFRHZLBCORROBO-UHFFFAOYSA-N -1 1 344.392 2.829 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1OC ZINC000179028407 473615011 /nfs/dbraw/zinc/61/50/11/473615011.db2.gz KIIPHCUYYXWFEL-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172589756 473652175 /nfs/dbraw/zinc/65/21/75/473652175.db2.gz GRFMEGFKWQWZOM-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C ZINC000172591672 473652327 /nfs/dbraw/zinc/65/23/27/473652327.db2.gz JMKDEDOBHXZRKW-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000179789837 473728073 /nfs/dbraw/zinc/72/80/73/473728073.db2.gz RMXNMGRWUZPWBX-ZDUSSCGKSA-N -1 1 340.427 2.544 20 30 EFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1C ZINC000193357634 473783997 /nfs/dbraw/zinc/78/39/97/473783997.db2.gz KMPHNSWBVZEEEY-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM C=CC[C@@H](CC)NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000281664237 473799999 /nfs/dbraw/zinc/79/99/99/473799999.db2.gz JCWKPAKPICUUHN-OAHLLOKOSA-N -1 1 340.427 2.956 20 30 EFEDMM C=CCCCCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000274721084 473932861 /nfs/dbraw/zinc/93/28/61/473932861.db2.gz 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ZINC000188627774 474146443 /nfs/dbraw/zinc/14/64/43/474146443.db2.gz MIHCIKQOOGXMQW-UHFFFAOYSA-N -1 1 346.390 2.633 20 30 EFEDMM CC(C)(C)c1nc(CCNC(=O)c2ccc(C#N)c([O-])c2)cs1 ZINC000188744350 474182268 /nfs/dbraw/zinc/18/22/68/474182268.db2.gz KKMZNJMZEJONDV-UHFFFAOYSA-N -1 1 329.425 2.990 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1[O-] ZINC000188796527 474199990 /nfs/dbraw/zinc/19/99/90/474199990.db2.gz OEFSTHUILMSCAW-SFHVURJKSA-N -1 1 336.391 2.738 20 30 EFEDMM CC[C@H](C)Oc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccn1 ZINC000189169241 474314184 /nfs/dbraw/zinc/31/41/84/474314184.db2.gz UJMGJQQTGBMRHA-LBPRGKRZSA-N -1 1 325.368 2.766 20 30 EFEDMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)C(F)(F)F ZINC000183305058 474371807 /nfs/dbraw/zinc/37/18/07/474371807.db2.gz SQFBURSPGMPILV-NSHDSACASA-N -1 1 335.351 2.599 20 30 EFEDMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)C(F)(F)F ZINC000183305075 474372484 /nfs/dbraw/zinc/37/24/84/474372484.db2.gz SQFBURSPGMPILV-LLVKDONJSA-N -1 1 335.351 2.599 20 30 EFEDMM C[C@H](C#N)CN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000290035756 474534857 /nfs/dbraw/zinc/53/48/57/474534857.db2.gz WDXHVKUITUZRMM-SECBINFHSA-N -1 1 348.200 2.935 20 30 EFEDMM CC#CCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000190228882 474567068 /nfs/dbraw/zinc/56/70/68/474567068.db2.gz YWSSDFSNHSGIRE-UHFFFAOYSA-N -1 1 343.408 2.632 20 30 EFEDMM C#CCO[N-]C(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000291340520 474600747 /nfs/dbraw/zinc/60/07/47/474600747.db2.gz VVFAGHGZIUPSEJ-ZFWWWQNUSA-N -1 1 332.400 2.570 20 30 EFEDMM N#CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CC1 ZINC000291453784 474604354 /nfs/dbraw/zinc/60/43/54/474604354.db2.gz HIIUNFPUIZPIHT-UHFFFAOYSA-N -1 1 346.184 2.831 20 30 EFEDMM C=CCCCCCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000292958320 474735990 /nfs/dbraw/zinc/73/59/90/474735990.db2.gz CPGCIZUGRFFQHD-UHFFFAOYSA-N -1 1 339.383 2.854 20 30 EFEDMM Cc1ccc2c(=O)c(C(=O)NCC#Cc3cccc(F)c3)c[n-]c2n1 ZINC000338937628 474751557 /nfs/dbraw/zinc/75/15/57/474751557.db2.gz WKWPQUFSEQRTAK-UHFFFAOYSA-N -1 1 335.338 2.564 20 30 EFEDMM Cc1ccc2c([O-])c(C(=O)NCC#Cc3cccc(F)c3)cnc2n1 ZINC000338937628 474751566 /nfs/dbraw/zinc/75/15/66/474751566.db2.gz WKWPQUFSEQRTAK-UHFFFAOYSA-N -1 1 335.338 2.564 20 30 EFEDMM CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000340954447 474814455 /nfs/dbraw/zinc/81/44/55/474814455.db2.gz FTZWOUKAJUSLRG-UHFFFAOYSA-N -1 1 344.411 2.705 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1[N+](=O)[O-] ZINC000326765558 475010833 /nfs/dbraw/zinc/01/08/33/475010833.db2.gz PILQECNKQHCHBD-UHFFFAOYSA-N -1 1 347.352 2.584 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1[O-] ZINC000341462935 475060544 /nfs/dbraw/zinc/06/05/44/475060544.db2.gz RUSUQWNKKPAJSB-ZWKOTPCHSA-N -1 1 336.391 2.502 20 30 EFEDMM C#C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000281093318 475068262 /nfs/dbraw/zinc/06/82/62/475068262.db2.gz PFADWOZOCSWFTN-GFCCVEGCSA-N -1 1 325.206 2.612 20 30 EFEDMM 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/nfs/dbraw/zinc/31/37/91/475313791.db2.gz CHYJFQNWFJXEPS-UHFFFAOYSA-N -1 1 338.738 2.975 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000345678367 475358795 /nfs/dbraw/zinc/35/87/95/475358795.db2.gz TUWGCBHIFQBMRT-UHFFFAOYSA-N -1 1 345.424 2.937 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000345679469 475360160 /nfs/dbraw/zinc/36/01/60/475360160.db2.gz BXSPQDYXPNMROH-UHFFFAOYSA-N -1 1 340.408 2.971 20 30 EFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000337854883 475380056 /nfs/dbraw/zinc/38/00/56/475380056.db2.gz KSFHOULBNFARRS-UHFFFAOYSA-N -1 1 328.393 2.878 20 30 EFEDMM Cc1cnccc1OC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000332141161 475528159 /nfs/dbraw/zinc/52/81/59/475528159.db2.gz RHKMBQOVXRJJAH-UHFFFAOYSA-N -1 1 337.379 2.651 20 30 EFEDMM N#C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(Br)c1 ZINC000339817797 475530731 /nfs/dbraw/zinc/53/07/31/475530731.db2.gz FDRLBAFZUPLVKI-CYBMUJFWSA-N -1 1 332.157 2.544 20 30 EFEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000352731118 475572172 /nfs/dbraw/zinc/57/21/72/475572172.db2.gz RPFPBCWGEYFZPG-UHFFFAOYSA-N -1 1 340.326 2.768 20 30 EFEDMM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000342395412 475594915 /nfs/dbraw/zinc/59/49/15/475594915.db2.gz LZRKMGOVXZUMFA-CQSZACIVSA-N -1 1 348.362 2.933 20 30 EFEDMM COc1ccc([O-])c(S(=O)(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000342788897 475639462 /nfs/dbraw/zinc/63/94/62/475639462.db2.gz YNPSOPGKXBKHMT-UHFFFAOYSA-N -1 1 346.408 2.818 20 30 EFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)ncn3C)c1 ZINC000343006347 475694797 /nfs/dbraw/zinc/69/47/97/475694797.db2.gz DKZHXAQOZILYRQ-UHFFFAOYSA-N -1 1 343.408 2.939 20 30 EFEDMM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344296914 476225804 /nfs/dbraw/zinc/22/58/04/476225804.db2.gz AQCWIVMACKRYJG-CYBMUJFWSA-N -1 1 334.397 2.514 20 30 EFEDMM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000362435453 476245927 /nfs/dbraw/zinc/24/59/27/476245927.db2.gz 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476665259 /nfs/dbraw/zinc/66/52/59/476665259.db2.gz GCAXHKALEYVZOX-ZDUSSCGKSA-N -1 1 331.759 2.645 20 30 EFEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C)cc(C#N)c2)c(=O)[n-]1 ZINC000456975318 476812677 /nfs/dbraw/zinc/81/26/77/476812677.db2.gz ZBSKHUQYQNENCV-UHFFFAOYSA-N -1 1 342.424 2.964 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)[nH]n2)o1 ZINC000446639811 476899423 /nfs/dbraw/zinc/89/94/23/476899423.db2.gz XCDVXFVLUKMJGK-UHFFFAOYSA-N -1 1 342.380 2.959 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)ccc1C#N ZINC000446809843 476922195 /nfs/dbraw/zinc/92/21/95/476922195.db2.gz LDMGWLITDMHHII-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000446820699 476923395 /nfs/dbraw/zinc/92/33/95/476923395.db2.gz GUPCQWLFMPCXPX-UHFFFAOYSA-N -1 1 344.440 2.909 20 30 EFEDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000431192051 476993421 /nfs/dbraw/zinc/99/34/21/476993421.db2.gz KQNSIBOMZGLTIO-UHFFFAOYSA-N -1 1 330.409 2.856 20 30 EFEDMM N#Cc1ccc(C(=O)NCC2(CO)CC(c3ccccc3)C2)cc1[O-] ZINC000447626660 477025903 /nfs/dbraw/zinc/02/59/03/477025903.db2.gz NJQAOKSMYHGRDZ-UHFFFAOYSA-N -1 1 336.391 2.550 20 30 EFEDMM C=CCCCC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000447684387 477037356 /nfs/dbraw/zinc/03/73/56/477037356.db2.gz YYAKRLYIMHPRJM-UHFFFAOYSA-N -1 1 342.399 2.621 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)s1 ZINC000431614751 477062232 /nfs/dbraw/zinc/06/22/32/477062232.db2.gz QZPYKDGCDIOZQI-GFCCVEGCSA-N -1 1 328.365 2.904 20 30 EFEDMM C=CCC(C)(C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000431966394 477130416 /nfs/dbraw/zinc/13/04/16/477130416.db2.gz UVRNWTPBLRPTFI-UHFFFAOYSA-N -1 1 326.418 2.608 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ncc(-c2ccccc2)o1 ZINC000376289501 477270576 /nfs/dbraw/zinc/27/05/76/477270576.db2.gz KSBNXRHEPXPKKE-LLVKDONJSA-N -1 1 343.364 2.846 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)ccc1C#N ZINC000435715940 477356406 /nfs/dbraw/zinc/35/64/06/477356406.db2.gz 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ZINC000436872102 477621416 /nfs/dbraw/zinc/62/14/16/477621416.db2.gz SFXFBMBHYPXIAM-ZDUSSCGKSA-N -1 1 343.770 2.606 20 30 EFEDMM Cc1nc(NC(=O)C(=O)c2ccc([O-])cc2)sc1SCC#N ZINC000436900704 477629940 /nfs/dbraw/zinc/62/99/40/477629940.db2.gz JITFYXDZIAFVEW-UHFFFAOYSA-N -1 1 333.394 2.594 20 30 EFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425195776 477667561 /nfs/dbraw/zinc/66/75/61/477667561.db2.gz VGWPEOFDJGKJJC-BXUZGUMPSA-N -1 1 331.384 2.533 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Br)cc1[O-] ZINC000437478515 477709181 /nfs/dbraw/zinc/70/91/81/477709181.db2.gz VQTLXBNAGXEIAN-HZMBPMFUSA-N -1 1 340.217 2.866 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)o1 ZINC000367888107 477736708 /nfs/dbraw/zinc/73/67/08/477736708.db2.gz ARBLNKJUMLSJGK-KRWDZBQOSA-N -1 1 339.376 2.614 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1C ZINC000427250416 477769954 /nfs/dbraw/zinc/76/99/54/477769954.db2.gz OUZMLVWUCBGRAK-UHFFFAOYSA-N -1 1 348.355 2.593 20 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ZINC000526947290 478407175 /nfs/dbraw/zinc/40/71/75/478407175.db2.gz QUFQGJQSDYZAKK-UHFFFAOYSA-N -1 1 330.384 2.648 20 30 EFEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1)C1CCCC1 ZINC000594725780 478515789 /nfs/dbraw/zinc/51/57/89/478515789.db2.gz JWTFLZBCHPBLLI-HNNXBMFYSA-N -1 1 326.393 2.644 20 30 EFEDMM CCOc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000591329137 478524286 /nfs/dbraw/zinc/52/42/86/478524286.db2.gz ZPFRAZVUMAKTPJ-CYBMUJFWSA-N -1 1 348.424 2.707 20 30 EFEDMM CCc1nc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[n-]c(=O)c1C ZINC000594905313 478579666 /nfs/dbraw/zinc/57/96/66/478579666.db2.gz ZFCWFJRALJRDTJ-BZNIZROVSA-N -1 1 336.461 2.588 20 30 EFEDMM C#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000491679189 478629195 /nfs/dbraw/zinc/62/91/95/478629195.db2.gz DGVXUKRORPFYJP-UHFFFAOYSA-N -1 1 342.420 2.501 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000496300794 478645813 /nfs/dbraw/zinc/64/58/13/478645813.db2.gz DMMJBVRZCFOTTI-AWEZNQCLSA-N -1 1 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C=CCn1c(CC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000669802932 481316146 /nfs/dbraw/zinc/31/61/46/481316146.db2.gz XBQMFGFVBIMHEW-UHFFFAOYSA-N -1 1 340.427 2.831 20 30 EFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc4c3OCCCO4)nc1-2 ZINC000651302115 481692165 /nfs/dbraw/zinc/69/21/65/481692165.db2.gz ZKISYGIWGLXVDE-ZDUSSCGKSA-N -1 1 348.362 2.918 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000077687422 519727133 /nfs/dbraw/zinc/72/71/33/519727133.db2.gz KJLJCJONSKWBQD-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1CO ZINC000073353716 521130592 /nfs/dbraw/zinc/13/05/92/521130592.db2.gz SXWKBPJMCDIQMD-UHFFFAOYSA-N -1 1 346.408 2.559 20 30 EFEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000067124405 521743064 /nfs/dbraw/zinc/74/30/64/521743064.db2.gz WYSNKGHCYUPWSD-UHFFFAOYSA-N -1 1 344.396 2.500 20 30 EFEDMM C=CC[C@@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230895302 534886718 /nfs/dbraw/zinc/88/67/18/534886718.db2.gz 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536012022 /nfs/dbraw/zinc/01/20/22/536012022.db2.gz LVVIDPMCHVJCLO-UHFFFAOYSA-N -1 1 348.409 2.966 20 30 EFEDMM CC(C)(CC#N)CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000656369865 546782664 /nfs/dbraw/zinc/78/26/64/546782664.db2.gz UJBXUEYJTRHFQB-UHFFFAOYSA-N -1 1 343.427 2.936 20 30 EFEDMM COc1ccccc1C1N=NC(=S)N1N=Cc1cccc(F)c1[O-] ZINC000755518830 575594607 /nfs/dbraw/zinc/59/46/07/575594607.db2.gz FPKZLRLXKHXFNZ-UHFFFAOYSA-N -1 1 344.371 2.969 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C[C@@H]2C[C@H]2c2ccccc2)c2ccccc21 ZINC000755640227 575612141 /nfs/dbraw/zinc/61/21/41/575612141.db2.gz MCMYMIBSUFHFKW-ZFWWWQNUSA-N -1 1 325.393 2.515 20 30 EFEDMM CC(C)CCn1cccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000755641416 575612320 /nfs/dbraw/zinc/61/23/20/575612320.db2.gz XNCBRALTNHSTPV-UHFFFAOYSA-N -1 1 344.440 2.607 20 30 EFEDMM COCCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756899347 575798594 /nfs/dbraw/zinc/79/85/94/575798594.db2.gz XLZZMFDPIFGXTL-UHFFFAOYSA-N -1 1 344.367 2.865 20 30 EFEDMM CC(=NNS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000757460885 575839649 /nfs/dbraw/zinc/83/96/49/575839649.db2.gz HWRHBEWVMBHFHV-UHFFFAOYSA-N -1 1 340.351 2.514 20 30 EFEDMM CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cc(F)cc(F)c1[O-] ZINC000757451245 575839698 /nfs/dbraw/zinc/83/96/98/575839698.db2.gz LPIOIKSIKGPCMC-UHFFFAOYSA-N -1 1 340.351 2.681 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccccc2-n2cncn2)c1 ZINC000757473809 575840425 /nfs/dbraw/zinc/84/04/25/575840425.db2.gz PWYBOGZFVCJYPQ-ALCCZGGFSA-N -1 1 335.319 2.567 20 30 EFEDMM O=c1[n-]c(N=NC2CCC(O)(C(F)(F)F)CC2)nc2ccccc12 ZINC000757584484 575843473 /nfs/dbraw/zinc/84/34/73/575843473.db2.gz XTLCLRABAXUSDQ-UHFFFAOYSA-N -1 1 340.305 2.971 20 30 EFEDMM CC(=NNc1ccc(C(F)(F)F)nn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758119655 575860271 /nfs/dbraw/zinc/86/02/71/575860271.db2.gz NXQLJQGTIJPHGI-UHFFFAOYSA-N -1 1 341.249 2.945 20 30 EFEDMM COC(=O)[C@@H](C)Oc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1 ZINC000758431262 575869565 /nfs/dbraw/zinc/86/95/65/575869565.db2.gz WBFKELIXCWICEG-JWHLFPLYSA-N -1 1 340.331 2.949 20 30 EFEDMM C#CCC(C)(C)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000760271823 575997723 /nfs/dbraw/zinc/99/77/23/575997723.db2.gz GAVWNUJBIROLRI-UHFFFAOYSA-N -1 1 341.429 2.563 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)nc2Cl)c(=O)o1 ZINC000761475156 576167710 /nfs/dbraw/zinc/16/77/10/576167710.db2.gz MVHDFGYVQXVVEN-KMOQFTEPSA-N -1 1 326.135 2.617 20 30 EFEDMM C[C@@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)c1cccc(Cl)c1 ZINC000763362909 576374167 /nfs/dbraw/zinc/37/41/67/576374167.db2.gz IJNVQJARUHJGPO-VIFPVBQESA-N -1 1 330.779 2.924 20 30 EFEDMM C[C@@H]1CC(C)(C)CC1=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000766025255 577099465 /nfs/dbraw/zinc/09/94/65/577099465.db2.gz JYPSBBIDWOOODZ-SNVBAGLBSA-N -1 1 325.390 2.685 20 30 EFEDMM CC1(C)CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)[C@H]1C#N ZINC000766110991 577109381 /nfs/dbraw/zinc/10/93/81/577109381.db2.gz HZXJLDNMJVYTJY-ZDUSSCGKSA-N -1 1 328.445 2.974 20 30 EFEDMM Cc1cc(C=Nn2c(=O)cn[n-]c2=S)c(C)n1C1CCCCC1 ZINC000766473836 577155417 /nfs/dbraw/zinc/15/54/17/577155417.db2.gz IAELYTMZDFUULR-UHFFFAOYSA-N -1 1 331.445 2.733 20 30 EFEDMM Cc1cc(F)ccc1-c1ccc(C=Nn2c(=O)cn[n-]c2=S)o1 ZINC000766475667 577155798 /nfs/dbraw/zinc/15/57/98/577155798.db2.gz VROHXRPSGLYPJO-UHFFFAOYSA-N -1 1 330.344 2.517 20 30 EFEDMM COc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)nc1Cl ZINC000766845565 577184783 /nfs/dbraw/zinc/18/47/83/577184783.db2.gz DSEGECCHKVBKEI-SNVBAGLBSA-N -1 1 345.790 2.552 20 30 EFEDMM CN(Cc1ccc(OCC#N)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000767954621 577245042 /nfs/dbraw/zinc/24/50/42/577245042.db2.gz HGIHLQUJTVWFOR-UHFFFAOYSA-N -1 1 340.408 2.931 20 30 EFEDMM COc1cccc([C@@H](C#N)NC(=O)c2ccc([O-])c(F)c2)c1OC ZINC000767962561 577245433 /nfs/dbraw/zinc/24/54/33/577245433.db2.gz JSVIMRWOCOJAAI-CYBMUJFWSA-N -1 1 330.315 2.543 20 30 EFEDMM C#CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768864810 577311442 /nfs/dbraw/zinc/31/14/42/577311442.db2.gz CGMYJXUZSYCEFY-ZDUSSCGKSA-N -1 1 336.394 2.699 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cn(C)nc1C(C)(C)C ZINC000769585180 577373492 /nfs/dbraw/zinc/37/34/92/577373492.db2.gz LTHBPEIMWHMWDK-UHFFFAOYSA-N -1 1 330.388 2.870 20 30 EFEDMM COc1ccc2c(c1)C(=NN=c1[n-]c(-c3ccccc3)no1)C(=O)N2 ZINC000726739629 577383288 /nfs/dbraw/zinc/38/32/88/577383288.db2.gz PFHFZCKLTLOREV-UHFFFAOYSA-N -1 1 335.323 2.514 20 30 EFEDMM COc1ccc2c(c1)C(=NN=c1nc(-c3ccccc3)[n-]o1)C(=O)N2 ZINC000726739629 577383291 /nfs/dbraw/zinc/38/32/91/577383291.db2.gz PFHFZCKLTLOREV-UHFFFAOYSA-N -1 1 335.323 2.514 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC[C@@H]1c1ccccc1 ZINC000769790007 577385373 /nfs/dbraw/zinc/38/53/73/577385373.db2.gz KFZXNCJQGQPIBC-CYBMUJFWSA-N -1 1 345.380 2.807 20 30 EFEDMM C[C@@H]1CCc2c(F)cccc2C1N=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769808186 577386919 /nfs/dbraw/zinc/38/69/19/577386919.db2.gz CJYCYVRSXHXKGB-SECBINFHSA-N -1 1 340.362 2.607 20 30 EFEDMM CCCOc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769808701 577386952 /nfs/dbraw/zinc/38/69/52/577386952.db2.gz NBUGKHVQEVZVSO-UHFFFAOYSA-N -1 1 340.387 2.694 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNc3ccc(F)c([N+](=O)[O-])c3)n[nH]c2c1 ZINC000769828505 577388157 /nfs/dbraw/zinc/38/81/57/577388157.db2.gz JAYWPYDLCAPQHM-UHFFFAOYSA-N -1 1 343.274 2.754 20 30 EFEDMM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000770376170 577413632 /nfs/dbraw/zinc/41/36/32/577413632.db2.gz AKROAPARXGRHNE-ZCFIWIBFSA-N -1 1 342.667 2.854 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cscc1Cl ZINC000771878381 581254032 /nfs/dbraw/zinc/25/40/32/581254032.db2.gz AIIKVEYIKCRSOA-UHFFFAOYSA-N -1 1 345.789 2.622 20 30 EFEDMM O=C([O-])COc1cccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000772795984 581369472 /nfs/dbraw/zinc/36/94/72/581369472.db2.gz GHAORTZDCKHIGM-DAXSKMNVSA-N -1 1 343.291 2.660 20 30 EFEDMM COc1c([O-])c(C=NNc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000772990975 581386161 /nfs/dbraw/zinc/38/61/61/581386161.db2.gz QEPHCURKEWJNIC-UHFFFAOYSA-N -1 1 332.272 2.663 20 30 EFEDMM COc1c([O-])c(C=NN=c2[nH]c3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000773055743 581391569 /nfs/dbraw/zinc/39/15/69/581391569.db2.gz UJTZJKNIPJHFCA-UHFFFAOYSA-N -1 1 341.327 2.642 20 30 EFEDMM COc1c([O-])c(C=NNc2cc(C#N)cc(Cl)n2)ccc1[N+](=O)[O-] ZINC000773078919 581394460 /nfs/dbraw/zinc/39/44/60/581394460.db2.gz HUWMXWOKYRCXMS-UHFFFAOYSA-N -1 1 347.718 2.675 20 30 EFEDMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1cccc(C#N)c1 ZINC000773564679 581446066 /nfs/dbraw/zinc/44/60/66/581446066.db2.gz GTWODSDECLQQKL-JTQLQIEISA-N -1 1 328.299 2.587 20 30 EFEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773849244 581469472 /nfs/dbraw/zinc/46/94/72/581469472.db2.gz BYSBSXGHVSTJSC-UHFFFAOYSA-N -1 1 342.399 2.986 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)c1 ZINC000774044356 581480078 /nfs/dbraw/zinc/48/00/78/581480078.db2.gz UTUQCTADSQATPN-CYBMUJFWSA-N -1 1 329.381 2.730 20 30 EFEDMM FC(F)(F)Oc1ccc(NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822718690 599335267 /nfs/dbraw/zinc/33/52/67/599335267.db2.gz OYCQABMIOCGRLL-UHFFFAOYSA-N -1 1 338.249 2.804 20 30 EFEDMM FC(F)(F)Oc1ccc(NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822718690 599335270 /nfs/dbraw/zinc/33/52/70/599335270.db2.gz OYCQABMIOCGRLL-UHFFFAOYSA-N -1 1 338.249 2.804 20 30 EFEDMM N#Cc1ccccc1N1CCCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000739146630 599847433 /nfs/dbraw/zinc/84/74/33/599847433.db2.gz IWSRDXMEBUVVQS-UHFFFAOYSA-N -1 1 325.368 2.562 20 30 EFEDMM N#CCCCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000739069158 599847488 /nfs/dbraw/zinc/84/74/88/599847488.db2.gz MBETZLKTTGRGPA-MRXNPFEDSA-N -1 1 335.835 2.777 20 30 EFEDMM O=C([O-])c1ccc(O)c(C=NNc2ncccc2C(F)(F)F)c1 ZINC000740161971 599907433 /nfs/dbraw/zinc/90/74/33/599907433.db2.gz WGJFUPXPQPTKCM-UHFFFAOYSA-N -1 1 325.246 2.950 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000737506226 600100449 /nfs/dbraw/zinc/10/04/49/600100449.db2.gz MWYLLZUVLWTQSP-JVVDOCDTSA-N -1 1 342.439 2.664 20 30 EFEDMM C[C@H](CN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC000736544704 600375334 /nfs/dbraw/zinc/37/53/34/600375334.db2.gz JRTRUMCOWRMESA-OLZOCXBDSA-N -1 1 349.456 2.672 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(OCC(=O)[O-])c3)[nH]c21 ZINC000738746688 600519610 /nfs/dbraw/zinc/51/96/10/600519610.db2.gz KAFVUEIYCMWBAG-AWEZNQCLSA-N -1 1 349.346 2.825 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(OCC(=O)[O-])cc3)[nH]c21 ZINC000738745944 600519652 /nfs/dbraw/zinc/51/96/52/600519652.db2.gz ABIDEJIYVNQQOM-CQSZACIVSA-N -1 1 349.346 2.825 20 30 EFEDMM N#Cc1ccc([C@@H](NCc2cnn(-c3ccccc3)c2)C(=O)[O-])cc1 ZINC000739105825 600592579 /nfs/dbraw/zinc/59/25/79/600592579.db2.gz JFRCIGQKHDJOIX-GOSISDBHSA-N -1 1 332.363 2.659 20 30 EFEDMM N#Cc1ccc([C@@H](OC(=O)c2cc(-c3ccco3)n[nH]2)C(=O)[O-])cc1 ZINC000739115016 600610438 /nfs/dbraw/zinc/61/04/38/600610438.db2.gz MVKFZTTZDFLOBL-OAHLLOKOSA-N -1 1 337.291 2.524 20 30 EFEDMM C[C@@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)N(C)C ZINC000832803092 601409066 /nfs/dbraw/zinc/40/90/66/601409066.db2.gz DZYGPQXZEBACHV-AWEZNQCLSA-N -1 1 336.391 2.673 20 30 EFEDMM C[C@@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C[C@@H]1C(=O)[O-] ZINC000828432591 601506820 /nfs/dbraw/zinc/50/68/20/601506820.db2.gz NYYIETWGJXJGBJ-WTFHGKHBSA-N -1 1 342.439 2.520 20 30 EFEDMM C=CCn1c2ccccc2n(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825705829 601816797 /nfs/dbraw/zinc/81/67/97/601816797.db2.gz SUAJIKIBLXECKK-CHWSQXEVSA-N -1 1 331.441 2.968 20 30 EFEDMM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1)C(=O)[O-] ZINC000794701152 602112236 /nfs/dbraw/zinc/11/22/36/602112236.db2.gz LDMCVRQCFWKXNI-NJHLSQGMSA-N -1 1 328.320 2.846 20 30 EFEDMM N#Cc1ccccc1COc1cccc(CNC2CN(C(=O)[O-])C2)c1 ZINC000833074821 604420973 /nfs/dbraw/zinc/42/09/73/604420973.db2.gz FETSVZQYWYDOEY-UHFFFAOYSA-N -1 1 337.379 2.589 20 30 EFEDMM N#CCCN(C(=O)CN1CCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833760152 604970302 /nfs/dbraw/zinc/97/03/02/604970302.db2.gz HOSAWMSWZFFTGF-AWEZNQCLSA-N -1 1 349.818 2.526 20 30 EFEDMM C[C@H]1CC(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)=NO1 ZINC000833600546 605087592 /nfs/dbraw/zinc/08/75/92/605087592.db2.gz LSEVSEDKAYIUOF-LURJTMIESA-N -1 1 331.250 2.647 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821770494 606387182 /nfs/dbraw/zinc/38/71/82/606387182.db2.gz VLFPTIKCRQKXFA-DAXSKMNVSA-N -1 1 342.380 2.842 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000821849306 606390557 /nfs/dbraw/zinc/39/05/57/606390557.db2.gz CPJKNRWJLABACJ-TWGQIWQCSA-N -1 1 340.364 2.596 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1C ZINC000821566703 606390632 /nfs/dbraw/zinc/39/06/32/606390632.db2.gz QEKVFFOSDNYGMM-FNORWQNLSA-N -1 1 328.401 2.658 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000822829875 606491193 /nfs/dbraw/zinc/49/11/93/606491193.db2.gz NDDASBYIUOVPEZ-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000822829875 606491195 /nfs/dbraw/zinc/49/11/95/606491195.db2.gz NDDASBYIUOVPEZ-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM COc1ccsc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821911007 606989398 /nfs/dbraw/zinc/98/93/98/606989398.db2.gz LDRGTRUBRYASHS-UHFFFAOYSA-N -1 1 347.404 2.668 20 30 EFEDMM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953678 608091844 /nfs/dbraw/zinc/09/18/44/608091844.db2.gz LNTZKIUJZRBNFW-UHFFFAOYSA-N -1 1 343.441 2.639 20 30 EFEDMM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823999436 608093582 /nfs/dbraw/zinc/09/35/82/608093582.db2.gz AFLBPWMCRWWXJX-QPJJXVBHSA-N -1 1 339.380 2.783 20 30 EFEDMM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823999436 608093583 /nfs/dbraw/zinc/09/35/83/608093583.db2.gz AFLBPWMCRWWXJX-QPJJXVBHSA-N -1 1 339.380 2.783 20 30 EFEDMM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826176815 608230819 /nfs/dbraw/zinc/23/08/19/608230819.db2.gz FRJUNDJGQSOEHV-ZZXKWVIFSA-N -1 1 330.344 2.972 20 30 EFEDMM N#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826382260 609494234 /nfs/dbraw/zinc/49/42/34/609494234.db2.gz VWUXLRVMDSYHDF-UHFFFAOYSA-N -1 1 330.348 2.582 20 30 EFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2c(Cl)cnn2C)cc1 ZINC000850761051 1250600359 /nfs/dbraw/zinc/60/03/59/1250600359.db2.gz ZPKNGGJCVYRSSK-LBPRGKRZSA-N -1 1 330.775 2.597 20 30 EFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841543149 1251434962 /nfs/dbraw/zinc/43/49/62/1251434962.db2.gz XQVXJEBPPUWRTF-UHFFFAOYSA-N -1 1 349.771 2.605 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(F)c([O-])c(F)c2)C1=O ZINC001272785191 1258029400 /nfs/dbraw/zinc/02/94/00/1258029400.db2.gz XOOBMDUCZOOOKQ-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062315651 1260422196 /nfs/dbraw/zinc/42/21/96/1260422196.db2.gz BXVQOYOMKNIONS-HUUCEWRRSA-N -1 1 345.443 2.500 20 30 EFEDMM N#CCCCN1CC[C@@]2(CCCN2Cc2c(F)ccc(F)c2[O-])C1=O ZINC001273205958 1263258004 /nfs/dbraw/zinc/25/80/04/1263258004.db2.gz GKZHLMHZIHSWOI-SFHVURJKSA-N -1 1 349.381 2.541 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2Cc2c(F)ccc(F)c2[O-])C1=O ZINC001273207092 1263357951 /nfs/dbraw/zinc/35/79/51/1263357951.db2.gz XWYKBFSFDOIYEZ-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM C=CCOCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000729890610 1264100469 /nfs/dbraw/zinc/10/04/69/1264100469.db2.gz LJSGCWOVRCNKHL-LLVKDONJSA-N -1 1 343.408 2.655 20 30 EFEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000730204255 1264245759 /nfs/dbraw/zinc/24/57/59/1264245759.db2.gz MYUPZYZEPOHMTP-UHFFFAOYSA-N -1 1 342.355 2.684 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000730996461 1264508979 /nfs/dbraw/zinc/50/89/79/1264508979.db2.gz RJHQIOFWBOHWQH-UHFFFAOYSA-N -1 1 346.364 2.716 20 30 EFEDMM CN(C)[C@H](C(=O)N([O-])C(=N)c1ccccc1N)c1ccccc1Cl ZINC001143616266 1264869630 /nfs/dbraw/zinc/86/96/30/1264869630.db2.gz LRJBEKSPMMSENG-HNNXBMFYSA-N -1 1 346.818 2.768 20 30 EFEDMM O=C([O-])COc1cccc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000733203752 1265111100 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/nfs/dbraw/zinc/74/67/51/1292746751.db2.gz IJYPWGMOAIIELQ-UHFFFAOYSA-N -1 1 339.631 2.794 20 30 EFEDMM N#Cc1ccc(C(=O)[N-]c2noc3nccnc23)c(C(F)(F)F)c1 ZINC001192077627 1292760843 /nfs/dbraw/zinc/76/08/43/1292760843.db2.gz PFBYCOXPEQHGAK-UHFFFAOYSA-N -1 1 333.229 2.761 20 30 EFEDMM C#Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)cc1 ZINC001192267015 1292850136 /nfs/dbraw/zinc/85/01/36/1292850136.db2.gz PFDOWKYFWCFSCD-UHFFFAOYSA-N -1 1 339.376 2.827 20 30 EFEDMM N#CCS(=O)(=O)[N-]c1cc(Cl)c(F)cc1Br ZINC001192928524 1293112201 /nfs/dbraw/zinc/11/22/01/1293112201.db2.gz CWRZHBUGWSVQMW-UHFFFAOYSA-N -1 1 327.562 2.507 20 30 EFEDMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC001193057484 1293163723 /nfs/dbraw/zinc/16/37/23/1293163723.db2.gz HGNBWOWYQSJADJ-UHFFFAOYSA-N -1 1 338.429 2.571 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC001193146450 1293186118 /nfs/dbraw/zinc/18/61/18/1293186118.db2.gz MXRXFOWDWHDJOZ-LBPRGKRZSA-N -1 1 329.381 2.593 20 30 EFEDMM CCOC(=O)C(F)(F)[C@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799046 1312994942 /nfs/dbraw/zinc/99/49/42/1312994942.db2.gz DNTVBLZALPZKAF-VVSAQIQQSA-N -1 1 331.315 2.859 20 30 EFEDMM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233803850 1312996724 /nfs/dbraw/zinc/99/67/24/1312996724.db2.gz SUXKDJOIPILNOY-BRFSQIRFSA-N -1 1 349.459 2.695 20 30 EFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C)nc2Cl)c1 ZINC001193644626 1293383840 /nfs/dbraw/zinc/38/38/40/1293383840.db2.gz LWSJCDMHCCHOSV-UHFFFAOYSA-N -1 1 337.788 2.725 20 30 EFEDMM N#Cc1cccc(C(=O)N(Cc2cnc[nH]2)Cc2ccccc2)c1[O-] ZINC001193646117 1293391085 /nfs/dbraw/zinc/39/10/85/1293391085.db2.gz CJPDHHQMIOBWNK-UHFFFAOYSA-N -1 1 332.363 2.830 20 30 EFEDMM COc1cc(Br)c([O-])c(NC(=O)c2cncc(C#N)c2)c1 ZINC001194114217 1293521640 /nfs/dbraw/zinc/52/16/40/1293521640.db2.gz OTYVSRQDFWYDJE-UHFFFAOYSA-N -1 1 348.156 2.682 20 30 EFEDMM COc1cc([N-]S(=O)(=O)Cc2noc3ccccc23)ccc1C#N ZINC001194094940 1293530017 /nfs/dbraw/zinc/53/00/17/1293530017.db2.gz 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345.358 2.726 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccn2ccnc12 ZINC001196647569 1294318428 /nfs/dbraw/zinc/31/84/28/1294318428.db2.gz IGQSWSLIRXBZRK-UHFFFAOYSA-N -1 1 332.772 2.660 20 30 EFEDMM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1F ZINC001197030752 1294444608 /nfs/dbraw/zinc/44/46/08/1294444608.db2.gz GEVULQWJYGTGFL-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM COC(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2OCC#N)[n-]1 ZINC000796346268 1294522375 /nfs/dbraw/zinc/52/23/75/1294522375.db2.gz SZODUXKYZVCLGK-UHFFFAOYSA-N -1 1 348.742 2.714 20 30 EFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000136597981 1294677056 /nfs/dbraw/zinc/67/70/56/1294677056.db2.gz AQCXSEUFBRICFB-LBPRGKRZSA-N -1 1 329.381 2.559 20 30 EFEDMM COC(=O)c1ccc(NC(=S)Nc2cccc(C#N)c2)c([O-])c1 ZINC001197712695 1294684952 /nfs/dbraw/zinc/68/49/52/1294684952.db2.gz SIVIRZKMUIJYOB-UHFFFAOYSA-N -1 1 327.365 2.859 20 30 EFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(F)c1 ZINC000137456813 1294785338 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C=CC[C@H](Oc1c(C(N)=O)nc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC001234475573 1313136662 /nfs/dbraw/zinc/13/66/62/1313136662.db2.gz BXTGMXSSGNUHBZ-LBPRGKRZSA-N -1 1 333.775 2.939 20 30 EFEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnc(OC2CCC2)cn1 ZINC001199148205 1295434074 /nfs/dbraw/zinc/43/40/74/1295434074.db2.gz CAPLJWFBZBIWRU-UHFFFAOYSA-N -1 1 330.294 2.810 20 30 EFEDMM N#Cc1ccc(NC(=O)c2nccn2Cc2ccccc2F)c([O-])c1 ZINC001199468231 1295531693 /nfs/dbraw/zinc/53/16/93/1295531693.db2.gz QCQZDFYVTVVLAW-UHFFFAOYSA-N -1 1 336.326 2.900 20 30 EFEDMM Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001199785749 1295750189 /nfs/dbraw/zinc/75/01/89/1295750189.db2.gz VSXUWCMAHWHMJA-UHFFFAOYSA-N -1 1 337.257 2.944 20 30 EFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201058769 1296540821 /nfs/dbraw/zinc/54/08/21/1296540821.db2.gz BPZXXUYRHVGNGC-SECBINFHSA-N -1 1 349.225 2.805 20 30 EFEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201046831 1296562431 /nfs/dbraw/zinc/56/24/31/1296562431.db2.gz QFBPUIVELYZVHI-GFCCVEGCSA-N -1 1 334.210 2.668 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccnc2)cc1C#N ZINC001201288153 1296682079 /nfs/dbraw/zinc/68/20/79/1296682079.db2.gz VUBZXYACHVIDMP-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM Cc1cc2c([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)cccc2nn1 ZINC001201317508 1296723515 /nfs/dbraw/zinc/72/35/15/1296723515.db2.gz UEDDVFBZZKPCQB-UHFFFAOYSA-N -1 1 338.392 2.919 20 30 EFEDMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201317400 1296724137 /nfs/dbraw/zinc/72/41/37/1296724137.db2.gz RRVQMZVUTNESDC-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3OCCO3)cc2)cc1C#N ZINC001201316922 1296724424 /nfs/dbraw/zinc/72/44/24/1296724424.db2.gz HZTOAFQIUUIXIX-UHFFFAOYSA-N -1 1 344.392 2.713 20 30 EFEDMM COCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201323002 1296727456 /nfs/dbraw/zinc/72/74/56/1296727456.db2.gz WIAWBQZJXRAHJC-UHFFFAOYSA-N -1 1 332.381 2.650 20 30 EFEDMM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C[N@H+](C)CC3)cc1C#N ZINC001201323474 1296727830 /nfs/dbraw/zinc/72/78/30/1296727830.db2.gz GFFIRDYWCKOIQL-UHFFFAOYSA-N -1 1 341.436 2.655 20 30 EFEDMM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201323027 1296728172 /nfs/dbraw/zinc/72/81/72/1296728172.db2.gz XEYKVRGPCINTBA-UHFFFAOYSA-N -1 1 327.365 2.548 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C12CCC(C#N)(CC1)CC2 ZINC001201764446 1297061881 /nfs/dbraw/zinc/06/18/81/1297061881.db2.gz NUAAORCMWUSTIQ-UHFFFAOYSA-N -1 1 345.877 3.000 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCN(Cc3ccccn3)CC2)c1 ZINC000044012067 1297710049 /nfs/dbraw/zinc/71/00/49/1297710049.db2.gz LKGOSVGMDVMVAI-UDWIEESQSA-N -1 1 340.383 2.779 20 30 EFEDMM CC(C)Oc1ccc([C@@H](O)CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776349158 1297927696 /nfs/dbraw/zinc/92/76/96/1297927696.db2.gz GHPVDLJBUNOSQV-SFHVURJKSA-N -1 1 340.379 2.514 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000108250433 1298493332 /nfs/dbraw/zinc/49/33/32/1298493332.db2.gz NPYOGNFHSGKAIR-UHFFFAOYSA-N -1 1 346.364 2.716 20 30 EFEDMM COC(=O)C1(C#N)CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236805724 1313532472 /nfs/dbraw/zinc/53/24/72/1313532472.db2.gz ZYNXDXIGBDNFNU-UHFFFAOYSA-N -1 1 343.210 2.978 20 30 EFEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000779847824 1298963977 /nfs/dbraw/zinc/96/39/77/1298963977.db2.gz FMEMESNVQOAJRN-CQSZACIVSA-N -1 1 330.409 2.962 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCN2Cc2ccccc2)c1 ZINC000852999235 1299963591 /nfs/dbraw/zinc/96/35/91/1299963591.db2.gz YVDBRWPLINOORP-HDZGYNCQSA-N -1 1 325.368 2.994 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000088534817 1300540902 /nfs/dbraw/zinc/54/09/02/1300540902.db2.gz AXBDHDHRMWANHE-UHFFFAOYSA-N -1 1 340.404 2.698 20 30 EFEDMM N#C[C@H]1CCCCN1Cc1cccc(I)c1[O-] ZINC001237780327 1313705100 /nfs/dbraw/zinc/70/51/00/1313705100.db2.gz OAKLBSMSJHZBCC-LLVKDONJSA-N -1 1 342.180 2.875 20 30 EFEDMM C[C@]1(C#N)CCN(Cc2cccc(I)c2[O-])C1 ZINC001237788826 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COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001362117043 1336510544 /nfs/dbraw/zinc/51/05/44/1336510544.db2.gz GRWHUJRXFZTSIJ-UHFFFAOYSA-N -1 1 328.343 2.692 20 30 EFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](CO)c1ccc(Cl)cc1 ZINC001363028955 1336765459 /nfs/dbraw/zinc/76/54/59/1336765459.db2.gz DKNATQTYAZKVMV-OAHLLOKOSA-N -1 1 330.771 2.723 20 30 EFEDMM N#Cc1ccc(CCNC(=O)c2cc(Br)ccc2[O-])cc1 ZINC001363055945 1336768019 /nfs/dbraw/zinc/76/80/19/1336768019.db2.gz VGZPCRYIGPXCQA-UHFFFAOYSA-N -1 1 345.196 2.999 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1[O-] ZINC001363164613 1336812506 /nfs/dbraw/zinc/81/25/06/1336812506.db2.gz KZUJJOZPJQUQLE-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cccc3c2OC(F)(F)O3)cc1[O-] ZINC001363317657 1336872309 /nfs/dbraw/zinc/87/23/09/1336872309.db2.gz NKMXUXKHWGFKQV-UHFFFAOYSA-N -1 1 332.262 2.515 20 30 EFEDMM CSc1nc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)cc(=O)[n-]1 ZINC001475884599 1397466767 /nfs/dbraw/zinc/46/67/67/1397466767.db2.gz SCGWFXVHOYQTOE-UHFFFAOYSA-N -1 1 349.803 2.751 20 30 EFEDMM CC(C)CCN(CCC#N)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820076367 1428438777 /nfs/dbraw/zinc/43/87/77/1428438777.db2.gz ITWDBOALZIUNDX-UHFFFAOYSA-N -1 1 345.382 2.799 20 30 EFEDMM Cc1cc(C)c2c(c1)OCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822195540 1428715697 /nfs/dbraw/zinc/71/56/97/1428715697.db2.gz VGDKLPARXIZJSJ-UHFFFAOYSA-N -1 1 348.410 2.760 20 30 EFEDMM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953808 1428831763 /nfs/dbraw/zinc/83/17/63/1428831763.db2.gz RANHJWAPGRYTGM-UHFFFAOYSA-N -1 1 346.316 2.798 20 30 EFEDMM C[C@@H](C#N)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819857490 1428918524 /nfs/dbraw/zinc/91/85/24/1428918524.db2.gz RZWUWARLEPGEDR-LBPRGKRZSA-N -1 1 349.350 2.975 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)n21 ZINC000826305479 1428920243 /nfs/dbraw/zinc/92/02/43/1428920243.db2.gz XYUQSOQRHGAGII-AATRIKPKSA-N -1 1 336.380 2.780 20 30 EFEDMM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)s3)nc21 ZINC000822333135 1429240094 /nfs/dbraw/zinc/24/00/94/1429240094.db2.gz YAPSMRDZRKXWHR-VIFPVBQESA-N -1 1 349.379 2.603 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)s3)[nH]c21 ZINC000822333135 1429240101 /nfs/dbraw/zinc/24/01/01/1429240101.db2.gz YAPSMRDZRKXWHR-VIFPVBQESA-N -1 1 349.379 2.603 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)s3)[nH]c21 ZINC000822333135 1429240109 /nfs/dbraw/zinc/24/01/09/1429240109.db2.gz YAPSMRDZRKXWHR-VIFPVBQESA-N -1 1 349.379 2.603 20 30 EFEDMM CCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000821304552 1429319855 /nfs/dbraw/zinc/31/98/55/1429319855.db2.gz KMGGGOFQOFDOKC-UHFFFAOYSA-N -1 1 347.382 2.617 20 30 EFEDMM C=CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735403208 1429418458 /nfs/dbraw/zinc/41/84/58/1429418458.db2.gz RIMNUKXYXZPSQB-UHFFFAOYSA-N -1 1 332.795 2.950 20 30 EFEDMM CCc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)o1 ZINC000821477073 1429452882 /nfs/dbraw/zinc/45/28/82/1429452882.db2.gz XJOUCFYGXKMRKF-UHFFFAOYSA-N -1 1 329.364 2.970 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000735418183 1429613944 /nfs/dbraw/zinc/61/39/44/1429613944.db2.gz CUVFFLPGADPYAM-CZUORRHYSA-N -1 1 340.431 2.753 20 30 EFEDMM Cc1c(NC(=O)N(C)Cc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822075649 1423515576 /nfs/dbraw/zinc/51/55/76/1423515576.db2.gz GYMCCLQMTAQPAO-UHFFFAOYSA-N -1 1 347.382 2.711 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000736676967 1423699971 /nfs/dbraw/zinc/69/99/71/1423699971.db2.gz XHLADDZFBKJSFS-UHFFFAOYSA-N -1 1 338.396 2.923 20 30 EFEDMM C[C@H](C#N)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819857231 1429667977 /nfs/dbraw/zinc/66/79/77/1429667977.db2.gz PRJJBFWPALHQOM-GFCCVEGCSA-N -1 1 333.351 2.850 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(O)cc(O)c1 ZINC000823958304 1423989335 /nfs/dbraw/zinc/98/93/35/1423989335.db2.gz IERCURTVCJXQLE-UHFFFAOYSA-N -1 1 344.762 2.767 20 30 EFEDMM C[C@@H](CN(C)C(=O)c1ccccc1-c1ccccc1C#N)c1nnn[n-]1 ZINC000183410482 1423994185 /nfs/dbraw/zinc/99/41/85/1423994185.db2.gz FCNZRXSLDIGHAP-ZDUSSCGKSA-N -1 1 346.394 2.614 20 30 EFEDMM CC(C)Oc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1-c1nnn[n-]1 ZINC000820643453 1423999507 /nfs/dbraw/zinc/99/95/07/1423999507.db2.gz WTTMCLNWUNUKRN-UHFFFAOYSA-N -1 1 340.387 2.532 20 30 EFEDMM C[C@@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735506340 1424051420 /nfs/dbraw/zinc/05/14/20/1424051420.db2.gz WAPWBBMDNJWOEA-LBPRGKRZSA-N -1 1 349.350 2.515 20 30 EFEDMM C=C(C)[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C)OCC ZINC000823874137 1424385930 /nfs/dbraw/zinc/38/59/30/1424385930.db2.gz TYTNKASOZHINLN-OAHLLOKOSA-N -1 1 330.388 2.590 20 30 EFEDMM C=CCCOCCCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823899368 1429730566 /nfs/dbraw/zinc/73/05/66/1429730566.db2.gz UNUBFIDRNPQNTL-UHFFFAOYSA-N -1 1 333.367 2.707 20 30 EFEDMM CCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367468 1429734947 /nfs/dbraw/zinc/73/49/47/1429734947.db2.gz QMRIAFJQORBBRR-XFXZXTDPSA-N -1 1 344.378 2.805 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)CCO2 ZINC000826400529 1424805256 /nfs/dbraw/zinc/80/52/56/1424805256.db2.gz AWEZYZSQTBBTOA-GORDUTHDSA-N -1 1 336.326 2.837 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C#N)cc1Cl ZINC000826172914 1429767508 /nfs/dbraw/zinc/76/75/08/1429767508.db2.gz DETCIJVLUJEDJA-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM CC(=O)Nc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824000059 1424966334 /nfs/dbraw/zinc/96/63/34/1424966334.db2.gz SFROHMLDYRQXDT-BJMVGYQFSA-N -1 1 333.351 2.721 20 30 EFEDMM C=C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC000677644473 1425155683 /nfs/dbraw/zinc/15/56/83/1425155683.db2.gz PYMPFVNIUDNFNH-RDTXWAMCSA-N -1 1 333.395 2.765 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc3c(s2)CCCC3)o1 ZINC000819782226 1425302700 /nfs/dbraw/zinc/30/27/00/1425302700.db2.gz IAKGNZCPQSYCGR-UHFFFAOYSA-N -1 1 343.416 2.940 20 30 EFEDMM N#Cc1ncn(Cc2sc3ccccc3c2Cl)c1-c1nnn[n-]1 ZINC000826388049 1425393901 /nfs/dbraw/zinc/39/39/01/1425393901.db2.gz GQFWHNHWFOBFKY-UHFFFAOYSA-N -1 1 341.787 2.851 20 30 EFEDMM O=C(C=Cc1ccc(O)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400931 1425451643 /nfs/dbraw/zinc/45/16/43/1425451643.db2.gz LFJTWFKSXZXUPA-ORCRQEGFSA-N -1 1 328.278 2.747 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000822923458 1425493675 /nfs/dbraw/zinc/49/36/75/1425493675.db2.gz SDYWUJMCAUIJCX-SREVYHEPSA-N -1 1 339.286 2.810 20 30 EFEDMM N#CCC[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381774 1425524586 /nfs/dbraw/zinc/52/45/86/1425524586.db2.gz YSWJQAOLIINGCL-CYBMUJFWSA-N -1 1 338.396 2.703 20 30 EFEDMM N#CCCN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)CC1CC1 ZINC000822810852 1425677633 /nfs/dbraw/zinc/67/76/33/1425677633.db2.gz NFHCREYREVNAQM-UHFFFAOYSA-N -1 1 348.357 2.594 20 30 EFEDMM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403218 1426045178 /nfs/dbraw/zinc/04/51/78/1426045178.db2.gz MOTIDIYUUMKEEV-OWOJBTEDSA-N -1 1 333.354 2.794 20 30 EFEDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401489 1426184221 /nfs/dbraw/zinc/18/42/21/1426184221.db2.gz ZZDRTGSZOHGBAT-SNAWJCMRSA-N -1 1 327.325 2.733 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCCc2ccc(C(C)C)cc2)o1 ZINC000826322753 1426184943 /nfs/dbraw/zinc/18/49/43/1426184943.db2.gz AKYKBQNTPHKVGA-UHFFFAOYSA-N -1 1 325.376 2.927 20 30 EFEDMM COc1nc2ccccc2cc1C=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826221475 1426185702 /nfs/dbraw/zinc/18/57/02/1426185702.db2.gz HRSCDYVOXKRXNH-UHFFFAOYSA-N -1 1 345.366 2.870 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000826246637 1426194189 /nfs/dbraw/zinc/19/41/89/1426194189.db2.gz IGYNTZKZYAKXCC-GFCCVEGCSA-N -1 1 332.367 2.538 20 30 EFEDMM COc1ccc(C=CC(=O)c2cnn(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000737082704 1426348210 /nfs/dbraw/zinc/34/82/10/1426348210.db2.gz YILJTRGJVFJAGE-XQRVVYSFSA-N -1 1 338.371 2.549 20 30 EFEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000820001593 1426383651 /nfs/dbraw/zinc/38/36/51/1426383651.db2.gz UIHMRMFLLGKDHJ-UHFFFAOYSA-N -1 1 348.366 2.534 20 30 EFEDMM N#Cc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822833823 1426435061 /nfs/dbraw/zinc/43/50/61/1426435061.db2.gz WJEDQWHXSAWNAO-UHFFFAOYSA-N -1 1 328.339 2.666 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000826384853 1426475737 /nfs/dbraw/zinc/47/57/37/1426475737.db2.gz MACWJLIEJUGOGF-ARJAWSKDSA-N -1 1 325.328 2.835 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCCSC ZINC000735420954 1426476689 /nfs/dbraw/zinc/47/66/89/1426476689.db2.gz VXHQGYFVCYSQSA-UHFFFAOYSA-N -1 1 345.472 2.915 20 30 EFEDMM FC(F)COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737639205 1426487550 /nfs/dbraw/zinc/48/75/50/1426487550.db2.gz PBHUKHGYFFNQTD-UHFFFAOYSA-N -1 1 344.325 2.957 20 30 EFEDMM CCc1nc(CN=Nc2ccc(-c3nn[n-]n3)cc2)c2ccccn21 ZINC000825745246 1426564414 /nfs/dbraw/zinc/56/44/14/1426564414.db2.gz JYJNEJRSJTWBHR-UHFFFAOYSA-N -1 1 332.371 2.523 20 30 EFEDMM CCc1nc(CN=Nc2ccc(-c3nnn[n-]3)cc2)c2ccccn21 ZINC000825745246 1426564419 /nfs/dbraw/zinc/56/44/19/1426564419.db2.gz JYJNEJRSJTWBHR-UHFFFAOYSA-N -1 1 332.371 2.523 20 30 EFEDMM C=C(C)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000823873926 1426609828 /nfs/dbraw/zinc/60/98/28/1426609828.db2.gz QIXNNOFQUNUUQY-UHFFFAOYSA-N -1 1 344.444 2.509 20 30 EFEDMM C#Cc1cccc(NC(=S)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000735391336 1426703841 /nfs/dbraw/zinc/70/38/41/1426703841.db2.gz PVORMLZOXIWRFQ-UHFFFAOYSA-N -1 1 338.371 2.796 20 30 EFEDMM Fc1ccc(CON=C2CCOc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737647350 1427200145 /nfs/dbraw/zinc/20/01/45/1427200145.db2.gz CGOIBUXNQNGYDJ-UHFFFAOYSA-N -1 1 339.330 2.709 20 30 EFEDMM COc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826210307 1427289855 /nfs/dbraw/zinc/28/98/55/1427289855.db2.gz MAKXIVBQNDECMK-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399985 1427304634 /nfs/dbraw/zinc/30/46/34/1427304634.db2.gz MBXTUAICTNOKDM-UXBLZVDNSA-N -1 1 340.289 2.804 20 30 EFEDMM CCC(CC)CN(CCC#N)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820892938 1427318774 /nfs/dbraw/zinc/31/87/74/1427318774.db2.gz HFQLIRFKVNQUQB-KRWDZBQOSA-N -1 1 342.447 2.552 20 30 EFEDMM C=C(C)CN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000819723097 1427473050 /nfs/dbraw/zinc/47/30/50/1427473050.db2.gz YPEDSXJGELHMAW-UHFFFAOYSA-N -1 1 340.387 2.597 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826384663 1427542892 /nfs/dbraw/zinc/54/28/92/1427542892.db2.gz FAVPHLCMDDBGNK-GQCTYLIASA-N -1 1 337.289 2.913 20 30 EFEDMM CC(C)Oc1ccc(N=Cc2cccc(O)c2O)cc1-c1nnn[n-]1 ZINC000820156025 1427596257 /nfs/dbraw/zinc/59/62/57/1427596257.db2.gz ZTZAFRNRMQJVGX-UHFFFAOYSA-N -1 1 339.355 2.816 20 30 EFEDMM COCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826165050 1427625397 /nfs/dbraw/zinc/62/53/97/1427625397.db2.gz CXKRVDLMRACAIO-PLNGDYQASA-N -1 1 345.359 2.505 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736443587 1427671910 /nfs/dbraw/zinc/67/19/10/1427671910.db2.gz AJLXFTIWYDIZDI-ZDUSSCGKSA-N -1 1 330.436 2.988 20 30 EFEDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000824148540 1427711841 /nfs/dbraw/zinc/71/18/41/1427711841.db2.gz ZEDDDZUGUTZBGW-UHFFFAOYSA-N -1 1 349.398 2.742 20 30 EFEDMM N#CCCCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000822806051 1427782824 /nfs/dbraw/zinc/78/28/24/1427782824.db2.gz IIFCEIYPJRJKPM-UHFFFAOYSA-N -1 1 327.779 2.596 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CN(CCC#N)CCC(C)C ZINC000826168798 1427805846 /nfs/dbraw/zinc/80/58/46/1427805846.db2.gz YRWKLLLGBKUYIP-UHFFFAOYSA-N -1 1 328.420 2.637 20 30 EFEDMM CC[C@H]1CCC[C@@H](C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)C1 ZINC000825195345 1428094943 /nfs/dbraw/zinc/09/49/43/1428094943.db2.gz WGWDTEXKVVWRFN-UONOGXRCSA-N -1 1 328.420 2.696 20 30 EFEDMM CN(Cc1cccc(C#N)c1)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825976999 1428156812 /nfs/dbraw/zinc/15/68/12/1428156812.db2.gz VGYZPKHDSIHNMN-UHFFFAOYSA-N -1 1 345.410 2.649 20 30 EFEDMM COc1ccc2c(c1)CC(=NNCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826212486 1429889958 /nfs/dbraw/zinc/88/99/58/1429889958.db2.gz RZPBCGPRGGFIPQ-UHFFFAOYSA-N -1 1 348.410 2.510 20 30 EFEDMM C(=NNCc1cnc2ccccc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000819718298 1430062494 /nfs/dbraw/zinc/06/24/94/1430062494.db2.gz FAESNGXWKHOKNH-UHFFFAOYSA-N -1 1 335.396 2.600 20 30 EFEDMM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826333449 1430143045 /nfs/dbraw/zinc/14/30/45/1430143045.db2.gz IGKNWYXYCDBIMM-WAYWQWQTSA-N -1 1 346.753 2.597 20 30 EFEDMM C=C(C)CCOC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000819723015 1430152160 /nfs/dbraw/zinc/15/21/60/1430152160.db2.gz UMIBBQBMXFVWCQ-OAHLLOKOSA-N -1 1 330.388 2.780 20 30 EFEDMM C=CCCOCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823898982 1430235047 /nfs/dbraw/zinc/23/50/47/1430235047.db2.gz HAARWJDAMRPCPP-UHFFFAOYSA-N -1 1 338.209 2.634 20 30 EFEDMM C=CCN(Cc1cnn(C(C)C)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914432 1441442730 /nfs/dbraw/zinc/44/27/30/1441442730.db2.gz IPOTWKZZGLSGGA-UHFFFAOYSA-N -1 1 337.431 2.832 20 30 EFEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)s1)CCC2 ZINC000822819594 1441470845 /nfs/dbraw/zinc/47/08/45/1441470845.db2.gz XHIKUQABCIKCFD-UHFFFAOYSA-N -1 1 342.409 2.602 20 30 EFEDMM COc1cccc2c1OCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000821877585 1441473903 /nfs/dbraw/zinc/47/39/03/1441473903.db2.gz MTHJYIOHVUKNKV-UITAMQMPSA-N -1 1 340.364 2.596 20 30 EFEDMM N#Cc1ccc(Cl)cc1OCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822826434 1441481476 /nfs/dbraw/zinc/48/14/76/1441481476.db2.gz YKLXWGBQTZMSGY-UHFFFAOYSA-N -1 1 341.758 2.850 20 30 EFEDMM C=CCN(CCc1ccco1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823909509 1441551253 /nfs/dbraw/zinc/55/12/53/1441551253.db2.gz GUCXRYHQGJMKKL-UHFFFAOYSA-N -1 1 327.363 2.830 20 30 EFEDMM C=CCN(CCc1ccco1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823909509 1441551258 /nfs/dbraw/zinc/55/12/58/1441551258.db2.gz GUCXRYHQGJMKKL-UHFFFAOYSA-N -1 1 327.363 2.830 20 30 EFEDMM O=[N+]([O-])c1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000823639486 1441573662 /nfs/dbraw/zinc/57/36/62/1441573662.db2.gz BCKMGBCBHJMOCC-UHFFFAOYSA-N -1 1 348.326 2.702 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826257272 1441610623 /nfs/dbraw/zinc/61/06/23/1441610623.db2.gz VRNGWWVJLBNNPV-GFCCVEGCSA-N -1 1 332.367 2.538 20 30 EFEDMM C=C(CC)COc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000823877926 1441734833 /nfs/dbraw/zinc/73/48/33/1441734833.db2.gz KEDGDPFVUNTYEO-UHFFFAOYSA-N -1 1 339.193 2.983 20 30 EFEDMM COCc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826164903 1441742826 /nfs/dbraw/zinc/74/28/26/1441742826.db2.gz WKYSZIYXAWQASH-UHFFFAOYSA-N -1 1 343.778 2.508 20 30 EFEDMM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826333448 1441998739 /nfs/dbraw/zinc/99/87/39/1441998739.db2.gz IGKNWYXYCDBIMM-AATRIKPKSA-N -1 1 346.753 2.597 20 30 EFEDMM FC(F)(F)c1cccc(NN=Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737635691 1442028449 /nfs/dbraw/zinc/02/84/49/1442028449.db2.gz MXSRERKQDXKIOU-UHFFFAOYSA-N -1 1 333.277 2.727 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2c(C)[nH]c3ccc(F)cc32)o1 ZINC000826323303 1442029560 /nfs/dbraw/zinc/02/95/60/1442029560.db2.gz YZBOJUCHLNXTKU-UHFFFAOYSA-N -1 1 340.322 2.538 20 30 EFEDMM C#CCOc1ccc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380211 1442033765 /nfs/dbraw/zinc/03/37/65/1442033765.db2.gz FNZFJVGVBGHUSO-CYBMUJFWSA-N -1 1 348.362 2.797 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000826250324 1442072649 /nfs/dbraw/zinc/07/26/49/1442072649.db2.gz VWMUFQFCJGGCPK-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM COc1cccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000821873218 1442090676 /nfs/dbraw/zinc/09/06/76/1442090676.db2.gz TVFJZTFGBIDWDR-UHFFFAOYSA-N -1 1 333.355 2.803 20 30 EFEDMM C#Cc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000735391598 1442092052 /nfs/dbraw/zinc/09/20/52/1442092052.db2.gz UQPCJTPPXHYREV-UHFFFAOYSA-N -1 1 334.408 2.965 20 30 EFEDMM N#Cc1ccc(OCCCOc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737720907 1442109228 /nfs/dbraw/zinc/10/92/28/1442109228.db2.gz AZSSFHHHEOJJEL-UHFFFAOYSA-N -1 1 339.330 2.725 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400560 1442110073 /nfs/dbraw/zinc/11/00/73/1442110073.db2.gz BIHYUFYMQQSCLJ-SOFGYWHQSA-N -1 1 339.286 2.810 20 30 EFEDMM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)cc3)nc21 ZINC000737410124 1442113745 /nfs/dbraw/zinc/11/37/45/1442113745.db2.gz VCXRHQCLMCRSGX-ZDUSSCGKSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)cc3)[nH]c21 ZINC000737410124 1442113747 /nfs/dbraw/zinc/11/37/47/1442113747.db2.gz VCXRHQCLMCRSGX-ZDUSSCGKSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)cc3)[nH]c21 ZINC000737410124 1442113750 /nfs/dbraw/zinc/11/37/50/1442113750.db2.gz VCXRHQCLMCRSGX-ZDUSSCGKSA-N -1 1 343.350 2.542 20 30 EFEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000822923411 1442148957 /nfs/dbraw/zinc/14/89/57/1442148957.db2.gz RCTHTMYHBGCFFY-SNAWJCMRSA-N -1 1 327.325 2.733 20 30 EFEDMM C=CCCO[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823898995 1442169521 /nfs/dbraw/zinc/16/95/21/1442169521.db2.gz HEHQPPWVNLLCRR-NSHDSACASA-N -1 1 349.822 2.854 20 30 EFEDMM Cc1ccnc(N2CC=C(c3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC000826309937 1442177196 /nfs/dbraw/zinc/17/71/96/1442177196.db2.gz GYFDFGBUZNUFIH-UHFFFAOYSA-N -1 1 343.394 2.736 20 30 EFEDMM Cc1cc(NC[C@@H](C)C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209640 1442265935 /nfs/dbraw/zinc/26/59/35/1442265935.db2.gz QNWXSFFACJOTNF-JTQLQIEISA-N -1 1 332.371 2.548 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC000826385176 1442390000 /nfs/dbraw/zinc/39/00/00/1442390000.db2.gz AFKKVHNTJCXNKL-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(O)c(C)c2)cc1-c1nnn[n-]1 ZINC000737080900 1442415704 /nfs/dbraw/zinc/41/57/04/1442415704.db2.gz ILXFGJMYGWEBAO-ZZXKWVIFSA-N -1 1 336.351 2.785 20 30 EFEDMM C#CCOc1ccc(F)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819710014 1442438747 /nfs/dbraw/zinc/43/87/47/1442438747.db2.gz VRVPWJNPSZIXAR-UHFFFAOYSA-N -1 1 341.321 2.769 20 30 EFEDMM CCc1cnccc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825734643 1442473379 /nfs/dbraw/zinc/47/33/79/1442473379.db2.gz LYSLAFQWNULGQV-GQCTYLIASA-N -1 1 335.367 2.729 20 30 EFEDMM CCN(C(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386154 1443113106 /nfs/dbraw/zinc/11/31/06/1443113106.db2.gz ZIWJAQMBIYCGFZ-UHFFFAOYSA-N -1 1 332.367 2.599 20 30 EFEDMM CC(C)CN(Cc1ccnc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261131 1443278101 /nfs/dbraw/zinc/27/81/01/1443278101.db2.gz BKSWQGFSQVTWQK-UHFFFAOYSA-N -1 1 333.399 2.796 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822016034 1443317766 /nfs/dbraw/zinc/31/77/66/1443317766.db2.gz UGGPQISUEXZTAO-CMDGGOBGSA-N -1 1 335.323 2.979 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000826243452 1443372754 /nfs/dbraw/zinc/37/27/54/1443372754.db2.gz IZNBOZDQVNKPLR-ZDUSSCGKSA-N -1 1 343.350 2.542 20 30 EFEDMM CC#CCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819765835 1443382790 /nfs/dbraw/zinc/38/27/90/1443382790.db2.gz SJNZXJPJOHNUKE-UHFFFAOYSA-N -1 1 348.362 2.626 20 30 EFEDMM C#CCSCCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000735388030 1443399068 /nfs/dbraw/zinc/39/90/68/1443399068.db2.gz PPEORIAWPQINAQ-UHFFFAOYSA-N -1 1 327.335 2.664 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821668733 1443424376 /nfs/dbraw/zinc/42/43/76/1443424376.db2.gz GHMJVBIBNAZLHO-WCIBSUBMSA-N -1 1 334.335 2.549 20 30 EFEDMM C=CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1 ZINC000819733706 1443429070 /nfs/dbraw/zinc/42/90/70/1443429070.db2.gz AMHVRILEBJLQEH-OAHLLOKOSA-N -1 1 336.399 2.643 20 30 EFEDMM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735448523 1443431574 /nfs/dbraw/zinc/43/15/74/1443431574.db2.gz SATXFVZGYMPKMN-XFXZXTDPSA-N -1 1 330.351 2.780 20 30 EFEDMM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402995 1443456710 /nfs/dbraw/zinc/45/67/10/1443456710.db2.gz HKBIQYILDHTCNM-KHPPLWFESA-N -1 1 342.362 2.949 20 30 EFEDMM N#Cc1cc(NC(=O)C2CCC(F)(F)CC2)ccc1-c1nnn[n-]1 ZINC000826384316 1443467236 /nfs/dbraw/zinc/46/72/36/1443467236.db2.gz QKFLXBXXODDWMG-UHFFFAOYSA-N -1 1 332.314 2.502 20 30 EFEDMM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963181 1443481216 /nfs/dbraw/zinc/48/12/16/1443481216.db2.gz XPDCATRJROAIKA-UHFFFAOYSA-N -1 1 348.345 2.785 20 30 EFEDMM COc1ccc(COc2cc(Cl)ccc2C#N)cc1-c1nnn[n-]1 ZINC000826207060 1443504522 /nfs/dbraw/zinc/50/45/22/1443504522.db2.gz YMKFVCWVNMYDRG-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824929477 1443519070 /nfs/dbraw/zinc/51/90/70/1443519070.db2.gz XWOWDIQUFBOGQU-HWPZZCPQSA-N -1 1 344.806 2.722 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CC(C)C ZINC000823910002 1443575009 /nfs/dbraw/zinc/57/50/09/1443575009.db2.gz VPTJEIPKPAWQBM-CQSZACIVSA-N -1 1 342.447 2.999 20 30 EFEDMM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824135922 1443633160 /nfs/dbraw/zinc/63/31/60/1443633160.db2.gz KJQCERZMEOEKSH-FNORWQNLSA-N -1 1 340.362 2.923 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1-c1nnn[n-]1 ZINC000822829793 1443637845 /nfs/dbraw/zinc/63/78/45/1443637845.db2.gz JKFQRNOGKRUUBK-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM N#Cc1cc(NC(=O)C[C@H]2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737705775 1443699800 /nfs/dbraw/zinc/69/98/00/1443699800.db2.gz REGOKRPMOXVTHN-CYBMUJFWSA-N -1 1 344.378 2.797 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2cc3cc(C)c(C)cc3o2)o1 ZINC000822424202 1443725166 /nfs/dbraw/zinc/72/51/66/1443725166.db2.gz UACRJLVKZUXPKT-UHFFFAOYSA-N -1 1 337.343 2.972 20 30 EFEDMM N#Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000737704382 1443728055 /nfs/dbraw/zinc/72/80/55/1443728055.db2.gz HVRIYPAKSROSQL-YVMONPNESA-N -1 1 334.314 2.529 20 30 EFEDMM COc1ccc(C=C2Cc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000821786996 1443752878 /nfs/dbraw/zinc/75/28/78/1443752878.db2.gz NBKXSIURVFCOBP-WUXMJOGZSA-N -1 1 336.326 2.837 20 30 EFEDMM N#Cc1cccc(C2(NCc3ccc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC000826386484 1443813629 /nfs/dbraw/zinc/81/36/29/1443813629.db2.gz HCGWKMNEONJSBZ-UHFFFAOYSA-N -1 1 334.358 2.656 20 30 EFEDMM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000825807660 1443833166 /nfs/dbraw/zinc/83/31/66/1443833166.db2.gz TVIIXZTUFQMCSX-BQYQJAHWSA-N -1 1 340.362 2.735 20 30 EFEDMM CCc1nnc(N[C@H](C)c2ccc(C#N)cc2)c(-c2nnn[n-]2)c1CC ZINC000821529609 1443840428 /nfs/dbraw/zinc/84/04/28/1443840428.db2.gz XVMZZEJNQKDWTA-LLVKDONJSA-N -1 1 348.414 2.826 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)cc(C)c1OCCOc1ccc(C#N)cc1 ZINC000737221109 1443841171 /nfs/dbraw/zinc/84/11/71/1443841171.db2.gz FTXARJZNMLJNKQ-UHFFFAOYSA-N -1 1 335.367 2.813 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)ccc1-c1nnn[n-]1 ZINC000826384297 1443846021 /nfs/dbraw/zinc/84/60/21/1443846021.db2.gz PPRRKQSLPHZOMV-KRWDZBQOSA-N -1 1 344.378 2.871 20 30 EFEDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(F)c(C#N)c2)n1 ZINC000822427179 1443847138 /nfs/dbraw/zinc/84/71/38/1443847138.db2.gz DQNUEHSFJKAJME-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM N#Cc1cc(Cl)ccc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826383636 1443848788 /nfs/dbraw/zinc/84/87/88/1443848788.db2.gz JQOFAMVYNSQDTC-UHFFFAOYSA-N -1 1 345.771 2.810 20 30 EFEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)C1CCOCC1 ZINC000820831988 1443858551 /nfs/dbraw/zinc/85/85/51/1443858551.db2.gz GFAWAJHJDRCWDQ-UHFFFAOYSA-N -1 1 347.423 2.658 20 30 EFEDMM Cc1cc(C)n(N=C[C@H]2CCCc3ccccc32)c(=O)c1-c1nnn[n-]1 ZINC000822199049 1443872961 /nfs/dbraw/zinc/87/29/61/1443872961.db2.gz UHDJSGXHYWBIQD-OAHLLOKOSA-N -1 1 348.410 2.599 20 30 EFEDMM Cc1cc(C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826262850 1443901240 /nfs/dbraw/zinc/90/12/40/1443901240.db2.gz AICUZLYQZZNBIL-UHFFFAOYSA-N -1 1 332.367 2.916 20 30 EFEDMM CC(C)[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000824216545 1443906110 /nfs/dbraw/zinc/90/61/10/1443906110.db2.gz TXKITVCKRBHDFO-LLVKDONJSA-N -1 1 335.799 2.518 20 30 EFEDMM COc1ccc(CNN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826203340 1443910066 /nfs/dbraw/zinc/91/00/66/1443910066.db2.gz KAONUQXYEHPOSP-UHFFFAOYSA-N -1 1 340.362 2.528 20 30 EFEDMM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826333642 1443942425 /nfs/dbraw/zinc/94/24/25/1443942425.db2.gz PNWRGYKRGDKDNH-ONEGZZNKSA-N -1 1 334.792 2.520 20 30 EFEDMM CC[C@@H]1C[C@@H](CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184829 1443978884 /nfs/dbraw/zinc/97/88/84/1443978884.db2.gz ZWQBCDAISYZVFT-WDEREUQCSA-N -1 1 347.423 2.755 20 30 EFEDMM N#Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822822932 1443984563 /nfs/dbraw/zinc/98/45/63/1443984563.db2.gz IMJIWOGUMRSVQL-UHFFFAOYSA-N -1 1 338.758 2.573 20 30 EFEDMM CCO[C@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000821351648 1443989728 /nfs/dbraw/zinc/98/97/28/1443989728.db2.gz UOFVLZDHGMDGNO-INIZCTEOSA-N -1 1 340.431 2.682 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnc(C)nc1C ZINC000823958202 1444020946 /nfs/dbraw/zinc/02/09/46/1444020946.db2.gz FTUPMSCMQNUVEQ-UHFFFAOYSA-N -1 1 342.794 2.763 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)OCC ZINC000823872796 1444024213 /nfs/dbraw/zinc/02/42/13/1444024213.db2.gz DOWFPEPUEBOSGC-NSHDSACASA-N -1 1 335.433 2.855 20 30 EFEDMM C=CCN(CC=C)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819739821 1444032363 /nfs/dbraw/zinc/03/23/63/1444032363.db2.gz IYTBYNMOOPXABX-LLVKDONJSA-N -1 1 346.822 2.521 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735505712 1446102905 /nfs/dbraw/zinc/10/29/05/1446102905.db2.gz VMZZTBSGULLFPP-NSHDSACASA-N -1 1 334.339 2.757 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(F)(F)F ZINC000819743908 1446183608 /nfs/dbraw/zinc/18/36/08/1446183608.db2.gz SIBHPNYILAKPBQ-UHFFFAOYSA-N -1 1 339.321 2.724 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)n2c1 ZINC000826295692 1446185607 /nfs/dbraw/zinc/18/56/07/1446185607.db2.gz UDRFAHUWCCXXIM-ARJAWSKDSA-N -1 1 336.380 2.780 20 30 EFEDMM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830524 1446210121 /nfs/dbraw/zinc/21/01/21/1446210121.db2.gz UTVXNENPOUDYOC-UHFFFAOYSA-N -1 1 344.378 2.698 20 30 EFEDMM FC(F)(F)c1cccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737634690 1446242060 /nfs/dbraw/zinc/24/20/60/1446242060.db2.gz AGMWXCHDYLXTLA-UHFFFAOYSA-N -1 1 333.277 2.727 20 30 EFEDMM N#CC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000822806499 1446256317 /nfs/dbraw/zinc/25/63/17/1446256317.db2.gz OWKFAAZLGWRXOY-UHFFFAOYSA-N -1 1 339.790 2.808 20 30 EFEDMM C=C(CC)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823878122 1446310535 /nfs/dbraw/zinc/31/05/35/1446310535.db2.gz PSJFRSXMERIATG-UHFFFAOYSA-N -1 1 330.388 2.925 20 30 EFEDMM Cc1ccccc1[C@@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000822344844 1446364017 /nfs/dbraw/zinc/36/40/17/1446364017.db2.gz BLUXGNOKWYTNTP-SNVBAGLBSA-N -1 1 337.412 2.877 20 30 EFEDMM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401128 1446388266 /nfs/dbraw/zinc/38/82/66/1446388266.db2.gz QGMGSNFMJROPNG-KTAJNNJTSA-N -1 1 336.326 2.837 20 30 EFEDMM C[C@@](C#N)(NC(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000819844301 1446389668 /nfs/dbraw/zinc/38/96/68/1446389668.db2.gz BMQCTXJNUZEEAM-HNNXBMFYSA-N -1 1 330.417 2.521 20 30 EFEDMM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824000128 1446423513 /nfs/dbraw/zinc/42/35/13/1446423513.db2.gz VROMMSCGKNAWCH-VURMDHGXSA-N -1 1 339.380 2.783 20 30 EFEDMM C#CCOc1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000819709884 1446456885 /nfs/dbraw/zinc/45/68/85/1446456885.db2.gz SOCGYAWGDBVSOR-UHFFFAOYSA-N -1 1 327.731 2.719 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2ccc(F)cc21 ZINC000823503368 1446516840 /nfs/dbraw/zinc/51/68/40/1446516840.db2.gz DXUUELHPNXPVHE-YVMONPNESA-N -1 1 328.328 2.726 20 30 EFEDMM Cc1ccc(C#N)cc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822225205 1446548027 /nfs/dbraw/zinc/54/80/27/1446548027.db2.gz SAMWWLUCJRQVOM-UHFFFAOYSA-N -1 1 330.351 2.879 20 30 EFEDMM COc1ccccc1C=CC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821890320 1446557565 /nfs/dbraw/zinc/55/75/65/1446557565.db2.gz LZHPQVDRFWBXHY-HXNRNBTNSA-N -1 1 334.383 2.664 20 30 EFEDMM C=CCCCC(=O)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819733939 1446590652 /nfs/dbraw/zinc/59/06/52/1446590652.db2.gz FSTTUZXMIZFYMB-UHFFFAOYSA-N -1 1 341.415 2.593 20 30 EFEDMM C[C@H](C#N)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735506339 1446706960 /nfs/dbraw/zinc/70/69/60/1446706960.db2.gz WAPWBBMDNJWOEA-GFCCVEGCSA-N -1 1 349.350 2.515 20 30 EFEDMM C#Cc1cccc(N(C)C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000735390925 1446853604 /nfs/dbraw/zinc/85/36/04/1446853604.db2.gz JBUJKCOODYFSMW-UHFFFAOYSA-N -1 1 334.408 2.681 20 30 EFEDMM N#Cc1cc(NC(=O)CC=Cc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC000822823210 1446896421 /nfs/dbraw/zinc/89/64/21/1446896421.db2.gz MUHSJIOGOWQPCH-RQOWECAXSA-N -1 1 348.341 2.919 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894933 1446925611 /nfs/dbraw/zinc/92/56/11/1446925611.db2.gz ZTEUUVIINWJLIO-QWHCGFSZSA-N -1 1 328.420 2.972 20 30 EFEDMM N#CC1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000826379977 1446941816 /nfs/dbraw/zinc/94/18/16/1446941816.db2.gz IUYYPGQCEIQVAN-UHFFFAOYSA-N -1 1 345.362 2.994 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000826383495 1446946741 /nfs/dbraw/zinc/94/67/41/1446946741.db2.gz DEGBKADLWXKQHM-KXFIGUGUSA-N -1 1 337.289 2.913 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CN(CCC#N)CC(C)(C)C ZINC000826181502 1446984046 /nfs/dbraw/zinc/98/40/46/1446984046.db2.gz BAJMHNKPMRPDMN-UHFFFAOYSA-N -1 1 328.420 2.637 20 30 EFEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826380404 1447006167 /nfs/dbraw/zinc/00/61/67/1447006167.db2.gz ZJSXVSVANUJOFE-ZBFHGGJFSA-N -1 1 331.383 2.538 20 30 EFEDMM N#CCCN(CC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822806705 1447066809 /nfs/dbraw/zinc/06/68/09/1447066809.db2.gz RSTWDEHNKLTFIU-UHFFFAOYSA-N -1 1 345.794 2.678 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1cccc(F)c1 ZINC000826185074 1447096672 /nfs/dbraw/zinc/09/66/72/1447096672.db2.gz XLBWZUDGSOZGJL-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM C=CCCCC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC000823894656 1447185065 /nfs/dbraw/zinc/18/50/65/1447185065.db2.gz VTLUSZULGOPTCO-UHFFFAOYSA-N -1 1 325.376 2.531 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203932 1447188643 /nfs/dbraw/zinc/18/86/43/1447188643.db2.gz WQSXRPYUPRIVNJ-VOTSOKGWSA-N -1 1 325.397 2.880 20 30 EFEDMM C=CCC(CC=C)C(=O)OCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000819733855 1447277457 /nfs/dbraw/zinc/27/74/57/1447277457.db2.gz CTBIJWACCDFGKW-UHFFFAOYSA-N -1 1 328.372 2.557 20 30 EFEDMM C=CCCCOc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819739858 1447278195 /nfs/dbraw/zinc/27/81/95/1447278195.db2.gz JJABAFKMZKDYSQ-UHFFFAOYSA-N -1 1 339.193 2.983 20 30 EFEDMM C#CCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735374968 1447301153 /nfs/dbraw/zinc/30/11/53/1447301153.db2.gz HDQGPIDBNLUYCR-UHFFFAOYSA-N -1 1 348.366 2.804 20 30 EFEDMM COCC(CC(C)C)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000736976588 1449060228 /nfs/dbraw/zinc/06/02/28/1449060228.db2.gz FVCWZPLAIZQVPG-UHFFFAOYSA-N -1 1 335.412 2.613 20 30 EFEDMM C#CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000819698415 1449217139 /nfs/dbraw/zinc/21/71/39/1449217139.db2.gz ZFULZBVNBOELDO-UHFFFAOYSA-N -1 1 345.353 2.553 20 30 EFEDMM N#Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826383746 1449230570 /nfs/dbraw/zinc/23/05/70/1449230570.db2.gz OGPUUJZNSKFXTP-UHFFFAOYSA-N -1 1 349.741 2.516 20 30 EFEDMM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822814913 1449311792 /nfs/dbraw/zinc/31/17/92/1449311792.db2.gz LHFRCPMPMCBLPV-ALCCZGGFSA-N -1 1 337.364 2.727 20 30 EFEDMM Cn1cc(C=NNc2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360720 1449485171 /nfs/dbraw/zinc/48/51/71/1449485171.db2.gz VGQUPOJJYKEZQX-UHFFFAOYSA-N -1 1 344.382 2.713 20 30 EFEDMM N#Cc1cc(NC(=O)c2cc3cc(F)ccc3o2)ccc1-c1nnn[n-]1 ZINC000737707786 1449529021 /nfs/dbraw/zinc/52/90/21/1449529021.db2.gz BONYOMATRJALBX-UHFFFAOYSA-N -1 1 348.297 2.876 20 30 EFEDMM Cc1cc(C#N)ccc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826256892 1449543570 /nfs/dbraw/zinc/54/35/70/1449543570.db2.gz FKSXBHFMEYNCQN-UHFFFAOYSA-N -1 1 347.378 2.723 20 30 EFEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000822924103 1449574925 /nfs/dbraw/zinc/57/49/25/1449574925.db2.gz XIRLFALWNJTVEU-AATRIKPKSA-N -1 1 327.325 2.733 20 30 EFEDMM CC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000824000123 1449616450 /nfs/dbraw/zinc/61/64/50/1449616450.db2.gz VKLUZCHFJSCIGU-VOTSOKGWSA-N -1 1 339.380 2.783 20 30 EFEDMM Cc1cc(C)n(N=CC2CCC(C)(C)CC2)c(=O)c1-c1nnn[n-]1 ZINC000822198637 1449774494 /nfs/dbraw/zinc/77/44/94/1449774494.db2.gz CYNAWDCCUFJFMO-UHFFFAOYSA-N -1 1 328.420 2.696 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716153 1449785758 /nfs/dbraw/zinc/78/57/58/1449785758.db2.gz LPBOWTRHMDRKBU-HOCLYGCPSA-N -1 1 348.341 2.620 20 30 EFEDMM C[C@H](Nc1ncc(C#N)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462273 1449821917 /nfs/dbraw/zinc/82/19/17/1449821917.db2.gz WSSFEWGZJSZPKL-VIFPVBQESA-N -1 1 325.763 2.960 20 30 EFEDMM Cc1nc(C)c(C#N)c(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822427388 1449909950 /nfs/dbraw/zinc/90/99/50/1449909950.db2.gz LVEBCYSUBJKUDN-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM C[C@@]1(C#N)CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC000824776543 1449954485 /nfs/dbraw/zinc/95/44/85/1449954485.db2.gz CHVLACNNHMNQOW-AWEZNQCLSA-N -1 1 347.220 2.759 20 30 EFEDMM C#Cc1cccc(NC(=S)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819709357 1449958860 /nfs/dbraw/zinc/95/88/60/1449958860.db2.gz FEEHGMXHQRETJP-GFCCVEGCSA-N -1 1 348.435 2.896 20 30 EFEDMM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820322407 1449961982 /nfs/dbraw/zinc/96/19/82/1449961982.db2.gz SDFXSCRJBWAONL-LXKVQUBZSA-N -1 1 344.378 2.629 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1OCC#Cc1cccc(Cl)c1 ZINC000821700383 1449990851 /nfs/dbraw/zinc/99/08/51/1449990851.db2.gz MSXHEFDVSQBTPA-UHFFFAOYSA-N -1 1 340.770 2.959 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823894096 1450113128 /nfs/dbraw/zinc/11/31/28/1450113128.db2.gz HHSYZZANTRTZFA-ZDUSSCGKSA-N -1 1 345.472 2.961 20 30 EFEDMM C=CC[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000735410272 1450287415 /nfs/dbraw/zinc/28/74/15/1450287415.db2.gz YSPJSCZKDCTSQG-VIFPVBQESA-N -1 1 344.444 2.555 20 30 EFEDMM Clc1cc(NN=Cc2ccc3c[nH]nc3c2)ccc1-c1nnn[n-]1 ZINC000826351472 1450311199 /nfs/dbraw/zinc/31/11/99/1450311199.db2.gz NTONVBRSARLPNI-UHFFFAOYSA-N -1 1 338.762 2.842 20 30 EFEDMM Cc1cc(SCCC#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826272733 1450425069 /nfs/dbraw/zinc/42/50/69/1450425069.db2.gz YPGZHPOBMYJADC-UHFFFAOYSA-N -1 1 335.396 2.982 20 30 EFEDMM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1O ZINC000821703282 1450452190 /nfs/dbraw/zinc/45/21/90/1450452190.db2.gz XVJBNPBWSIZUGC-HYXAFXHYSA-N -1 1 328.353 2.539 20 30 EFEDMM O=C(/C=C\c1ccc(N2CCOCC2)cc1)c1cc(O)ccc1[O-] ZINC000255062808 713550731 /nfs/dbraw/zinc/55/07/31/713550731.db2.gz PKTOFCGKQZZAIK-CLTKARDFSA-N -1 1 325.364 2.831 20 30 EFEDMM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1 ZINC000048452381 713778273 /nfs/dbraw/zinc/77/82/73/713778273.db2.gz GWFGCGDHLPBJQG-UHFFFAOYSA-N -1 1 345.380 2.655 20 30 EFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1F ZINC000175847810 714355653 /nfs/dbraw/zinc/35/56/53/714355653.db2.gz KGZNTPFXAZJBQE-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1 ZINC000255368800 714838726 /nfs/dbraw/zinc/83/87/26/714838726.db2.gz LDSFVDXRVGHDKZ-YVACAVLKSA-N -1 1 349.180 2.986 20 30 EFEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000313490900 715431654 /nfs/dbraw/zinc/43/16/54/715431654.db2.gz WGYMTZLTOXWGMY-UHFFFAOYSA-N -1 1 349.206 2.602 20 30 EFEDMM N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)nc1 ZINC000894841210 722887520 /nfs/dbraw/zinc/88/75/20/722887520.db2.gz YQORDNRJYWEJSA-CQSZACIVSA-N -1 1 331.322 2.590 20 30 EFEDMM N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccccc2O)s1 ZINC001027761120 716871134 /nfs/dbraw/zinc/87/11/34/716871134.db2.gz HMOUBOHBOSBBAY-ZDUSSCGKSA-N -1 1 341.436 2.720 20 30 EFEDMM C#CC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)c2ncccc2[O-])C1 ZINC001029920329 724547606 /nfs/dbraw/zinc/54/76/06/724547606.db2.gz VDVRNFZAJSEIOJ-SFHVURJKSA-N -1 1 349.434 2.527 20 30 EFEDMM Cc1cc(C(F)(F)C(=O)[N-][C@]2(C#N)CCSC2)cnc1Cl ZINC000931298877 721023181 /nfs/dbraw/zinc/02/31/81/721023181.db2.gz FNOGAEUODRWXBT-LBPRGKRZSA-N -1 1 331.775 2.651 20 30 EFEDMM C=CCCOCC(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000728334161 723913474 /nfs/dbraw/zinc/91/34/74/723913474.db2.gz WPPIAPPQZKCBHX-UHFFFAOYSA-N -1 1 332.352 2.697 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000918381182 728872538 /nfs/dbraw/zinc/87/25/38/728872538.db2.gz UMQZQPLZNULMIE-CYBMUJFWSA-N -1 1 344.477 2.914 20 30 EFEDMM CCN(CCC#N)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359232 725825478 /nfs/dbraw/zinc/82/54/78/725825478.db2.gz IKQWTQFECZTXPS-UHFFFAOYSA-N -1 1 345.182 2.618 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(C)cc(C)c1 ZINC000730432937 726130223 /nfs/dbraw/zinc/13/02/23/726130223.db2.gz BXJFDXMOMQRBNH-UHFFFAOYSA-N -1 1 327.409 2.766 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)cc1Cl ZINC000731155306 726813273 /nfs/dbraw/zinc/81/32/73/726813273.db2.gz XLVMXHRHWAEJHW-UHFFFAOYSA-N -1 1 337.170 2.575 20 30 EFEDMM O=c1nc(NN=Cc2sc3ccccc3c2Cl)nc2[nH][n-]cc1-2 ZINC000731157031 726813719 /nfs/dbraw/zinc/81/37/19/726813719.db2.gz BWFCUEQOJCFDPV-UHFFFAOYSA-N -1 1 344.787 2.746 20 30 EFEDMM CN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[O-])C(C)(C)C#N ZINC000909862127 727392709 /nfs/dbraw/zinc/39/27/09/727392709.db2.gz AECHLACPXPGAJZ-UHFFFAOYSA-N -1 1 345.182 2.616 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000910179511 727418084 /nfs/dbraw/zinc/41/80/84/727418084.db2.gz XSMVAHWDYRADRM-UHFFFAOYSA-N -1 1 348.468 2.586 20 30 EFEDMM C=CCCC[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)C(=O)[O-] ZINC000910916074 727471895 /nfs/dbraw/zinc/47/18/95/727471895.db2.gz DAXHGTMZVWRVFK-ROUUACIJSA-N -1 1 344.455 2.967 20 30 EFEDMM C=CCCC[C@H](NC(=O)c1ccc(CN2CCCCC2)o1)C(=O)[O-] ZINC000910924023 727472227 /nfs/dbraw/zinc/47/22/27/727472227.db2.gz XJFZNOHETCYLCP-HNNXBMFYSA-N -1 1 334.416 2.805 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccccc2OCc2cccnc2)n1 ZINC000915932607 727640905 /nfs/dbraw/zinc/64/09/05/727640905.db2.gz WAKFLQPOBYCMJE-UHFFFAOYSA-N -1 1 335.367 2.911 20 30 EFEDMM Cn1c([N-][NH+]=Cc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000915969418 727643795 /nfs/dbraw/zinc/64/37/95/727643795.db2.gz SBQIMJHJHMTLFV-UHFFFAOYSA-N -1 1 338.327 2.542 20 30 EFEDMM COc1cccc2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)oc21 ZINC000916136892 727659961 /nfs/dbraw/zinc/65/99/61/727659961.db2.gz BXVHBQPZLGBXHT-WLMCBFPDSA-N -1 1 326.304 2.670 20 30 EFEDMM CCCCCN1c2ccccc2C(=NNc2nc(C)cc(=O)[n-]2)C1=O ZINC000916241439 727668056 /nfs/dbraw/zinc/66/80/56/727668056.db2.gz BMQMVOFKEGWJJA-UHFFFAOYSA-N -1 1 339.399 2.844 20 30 EFEDMM COc1cc(C(C)=NNc2nc(C)cc(=O)[n-]2)ccc1OC(F)F ZINC000916241556 727670116 /nfs/dbraw/zinc/67/01/16/727670116.db2.gz KPEUHKJDELMJEN-UHFFFAOYSA-N -1 1 338.314 2.937 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2C)c(=O)o1 ZINC000164779385 727980076 /nfs/dbraw/zinc/98/00/76/727980076.db2.gz UALCIOBKCWSNIS-DRDHIDPGSA-N -1 1 349.180 2.986 20 30 EFEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000174360662 728663231 /nfs/dbraw/zinc/66/32/31/728663231.db2.gz LZTHIAFABYAVMS-UHFFFAOYSA-N -1 1 347.367 2.807 20 30 EFEDMM Cc1cc(=O)[n-]c(N=NC2CCN(c3ccc(F)cc3F)CC2)n1 ZINC000920359085 729175947 /nfs/dbraw/zinc/17/59/47/729175947.db2.gz HIAOMJUFVOWZDB-UHFFFAOYSA-N -1 1 333.342 2.837 20 30 EFEDMM C#Cc1cccc(NC(=O)CN(C)C(=O)c2c([O-])cccc2Cl)c1 ZINC000920456106 729184873 /nfs/dbraw/zinc/18/48/73/729184873.db2.gz UILBLHPGUDQDGF-UHFFFAOYSA-N -1 1 342.782 2.738 20 30 EFEDMM CCCCCCCCN1C(=O)C(=CN[C@H](C)CC)C(=O)[N-]C1=S ZINC000920976779 729250043 /nfs/dbraw/zinc/25/00/43/729250043.db2.gz WHIQXMDMZAHFGP-NXXVSJRMSA-N -1 1 339.505 2.862 20 30 EFEDMM C#Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001602704812 971338495 /nfs/dbraw/zinc/33/84/95/971338495.db2.gz UTZSOQVKPFUWIC-QGZVFWFLSA-N -1 1 338.407 2.852 20 30 EFEDMM C#Cc1cccc(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC001602707534 971345752 /nfs/dbraw/zinc/34/57/52/971345752.db2.gz ZUDGTJVRXBJDKQ-QGZVFWFLSA-N -1 1 338.407 2.852 20 30 EFEDMM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(C)(C(=O)[O-])CC1 ZINC001602786021 971530622 /nfs/dbraw/zinc/53/06/22/971530622.db2.gz BOTONXBHAATMHO-OAHLLOKOSA-N -1 1 343.427 2.508 20 30 EFEDMM CC[C@H](C)[C@H](NCC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001593613887 953480123 /nfs/dbraw/zinc/48/01/23/953480123.db2.gz JFYLZRCQKIVRMA-UGSOOPFHSA-N -1 1 345.443 2.639 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001589352883 954094141 /nfs/dbraw/zinc/09/41/41/954094141.db2.gz IWOXXQKAADKILY-UHIISALHSA-N -1 1 349.818 2.581 20 30 EFEDMM C[C@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C(=O)[O-] ZINC001589355019 954122509 /nfs/dbraw/zinc/12/25/09/954122509.db2.gz LMLSPCJZZZTDAK-GWCFXTLKSA-N -1 1 337.217 2.863 20 30 EFEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(CCCCC(=O)[O-])CC1 ZINC001594601770 956138942 /nfs/dbraw/zinc/13/89/42/956138942.db2.gz QVTYTASHSHTWMC-MRXNPFEDSA-N -1 1 335.835 2.777 20 30 EFEDMM N#C[C@H](C(=O)C1(C(=O)[O-])CCC1)c1nc2ccccc2n1C(F)F ZINC001594602269 956144175 /nfs/dbraw/zinc/14/41/75/956144175.db2.gz UTEFGAFXOLKIRG-SECBINFHSA-N -1 1 333.294 2.863 20 30 EFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001588539970 958956903 /nfs/dbraw/zinc/95/69/03/958956903.db2.gz IRYUUPLNKAZOSG-CYBMUJFWSA-N -1 1 341.154 2.813 20 30 EFEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001574488293 961694216 /nfs/dbraw/zinc/69/42/16/961694216.db2.gz PFSBNWLPHYVQDS-HNNXBMFYSA-N -1 1 329.287 2.521 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC001573339188 962887968 /nfs/dbraw/zinc/88/79/68/962887968.db2.gz PORQNRMJACCRMH-UHFFFAOYSA-N -1 1 337.445 2.659 20 30 EFEDMM N#Cc1ccc(-c2nnc(CN3CCC[C@@H](CCC(=O)[O-])C3)o2)cc1 ZINC001608198370 970402580 /nfs/dbraw/zinc/40/25/80/970402580.db2.gz CIWZBSVUEGBTIY-AWEZNQCLSA-N -1 1 340.383 2.685 20 30 EFEDMM N#Cc1cc(Br)ccc1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001605590970 973886236 /nfs/dbraw/zinc/88/62/36/973886236.db2.gz QHGPNRWVRVUORJ-LSDHHAIUSA-N -1 1 349.228 2.863 20 30 EFEDMM O=C([O-])c1ccc(N=NC2CCN(CCC(F)(F)F)CC2)nc1 ZINC000779786517 978783930 /nfs/dbraw/zinc/78/39/30/978783930.db2.gz ZMMCADRPTIPCGM-UHFFFAOYSA-N -1 1 330.310 2.596 20 30 EFEDMM COC(=O)COc1ccccc1C(C)=NNc1ccccc1C(=O)[O-] ZINC000783816143 978793940 /nfs/dbraw/zinc/79/39/40/978793940.db2.gz KWSKOCTWDDNCOM-UHFFFAOYSA-N -1 1 342.351 2.773 20 30 EFEDMM O=C([O-])COc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000833253076 979130118 /nfs/dbraw/zinc/13/01/18/979130118.db2.gz ZNWIHBNUFFXSDN-FPYGCLRLSA-N -1 1 343.291 2.660 20 30 EFEDMM C=CCCn1cc(CNCCc2cc3ccc(C(=O)[O-])cc3o2)nn1 ZINC000900074972 980248024 /nfs/dbraw/zinc/24/80/24/980248024.db2.gz GRTTVXYKWONOMU-UHFFFAOYSA-N -1 1 340.383 2.631 20 30 EFEDMM C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])C1 ZINC001588434740 983471986 /nfs/dbraw/zinc/47/19/86/983471986.db2.gz RUBDAICKCFUNNN-STQMWFEESA-N -1 1 334.441 2.817 20 30 EFEDMM C#CCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001588453773 983477295 /nfs/dbraw/zinc/47/72/95/983477295.db2.gz SFYLEPMEAMWASH-OAHLLOKOSA-N -1 1 341.238 2.760 20 30 EFEDMM C#CCCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001588453772 983477312 /nfs/dbraw/zinc/47/73/12/983477312.db2.gz SFYLEPMEAMWASH-HNNXBMFYSA-N -1 1 341.238 2.760 20 30 EFEDMM C=C(C)CN(C)Cn1ncc2c1ccc(Br)c2C(=O)[O-] ZINC001588561656 983642973 /nfs/dbraw/zinc/64/29/73/983642973.db2.gz SWGMJIBRQYKNAD-UHFFFAOYSA-N -1 1 338.205 2.962 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001588612502 983703049 /nfs/dbraw/zinc/70/30/49/983703049.db2.gz QVTXJIBVRKRSJH-CVEARBPZSA-N -1 1 330.428 2.529 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001588612502 983703051 /nfs/dbraw/zinc/70/30/51/983703051.db2.gz QVTXJIBVRKRSJH-CVEARBPZSA-N -1 1 330.428 2.529 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001588612505 983703100 /nfs/dbraw/zinc/70/31/00/983703100.db2.gz QVTXJIBVRKRSJH-HZPDHXFCSA-N -1 1 330.428 2.529 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001588612505 983703102 /nfs/dbraw/zinc/70/31/02/983703102.db2.gz QVTXJIBVRKRSJH-HZPDHXFCSA-N -1 1 330.428 2.529 20 30 EFEDMM C=C[C@H](Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(=O)[O-] ZINC001588714612 983952238 /nfs/dbraw/zinc/95/22/38/983952238.db2.gz JPKPFVURTONPED-JTQLQIEISA-N -1 1 325.777 2.865 20 30 EFEDMM C=CC[C@@H](C(=O)[O-])N1CCc2ccc(F)c(Br)c2C1 ZINC001588731251 984006882 /nfs/dbraw/zinc/00/68/82/984006882.db2.gz GRCOEJZMAMKMQD-LBPRGKRZSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCC[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC001588776982 984154546 /nfs/dbraw/zinc/15/45/46/984154546.db2.gz PJBJHJRYRBBZJE-SJLPKXTDSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCOC[C@@H](NCc1cccc(Cl)c1Br)C(=O)[O-] ZINC001588865994 984421736 /nfs/dbraw/zinc/42/17/36/984421736.db2.gz HTNIWZXPYALKCW-LLVKDONJSA-N -1 1 348.624 2.848 20 30 EFEDMM C=CCN1C(=O)N=NC1SCc1c(Cl)cccc1C(=O)[O-] ZINC001588907145 984538078 /nfs/dbraw/zinc/53/80/78/984538078.db2.gz CVICKLLLOAJVGT-UHFFFAOYSA-N -1 1 325.777 2.814 20 30 EFEDMM CC(N=Nc1cc(C(=O)[O-])ccc1Br)c1cnn(C)c1 ZINC001589016922 984999379 /nfs/dbraw/zinc/99/93/79/984999379.db2.gz OPFYAVHDUDNOPT-UHFFFAOYSA-N -1 1 337.177 2.717 20 30 EFEDMM CC(=NNc1nccn1C)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589017210 985002069 /nfs/dbraw/zinc/00/20/69/985002069.db2.gz BTHGPYIKNNYRPP-UHFFFAOYSA-N -1 1 329.385 2.873 20 30 EFEDMM CN(Cc1cc(C(=O)[O-])ccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001598507942 992531382 /nfs/dbraw/zinc/53/13/82/992531382.db2.gz XOUNCMGXEQPQKS-KRWDZBQOSA-N -1 1 328.343 2.561 20 30 EFEDMM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H](Cc2ccccc2)C1 ZINC001598619153 993962642 /nfs/dbraw/zinc/96/26/42/993962642.db2.gz IFRVAMNEGJDTEP-SFHVURJKSA-N -1 1 349.434 2.615 20 30 EFEDMM CC1(C)CCC[C@](NCC(=O)Nc2sccc2C#N)(C(=O)[O-])C1 ZINC001593894666 996747723 /nfs/dbraw/zinc/74/77/23/996747723.db2.gz GCMOHVAXTQACHA-MRXNPFEDSA-N -1 1 335.429 2.571 20 30 EFEDMM COc1cc(CN=Nc2cccc(F)c2C(=O)[O-])cc2c1OCO2 ZINC001599399094 997182995 /nfs/dbraw/zinc/18/29/95/997182995.db2.gz DMVMLSOWJGLDSD-UHFFFAOYSA-N -1 1 332.287 2.707 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cc2ccccc2s1 ZINC001575439079 1088473293 /nfs/dbraw/zinc/47/32/93/1088473293.db2.gz MFPSDFRWXBKMDC-SECBINFHSA-N -1 1 348.395 2.916 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cc2ccccc2s1 ZINC001575439079 1088473319 /nfs/dbraw/zinc/47/33/19/1088473319.db2.gz MFPSDFRWXBKMDC-SECBINFHSA-N -1 1 348.395 2.916 20 30 EFEDMM C[C@H](Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001575440694 1088473457 /nfs/dbraw/zinc/47/34/57/1088473457.db2.gz ZOSDQKCBGHUQEN-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@H](Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001575440694 1088473461 /nfs/dbraw/zinc/47/34/61/1088473461.db2.gz ZOSDQKCBGHUQEN-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C#N ZINC001578492967 1090386161 /nfs/dbraw/zinc/38/61/61/1090386161.db2.gz WNNWAVDPHUWUMV-UHFFFAOYSA-N -1 1 328.357 2.516 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C#N ZINC001578492967 1090386167 /nfs/dbraw/zinc/38/61/67/1090386167.db2.gz WNNWAVDPHUWUMV-UHFFFAOYSA-N -1 1 328.357 2.516 20 30 EFEDMM CCc1cc(C#N)ccc1OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001578496101 1090387231 /nfs/dbraw/zinc/38/72/31/1090387231.db2.gz VXDJYDHQRDBPLL-UHFFFAOYSA-N -1 1 325.353 2.581 20 30 EFEDMM CCc1cc(C#N)ccc1OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001578496101 1090387240 /nfs/dbraw/zinc/38/72/40/1090387240.db2.gz VXDJYDHQRDBPLL-UHFFFAOYSA-N -1 1 325.353 2.581 20 30 EFEDMM COc1cc(C#N)ccc1Oc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001579890076 1090716535 /nfs/dbraw/zinc/71/65/35/1090716535.db2.gz LQPNSMNYKFZAIQ-UHFFFAOYSA-N -1 1 334.748 2.649 20 30 EFEDMM CSc1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1Cl ZINC001580235665 1090823211 /nfs/dbraw/zinc/82/32/11/1090823211.db2.gz VZOGUCLXXHGTAO-UHFFFAOYSA-N -1 1 344.791 2.647 20 30 EFEDMM CSc1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1Cl ZINC001580235665 1090823216 /nfs/dbraw/zinc/82/32/16/1090823216.db2.gz VZOGUCLXXHGTAO-UHFFFAOYSA-N -1 1 344.791 2.647 20 30 EFEDMM N#Cc1ncc(SCc2cccc3ccccc32)nc1-c1nn[n-]n1 ZINC001581885344 1091331924 /nfs/dbraw/zinc/33/19/24/1091331924.db2.gz XGRREWYCOVLEHE-UHFFFAOYSA-N -1 1 345.391 2.974 20 30 EFEDMM N#Cc1ccnc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)c1 ZINC001585436761 1092486816 /nfs/dbraw/zinc/48/68/16/1092486816.db2.gz XRCMYKOKZLSAFW-UHFFFAOYSA-N -1 1 339.355 2.787 20 30 EFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001649731630 1092632468 /nfs/dbraw/zinc/63/24/68/1092632468.db2.gz FNLNFWNPWZIFBT-BFHYXJOUSA-N -1 1 346.452 2.858 20 30 EFEDMM O=S1(=O)[N-]/C(=N/[C@H]2C[C@H](c3ccccc3F)C2)c2ccccc21 ZINC001649785962 1092678270 /nfs/dbraw/zinc/67/82/70/1092678270.db2.gz RBJCAGVJADIOFT-HAQNSBGRSA-N -1 1 330.384 2.810 20 30 EFEDMM N#Cc1sc(NC(=O)c2c[n-]c3ccccc3c2=O)nc1Cl ZINC001587235855 1092794449 /nfs/dbraw/zinc/79/44/49/1092794449.db2.gz ADAAPNUKIAGRKL-UHFFFAOYSA-N -1 1 330.756 2.762 20 30 EFEDMM C#C[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(Cl)cc1F ZINC001588329123 1092926301 /nfs/dbraw/zinc/92/63/01/1092926301.db2.gz YGLOMLSMUWJGAK-LBPRGKRZSA-N -1 1 343.753 2.544 20 30 EFEDMM C#C[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(Cl)cc1F ZINC001588329123 1092926312 /nfs/dbraw/zinc/92/63/12/1092926312.db2.gz YGLOMLSMUWJGAK-LBPRGKRZSA-N -1 1 343.753 2.544 20 30 EFEDMM C#C[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328803 1092927277 /nfs/dbraw/zinc/92/72/77/1092927277.db2.gz QUHRKOBFGROERV-SNVBAGLBSA-N -1 1 344.331 2.762 20 30 EFEDMM C#C[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328803 1092927281 /nfs/dbraw/zinc/92/72/81/1092927281.db2.gz QUHRKOBFGROERV-SNVBAGLBSA-N -1 1 344.331 2.762 20 30 EFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(-c2nnn[n-]2)o1 ZINC001588430029 1092944915 /nfs/dbraw/zinc/94/49/15/1092944915.db2.gz KKAYWDXWKBDGNF-UHFFFAOYSA-N -1 1 341.419 2.815 20 30 EFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588436882 1092945932 /nfs/dbraw/zinc/94/59/32/1092945932.db2.gz VIETYFGVHXKEPR-IVMMDQJWSA-N -1 1 341.415 2.728 20 30 EFEDMM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588436882 1092945938 /nfs/dbraw/zinc/94/59/38/1092945938.db2.gz VIETYFGVHXKEPR-IVMMDQJWSA-N -1 1 341.415 2.728 20 30 EFEDMM C=CC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001588530434 1092955395 /nfs/dbraw/zinc/95/53/95/1092955395.db2.gz LSWNRBNUJQLVBX-CQSZACIVSA-N -1 1 339.424 2.904 20 30 EFEDMM C=CCC1(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCCC1 ZINC001588556679 1092958299 /nfs/dbraw/zinc/95/82/99/1092958299.db2.gz CRLHLCOEEKVHCI-UHFFFAOYSA-N -1 1 327.392 2.662 20 30 EFEDMM C=CCC1(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCCC1 ZINC001588556679 1092958304 /nfs/dbraw/zinc/95/83/04/1092958304.db2.gz CRLHLCOEEKVHCI-UHFFFAOYSA-N -1 1 327.392 2.662 20 30 EFEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588560912 1092959880 /nfs/dbraw/zinc/95/98/80/1092959880.db2.gz VKFGNOIYORREIT-WDEREUQCSA-N -1 1 347.448 2.888 20 30 EFEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588560912 1092959887 /nfs/dbraw/zinc/95/98/87/1092959887.db2.gz VKFGNOIYORREIT-WDEREUQCSA-N -1 1 347.448 2.888 20 30 EFEDMM C=CCC[C@H]1CCCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588582719 1092964232 /nfs/dbraw/zinc/96/42/32/1092964232.db2.gz NWLDCXIZNAXUHP-NSHDSACASA-N -1 1 333.342 2.716 20 30 EFEDMM C=CCC[C@H]1CCCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588582719 1092964239 /nfs/dbraw/zinc/96/42/39/1092964239.db2.gz NWLDCXIZNAXUHP-NSHDSACASA-N -1 1 333.342 2.716 20 30 EFEDMM C=CCCN(OCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588603237 1092966993 /nfs/dbraw/zinc/96/69/93/1092966993.db2.gz IXBXSZGPIMRLSM-UHFFFAOYSA-N -1 1 339.355 2.610 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)o2)o1 ZINC001589237834 1093055128 /nfs/dbraw/zinc/05/51/28/1093055128.db2.gz FYJSZURWYJQFAW-UHFFFAOYSA-N -1 1 335.755 2.845 20 30 EFEDMM CC(C)Cn1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589671469 1093123027 /nfs/dbraw/zinc/12/30/27/1093123027.db2.gz JFDUXANNBLNCGW-ARJAWSKDSA-N -1 1 328.401 2.677 20 30 EFEDMM CC(C)Cn1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589671469 1093123030 /nfs/dbraw/zinc/12/30/30/1093123030.db2.gz JFDUXANNBLNCGW-ARJAWSKDSA-N -1 1 328.401 2.677 20 30 EFEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cccc(C2CC2)c1 ZINC001589987047 1093210904 /nfs/dbraw/zinc/21/09/04/1093210904.db2.gz BURIDYLFHQXSIT-SNVBAGLBSA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001590009772 1093221742 /nfs/dbraw/zinc/22/17/42/1093221742.db2.gz AZUKCUIRPDNPES-SNVBAGLBSA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001590009772 1093221745 /nfs/dbraw/zinc/22/17/45/1093221745.db2.gz AZUKCUIRPDNPES-SNVBAGLBSA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590241851 1093329337 /nfs/dbraw/zinc/32/93/37/1093329337.db2.gz YLJLPWMROJXFSG-ADLMAVQZSA-N -1 1 349.398 2.550 20 30 EFEDMM CCC[C@H]1CCCC[C@@H]1CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590569291 1093493066 /nfs/dbraw/zinc/49/30/66/1093493066.db2.gz KLOYVBSNFOFYOE-NWDGAFQWSA-N -1 1 326.408 2.547 20 30 EFEDMM CCCCCCC[C@H](C)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590593132 1093506281 /nfs/dbraw/zinc/50/62/81/1093506281.db2.gz XTQWGZNXWWXXTN-LBPRGKRZSA-N -1 1 328.424 2.937 20 30 EFEDMM CCCCCCC[C@H](C)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590593132 1093506290 /nfs/dbraw/zinc/50/62/90/1093506290.db2.gz XTQWGZNXWWXXTN-LBPRGKRZSA-N -1 1 328.424 2.937 20 30 EFEDMM CCN(C(=O)c1ccc(-c2nnn[n-]2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC001590674349 1093543133 /nfs/dbraw/zinc/54/31/33/1093543133.db2.gz YSCZRDLHKNPFGP-LLVKDONJSA-N -1 1 336.355 2.555 20 30 EFEDMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC001590674349 1093543142 /nfs/dbraw/zinc/54/31/42/1093543142.db2.gz YSCZRDLHKNPFGP-LLVKDONJSA-N -1 1 336.355 2.555 20 30 EFEDMM CCOc1ccccc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001590842779 1093594463 /nfs/dbraw/zinc/59/44/63/1093594463.db2.gz LIRAOKNBYTUPPV-UHFFFAOYSA-N -1 1 341.375 2.823 20 30 EFEDMM CCc1ccc2ccccc2c1Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001590893119 1093622280 /nfs/dbraw/zinc/62/22/80/1093622280.db2.gz SEGGQFNUMJXXLV-UHFFFAOYSA-N -1 1 329.367 2.699 20 30 EFEDMM CCn1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)cn1 ZINC001590949689 1093639148 /nfs/dbraw/zinc/63/91/48/1093639148.db2.gz LQRHPOGXVOXIQJ-GQCTYLIASA-N -1 1 346.753 2.772 20 30 EFEDMM CCn1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)cn1 ZINC001590949689 1093639153 /nfs/dbraw/zinc/63/91/53/1093639153.db2.gz LQRHPOGXVOXIQJ-GQCTYLIASA-N -1 1 346.753 2.772 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2csc(-c3nn[n-]n3)c2)c1C ZINC001590963259 1093640801 /nfs/dbraw/zinc/64/08/01/1093640801.db2.gz DPJQYIHQLYCKBX-AATRIKPKSA-N -1 1 328.401 2.658 20 30 EFEDMM COc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591605693 1093792629 /nfs/dbraw/zinc/79/26/29/1093792629.db2.gz BZVOJILHURTLPS-RQOWECAXSA-N -1 1 330.344 2.972 20 30 EFEDMM COc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591605693 1093792631 /nfs/dbraw/zinc/79/26/31/1093792631.db2.gz BZVOJILHURTLPS-RQOWECAXSA-N -1 1 330.344 2.972 20 30 EFEDMM CSc1ccc(CSc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001591714732 1093839928 /nfs/dbraw/zinc/83/99/28/1093839928.db2.gz DFBKAIOBBBCGNQ-UHFFFAOYSA-N -1 1 341.425 2.543 20 30 EFEDMM Cc1cc(C)n(N=Cc2ccc(C3CCC3)cc2)c(=O)c1-c1nn[n-]n1 ZINC001591956776 1093932237 /nfs/dbraw/zinc/93/22/37/1093932237.db2.gz KDHCALJRBQTRPR-UHFFFAOYSA-N -1 1 348.410 2.795 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1C#N ZINC001591958894 1093932744 /nfs/dbraw/zinc/93/27/44/1093932744.db2.gz RVWGZXSRWMGYAV-UHFFFAOYSA-N -1 1 336.359 2.604 20 30 EFEDMM Cc1cc(OC(=O)c2csc(-c3nnn[n-]3)c2)c(C)c(C)c1C#N ZINC001592060347 1093972658 /nfs/dbraw/zinc/97/26/58/1093972658.db2.gz LXZGKESXARDZBX-UHFFFAOYSA-N -1 1 339.380 2.944 20 30 EFEDMM Cc1cc(OC(=O)c2csc(-c3nn[n-]n3)c2)c(C)c(C)c1C#N ZINC001592060347 1093972662 /nfs/dbraw/zinc/97/26/62/1093972662.db2.gz LXZGKESXARDZBX-UHFFFAOYSA-N -1 1 339.380 2.944 20 30 EFEDMM Cc1cc2ccccc2[nH]c1=NN=Cc1nc(-c2nnn[n-]2)cs1 ZINC001592071956 1093974609 /nfs/dbraw/zinc/97/46/09/1093974609.db2.gz TZYCFACEHPYCLB-UHFFFAOYSA-N -1 1 336.384 2.626 20 30 EFEDMM Cc1cc2ccccc2[nH]c1=NN=Cc1nc(-c2nn[n-]n2)cs1 ZINC001592071956 1093974613 /nfs/dbraw/zinc/97/46/13/1093974613.db2.gz TZYCFACEHPYCLB-UHFFFAOYSA-N -1 1 336.384 2.626 20 30 EFEDMM Cc1ccc2c(ccc(C)c2Cn2cnc(C#N)c2-c2nn[n-]n2)c1 ZINC001592203745 1094028720 /nfs/dbraw/zinc/02/87/20/1094028720.db2.gz FKLZLKHEPWAFSC-UHFFFAOYSA-N -1 1 329.367 2.753 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1C/C=C/c1ccc(Cl)cc1 ZINC001592335159 1094079265 /nfs/dbraw/zinc/07/92/65/1094079265.db2.gz MTNABTYJKSZDNK-NSCUHMNNSA-N -1 1 325.763 2.610 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCc1cccc(Cl)c1Cl ZINC001592334944 1094080437 /nfs/dbraw/zinc/08/04/37/1094080437.db2.gz IQNRLHSUWPNEHC-UHFFFAOYSA-N -1 1 348.197 2.793 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001592503894 1094115833 /nfs/dbraw/zinc/11/58/33/1094115833.db2.gz XSLXYZAAHMWWIP-UHFFFAOYSA-N -1 1 334.339 2.770 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001592503894 1094115836 /nfs/dbraw/zinc/11/58/36/1094115836.db2.gz XSLXYZAAHMWWIP-UHFFFAOYSA-N -1 1 334.339 2.770 20 30 EFEDMM N#CC1(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCCC1 ZINC001592669345 1094173744 /nfs/dbraw/zinc/17/37/44/1094173744.db2.gz GVVBSKYPSUMYAK-UHFFFAOYSA-N -1 1 337.309 2.776 20 30 EFEDMM N#CC1(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCCC1 ZINC001592669345 1094173745 /nfs/dbraw/zinc/17/37/45/1094173745.db2.gz GVVBSKYPSUMYAK-UHFFFAOYSA-N -1 1 337.309 2.776 20 30 EFEDMM N#Cc1ncc(Oc2ccc(Cl)cc2Cl)nc1-c1nn[n-]n1 ZINC001592708865 1094183061 /nfs/dbraw/zinc/18/30/61/1094183061.db2.gz WRKGAQASJVWBKO-UHFFFAOYSA-N -1 1 334.126 2.627 20 30 EFEDMM O=C(c1coc(-c2nnn[n-]2)c1)N(O)Cc1cccc2ccccc21 ZINC001593366787 1094296240 /nfs/dbraw/zinc/29/62/40/1094296240.db2.gz AWYRQSBAGLTBIU-UHFFFAOYSA-N -1 1 335.323 2.645 20 30 EFEDMM O=C(c1coc(-c2nn[n-]n2)c1)N(O)Cc1cccc2ccccc21 ZINC001593366787 1094296245 /nfs/dbraw/zinc/29/62/45/1094296245.db2.gz AWYRQSBAGLTBIU-UHFFFAOYSA-N -1 1 335.323 2.645 20 30 EFEDMM O=C1C(=Cc2cccc(F)c2-c2nn[n-]n2)Oc2cc(F)cc(F)c21 ZINC001593379812 1094304392 /nfs/dbraw/zinc/30/43/92/1094304392.db2.gz KDDGRFOSDCAOGX-QCDXTXTGSA-N -1 1 344.252 2.900 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1Cc1ccc(C#N)cc1Cl ZINC001594339552 1094423735 /nfs/dbraw/zinc/42/37/35/1094423735.db2.gz KAEGBFVGMQULIX-GCUJQHFUSA-N -1 1 334.803 2.807 20 30 EFEDMM Cc1sc([C@@H]2CCCN2CCCSCC#N)nc1C(=O)[O-] ZINC001600885179 1095407516 /nfs/dbraw/zinc/40/75/16/1095407516.db2.gz XIKYJPNUHGCFQU-NSHDSACASA-N -1 1 325.459 2.934 20 30 EFEDMM N#CC(C(=O)Cc1ccccc1C(=O)[O-])=C(O)C1(c2ccccc2)CC1 ZINC001601047326 1095477338 /nfs/dbraw/zinc/47/73/38/1095477338.db2.gz MUTPYXGRFZXLIU-QGZVFWFLSA-N -1 1 347.370 2.937 20 30 EFEDMM N#CC(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)=C(O)C1(c2ccccc2)CC1 ZINC001601046433 1095478759 /nfs/dbraw/zinc/47/87/59/1095478759.db2.gz UNXBHDLJRUDHBD-DZKIICNBSA-N -1 1 339.391 2.887 20 30 EFEDMM N#CC1(C(=O)[O-])CCN(CCSc2ccc(F)cc2F)CC1 ZINC001601052322 1095481439 /nfs/dbraw/zinc/48/14/39/1095481439.db2.gz OFPBGYLLLPASBI-UHFFFAOYSA-N -1 1 326.368 2.747 20 30 EFEDMM N#Cc1ccc(C2(NCc3ccc(C(=O)[O-])o3)CCOCC2)cc1 ZINC001601097468 1095509523 /nfs/dbraw/zinc/50/95/23/1095509523.db2.gz IICBBFQASRGFJY-UHFFFAOYSA-N -1 1 326.352 2.645 20 30 EFEDMM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC001601100169 1095511869 /nfs/dbraw/zinc/51/18/69/1095511869.db2.gz HHEJORFQPMFALH-JQFCIGGWSA-N -1 1 332.375 2.542 20 30 EFEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)c(OC(F)F)c1 ZINC001601101226 1095514074 /nfs/dbraw/zinc/51/40/74/1095514074.db2.gz DBVDILUCXMZLPF-HNNXBMFYSA-N -1 1 348.305 2.781 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)c3ccccc3CCC(=O)[O-])[nH]c2c1 ZINC001601113871 1095520318 /nfs/dbraw/zinc/52/03/18/1095520318.db2.gz CURZHUBIGDBCMQ-UHFFFAOYSA-N -1 1 334.335 2.704 20 30 EFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001601117538 1095521792 /nfs/dbraw/zinc/52/17/92/1095521792.db2.gz CWEJTZAZHILUAJ-CTNGQTDRSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1cccc([N+](=O)[O-])c1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001601124143 1095529191 /nfs/dbraw/zinc/52/91/91/1095529191.db2.gz DPEMWYZCPGQCFU-IJEWVQPXSA-N -1 1 343.383 2.932 20 30 EFEDMM N#Cc1cncc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001601131209 1095534454 /nfs/dbraw/zinc/53/44/54/1095534454.db2.gz SOZDKLINTAAVBB-CQSZACIVSA-N -1 1 346.184 2.631 20 30 EFEDMM Nc1nc(Cl)cc(N=NCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001601220149 1095561754 /nfs/dbraw/zinc/56/17/54/1095561754.db2.gz DDLISINXSXTUHS-UHFFFAOYSA-N -1 1 326.143 2.510 20 30 EFEDMM C#Cc1ccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001602738478 1096359703 /nfs/dbraw/zinc/35/97/03/1096359703.db2.gz BWLDIEHVXXGBAI-UHFFFAOYSA-N -1 1 326.421 2.750 20 30 EFEDMM C=C(C)COCCN[C@@H](C(=O)[O-])c1ccccc1Br ZINC001602762346 1096366207 /nfs/dbraw/zinc/36/62/07/1096366207.db2.gz IICUZFCIAQYRCO-CYBMUJFWSA-N -1 1 328.206 2.757 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001602775476 1096369334 /nfs/dbraw/zinc/36/93/34/1096369334.db2.gz CTPDRDQUBKMPTA-BBWFWOEESA-N -1 1 344.455 2.917 20 30 EFEDMM C=CCC1(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCCCC1 ZINC001602818396 1096376336 /nfs/dbraw/zinc/37/63/36/1096376336.db2.gz PWSNZMPKYUQYSR-UHFFFAOYSA-N -1 1 327.392 2.662 20 30 EFEDMM C=CCC1(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCCCC1 ZINC001602818396 1096376345 /nfs/dbraw/zinc/37/63/45/1096376345.db2.gz PWSNZMPKYUQYSR-UHFFFAOYSA-N -1 1 327.392 2.662 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001602869093 1096389027 /nfs/dbraw/zinc/38/90/27/1096389027.db2.gz AMNMXLRCPIIFEA-UHFFFAOYSA-N -1 1 326.312 2.552 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001602869093 1096389035 /nfs/dbraw/zinc/38/90/35/1096389035.db2.gz AMNMXLRCPIIFEA-UHFFFAOYSA-N -1 1 326.312 2.552 20 30 EFEDMM C=CCOc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cc1Cl ZINC001602869237 1096389508 /nfs/dbraw/zinc/38/95/08/1096389508.db2.gz CEHSJEQJWABVNJ-UHFFFAOYSA-N -1 1 345.794 2.729 20 30 EFEDMM C=CCOc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cc1Cl ZINC001602869237 1096389521 /nfs/dbraw/zinc/38/95/21/1096389521.db2.gz CEHSJEQJWABVNJ-UHFFFAOYSA-N -1 1 345.794 2.729 20 30 EFEDMM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC001602908130 1096398196 /nfs/dbraw/zinc/39/81/96/1096398196.db2.gz MARZGGMKLVBHAV-UHFFFAOYSA-N -1 1 347.335 2.812 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCSC2)o1 ZINC001603122690 1096451393 /nfs/dbraw/zinc/45/13/93/1096451393.db2.gz SNBUASUXSGIRLJ-VIFPVBQESA-N -1 1 335.437 2.693 20 30 EFEDMM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001603125049 1096453159 /nfs/dbraw/zinc/45/31/59/1096453159.db2.gz BMNQNAAALPMECP-PLNGDYQASA-N -1 1 340.412 2.912 20 30 EFEDMM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001603125049 1096453169 /nfs/dbraw/zinc/45/31/69/1096453169.db2.gz BMNQNAAALPMECP-PLNGDYQASA-N -1 1 340.412 2.912 20 30 EFEDMM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001603257387 1096488706 /nfs/dbraw/zinc/48/87/06/1096488706.db2.gz CGPSOZUGUZTOAL-ZDUSSCGKSA-N -1 1 331.372 2.789 20 30 EFEDMM CC(C)(C)[C@@H](CC(=O)[O-])NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC001603306102 1096500821 /nfs/dbraw/zinc/50/08/21/1096500821.db2.gz OPPTZPWSSANCHQ-CYBMUJFWSA-N -1 1 328.372 2.587 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603734576 1096607552 /nfs/dbraw/zinc/60/75/52/1096607552.db2.gz GYZRRRLTARPJEU-JTQLQIEISA-N -1 1 338.396 2.633 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603734576 1096607556 /nfs/dbraw/zinc/60/75/56/1096607556.db2.gz GYZRRRLTARPJEU-JTQLQIEISA-N -1 1 338.396 2.633 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603734577 1096607688 /nfs/dbraw/zinc/60/76/88/1096607688.db2.gz GYZRRRLTARPJEU-SNVBAGLBSA-N -1 1 338.396 2.633 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603734577 1096607694 /nfs/dbraw/zinc/60/76/94/1096607694.db2.gz GYZRRRLTARPJEU-SNVBAGLBSA-N -1 1 338.396 2.633 20 30 EFEDMM COc1cccc2c1C[C@H](C(=O)N([O-])C(=N)c1ccccc1N)CC2 ZINC001143543648 1096633736 /nfs/dbraw/zinc/63/37/36/1096633736.db2.gz ADNQRPPUVPHIGE-CYBMUJFWSA-N -1 1 339.395 2.626 20 30 EFEDMM C[C@H]1C[C@@H](CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001603850970 1096645608 /nfs/dbraw/zinc/64/56/08/1096645608.db2.gz OSSQMPNPSSSJBD-NWDGAFQWSA-N -1 1 340.435 2.793 20 30 EFEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001603965030 1096684582 /nfs/dbraw/zinc/68/45/82/1096684582.db2.gz HJJOOZFTKLPUAS-SNVBAGLBSA-N -1 1 347.423 2.757 20 30 EFEDMM CCC(=O)c1cccc(C#N)c1OCc1ccc(-c2nn[n-]n2)s1 ZINC001603978346 1096685724 /nfs/dbraw/zinc/68/57/24/1096685724.db2.gz YKAHHXRLMXIWLI-UHFFFAOYSA-N -1 1 339.380 2.972 20 30 EFEDMM CC(C)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(C(=O)[O-])c1 ZINC001604002787 1096694051 /nfs/dbraw/zinc/69/40/51/1096694051.db2.gz NROIOULAARIHGZ-UHFFFAOYSA-N -1 1 345.380 2.576 20 30 EFEDMM CCCCCCCn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001604176934 1096762957 /nfs/dbraw/zinc/76/29/57/1096762957.db2.gz ZXXJXHBRZHHZKQ-UHFFFAOYSA-N -1 1 340.225 2.761 20 30 EFEDMM CO[C@@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1F)C1CCCC1 ZINC000585129149 1096902423 /nfs/dbraw/zinc/90/24/23/1096902423.db2.gz ZEANYYVZOUNQSS-HNNXBMFYSA-N -1 1 326.393 2.644 20 30 EFEDMM CCc1oc2ccccc2c1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001604587252 1096910174 /nfs/dbraw/zinc/91/01/74/1096910174.db2.gz AKNQLOZNCUAVJT-UHFFFAOYSA-N -1 1 337.343 2.918 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1CC#Cc1cccc(Cl)c1 ZINC001604710198 1096937216 /nfs/dbraw/zinc/93/72/16/1096937216.db2.gz GMFLKYUSDAHQMT-ZCPGHIKRSA-N -1 1 333.815 2.787 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1CC#Cc1cccc(Cl)c1 ZINC001604710196 1096937317 /nfs/dbraw/zinc/93/73/17/1096937317.db2.gz GMFLKYUSDAHQMT-VDNDLQMASA-N -1 1 333.815 2.787 20 30 EFEDMM CO[C@@H]1CCCC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CC1 ZINC001605029296 1097004799 /nfs/dbraw/zinc/00/47/99/1097004799.db2.gz MVTLMJIPDVRZSX-GFCCVEGCSA-N -1 1 347.423 2.800 20 30 EFEDMM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC001605238126 1097064202 /nfs/dbraw/zinc/06/42/02/1097064202.db2.gz CMINRXXAZRSWMR-UITAMQMPSA-N -1 1 342.355 2.898 20 30 EFEDMM Cc1cnc(Cl)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC001605978669 1097291504 /nfs/dbraw/zinc/29/15/04/1097291504.db2.gz ASVRFFNQTZAYHF-UHFFFAOYSA-N -1 1 346.782 2.781 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)n(Cc2ccc(C#N)cc2C(F)(F)F)c1C ZINC001606021530 1097299993 /nfs/dbraw/zinc/29/99/93/1097299993.db2.gz VXHWSHGERJPLRF-UHFFFAOYSA-N -1 1 347.304 2.619 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)n(Cc2ccc(C#N)cc2C(F)(F)F)c1C ZINC001606021530 1097299997 /nfs/dbraw/zinc/29/99/97/1097299997.db2.gz VXHWSHGERJPLRF-UHFFFAOYSA-N -1 1 347.304 2.619 20 30 EFEDMM O=[P@@]([O-])(O)C1(Nc2cccc(/C=N/O)c2)Cc2ccccc2C1 ZINC001167937565 1097367000 /nfs/dbraw/zinc/36/70/00/1097367000.db2.gz DYLUQJKBBVVKEO-GZTJUZNOSA-N -1 1 332.296 2.579 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606381967 1097396396 /nfs/dbraw/zinc/39/63/96/1097396396.db2.gz WSJKJJYNFQUDGS-CQSZACIVSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606381967 1097396401 /nfs/dbraw/zinc/39/64/01/1097396401.db2.gz WSJKJJYNFQUDGS-CQSZACIVSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ncc(N[C@@H](C2CCC2)C2CCCCC2)nc1-c1nn[n-]n1 ZINC001606398283 1097398060 /nfs/dbraw/zinc/39/80/60/1097398060.db2.gz UXXVOIAZZKRYHM-OAHLLOKOSA-N -1 1 338.419 2.689 20 30 EFEDMM N#Cc1ncn(CCCCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001606398862 1097399004 /nfs/dbraw/zinc/39/90/04/1097399004.db2.gz YUCXYUNHZLEJOK-UHFFFAOYSA-N -1 1 327.779 2.611 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)c1cccnc1 ZINC001606482199 1097405427 /nfs/dbraw/zinc/40/54/27/1097405427.db2.gz KIDBUICLWFAYGB-XQRVVYSFSA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)c1cccnc1 ZINC001606482199 1097405430 /nfs/dbraw/zinc/40/54/30/1097405430.db2.gz KIDBUICLWFAYGB-XQRVVYSFSA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1ccnn1CC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606486998 1097406655 /nfs/dbraw/zinc/40/66/55/1097406655.db2.gz BXKMQTRNSSOYMD-SNAWJCMRSA-N -1 1 340.412 2.821 20 30 EFEDMM O=C(C=Cc1ccnn1CC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606486998 1097406658 /nfs/dbraw/zinc/40/66/58/1097406658.db2.gz BXKMQTRNSSOYMD-SNAWJCMRSA-N -1 1 340.412 2.821 20 30 EFEDMM COC(=O)c1cc(CN(C)Cc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001606540124 1097416017 /nfs/dbraw/zinc/41/60/17/1097416017.db2.gz OFUQGZBPEIKMLX-UHFFFAOYSA-N -1 1 338.363 2.675 20 30 EFEDMM COc1cc(CN=Nc2cccc(F)c2C(=O)[O-])cc2c1OCCO2 ZINC001607154077 1097545070 /nfs/dbraw/zinc/54/50/70/1097545070.db2.gz YNBVMTCHLCCXNN-UHFFFAOYSA-N -1 1 346.314 2.750 20 30 EFEDMM COc1ccc(C#N)cc1CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001607201190 1097559003 /nfs/dbraw/zinc/55/90/03/1097559003.db2.gz CMYTVDXHXLWJHF-UHFFFAOYSA-N -1 1 346.333 2.932 20 30 EFEDMM Cc1c(C(=O)[O-])cc(C=NNc2ccc(C(F)(F)F)cn2)n1C ZINC001607511098 1097646668 /nfs/dbraw/zinc/64/66/68/1097646668.db2.gz LFUGHSPJCNWKSU-UHFFFAOYSA-N -1 1 326.278 2.892 20 30 EFEDMM Cc1ccc(C(=O)C=CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001607725424 1097710629 /nfs/dbraw/zinc/71/06/29/1097710629.db2.gz YXFOWMFJSPKWIP-MDZDMXLPSA-N -1 1 349.346 2.947 20 30 EFEDMM Cc1c(CN2CCC(C#N)(C(=O)[O-])CC2)sc2nc(C)nc(C)c12 ZINC001607951825 1097786336 /nfs/dbraw/zinc/78/63/36/1097786336.db2.gz CZWJIMJRWCZYJI-UHFFFAOYSA-N -1 1 344.440 2.807 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN2C3CCC2(C(=O)[O-])CC3)c1C#N ZINC001607995417 1097799633 /nfs/dbraw/zinc/79/96/33/1097799633.db2.gz LDPGSZPEYBZZPS-UHFFFAOYSA-N -1 1 336.395 2.634 20 30 EFEDMM Cc1sc(NC(=O)CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(C#N)c1C ZINC001608071781 1097825624 /nfs/dbraw/zinc/82/56/24/1097825624.db2.gz OQPWLZGGTFWWCX-DYVFJYSZSA-N -1 1 347.440 2.504 20 30 EFEDMM N#CC1(CCCN2CCOc3cc(C(=O)[O-])ccc3C2)CCOCC1 ZINC001608175215 1097852219 /nfs/dbraw/zinc/85/22/19/1097852219.db2.gz SRVCGWRKSQTBLZ-UHFFFAOYSA-N -1 1 344.411 2.680 20 30 EFEDMM N#Cc1c(CN2CCCN(c3ccccc3)CC2)cccc1C(=O)[O-] ZINC001608191392 1097856535 /nfs/dbraw/zinc/85/65/35/1097856535.db2.gz KURCXAGICLZITR-UHFFFAOYSA-N -1 1 335.407 2.969 20 30 EFEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(F)c1 ZINC001608207441 1097863129 /nfs/dbraw/zinc/86/31/29/1097863129.db2.gz IQPQXPBOWLAHEM-KRWDZBQOSA-N -1 1 326.327 2.548 20 30 EFEDMM C=C(C)[C@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001609051408 1098121385 /nfs/dbraw/zinc/12/13/85/1098121385.db2.gz YLCHHLZKIAQNKR-INIZCTEOSA-N -1 1 342.353 3.000 20 30 EFEDMM C=C(C)[C@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001609051408 1098121388 /nfs/dbraw/zinc/12/13/88/1098121388.db2.gz YLCHHLZKIAQNKR-INIZCTEOSA-N -1 1 342.353 3.000 20 30 EFEDMM C=CCN(CCc1ccco1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609055520 1098124598 /nfs/dbraw/zinc/12/45/98/1098124598.db2.gz GUZVCHJGJOSSGL-UHFFFAOYSA-N -1 1 336.808 2.805 20 30 EFEDMM C=CCN(CCc1ccco1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609055520 1098124602 /nfs/dbraw/zinc/12/46/02/1098124602.db2.gz GUZVCHJGJOSSGL-UHFFFAOYSA-N -1 1 336.808 2.805 20 30 EFEDMM C=CCOCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001609059022 1098126365 /nfs/dbraw/zinc/12/63/65/1098126365.db2.gz KKMAIAVHDRJVRT-UHFFFAOYSA-N -1 1 345.350 2.884 20 30 EFEDMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C#N)s1 ZINC001609080504 1098134410 /nfs/dbraw/zinc/13/44/10/1098134410.db2.gz IMWZYJBHGNQRDW-UHFFFAOYSA-N -1 1 342.384 2.943 20 30 EFEDMM CC(C)CN(Cc1nc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1 ZINC001609095719 1098143256 /nfs/dbraw/zinc/14/32/56/1098143256.db2.gz LDJUEBZEYVGOJS-UHFFFAOYSA-N -1 1 339.428 2.857 20 30 EFEDMM CC(C)CN(Cc1nc(-c2nn[n-]n2)cs1)c1ccc(C#N)cc1 ZINC001609095719 1098143259 /nfs/dbraw/zinc/14/32/59/1098143259.db2.gz LDJUEBZEYVGOJS-UHFFFAOYSA-N -1 1 339.428 2.857 20 30 EFEDMM CC[C@H](C)[C@@H](CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)OC ZINC001609185518 1098187079 /nfs/dbraw/zinc/18/70/79/1098187079.db2.gz JCHTZZJDNIYUQI-VHSXEESVSA-N -1 1 335.412 2.611 20 30 EFEDMM C=C[C@H](NCc1nc2cc(Br)ccc2n1CC)C(=O)[O-] ZINC001609272008 1098234658 /nfs/dbraw/zinc/23/46/58/1098234658.db2.gz GGMDXBIASYVDTL-JTQLQIEISA-N -1 1 338.205 2.548 20 30 EFEDMM COC(=O)c1ccccc1NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC001609305310 1098241244 /nfs/dbraw/zinc/24/12/44/1098241244.db2.gz CIAJLUVIAFAPAV-UHFFFAOYSA-N -1 1 342.384 2.551 20 30 EFEDMM COc1ncc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC001609366456 1098269552 /nfs/dbraw/zinc/26/95/52/1098269552.db2.gz UQLAAHSJNVPGCV-DUXPYHPUSA-N -1 1 347.787 2.881 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc(C)c1O ZINC001609399627 1098289756 /nfs/dbraw/zinc/28/97/56/1098289756.db2.gz ILCGTFAGNKSRHY-UHFFFAOYSA-N -1 1 341.375 2.747 20 30 EFEDMM Cc1ccc(C)c(NN=C2CCCc3c2c[nH]c(=O)c3-c2nn[n-]n2)c1 ZINC001609421697 1098307963 /nfs/dbraw/zinc/30/79/63/1098307963.db2.gz VDJOECTYGLWPSK-UHFFFAOYSA-N -1 1 349.398 2.737 20 30 EFEDMM FC(F)(F)c1cccc(NN=Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609485088 1098351297 /nfs/dbraw/zinc/35/12/97/1098351297.db2.gz CBYZUJCKXCRAGF-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM FC(F)(F)c1cccc(NN=Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609485088 1098351302 /nfs/dbraw/zinc/35/13/02/1098351302.db2.gz CBYZUJCKXCRAGF-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM N#CCCCOc1cccnc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001609495343 1098359841 /nfs/dbraw/zinc/35/98/41/1098359841.db2.gz DZYRSBCCOYDWMX-UHFFFAOYSA-N -1 1 341.400 2.618 20 30 EFEDMM C=CCN1CCC2(CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)C1=O ZINC001269687052 1098368077 /nfs/dbraw/zinc/36/80/77/1098368077.db2.gz PRJLMVWKROPYBN-UHFFFAOYSA-N -1 1 348.830 2.686 20 30 EFEDMM O=C1c2ccc(Cl)cc2CC1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609585931 1098392215 /nfs/dbraw/zinc/39/22/15/1098392215.db2.gz LIQKJRYWVZPNRU-YVMONPNESA-N -1 1 329.772 2.799 20 30 EFEDMM O=C1c2ccc(Cl)cc2CC1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609585931 1098392220 /nfs/dbraw/zinc/39/22/20/1098392220.db2.gz LIQKJRYWVZPNRU-YVMONPNESA-N -1 1 329.772 2.799 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)COc2ccc(Cl)cc21 ZINC001609585765 1098392884 /nfs/dbraw/zinc/39/28/84/1098392884.db2.gz DXJOULXKHOGAHC-XVNBXDOJSA-N -1 1 345.771 2.635 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)COc2ccc(Cl)cc21 ZINC001609585765 1098392891 /nfs/dbraw/zinc/39/28/91/1098392891.db2.gz DXJOULXKHOGAHC-XVNBXDOJSA-N -1 1 345.771 2.635 20 30 EFEDMM C[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1OCC(=O)[O-] ZINC001609780427 1098456127 /nfs/dbraw/zinc/45/61/27/1098456127.db2.gz JFTBSVCBZOQQPF-AWEZNQCLSA-N -1 1 340.379 2.903 20 30 EFEDMM C[C@@H]1CCC[C@H](C)N1CC(N)=NOCc1cccc(C(=O)[O-])c1C#N ZINC001609851689 1098477311 /nfs/dbraw/zinc/47/73/11/1098477311.db2.gz ZQCLDHNFYXWUCZ-BETUJISGSA-N -1 1 344.415 2.518 20 30 EFEDMM CCc1cc(NN=Cc2cc(C(=O)[O-])co2)nc(-c2ccccn2)n1 ZINC001610059312 1098534008 /nfs/dbraw/zinc/53/40/08/1098534008.db2.gz QUAMMUQCEMTVOI-UHFFFAOYSA-N -1 1 337.339 2.838 20 30 EFEDMM CN(C)C(=O)Sc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001610094821 1098546034 /nfs/dbraw/zinc/54/60/34/1098546034.db2.gz CGIAAGQTNXEIOG-UHFFFAOYSA-N -1 1 347.440 2.651 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3ccc([O-])cc3Cl)C2)C1=O ZINC001269983556 1098567221 /nfs/dbraw/zinc/56/72/21/1098567221.db2.gz SEPHYARQMOVCBX-SFHVURJKSA-N -1 1 348.830 2.686 20 30 EFEDMM Cc1cc([C@H](C)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)oc1C(=O)[O-] ZINC001610443852 1098680974 /nfs/dbraw/zinc/68/09/74/1098680974.db2.gz BGKWLYWAHVMPDD-GXTWGEPZSA-N -1 1 341.367 2.767 20 30 EFEDMM N#CC1(C(=O)[O-])CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC001610617482 1098786352 /nfs/dbraw/zinc/78/63/52/1098786352.db2.gz FRNKNVJFOFAUBZ-UHFFFAOYSA-N -1 1 344.802 2.920 20 30 EFEDMM N#Cc1c(CN2CCC[C@H](C[C@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC001610622922 1098787488 /nfs/dbraw/zinc/78/74/88/1098787488.db2.gz FTXKYUZEILUKSQ-HUUCEWRRSA-N -1 1 328.412 2.895 20 30 EFEDMM O=C([O-])c1cc(C=NNc2ncc(C(F)(F)F)cc2Cl)on1 ZINC001610810709 1098903438 /nfs/dbraw/zinc/90/34/38/1098903438.db2.gz GGGSHPADKQJZPH-UHFFFAOYSA-N -1 1 334.641 2.886 20 30 EFEDMM N#Cc1ccccc1Oc1ccc(NC(=O)CCCc2nn[n-]n2)cc1 ZINC001626699300 1099908462 /nfs/dbraw/zinc/90/84/62/1099908462.db2.gz ZTFKNNKQYPXGLG-UHFFFAOYSA-N -1 1 348.366 2.825 20 30 EFEDMM N#CCc1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC001627757013 1100031150 /nfs/dbraw/zinc/03/11/50/1100031150.db2.gz BUUMZPWNMUISJL-UHFFFAOYSA-N -1 1 330.347 2.959 20 30 EFEDMM N#Cc1ccc2[nH]c(NC(=O)Cc3ccc([O-])c(Cl)c3)nc2c1 ZINC001631012163 1100362016 /nfs/dbraw/zinc/36/20/16/1100362016.db2.gz JDFGHQPPGDJMJC-UHFFFAOYSA-N -1 1 326.743 2.975 20 30 EFEDMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000785409011 1101278055 /nfs/dbraw/zinc/27/80/55/1101278055.db2.gz SCSWBHPQZVRKQE-UHFFFAOYSA-N -1 1 332.363 2.722 20 30 EFEDMM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1c([O-])cccc1Cl ZINC001271647253 1102205231 /nfs/dbraw/zinc/20/52/31/1102205231.db2.gz IIVYNELBULRLJH-ZIAGYGMSSA-N -1 1 348.830 2.827 20 30 EFEDMM CC(C)[C@@H](C#N)c1ccc(NC(=N)SCCS(=O)(=O)[O-])cc1 ZINC001168093909 1103160321 /nfs/dbraw/zinc/16/03/21/1103160321.db2.gz SKWSSQYWSGUMFB-CYBMUJFWSA-N -1 1 341.458 2.917 20 30 EFEDMM C=CCc1cc(CNCc2ccc(C(=O)[O-])cn2)cc(OC)c1OC ZINC000905724607 1103559292 /nfs/dbraw/zinc/55/92/92/1103559292.db2.gz NLDKKRKQAJDNDH-UHFFFAOYSA-N -1 1 342.395 2.815 20 30 EFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1nc2ccccc2s1 ZINC001662118828 1103592622 /nfs/dbraw/zinc/59/26/22/1103592622.db2.gz HFHVOBZTUZMGSJ-JTQLQIEISA-N -1 1 347.421 2.843 20 30 EFEDMM COc1ccc(NC(=S)NN=Cc2ccc([O-])c(Cl)c2)cn1 ZINC000729639352 1104646657 /nfs/dbraw/zinc/64/66/57/1104646657.db2.gz DGOKFVFUYBZCDG-UHFFFAOYSA-N -1 1 336.804 2.770 20 30 EFEDMM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142520275 1106107120 /nfs/dbraw/zinc/10/71/20/1106107120.db2.gz FEOUSZZZUGDCLK-MRXNPFEDSA-N -1 1 349.381 2.706 20 30 EFEDMM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000387468655 1106667213 /nfs/dbraw/zinc/66/72/13/1106667213.db2.gz SVGWSXQVFDXZIA-UHFFFAOYSA-N -1 1 349.206 2.602 20 30 EFEDMM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC001272261236 1107564459 /nfs/dbraw/zinc/56/44/59/1107564459.db2.gz GYGQOSZKXMBDHZ-AWEZNQCLSA-N -1 1 348.830 2.590 20 30 EFEDMM C=C(C)CN1CCC2(CCN(C(=O)c3ccc(F)c([O-])c3)CC2)C1=O ZINC001272226394 1108321555 /nfs/dbraw/zinc/32/15/55/1108321555.db2.gz DQUGNIFACJHJQD-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000905095536 1108426049 /nfs/dbraw/zinc/42/60/49/1108426049.db2.gz OJPUDBTWPGQAOO-UHFFFAOYSA-N -1 1 344.458 2.560 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)cs2)cc1 ZINC000176461217 1108684271 /nfs/dbraw/zinc/68/42/71/1108684271.db2.gz VCIKFCBXMHAINI-CYBMUJFWSA-N -1 1 325.349 2.590 20 30 EFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)C1CC(F)C1 ZINC001142571129 1108906401 /nfs/dbraw/zinc/90/64/01/1108906401.db2.gz CEIJVZREHCSCPH-QGMBQPNBSA-N -1 1 346.387 2.908 20 30 EFEDMM Cc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(C)n1C1CC1 ZINC000914600021 1111283855 /nfs/dbraw/zinc/28/38/55/1111283855.db2.gz LPHJUKRMTYKRSN-UHFFFAOYSA-N -1 1 342.424 2.512 20 30 EFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C)cc1 ZINC000914599764 1111284040 /nfs/dbraw/zinc/28/40/40/1111284040.db2.gz JMQFEFMZSOWYQS-UHFFFAOYSA-N -1 1 327.409 2.848 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C)c(C)c1 ZINC000914600188 1111284106 /nfs/dbraw/zinc/28/41/06/1111284106.db2.gz QIJZDJQQIFTMFG-UHFFFAOYSA-N -1 1 327.409 2.766 20 30 EFEDMM C=C(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715744 1112120937 /nfs/dbraw/zinc/12/09/37/1112120937.db2.gz IISGQBNILJXLQS-SHTZXODSSA-N -1 1 345.443 2.548 20 30 EFEDMM CC[C@@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000781142573 1117845152 /nfs/dbraw/zinc/84/51/52/1117845152.db2.gz ZMTPALABNFCAOK-HNNXBMFYSA-N -1 1 344.392 2.946 20 30 EFEDMM C#C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000185309264 1119993837 /nfs/dbraw/zinc/99/38/37/1119993837.db2.gz MNMKVUUVUDUSCV-CQSZACIVSA-N -1 1 342.420 2.547 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(OC)c1 ZINC000169176863 529588264 /nfs/dbraw/zinc/58/82/64/529588264.db2.gz GLYPJWUYCAWZRF-SECBINFHSA-N -1 1 333.207 2.502 20 30 EFEDMM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000290960614 534939197 /nfs/dbraw/zinc/93/91/97/534939197.db2.gz OIGCBYLGQIQIRH-GFCCVEGCSA-N -1 1 347.209 2.559 20 30 EFEDMM N#CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000163660313 239109600 /nfs/dbraw/zinc/10/96/00/239109600.db2.gz ACHVXOKCCNOWHG-UHFFFAOYSA-N -1 1 349.799 2.993 20 30 EFEDMM C=CCN(C(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000230906901 240234871 /nfs/dbraw/zinc/23/48/71/240234871.db2.gz UIEIIQYQJPPYJT-UHFFFAOYSA-N -1 1 343.164 2.787 20 30 EFEDMM C=CCCOCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277629267 240787161 /nfs/dbraw/zinc/78/71/61/240787161.db2.gz WZSJNOPIQCRVBL-UHFFFAOYSA-N -1 1 343.221 2.547 20 30 EFEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@]1(C)CCCOC1 ZINC000329174609 241318838 /nfs/dbraw/zinc/31/88/38/241318838.db2.gz LZDZWLPJUNFXSI-GOSISDBHSA-N -1 1 342.399 2.621 20 30 EFEDMM C[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1nc(C(C)(C)C)no1 ZINC000329494959 241380813 /nfs/dbraw/zinc/38/08/13/241380813.db2.gz WWCGHYKYADKBFM-QMMMGPOBSA-N -1 1 335.433 2.886 20 30 EFEDMM Cc1nc(C2(NC(=O)c3csc(=NC4CC4)[n-]3)CCCC2)no1 ZINC000329503029 241383777 /nfs/dbraw/zinc/38/37/77/241383777.db2.gz YXZUHTVFFZZAGA-UHFFFAOYSA-N -1 1 333.417 2.605 20 30 EFEDMM CCCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC000349654400 241872181 /nfs/dbraw/zinc/87/21/81/241872181.db2.gz JCIRATCVGXINHM-ZDUSSCGKSA-N -1 1 344.477 2.500 20 30 EFEDMM CC#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000353943043 241982024 /nfs/dbraw/zinc/98/20/24/241982024.db2.gz KPMIRXZXFFWQFG-UHFFFAOYSA-N -1 1 342.420 2.631 20 30 EFEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355872246 242050164 /nfs/dbraw/zinc/05/01/64/242050164.db2.gz WSQSHVUDBNGMPB-UHFFFAOYSA-N -1 1 326.381 2.738 20 30 EFEDMM C=CCOCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000354625584 242007717 /nfs/dbraw/zinc/00/77/17/242007717.db2.gz DPYMRBJUMIWVAU-UHFFFAOYSA-N -1 1 346.408 2.629 20 30 EFEDMM C=CCOc1ccc(CNC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000359057956 242140829 /nfs/dbraw/zinc/14/08/29/242140829.db2.gz DAQWHIMVEYHIQA-UHFFFAOYSA-N -1 1 329.425 2.634 20 30 EFEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nccn1-c1ccccc1 ZINC000360265714 242193307 /nfs/dbraw/zinc/19/33/07/242193307.db2.gz MWHUOVLPDZRXGA-ZDUSSCGKSA-N -1 1 332.363 2.941 20 30 EFEDMM C=CCOc1ccc(Br)cc1[N-]S(=O)(=O)C1CC1 ZINC000414387297 244125014 /nfs/dbraw/zinc/12/50/14/244125014.db2.gz ITCJBXXNQBAVPC-UHFFFAOYSA-N -1 1 332.219 2.918 20 30 EFEDMM C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000421925780 246169490 /nfs/dbraw/zinc/16/94/90/246169490.db2.gz PJORCMVUTFSACQ-IUODEOHRSA-N -1 1 344.411 2.846 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)[nH]n2)o1 ZINC000427316186 247335867 /nfs/dbraw/zinc/33/58/67/247335867.db2.gz QOWIIYQSJTZZGX-UHFFFAOYSA-N -1 1 346.343 2.790 20 30 EFEDMM C[C@]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)(C1CC1)C(F)(F)F ZINC000427778521 247394693 /nfs/dbraw/zinc/39/46/93/247394693.db2.gz MHMDPSIFOJXTIL-LBPRGKRZSA-N -1 1 336.310 2.707 20 30 EFEDMM CC(=Cc1ccc(C(=O)[O-])cc1Cl)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340083 248227431 /nfs/dbraw/zinc/22/74/31/248227431.db2.gz BUJGCQAZRRTTHB-YVMONPNESA-N -1 1 329.743 2.862 20 30 EFEDMM CCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnc2ccccn21 ZINC000442634935 250092440 /nfs/dbraw/zinc/09/24/40/250092440.db2.gz CZXMHLCGPRMPHU-CQSZACIVSA-N -1 1 335.367 2.578 20 30 EFEDMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442682005 250102431 /nfs/dbraw/zinc/10/24/31/250102431.db2.gz SGBABQBISZIYBT-DIFFPNOSSA-N -1 1 328.343 2.909 20 30 EFEDMM N#Cc1ccc(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)cc1[O-] ZINC000442651614 250095758 /nfs/dbraw/zinc/09/57/58/250095758.db2.gz MSJWFEAOYNDWTA-UHFFFAOYSA-N -1 1 332.363 2.830 20 30 EFEDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(F)(F)F ZINC000443934167 250238400 /nfs/dbraw/zinc/23/84/00/250238400.db2.gz HVBJUMGLBPVNHM-PELKAZGASA-N -1 1 338.326 2.953 20 30 EFEDMM C=CC[C@@H]1N(C(=O)c2c[n-]c3c(cnn3C)c2=O)CCCC1(C)C ZINC000444637444 250321064 /nfs/dbraw/zinc/32/10/64/250321064.db2.gz QSWBJMNUNSCBLP-AWEZNQCLSA-N -1 1 328.416 2.881 20 30 EFEDMM N#Cc1c(F)cccc1N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263469235 141396650 /nfs/dbraw/zinc/39/66/50/141396650.db2.gz KUNCTCNNBHTWQT-UHFFFAOYSA-N -1 1 339.370 2.718 20 30 EFEDMM N#Cc1ccc(CN2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000263492048 141399284 /nfs/dbraw/zinc/39/92/84/141399284.db2.gz RNNUCGCMCXTAMB-UHFFFAOYSA-N -1 1 335.407 2.574 20 30 EFEDMM N#Cc1cnc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(Cl)c1 ZINC000343010857 141922035 /nfs/dbraw/zinc/92/20/35/141922035.db2.gz JLAKYOJBSQKBJE-UHFFFAOYSA-N -1 1 339.742 2.955 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000344562543 142040622 /nfs/dbraw/zinc/04/06/22/142040622.db2.gz PUNCUPVQSUFVHU-GOEBONIOSA-N -1 1 330.409 2.841 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2Cl)o1 ZINC000344597468 142046101 /nfs/dbraw/zinc/04/61/01/142046101.db2.gz ZSCXYXZAOGEPPJ-UHFFFAOYSA-N -1 1 345.207 2.979 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000344810601 142082048 /nfs/dbraw/zinc/08/20/48/142082048.db2.gz ABXZPYJAFYFNIE-GWCFXTLKSA-N -1 1 340.763 2.778 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(F)c(C#N)c2)[n-]c1=O ZINC000347440423 142216857 /nfs/dbraw/zinc/21/68/57/142216857.db2.gz BKVAVLIETOMOLP-POHAHGRESA-N -1 1 327.315 2.930 20 30 EFEDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cccc(C)c1 ZINC000344225232 145396298 /nfs/dbraw/zinc/39/62/98/145396298.db2.gz SMQUFXQCGFQMDI-ZDUSSCGKSA-N -1 1 334.397 2.596 20 30 EFEDMM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000345413049 145534880 /nfs/dbraw/zinc/53/48/80/145534880.db2.gz PTVWBVATROUMJF-CYBMUJFWSA-N -1 1 339.370 2.754 20 30 EFEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000350686775 146080615 /nfs/dbraw/zinc/08/06/15/146080615.db2.gz YMVLHFBKALKGGD-UHFFFAOYSA-N -1 1 338.820 2.934 20 30 EFEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)c1 ZINC000350867412 146097396 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C[C@@H](C#N)CN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000290035758 474534767 /nfs/dbraw/zinc/53/47/67/474534767.db2.gz WDXHVKUITUZRMM-VIFPVBQESA-N -1 1 348.200 2.935 20 30 EFEDMM Cc1ncc(CO)c(/C=N/c2ccc([O-])c(COC(C)C)c2)c1O ZINC000290430302 474571195 /nfs/dbraw/zinc/57/11/95/474571195.db2.gz BREQVHRCUZYNRN-DNTJNYDQSA-N -1 1 330.384 2.969 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N2CCCC(C)(C)[C@@H]2C#N)c(=O)[n-]1 ZINC000278095529 474601630 /nfs/dbraw/zinc/60/16/30/474601630.db2.gz YWEPTGXXFNODDJ-ZDUSSCGKSA-N -1 1 348.472 2.686 20 30 EFEDMM COc1c([O-])c(CN(CCC#N)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000278312322 474606281 /nfs/dbraw/zinc/60/62/81/474606281.db2.gz XATDSAKGKDLMQH-UHFFFAOYSA-N -1 1 342.355 2.620 20 30 EFEDMM O=C1c2ccccc2C(=O)N1N=Cc1ccc([O-])c(Br)c1 ZINC000252616103 474700509 /nfs/dbraw/zinc/70/05/09/474700509.db2.gz JXADMLCEJTXWTH-UHFFFAOYSA-N -1 1 345.152 2.785 20 30 EFEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cocn3)s2)cc1 ZINC000609166367 480121885 /nfs/dbraw/zinc/12/18/85/480121885.db2.gz XHTNMXKSHZSGGR-UHFFFAOYSA-N -1 1 343.393 2.942 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000307942235 474814358 /nfs/dbraw/zinc/81/43/58/474814358.db2.gz CZGLOBMCAQLDJJ-UHFFFAOYSA-N -1 1 335.316 2.547 20 30 EFEDMM CC(C)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)cc(C#N)c1 ZINC000285060276 474879118 /nfs/dbraw/zinc/87/91/18/474879118.db2.gz ILDVJKUNMZDIKU-UHFFFAOYSA-N -1 1 341.268 2.751 20 30 EFEDMM CC#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000341034810 474901168 /nfs/dbraw/zinc/90/11/68/474901168.db2.gz AUXVRCSMESVIFH-UHFFFAOYSA-N -1 1 342.420 2.583 20 30 EFEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000285166837 474914066 /nfs/dbraw/zinc/91/40/66/474914066.db2.gz SVOCEOJIHPTXJZ-VIFPVBQESA-N -1 1 345.298 2.978 20 30 EFEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000285166832 474915599 /nfs/dbraw/zinc/91/55/99/474915599.db2.gz SVOCEOJIHPTXJZ-SECBINFHSA-N -1 1 345.298 2.978 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(OC)c1 ZINC000324118777 474960639 /nfs/dbraw/zinc/96/06/39/474960639.db2.gz SDTSNEUCNGHNSQ-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1csc(=NC2CC2)[n-]1 ZINC000330244404 475217338 /nfs/dbraw/zinc/21/73/38/475217338.db2.gz XFEAYJPENIKKMK-TZMCWYRMSA-N -1 1 331.445 2.824 20 30 EFEDMM COc1ccc(NC(=O)N[C@H]2C=CCCC2)cc1[N-]S(C)(=O)=O ZINC000330991738 475299920 /nfs/dbraw/zinc/29/99/20/475299920.db2.gz TZCPTDFCXIXJJM-NSHDSACASA-N -1 1 339.417 2.501 20 30 EFEDMM COc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000331280348 475333715 /nfs/dbraw/zinc/33/37/15/475333715.db2.gz KLEAJZFNMPEXRD-GHMZBOCLSA-N -1 1 341.433 2.581 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2ccc(OC(F)F)c(F)c2)cc1[O-] ZINC000358069704 475375149 /nfs/dbraw/zinc/37/51/49/475375149.db2.gz ZAQYUWQARKDUEF-UHFFFAOYSA-N -1 1 336.269 2.934 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)cc1OC ZINC000337852788 475378204 /nfs/dbraw/zinc/37/82/04/475378204.db2.gz JXKPMGLRVGZJOZ-UHFFFAOYSA-N -1 1 346.408 2.879 20 30 EFEDMM C=CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000352545147 475399187 /nfs/dbraw/zinc/39/91/87/475399187.db2.gz GNWZTUXJIRZOLE-UHFFFAOYSA-N -1 1 342.461 2.689 20 30 EFEDMM Cc1ccc(-c2cc(=NC(=O)COc3ccc(C#N)cc3)[nH][n-]2)s1 ZINC000354796016 475417561 /nfs/dbraw/zinc/41/75/61/475417561.db2.gz LVVHBGGPRWIRJH-UHFFFAOYSA-N -1 1 338.392 2.758 20 30 EFEDMM CSc1nc(C)c(CCC(=O)NCC(C)(C)CCC#N)c(=O)[n-]1 ZINC000346009203 475551767 /nfs/dbraw/zinc/55/17/67/475551767.db2.gz PYMAMMQELMAJFJ-UHFFFAOYSA-N -1 1 336.461 2.591 20 30 EFEDMM C=C(C)C[C@H](C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000342172271 475569687 /nfs/dbraw/zinc/56/96/87/475569687.db2.gz VASPRPYPNFUBGF-NSHDSACASA-N -1 1 326.418 2.608 20 30 EFEDMM Cc1cc2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c(C)n2n1 ZINC000338192479 475664890 /nfs/dbraw/zinc/66/48/90/475664890.db2.gz YSWVKTIRVMLRJA-LBPRGKRZSA-N -1 1 330.351 2.713 20 30 EFEDMM Cc1cc2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c(C)n2n1 ZINC000338192475 475664973 /nfs/dbraw/zinc/66/49/73/475664973.db2.gz YSWVKTIRVMLRJA-GFCCVEGCSA-N -1 1 330.351 2.713 20 30 EFEDMM N#Cc1ccc(C2=CC[N@H+](CCC[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000361695583 475671911 /nfs/dbraw/zinc/67/19/11/475671911.db2.gz GQBDZTNKJXBFEH-UHFFFAOYSA-N -1 1 337.345 2.716 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2C)n1 ZINC000353084446 475688133 /nfs/dbraw/zinc/68/81/33/475688133.db2.gz IYMWUSLOWVUKPR-SNVBAGLBSA-N -1 1 346.412 2.667 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1Cl ZINC000358487732 475717868 /nfs/dbraw/zinc/71/78/68/475717868.db2.gz AHBUGGLFAMUMKI-UHFFFAOYSA-N -1 1 334.784 2.947 20 30 EFEDMM Cc1cccc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c1C#N ZINC000361982861 475914612 /nfs/dbraw/zinc/91/46/12/475914612.db2.gz LQDCYPFCEUDIJX-UHFFFAOYSA-N -1 1 330.365 2.674 20 30 EFEDMM Cc1ccnc2nc(C(=O)[N-]c3sc(C(C)(C)C)cc3C#N)nn21 ZINC000297920427 475924999 /nfs/dbraw/zinc/92/49/99/475924999.db2.gz YEQNPMDWHLXRPA-UHFFFAOYSA-N -1 1 340.412 2.916 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1[O-] ZINC000333412852 475930353 /nfs/dbraw/zinc/93/03/53/475930353.db2.gz DJEWUKIOLFOGBA-HXUWFJFHSA-N -1 1 334.375 2.926 20 30 EFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000358880499 476008496 /nfs/dbraw/zinc/00/84/96/476008496.db2.gz QSFZMBIATHCYTD-UHFFFAOYSA-N -1 1 330.365 2.705 20 30 EFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1OC ZINC000355841693 476065097 /nfs/dbraw/zinc/06/50/97/476065097.db2.gz JGFKVSBIWCFXTD-UHFFFAOYSA-N -1 1 346.408 2.961 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000343478168 476075770 /nfs/dbraw/zinc/07/57/70/476075770.db2.gz IRSLBCJRWZOSOC-GFCCVEGCSA-N -1 1 342.461 2.831 20 30 EFEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000336872626 476155432 /nfs/dbraw/zinc/15/54/32/476155432.db2.gz OZYMHRKUZQRBGV-UHFFFAOYSA-N -1 1 330.409 2.856 20 30 EFEDMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357019225 476161653 /nfs/dbraw/zinc/16/16/53/476161653.db2.gz 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CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1C ZINC000416936699 477377456 /nfs/dbraw/zinc/37/74/56/477377456.db2.gz IGHZDTXDVKIJCR-HNNXBMFYSA-N -1 1 349.456 2.711 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1C ZINC000416936700 477377548 /nfs/dbraw/zinc/37/75/48/477377548.db2.gz IGHZDTXDVKIJCR-OAHLLOKOSA-N -1 1 349.456 2.711 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(C(=O)N(C)C(C)C)c1 ZINC000416949632 477383027 /nfs/dbraw/zinc/38/30/27/477383027.db2.gz DGZFZFZYCHGSQX-CQSZACIVSA-N -1 1 337.445 2.519 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1 ZINC000416951100 477384455 /nfs/dbraw/zinc/38/44/55/477384455.db2.gz RPUQJNCKCAPCPV-ZDUSSCGKSA-N -1 1 336.442 2.615 20 30 EFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000412704239 477453123 /nfs/dbraw/zinc/45/31/23/477453123.db2.gz ZHVHGGNCUJLVAO-HNNXBMFYSA-N -1 1 335.407 2.610 20 30 EFEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436642435 477542839 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/nfs/dbraw/zinc/92/79/95/477927995.db2.gz OIUKSPPAWLUOEA-UHFFFAOYSA-N -1 1 325.372 2.502 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000439251373 477950663 /nfs/dbraw/zinc/95/06/63/477950663.db2.gz WXIKKCAQBUAGKD-UHFFFAOYSA-N -1 1 327.409 2.889 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c(F)c1 ZINC000559363112 477978787 /nfs/dbraw/zinc/97/87/87/477978787.db2.gz PPGVNBPIHJVEEF-AWEZNQCLSA-N -1 1 340.326 2.982 20 30 EFEDMM CC[C@H](CS(=O)(=O)[N-]c1ccccc1SCCC#N)OC ZINC000421150889 477983233 /nfs/dbraw/zinc/98/32/33/477983233.db2.gz IYFHPGGVFYFJBA-GFCCVEGCSA-N -1 1 328.459 2.859 20 30 EFEDMM C=C(C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000451806211 478210314 /nfs/dbraw/zinc/21/03/14/478210314.db2.gz ZROIIUANXMCRAZ-UHFFFAOYSA-N -1 1 349.206 2.602 20 30 EFEDMM CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000600209038 478284829 /nfs/dbraw/zinc/28/48/29/478284829.db2.gz RTQVDPZQGVAGFS-UHFFFAOYSA-N -1 1 336.395 2.550 20 30 EFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)OCC ZINC000562730541 478333291 /nfs/dbraw/zinc/33/32/91/478333291.db2.gz NREPPLFTSHIQLD-CYBMUJFWSA-N -1 1 337.397 2.609 20 30 EFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000600352981 478347483 /nfs/dbraw/zinc/34/74/83/478347483.db2.gz DTAOUCRIWPAXSF-BLLLJJGKSA-N -1 1 344.411 2.704 20 30 EFEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600360647 478352179 /nfs/dbraw/zinc/35/21/79/478352179.db2.gz MWNCCFLORMHNFJ-WFASDCNBSA-N -1 1 344.411 2.704 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000597604095 478428763 /nfs/dbraw/zinc/42/87/63/478428763.db2.gz JZVCEFINMVCUHX-KURKYZTESA-N -1 1 328.412 2.810 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H](c2cccs2)C2(CO)CCC2)cc1[O-] ZINC000597854563 478542442 /nfs/dbraw/zinc/54/24/42/478542442.db2.gz ZVGFTWTZJSZYJH-MRXNPFEDSA-N -1 1 342.420 2.959 20 30 EFEDMM C=CCCSCC[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000594817070 478551173 /nfs/dbraw/zinc/55/11/73/478551173.db2.gz MRNNFBPQMMVQCU-UHFFFAOYSA-N -1 1 340.392 2.688 20 30 EFEDMM C#C[C@H](CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000491660014 478620747 /nfs/dbraw/zinc/62/07/47/478620747.db2.gz MCGZMWHGSCIJRJ-OAHLLOKOSA-N -1 1 342.420 2.629 20 30 EFEDMM C#C[C@@H](CC)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000491751098 478662174 /nfs/dbraw/zinc/66/21/74/478662174.db2.gz WFUVWYNAPLHDMV-VIFPVBQESA-N -1 1 344.289 2.645 20 30 EFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2(C#N)CC2)c([O-])c1 ZINC000496848192 478701450 /nfs/dbraw/zinc/70/14/50/478701450.db2.gz RJIWSSFNQAIUCT-UHFFFAOYSA-N -1 1 331.372 2.773 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CCCC1 ZINC000595334230 478734277 /nfs/dbraw/zinc/73/42/77/478734277.db2.gz KGGGATXMVRVDKK-UHFFFAOYSA-N -1 1 327.402 2.542 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)sn1 ZINC000601444164 478836104 /nfs/dbraw/zinc/83/61/04/478836104.db2.gz PERQDTCKFKKPLW-CQSZACIVSA-N -1 1 333.438 2.679 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)nn2C2CCOCC2)n1 ZINC000528907438 478982240 /nfs/dbraw/zinc/98/22/40/478982240.db2.gz HXAGZGUGBLMXBV-CYBMUJFWSA-N -1 1 330.413 2.798 20 30 EFEDMM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000565705007 479066527 /nfs/dbraw/zinc/06/65/27/479066527.db2.gz IKENHULAXIBUOI-HNNXBMFYSA-N -1 1 338.436 2.818 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000569316637 479139485 /nfs/dbraw/zinc/13/94/85/479139485.db2.gz FNVWIABNBOSYNC-MNOVXSKESA-N -1 1 340.203 2.754 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000574270505 479253330 /nfs/dbraw/zinc/25/33/30/479253330.db2.gz VWYNBJKMHSQZJM-BDAKNGLRSA-N -1 1 340.203 2.754 20 30 EFEDMM N#Cc1cccc(CN2CCC(Nc3ncccc3C(=O)[O-])CC2)c1 ZINC000593326111 479296237 /nfs/dbraw/zinc/29/62/37/479296237.db2.gz CSJMZQPUUPSUHB-UHFFFAOYSA-N -1 1 336.395 2.728 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)o1 ZINC000588112639 479396176 /nfs/dbraw/zinc/39/61/76/479396176.db2.gz YTJUVDRJNOGQLZ-UHFFFAOYSA-N -1 1 331.180 2.937 20 30 EFEDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C12CCCCC2 ZINC000588117700 479396841 /nfs/dbraw/zinc/39/68/41/479396841.db2.gz OYXNZJNRIHPKTO-ZIAGYGMSSA-N -1 1 338.429 2.557 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1[O-] ZINC000575225020 479422512 /nfs/dbraw/zinc/42/25/12/479422512.db2.gz FMQAVYINWKTRJU-UKRRQHHQSA-N -1 1 328.393 2.975 20 30 EFEDMM N#C[C@H](NC(=O)c1ncccc1[O-])c1ccccc1Br ZINC000614621870 479461184 /nfs/dbraw/zinc/46/11/84/479461184.db2.gz QJGQALRJRCZJBG-NSHDSACASA-N -1 1 332.157 2.544 20 30 EFEDMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589158338 479487329 /nfs/dbraw/zinc/48/73/29/479487329.db2.gz HIIISNWWIDNLMB-UHFFFAOYSA-N -1 1 348.362 2.575 20 30 EFEDMM COCCCOc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170358 479490228 /nfs/dbraw/zinc/49/02/28/479490228.db2.gz UUQUCNGPYMDDPG-UHFFFAOYSA-N -1 1 326.352 2.931 20 30 EFEDMM COc1ccc(COCCCNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589176578 479492574 /nfs/dbraw/zinc/49/25/74/479492574.db2.gz NOEDYEADUZVANF-UHFFFAOYSA-N -1 1 340.379 2.609 20 30 EFEDMM CCOc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1OC ZINC000589181479 479493238 /nfs/dbraw/zinc/49/32/38/479493238.db2.gz VYUBAHDHCVHMEW-UHFFFAOYSA-N -1 1 326.352 2.601 20 30 EFEDMM Cn1ccnc1C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589187800 479494896 /nfs/dbraw/zinc/49/48/96/479494896.db2.gz VEBZORQZGPLSTC-SFHVURJKSA-N -1 1 346.390 2.711 20 30 EFEDMM C[C@@H](c1ccccc1)n1ccc(=NC(=O)c2cc([O-])cc(C#N)c2)[nH]1 ZINC000589190734 479494952 /nfs/dbraw/zinc/49/49/52/479494952.db2.gz OFCSEZYASXTGJW-ZDUSSCGKSA-N -1 1 332.363 2.744 20 30 EFEDMM COCCc1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2o1 ZINC000589189036 479495017 /nfs/dbraw/zinc/49/50/17/479495017.db2.gz ZXRLUUILYWRSCY-UHFFFAOYSA-N -1 1 337.335 2.846 20 30 EFEDMM Cn1cc(-c2ccccc2CNC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589196624 479495453 /nfs/dbraw/zinc/49/54/53/479495453.db2.gz OXLFXYNPMSRQIL-UHFFFAOYSA-N -1 1 332.363 2.594 20 30 EFEDMM COC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)c(F)c1 ZINC000589197464 479495535 /nfs/dbraw/zinc/49/55/35/479495535.db2.gz WBZRIVBWICHBHI-INIZCTEOSA-N -1 1 332.306 2.660 20 30 EFEDMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197205 479496268 /nfs/dbraw/zinc/49/62/68/479496268.db2.gz GUHNFTPQIOUJLJ-DIFFPNOSSA-N -1 1 328.343 2.909 20 30 EFEDMM CC[C@H](C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000593894157 479500236 /nfs/dbraw/zinc/50/02/36/479500236.db2.gz VWDOZGQDPVOXDJ-SSDOTTSWSA-N -1 1 339.218 2.811 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000589522308 479537567 /nfs/dbraw/zinc/53/75/67/479537567.db2.gz IUEFSQRLUDVIPN-MRXNPFEDSA-N -1 1 330.771 2.771 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000589541726 479538769 /nfs/dbraw/zinc/53/87/69/479538769.db2.gz KMZKCRVSMMWAHA-KRWDZBQOSA-N -1 1 333.391 2.541 20 30 EFEDMM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)[nH]n1 ZINC000589590947 479542336 /nfs/dbraw/zinc/54/23/36/479542336.db2.gz GYICSCWARUVZCR-UHFFFAOYSA-N -1 1 332.429 2.865 20 30 EFEDMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2n1C ZINC000589585683 479543139 /nfs/dbraw/zinc/54/31/39/479543139.db2.gz MUNPXMGTTGWLDQ-UHFFFAOYSA-N -1 1 340.408 2.749 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1c(F)cccc1F ZINC000618716930 479563251 /nfs/dbraw/zinc/56/32/51/479563251.db2.gz TZBZVEIZTSETBI-HNNXBMFYSA-N -1 1 334.347 2.802 20 30 EFEDMM C=C[C@@](C)(CCOC)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000577853242 479598198 /nfs/dbraw/zinc/59/81/98/479598198.db2.gz ZWGZFYMCTQANIO-KRWDZBQOSA-N -1 1 335.354 2.944 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000618939953 479647715 /nfs/dbraw/zinc/64/77/15/479647715.db2.gz ZJWQAMCQQNSIJO-LJQANCHMSA-N -1 1 336.391 2.738 20 30 EFEDMM Cc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)s2)c1C(=O)[O-] ZINC000579097549 479660061 /nfs/dbraw/zinc/66/00/61/479660061.db2.gz LMNQMCPUXILSSU-UHFFFAOYSA-N -1 1 340.357 2.566 20 30 EFEDMM CCOC(=O)c1sc([N-]C(=O)c2coc(CC)n2)c(C#N)c1C ZINC000612406305 479666147 /nfs/dbraw/zinc/66/61/47/479666147.db2.gz DLAWAEXMCWTUPK-UHFFFAOYSA-N -1 1 333.369 2.908 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1[O-] ZINC000615428362 479672996 /nfs/dbraw/zinc/67/29/96/479672996.db2.gz PWLMYAANOPHZPL-CQSZACIVSA-N -1 1 343.333 2.551 20 30 EFEDMM C=CCC1(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCCC1 ZINC000619104066 479688343 /nfs/dbraw/zinc/68/83/43/479688343.db2.gz JDONSIBIWNZNDQ-UHFFFAOYSA-N -1 1 328.416 2.599 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461170 479800145 /nfs/dbraw/zinc/80/01/45/479800145.db2.gz LOQLPKITYWKUHW-UHFFFAOYSA-N -1 1 331.353 2.770 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1 ZINC000619462668 479800172 /nfs/dbraw/zinc/80/01/72/479800172.db2.gz ZBQJCXPOCHYFRK-UHFFFAOYSA-N -1 1 340.364 2.603 20 30 EFEDMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000619618557 479842838 /nfs/dbraw/zinc/84/28/38/479842838.db2.gz CLTSAICBOLCOAU-BTPDRXCOSA-N -1 1 328.412 2.666 20 30 EFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c(F)c1 ZINC000614080254 480181013 /nfs/dbraw/zinc/18/10/13/480181013.db2.gz XDOHESNOPYZFSN-BMIGLBTASA-N -1 1 344.383 2.724 20 30 EFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000614080255 480181510 /nfs/dbraw/zinc/18/15/10/480181510.db2.gz XDOHESNOPYZFSN-BONVTDFDSA-N -1 1 344.383 2.724 20 30 EFEDMM C=CCCC(C)(C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000620861684 480255215 /nfs/dbraw/zinc/25/52/15/480255215.db2.gz WFKQVXWOSGEADP-UHFFFAOYSA-N -1 1 340.427 2.956 20 30 EFEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(OC)c1OC ZINC000614293472 480256715 /nfs/dbraw/zinc/25/67/15/480256715.db2.gz UIOUZIFSUZVTFO-UHFFFAOYSA-N -1 1 328.324 2.542 20 30 EFEDMM CN(C)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1F ZINC000614297923 480257812 /nfs/dbraw/zinc/25/78/12/480257812.db2.gz QPXWKQFWWBZBRY-MRXNPFEDSA-N -1 1 345.349 2.575 20 30 EFEDMM Cc1cccc(NC(=O)CN(C)C(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000614295472 480257849 /nfs/dbraw/zinc/25/78/49/480257849.db2.gz NBUWNGODSZBHQA-UHFFFAOYSA-N -1 1 337.379 2.591 20 30 EFEDMM Cc1cc(C)n(-c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cn2)n1 ZINC000614295028 480258406 /nfs/dbraw/zinc/25/84/06/480258406.db2.gz CTLGYZIHTZLPTC-UHFFFAOYSA-N -1 1 333.351 2.714 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000614300935 480259669 /nfs/dbraw/zinc/25/96/69/480259669.db2.gz ZMTATKVKXDKPJC-OAHLLOKOSA-N -1 1 341.798 2.926 20 30 EFEDMM CCn1c(CCNC(=O)c2cc([O-])cc(C#N)c2)nc2ccccc21 ZINC000614366807 480283992 /nfs/dbraw/zinc/28/39/92/480283992.db2.gz FBEOGQDPADOBRS-UHFFFAOYSA-N -1 1 334.379 2.606 20 30 EFEDMM CCCCNC(=O)C1(NC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000614368495 480284775 /nfs/dbraw/zinc/28/47/75/480284775.db2.gz VQXYBLHXZJDMHS-UHFFFAOYSA-N -1 1 343.427 2.613 20 30 EFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000614369994 480285855 /nfs/dbraw/zinc/28/58/55/480285855.db2.gz MPQAVDJKTRNLCT-SFHVURJKSA-N -1 1 349.390 2.531 20 30 EFEDMM COc1cc2c(cc1CNC(=O)c1cc([O-])cc(C#N)c1)O[C@@H](C)C2 ZINC000614374530 480287260 /nfs/dbraw/zinc/28/72/60/480287260.db2.gz PHDYXVUEABTRCR-NSHDSACASA-N -1 1 338.363 2.526 20 30 EFEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610473973 480314058 /nfs/dbraw/zinc/31/40/58/480314058.db2.gz MSWXSQVDTLYEPJ-SECBINFHSA-N -1 1 328.397 2.575 20 30 EFEDMM N#Cc1cnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(F)c1 ZINC000665708303 482008971 /nfs/dbraw/zinc/00/89/71/482008971.db2.gz JABGRKSGXDMHRV-UHFFFAOYSA-N -1 1 325.343 2.897 20 30 EFEDMM CC(C)(C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C1CC1 ZINC000329577399 534398212 /nfs/dbraw/zinc/39/82/12/534398212.db2.gz VZWIGAJSZSLMRP-UHFFFAOYSA-N -1 1 338.429 2.857 20 30 EFEDMM CN(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2o1 ZINC000150961609 522337318 /nfs/dbraw/zinc/33/73/18/522337318.db2.gz WXTIPUBVUUQAAW-UHFFFAOYSA-N -1 1 342.380 2.566 20 30 EFEDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000116712104 525739161 /nfs/dbraw/zinc/73/91/61/525739161.db2.gz NMSLHIYLNYLXFL-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063878746 526007875 /nfs/dbraw/zinc/00/78/75/526007875.db2.gz HAUHFJFHHVNSGI-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000063878705 526008795 /nfs/dbraw/zinc/00/87/95/526008795.db2.gz RXLPIBHDYNAHLM-UHFFFAOYSA-N -1 1 344.392 2.829 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000177990434 526633457 /nfs/dbraw/zinc/63/34/57/526633457.db2.gz YBLIYPLDAQLQQL-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000055664087 526656132 /nfs/dbraw/zinc/65/61/32/526656132.db2.gz WXJNLKBAKMDZEO-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1Cl ZINC000071081835 526684312 /nfs/dbraw/zinc/68/43/12/526684312.db2.gz CISLEYWXVQOVPR-UHFFFAOYSA-N -1 1 347.783 2.507 20 30 EFEDMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000176469105 527995166 /nfs/dbraw/zinc/99/51/66/527995166.db2.gz IJRIWQZRPITFLS-UHFFFAOYSA-N -1 1 328.459 2.859 20 30 EFEDMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)[nH]n1 ZINC000427750020 534966009 /nfs/dbraw/zinc/96/60/09/534966009.db2.gz SHOBAIJCDXMAAW-UHFFFAOYSA-N -1 1 336.392 2.810 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1C ZINC000356485320 536567191 /nfs/dbraw/zinc/56/71/91/536567191.db2.gz JFMHLNXPMSXJST-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCC1 ZINC000344699408 537012885 /nfs/dbraw/zinc/01/28/85/537012885.db2.gz NPUKSCPZDSDGAM-UHFFFAOYSA-N -1 1 346.408 2.560 20 30 EFEDMM O=C(NO)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000671996588 547691786 /nfs/dbraw/zinc/69/17/86/547691786.db2.gz UXIGQCOEJOCHCA-UHFFFAOYSA-N -1 1 342.376 2.760 20 30 EFEDMM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nncs1 ZINC000673737565 547946462 /nfs/dbraw/zinc/94/64/62/547946462.db2.gz YCLDFLGCMYRWDJ-UHFFFAOYSA-N -1 1 327.369 2.541 20 30 EFEDMM CC(C)(C#N)CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000679792834 549198193 /nfs/dbraw/zinc/19/81/93/549198193.db2.gz APZHCCRAPYXNHZ-UHFFFAOYSA-N -1 1 329.400 2.546 20 30 EFEDMM O=C1Nc2cccc(Cl)c2C1=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754708990 575475315 /nfs/dbraw/zinc/47/53/15/575475315.db2.gz KLTXLROGGCMWCJ-UHFFFAOYSA-N -1 1 341.680 2.917 20 30 EFEDMM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754709011 575475394 /nfs/dbraw/zinc/47/53/94/575475394.db2.gz HQPOHASLSBLWGV-UHFFFAOYSA-N -1 1 339.252 2.711 20 30 EFEDMM O=C1C(=N[N-]c2ccc(C(F)(F)F)nn2)CCN1Cc1ccccc1 ZINC000754711693 575475773 /nfs/dbraw/zinc/47/57/73/575475773.db2.gz UVVLTTRUUPQIFB-UHFFFAOYSA-N -1 1 349.316 2.696 20 30 EFEDMM N#Cc1ccc(CNN=Cc2cc(O)cc(Br)c2[O-])cc1 ZINC000755803559 575638446 /nfs/dbraw/zinc/63/84/46/575638446.db2.gz SGYAVXVIPDIKCE-UHFFFAOYSA-N -1 1 346.184 2.856 20 30 EFEDMM COc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)c(O)c1 ZINC000756906279 575799685 /nfs/dbraw/zinc/79/96/85/575799685.db2.gz XXTDIDNXYWARRF-UHFFFAOYSA-N -1 1 330.340 2.944 20 30 EFEDMM CCOc1cc(CN=Nc2ccc(C(=O)[O-])cc2OC)ccc1O ZINC000756905886 575799701 /nfs/dbraw/zinc/79/97/01/575799701.db2.gz OQKWSQHDMYPUBJ-UHFFFAOYSA-N -1 1 330.340 2.944 20 30 EFEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnc(N3CCCC3)nc2)c1 ZINC000757468168 575839909 /nfs/dbraw/zinc/83/99/09/575839909.db2.gz OSBYIBONNMSDAR-XQRVVYSFSA-N -1 1 325.368 2.687 20 30 EFEDMM O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cc(O)ccc1[O-] ZINC000757467187 575839913 /nfs/dbraw/zinc/83/99/13/575839913.db2.gz BRUUVNFYMSTCMR-IWQZZHSRSA-N -1 1 343.291 2.673 20 30 EFEDMM CCOC(=O)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)o1 ZINC000757472483 575840011 /nfs/dbraw/zinc/84/00/11/575840011.db2.gz IVWHEJAXNXOINU-QPJJXVBHSA-N -1 1 330.292 2.756 20 30 EFEDMM COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c([O-])c1 ZINC000757471358 575840040 /nfs/dbraw/zinc/84/00/40/575840040.db2.gz BTPPOJVHRKMXNC-ZZXKWVIFSA-N -1 1 345.307 2.919 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc3c(c2)OCCO3)c1 ZINC000757472546 575840144 /nfs/dbraw/zinc/84/01/44/575840144.db2.gz KDACJFCBXNGRED-RJRFIUFISA-N -1 1 326.304 2.758 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2nccn2CC(F)(F)F)c1 ZINC000757473885 575840307 /nfs/dbraw/zinc/84/03/07/575840307.db2.gz RAWXAFMVNOJDIK-ARJAWSKDSA-N -1 1 340.257 2.745 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc(OC)c1O ZINC000757474478 575840406 /nfs/dbraw/zinc/84/04/06/575840406.db2.gz UBXYVUJRYJCMCR-HWKANZROSA-N -1 1 344.319 2.709 20 30 EFEDMM O=c1nc(N=NC2CCC[C@@H]2c2ccccc2Cl)nc2[nH][n-]cc1-2 ZINC000758110108 575860014 /nfs/dbraw/zinc/86/00/14/575860014.db2.gz JFYFCUGYQZDXSP-SNVBAGLBSA-N -1 1 342.790 2.821 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1nc2ccc(Cl)cc2n1C ZINC000760219896 575992009 /nfs/dbraw/zinc/99/20/09/575992009.db2.gz YGNLANBWZULWRB-UHFFFAOYSA-N -1 1 330.779 2.867 20 30 EFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(-c2cccnc2)s1 ZINC000762036203 576247495 /nfs/dbraw/zinc/24/74/95/576247495.db2.gz DDWSOHGRVDLNCG-GFCCVEGCSA-N -1 1 349.375 2.561 20 30 EFEDMM COc1cc(C(C)=NNc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1O ZINC000764665855 576487118 /nfs/dbraw/zinc/48/71/18/576487118.db2.gz IZDBLCFJHIPEIX-UHFFFAOYSA-N -1 1 345.311 2.843 20 30 EFEDMM CC(CCc1ccsc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000764905093 576520691 /nfs/dbraw/zinc/52/06/91/576520691.db2.gz GMUZVBCUFHDBKS-UHFFFAOYSA-N -1 1 333.438 2.795 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNCc3ccc(F)cc3F)n[nH]c2c1 ZINC000765571419 577055382 /nfs/dbraw/zinc/05/53/82/577055382.db2.gz HEOKININPOAXDT-UHFFFAOYSA-N -1 1 330.294 2.663 20 30 EFEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H](C)CCC#N ZINC000766001650 577097246 /nfs/dbraw/zinc/09/72/46/577097246.db2.gz GIIPIEZIMNSTDO-JTQLQIEISA-N -1 1 347.400 2.797 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CCC(C(F)(F)F)CC2)c2ccccc21 ZINC000766018543 577098858 /nfs/dbraw/zinc/09/88/58/577098858.db2.gz NABZWYRMIBTRPE-UHFFFAOYSA-N -1 1 345.346 2.834 20 30 EFEDMM CC(N=Nc1nccn(C)c1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000766024983 577099049 /nfs/dbraw/zinc/09/90/49/577099049.db2.gz GESVBHJFIVYGOO-UHFFFAOYSA-N -1 1 327.171 2.629 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2cccc(F)c2)s1 ZINC000766474018 577155405 /nfs/dbraw/zinc/15/54/05/577155405.db2.gz IXSAWBYAAJPNOB-UHFFFAOYSA-N -1 1 332.385 2.677 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1c(OC(F)F)ccc2ccccc21 ZINC000766478681 577156474 /nfs/dbraw/zinc/15/64/74/577156474.db2.gz SKGQETFBFHMAOG-UHFFFAOYSA-N -1 1 348.334 2.564 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000766483574 577157062 /nfs/dbraw/zinc/15/70/62/577157062.db2.gz YXMVPLBEBUEYEJ-UHFFFAOYSA-N -1 1 332.772 2.723 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(F)cc2Br)n1 ZINC000767742981 577231184 /nfs/dbraw/zinc/23/11/84/577231184.db2.gz FVJYBDYYPGNMNU-UHFFFAOYSA-N -1 1 325.141 2.838 20 30 EFEDMM COc1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2O)c([N+](=O)[O-])c1 ZINC000767796401 577234574 /nfs/dbraw/zinc/23/45/74/577234574.db2.gz KZWUQDKFVINOLW-UHFFFAOYSA-N -1 1 345.311 2.843 20 30 EFEDMM COc1ccc(NN=Cc2cccc(OCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000767800321 577234616 /nfs/dbraw/zinc/23/46/16/577234616.db2.gz AJYDAPOQCFQGKG-UHFFFAOYSA-N -1 1 345.311 2.513 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)N[C@H]2CCCC[C@H]2C)c1 ZINC000726736093 577381832 /nfs/dbraw/zinc/38/18/32/577381832.db2.gz BSXAIBWSMCDUPC-RISCZKNCSA-N -1 1 349.456 2.556 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)c1 ZINC000726732231 577382297 /nfs/dbraw/zinc/38/22/97/577382297.db2.gz CJQTVFINKFSGCS-MRXNPFEDSA-N -1 1 348.362 2.841 20 30 EFEDMM COc1cccc([C@@H](C#N)NC(=O)c2cc(F)ccc2[O-])c1OC ZINC000769768183 577384049 /nfs/dbraw/zinc/38/40/49/577384049.db2.gz GJWMTDOFHYQOEA-CYBMUJFWSA-N -1 1 330.315 2.543 20 30 EFEDMM CO[C@H]1CCCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769807744 577386958 /nfs/dbraw/zinc/38/69/58/577386958.db2.gz SJMAGAGQUWARJM-LBPRGKRZSA-N -1 1 332.408 2.644 20 30 EFEDMM Cc1cc(C)c(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)[nH]1 ZINC000769810555 577387016 /nfs/dbraw/zinc/38/70/16/577387016.db2.gz QPPFIXNJFLBKAS-UHFFFAOYSA-N -1 1 327.392 2.678 20 30 EFEDMM COc1ccc([C@H](C)C(C)=NNc2nc(=O)c3cnn(C)c3[n-]2)cc1 ZINC000769818277 577387676 /nfs/dbraw/zinc/38/76/76/577387676.db2.gz SKJYNVWWWIRGKO-SNVBAGLBSA-N -1 1 340.387 2.669 20 30 EFEDMM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1F ZINC000769889327 577391761 /nfs/dbraw/zinc/39/17/61/577391761.db2.gz IKSZOHGVGALXIP-UHFFFAOYSA-N -1 1 336.344 2.515 20 30 EFEDMM CN1CCN(c2ccc(C=[NH+][N-]c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000771552700 581222284 /nfs/dbraw/zinc/22/22/84/581222284.db2.gz IKXPUZUHHCVTOE-UHFFFAOYSA-N -1 1 338.411 2.583 20 30 EFEDMM O=C1CN(N=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[N-]1 ZINC000771885211 581254669 /nfs/dbraw/zinc/25/46/69/581254669.db2.gz PNQHBJUHBUHHBD-UHFFFAOYSA-N -1 1 339.195 2.610 20 30 EFEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000771951909 581263939 /nfs/dbraw/zinc/26/39/39/581263939.db2.gz OGBBXKYQERZJMM-UHFFFAOYSA-N -1 1 328.590 2.619 20 30 EFEDMM COC(=O)c1ccccc1NN=Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000773079559 581394574 /nfs/dbraw/zinc/39/45/74/581394574.db2.gz MSAFPNVGVDBGLB-UHFFFAOYSA-N -1 1 345.311 2.542 20 30 EFEDMM COc1c([O-])c(C=NNc2ccc3n[nH]cc3c2)ccc1[N+](=O)[O-] ZINC000773080281 581394734 /nfs/dbraw/zinc/39/47/34/581394734.db2.gz ULLVNUJPMDMPRX-UHFFFAOYSA-N -1 1 327.300 2.631 20 30 EFEDMM CCCc1cccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000774362388 581490235 /nfs/dbraw/zinc/49/02/35/581490235.db2.gz INBYWPICRCCQPN-UHFFFAOYSA-N -1 1 327.409 2.712 20 30 EFEDMM C#CCOc1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000735388225 598966600 /nfs/dbraw/zinc/96/66/00/598966600.db2.gz UPHRKVSYOZHRKC-UHFFFAOYSA-N -1 1 344.334 2.614 20 30 EFEDMM O=C([O-])C1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000821511584 597346164 /nfs/dbraw/zinc/34/61/64/597346164.db2.gz KJAODHNODYINOZ-UHFFFAOYSA-N -1 1 327.302 2.733 20 30 EFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000819855411 597641041 /nfs/dbraw/zinc/64/10/41/597641041.db2.gz BWUXHTHFHKWINP-QGZVFWFLSA-N -1 1 326.356 2.773 20 30 EFEDMM C=CCCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000735413518 599277539 /nfs/dbraw/zinc/27/75/39/599277539.db2.gz WCZBMFXGNKUSQI-UHFFFAOYSA-N -1 1 345.428 2.984 20 30 EFEDMM C=CCCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000735413518 599277541 /nfs/dbraw/zinc/27/75/41/599277541.db2.gz WCZBMFXGNKUSQI-UHFFFAOYSA-N -1 1 345.428 2.984 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820374028 598148602 /nfs/dbraw/zinc/14/86/02/598148602.db2.gz JUBWKEFIWLYXEI-NSHDSACASA-N -1 1 344.348 2.508 20 30 EFEDMM CC(C)[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000820044052 598189679 /nfs/dbraw/zinc/18/96/79/598189679.db2.gz SGPMFRAVGVAWLO-OAHLLOKOSA-N -1 1 349.456 2.526 20 30 EFEDMM CCC[C@](C)(NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)C(=O)[O-] ZINC000736959176 600151423 /nfs/dbraw/zinc/15/14/23/600151423.db2.gz FMNSGDCZXMQUMQ-IBGZPJMESA-N -1 1 345.443 2.783 20 30 EFEDMM C=CCn1c(C)cc(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000736116915 600298114 /nfs/dbraw/zinc/29/81/14/600298114.db2.gz FACYGRQFOBCECF-INIZCTEOSA-N -1 1 330.428 2.660 20 30 EFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000736544705 600375199 /nfs/dbraw/zinc/37/51/99/600375199.db2.gz JRTRUMCOWRMESA-QWHCGFSZSA-N -1 1 349.456 2.672 20 30 EFEDMM C[C@H](CN(C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)C(=O)[O-] ZINC000736570278 600507265 /nfs/dbraw/zinc/50/72/65/600507265.db2.gz CNQRPFNHWHDVBH-OMJMQIJPSA-N -1 1 330.428 2.520 20 30 EFEDMM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1cc(F)c(F)cc1F ZINC000738922783 600567620 /nfs/dbraw/zinc/56/76/20/600567620.db2.gz LOXPLCIMDXOFRX-UHFFFAOYSA-N -1 1 340.305 2.838 20 30 EFEDMM COc1ccc([O-])c(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821837293 607459321 /nfs/dbraw/zinc/45/93/21/607459321.db2.gz CGXXPPNLJPUOQZ-XQRVVYSFSA-N -1 1 340.314 2.616 20 30 EFEDMM COc1cc(C#N)ccc1OCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000737845554 600710671 /nfs/dbraw/zinc/71/06/71/600710671.db2.gz LZZVKHNYZUUWLD-UHFFFAOYSA-N -1 1 344.367 2.677 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000825702507 601037759 /nfs/dbraw/zinc/03/77/59/601037759.db2.gz PFUVBZIQWHPUFI-QGZVFWFLSA-N -1 1 334.441 2.746 20 30 EFEDMM N#C[C@@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833064931 601139579 /nfs/dbraw/zinc/13/95/79/601139579.db2.gz PABWNTSUBOPMGD-RBUKOAKNSA-N -1 1 335.407 2.695 20 30 EFEDMM N#Cc1cccc([C@@H](NCc2cccc(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833076178 601301304 /nfs/dbraw/zinc/30/13/04/601301304.db2.gz ROWAHJZZGITQHH-LJQANCHMSA-N -1 1 349.390 2.601 20 30 EFEDMM N#Cc1cccc([C@H](NCc2cccc(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833076177 601301335 /nfs/dbraw/zinc/30/13/35/601301335.db2.gz ROWAHJZZGITQHH-IBGZPJMESA-N -1 1 349.390 2.601 20 30 EFEDMM CN(Cc1ccc([S@@](C)=O)cc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830841337 601323950 /nfs/dbraw/zinc/32/39/50/601323950.db2.gz ZZXOYVSNZZNPEX-MZNJEOGPSA-N -1 1 342.420 2.553 20 30 EFEDMM CN(Cc1ccc([S@](C)=O)cc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830840480 601385742 /nfs/dbraw/zinc/38/57/42/601385742.db2.gz OCYZJZMIPKQWHV-XDHUDOTRSA-N -1 1 342.420 2.553 20 30 EFEDMM CN(Cc1ccc([S@@](C)=O)cc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830840477 601385770 /nfs/dbraw/zinc/38/57/70/601385770.db2.gz OCYZJZMIPKQWHV-MZNJEOGPSA-N -1 1 342.420 2.553 20 30 EFEDMM CCC1CCC(NCC(=O)Nc2ccc(C#N)cc2)(C(=O)[O-])CC1 ZINC000829107494 601496065 /nfs/dbraw/zinc/49/60/65/601496065.db2.gz MHVDIHOKVVUWHR-UHFFFAOYSA-N -1 1 329.400 2.510 20 30 EFEDMM N#Cc1ccccc1-c1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833074750 601570153 /nfs/dbraw/zinc/57/01/53/601570153.db2.gz AWHMIZZSEGZEOJ-GOSISDBHSA-N -1 1 336.391 2.901 20 30 EFEDMM C=CCn1c2ccccc2n(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825705831 601817072 /nfs/dbraw/zinc/81/70/72/601817072.db2.gz SUAJIKIBLXECKK-QWHCGFSZSA-N -1 1 331.441 2.968 20 30 EFEDMM C=CCN1C(=O)N=NC1S[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825711018 601863135 /nfs/dbraw/zinc/86/31/35/601863135.db2.gz LQIAXSWAUQFWPU-JTQLQIEISA-N -1 1 325.777 2.741 20 30 EFEDMM O=C([O-])C[C@H]1CSCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833223074 601886745 /nfs/dbraw/zinc/88/67/45/601886745.db2.gz VBDQFDAMALHOLE-AWEZNQCLSA-N -1 1 343.370 2.949 20 30 EFEDMM Cc1cc[nH]c2nc([C@@H](C#N)C(=O)c3ccc(NC(=O)[O-])cc3)nc1-2 ZINC000830611905 604190581 /nfs/dbraw/zinc/19/05/81/604190581.db2.gz PPWOKVHFHMTAIH-LBPRGKRZSA-N -1 1 335.323 2.846 20 30 EFEDMM C=CCOc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)cc1Cl ZINC000833377551 604758954 /nfs/dbraw/zinc/75/89/54/604758954.db2.gz BEBNEVGBDPYMBQ-MRXNPFEDSA-N -1 1 339.819 2.562 20 30 EFEDMM C#CCOc1ccccc1CNCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833366960 605094618 /nfs/dbraw/zinc/09/46/18/605094618.db2.gz MTWCXULRDMKWJQ-HNNXBMFYSA-N -1 1 339.391 2.840 20 30 EFEDMM CC[C@@H](C#N)Oc1cc(CNCc2ccoc2C(=O)[O-])ccc1OC ZINC000833635901 605095339 /nfs/dbraw/zinc/09/53/39/605095339.db2.gz BYRDRRJLRXXGFT-AWEZNQCLSA-N -1 1 344.367 2.957 20 30 EFEDMM CC(CC1CCOCC1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820234790 606860655 /nfs/dbraw/zinc/86/06/55/606860655.db2.gz PLSNQPQKLGCTPK-UHFFFAOYSA-N -1 1 333.396 2.583 20 30 EFEDMM CCc1nc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cs1 ZINC000825744563 607887855 /nfs/dbraw/zinc/88/78/55/607887855.db2.gz CVLUFHNPSITRDC-UHFFFAOYSA-N -1 1 346.420 2.617 20 30 EFEDMM C=CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919968 608652852 /nfs/dbraw/zinc/65/28/52/608652852.db2.gz UYRWIXCRORASKG-UHFFFAOYSA-N -1 1 340.343 2.556 20 30 EFEDMM C=CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919968 608652853 /nfs/dbraw/zinc/65/28/53/608652853.db2.gz UYRWIXCRORASKG-UHFFFAOYSA-N -1 1 340.343 2.556 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CCC2)o1 ZINC000921597395 1257531869 /nfs/dbraw/zinc/53/18/69/1257531869.db2.gz YYFJWLLVDVGMBA-UHFFFAOYSA-N -1 1 334.372 2.691 20 30 EFEDMM C#CCCCS(=O)(=O)[N-]c1ccc(NC(C)=O)cc1C(F)(F)F ZINC000791430607 1278121850 /nfs/dbraw/zinc/12/18/50/1278121850.db2.gz CCAJDHKJKVUPDG-UHFFFAOYSA-N -1 1 348.346 2.819 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001273206433 1263281214 /nfs/dbraw/zinc/28/12/14/1263281214.db2.gz MNDAWJMLANCQMF-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(CCOC)cc2)c1 ZINC000730995199 1264508694 /nfs/dbraw/zinc/50/86/94/1264508694.db2.gz BFBZHJXCOVSMQS-UHFFFAOYSA-N -1 1 345.420 2.688 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000730996189 1264508726 /nfs/dbraw/zinc/50/87/26/1264508726.db2.gz QAFFDPUWVVQCCA-UHFFFAOYSA-N -1 1 327.405 2.988 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(C)c1C ZINC000734299047 1266939959 /nfs/dbraw/zinc/93/99/59/1266939959.db2.gz PJZCEGGATSFYNP-UHFFFAOYSA-N -1 1 327.409 2.766 20 30 EFEDMM COCC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000735609249 1267371270 /nfs/dbraw/zinc/37/12/70/1267371270.db2.gz QYOYIPRPFKAGJS-UHFFFAOYSA-N -1 1 340.305 2.972 20 30 EFEDMM C=CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 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336.269 2.955 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)[C@@H](C)c1ccccc1 ZINC000746368606 1272114167 /nfs/dbraw/zinc/11/41/67/1272114167.db2.gz GVYOUIWZWDCOKN-GFCCVEGCSA-N -1 1 327.409 2.905 20 30 EFEDMM C[C@@](C#N)(Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC001169388142 1272889466 /nfs/dbraw/zinc/88/94/66/1272889466.db2.gz FKTSCWHPEJWOOZ-HNNXBMFYSA-N -1 1 325.763 2.766 20 30 EFEDMM C[C@@](C#N)(Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC001169388142 1272889476 /nfs/dbraw/zinc/88/94/76/1272889476.db2.gz FKTSCWHPEJWOOZ-HNNXBMFYSA-N -1 1 325.763 2.766 20 30 EFEDMM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000792476633 1278799595 /nfs/dbraw/zinc/79/95/95/1278799595.db2.gz TWKWLFRFXMAIIF-LBPRGKRZSA-N -1 1 326.743 2.633 20 30 EFEDMM COC(=O)n1ncc(C#N)c1[N-]c1nc(C)c(CC(C)C)c(C)n1 ZINC001169971407 1273646318 /nfs/dbraw/zinc/64/63/18/1273646318.db2.gz ZDPTUNUETJHKHP-UHFFFAOYSA-N -1 1 328.376 2.718 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2coc3ccccc23)c2ccccc21 ZINC000746567494 1275241375 /nfs/dbraw/zinc/24/13/75/1275241375.db2.gz ZPWYLUKPSFDSNV-UHFFFAOYSA-N -1 1 325.349 2.505 20 30 EFEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(Cl)cc1 ZINC000786112194 1275301525 /nfs/dbraw/zinc/30/15/25/1275301525.db2.gz MYQCFTDJXYYSQB-LBPRGKRZSA-N -1 1 328.746 2.961 20 30 EFEDMM CC(N=Nc1cccnn1)c1cc(Br)c(F)cc1[O-] ZINC000746577912 1275367410 /nfs/dbraw/zinc/36/74/10/1275367410.db2.gz WZXJAAISDCZZIT-UHFFFAOYSA-N -1 1 325.141 2.920 20 30 EFEDMM CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788430510 1276164086 /nfs/dbraw/zinc/16/40/86/1276164086.db2.gz WJBRQMZPWKDLPD-JGVFFNPUSA-N -1 1 348.819 2.738 20 30 EFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC23CCCC3)cc1 ZINC000788712217 1276273303 /nfs/dbraw/zinc/27/33/03/1276273303.db2.gz BWBKYANIPQFWFV-UHFFFAOYSA-N -1 1 337.401 2.724 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc(-c3ccco3)s2)c(=O)o1 ZINC000789126159 1276521408 /nfs/dbraw/zinc/52/14/08/1276521408.db2.gz CRSSDOCWXSZCST-WSNITJDQSA-N -1 1 329.333 2.631 20 30 EFEDMM COC(CCCC(C)(C)CNC(=O)c1cc([O-])cc(C#N)c1)OC ZINC000790029423 1277202151 /nfs/dbraw/zinc/20/21/51/1277202151.db2.gz LIYXDIWFGQNLND-UHFFFAOYSA-N -1 1 334.416 2.809 20 30 EFEDMM [O-]c1ccc(Cl)c(F)c1C=NN1C(=S)N=NC1[C@H]1CCCO1 ZINC000790149975 1277327709 /nfs/dbraw/zinc/32/77/09/1277327709.db2.gz RNZIYIHDUIEKAN-SNVBAGLBSA-N -1 1 342.783 2.799 20 30 EFEDMM COCCN(C)c1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cn1 ZINC000790218641 1277360513 /nfs/dbraw/zinc/36/05/13/1277360513.db2.gz UEPKGEVPXAYGIK-SXGWCWSVSA-N -1 1 340.379 2.794 20 30 EFEDMM CCOC(=O)[C@@H](C#N)[N-]c1cc(C)c(Br)cc1[N+](=O)[O-] ZINC001170370413 1279042603 /nfs/dbraw/zinc/04/26/03/1279042603.db2.gz DWQFNTNHDWNONH-SNVBAGLBSA-N -1 1 342.149 2.533 20 30 EFEDMM CCOC(=O)[C@H](C#N)[N-]c1c(Br)cc(F)c(F)c1F ZINC001170371613 1279056819 /nfs/dbraw/zinc/05/68/19/1279056819.db2.gz VLAANZBSGFALLJ-ZETCQYMHSA-N -1 1 337.095 2.734 20 30 EFEDMM CSCCC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001144049255 1279061061 /nfs/dbraw/zinc/06/10/61/1279061061.db2.gz JBVRVXSWJHNECJ-CXUHLZMHSA-N -1 1 348.453 2.913 20 30 EFEDMM C=CCC(C)(C)C(=O)N(C(=S)[N-]C(=O)OC)c1ccccc1N ZINC001144077018 1279093063 /nfs/dbraw/zinc/09/30/63/1279093063.db2.gz WESJNTNKRDIBRY-UHFFFAOYSA-N -1 1 335.429 2.845 20 30 EFEDMM CC(C)O[C@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)c1ccccc1 ZINC000793011619 1279326832 /nfs/dbraw/zinc/32/68/32/1279326832.db2.gz DBURKBDCKNUICC-CQSZACIVSA-N -1 1 340.387 2.633 20 30 EFEDMM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc2cncn2c1)c1ccccc1 ZINC000793278663 1279481421 /nfs/dbraw/zinc/48/14/21/1279481421.db2.gz DZIKEKBXNHPSQY-ROUUACIJSA-N -1 1 346.390 2.924 20 30 EFEDMM C=CCC(F)(F)C(=O)[N-][C@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000815182655 1287353337 /nfs/dbraw/zinc/35/33/37/1287353337.db2.gz UDILLAWYALTKBR-LLVKDONJSA-N -1 1 340.326 2.605 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000793359808 1279567751 /nfs/dbraw/zinc/56/77/51/1279567751.db2.gz XXSIZWKQFNHQEA-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000793391831 1279623492 /nfs/dbraw/zinc/62/34/92/1279623492.db2.gz FIGIHJOMESWNHY-UHFFFAOYSA-N -1 1 330.340 2.510 20 30 EFEDMM C=CCOCc1nn(C)c2c1CN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144550494 1279814474 /nfs/dbraw/zinc/81/44/74/1279814474.db2.gz NUVKHLMDLNAARA-UHFFFAOYSA-N -1 1 349.381 2.665 20 30 EFEDMM N#CCSCCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000805510464 1280595929 /nfs/dbraw/zinc/59/59/29/1280595929.db2.gz FTIMFPQIEKNCKC-UHFFFAOYSA-N -1 1 330.203 2.958 20 30 EFEDMM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001146211697 1280835192 /nfs/dbraw/zinc/83/51/92/1280835192.db2.gz LRXDAIBPJXYCJT-BNOWGMLFSA-N -1 1 343.383 2.600 20 30 EFEDMM Cc1nn(C)c2ncc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3O)cc12 ZINC000806559412 1281095797 /nfs/dbraw/zinc/09/57/97/1281095797.db2.gz AVDCMFMQEXQGRX-UTCJRWHESA-N -1 1 337.335 2.577 20 30 EFEDMM CC(C)C[C@](C)(C#N)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148998834 1281828127 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CC(C)(C)c1ccc2[nH]cc(C=NNc3nc4[nH][n-]cc-4c(=O)n3)c2c1 ZINC000811642361 1284473182 /nfs/dbraw/zinc/47/31/82/1284473182.db2.gz OBDSUHRIJRBUBN-UHFFFAOYSA-N -1 1 349.398 2.657 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2C(F)(F)F)c(=O)o1 ZINC000811685235 1284512158 /nfs/dbraw/zinc/51/21/58/1284512158.db2.gz MNQUAZJTESUNGV-DLGQBQFBSA-N -1 1 330.283 2.995 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2C(F)(F)F)c(=O)o1 ZINC000811685237 1284512484 /nfs/dbraw/zinc/51/24/84/1284512484.db2.gz MNQUAZJTESUNGV-QAVQXKDTSA-N -1 1 330.283 2.995 20 30 EFEDMM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc21 ZINC000811832901 1284663291 /nfs/dbraw/zinc/66/32/91/1284663291.db2.gz CLQMRSCKBDJMLQ-UHFFFAOYSA-N -1 1 345.399 2.881 20 30 EFEDMM CC(C)[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000747753091 1284786209 /nfs/dbraw/zinc/78/62/09/1284786209.db2.gz AEQRZLVHMNIKMJ-CQSZACIVSA-N -1 1 339.417 2.826 20 30 EFEDMM C[C@H]1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000747764587 1284813418 /nfs/dbraw/zinc/81/34/18/1284813418.db2.gz PSTOTRLCMHEJQC-PHIMTYICSA-N -1 1 325.390 2.685 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1nnn(-c2ccc(C)cc2)c1C ZINC000814681454 1286891070 /nfs/dbraw/zinc/89/10/70/1286891070.db2.gz NBARJTINUQJNIK-UHFFFAOYSA-N -1 1 337.387 2.524 20 30 EFEDMM Cc1cc(Cl)cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000814798411 1287027725 /nfs/dbraw/zinc/02/77/25/1287027725.db2.gz FHPHWIREWNGCDA-UHFFFAOYSA-N -1 1 333.800 2.721 20 30 EFEDMM O=c1nc(N=NC2CCCC[C@@H]2C2CCCCC2)nc2[nH][n-]cc1-2 ZINC000814843580 1287092857 /nfs/dbraw/zinc/09/28/57/1287092857.db2.gz ZMQYSVQNKRAPHZ-GFCCVEGCSA-N -1 1 328.420 2.970 20 30 EFEDMM Cc1ccc(C)c2c1NC(=O)C2=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814947903 1287178434 /nfs/dbraw/zinc/17/84/34/1287178434.db2.gz PNUNGXPMGOODHT-UHFFFAOYSA-N -1 1 334.339 2.517 20 30 EFEDMM Cc1ccc(C)c2c1NC(=O)C2=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814947903 1287178438 /nfs/dbraw/zinc/17/84/38/1287178438.db2.gz PNUNGXPMGOODHT-UHFFFAOYSA-N -1 1 334.339 2.517 20 30 EFEDMM CC(N=Nc1nc(-c2cccnc2)no1)c1cc(F)cc(F)c1[O-] ZINC000814948469 1287178858 /nfs/dbraw/zinc/17/88/58/1287178858.db2.gz OYSVBLXFNVEAIE-UHFFFAOYSA-N -1 1 331.282 2.952 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)oc2C)cc1Cl ZINC000815910335 1287878758 /nfs/dbraw/zinc/87/87/58/1287878758.db2.gz VGPLVGBNGINGOK-NSHDSACASA-N -1 1 347.758 2.915 20 30 EFEDMM COc1cc(Br)c([O-])c(NC(=O)C#Cc2cccnc2)c1 ZINC001177778196 1288526215 /nfs/dbraw/zinc/52/62/15/1288526215.db2.gz MVPBFSHZIKHUTG-UHFFFAOYSA-N -1 1 347.168 2.549 20 30 EFEDMM C=C[C@H](CCCC)Oc1[n-]c(=O)ncc1I ZINC001226772739 1311720978 /nfs/dbraw/zinc/72/09/78/1311720978.db2.gz CRQPMLYAPILWOP-MRVPVSSYSA-N -1 1 334.157 2.910 20 30 EFEDMM CSc1nc(C)c(CCC(=O)OCc2cccc(C#N)c2)c(=O)[n-]1 ZINC001649152191 1289257282 /nfs/dbraw/zinc/25/72/82/1289257282.db2.gz SDYKOQOXRMMTDC-UHFFFAOYSA-N -1 1 343.408 2.760 20 30 EFEDMM COc1ccc(CCCC(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001181216381 1289748200 /nfs/dbraw/zinc/74/82/00/1289748200.db2.gz VAIUVOPCRGEWBO-UHFFFAOYSA-N -1 1 327.384 2.843 20 30 EFEDMM N#Cc1ccc(NC(=O)C2CN(c3ccc(Cl)cc3)C2)c([O-])c1 ZINC001181536291 1289834632 /nfs/dbraw/zinc/83/46/32/1289834632.db2.gz CIRQQRIJKLSANR-UHFFFAOYSA-N -1 1 327.771 2.992 20 30 EFEDMM CO[C@@H](C)CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001181552806 1289843451 /nfs/dbraw/zinc/84/34/51/1289843451.db2.gz IPVPIOKQBFUEDF-VJCPFXPRSA-N -1 1 346.412 2.585 20 30 EFEDMM C=C(C)C(C)(C)C(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000956347406 1290107624 /nfs/dbraw/zinc/10/76/24/1290107624.db2.gz GKQWYZTYQNIPEA-UHFFFAOYSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncc(C#N)cc1Cl ZINC001185795978 1290765170 /nfs/dbraw/zinc/76/51/70/1290765170.db2.gz VENDTSRJZWABOR-UHFFFAOYSA-N -1 1 325.752 2.855 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186252353 1290925638 /nfs/dbraw/zinc/92/56/38/1290925638.db2.gz QEYGNRMFVQYDKA-ZDUSSCGKSA-N -1 1 343.770 2.836 20 30 EFEDMM C=CCOCc1ncn2c1CN(Cc1cc([O-])c(F)c(F)c1)CCC2 ZINC001232972297 1312822805 /nfs/dbraw/zinc/82/28/05/1312822805.db2.gz MCNPOBDBPZXXIJ-UHFFFAOYSA-N -1 1 349.381 2.975 20 30 EFEDMM CCCCCCCCS(=O)(=O)[N-]c1ccc(C(N)=O)cc1O ZINC001188017714 1291295411 /nfs/dbraw/zinc/29/54/11/1291295411.db2.gz CHNFMTFNRICELV-UHFFFAOYSA-N -1 1 328.434 2.593 20 30 EFEDMM N#Cc1cccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)c1 ZINC001233078897 1312850556 /nfs/dbraw/zinc/85/05/56/1312850556.db2.gz NLCCNCHDNDGDCK-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM Cc1cccc([O-])c1C(=O)Nc1ncc(C#N)cc1Br ZINC001188637994 1291440242 /nfs/dbraw/zinc/44/02/42/1291440242.db2.gz DZRCSELBHXVDBD-UHFFFAOYSA-N -1 1 332.157 2.982 20 30 EFEDMM COc1ccc(C#N)c(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001189074522 1291574388 /nfs/dbraw/zinc/57/43/88/1291574388.db2.gz WONWIVOWXFQCJW-UHFFFAOYSA-N -1 1 334.335 2.710 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1C#N ZINC001189229600 1291622291 /nfs/dbraw/zinc/62/22/91/1291622291.db2.gz ONGIZQVDFDXCGF-UHFFFAOYSA-N -1 1 330.365 2.570 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)ccc1C#N ZINC001189232989 1291626553 /nfs/dbraw/zinc/62/65/53/1291626553.db2.gz WNGFIRZPDODPSK-UHFFFAOYSA-N -1 1 330.365 2.570 20 30 EFEDMM N#CCC1(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)CC1 ZINC000878724000 1291768144 /nfs/dbraw/zinc/76/81/44/1291768144.db2.gz XRXWPDNKTVHAQO-CYBMUJFWSA-N -1 1 337.345 2.790 20 30 EFEDMM CCc1cc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)no1 ZINC001190008001 1291950839 /nfs/dbraw/zinc/95/08/39/1291950839.db2.gz LOYSHERYBZIOTN-UHFFFAOYSA-N -1 1 343.261 2.701 20 30 EFEDMM CC1(C)CC(=O)C=C(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)C1 ZINC001190267939 1292091326 /nfs/dbraw/zinc/09/13/26/1292091326.db2.gz OYANIRNBTLWYNY-UHFFFAOYSA-N -1 1 337.379 2.852 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233334744 1312906633 /nfs/dbraw/zinc/90/66/33/1312906633.db2.gz RSEPNKIJFPMZPL-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc(C#N)c1F ZINC001190557643 1292219177 /nfs/dbraw/zinc/21/91/77/1292219177.db2.gz UKGRTHFBPMZTGC-UHFFFAOYSA-N -1 1 332.262 2.581 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)nnc2Cl)c1 ZINC001190615721 1292227067 /nfs/dbraw/zinc/22/70/67/1292227067.db2.gz AQLSVACCAABNGK-UHFFFAOYSA-N -1 1 347.158 2.595 20 30 EFEDMM Cc1nc2c([N-]S(=O)(=O)c3cc(C#N)ccc3F)cccn2c1C ZINC001190619364 1292227880 /nfs/dbraw/zinc/22/78/80/1292227880.db2.gz JBSXFCRYCZNDKK-UHFFFAOYSA-N -1 1 344.371 2.763 20 30 EFEDMM N#CCc1cccc(NC(=O)c2cnc(-c3ccccn3)[n-]c2=O)c1 ZINC001190632245 1292256044 /nfs/dbraw/zinc/25/60/44/1292256044.db2.gz HXWGHSRQISNJMH-UHFFFAOYSA-N -1 1 331.335 2.563 20 30 EFEDMM C=CCC1(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccccc2Cl)CC1 ZINC001190824041 1292330072 /nfs/dbraw/zinc/33/00/72/1292330072.db2.gz IBFLGGNVNOBMGN-CYBMUJFWSA-N -1 1 343.832 2.582 20 30 EFEDMM CCCCCCCNC(=O)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001191096308 1292479181 /nfs/dbraw/zinc/47/91/81/1292479181.db2.gz WGUDVOUGZDAHFG-UHFFFAOYSA-N -1 1 337.386 2.809 20 30 EFEDMM CCOC(=O)CN(CCC#N)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419456 1312928950 /nfs/dbraw/zinc/92/89/50/1312928950.db2.gz YCZTYDFCNUCGPW-UHFFFAOYSA-N -1 1 330.306 2.690 20 30 EFEDMM N#Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192049939 1292745984 /nfs/dbraw/zinc/74/59/84/1292745984.db2.gz NSBNOEYXZOMNQC-SNVBAGLBSA-N -1 1 339.631 2.793 20 30 EFEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cccc(C#N)c3)c2)o1 ZINC001192220058 1292837716 /nfs/dbraw/zinc/83/77/16/1292837716.db2.gz SKGFDPZBLIJYAA-UHFFFAOYSA-N -1 1 340.364 2.718 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)c1 ZINC001192264075 1292847026 /nfs/dbraw/zinc/84/70/26/1292847026.db2.gz FGQNNIZZALXOQI-UHFFFAOYSA-N -1 1 339.376 2.827 20 30 EFEDMM CSc1ncc(C(=O)[N-]c2onc(C)c2C#N)c(C(F)(F)F)n1 ZINC001192655346 1292958851 /nfs/dbraw/zinc/95/88/51/1292958851.db2.gz LJOBOMUKYCISMX-UHFFFAOYSA-N -1 1 343.290 2.638 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnccc2Cl)c(F)c1F ZINC001192894093 1293091592 /nfs/dbraw/zinc/09/15/92/1293091592.db2.gz XKWICNQBZREYNJ-UHFFFAOYSA-N -1 1 329.715 2.686 20 30 EFEDMM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cnccc2Cl)c1F ZINC001192902946 1293093851 /nfs/dbraw/zinc/09/38/51/1293093851.db2.gz YBVZOIMQOYZDBR-UHFFFAOYSA-N -1 1 347.705 2.825 20 30 EFEDMM C=CCCC[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882140712 1293110586 /nfs/dbraw/zinc/11/05/86/1293110586.db2.gz NIFZRBHEEBDGCT-UHFFFAOYSA-N -1 1 328.743 2.998 20 30 EFEDMM COc1ccc(COc2cccc([N-]S(=O)(=O)CC#N)c2)cc1 ZINC001192982069 1293115968 /nfs/dbraw/zinc/11/59/68/1293115968.db2.gz DOOIQVNWSUNVOY-UHFFFAOYSA-N -1 1 332.381 2.539 20 30 EFEDMM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)CC#N)cc1Cl ZINC001192985386 1293117114 /nfs/dbraw/zinc/11/71/14/1293117114.db2.gz CKEMEGQTOSTHSG-UHFFFAOYSA-N -1 1 345.808 2.952 20 30 EFEDMM N#CCS(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC001192986346 1293118373 /nfs/dbraw/zinc/11/83/73/1293118373.db2.gz YUNCRLBVSKFLKM-UHFFFAOYSA-N -1 1 348.224 2.869 20 30 EFEDMM N#CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001192972144 1293129004 /nfs/dbraw/zinc/12/90/04/1293129004.db2.gz NPGZZBAWZJFRQC-UHFFFAOYSA-N -1 1 347.362 2.961 20 30 EFEDMM Cc1nc(C(=O)N([O-])C(=N)c2ccccc2N)ccc1Br ZINC001193069628 1293150900 /nfs/dbraw/zinc/15/09/00/1293150900.db2.gz RIMYBTBKHACKIX-UHFFFAOYSA-N -1 1 349.188 2.592 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(F)cc1Cl ZINC001193150096 1293186989 /nfs/dbraw/zinc/18/69/89/1293186989.db2.gz VISLIHIWZCATMI-RXMQYKEDSA-N -1 1 341.589 2.895 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2scnc2c1Br ZINC001193150633 1293187403 /nfs/dbraw/zinc/18/74/03/1293187403.db2.gz ZKKCECBBSRQQBJ-LURJTMIESA-N -1 1 346.231 2.713 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2nc(C(F)(F)F)ccc2c1 ZINC001193149605 1293187557 /nfs/dbraw/zinc/18/75/57/1293187557.db2.gz QTSVVMZTDWVIAT-QMMMGPOBSA-N -1 1 329.303 2.907 20 30 EFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c1 ZINC001193436551 1293290458 /nfs/dbraw/zinc/29/04/58/1293290458.db2.gz LASGGUDKGAYTFQ-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COc1ccnc(C(=O)Nc2ccc3nc(C#N)sc3c2)c1[O-] ZINC001193531640 1293328127 /nfs/dbraw/zinc/32/81/27/1293328127.db2.gz MQSRQQPMVJIRGZ-UHFFFAOYSA-N -1 1 326.337 2.529 20 30 EFEDMM COC(=O)[C@@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccc(F)cc1 ZINC001233804448 1312996320 /nfs/dbraw/zinc/99/63/20/1312996320.db2.gz ZRNOPKJBMLRKIX-JJLFXSABSA-N -1 1 333.315 2.936 20 30 EFEDMM C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@H]3C)n2)n[n-]c1=S ZINC000026091679 1293369353 /nfs/dbraw/zinc/36/93/53/1293369353.db2.gz NIKGPWBEGVGCID-PSASIEDQSA-N -1 1 335.458 2.768 20 30 EFEDMM COC(=O)[C@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccc(F)cc1 ZINC001233804450 1312996684 /nfs/dbraw/zinc/99/66/84/1312996684.db2.gz ZRNOPKJBMLRKIX-MWJIIQFGSA-N -1 1 333.315 2.936 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2C#N)c(F)c1 ZINC001193635495 1293377545 /nfs/dbraw/zinc/37/75/45/1293377545.db2.gz ARCIPMYPJWGJHA-UHFFFAOYSA-N -1 1 336.344 2.515 20 30 EFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-][C@@H](C2CCC2)C(F)(F)F)c1 ZINC001193699486 1293419537 /nfs/dbraw/zinc/41/95/37/1293419537.db2.gz YYUHRIAUGJJPFP-ZDUSSCGKSA-N -1 1 348.346 2.576 20 30 EFEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCCC2)c1 ZINC001193705727 1293421676 /nfs/dbraw/zinc/42/16/76/1293421676.db2.gz LBQBCMJTPKBKCX-UHFFFAOYSA-N -1 1 348.346 2.720 20 30 EFEDMM N#C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc12)c1ccc(F)cc1 ZINC001194112831 1293520673 /nfs/dbraw/zinc/52/06/73/1293520673.db2.gz ZLHXHYWQUYBZDP-AWEZNQCLSA-N -1 1 345.355 2.651 20 30 EFEDMM CC(C)C[C@](C)(C#N)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194597186 1293676375 /nfs/dbraw/zinc/67/63/75/1293676375.db2.gz FYKAQAGWIWCKSP-GFCCVEGCSA-N -1 1 335.351 2.707 20 30 EFEDMM CCOC(=O)NC(=S)[N-]c1ccc(Br)c(C#N)c1 ZINC001195487377 1293939799 /nfs/dbraw/zinc/93/97/99/1293939799.db2.gz VLYLZWHXOPZKRH-UHFFFAOYSA-N -1 1 328.191 2.764 20 30 EFEDMM N#CC1(CCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOCC1 ZINC000800185115 1293946782 /nfs/dbraw/zinc/94/67/82/1293946782.db2.gz ARJPIEBDKGPJML-UHFFFAOYSA-N -1 1 334.328 2.558 20 30 EFEDMM CCOC(=O)CCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196319919 1294196841 /nfs/dbraw/zinc/19/68/41/1294196841.db2.gz GLSNBWISPGGVMY-UHFFFAOYSA-N -1 1 338.363 2.614 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3ncccc3O)c2)c1 ZINC001196329782 1294198721 /nfs/dbraw/zinc/19/87/21/1294198721.db2.gz GYUILJXLMAUMTL-UHFFFAOYSA-N -1 1 345.358 2.961 20 30 EFEDMM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C(=O)[O-])ccc1F ZINC001273719418 1294213272 /nfs/dbraw/zinc/21/32/72/1294213272.db2.gz TXUHJMQBRLZSKG-IAGOWNOFSA-N -1 1 346.402 2.665 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)ccc1O ZINC001196680674 1294315627 /nfs/dbraw/zinc/31/56/27/1294315627.db2.gz XTGRDUQHYXZNQF-UHFFFAOYSA-N -1 1 333.756 2.590 20 30 EFEDMM CCCOc1cccnc1C(=O)[N-]c1c(C#N)csc1C(=O)OC ZINC001196923626 1294401292 /nfs/dbraw/zinc/40/12/92/1294401292.db2.gz OKKBUEXQFIASNE-UHFFFAOYSA-N -1 1 345.380 2.842 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC(=O)N3C)n1 ZINC000136090853 1294477151 /nfs/dbraw/zinc/47/71/51/1294477151.db2.gz NCWPWQPZLKFNPT-ZDUSSCGKSA-N -1 1 325.393 2.851 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1ncc(-c2ccccc2)cn1 ZINC001197249992 1294486155 /nfs/dbraw/zinc/48/61/55/1294486155.db2.gz GITGSSCFBUFRRH-UHFFFAOYSA-N -1 1 333.351 2.583 20 30 EFEDMM Cc1cc(Br)oc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001197326561 1294518136 /nfs/dbraw/zinc/51/81/36/1294518136.db2.gz LMEPSZSZYJSWAV-UHFFFAOYSA-N -1 1 338.161 2.790 20 30 EFEDMM COC(=O)c1cc([O-])c(F)cc1NC(=S)Nc1cccc(C#N)c1 ZINC001197715828 1294659125 /nfs/dbraw/zinc/65/91/25/1294659125.db2.gz AHTXJIJIBJECOV-UHFFFAOYSA-N -1 1 345.355 2.998 20 30 EFEDMM C[C@](C#N)([N-]S(=O)(=O)Cc1ccccn1)c1ccccc1Cl ZINC001197847174 1294738063 /nfs/dbraw/zinc/73/80/63/1294738063.db2.gz QFLABFBUBHEEHF-OAHLLOKOSA-N -1 1 335.816 2.593 20 30 EFEDMM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198148033 1294911060 /nfs/dbraw/zinc/91/10/60/1294911060.db2.gz JYFSTYFOHBWBNR-UHFFFAOYSA-N -1 1 338.392 2.919 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H](C#N)c1cccc(F)c1 ZINC001234558399 1313156666 /nfs/dbraw/zinc/15/66/66/1313156666.db2.gz VETDHKXMPKQTKE-GFCCVEGCSA-N -1 1 345.330 2.875 20 30 EFEDMM CCC#C[C@H](C)Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234556437 1313156919 /nfs/dbraw/zinc/15/69/19/1313156919.db2.gz FGXYOUFKMGQHIB-LBPRGKRZSA-N -1 1 326.352 2.817 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(F)cc2C(=O)[O-])C1=O ZINC001274153914 1295518500 /nfs/dbraw/zinc/51/85/00/1295518500.db2.gz UNOUHUTVIFFBCI-IBGZPJMESA-N -1 1 346.402 2.667 20 30 EFEDMM C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=O)c(F)cc2C(=O)OC)C(C)(C)O1 ZINC001234607190 1313166886 /nfs/dbraw/zinc/16/68/86/1313166886.db2.gz ZEBTWYSHCPFEAY-SJKOYZFVSA-N -1 1 339.363 2.994 20 30 EFEDMM C#C[C@H](C)Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC001234749619 1313188756 /nfs/dbraw/zinc/18/87/56/1313188756.db2.gz RHKOWKSEGJBGQZ-VIFPVBQESA-N -1 1 326.304 2.767 20 30 EFEDMM C#C[C@H](CC)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234751250 1313189144 /nfs/dbraw/zinc/18/91/44/1313189144.db2.gz VQVCQFLRAKUYPV-SNVBAGLBSA-N -1 1 326.304 2.854 20 30 EFEDMM O=C(c1cccnc1F)N1CCC[C@@H](Oc2ccccc2C=N[O-])C1 ZINC001234818549 1313194116 /nfs/dbraw/zinc/19/41/16/1313194116.db2.gz AXWKQRXFLMKZOW-CQSZACIVSA-N -1 1 343.358 2.712 20 30 EFEDMM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1ccccc1C=N[O-] ZINC001234822231 1313194549 /nfs/dbraw/zinc/19/45/49/1313194549.db2.gz LXXVEJJKOHYLAJ-INIZCTEOSA-N -1 1 327.384 2.836 20 30 EFEDMM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc([O-])c(F)c(F)c1 ZINC001274808080 1296182900 /nfs/dbraw/zinc/18/29/00/1296182900.db2.gz POEYMVMASGYCPA-HUUCEWRRSA-N -1 1 349.381 2.539 20 30 EFEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201046885 1296562500 /nfs/dbraw/zinc/56/25/00/1296562500.db2.gz RTPVCVMDRDJFJQ-MRVPVSSYSA-N -1 1 335.198 2.559 20 30 EFEDMM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201047825 1296563107 /nfs/dbraw/zinc/56/31/07/1296563107.db2.gz IPUJBPNAFQPUIY-NSHDSACASA-N -1 1 335.198 2.559 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1C#N ZINC001201315540 1296722282 /nfs/dbraw/zinc/72/22/82/1296722282.db2.gz DIYMZGDCNHTOCQ-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)cc2nn1C ZINC001201317422 1296723743 /nfs/dbraw/zinc/72/37/43/1296723743.db2.gz RYWKIXIZWIUEHR-UHFFFAOYSA-N -1 1 340.408 2.863 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2CO)cc1C#N ZINC001201322572 1296726978 /nfs/dbraw/zinc/72/69/78/1296726978.db2.gz OWCUOMXINJTFNY-UHFFFAOYSA-N -1 1 336.800 2.813 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1C#N ZINC001201322962 1296727688 /nfs/dbraw/zinc/72/76/88/1296727688.db2.gz UYSPZWKQMQZIHH-UHFFFAOYSA-N -1 1 329.337 2.514 20 30 EFEDMM COc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC001412795204 1297752561 /nfs/dbraw/zinc/75/25/61/1297752561.db2.gz LAMXBHYCCLZSBU-LLVKDONJSA-N -1 1 326.352 2.772 20 30 EFEDMM C[C@@H]1COCCN1c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776350808 1297928932 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@H](C2CC2)C1 ZINC000748248110 1313831116 /nfs/dbraw/zinc/83/11/16/1313831116.db2.gz GSYVFRBETRKJDB-LBPRGKRZSA-N -1 1 337.401 2.829 20 30 EFEDMM CCO[C@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1(CC)CC ZINC000748251938 1313832367 /nfs/dbraw/zinc/83/23/67/1313832367.db2.gz ZHRGMCWVXBNKPZ-HNNXBMFYSA-N -1 1 349.456 2.696 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc2ccccc2o1 ZINC000748255469 1313834392 /nfs/dbraw/zinc/83/43/92/1313834392.db2.gz VVRVDOCLKUKUPY-UHFFFAOYSA-N -1 1 345.336 2.653 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCCCCC1 ZINC000748255500 1313834473 /nfs/dbraw/zinc/83/44/73/1313834473.db2.gz WTDAQIBJBGWAMY-UHFFFAOYSA-N -1 1 325.390 2.973 20 30 EFEDMM C[C@H]1C[C@@H]1c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000748255481 1313834499 /nfs/dbraw/zinc/83/44/99/1313834499.db2.gz VZFCIGREDGSEOV-JQWIXIFHSA-N -1 1 349.368 2.624 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C ZINC000794581708 1302768274 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COc1ccc(C#N)cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072872 1311054987 /nfs/dbraw/zinc/05/49/87/1311054987.db2.gz VMFHSZRWLISVKV-UHFFFAOYSA-N -1 1 328.280 2.538 20 30 EFEDMM COC(C[C@@H](C)O/C(=N\[O-])c1ccccc1Br)OC ZINC001223884447 1311314898 /nfs/dbraw/zinc/31/48/98/1311314898.db2.gz JZGLYEPHWVTCOH-ZVNCQBAKSA-N -1 1 332.194 2.999 20 30 EFEDMM COC(=O)[C@@H]1CCC[C@@H]1O/C(=N\[O-])c1ccccc1Br ZINC001223884583 1311314946 /nfs/dbraw/zinc/31/49/46/1311314946.db2.gz NOBOVCVSDYPCGA-FZCVSMTESA-N -1 1 342.189 2.943 20 30 EFEDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O/C(=N\[O-])c1cc(F)ccc1F ZINC001223889677 1311315932 /nfs/dbraw/zinc/31/59/32/1311315932.db2.gz JOTLXESFTXROCI-OKUINBFDSA-N -1 1 340.286 2.619 20 30 EFEDMM CC(=O)c1ccc([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001225616805 1311553921 /nfs/dbraw/zinc/55/39/21/1311553921.db2.gz PXMHMYXXFNRZRN-BLLLJJGKSA-N -1 1 346.383 2.733 20 30 EFEDMM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H]2NC(=O)c3ccccc32)n1 ZINC001159970233 1311619569 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/nfs/dbraw/zinc/46/66/29/1329466629.db2.gz AISRHECBFSRCDU-FNORWQNLSA-N -1 1 326.304 2.773 20 30 EFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC001323496613 1329547218 /nfs/dbraw/zinc/54/72/18/1329547218.db2.gz HWORYSAHWOLQKG-UHFFFAOYSA-N -1 1 338.392 2.739 20 30 EFEDMM CC#CC[C@H](NCc1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC001332032611 1330907594 /nfs/dbraw/zinc/90/75/94/1330907594.db2.gz NJTJJUDEPSUNPB-HNNXBMFYSA-N -1 1 331.803 2.790 20 30 EFEDMM C=CCN(CC(=O)[O-])Cc1ccc(OC(F)F)cc1OC(F)F ZINC001333123987 1331081866 /nfs/dbraw/zinc/08/18/66/1331081866.db2.gz FVHNQVUQZSJUBQ-UHFFFAOYSA-N -1 1 337.269 2.962 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CC(=C)C ZINC001338709805 1331727809 /nfs/dbraw/zinc/72/78/09/1331727809.db2.gz ROGIEHATAUZAMH-UHFFFAOYSA-N -1 1 326.404 2.516 20 30 EFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(OC)CC1 ZINC001338979641 1331764200 /nfs/dbraw/zinc/76/42/00/1331764200.db2.gz BIGXJEIMLZCFCC-UHFFFAOYSA-N -1 1 349.822 2.500 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@H](C)C[C@@H]1C ZINC001339497305 1331881792 /nfs/dbraw/zinc/88/17/92/1331881792.db2.gz KRLFPFSBJHLXKF-NEPJUHHUSA-N -1 1 340.431 2.739 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001339497309 1331881800 /nfs/dbraw/zinc/88/18/00/1331881800.db2.gz KRLFPFSBJHLXKF-RYUDHWBXSA-N -1 1 340.431 2.739 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC(C)CC1 ZINC001340223816 1332156874 /nfs/dbraw/zinc/15/68/74/1332156874.db2.gz JTBFOOBXAGXUDR-UHFFFAOYSA-N -1 1 340.431 2.740 20 30 EFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(CC(F)(F)F)n1 ZINC001341723410 1332279775 /nfs/dbraw/zinc/27/97/75/1332279775.db2.gz GMGLQVWYKVJIEA-SNVBAGLBSA-N -1 1 347.300 2.822 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC(F)(F)CC1 ZINC001343715312 1332372294 /nfs/dbraw/zinc/37/22/94/1332372294.db2.gz SVUQKGJHRAEYRS-UHFFFAOYSA-N -1 1 338.362 2.576 20 30 EFEDMM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC(=C)C)C1 ZINC001343714016 1332372317 /nfs/dbraw/zinc/37/23/17/1332372317.db2.gz JIIDMAMDIIZCIH-CYBMUJFWSA-N -1 1 328.420 2.742 20 30 EFEDMM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1C1CCOCC1 ZINC001344017093 1332397233 /nfs/dbraw/zinc/39/72/33/1332397233.db2.gz LRCKQZUZQFBBHM-CYBMUJFWSA-N -1 1 328.347 2.567 20 30 EFEDMM Cc1c(C([O-])=C(C#N)c2cccc(F)n2)cnn1C1CCOCC1 ZINC001344017094 1332397280 /nfs/dbraw/zinc/39/72/80/1332397280.db2.gz LRCKQZUZQFBBHM-ZDUSSCGKSA-N -1 1 328.347 2.567 20 30 EFEDMM O=c1[n-]c(=S)[nH]c(NC(=S)NC2CC2)c1N=Cc1ccccc1 ZINC001200622104 1334218506 /nfs/dbraw/zinc/21/85/06/1334218506.db2.gz XBRSTMZFHURMDJ-LZYBPNLTSA-N -1 1 345.453 2.670 20 30 EFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCCCC#N ZINC000848339458 1334666249 /nfs/dbraw/zinc/66/62/49/1334666249.db2.gz BHYKUIXKLAPCRB-VXGBXAGGSA-N -1 1 333.354 2.518 20 30 EFEDMM C=C(C)CCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001358319600 1335371839 /nfs/dbraw/zinc/37/18/39/1335371839.db2.gz DFBMXGNJZMCPIJ-CYBMUJFWSA-N -1 1 340.345 2.979 20 30 EFEDMM C#CCCCS(=O)(=O)[N-]c1nc(C)c(Br)cc1CC ZINC000849336327 1335593721 /nfs/dbraw/zinc/59/37/21/1335593721.db2.gz XVOGNIPFBOYPMQ-UHFFFAOYSA-N -1 1 345.262 2.870 20 30 EFEDMM CC[C@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001361891711 1336400923 /nfs/dbraw/zinc/40/09/23/1336400923.db2.gz LAERYZYXGDASMP-CYBMUJFWSA-N -1 1 343.408 2.976 20 30 EFEDMM N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC001362718132 1336714880 /nfs/dbraw/zinc/71/48/80/1336714880.db2.gz VPMKUOFMQFANOC-UHFFFAOYSA-N -1 1 341.798 2.880 20 30 EFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001363028954 1336765514 /nfs/dbraw/zinc/76/55/14/1336765514.db2.gz DKNATQTYAZKVMV-HNNXBMFYSA-N -1 1 330.771 2.723 20 30 EFEDMM N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC001363567634 1336933805 /nfs/dbraw/zinc/93/38/05/1336933805.db2.gz CPKUUWNBFACRFG-UHFFFAOYSA-N -1 1 343.333 2.504 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCOC[C@@H]2c2cc(F)cc(F)c2)cc1[O-] ZINC001434185396 1387105447 /nfs/dbraw/zinc/10/54/47/1387105447.db2.gz NYFIGYDLUKCHBO-MRXNPFEDSA-N -1 1 344.317 2.756 20 30 EFEDMM CCCCCCCCCC=CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC000913495086 1427111667 /nfs/dbraw/zinc/11/16/67/1427111667.db2.gz QRIVMMWTJPEOGE-WOLCWHLNSA-N -1 1 335.452 2.797 20 30 EFEDMM N#Cc1nnc2ccccc2c1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000737729724 1428351916 /nfs/dbraw/zinc/35/19/16/1428351916.db2.gz CAIJYVHXILEWAU-UHFFFAOYSA-N -1 1 331.364 2.833 20 30 EFEDMM N#CC1(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC000826379908 1428366331 /nfs/dbraw/zinc/36/63/31/1428366331.db2.gz GRTNYPHPWOKXQP-HJWRWDBZSA-N -1 1 337.383 2.897 20 30 EFEDMM N#Cc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000822823184 1428374241 /nfs/dbraw/zinc/37/42/41/1428374241.db2.gz MKWWLSHRHQMYGX-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM C[C@H](CC#N)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824385384 1428441001 /nfs/dbraw/zinc/44/10/01/1428441001.db2.gz RVWNCHUHDYGBAN-GFCCVEGCSA-N -1 1 348.366 2.691 20 30 EFEDMM CCOC(=O)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821343933 1428661531 /nfs/dbraw/zinc/66/15/31/1428661531.db2.gz ZQWNHYXLTJDZPK-SOFGYWHQSA-N -1 1 338.323 2.533 20 30 EFEDMM c1ccc2c(c1)CCSCC2=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000823796493 1428670920 /nfs/dbraw/zinc/67/09/20/1428670920.db2.gz CFQDHFNDRLOWCQ-UHFFFAOYSA-N -1 1 336.424 2.972 20 30 EFEDMM C=CCCO[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823899532 1428770256 /nfs/dbraw/zinc/77/02/56/1428770256.db2.gz XPIPAZYWXZCJEC-SNVBAGLBSA-N -1 1 336.779 2.545 20 30 EFEDMM N#C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826380180 1428834654 /nfs/dbraw/zinc/83/46/54/1428834654.db2.gz QEDFSIPHOXZNBB-QGZVFWFLSA-N -1 1 344.378 2.566 20 30 EFEDMM C=CCOc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823931857 1428840959 /nfs/dbraw/zinc/84/09/59/1428840959.db2.gz HXDDMRBSCQVJDG-QGZVFWFLSA-N -1 1 338.367 2.544 20 30 EFEDMM C=CCNC(=O)Nc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735431546 1428881822 /nfs/dbraw/zinc/88/18/22/1428881822.db2.gz DNAALICWNTVTQY-UHFFFAOYSA-N -1 1 349.398 2.786 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819688657 1428918241 /nfs/dbraw/zinc/91/82/41/1428918241.db2.gz LSWXMDJRGOZONC-GFCCVEGCSA-N -1 1 333.351 2.789 20 30 EFEDMM CCO[C@H]1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)C12CCCCC2 ZINC000736619609 1428961479 /nfs/dbraw/zinc/96/14/79/1428961479.db2.gz YKQALMSGEDJXBW-LBPRGKRZSA-N -1 1 345.407 2.690 20 30 EFEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735660601 1428969166 /nfs/dbraw/zinc/96/91/66/1428969166.db2.gz DWHDAZXCAYPCGT-UHFFFAOYSA-N -1 1 341.400 2.609 20 30 EFEDMM C=CCC[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894023 1429015340 /nfs/dbraw/zinc/01/53/40/1429015340.db2.gz FAKCTVOQCBHTPD-CQSZACIVSA-N -1 1 328.372 2.534 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826382302 1429027862 /nfs/dbraw/zinc/02/78/62/1429027862.db2.gz XNDUVBLDIXYPHO-SNAWJCMRSA-N -1 1 337.364 2.727 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(F)ccc1O ZINC000823953890 1429040760 /nfs/dbraw/zinc/04/07/60/1429040760.db2.gz UISFRZCONYWKQK-UHFFFAOYSA-N -1 1 347.741 2.596 20 30 EFEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccccn2)s1 ZINC000819718941 1429124773 /nfs/dbraw/zinc/12/47/73/1429124773.db2.gz VHOOMUHVFHBCSF-UHFFFAOYSA-N -1 1 348.395 2.831 20 30 EFEDMM C#CC[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819693558 1429183525 /nfs/dbraw/zinc/18/35/25/1429183525.db2.gz UEJNLOSBDKMBEC-OAHLLOKOSA-N -1 1 344.440 2.691 20 30 EFEDMM CC(=O)Nc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000824004645 1429186359 /nfs/dbraw/zinc/18/63/59/1429186359.db2.gz BDUZDKOFEOGKPM-KTKRTIGZSA-N -1 1 333.351 2.721 20 30 EFEDMM Cc1ccc(C#N)cc1OCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822225013 1429203606 /nfs/dbraw/zinc/20/36/06/1429203606.db2.gz JRMAOSNZHRYOLA-UHFFFAOYSA-N -1 1 335.367 2.895 20 30 EFEDMM N#Cc1ccc(F)c(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822829732 1429294230 /nfs/dbraw/zinc/29/42/30/1429294230.db2.gz GNXBJZYFIGZNOA-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000823894790 1429560929 /nfs/dbraw/zinc/56/09/29/1429560929.db2.gz XFGVOBGTIJPBEQ-NSHDSACASA-N -1 1 330.392 2.742 20 30 EFEDMM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401129 1429627115 /nfs/dbraw/zinc/62/71/15/1429627115.db2.gz QGMGSNFMJROPNG-ORCRQEGFSA-N -1 1 336.326 2.837 20 30 EFEDMM C=CC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000189334450 1423349039 /nfs/dbraw/zinc/34/90/39/1423349039.db2.gz BSOKUJRJPSFBDG-KRWDZBQOSA-N -1 1 333.395 2.843 20 30 EFEDMM C#CC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838813 1423462184 /nfs/dbraw/zinc/46/21/84/1423462184.db2.gz VEKPBYNWNNMRJU-GOSISDBHSA-N -1 1 345.406 2.680 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2ccc(F)cc21 ZINC000823503367 1423471297 /nfs/dbraw/zinc/47/12/97/1423471297.db2.gz DXUUELHPNXPVHE-VMPITWQZSA-N -1 1 328.328 2.726 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(F)c2F)o1 ZINC000735655543 1423711142 /nfs/dbraw/zinc/71/11/42/1423711142.db2.gz BDNJSIDBFSXWAQ-UHFFFAOYSA-N -1 1 347.329 2.876 20 30 EFEDMM N#Cc1ccc(Cl)cc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826385746 1423813765 /nfs/dbraw/zinc/81/37/65/1423813765.db2.gz YXLGRJZLWXMFFT-CQSZACIVSA-N -1 1 341.758 2.504 20 30 EFEDMM C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136580 1423852392 /nfs/dbraw/zinc/85/23/92/1423852392.db2.gz HCUPWHAAWKBWEX-SECBINFHSA-N -1 1 325.763 2.960 20 30 EFEDMM C[C@](C#N)(NC(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000819844302 1423892735 /nfs/dbraw/zinc/89/27/35/1423892735.db2.gz BMQCTXJNUZEEAM-OAHLLOKOSA-N -1 1 330.417 2.521 20 30 EFEDMM C=CCC[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823894066 1423895762 /nfs/dbraw/zinc/89/57/62/1423895762.db2.gz GSPHBLFSDOGOKX-GFCCVEGCSA-N -1 1 330.388 2.922 20 30 EFEDMM C[C@H](CN(C)C(=O)c1ccccc1-c1ccccc1C#N)c1nnn[n-]1 ZINC000183410506 1423980859 /nfs/dbraw/zinc/98/08/59/1423980859.db2.gz FCNZRXSLDIGHAP-CYBMUJFWSA-N -1 1 346.394 2.614 20 30 EFEDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@](C)(C#N)C1 ZINC000826304639 1429697533 /nfs/dbraw/zinc/69/75/33/1429697533.db2.gz SNWSVUICQKRENC-SFHVURJKSA-N -1 1 333.399 2.853 20 30 EFEDMM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824137241 1429709717 /nfs/dbraw/zinc/70/97/17/1429709717.db2.gz ZCQNODGSVITNFZ-PLNGDYQASA-N -1 1 328.401 2.845 20 30 EFEDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1F ZINC000821309516 1424264087 /nfs/dbraw/zinc/26/40/87/1424264087.db2.gz OOSHYZDSVGJVOW-UHFFFAOYSA-N -1 1 337.362 2.921 20 30 EFEDMM N#Cc1c(Cl)nsc1N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826382964 1424599579 /nfs/dbraw/zinc/59/95/79/1424599579.db2.gz CSNAKWGOUCOYTL-UHFFFAOYSA-N -1 1 329.776 2.542 20 30 EFEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000160089844 1424655874 /nfs/dbraw/zinc/65/58/74/1424655874.db2.gz ZYZBZLFOIRNWQP-UHFFFAOYSA-N -1 1 348.366 2.534 20 30 EFEDMM O=C(OCC#Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396971 1424826575 /nfs/dbraw/zinc/82/65/75/1424826575.db2.gz PUQXOLAELDBJQV-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM FC(F)(F)c1csc(N=NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822729105 1425202819 /nfs/dbraw/zinc/20/28/19/1425202819.db2.gz STBBPTALPZVLQV-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716922 1425263064 /nfs/dbraw/zinc/26/30/64/1425263064.db2.gz WZAGBQDBNMEHCP-INIZCTEOSA-N -1 1 344.378 2.797 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(CC#N)cc1 ZINC000825610040 1425321922 /nfs/dbraw/zinc/32/19/22/1425321922.db2.gz XDOAJFMNDFOXLW-UHFFFAOYSA-N -1 1 349.350 2.551 20 30 EFEDMM CC(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000824371622 1425335707 /nfs/dbraw/zinc/33/57/07/1425335707.db2.gz MAESRZXYPFFKND-ZZXKWVIFSA-N -1 1 326.335 2.679 20 30 EFEDMM CC(N=Nc1ncccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962096 1425629520 /nfs/dbraw/zinc/62/95/20/1425629520.db2.gz DZXLROJCBGBDJL-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM N#Cc1ccc(C2=CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000826384601 1425683010 /nfs/dbraw/zinc/68/30/10/1425683010.db2.gz BUHIZGLUGKMJTA-UHFFFAOYSA-N -1 1 332.367 2.621 20 30 EFEDMM N#Cc1ccc(C2=CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000826384601 1425683020 /nfs/dbraw/zinc/68/30/20/1425683020.db2.gz BUHIZGLUGKMJTA-UHFFFAOYSA-N -1 1 332.367 2.621 20 30 EFEDMM COc1ccc(C=NNc2ccc(F)cc2C)cc1-c1nnn[n-]1 ZINC000826191193 1425767731 /nfs/dbraw/zinc/76/77/31/1425767731.db2.gz ZQKCGJKSDGMZEH-UHFFFAOYSA-N -1 1 326.335 2.769 20 30 EFEDMM N#Cc1c(F)cccc1Oc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737705274 1425895861 /nfs/dbraw/zinc/89/58/61/1425895861.db2.gz NJZHVGWSZHWQEV-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM Cc1cc(C#N)cc(C)c1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737231670 1425962426 /nfs/dbraw/zinc/96/24/26/1425962426.db2.gz RVTVCQHWOZWKAJ-UHFFFAOYSA-N -1 1 335.367 2.813 20 30 EFEDMM COc1cc(C#N)ccc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826176850 1426017489 /nfs/dbraw/zinc/01/74/89/1426017489.db2.gz HHLDKVJSQDCWGA-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)n1 ZINC000826178254 1426069300 /nfs/dbraw/zinc/06/93/00/1426069300.db2.gz PZBQPEHESBXEGO-SNAWJCMRSA-N -1 1 341.396 2.845 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cnn(-c2ccccc2)c1 ZINC000826401610 1426119071 /nfs/dbraw/zinc/11/90/71/1426119071.db2.gz CKOOEBOBEBQCRY-KHPPLWFESA-N -1 1 342.362 2.949 20 30 EFEDMM Cc1ccc(C#N)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826281484 1426328649 /nfs/dbraw/zinc/32/86/49/1426328649.db2.gz UTMWFYDTOMTPTC-UHFFFAOYSA-N -1 1 343.394 2.736 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822837404 1426415846 /nfs/dbraw/zinc/41/58/46/1426415846.db2.gz NJIILIZDUDAHSF-VMPITWQZSA-N -1 1 349.325 2.634 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(F)ccc(F)c21 ZINC000826475988 1426484676 /nfs/dbraw/zinc/48/46/76/1426484676.db2.gz YBQJDRYDEZEFKS-ALCCZGGFSA-N -1 1 346.318 2.865 20 30 EFEDMM CC(CC1CCOCC1)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000820235887 1426502911 /nfs/dbraw/zinc/50/29/11/1426502911.db2.gz UVSTXFPXHLDVSG-UHFFFAOYSA-N -1 1 347.423 2.757 20 30 EFEDMM CCOc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000825649532 1426539203 /nfs/dbraw/zinc/53/92/03/1426539203.db2.gz RETLSDUOHZQXDF-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM CCOc1cccc(CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000825649532 1426539204 /nfs/dbraw/zinc/53/92/04/1426539204.db2.gz RETLSDUOHZQXDF-UHFFFAOYSA-N -1 1 343.778 2.760 20 30 EFEDMM C#CC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838382 1426605238 /nfs/dbraw/zinc/60/52/38/1426605238.db2.gz OZOKHIFZJXXMPC-OAHLLOKOSA-N -1 1 348.435 2.918 20 30 EFEDMM C=CCSCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000819759261 1426606464 /nfs/dbraw/zinc/60/64/64/1426606464.db2.gz RDFVAMZJZBLZQU-UHFFFAOYSA-N -1 1 346.847 2.821 20 30 EFEDMM FC(F)(F)c1cc(N=NCC2CCOCC2)ccc1-c1nnn[n-]1 ZINC000826368371 1426639659 /nfs/dbraw/zinc/63/96/59/1426639659.db2.gz MVKVUMMPGQAUJH-UHFFFAOYSA-N -1 1 340.309 2.710 20 30 EFEDMM C=CC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409895 1426783582 /nfs/dbraw/zinc/78/35/82/1426783582.db2.gz NYWFCGHUCIJNMT-KRWDZBQOSA-N -1 1 348.410 2.628 20 30 EFEDMM N#Cc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826384768 1426819530 /nfs/dbraw/zinc/81/95/30/1426819530.db2.gz JAEIIQSUCZEICY-UHFFFAOYSA-N -1 1 327.351 2.899 20 30 EFEDMM CCCCCCCC[C@H](C)CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC000913494792 1426832673 /nfs/dbraw/zinc/83/26/73/1426832673.db2.gz CTDUSWOSPXGPAC-GJZGRUSLSA-N -1 1 337.468 2.876 20 30 EFEDMM C#CCCCCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819693900 1426843245 /nfs/dbraw/zinc/84/32/45/1426843245.db2.gz YHJNYKRFZJQNNO-UHFFFAOYSA-N -1 1 340.431 2.592 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)COc2c(F)ccc(F)c21 ZINC000826475328 1426881561 /nfs/dbraw/zinc/88/15/61/1426881561.db2.gz CDJSKFIDTXYRLG-YRNVUSSQSA-N -1 1 340.289 2.804 20 30 EFEDMM C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873295 1426898389 /nfs/dbraw/zinc/89/83/89/1426898389.db2.gz KYITYHOQEKAPRH-IUODEOHRSA-N -1 1 330.388 2.842 20 30 EFEDMM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Cl)c(C#N)n1 ZINC000821702063 1426919292 /nfs/dbraw/zinc/91/92/92/1426919292.db2.gz GKCTZFJOIGKKIY-UHFFFAOYSA-N -1 1 328.719 2.588 20 30 EFEDMM C[C@@H](CSc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736057526 1427006116 /nfs/dbraw/zinc/00/61/16/1427006116.db2.gz WPHGHFLCPWXFFK-JTQLQIEISA-N -1 1 337.412 2.611 20 30 EFEDMM CCCCCCCCCC=CC(=O)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000913495083 1427147665 /nfs/dbraw/zinc/14/76/65/1427147665.db2.gz QRIVMMWTJPEOGE-AUECHBEKSA-N -1 1 335.452 2.797 20 30 EFEDMM Cc1cccc2c1OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826305487 1427147748 /nfs/dbraw/zinc/14/77/48/1427147748.db2.gz YIJYHAAKFBPCIY-GHXNOFRVSA-N -1 1 336.326 2.973 20 30 EFEDMM CCn1nc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1C ZINC000821566528 1427204076 /nfs/dbraw/zinc/20/40/76/1427204076.db2.gz ILBIAGHRKSCCIN-GXDHUFHOSA-N -1 1 348.410 2.912 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401187 1427221678 /nfs/dbraw/zinc/22/16/78/1427221678.db2.gz RPWIDXUESMZFHR-ZZXKWVIFSA-N -1 1 327.325 2.733 20 30 EFEDMM COc1ccc(C=NNCc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000821787322 1427253921 /nfs/dbraw/zinc/25/39/21/1427253921.db2.gz RHKAYODHRYKPMB-UHFFFAOYSA-N -1 1 342.790 2.652 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)COC2 ZINC000822922926 1427291544 /nfs/dbraw/zinc/29/15/44/1427291544.db2.gz LADSHQXBPCUBPD-AATRIKPKSA-N -1 1 336.326 2.932 20 30 EFEDMM C[C@H](C#N)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000824035056 1427427937 /nfs/dbraw/zinc/42/79/37/1427427937.db2.gz SITVPOLCEZJWME-SNVBAGLBSA-N -1 1 326.385 2.831 20 30 EFEDMM C=CC[C@H](C)NC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735410083 1427492980 /nfs/dbraw/zinc/49/29/80/1427492980.db2.gz SZRSZPVULYOMKL-ZDUSSCGKSA-N -1 1 328.420 2.753 20 30 EFEDMM C[C@H](C#N)Oc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824035203 1427549497 /nfs/dbraw/zinc/54/94/97/1427549497.db2.gz UDAQZCHQWFJWAG-LLVKDONJSA-N -1 1 338.346 2.909 20 30 EFEDMM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000826176814 1427754100 /nfs/dbraw/zinc/75/41/00/1427754100.db2.gz FRJUNDJGQSOEHV-UTCJRWHESA-N -1 1 330.344 2.972 20 30 EFEDMM C#CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823837985 1427755225 /nfs/dbraw/zinc/75/52/25/1427755225.db2.gz JZPMEFWSVULHOW-SWNWVQGVSA-N -1 1 343.390 2.761 20 30 EFEDMM CC[C@@H]1C[C@H](CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CCO1 ZINC000825184382 1427825216 /nfs/dbraw/zinc/82/52/16/1427825216.db2.gz SVWQUSHKUZNWCA-GHMZBOCLSA-N -1 1 333.396 2.581 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735503588 1427899709 /nfs/dbraw/zinc/89/97/09/1427899709.db2.gz JXVRXURPLJKXDT-NSHDSACASA-N -1 1 334.339 2.757 20 30 EFEDMM Fc1ccc(F)c2c1CCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826375412 1427911324 /nfs/dbraw/zinc/91/13/24/1427911324.db2.gz MJCKXQISNRKVKN-UHFFFAOYSA-N -1 1 340.337 2.585 20 30 EFEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819976584 1427949196 /nfs/dbraw/zinc/94/91/96/1427949196.db2.gz YFXKZKUIYJDVFC-UHFFFAOYSA-N -1 1 341.400 2.609 20 30 EFEDMM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1O ZINC000825615981 1427962260 /nfs/dbraw/zinc/96/22/60/1427962260.db2.gz RLVHIZLWHOJEJR-GQCTYLIASA-N -1 1 342.380 2.929 20 30 EFEDMM C=C(Cl)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819729041 1428011343 /nfs/dbraw/zinc/01/13/43/1428011343.db2.gz ASZXOYWVOGPNCP-UHFFFAOYSA-N -1 1 332.669 2.795 20 30 EFEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(F)cc(F)c2)o1 ZINC000824280216 1428121060 /nfs/dbraw/zinc/12/10/60/1428121060.db2.gz GYXAFHUCTXSPQH-UHFFFAOYSA-N -1 1 347.329 2.777 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)C(F)(F)F ZINC000819743788 1428153879 /nfs/dbraw/zinc/15/38/79/1428153879.db2.gz QAMXFTACBRQAQF-JTQLQIEISA-N -1 1 339.321 2.580 20 30 EFEDMM C=CCC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894372 1429862796 /nfs/dbraw/zinc/86/27/96/1429862796.db2.gz OKWQWHQVENQOJK-SWLSCSKDSA-N -1 1 342.399 2.922 20 30 EFEDMM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826217279 1429885124 /nfs/dbraw/zinc/88/51/24/1429885124.db2.gz GFKBVAGRTQDMIW-ZHACJKMWSA-N -1 1 336.351 2.780 20 30 EFEDMM C=CCCCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819739811 1429892263 /nfs/dbraw/zinc/89/22/63/1429892263.db2.gz IRUVJODZOLBODH-UHFFFAOYSA-N -1 1 339.359 2.726 20 30 EFEDMM COc1cccc2c1CC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826217858 1429906758 /nfs/dbraw/zinc/90/67/58/1429906758.db2.gz FRQUJYDRCFJFBK-YRNVUSSQSA-N -1 1 336.326 2.837 20 30 EFEDMM C=CCOCCCC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819750597 1429977666 /nfs/dbraw/zinc/97/76/66/1429977666.db2.gz GVELVQRMWNKQPD-UHFFFAOYSA-N -1 1 343.431 2.839 20 30 EFEDMM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823958298 1430064949 /nfs/dbraw/zinc/06/49/49/1430064949.db2.gz IAZJFPIFNLDJME-UHFFFAOYSA-N -1 1 343.372 2.981 20 30 EFEDMM COc1cc(C#N)ccc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826177058 1430068642 /nfs/dbraw/zinc/06/86/42/1430068642.db2.gz PXJQAVPZSWMNBN-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1-c1nn[n-]n1 ZINC000737718670 1430185795 /nfs/dbraw/zinc/18/57/95/1430185795.db2.gz LZOPFFXVEXBPOZ-UHFFFAOYSA-N -1 1 347.363 2.600 20 30 EFEDMM COc1ccc(O)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826210468 1430205588 /nfs/dbraw/zinc/20/55/88/1430205588.db2.gz SQQXGXPRWUVRKF-UTCJRWHESA-N -1 1 340.314 2.616 20 30 EFEDMM Cc1cc(Cl)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000822202256 1441530492 /nfs/dbraw/zinc/53/04/92/1441530492.db2.gz SJRSEJQBWCHWQF-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM COc1ccc(C=C2Oc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737085169 1441587309 /nfs/dbraw/zinc/58/73/09/1441587309.db2.gz ZALOHGMHHOVSTH-CHHVJCJISA-N -1 1 338.298 2.631 20 30 EFEDMM Cc1ccc(C#N)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822224932 1441640452 /nfs/dbraw/zinc/64/04/52/1441640452.db2.gz GINBMPHVKXPZJB-UHFFFAOYSA-N -1 1 334.383 2.928 20 30 EFEDMM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C#N)c2ccccc2n1 ZINC000736817487 1441653144 /nfs/dbraw/zinc/65/31/44/1441653144.db2.gz BAVNKFIJNLOFNG-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824000127 1441693342 /nfs/dbraw/zinc/69/33/42/1441693342.db2.gz VROMMSCGKNAWCH-SOFGYWHQSA-N -1 1 339.380 2.783 20 30 EFEDMM O=C(C=Cc1nccn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737807782 1441697564 /nfs/dbraw/zinc/69/75/64/1441697564.db2.gz MQHLCTBOHJECFR-WAYWQWQTSA-N -1 1 348.288 2.522 20 30 EFEDMM COCCC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000736976887 1441722416 /nfs/dbraw/zinc/72/24/16/1441722416.db2.gz RGTUDUSNMMZAQY-UHFFFAOYSA-N -1 1 340.362 2.859 20 30 EFEDMM C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613053 1442019249 /nfs/dbraw/zinc/01/92/49/1442019249.db2.gz RFTBTSDZPYUJPY-GFCCVEGCSA-N -1 1 336.374 2.923 20 30 EFEDMM C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613053 1442019251 /nfs/dbraw/zinc/01/92/51/1442019251.db2.gz RFTBTSDZPYUJPY-GFCCVEGCSA-N -1 1 336.374 2.923 20 30 EFEDMM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC ZINC000826214906 1442063167 /nfs/dbraw/zinc/06/31/67/1442063167.db2.gz ANTQIKCVKHRPDW-VOTSOKGWSA-N -1 1 342.380 2.842 20 30 EFEDMM FC(F)(F)c1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)nc1 ZINC000822729263 1442112558 /nfs/dbraw/zinc/11/25/58/1442112558.db2.gz YXLXGAIPUVMTBC-UHFFFAOYSA-N -1 1 339.306 2.788 20 30 EFEDMM CC(C)(C#N)CCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824058911 1442136249 /nfs/dbraw/zinc/13/62/49/1442136249.db2.gz IPYSRLRPIHXJDY-MRXNPFEDSA-N -1 1 340.431 2.570 20 30 EFEDMM C=CCN(CC=C)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735419740 1442141245 /nfs/dbraw/zinc/14/12/45/1442141245.db2.gz ZJTRNSWVCKCXOK-UHFFFAOYSA-N -1 1 334.836 2.891 20 30 EFEDMM N#Cc1nc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000822846228 1442304658 /nfs/dbraw/zinc/30/46/58/1442304658.db2.gz QMPAYUZLDGFBTE-UHFFFAOYSA-N -1 1 329.726 2.538 20 30 EFEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824086005 1442344595 /nfs/dbraw/zinc/34/45/95/1442344595.db2.gz IHYYXTKJDSGBFU-UHFFFAOYSA-N -1 1 346.822 2.922 20 30 EFEDMM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820322409 1442368154 /nfs/dbraw/zinc/36/81/54/1442368154.db2.gz SDFXSCRJBWAONL-XPSMFNQNSA-N -1 1 344.378 2.629 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826186826 1442369618 /nfs/dbraw/zinc/36/96/18/1442369618.db2.gz MCAHZKMHTGZFFZ-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826186826 1442369619 /nfs/dbraw/zinc/36/96/19/1442369619.db2.gz MCAHZKMHTGZFFZ-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](C#N)CCC#N ZINC000825609966 1443070985 /nfs/dbraw/zinc/07/09/85/1443070985.db2.gz VIHAZUDMGBJXDP-JTQLQIEISA-N -1 1 346.778 2.741 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(C)C ZINC000825576407 1443093272 /nfs/dbraw/zinc/09/32/72/1443093272.db2.gz FXSCECYHCWODSJ-SNVBAGLBSA-N -1 1 335.799 2.518 20 30 EFEDMM COc1ccc(NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826210420 1443107837 /nfs/dbraw/zinc/10/78/37/1443107837.db2.gz QURBDLZPHRGYEG-UHFFFAOYSA-N -1 1 326.335 2.851 20 30 EFEDMM N#CC1(c2ccc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cc2)CC1 ZINC000826379962 1443158993 /nfs/dbraw/zinc/15/89/93/1443158993.db2.gz IJKCNRNGMKZONZ-UHFFFAOYSA-N -1 1 348.341 2.813 20 30 EFEDMM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823963113 1443177131 /nfs/dbraw/zinc/17/71/31/1443177131.db2.gz VPFVXMQJDYNRGM-UHFFFAOYSA-N -1 1 343.372 2.981 20 30 EFEDMM CCOc1ccc(C=NCc2ccc(-c3nnn[n-]3)cc2F)c(O)c1 ZINC000736642988 1443265258 /nfs/dbraw/zinc/26/52/58/1443265258.db2.gz BEAGONYVIFKHMS-GRSHGNNSSA-N -1 1 341.346 2.729 20 30 EFEDMM N#Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826384913 1443286531 /nfs/dbraw/zinc/28/65/31/1443286531.db2.gz OXBRSTMUJBELTJ-UHFFFAOYSA-N -1 1 329.776 2.899 20 30 EFEDMM Cc1c(NN=Cc2cc(-c3nnn[n-]3)cs2)cccc1[N+](=O)[O-] ZINC000822123279 1443377636 /nfs/dbraw/zinc/37/76/36/1443377636.db2.gz YKYYLQLVHRPYRB-UHFFFAOYSA-N -1 1 329.345 2.591 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735561153 1443391951 /nfs/dbraw/zinc/39/19/51/1443391951.db2.gz WFCOWSDQTHRXOD-JTQLQIEISA-N -1 1 336.330 2.620 20 30 EFEDMM FC(F)(F)c1csc(N=NCc2ccc(-c3nnn[n-]3)s2)n1 ZINC000822728942 1443496952 /nfs/dbraw/zinc/49/69/52/1443496952.db2.gz NMTVNNMTWGBBAU-UHFFFAOYSA-N -1 1 345.335 2.850 20 30 EFEDMM COc1c(C)cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821698607 1443499813 /nfs/dbraw/zinc/49/98/13/1443499813.db2.gz QYFSJTRZPAVKDA-UHFFFAOYSA-N -1 1 336.399 2.616 20 30 EFEDMM CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736506226 1443519294 /nfs/dbraw/zinc/51/92/94/1443519294.db2.gz YUTFCLBIHOJJRE-UHFFFAOYSA-N -1 1 346.394 2.724 20 30 EFEDMM CCCC(C#N)(CCC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736417792 1443561001 /nfs/dbraw/zinc/56/10/01/1443561001.db2.gz WFKXBSFQYNGQEW-MDZDMXLPSA-N -1 1 338.415 2.859 20 30 EFEDMM CCn1c(C)cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1C ZINC000825782497 1443604686 /nfs/dbraw/zinc/60/46/86/1443604686.db2.gz FTFSWVGPFSDXPE-UHFFFAOYSA-N -1 1 344.810 2.799 20 30 EFEDMM C=CC[C@@H](C)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819729742 1443645192 /nfs/dbraw/zinc/64/51/92/1443645192.db2.gz LVTNNFWHJKBXIL-LLVKDONJSA-N -1 1 330.392 2.740 20 30 EFEDMM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000819783346 1443655370 /nfs/dbraw/zinc/65/53/70/1443655370.db2.gz VMVXNUDWCHMDNQ-UHFFFAOYSA-N -1 1 336.384 2.708 20 30 EFEDMM C#CCOc1cccc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735381345 1443700498 /nfs/dbraw/zinc/70/04/98/1443700498.db2.gz TWQQDLVUBCIIJO-CYBMUJFWSA-N -1 1 348.362 2.797 20 30 EFEDMM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1O ZINC000826177055 1443719998 /nfs/dbraw/zinc/71/99/98/1443719998.db2.gz PUHPKBAHUYJXPY-ZZXKWVIFSA-N -1 1 340.314 2.616 20 30 EFEDMM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(C(C)(C)C)n1 ZINC000826359959 1443756766 /nfs/dbraw/zinc/75/67/66/1443756766.db2.gz UEKYJBYZDBYZLS-HJWRWDBZSA-N -1 1 336.399 2.794 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)cnc12 ZINC000737437433 1443839184 /nfs/dbraw/zinc/83/91/84/1443839184.db2.gz YSTXJBQWHLQBRD-HJWRWDBZSA-N -1 1 330.351 2.719 20 30 EFEDMM Cc1nnc(SCc2cc(F)ccc2C#N)c(-c2nnn[n-]2)c1C ZINC000826337350 1443922985 /nfs/dbraw/zinc/92/29/85/1443922985.db2.gz LLBRMJBBEKZGIR-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM Cc1nnc(SCc2cc(C#N)ccc2F)c(-c2nnn[n-]2)c1C ZINC000826337189 1443971503 /nfs/dbraw/zinc/97/15/03/1443971503.db2.gz FVOMSXAATDZZDX-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000822801348 1444006032 /nfs/dbraw/zinc/00/60/32/1444006032.db2.gz HFEHQMISKPUULM-HZPDHXFCSA-N -1 1 331.383 2.538 20 30 EFEDMM C=C(C)[C@H](CO)Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000823874760 1446115266 /nfs/dbraw/zinc/11/52/66/1446115266.db2.gz YQFBAKMZUMPBNL-VIFPVBQESA-N -1 1 345.350 2.618 20 30 EFEDMM N#Cc1ccccc1OCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822842315 1446127355 /nfs/dbraw/zinc/12/73/55/1446127355.db2.gz BMNQVXIVBHBPKC-UHFFFAOYSA-N -1 1 341.758 2.850 20 30 EFEDMM CC(=O)c1ccc(C#N)cc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824019650 1446178152 /nfs/dbraw/zinc/17/81/52/1446178152.db2.gz JPHRLXGBMCWRCV-UHFFFAOYSA-N -1 1 332.367 2.577 20 30 EFEDMM CC(=NNc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823961869 1446243930 /nfs/dbraw/zinc/24/39/30/1446243930.db2.gz AUGMQLYWVUIXRQ-UHFFFAOYSA-N -1 1 336.334 2.718 20 30 EFEDMM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000822833502 1446284185 /nfs/dbraw/zinc/28/41/85/1446284185.db2.gz QRDWDIIOHYBJHO-UHFFFAOYSA-N -1 1 342.315 2.937 20 30 EFEDMM COc1ccc(C#N)cc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821769140 1446317368 /nfs/dbraw/zinc/31/73/68/1446317368.db2.gz DLJZHFDOXBINPJ-UHFFFAOYSA-N -1 1 341.758 2.979 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(F)cccc21 ZINC000823503763 1446420222 /nfs/dbraw/zinc/42/02/22/1446420222.db2.gz IPNQDJMFGMFKAO-SOFGYWHQSA-N -1 1 328.328 2.726 20 30 EFEDMM C=CCOc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819758748 1446448616 /nfs/dbraw/zinc/44/86/16/1446448616.db2.gz GUSUSRQMESAVLY-UHFFFAOYSA-N -1 1 340.299 2.527 20 30 EFEDMM C=C(C)[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873053 1446482024 /nfs/dbraw/zinc/48/20/24/1446482024.db2.gz GWTRJFIQFHIRGP-SWLSCSKDSA-N -1 1 330.388 2.842 20 30 EFEDMM N#C[C@@H](COC(=O)c1sccc1-c1nnn[n-]1)Cc1cccs1 ZINC000826379984 1446621975 /nfs/dbraw/zinc/62/19/75/1446621975.db2.gz JBRZDUQACYCLGM-VIFPVBQESA-N -1 1 345.409 2.529 20 30 EFEDMM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000823842192 1446742785 /nfs/dbraw/zinc/74/27/85/1446742785.db2.gz YUJJXPMISMQNOH-UHFFFAOYSA-N -1 1 328.420 2.945 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1F ZINC000823958869 1446796668 /nfs/dbraw/zinc/79/66/68/1446796668.db2.gz ZVZBZTCNKAPAGK-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1F ZINC000823958869 1446796672 /nfs/dbraw/zinc/79/66/72/1446796672.db2.gz ZVZBZTCNKAPAGK-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822832624 1446801365 /nfs/dbraw/zinc/80/13/65/1446801365.db2.gz DBUPLVAOJBBCKU-UHFFFAOYSA-N -1 1 342.309 2.952 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc2c1OCO2 ZINC000823915541 1446856451 /nfs/dbraw/zinc/85/64/51/1446856451.db2.gz ZQNWOOKCTCPQPS-UHFFFAOYSA-N -1 1 349.394 2.784 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826385014 1446861821 /nfs/dbraw/zinc/86/18/21/1446861821.db2.gz UBRBYSWZLZGKSH-GQCTYLIASA-N -1 1 325.328 2.835 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(N)cc1Cl ZINC000823958375 1446932872 /nfs/dbraw/zinc/93/28/72/1446932872.db2.gz LTJJBLUUSJWUNN-UHFFFAOYSA-N -1 1 327.779 2.938 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CCc3ccc(Cl)cc32)o1 ZINC000826323149 1446962711 /nfs/dbraw/zinc/96/27/11/1446962711.db2.gz SCZNYXRSMFKWGD-UHFFFAOYSA-N -1 1 329.751 2.579 20 30 EFEDMM FC(F)(F)c1cccnc1N=NCc1ccccc1-c1nnn[n-]1 ZINC000826369003 1447046650 /nfs/dbraw/zinc/04/66/50/1447046650.db2.gz JDSDEMGICMUZLD-UHFFFAOYSA-N -1 1 333.277 2.727 20 30 EFEDMM C=CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000823894263 1447070581 /nfs/dbraw/zinc/07/05/81/1447070581.db2.gz LPKOIWXKGBMYSK-STQMWFEESA-N -1 1 330.388 2.922 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823893972 1447194020 /nfs/dbraw/zinc/19/40/20/1447194020.db2.gz CSTLEZMKMMMOAD-ZDUSSCGKSA-N -1 1 343.431 2.885 20 30 EFEDMM Cc1c(NC(=O)C=Cc2ccccc2C#N)cccc1-c1nnn[n-]1 ZINC000822068929 1447219091 /nfs/dbraw/zinc/21/90/91/1447219091.db2.gz WMODSUFBTRINKY-MDZDMXLPSA-N -1 1 330.351 2.699 20 30 EFEDMM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400937 1449154566 /nfs/dbraw/zinc/15/45/66/1449154566.db2.gz LJSVMXMPERPKMP-FNORWQNLSA-N -1 1 338.298 2.631 20 30 EFEDMM C=CCSCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735443063 1449274585 /nfs/dbraw/zinc/27/45/85/1449274585.db2.gz ODHKOXGIGNDWQQ-UHFFFAOYSA-N -1 1 330.339 2.612 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC000819772733 1449303008 /nfs/dbraw/zinc/30/30/08/1449303008.db2.gz KPPJKHBZHRUYMN-UHFFFAOYSA-N -1 1 328.326 2.659 20 30 EFEDMM C=CCN(Cc1nc(C)cs1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745925 1449307183 /nfs/dbraw/zinc/30/71/83/1449307183.db2.gz VDQDOIMCQUJWJA-UHFFFAOYSA-N -1 1 326.429 2.820 20 30 EFEDMM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000822825400 1449315657 /nfs/dbraw/zinc/31/56/57/1449315657.db2.gz DILGWNVTUHUAEZ-UHFFFAOYSA-N -1 1 327.351 2.899 20 30 EFEDMM FC(F)Oc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822737524 1449474249 /nfs/dbraw/zinc/47/42/49/1449474249.db2.gz YRQIKHPTPOGNCQ-UHFFFAOYSA-N -1 1 344.325 2.592 20 30 EFEDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1OC ZINC000825480723 1449582309 /nfs/dbraw/zinc/58/23/09/1449582309.db2.gz HWPBCRJDGVALCR-UHFFFAOYSA-N -1 1 349.398 2.791 20 30 EFEDMM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000822177131 1449602603 /nfs/dbraw/zinc/60/26/03/1449602603.db2.gz USCAWIOGXYTPPB-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM Cc1cc(O)c(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1C ZINC000737278022 1449606558 /nfs/dbraw/zinc/60/65/58/1449606558.db2.gz DLTGTPHMGBDGMI-UHFFFAOYSA-N -1 1 341.375 2.747 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821769432 1449655467 /nfs/dbraw/zinc/65/54/67/1449655467.db2.gz HLUNLGUMUROUNR-XQRVVYSFSA-N -1 1 342.380 2.842 20 30 EFEDMM CC(C)CN(CCCSCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820086779 1449689688 /nfs/dbraw/zinc/68/96/88/1449689688.db2.gz FJOFHJRYXBYZLQ-UHFFFAOYSA-N -1 1 330.461 2.976 20 30 EFEDMM COc1ccc([C@H](C)C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826188277 1449706879 /nfs/dbraw/zinc/70/68/79/1449706879.db2.gz SADPHOUHYMLNAI-CYBMUJFWSA-N -1 1 336.399 2.754 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc2[nH]cccc1-2 ZINC000826400647 1449758292 /nfs/dbraw/zinc/75/82/92/1449758292.db2.gz DLYSRMPUXLQKJW-XQRVVYSFSA-N -1 1 334.314 2.778 20 30 EFEDMM N#CCCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826381392 1449789766 /nfs/dbraw/zinc/78/97/66/1449789766.db2.gz KAICHLWCDPFQCH-UHFFFAOYSA-N -1 1 332.367 2.567 20 30 EFEDMM CC1(C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H]2CCCO[C@@H]21 ZINC000824784705 1449814818 /nfs/dbraw/zinc/81/48/18/1449814818.db2.gz ZOKSCVPQMGLAGC-RNCFNFMXSA-N -1 1 347.810 2.518 20 30 EFEDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400611 1449859669 /nfs/dbraw/zinc/85/96/69/1449859669.db2.gz CFSXUJJIQNJJFK-QPJJXVBHSA-N -1 1 339.286 2.810 20 30 EFEDMM N#CCCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737686839 1449867110 /nfs/dbraw/zinc/86/71/10/1449867110.db2.gz DZBXKOPMLOKGNF-UHFFFAOYSA-N -1 1 335.824 2.500 20 30 EFEDMM CC(C)Oc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820155745 1449896281 /nfs/dbraw/zinc/89/62/81/1449896281.db2.gz WBNOIAMDOHPXHE-UHFFFAOYSA-N -1 1 336.399 2.778 20 30 EFEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)OCO2 ZINC000822921982 1449961125 /nfs/dbraw/zinc/96/11/25/1449961125.db2.gz BMGUEGCXLNMBKU-IHWYPQMZSA-N -1 1 326.337 2.553 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826384107 1450055543 /nfs/dbraw/zinc/05/55/43/1450055543.db2.gz HCJLXAUBCZFPBP-HYXAFXHYSA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1cc(F)ccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737705832 1450201568 /nfs/dbraw/zinc/20/15/68/1450201568.db2.gz RGYPBZXWQULCQH-VURMDHGXSA-N -1 1 349.325 2.634 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CC)CCC1 ZINC000819743840 1450369642 /nfs/dbraw/zinc/36/96/42/1450369642.db2.gz QWPNTXLUPDRFFQ-UHFFFAOYSA-N -1 1 325.416 2.962 20 30 EFEDMM COc1ccc(O)c(C=Nc2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC000821839285 1450421691 /nfs/dbraw/zinc/42/16/91/1450421691.db2.gz SXTUDMXGLJGPBK-UHFFFAOYSA-N -1 1 329.747 2.985 20 30 EFEDMM O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402858 1450434279 /nfs/dbraw/zinc/43/42/79/1450434279.db2.gz DMOZZYSNPBYNKT-ALCCZGGFSA-N -1 1 334.314 2.550 20 30 EFEDMM O=C(OCC#Cc1ccccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000826462720 1450434405 /nfs/dbraw/zinc/43/44/05/1450434405.db2.gz GQPQIPUVQAQFHT-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736392266 1450447295 /nfs/dbraw/zinc/44/72/95/1450447295.db2.gz PZXBUFWAXNFECJ-CYBMUJFWSA-N -1 1 337.412 2.959 20 30 EFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000160193968 712920416 /nfs/dbraw/zinc/92/04/16/712920416.db2.gz BVYBBLWAOOXZNV-LBPRGKRZSA-N -1 1 329.381 2.675 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OC(F)(F)F)c2)c(=O)o1 ZINC000254985863 713206940 /nfs/dbraw/zinc/20/69/40/713206940.db2.gz DTZXDBBHUPCCEM-GXMNPTEKSA-N -1 1 340.253 2.813 20 30 EFEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)co2)cc1 ZINC000255174243 714062569 /nfs/dbraw/zinc/06/25/69/714062569.db2.gz VKKMAUNBMXWGEM-QWPQOLDESA-N -1 1 337.331 2.878 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)c(C)c2)c(=O)o1 ZINC000255377505 714875217 /nfs/dbraw/zinc/87/52/17/714875217.db2.gz DIZRHGQAXXXNND-ZDTYVGOBSA-N -1 1 349.180 2.986 20 30 EFEDMM CN1CCN(c2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000255436170 715207885 /nfs/dbraw/zinc/20/78/85/715207885.db2.gz XACHJEQQEROPLK-UHFFFAOYSA-N -1 1 340.383 2.803 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2C)c(=O)o1 ZINC000255464325 715253763 /nfs/dbraw/zinc/25/37/63/715253763.db2.gz UALCIOBKCWSNIS-ZDTYVGOBSA-N -1 1 349.180 2.986 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000026537057 715438008 /nfs/dbraw/zinc/43/80/08/715438008.db2.gz DDHJPTQVVXGFTE-UHFFFAOYSA-N -1 1 331.393 2.794 20 30 EFEDMM C=C[C@](C)(CC)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000975907082 716040433 /nfs/dbraw/zinc/04/04/33/716040433.db2.gz PISYZKUONLPRMZ-IFXJQAMLSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1cc(C#N)ccc1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000893913493 720157676 /nfs/dbraw/zinc/15/76/76/720157676.db2.gz OROXZXVDYNAPCC-CYBMUJFWSA-N -1 1 325.334 2.762 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000022475081 724745826 /nfs/dbraw/zinc/74/58/26/724745826.db2.gz KXKJJUHLPHASNX-UHFFFAOYSA-N -1 1 340.404 2.596 20 30 EFEDMM CCCOc1cccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000917548219 728754418 /nfs/dbraw/zinc/75/44/18/728754418.db2.gz LZMVORUAKGCJLQ-UHFFFAOYSA-N -1 1 343.408 2.548 20 30 EFEDMM O=C1[C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCCN1O ZINC000895159065 723487400 /nfs/dbraw/zinc/48/74/00/723487400.db2.gz RKHHCJXTCFPANO-ZDUSSCGKSA-N -1 1 337.832 2.933 20 30 EFEDMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000728016985 723563752 /nfs/dbraw/zinc/56/37/52/723563752.db2.gz CSDLDBFJPFTVPP-UHFFFAOYSA-N -1 1 327.409 2.741 20 30 EFEDMM C=C1CCC(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000895623714 724229853 /nfs/dbraw/zinc/22/98/53/724229853.db2.gz UGIYNJCBMFDOSS-UHFFFAOYSA-N -1 1 338.429 2.752 20 30 EFEDMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)N(C)CCC#N ZINC000730358886 725814856 /nfs/dbraw/zinc/81/48/56/725814856.db2.gz DFHVXNLVKNOQKW-QMMMGPOBSA-N -1 1 345.182 2.616 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(Cl)ccc1Cl ZINC000731155648 726813280 /nfs/dbraw/zinc/81/32/80/726813280.db2.gz NTQFZDXUYHHRAY-UHFFFAOYSA-N -1 1 337.170 2.575 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000915047548 726849051 /nfs/dbraw/zinc/84/90/51/726849051.db2.gz XPPUXTCWULBXMH-UHFFFAOYSA-N -1 1 340.387 2.611 20 30 EFEDMM C=CCN1CC[C@H](OC(=O)c2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000909861474 727392506 /nfs/dbraw/zinc/39/25/06/727392506.db2.gz YZGBJTHQKFUPRO-NSHDSACASA-N -1 1 330.167 2.643 20 30 EFEDMM C[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1noc(C(F)(F)F)n1 ZINC000910747002 727461251 /nfs/dbraw/zinc/46/12/51/727461251.db2.gz QCOVJRLDDUQQQW-VKHMYHEASA-N -1 1 341.158 2.853 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000915931354 727641483 /nfs/dbraw/zinc/64/14/83/727641483.db2.gz BSNVPQBJOYPYFB-UHFFFAOYSA-N -1 1 328.763 2.776 20 30 EFEDMM CC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccc(CC(=O)[O-])cc1 ZINC000915960876 727645376 /nfs/dbraw/zinc/64/53/76/727645376.db2.gz UVFWIJBZUVSHLH-UHFFFAOYSA-N -1 1 346.408 2.553 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1[O-] ZINC000912097176 727649789 /nfs/dbraw/zinc/64/97/89/727649789.db2.gz DFFGLGOKKCCHEL-HKUYNNGSSA-N -1 1 336.391 2.992 20 30 EFEDMM CC(C)CCNC(=S)NN=Cc1ccc([O-])c(Br)c1 ZINC000916352242 727678669 /nfs/dbraw/zinc/67/86/69/727678669.db2.gz KGVDEHIHXCAWKG-UHFFFAOYSA-N -1 1 344.278 2.999 20 30 EFEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)OCC#N)c1 ZINC000916594860 727699904 /nfs/dbraw/zinc/69/99/04/727699904.db2.gz QLVFQMKMKBSIMU-UHFFFAOYSA-N -1 1 348.355 2.615 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)c1 ZINC000157593625 728165021 /nfs/dbraw/zinc/16/50/21/728165021.db2.gz VYYNFZHIESZUCM-UHFFFAOYSA-N -1 1 329.377 2.564 20 30 EFEDMM C#CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000172944594 728611300 /nfs/dbraw/zinc/61/13/00/728611300.db2.gz VEDNEGBRYUDVEC-UHFFFAOYSA-N -1 1 342.420 2.631 20 30 EFEDMM C#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000174416958 728664253 /nfs/dbraw/zinc/66/42/53/728664253.db2.gz AQHOANBZYQCCPB-ZDUSSCGKSA-N -1 1 329.377 2.666 20 30 EFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000919962689 729117672 /nfs/dbraw/zinc/11/76/72/729117672.db2.gz HWEKAIHVWQIGIU-UHFFFAOYSA-N -1 1 345.376 2.723 20 30 EFEDMM CCCOc1ccc2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CCO2 ZINC000920359290 729175811 /nfs/dbraw/zinc/17/58/11/729175811.db2.gz KDMUZTPJYUVBIM-UHFFFAOYSA-N -1 1 328.372 2.878 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-c3nn[nH]n3)c2)n1 ZINC000820197185 945372852 /nfs/dbraw/zinc/37/28/52/945372852.db2.gz HBGHVCXODZIHMJ-GFCCVEGCSA-N -1 1 338.396 2.937 20 30 EFEDMM C=C(C)c1cccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c1 ZINC001573296199 947044098 /nfs/dbraw/zinc/04/40/98/947044098.db2.gz ZTZMIVHBJOFOIH-UHFFFAOYSA-N -1 1 336.355 2.561 20 30 EFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC001602782241 971528804 /nfs/dbraw/zinc/52/88/04/971528804.db2.gz RAUNGSORNWOGED-SFHVURJKSA-N -1 1 349.350 2.568 20 30 EFEDMM N#CC(C(=O)[C@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600724 956124528 /nfs/dbraw/zinc/12/45/28/956124528.db2.gz DQOQOGSJQAVHER-JOYOIKCWSA-N -1 1 333.294 2.718 20 30 EFEDMM C=C(C)CN(CCOc1ccccc1C(=O)[O-])Cc1ccc(CO)o1 ZINC001588439748 958323128 /nfs/dbraw/zinc/32/31/28/958323128.db2.gz GFKWXJGLCLCEAT-UHFFFAOYSA-N -1 1 345.395 2.927 20 30 EFEDMM CC(C)[C@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-] ZINC001588543696 958983565 /nfs/dbraw/zinc/98/35/65/958983565.db2.gz QKFDZTSXFXPVOT-LRDDRELGSA-N -1 1 349.456 2.576 20 30 EFEDMM C=CCCOCCNCc1ccc(C(=O)[O-])cc1Br ZINC000231823207 960207909 /nfs/dbraw/zinc/20/79/09/960207909.db2.gz QOGTUSDJAMCPHZ-UHFFFAOYSA-N -1 1 328.206 2.830 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001573332146 962826019 /nfs/dbraw/zinc/82/60/19/962826019.db2.gz JIDWXYOIPOCFGO-GOSISDBHSA-N -1 1 344.455 2.776 20 30 EFEDMM C[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[C@@H]1C(=O)[O-] ZINC001603460767 973294482 /nfs/dbraw/zinc/29/44/82/973294482.db2.gz JOGBARQWXVYWPM-GWCFXTLKSA-N -1 1 337.217 2.863 20 30 EFEDMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001603609301 973873862 /nfs/dbraw/zinc/87/38/62/973873862.db2.gz HDOJJZDMHMBHIZ-QGZVFWFLSA-N -1 1 349.818 2.727 20 30 EFEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC000782177965 978791805 /nfs/dbraw/zinc/79/18/05/978791805.db2.gz XKGCDZZRDPAUEF-UHFFFAOYSA-N -1 1 338.367 2.751 20 30 EFEDMM CC[C@](C)(C(=O)[O-])N(CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC001594778176 981773692 /nfs/dbraw/zinc/77/36/92/981773692.db2.gz JQLQUWXKLISEOX-GOSISDBHSA-N -1 1 347.415 2.672 20 30 EFEDMM C#CCC1(O)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC001588431020 983464092 /nfs/dbraw/zinc/46/40/92/983464092.db2.gz FFLGTKJVNMKZSS-AWEZNQCLSA-N -1 1 342.222 2.969 20 30 EFEDMM C#CCC1(O)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001588431842 983466069 /nfs/dbraw/zinc/46/60/69/983466069.db2.gz OPINIBUPLIZIPP-CQSZACIVSA-N -1 1 342.222 2.969 20 30 EFEDMM C#CC[C@H]1CCCN(Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001588434875 983472724 /nfs/dbraw/zinc/47/27/24/983472724.db2.gz WSPZCEBWGGARQZ-JTQLQIEISA-N -1 1 326.190 2.976 20 30 EFEDMM C=C(CC)C(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1 ZINC001588605347 983692187 /nfs/dbraw/zinc/69/21/87/983692187.db2.gz AKQZDIZWTHLNSL-UHFFFAOYSA-N -1 1 338.161 2.928 20 30 EFEDMM C=CC[C@H](C(=O)[O-])N1CCOc2cccc(Br)c2C1 ZINC001588731015 984004007 /nfs/dbraw/zinc/00/40/07/984004007.db2.gz BNXUWHINAVAOID-GFCCVEGCSA-N -1 1 326.190 2.673 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001588879707 984458492 /nfs/dbraw/zinc/45/84/92/984458492.db2.gz KFJCIWFFFVQZLW-AWEZNQCLSA-N -1 1 348.468 2.586 20 30 EFEDMM C=CCSc1ccccc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001588879707 984458493 /nfs/dbraw/zinc/45/84/93/984458493.db2.gz KFJCIWFFFVQZLW-AWEZNQCLSA-N -1 1 348.468 2.586 20 30 EFEDMM CC(=O)Nc1cccc2c1CN([C@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001589216303 985715848 /nfs/dbraw/zinc/71/58/48/985715848.db2.gz XALBGUFGYSTSPN-IBGZPJMESA-N -1 1 349.390 2.701 20 30 EFEDMM CCc1oc(C(=O)[O-])cc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC001597761650 989191271 /nfs/dbraw/zinc/19/12/71/989191271.db2.gz PMCSHNVJTWDREG-HNNXBMFYSA-N -1 1 328.368 2.577 20 30 EFEDMM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)C[C@H](O)c1cccc(C#N)c1 ZINC001598504355 992480435 /nfs/dbraw/zinc/48/04/35/992480435.db2.gz GJCACHJIEZVPPL-KRWDZBQOSA-N -1 1 339.395 2.627 20 30 EFEDMM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1Cc1ccccc1 ZINC001598618911 993957714 /nfs/dbraw/zinc/95/77/14/993957714.db2.gz ANVNOXFRRUIKOR-GOSISDBHSA-N -1 1 349.434 2.615 20 30 EFEDMM C[C@H](Oc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1F)C(=O)[O-] ZINC001593633832 995924453 /nfs/dbraw/zinc/92/44/53/995924453.db2.gz KAADYOYJDRUDDP-VIFPVBQESA-N -1 1 344.298 2.507 20 30 EFEDMM COc1ccc([C@H](NCc2cncc(C#N)c2)C(=O)[O-])cc1Cl ZINC001599532771 997687709 /nfs/dbraw/zinc/68/77/09/997687709.db2.gz WAYNEKBLCYCLGM-HNNXBMFYSA-N -1 1 331.759 2.531 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599476517 998541634 /nfs/dbraw/zinc/54/16/34/998541634.db2.gz CZOBCILQVIDXDO-QGZVFWFLSA-N -1 1 328.343 2.930 20 30 EFEDMM Cn1ccnc1C(C#N)=C([O-])c1sc(N2CCCC2)nc1Cl ZINC001646842772 1088355724 /nfs/dbraw/zinc/35/57/24/1088355724.db2.gz OIMGYHBLIZJERB-SECBINFHSA-N -1 1 335.820 2.620 20 30 EFEDMM CCC(C)(C)c1ccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001576545566 1089321919 /nfs/dbraw/zinc/32/19/19/1089321919.db2.gz JXQJKBYAIOQCGZ-UHFFFAOYSA-N -1 1 348.414 2.828 20 30 EFEDMM CCC(C)(C)c1ccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001576545566 1089321931 /nfs/dbraw/zinc/32/19/31/1089321931.db2.gz JXQJKBYAIOQCGZ-UHFFFAOYSA-N -1 1 348.414 2.828 20 30 EFEDMM CC[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cc(C)ccc1C ZINC001577000024 1089573450 /nfs/dbraw/zinc/57/34/50/1089573450.db2.gz ZXWGQJPVJUYQQO-ZDUSSCGKSA-N -1 1 334.387 2.708 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])cc1 ZINC001581874205 1091328614 /nfs/dbraw/zinc/32/86/14/1091328614.db2.gz IELRFZGESCZWJO-UHFFFAOYSA-N -1 1 330.354 2.859 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])cc1 ZINC001581874205 1091328620 /nfs/dbraw/zinc/32/86/20/1091328620.db2.gz IELRFZGESCZWJO-UHFFFAOYSA-N -1 1 330.354 2.859 20 30 EFEDMM N#Cc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(C2CC2)c1 ZINC001581873258 1091329267 /nfs/dbraw/zinc/32/92/67/1091329267.db2.gz VGGUWAHPLGBTAP-UHFFFAOYSA-N -1 1 336.380 2.930 20 30 EFEDMM N#Cc1cccc(Oc2ccc(NC(=O)CCCc3nn[n-]n3)cc2)c1 ZINC001585693764 1092547213 /nfs/dbraw/zinc/54/72/13/1092547213.db2.gz QAALAFRQZZHBAT-UHFFFAOYSA-N -1 1 348.366 2.825 20 30 EFEDMM C#C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001588328331 1092926506 /nfs/dbraw/zinc/92/65/06/1092926506.db2.gz DURFORQBOFVVAJ-AWEZNQCLSA-N -1 1 338.302 2.700 20 30 EFEDMM C#C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001588328332 1092926910 /nfs/dbraw/zinc/92/69/10/1092926910.db2.gz DURFORQBOFVVAJ-CQSZACIVSA-N -1 1 338.302 2.700 20 30 EFEDMM C#CC[C@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001588335397 1092928381 /nfs/dbraw/zinc/92/83/81/1092928381.db2.gz LPNMFPKGGYZUCB-JTQLQIEISA-N -1 1 336.321 2.520 20 30 EFEDMM C#CC[C@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001588335397 1092928388 /nfs/dbraw/zinc/92/83/88/1092928388.db2.gz LPNMFPKGGYZUCB-JTQLQIEISA-N -1 1 336.321 2.520 20 30 EFEDMM C#CCC1(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001588334657 1092928975 /nfs/dbraw/zinc/92/89/75/1092928975.db2.gz FIXPGBGODURCSE-UHFFFAOYSA-N -1 1 345.353 2.601 20 30 EFEDMM C#CCC1(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001588334657 1092928986 /nfs/dbraw/zinc/92/89/86/1092928986.db2.gz FIXPGBGODURCSE-UHFFFAOYSA-N -1 1 345.353 2.601 20 30 EFEDMM C#CCC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588337279 1092930003 /nfs/dbraw/zinc/93/00/03/1092930003.db2.gz MKESOSPJGWNELT-LLVKDONJSA-N -1 1 339.355 2.518 20 30 EFEDMM C#CCC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588337279 1092930011 /nfs/dbraw/zinc/93/00/11/1092930011.db2.gz MKESOSPJGWNELT-LLVKDONJSA-N -1 1 339.355 2.518 20 30 EFEDMM C#CCCCCCCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001588345517 1092933237 /nfs/dbraw/zinc/93/32/37/1092933237.db2.gz CWJZFDGZYYSQAL-UHFFFAOYSA-N -1 1 327.413 2.827 20 30 EFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(CC)CCC ZINC001588437738 1092945297 /nfs/dbraw/zinc/94/52/97/1092945297.db2.gz IGJZYOKRYCTHCU-UHFFFAOYSA-N -1 1 342.407 2.531 20 30 EFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(CC)CCC ZINC001588437738 1092945306 /nfs/dbraw/zinc/94/53/06/1092945306.db2.gz IGJZYOKRYCTHCU-UHFFFAOYSA-N -1 1 342.407 2.531 20 30 EFEDMM C=C(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(CC)C(C)C ZINC001588438152 1092946849 /nfs/dbraw/zinc/94/68/49/1092946849.db2.gz MSDXUSJNMZIEPR-UHFFFAOYSA-N -1 1 342.407 2.529 20 30 EFEDMM C=C(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(CC)C(C)C ZINC001588438152 1092946854 /nfs/dbraw/zinc/94/68/54/1092946854.db2.gz MSDXUSJNMZIEPR-UHFFFAOYSA-N -1 1 342.407 2.529 20 30 EFEDMM C=CCC(C)(C)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588539415 1092954187 /nfs/dbraw/zinc/95/41/87/1092954187.db2.gz KFPRXUHMIVEYGR-UHFFFAOYSA-N -1 1 341.828 2.700 20 30 EFEDMM C=CCCCCCCNC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588593287 1092964385 /nfs/dbraw/zinc/96/43/85/1092964385.db2.gz APTMDFFPOFJCKI-UHFFFAOYSA-N -1 1 335.437 2.890 20 30 EFEDMM C=CCCCCCCNC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588593287 1092964393 /nfs/dbraw/zinc/96/43/93/1092964393.db2.gz APTMDFFPOFJCKI-UHFFFAOYSA-N -1 1 335.437 2.890 20 30 EFEDMM C=CCCCCCCCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588593684 1092964980 /nfs/dbraw/zinc/96/49/80/1092964980.db2.gz GQSVWUJWKJAKGB-UHFFFAOYSA-N -1 1 329.408 2.910 20 30 EFEDMM C=CCCCCCCCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588593684 1092964987 /nfs/dbraw/zinc/96/49/87/1092964987.db2.gz GQSVWUJWKJAKGB-UHFFFAOYSA-N -1 1 329.408 2.910 20 30 EFEDMM C=CCCCCCn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001588596388 1092967519 /nfs/dbraw/zinc/96/75/19/1092967519.db2.gz PHTMDKPWPBCZTD-UHFFFAOYSA-N -1 1 338.209 2.537 20 30 EFEDMM C=CCCSCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001588620655 1092969128 /nfs/dbraw/zinc/96/91/28/1092969128.db2.gz AQZXEJAKRQURDD-UHFFFAOYSA-N -1 1 326.407 2.558 20 30 EFEDMM C=CCCSCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001588620655 1092969132 /nfs/dbraw/zinc/96/91/32/1092969132.db2.gz AQZXEJAKRQURDD-UHFFFAOYSA-N -1 1 326.407 2.558 20 30 EFEDMM C=CCCSCCNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588620657 1092969545 /nfs/dbraw/zinc/96/95/45/1092969545.db2.gz ATXUGMDEKWAAHE-UHFFFAOYSA-N -1 1 334.405 2.805 20 30 EFEDMM C=CCCSCCNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588620657 1092969557 /nfs/dbraw/zinc/96/95/57/1092969557.db2.gz ATXUGMDEKWAAHE-UHFFFAOYSA-N -1 1 334.405 2.805 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001588631378 1092972009 /nfs/dbraw/zinc/97/20/09/1092972009.db2.gz BYEKOZVUXPQICM-LLVKDONJSA-N -1 1 347.419 2.687 20 30 EFEDMM C=CCOc1ccc(COC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001588689413 1092980550 /nfs/dbraw/zinc/98/05/50/1092980550.db2.gz GXJREMQFWMGQNK-UHFFFAOYSA-N -1 1 342.380 2.850 20 30 EFEDMM C=CCOc1ccc(COC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001588689413 1092980559 /nfs/dbraw/zinc/98/05/59/1092980559.db2.gz GXJREMQFWMGQNK-UHFFFAOYSA-N -1 1 342.380 2.850 20 30 EFEDMM CC(C)c1nc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)co1 ZINC001588781122 1092991223 /nfs/dbraw/zinc/99/12/23/1092991223.db2.gz FZHCYLNBVPTDMW-UHFFFAOYSA-N -1 1 344.379 2.926 20 30 EFEDMM Cc1cncc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC001588781216 1092993439 /nfs/dbraw/zinc/99/34/39/1092993439.db2.gz MVXPUMUHHAOIHT-UHFFFAOYSA-N -1 1 326.364 2.518 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2c(O)cccc2F)o1 ZINC001588781184 1092993542 /nfs/dbraw/zinc/99/35/42/1092993542.db2.gz KGUVDGYNYUWCBN-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM CC(C)[C@@H]1CCC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001589507368 1093097289 /nfs/dbraw/zinc/09/72/89/1093097289.db2.gz JDLXGWGGSZAGMP-NEPJUHHUSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001589508336 1093100226 /nfs/dbraw/zinc/10/02/26/1093100226.db2.gz ZIMKTACLFAUAEI-RYUDHWBXSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001589508336 1093100234 /nfs/dbraw/zinc/10/02/34/1093100234.db2.gz ZIMKTACLFAUAEI-RYUDHWBXSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CC1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCCC1 ZINC001589573190 1093108716 /nfs/dbraw/zinc/10/87/16/1093108716.db2.gz UGKSWWIRRUZEAA-UHFFFAOYSA-N -1 1 326.408 2.547 20 30 EFEDMM CC(C)CC1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CCCC1 ZINC001589573190 1093108720 /nfs/dbraw/zinc/10/87/20/1093108720.db2.gz UGKSWWIRRUZEAA-UHFFFAOYSA-N -1 1 326.408 2.547 20 30 EFEDMM CC(C)CCN(CCC#N)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589600363 1093113554 /nfs/dbraw/zinc/11/35/54/1093113554.db2.gz DECHHWRVNPHNGE-UHFFFAOYSA-N -1 1 348.357 2.547 20 30 EFEDMM CC(C)CCN(CCC#N)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589600363 1093113558 /nfs/dbraw/zinc/11/35/58/1093113558.db2.gz DECHHWRVNPHNGE-UHFFFAOYSA-N -1 1 348.357 2.547 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC=CCc2ccco2)o1 ZINC001589664694 1093122537 /nfs/dbraw/zinc/12/25/37/1093122537.db2.gz VKRPQPMJVMRWGI-LEGCWVATSA-N -1 1 327.348 2.757 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC(F)(F)C(F)(F)F)o1 ZINC001589774036 1093142682 /nfs/dbraw/zinc/14/26/82/1093142682.db2.gz RMMYSRFSOLHAIV-UHFFFAOYSA-N -1 1 339.228 2.573 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCC(F)(F)C2)o1 ZINC001589774109 1093142936 /nfs/dbraw/zinc/14/29/36/1093142936.db2.gz SFGURKWGPXKKEA-QMMMGPOBSA-N -1 1 325.323 2.811 20 30 EFEDMM CC(CC(F)(F)F)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001589798580 1093152676 /nfs/dbraw/zinc/15/26/76/1093152676.db2.gz ISDUFEDERPOQTF-UHFFFAOYSA-N -1 1 331.302 2.892 20 30 EFEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cccc(C2CC2)c1 ZINC001589986838 1093211926 /nfs/dbraw/zinc/21/19/26/1093211926.db2.gz VBPBODGKDJGJGV-JTQLQIEISA-N -1 1 332.371 2.579 20 30 EFEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cccc(C2CC2)c1 ZINC001589986838 1093211930 /nfs/dbraw/zinc/21/19/30/1093211930.db2.gz VBPBODGKDJGJGV-JTQLQIEISA-N -1 1 332.371 2.579 20 30 EFEDMM CC1(C)CC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001590083999 1093256928 /nfs/dbraw/zinc/25/69/28/1093256928.db2.gz RJMFVFQAZXKAPG-UHFFFAOYSA-N -1 1 326.408 2.545 20 30 EFEDMM COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C#N)ccc1C)c2=O ZINC001650852868 1093499547 /nfs/dbraw/zinc/49/95/47/1093499547.db2.gz ZFHPXCKWZOHJRO-UHFFFAOYSA-N -1 1 333.347 2.969 20 30 EFEDMM CCCCCN(CCCCC)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590596868 1093504962 /nfs/dbraw/zinc/50/49/62/1093504962.db2.gz WRFXSOOYZAFNCA-UHFFFAOYSA-N -1 1 328.424 2.715 20 30 EFEDMM CCCCCN(CCCCC)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590596868 1093504973 /nfs/dbraw/zinc/50/49/73/1093504973.db2.gz WRFXSOOYZAFNCA-UHFFFAOYSA-N -1 1 328.424 2.715 20 30 EFEDMM CCOc1ccc(C#N)cc1NCc1csc(-c2nn[n-]n2)c1 ZINC001590834529 1093590314 /nfs/dbraw/zinc/59/03/14/1093590314.db2.gz LIZICZCHJHNAKC-UHFFFAOYSA-N -1 1 326.385 2.811 20 30 EFEDMM CC[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(C)c(F)c1 ZINC001590868558 1093606000 /nfs/dbraw/zinc/60/60/00/1093606000.db2.gz ANZHTCZVZKJZQM-LBPRGKRZSA-N -1 1 338.350 2.539 20 30 EFEDMM CN(Cc1cc(C#N)cs1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591130360 1093667103 /nfs/dbraw/zinc/66/71/03/1093667103.db2.gz KPYNDIIABCDEQD-UHFFFAOYSA-N -1 1 337.821 2.546 20 30 EFEDMM COc1ccc2c(c1)OC(=Cc1cccc(F)c1-c1nn[n-]n1)C2=O ZINC001591627787 1093805236 /nfs/dbraw/zinc/80/52/36/1093805236.db2.gz JHHLMIKCMXNHAG-AUWJEWJLSA-N -1 1 338.298 2.631 20 30 EFEDMM COc1ccccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001591647808 1093817822 /nfs/dbraw/zinc/81/78/22/1093817822.db2.gz IZMCXHWDZSZOTD-UHFFFAOYSA-N -1 1 341.375 2.607 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001591886902 1093909650 /nfs/dbraw/zinc/90/96/50/1093909650.db2.gz NGRKXJMNPDGTKU-UHFFFAOYSA-N -1 1 345.410 2.826 20 30 EFEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001591886902 1093909654 /nfs/dbraw/zinc/90/96/54/1093909654.db2.gz NGRKXJMNPDGTKU-UHFFFAOYSA-N -1 1 345.410 2.826 20 30 EFEDMM Cc1cc(C)c2c(c1)OCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591949915 1093928783 /nfs/dbraw/zinc/92/87/83/1093928783.db2.gz HJUNCUDWDXASJS-YHYXMXQVSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1cc(C)c2c(c1)OCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591949915 1093928786 /nfs/dbraw/zinc/92/87/86/1093928786.db2.gz HJUNCUDWDXASJS-YHYXMXQVSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc(Cl)n1 ZINC001591958685 1093932941 /nfs/dbraw/zinc/93/29/41/1093932941.db2.gz JZTFUEFFLXVQCH-UHFFFAOYSA-N -1 1 346.782 2.781 20 30 EFEDMM Cc1cc(F)ccc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001591991687 1093949942 /nfs/dbraw/zinc/94/99/42/1093949942.db2.gz FGYNYNHMTYMDSU-UHFFFAOYSA-N -1 1 343.366 2.947 20 30 EFEDMM Cc1ccsc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001592285011 1094064802 /nfs/dbraw/zinc/06/48/02/1094064802.db2.gz BPYJGDSRRKZMGT-UHFFFAOYSA-N -1 1 331.405 2.968 20 30 EFEDMM Cc1nsc(NCc2ccc(C#N)c(Cl)c2)c1-c1nn[n-]n1 ZINC001592493203 1094112404 /nfs/dbraw/zinc/11/24/04/1094112404.db2.gz REWPBJCBHBCLFP-UHFFFAOYSA-N -1 1 331.792 2.769 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001592499699 1094114280 /nfs/dbraw/zinc/11/42/80/1094114280.db2.gz ABEYCDQNFNSHPJ-UHFFFAOYSA-N -1 1 334.339 2.770 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001592499699 1094114285 /nfs/dbraw/zinc/11/42/85/1094114285.db2.gz ABEYCDQNFNSHPJ-UHFFFAOYSA-N -1 1 334.339 2.770 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC001592501771 1094115873 /nfs/dbraw/zinc/11/58/73/1094115873.db2.gz MZXAYZZCPOYNHD-UHFFFAOYSA-N -1 1 342.742 2.630 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC001592501771 1094115874 /nfs/dbraw/zinc/11/58/74/1094115874.db2.gz MZXAYZZCPOYNHD-UHFFFAOYSA-N -1 1 342.742 2.630 20 30 EFEDMM N#CC1(CCOC(=O)c2csc(-c3nnn[n-]3)c2)CCCCC1 ZINC001592668894 1094173653 /nfs/dbraw/zinc/17/36/53/1094173653.db2.gz QXCJVWCSMBUNNZ-UHFFFAOYSA-N -1 1 331.401 2.949 20 30 EFEDMM N#CC1(CCOC(=O)c2csc(-c3nn[n-]n3)c2)CCCCC1 ZINC001592668894 1094173657 /nfs/dbraw/zinc/17/36/57/1094173657.db2.gz QXCJVWCSMBUNNZ-UHFFFAOYSA-N -1 1 331.401 2.949 20 30 EFEDMM N#Cc1cc(F)cc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001592689512 1094177513 /nfs/dbraw/zinc/17/75/13/1094177513.db2.gz IEVURSVILYBSSY-UHFFFAOYSA-N -1 1 347.313 2.611 20 30 EFEDMM N#Cc1ncn(Cc2ccc(-c3ccsc3)cc2)c1-c1nn[n-]n1 ZINC001592710486 1094183022 /nfs/dbraw/zinc/18/30/22/1094183022.db2.gz ZZDDXEAVEAACOH-UHFFFAOYSA-N -1 1 333.380 2.712 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1c[nH]c2cc(F)ccc12 ZINC001592802321 1094192212 /nfs/dbraw/zinc/19/22/12/1094192212.db2.gz AQXBBELTTHBDIM-ARJAWSKDSA-N -1 1 340.343 2.840 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1c[nH]c2cc(F)ccc12 ZINC001592802321 1094192215 /nfs/dbraw/zinc/19/22/15/1094192215.db2.gz AQXBBELTTHBDIM-ARJAWSKDSA-N -1 1 340.343 2.840 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1CC#Cc1ccc(Cl)cc1 ZINC001594339342 1094423635 /nfs/dbraw/zinc/42/36/35/1094423635.db2.gz IPAMVQDNEZNBBO-ZCPGHIKRSA-N -1 1 333.815 2.787 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)Cc3ccccc3C(=O)[O-])[nH]c21 ZINC001600555303 1095160242 /nfs/dbraw/zinc/16/02/42/1095160242.db2.gz PPMSPHSVTBMNHT-CQSZACIVSA-N -1 1 333.347 2.989 20 30 EFEDMM Cn1cc(CNCc2ccoc2C(=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC001600954119 1095444582 /nfs/dbraw/zinc/44/45/82/1095444582.db2.gz FLCMBEQKTKVEFD-UHFFFAOYSA-N -1 1 336.351 2.540 20 30 EFEDMM N#CC(C(=O)C12CC(C(=O)[O-])(C1)C2)c1nc2ccccc2n1C(F)F ZINC001601045313 1095477431 /nfs/dbraw/zinc/47/74/31/1095477431.db2.gz AHGKJSBFMPHSPC-QIGGRQAVSA-N -1 1 345.305 2.863 20 30 EFEDMM N#CC(C(=O)C12CC(C(=O)[O-])(C1)C2)c1nc2ccccc2n1C(F)F ZINC001601045316 1095477708 /nfs/dbraw/zinc/47/77/08/1095477708.db2.gz AHGKJSBFMPHSPC-VGXVPSNOSA-N -1 1 345.305 2.863 20 30 EFEDMM N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(C(=O)[O-])co1 ZINC001601046767 1095478198 /nfs/dbraw/zinc/47/81/98/1095478198.db2.gz BQOWFIBXNAUNMN-LLVKDONJSA-N -1 1 332.699 2.592 20 30 EFEDMM N#CC1(C(=O)[O-])CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001601052331 1095481530 /nfs/dbraw/zinc/48/15/30/1095481530.db2.gz OTOCWIKUVFXXTG-UHFFFAOYSA-N -1 1 342.317 2.818 20 30 EFEDMM N#CCC[C@@H](C#N)CN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001601064256 1095488096 /nfs/dbraw/zinc/48/80/96/1095488096.db2.gz QJCOJEIHPKOYNE-VBNZEHGJSA-N -1 1 331.803 2.884 20 30 EFEDMM N#Cc1c(CN2CCC3(CCC(O)CC3)CC2)cccc1C(=O)[O-] ZINC001601082383 1095496610 /nfs/dbraw/zinc/49/66/10/1095496610.db2.gz RZOLEXKOVXYILL-UHFFFAOYSA-N -1 1 328.412 2.774 20 30 EFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC001601095378 1095507094 /nfs/dbraw/zinc/50/70/94/1095507094.db2.gz PCWOTNOPAUVTOL-PZJWPPBQSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1ccc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)o1 ZINC001601100776 1095511092 /nfs/dbraw/zinc/51/10/92/1095511092.db2.gz YNOQNQGFAXDXOI-LSDHHAIUSA-N -1 1 332.306 2.730 20 30 EFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001601117543 1095520985 /nfs/dbraw/zinc/52/09/85/1095520985.db2.gz CWEJTZAZHILUAJ-PZJWPPBQSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c1F ZINC001601121958 1095526872 /nfs/dbraw/zinc/52/68/72/1095526872.db2.gz ABSGWODWMQTCRC-APHBMKBZSA-N -1 1 332.375 2.542 20 30 EFEDMM N#Cc1cccc(CN2CCC([N-]C(=O)C(F)(F)F)CC2)c1Cl ZINC001140810034 1095775777 /nfs/dbraw/zinc/77/57/77/1095775777.db2.gz ROSADVRLHGAATB-UHFFFAOYSA-N -1 1 345.752 2.855 20 30 EFEDMM O=C([O-])C1([C@@]2(O)CCCN(CC#Cc3ccccc3Cl)C2)CCC1 ZINC001601704359 1095846231 /nfs/dbraw/zinc/84/62/31/1095846231.db2.gz HLDKRLPBVBDXPI-LJQANCHMSA-N -1 1 347.842 2.773 20 30 EFEDMM C=C(C)[C@H]1CC=C(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001602754074 1096363868 /nfs/dbraw/zinc/36/38/68/1096363868.db2.gz YHRRXVPKSMRWHT-ZDUSSCGKSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)[C@H]1CC=C(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001602754074 1096363875 /nfs/dbraw/zinc/36/38/75/1096363875.db2.gz YHRRXVPKSMRWHT-ZDUSSCGKSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001602762912 1096366183 /nfs/dbraw/zinc/36/61/83/1096366183.db2.gz OFBPVBNSCINWIE-UHFFFAOYSA-N -1 1 331.401 2.594 20 30 EFEDMM C=C(C)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001602762912 1096366189 /nfs/dbraw/zinc/36/61/89/1096366189.db2.gz OFBPVBNSCINWIE-UHFFFAOYSA-N -1 1 331.401 2.594 20 30 EFEDMM C=C(C)c1cccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001602770183 1096367306 /nfs/dbraw/zinc/36/73/06/1096367306.db2.gz UEVADPHATGNIBI-UHFFFAOYSA-N -1 1 341.400 2.678 20 30 EFEDMM C=C(C)c1cccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001602770183 1096367315 /nfs/dbraw/zinc/36/73/15/1096367315.db2.gz UEVADPHATGNIBI-UHFFFAOYSA-N -1 1 341.400 2.678 20 30 EFEDMM C=CC[C@@H](CCc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001602816279 1096376463 /nfs/dbraw/zinc/37/64/63/1096376463.db2.gz LIYLKYSMXIKSPH-INIZCTEOSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CC[C@@H](CCc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001602816279 1096376470 /nfs/dbraw/zinc/37/64/70/1096376470.db2.gz LIYLKYSMXIKSPH-INIZCTEOSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CCC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001602833950 1096378853 /nfs/dbraw/zinc/37/88/53/1096378853.db2.gz YCJQQIABGXSVBD-CQSZACIVSA-N -1 1 334.383 2.699 20 30 EFEDMM C=CCC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001602833950 1096378860 /nfs/dbraw/zinc/37/88/60/1096378860.db2.gz YCJQQIABGXSVBD-CQSZACIVSA-N -1 1 334.383 2.699 20 30 EFEDMM C=CCCCCCCCNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001602834075 1096378929 /nfs/dbraw/zinc/37/89/29/1096378929.db2.gz FRJCCMZLULPLCK-UHFFFAOYSA-N -1 1 344.419 2.987 20 30 EFEDMM C=CCCCCCCCNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001602834075 1096378940 /nfs/dbraw/zinc/37/89/40/1096378940.db2.gz FRJCCMZLULPLCK-UHFFFAOYSA-N -1 1 344.419 2.987 20 30 EFEDMM C=CCC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001602833410 1096379276 /nfs/dbraw/zinc/37/92/76/1096379276.db2.gz LZEHVPFRZJUVEY-AWEZNQCLSA-N -1 1 334.383 2.950 20 30 EFEDMM C=CCC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001602833410 1096379281 /nfs/dbraw/zinc/37/92/81/1096379281.db2.gz LZEHVPFRZJUVEY-AWEZNQCLSA-N -1 1 334.383 2.950 20 30 EFEDMM C=CCCC(C)(C)CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001602833623 1096379660 /nfs/dbraw/zinc/37/96/60/1096379660.db2.gz SCRUDNZKQLRSBW-UHFFFAOYSA-N -1 1 335.358 2.867 20 30 EFEDMM C=CCCC(C)(C)CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001602833623 1096379668 /nfs/dbraw/zinc/37/96/68/1096379668.db2.gz SCRUDNZKQLRSBW-UHFFFAOYSA-N -1 1 335.358 2.867 20 30 EFEDMM C=CC[C@@H](Sc1nc(-c2ccc(OC)cc2OC)n[nH]1)C(=O)[O-] ZINC001602849218 1096384602 /nfs/dbraw/zinc/38/46/02/1096384602.db2.gz MEKQWYRZBXJHMF-GFCCVEGCSA-N -1 1 335.385 2.610 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001602852519 1096386169 /nfs/dbraw/zinc/38/61/69/1096386169.db2.gz USFFPOYPWDGYHI-UHFFFAOYSA-N -1 1 339.424 2.799 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001602852519 1096386176 /nfs/dbraw/zinc/38/61/76/1096386176.db2.gz USFFPOYPWDGYHI-UHFFFAOYSA-N -1 1 339.424 2.799 20 30 EFEDMM C=CCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001602884453 1096391695 /nfs/dbraw/zinc/39/16/95/1096391695.db2.gz DHWIPSFQVQAVES-UHFFFAOYSA-N -1 1 332.381 2.699 20 30 EFEDMM C=CCc1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc(OC)c1O ZINC001602926792 1096402493 /nfs/dbraw/zinc/40/24/93/1096402493.db2.gz OFWJKEWCXBVTPQ-KRWDZBQOSA-N -1 1 343.379 2.750 20 30 EFEDMM CC(C)(C#N)C(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001603034397 1096422072 /nfs/dbraw/zinc/42/20/72/1096422072.db2.gz ASWSZGMZVXLPCS-UHFFFAOYSA-N -1 1 349.354 2.542 20 30 EFEDMM CC(C)(C#N)C(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001603034397 1096422074 /nfs/dbraw/zinc/42/20/74/1096422074.db2.gz ASWSZGMZVXLPCS-UHFFFAOYSA-N -1 1 349.354 2.542 20 30 EFEDMM CC(C)CC[C@H]1CCC[C@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603278634 1096494006 /nfs/dbraw/zinc/49/40/06/1096494006.db2.gz RQIACPKDQAJHLU-VXGBXAGGSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CC[C@H]1CCC[C@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603278634 1096494009 /nfs/dbraw/zinc/49/40/09/1096494009.db2.gz RQIACPKDQAJHLU-VXGBXAGGSA-N -1 1 326.408 2.545 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCOCc2ccccc2)o1 ZINC001603495177 1096538359 /nfs/dbraw/zinc/53/83/59/1096538359.db2.gz IFGXGWWTHSFBKN-UHFFFAOYSA-N -1 1 341.375 2.558 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603734297 1096607403 /nfs/dbraw/zinc/60/74/03/1096607403.db2.gz CKAPQOCMLCXPHG-SNVBAGLBSA-N -1 1 339.790 2.984 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603734297 1096607407 /nfs/dbraw/zinc/60/74/07/1096607407.db2.gz CKAPQOCMLCXPHG-SNVBAGLBSA-N -1 1 339.790 2.984 20 30 EFEDMM CCCc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC001604245980 1096785276 /nfs/dbraw/zinc/78/52/76/1096785276.db2.gz ZOHHDCPWNOELSE-UHFFFAOYSA-N -1 1 325.376 2.952 20 30 EFEDMM CC[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(C)c(F)c1 ZINC001604484900 1096878603 /nfs/dbraw/zinc/87/86/03/1096878603.db2.gz ANZHTCZVZKJZQM-GFCCVEGCSA-N -1 1 338.350 2.539 20 30 EFEDMM CC1(C)CCC[C@@](NCC(=O)Nc2ccc(C#N)cc2)(C(=O)[O-])C1 ZINC001604529876 1096895699 /nfs/dbraw/zinc/89/56/99/1096895699.db2.gz JRZOPOMDRBLIHP-SFHVURJKSA-N -1 1 329.400 2.510 20 30 EFEDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC001604638949 1096919905 /nfs/dbraw/zinc/91/99/05/1096919905.db2.gz ZCTKVXFCGLDLOR-BQHKEAAHSA-N -1 1 342.439 2.662 20 30 EFEDMM CN(Cc1cc(C#N)cs1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001604800636 1096958005 /nfs/dbraw/zinc/95/80/05/1096958005.db2.gz CLWQDKPAHOWKKC-UHFFFAOYSA-N -1 1 337.821 2.546 20 30 EFEDMM CN(Cc1cc(C#N)cs1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001604800636 1096958009 /nfs/dbraw/zinc/95/80/09/1096958009.db2.gz CLWQDKPAHOWKKC-UHFFFAOYSA-N -1 1 337.821 2.546 20 30 EFEDMM CO[C@H]1C[C@H]2CC(N=Nc3oc(C(C)C)nc3-c3nn[n-]n3)C[C@H]2C1 ZINC001605150788 1097036119 /nfs/dbraw/zinc/03/61/19/1097036119.db2.gz AYMJGLBWQAEKJX-IAZYJMLFSA-N -1 1 345.407 2.581 20 30 EFEDMM COc1cc(C)ccc1C(=O)C=Cc1nc(-c2nnn[n-]2)cs1 ZINC001605203061 1097050558 /nfs/dbraw/zinc/05/05/58/1097050558.db2.gz SEBNACQBXGPRAU-AATRIKPKSA-N -1 1 327.369 2.536 20 30 EFEDMM COc1cc(C)ccc1C(=O)C=Cc1nc(-c2nn[n-]n2)cs1 ZINC001605203061 1097050566 /nfs/dbraw/zinc/05/05/66/1097050566.db2.gz SEBNACQBXGPRAU-AATRIKPKSA-N -1 1 327.369 2.536 20 30 EFEDMM COc1ccc(NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)nc1 ZINC001605301067 1097087439 /nfs/dbraw/zinc/08/74/39/1097087439.db2.gz HAASJIKUWJXRSW-UHFFFAOYSA-N -1 1 347.741 2.509 20 30 EFEDMM COc1ccc(NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)nc1 ZINC001605301067 1097087445 /nfs/dbraw/zinc/08/74/45/1097087445.db2.gz HAASJIKUWJXRSW-UHFFFAOYSA-N -1 1 347.741 2.509 20 30 EFEDMM COc1ccccc1CON=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC001605333615 1097099178 /nfs/dbraw/zinc/09/91/78/1097099178.db2.gz MSZATXZCIPYBSA-UHFFFAOYSA-N -1 1 329.385 2.878 20 30 EFEDMM CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC001605413762 1097122104 /nfs/dbraw/zinc/12/21/04/1097122104.db2.gz KLIXDPMHKYPKIE-YOEHRIQHSA-N -1 1 345.443 2.557 20 30 EFEDMM CCN(CCC(=O)[O-])CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC001605442771 1097125947 /nfs/dbraw/zinc/12/59/47/1097125947.db2.gz CMOQIONPCGTDBZ-CYBMUJFWSA-N -1 1 349.456 2.673 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](CCCC#N)c2ccccc2)n1 ZINC001605568962 1097160485 /nfs/dbraw/zinc/16/04/85/1097160485.db2.gz YBBVIGRCNNIVCS-AWEZNQCLSA-N -1 1 334.387 2.812 20 30 EFEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](CCCC#N)c2ccccc2)n1 ZINC001605568962 1097160489 /nfs/dbraw/zinc/16/04/89/1097160489.db2.gz YBBVIGRCNNIVCS-AWEZNQCLSA-N -1 1 334.387 2.812 20 30 EFEDMM Cc1cc(F)ccc1N(CC#N)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605683262 1097194352 /nfs/dbraw/zinc/19/43/52/1097194352.db2.gz YWQIWECGULVPDY-UHFFFAOYSA-N -1 1 342.359 2.546 20 30 EFEDMM Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1C#N ZINC001605856440 1097254606 /nfs/dbraw/zinc/25/46/06/1097254606.db2.gz MYMYIWJMZPJFKL-UHFFFAOYSA-N -1 1 325.763 2.707 20 30 EFEDMM Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1C#N ZINC001605856440 1097254610 /nfs/dbraw/zinc/25/46/10/1097254610.db2.gz MYMYIWJMZPJFKL-UHFFFAOYSA-N -1 1 325.763 2.707 20 30 EFEDMM CCc1oc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC001605889478 1097267183 /nfs/dbraw/zinc/26/71/83/1097267183.db2.gz OCEJXCJJQUZOGA-MRXNPFEDSA-N -1 1 328.368 2.577 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCCC1(C#N)CCC1 ZINC001606170487 1097336987 /nfs/dbraw/zinc/33/69/87/1097336987.db2.gz CVUWJBWPSWVZIZ-UHFFFAOYSA-N -1 1 329.360 2.789 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCCC1(C#N)CCC1 ZINC001606170487 1097336991 /nfs/dbraw/zinc/33/69/91/1097336991.db2.gz CVUWJBWPSWVZIZ-UHFFFAOYSA-N -1 1 329.360 2.789 20 30 EFEDMM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606276537 1097359590 /nfs/dbraw/zinc/35/95/90/1097359590.db2.gz QRKCUSMHIYODKJ-AATRIKPKSA-N -1 1 340.412 2.825 20 30 EFEDMM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606276537 1097359596 /nfs/dbraw/zinc/35/95/96/1097359596.db2.gz QRKCUSMHIYODKJ-AATRIKPKSA-N -1 1 340.412 2.825 20 30 EFEDMM N#CCCN(C(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001606348155 1097391673 /nfs/dbraw/zinc/39/16/73/1097391673.db2.gz MXPZGUMRULFFCY-UHFFFAOYSA-N -1 1 342.359 2.628 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1cnn(C2CCCC2)c1 ZINC001606488967 1097408581 /nfs/dbraw/zinc/40/85/81/1097408581.db2.gz ZCATXISFGSAZOP-AATRIKPKSA-N -1 1 341.400 2.531 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1cnn(C2CCCC2)c1 ZINC001606488967 1097408584 /nfs/dbraw/zinc/40/85/84/1097408584.db2.gz ZCATXISFGSAZOP-AATRIKPKSA-N -1 1 341.400 2.531 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001607201172 1097558607 /nfs/dbraw/zinc/55/86/07/1097558607.db2.gz BHXYVCIPMGWYKP-CYBMUJFWSA-N -1 1 340.379 2.881 20 30 EFEDMM COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)C(=O)[O-])c(OC)c1 ZINC001607234154 1097568476 /nfs/dbraw/zinc/56/84/76/1097568476.db2.gz ITQYXLYZVKBKSN-QGZVFWFLSA-N -1 1 344.342 2.630 20 30 EFEDMM COc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C#N ZINC001607251075 1097575383 /nfs/dbraw/zinc/57/53/83/1097575383.db2.gz UAEVJZYSYQYHKZ-UHFFFAOYSA-N -1 1 346.333 2.932 20 30 EFEDMM Cc1csc([C@@H]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)n1 ZINC001607930148 1097780030 /nfs/dbraw/zinc/78/00/30/1097780030.db2.gz RPORYFIDDSDJBK-HUUCEWRRSA-N -1 1 327.409 2.938 20 30 EFEDMM Cc1oc(C(=O)[O-])cc1CN(C)CCOCc1ccc(C#N)cc1 ZINC001608035371 1097810993 /nfs/dbraw/zinc/81/09/93/1097810993.db2.gz RIPKLLXBVHVAGS-UHFFFAOYSA-N -1 1 328.368 2.807 20 30 EFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001608084877 1097829153 /nfs/dbraw/zinc/82/91/53/1097829153.db2.gz IRCWKUIHXVGOCG-RMEHTXHKSA-N -1 1 337.379 2.785 20 30 EFEDMM N#CC1(C(=O)[O-])CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC001608174021 1097851893 /nfs/dbraw/zinc/85/18/93/1097851893.db2.gz FZAJRMMEQQRYSD-UHFFFAOYSA-N -1 1 342.317 2.775 20 30 EFEDMM N#Cc1ccc(CNCc2ccccc2OCC(=O)[O-])cc1Cl ZINC001608207148 1097862925 /nfs/dbraw/zinc/86/29/25/1097862925.db2.gz CFNUKPMQHNCKAW-UHFFFAOYSA-N -1 1 330.771 2.965 20 30 EFEDMM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001608217382 1097867670 /nfs/dbraw/zinc/86/76/70/1097867670.db2.gz BKVMLIHEYOVLNE-CQSZACIVSA-N -1 1 335.285 2.888 20 30 EFEDMM N#Cc1ccnc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001608220742 1097868430 /nfs/dbraw/zinc/86/84/30/1097868430.db2.gz LFMXFZQPFNSVMQ-CQSZACIVSA-N -1 1 346.184 2.631 20 30 EFEDMM O=C([O-])[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]([C@H]2CCCO2)C1 ZINC001608633963 1097972133 /nfs/dbraw/zinc/97/21/33/1097972133.db2.gz NEHNHRRNTQTUCU-KBAYOESNSA-N -1 1 331.387 2.521 20 30 EFEDMM C=C(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC001609050963 1098121718 /nfs/dbraw/zinc/12/17/18/1098121718.db2.gz JOGDFXLKSBULAC-CQSZACIVSA-N -1 1 345.309 2.785 20 30 EFEDMM C=C(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)c(F)c1 ZINC001609050963 1098121720 /nfs/dbraw/zinc/12/17/20/1098121720.db2.gz JOGDFXLKSBULAC-CQSZACIVSA-N -1 1 345.309 2.785 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)C2SC=CC2=O)o1 ZINC001609061659 1098127390 /nfs/dbraw/zinc/12/73/90/1098127390.db2.gz PPAITXDXDUIHOK-UHFFFAOYSA-N -1 1 347.404 2.656 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccsc2)o1 ZINC001609061519 1098128020 /nfs/dbraw/zinc/12/80/20/1098128020.db2.gz JAIJYERMYLVFCF-UHFFFAOYSA-N -1 1 331.405 2.951 20 30 EFEDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001609126414 1098158059 /nfs/dbraw/zinc/15/80/59/1098158059.db2.gz RKYGWYSGXQJFMD-JTQLQIEISA-N -1 1 335.327 2.820 20 30 EFEDMM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609153068 1098171630 /nfs/dbraw/zinc/17/16/30/1098171630.db2.gz LVUVRXYSHKULGD-CDXJMXTPSA-N -1 1 343.343 2.551 20 30 EFEDMM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609153068 1098171631 /nfs/dbraw/zinc/17/16/31/1098171631.db2.gz LVUVRXYSHKULGD-CDXJMXTPSA-N -1 1 343.343 2.551 20 30 EFEDMM COC1(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)CCCCC1 ZINC001609312392 1098245244 /nfs/dbraw/zinc/24/52/44/1098245244.db2.gz DLRGVXOYWJXIPV-UHFFFAOYSA-N -1 1 347.423 2.899 20 30 EFEDMM COc1cc(F)cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC001609345067 1098256899 /nfs/dbraw/zinc/25/68/99/1098256899.db2.gz HKPJPBMLFLFLQO-UHFFFAOYSA-N -1 1 345.338 2.572 20 30 EFEDMM C=CCOC[C@H](NCc1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC001609452828 1098333138 /nfs/dbraw/zinc/33/31/38/1098333138.db2.gz ZQEHSOMEJNZVGM-LBPRGKRZSA-N -1 1 334.199 2.747 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccccc1OC(F)F ZINC001609519725 1098367755 /nfs/dbraw/zinc/36/77/55/1098367755.db2.gz JMNVBASGHHQJQD-AATRIKPKSA-N -1 1 349.322 2.821 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccccc1OC(F)F ZINC001609519725 1098367761 /nfs/dbraw/zinc/36/77/61/1098367761.db2.gz JMNVBASGHHQJQD-AATRIKPKSA-N -1 1 349.322 2.821 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc(Cl)ccc1[O-] ZINC001269687291 1098368578 /nfs/dbraw/zinc/36/85/78/1098368578.db2.gz QFPHYMVGMRIDAQ-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM CC(N=Nc1cc(C(=O)[O-])ccc1Br)c1ccnn1C ZINC001609557026 1098379975 /nfs/dbraw/zinc/37/99/75/1098379975.db2.gz YTSJLOPPGPVYCZ-UHFFFAOYSA-N -1 1 337.177 2.717 20 30 EFEDMM C[C@H]1CCC[C@H](C)N1CC(N)=NOCc1cccc(C(=O)[O-])c1C#N ZINC001609851729 1098477213 /nfs/dbraw/zinc/47/72/13/1098477213.db2.gz ZQCLDHNFYXWUCZ-STQMWFEESA-N -1 1 344.415 2.518 20 30 EFEDMM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc([O-])cc1Cl)CC2 ZINC001269983320 1098567576 /nfs/dbraw/zinc/56/75/76/1098567576.db2.gz NOSFCRHJDLVRLN-AWEZNQCLSA-N -1 1 348.830 2.590 20 30 EFEDMM COCCOc1ccccc1C=NNc1cccc(F)c1C(=O)[O-] ZINC001610264972 1098593081 /nfs/dbraw/zinc/59/30/81/1098593081.db2.gz VCMKHSUGTSOJOA-UHFFFAOYSA-N -1 1 332.331 2.995 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001610279715 1098599360 /nfs/dbraw/zinc/59/93/60/1098599360.db2.gz KZHFZBXBOZMRMK-CYBMUJFWSA-N -1 1 340.379 2.881 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001610279242 1098600162 /nfs/dbraw/zinc/60/01/62/1098600162.db2.gz BANJKZLXPJVZAN-QGZVFWFLSA-N -1 1 328.343 2.930 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])cs2)cc([N+](=O)[O-])c1O ZINC001610293626 1098605910 /nfs/dbraw/zinc/60/59/10/1098605910.db2.gz IIMUEGYFJVQXMP-IHWYPQMZSA-N -1 1 349.320 2.965 20 30 EFEDMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC001610488651 1098708910 /nfs/dbraw/zinc/70/89/10/1098708910.db2.gz PMGQFVVOYMMWCR-CYBMUJFWSA-N -1 1 337.379 2.854 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN(CC(=O)[O-])C2CCCC2)c1C#N ZINC001610567304 1098758531 /nfs/dbraw/zinc/75/85/31/1098758531.db2.gz TUMGEKIZZCBAHA-UHFFFAOYSA-N -1 1 338.411 2.882 20 30 EFEDMM Cc1oc(CON=Cc2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC001610586202 1098768759 /nfs/dbraw/zinc/76/87/59/1098768759.db2.gz HBBUJWTVTSFXIX-UHFFFAOYSA-N -1 1 344.367 2.674 20 30 EFEDMM N#Cc1ccccc1N1CCCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001610632704 1098795704 /nfs/dbraw/zinc/79/57/04/1098795704.db2.gz FVDZMRMDKWAINN-UHFFFAOYSA-N -1 1 325.368 2.562 20 30 EFEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc([O-])cc3F)n2)c1 ZINC001622601503 1099528813 /nfs/dbraw/zinc/52/88/13/1099528813.db2.gz YBZHCAGYCZJGCC-UHFFFAOYSA-N -1 1 336.326 2.723 20 30 EFEDMM N#Cc1ccc(OC2CN(C(=O)c3ncc4ccccc4c3[O-])C2)cc1 ZINC001638196752 1100840228 /nfs/dbraw/zinc/84/02/28/1100840228.db2.gz KLRAOEHYIFPZKL-UHFFFAOYSA-N -1 1 345.358 2.715 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)cc1[O-] ZINC000785408978 1101268072 /nfs/dbraw/zinc/26/80/72/1101268072.db2.gz QTGZALSNFQRFAD-UHFFFAOYSA-N -1 1 345.358 2.726 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCN(C(=O)c3c([O-])cccc3Cl)C2)C1=O ZINC001271647192 1102205345 /nfs/dbraw/zinc/20/53/45/1102205345.db2.gz HVRQYNRADAIEHO-GOSISDBHSA-N -1 1 348.830 2.686 20 30 EFEDMM CC[C@@](C)(CCCNC(=O)c1ccc(C#N)c([O-])c1)C1OCCO1 ZINC000785410721 1102262473 /nfs/dbraw/zinc/26/24/73/1102262473.db2.gz DCEGVQUZPAMOPW-SFHVURJKSA-N -1 1 332.400 2.563 20 30 EFEDMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CC[N@H+]1CC#Cc1ccccc1 ZINC001088471319 1103829327 /nfs/dbraw/zinc/82/93/27/1103829327.db2.gz FVNBSHZPVDQANT-APWZRJJASA-N -1 1 334.419 2.637 20 30 EFEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1c(F)cccc1F ZINC000785413649 1103924124 /nfs/dbraw/zinc/92/41/24/1103924124.db2.gz LEFILSSQCAEFMV-YOEHRIQHSA-N -1 1 346.333 2.784 20 30 EFEDMM C=C(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841516748 1104050790 /nfs/dbraw/zinc/05/07/90/1104050790.db2.gz VOUOAJPXOAUUNZ-UHFFFAOYSA-N -1 1 335.784 2.510 20 30 EFEDMM N#Cc1ccc(C(=O)NC2CCC(O)(c3ccccc3)CC2)cc1[O-] ZINC000785416874 1104913252 /nfs/dbraw/zinc/91/32/52/1104913252.db2.gz ZMOJOWWSBXNYJR-UHFFFAOYSA-N -1 1 336.391 2.824 20 30 EFEDMM CC(C)(C)n1cc(C#N)c(NC(=O)c2cnc3ccccc3c2[O-])n1 ZINC001126760567 1105221354 /nfs/dbraw/zinc/22/13/54/1105221354.db2.gz VFBVAQYQIFDAJM-UHFFFAOYSA-N -1 1 335.367 2.604 20 30 EFEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000729818546 1105296240 /nfs/dbraw/zinc/29/62/40/1105296240.db2.gz XDUXHUXOYCITFR-UHFFFAOYSA-N -1 1 347.396 2.592 20 30 EFEDMM N#CCc1ccccc1CC(=O)Nc1nc(Br)ccc1[O-] ZINC000783901211 1107987631 /nfs/dbraw/zinc/98/76/31/1107987631.db2.gz MMPRAMICEHTUOJ-UHFFFAOYSA-N -1 1 346.184 2.797 20 30 EFEDMM C#CCOCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000784455200 1111194584 /nfs/dbraw/zinc/19/45/84/1111194584.db2.gz WHKLMKABEVPYEM-UHFFFAOYSA-N -1 1 342.631 2.575 20 30 EFEDMM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1cncc(Cl)n1 ZINC000914559491 1111257853 /nfs/dbraw/zinc/25/78/53/1111257853.db2.gz CAPQLVMWMNMUPR-UHFFFAOYSA-N -1 1 326.118 2.691 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616281 1111748973 /nfs/dbraw/zinc/74/89/73/1111748973.db2.gz HXRSENWZZMKKAL-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616276 1111749016 /nfs/dbraw/zinc/74/90/16/1111749016.db2.gz HXRSENWZZMKKAL-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM C[C@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000781122480 1111809854 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CC(=O)N[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1cccs1 ZINC000043751413 472259791 /nfs/dbraw/zinc/25/97/91/472259791.db2.gz CNJVCXVKXGNXAI-SSDOTTSWSA-N -1 1 347.322 2.741 20 30 EFEDMM CCc1cc2c(CNc3ccn(CCC#N)n3)cc(=O)oc2cc1[O-] ZINC000086155068 472271880 /nfs/dbraw/zinc/27/18/80/472271880.db2.gz HPOOJNYRHSNECQ-UHFFFAOYSA-N -1 1 338.367 2.783 20 30 EFEDMM COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000057125473 472383557 /nfs/dbraw/zinc/38/35/57/472383557.db2.gz YLWXBUPYFICAOC-UHFFFAOYSA-N -1 1 345.380 2.562 20 30 EFEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(C)c3c2)n1 ZINC000154672796 472458514 /nfs/dbraw/zinc/45/85/14/472458514.db2.gz ICCLOKSUZWXOQN-LLVKDONJSA-N -1 1 340.408 2.937 20 30 EFEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccon3)s2)cc1 ZINC000128805097 472498978 /nfs/dbraw/zinc/49/89/78/472498978.db2.gz CXJIUHOWDLMERL-UHFFFAOYSA-N -1 1 343.393 2.942 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCCCC#N)c2)c(=O)o1 ZINC000100700652 472528299 /nfs/dbraw/zinc/52/82/99/472528299.db2.gz 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472946682 /nfs/dbraw/zinc/94/66/82/472946682.db2.gz UKFLPWGQLQOKJF-CQSZACIVSA-N -1 1 330.351 2.687 20 30 EFEDMM N#Cc1c(Cl)nsc1NCCc1n[n-]c(=S)n1C1CC1 ZINC000092651755 472952474 /nfs/dbraw/zinc/95/24/74/472952474.db2.gz QEMYXVOXNJQBRP-UHFFFAOYSA-N -1 1 326.838 2.912 20 30 EFEDMM COCc1nc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2o1 ZINC000080299838 473012206 /nfs/dbraw/zinc/01/22/06/473012206.db2.gz GSELSSIGTXLSSY-UHFFFAOYSA-N -1 1 343.364 2.647 20 30 EFEDMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000093317189 473083166 /nfs/dbraw/zinc/08/31/66/473083166.db2.gz DQAUOFWTNQQWAW-UHFFFAOYSA-N -1 1 349.293 2.816 20 30 EFEDMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)NC(=O)C1CCCCC1 ZINC000066629092 473128827 /nfs/dbraw/zinc/12/88/27/473128827.db2.gz BCXAGMVWPFTIMZ-QMMMGPOBSA-N -1 1 347.341 2.887 20 30 EFEDMM C#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000191017226 473456830 /nfs/dbraw/zinc/45/68/30/473456830.db2.gz JCSIGTYLBUCEIQ-UHFFFAOYSA-N -1 1 342.420 2.501 20 30 EFEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000178330389 473493385 /nfs/dbraw/zinc/49/33/85/473493385.db2.gz XVPLOIZYDOAWFS-UHFFFAOYSA-N -1 1 336.344 2.515 20 30 EFEDMM C=CCn1c(-c2sc(NC(=O)CCOC)nc2C)n[n-]c1=S ZINC000170725268 473596074 /nfs/dbraw/zinc/59/60/74/473596074.db2.gz GLXGLSMYZIFQOX-UHFFFAOYSA-N -1 1 339.446 2.534 20 30 EFEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1F ZINC000179027980 473615354 /nfs/dbraw/zinc/61/53/54/473615354.db2.gz REAKELPEDYZQJQ-UHFFFAOYSA-N -1 1 347.371 2.765 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1[N+](=O)[O-] ZINC000179029006 473615426 /nfs/dbraw/zinc/61/54/26/473615426.db2.gz YBODIZGQTXBBNJ-UHFFFAOYSA-N -1 1 347.352 2.584 20 30 EFEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000154021496 473660970 /nfs/dbraw/zinc/66/09/70/473660970.db2.gz JUBZUCPDUKODSD-ZDUSSCGKSA-N -1 1 330.409 2.792 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N[C@@](C)(C#N)C(C)(C)C)c(=O)[n-]1 ZINC000274292802 473774278 /nfs/dbraw/zinc/77/42/78/473774278.db2.gz 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C[C@@H](CC#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271312403 474486670 /nfs/dbraw/zinc/48/66/70/474486670.db2.gz SRWTZJSZKWRCQB-QMMMGPOBSA-N -1 1 345.277 2.535 20 30 EFEDMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189899436 474502043 /nfs/dbraw/zinc/50/20/43/474502043.db2.gz DSCIJSYXXNNOGY-UHFFFAOYSA-N -1 1 346.390 2.996 20 30 EFEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000266990770 474557533 /nfs/dbraw/zinc/55/75/33/474557533.db2.gz VFIUBFDTDPDCRD-SECBINFHSA-N -1 1 328.397 2.575 20 30 EFEDMM C=CCSCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277388224 474584780 /nfs/dbraw/zinc/58/47/80/474584780.db2.gz IVBGVMJRMXBTEU-UHFFFAOYSA-N -1 1 345.262 2.873 20 30 EFEDMM C=CCCO[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277554068 474590502 /nfs/dbraw/zinc/59/05/02/474590502.db2.gz OPFHPMBFVGROGH-JTQLQIEISA-N -1 1 328.206 2.752 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)o1 ZINC000344415098 474733317 /nfs/dbraw/zinc/73/33/17/474733317.db2.gz ZFCPVESRZCEQIX-UHFFFAOYSA-N -1 1 334.372 2.691 20 30 EFEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000344755085 474788623 /nfs/dbraw/zinc/78/86/23/474788623.db2.gz BPCGSCNYUJCAJH-AWEZNQCLSA-N -1 1 343.408 2.519 20 30 EFEDMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000337252154 474826957 /nfs/dbraw/zinc/82/69/57/474826957.db2.gz KYRYXHMZLVXQGF-ZFVVBOAOSA-N -1 1 328.412 2.666 20 30 EFEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000285036521 474870852 /nfs/dbraw/zinc/87/08/52/474870852.db2.gz IVHQGVPXBNPMGG-NSHDSACASA-N -1 1 339.269 2.917 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cn1 ZINC000285065768 474880360 /nfs/dbraw/zinc/88/03/60/474880360.db2.gz JSAAXRVYMQBAIG-UHFFFAOYSA-N -1 1 347.396 2.550 20 30 EFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000321262184 474923674 /nfs/dbraw/zinc/92/36/74/474923674.db2.gz TZSBCKDACRCRIG-SSDOTTSWSA-N -1 1 330.258 2.660 20 30 EFEDMM CCCCCCCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000292349752 474975789 /nfs/dbraw/zinc/97/57/89/474975789.db2.gz WHMSUSDLBGCQAU-UHFFFAOYSA-N -1 1 328.434 2.599 20 30 EFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc4[nH]c(=O)oc43)nc1-2 ZINC000337424600 475003066 /nfs/dbraw/zinc/00/30/66/475003066.db2.gz CKMSONSHGPSFAJ-SNVBAGLBSA-N -1 1 333.307 2.603 20 30 EFEDMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1C ZINC000268932193 475079930 /nfs/dbraw/zinc/07/99/30/475079930.db2.gz CKMWLEDSLYVOJA-UHFFFAOYSA-N -1 1 338.820 2.846 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)cc2)o1 ZINC000286777708 475080975 /nfs/dbraw/zinc/08/09/75/475080975.db2.gz FZBSQWWLNQPAMK-UHFFFAOYSA-N -1 1 346.408 2.951 20 30 EFEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1[O-] ZINC000329392530 475084925 /nfs/dbraw/zinc/08/49/25/475084925.db2.gz SEUCSDNHTSXNCV-QYZOEREBSA-N -1 1 348.402 2.909 20 30 EFEDMM N#C[C@]1(C(=O)Nc2nc(Br)ccc2[O-])CC12CCCC2 ZINC000295292591 475117766 /nfs/dbraw/zinc/11/77/66/475117766.db2.gz JNTIZRNRPCXSMQ-AWEZNQCLSA-N -1 1 336.189 2.962 20 30 EFEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)on1 ZINC000613922179 480146951 /nfs/dbraw/zinc/14/69/51/480146951.db2.gz FVIYEZWZZVMEIP-UHFFFAOYSA-N -1 1 339.804 2.802 20 30 EFEDMM C=CCC(C)(C)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000292704042 475159759 /nfs/dbraw/zinc/15/97/59/475159759.db2.gz GQUUOAZVNZPIBB-UHFFFAOYSA-N -1 1 349.397 2.689 20 30 EFEDMM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1csc(=NC2CC2)[n-]1 ZINC000330244402 475217596 /nfs/dbraw/zinc/21/75/96/475217596.db2.gz XFEAYJPENIKKMK-OCCSQVGLSA-N -1 1 331.445 2.824 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000345674658 475356507 /nfs/dbraw/zinc/35/65/07/475356507.db2.gz JKMZUJJRIPHWHO-UHFFFAOYSA-N -1 1 332.429 2.979 20 30 EFEDMM C=CCn1c(=O)[nH]nc1S[C@H](C)C(=O)c1ccc(OC)cc1OC ZINC000348114679 475400772 /nfs/dbraw/zinc/40/07/72/475400772.db2.gz ISFQRBILLOFOLP-SNVBAGLBSA-N -1 1 349.412 2.550 20 30 EFEDMM Cc1ccc(-c2cc(=NC(=O)CNc3ccc(C#N)cc3)[nH][n-]2)s1 ZINC000354801610 475421741 /nfs/dbraw/zinc/42/17/41/475421741.db2.gz ROUAXHWDAJHPRC-UHFFFAOYSA-N -1 1 337.408 2.791 20 30 EFEDMM N#Cc1ccc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1[O-] ZINC000341932269 475425262 /nfs/dbraw/zinc/42/52/62/475425262.db2.gz WGAFUIVVWHALBY-UHFFFAOYSA-N -1 1 330.347 2.606 20 30 EFEDMM N#Cc1ccccc1OCc1cccc(C(=O)Nc2ccncc2[O-])c1 ZINC000358321166 475588955 /nfs/dbraw/zinc/58/89/55/475588955.db2.gz AAXRNCOIPCMFGQ-UHFFFAOYSA-N -1 1 345.358 2.912 20 30 EFEDMM C=CCOc1cccnc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000342421174 475596659 /nfs/dbraw/zinc/59/66/59/475596659.db2.gz CUULZCFREQPFSF-UHFFFAOYSA-N -1 1 336.351 2.994 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1C ZINC000342509991 475608319 /nfs/dbraw/zinc/60/83/19/475608319.db2.gz LTCBTDUNNQVRIH-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)COC3)n1 ZINC000352775538 475611548 /nfs/dbraw/zinc/61/15/48/475611548.db2.gz ZZCJHPUZHKINIX-ZDUSSCGKSA-N -1 1 342.376 2.840 20 30 EFEDMM CCc1[n-][nH]c(=NC(=O)c2cccc(C#N)c2C)c1Br ZINC000338228404 475691718 /nfs/dbraw/zinc/69/17/18/475691718.db2.gz VAFRENSOICZQHO-UHFFFAOYSA-N -1 1 333.189 2.589 20 30 EFEDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)[n-]c(=O)c1C ZINC000346713815 475790122 /nfs/dbraw/zinc/79/01/22/475790122.db2.gz HLICTBHLZWYRSO-NSHDSACASA-N -1 1 328.397 2.790 20 30 EFEDMM CCCC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC000349654399 475982538 /nfs/dbraw/zinc/98/25/38/475982538.db2.gz JCIRATCVGXINHM-CYBMUJFWSA-N -1 1 344.477 2.500 20 30 EFEDMM N#Cc1cccc(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000355500903 475988580 /nfs/dbraw/zinc/98/85/80/475988580.db2.gz DCTJZPRHGGHYKC-UHFFFAOYSA-N -1 1 338.791 2.872 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C ZINC000362129126 476019514 /nfs/dbraw/zinc/01/95/14/476019514.db2.gz JTTGDILTSUQYSD-UHFFFAOYSA-N -1 1 345.424 2.742 20 30 EFEDMM N#CC(=C([O-])c1cnn2ccncc12)c1ccc(C(F)(F)F)cn1 ZINC000338628363 476065111 /nfs/dbraw/zinc/06/51/11/476065111.db2.gz UYLIFGJABUAJCY-SNVBAGLBSA-N -1 1 331.257 2.633 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000355838639 476065525 /nfs/dbraw/zinc/06/55/25/476065525.db2.gz WETDOFDYWJHGEF-UHFFFAOYSA-N -1 1 343.408 2.820 20 30 EFEDMM N#C[C@H]([N-]S(=O)(=O)c1ccoc1)c1cccc(C(F)(F)F)c1 ZINC000350141705 476066116 /nfs/dbraw/zinc/06/61/16/476066116.db2.gz DSOHNNSHLFDKHM-LBPRGKRZSA-N -1 1 330.287 2.842 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000343478170 476075758 /nfs/dbraw/zinc/07/57/58/476075758.db2.gz IRSLBCJRWZOSOC-LBPRGKRZSA-N -1 1 342.461 2.831 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)ccc1C#N ZINC000336874097 476156912 /nfs/dbraw/zinc/15/69/12/476156912.db2.gz WQPKREXHIYVXFF-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM COCCCOc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000359103068 476190773 /nfs/dbraw/zinc/19/07/73/476190773.db2.gz MFDULUPFQNAWQX-UHFFFAOYSA-N -1 1 340.379 2.609 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)o1 ZINC000344281935 476214103 /nfs/dbraw/zinc/21/41/03/476214103.db2.gz LRVKYWFJXXSCMU-UHFFFAOYSA-N -1 1 345.207 2.979 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)o1 ZINC000344333283 476258439 /nfs/dbraw/zinc/25/84/39/476258439.db2.gz QZJNRYVSKGUQFV-GFCCVEGCSA-N -1 1 338.385 2.806 20 30 EFEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000351104060 476339161 /nfs/dbraw/zinc/33/91/61/476339161.db2.gz AGVFBQNKAGDKLK-SNVBAGLBSA-N -1 1 343.257 2.652 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)Cc2ccccc2)c(C#N)cc1N(C)C ZINC000357400652 476359721 /nfs/dbraw/zinc/35/97/21/476359721.db2.gz NCVPHMJWSXDFRQ-UHFFFAOYSA-N -1 1 329.425 2.875 20 30 EFEDMM N#CCCCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000368995366 476382582 /nfs/dbraw/zinc/38/25/82/476382582.db2.gz KBMGFWNBNRAOFK-UHFFFAOYSA-N -1 1 329.400 2.690 20 30 EFEDMM N#Cc1ccc(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000351290267 476399277 /nfs/dbraw/zinc/39/92/77/476399277.db2.gz PFAVFXDDZHFRES-UHFFFAOYSA-N -1 1 336.323 2.722 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1[O-] ZINC000360815809 476405067 /nfs/dbraw/zinc/40/50/67/476405067.db2.gz HDMDHBYLOZIJMH-CYBMUJFWSA-N -1 1 339.370 2.659 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)cc1[O-] ZINC000447729919 477045835 /nfs/dbraw/zinc/04/58/35/477045835.db2.gz IYMKQIHLJSQCOM-HNNXBMFYSA-N -1 1 335.407 2.910 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)s1 ZINC000431614752 477061184 /nfs/dbraw/zinc/06/11/84/477061184.db2.gz QZPYKDGCDIOZQI-LBPRGKRZSA-N -1 1 328.365 2.904 20 30 EFEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431630748 477064132 /nfs/dbraw/zinc/06/41/32/477064132.db2.gz NSMZMQLZNZFZKR-AWEZNQCLSA-N -1 1 340.326 2.982 20 30 EFEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1F ZINC000435716897 477357034 /nfs/dbraw/zinc/35/70/34/477357034.db2.gz IOFMVKNJPQAWJX-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435755513 477365570 /nfs/dbraw/zinc/36/55/70/477365570.db2.gz KEYMMTHNXNGCEI-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435760847 477367271 /nfs/dbraw/zinc/36/72/71/477367271.db2.gz ONOVXVYORHYHMS-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000416944036 477381313 /nfs/dbraw/zinc/38/13/13/477381313.db2.gz CTQWABCGUVVGQS-ZCFIWIBFSA-N -1 1 339.161 2.771 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000416954777 477385135 /nfs/dbraw/zinc/38/51/35/477385135.db2.gz IZFBFPYWJXOKMI-SNVBAGLBSA-N -1 1 333.291 2.501 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000416967814 477392921 /nfs/dbraw/zinc/39/29/21/477392921.db2.gz XKCJPMKVIGTCPB-CYBMUJFWSA-N -1 1 347.362 2.608 20 30 EFEDMM C=C(C)C(C)(C)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000424557038 477431810 /nfs/dbraw/zinc/43/18/10/477431810.db2.gz CSRODKIWPWKGSK-UHFFFAOYSA-N -1 1 326.418 2.608 20 30 EFEDMM CCOc1ccc(N(CCC#N)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436685862 477557547 /nfs/dbraw/zinc/55/75/47/477557547.db2.gz DQENCELLUKWOSY-UHFFFAOYSA-N -1 1 338.363 2.920 20 30 EFEDMM C=CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436863367 477618522 /nfs/dbraw/zinc/61/85/22/477618522.db2.gz KAXODWURYRBWGA-KRWDZBQOSA-N -1 1 338.407 2.794 20 30 EFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)nc1 ZINC000436867504 477620398 /nfs/dbraw/zinc/62/03/98/477620398.db2.gz CDNUVEUMOSFSNP-CYBMUJFWSA-N -1 1 343.770 2.606 20 30 EFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(Br)ccc1[O-] ZINC000437496845 477711294 /nfs/dbraw/zinc/71/12/94/477711294.db2.gz LORCJKJFQIIRLP-IINYFYTJSA-N -1 1 340.217 2.866 20 30 EFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c(Cl)c1 ZINC000450983327 477783978 /nfs/dbraw/zinc/78/39/78/477783978.db2.gz XPIHLPPVKXEZTR-UHFFFAOYSA-N -1 1 336.804 2.807 20 30 EFEDMM CC1(C)C(c2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)[nH]n2)C1(C)C ZINC000451056231 477804441 /nfs/dbraw/zinc/80/44/41/477804441.db2.gz OCDBFYPKFGZWTG-UHFFFAOYSA-N -1 1 345.428 2.627 20 30 EFEDMM C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000451184819 477865071 /nfs/dbraw/zinc/86/50/71/477865071.db2.gz NPXVSXCNLJDCOX-CWTRNNRKSA-N -1 1 341.411 2.943 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1 ZINC000439245313 477948648 /nfs/dbraw/zinc/94/86/48/477948648.db2.gz JONYIAYWXKWQJM-UHFFFAOYSA-N -1 1 342.405 2.878 20 30 EFEDMM CC#CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000476504895 478019780 /nfs/dbraw/zinc/01/97/80/478019780.db2.gz FIRGATHOVWMKQN-UHFFFAOYSA-N -1 1 342.667 2.856 20 30 EFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451491489 478047762 /nfs/dbraw/zinc/04/77/62/478047762.db2.gz FHIVSEXNVNFROX-MEDUHNTESA-N -1 1 339.388 2.831 20 30 EFEDMM C=CCn1cccc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000488073320 478115134 /nfs/dbraw/zinc/11/51/34/478115134.db2.gz HDUIZCZUVALAMZ-LLVKDONJSA-N -1 1 329.381 2.797 20 30 EFEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000429541470 478149361 /nfs/dbraw/zinc/14/93/61/478149361.db2.gz VTPOPIVQYXRXEY-SJKOYZFVSA-N -1 1 329.375 2.866 20 30 EFEDMM CC(C)(C#N)CCS(=O)(=O)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000562494682 478257278 /nfs/dbraw/zinc/25/72/78/478257278.db2.gz TYGYKCWZBNSOSN-UHFFFAOYSA-N -1 1 344.440 2.674 20 30 EFEDMM CC(C)(C#N)CCS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000562494682 478257281 /nfs/dbraw/zinc/25/72/81/478257281.db2.gz TYGYKCWZBNSOSN-UHFFFAOYSA-N -1 1 344.440 2.674 20 30 EFEDMM CCc1nc(SCC(=O)N(CC#N)c2ccccc2)[n-]c(=O)c1C ZINC000519765829 478258417 /nfs/dbraw/zinc/25/84/17/478258417.db2.gz DUQQGMARANCLKB-UHFFFAOYSA-N -1 1 342.424 2.702 20 30 EFEDMM COc1cc(OC)c2c(c1)N(C(=O)c1cc([O-])cc(C#N)c1)CCC2 ZINC000600309646 478332922 /nfs/dbraw/zinc/33/29/22/478332922.db2.gz QNSCFVBMWGOMDK-UHFFFAOYSA-N -1 1 338.363 2.874 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000590776563 478333559 /nfs/dbraw/zinc/33/35/59/478333559.db2.gz FEWQBJCRTFKBSR-SJORKVTESA-N -1 1 326.396 2.685 20 30 EFEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000570336331 478338245 /nfs/dbraw/zinc/33/82/45/478338245.db2.gz PQLVPJIVFFMIKF-CYBMUJFWSA-N -1 1 338.429 2.536 20 30 EFEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000581073924 478373469 /nfs/dbraw/zinc/37/34/69/478373469.db2.gz JZTWQEMNOGYPOY-UHFFFAOYSA-N -1 1 347.234 2.836 20 30 EFEDMM C=CCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594468398 478400219 /nfs/dbraw/zinc/40/02/19/478400219.db2.gz QEGAVIQZLPBFMQ-UHFFFAOYSA-N -1 1 335.784 2.510 20 30 EFEDMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000526085653 478404276 /nfs/dbraw/zinc/40/42/76/478404276.db2.gz SQUUORCLMDBCAO-NSHDSACASA-N -1 1 338.326 2.953 20 30 EFEDMM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000591091567 478460524 /nfs/dbraw/zinc/46/05/24/478460524.db2.gz FJBKCVGENACITH-LLVKDONJSA-N -1 1 330.384 2.599 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(F)c1C ZINC000594700282 478502487 /nfs/dbraw/zinc/50/24/87/478502487.db2.gz PFUUFGAVGNFBCM-MRVPVSSYSA-N -1 1 335.198 2.941 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000597851084 478539534 /nfs/dbraw/zinc/53/95/34/478539534.db2.gz HSMDREQBBWPTAS-MRXNPFEDSA-N -1 1 342.420 2.959 20 30 EFEDMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000591539770 478576610 /nfs/dbraw/zinc/57/66/10/478576610.db2.gz UPFGIVWFFKQAGW-WFASDCNBSA-N -1 1 344.411 2.704 20 30 EFEDMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000591539769 478576713 /nfs/dbraw/zinc/57/67/13/478576713.db2.gz UPFGIVWFFKQAGW-SWLSCSKDSA-N -1 1 344.411 2.704 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000591810770 478636788 /nfs/dbraw/zinc/63/67/88/478636788.db2.gz HOLUWPFTRHVGTL-KRWDZBQOSA-N -1 1 326.396 2.685 20 30 EFEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000592382050 478875253 /nfs/dbraw/zinc/87/52/53/478875253.db2.gz FEOINHHYRZKVHC-GFCCVEGCSA-N -1 1 335.351 2.707 20 30 EFEDMM CSc1nc(C)c(CCC(=O)Nc2cc(F)cc(C#N)c2)c(=O)[n-]1 ZINC000601716032 478969840 /nfs/dbraw/zinc/96/98/40/478969840.db2.gz SXVXEMRXVTVASC-UHFFFAOYSA-N -1 1 346.387 2.795 20 30 EFEDMM N#Cc1ccc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)cc1 ZINC000601930925 479079699 /nfs/dbraw/zinc/07/96/99/479079699.db2.gz LCNVFLZGMOPWJE-SFHVURJKSA-N -1 1 330.391 2.783 20 30 EFEDMM CCc1nc(-c2ccccc2[N-]S(=O)(=O)CCC(C)(C)C#N)n[nH]1 ZINC000566975795 479100217 /nfs/dbraw/zinc/10/02/17/479100217.db2.gz HCQKWYNQLMJZNY-UHFFFAOYSA-N -1 1 347.444 2.716 20 30 EFEDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC#N ZINC000554661651 479160198 /nfs/dbraw/zinc/16/01/98/479160198.db2.gz FCTZFVNKZWHLCG-UHFFFAOYSA-N -1 1 336.394 2.622 20 30 EFEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599271927 479228551 /nfs/dbraw/zinc/22/85/51/479228551.db2.gz KLFOQVJOSPCDOA-SNVBAGLBSA-N -1 1 347.383 2.775 20 30 EFEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000584759668 479230395 /nfs/dbraw/zinc/23/03/95/479230395.db2.gz OJLROWMAMWRBMI-UHFFFAOYSA-N -1 1 339.779 2.882 20 30 EFEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC000599316850 479251081 /nfs/dbraw/zinc/25/10/81/479251081.db2.gz FDKRUDSKOYZRPC-UHFFFAOYSA-N -1 1 347.383 2.632 20 30 EFEDMM CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000611280096 479335944 /nfs/dbraw/zinc/33/59/44/479335944.db2.gz ODYCLAPSUXJXCA-SFHVURJKSA-N -1 1 337.423 2.851 20 30 EFEDMM CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000587982231 479379254 /nfs/dbraw/zinc/37/92/54/479379254.db2.gz WPEQLBJNRFWFQL-UHFFFAOYSA-N -1 1 348.362 2.629 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)o1 ZINC000588108970 479396642 /nfs/dbraw/zinc/39/66/42/479396642.db2.gz OOIRPCOPBGGSRN-UHFFFAOYSA-N -1 1 344.314 2.691 20 30 EFEDMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C ZINC000603596555 479411369 /nfs/dbraw/zinc/41/13/69/479411369.db2.gz COHQOLHQWGEXLZ-UHFFFAOYSA-N -1 1 346.408 2.693 20 30 EFEDMM CCCCOc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000575323209 479429656 /nfs/dbraw/zinc/42/96/56/479429656.db2.gz KGXBMQZMLKHMOD-UHFFFAOYSA-N -1 1 348.424 2.851 20 30 EFEDMM N#Cc1c([N-]C(=O)c2noc(-c3cccc(F)c3)n2)n[nH]c1C1CC1 ZINC000588770024 479440025 /nfs/dbraw/zinc/44/00/25/479440025.db2.gz MBXNWELAFVOULU-UHFFFAOYSA-N -1 1 338.302 2.600 20 30 EFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000588942821 479462214 /nfs/dbraw/zinc/46/22/14/479462214.db2.gz NQAIVUGYRPGEIP-SECBINFHSA-N -1 1 349.225 2.805 20 30 EFEDMM Cc1cnccc1OC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000618511617 479474007 /nfs/dbraw/zinc/47/40/07/479474007.db2.gz XODVCPPJZMORNR-UHFFFAOYSA-N -1 1 337.379 2.651 20 30 EFEDMM CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000593848289 479483675 /nfs/dbraw/zinc/48/36/75/479483675.db2.gz COXQKHLRDFXQPD-HNNXBMFYSA-N -1 1 344.411 2.990 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000589166650 479489277 /nfs/dbraw/zinc/48/92/77/479489277.db2.gz QAJKBKSMHGNDLE-UHFFFAOYSA-N -1 1 336.351 2.800 20 30 EFEDMM COc1ccc(CCCNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589171896 479490291 /nfs/dbraw/zinc/49/02/91/479490291.db2.gz ZBCWANKIKLJSEO-UHFFFAOYSA-N -1 1 340.379 2.644 20 30 EFEDMM Cc1nccn1-c1ccccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589171848 479490932 /nfs/dbraw/zinc/49/09/32/479490932.db2.gz QZEMDWWBLHXTQI-UHFFFAOYSA-N -1 1 332.363 2.688 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 ZINC000589170500 479490982 /nfs/dbraw/zinc/49/09/82/479490982.db2.gz NXYAFRIZTQUTTQ-UHFFFAOYSA-N -1 1 335.363 2.639 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000589184058 479492240 /nfs/dbraw/zinc/49/22/40/479492240.db2.gz ZNLIIVYJYXFCTC-GOSISDBHSA-N -1 1 332.363 2.632 20 30 EFEDMM COc1ccc(C[C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589184564 479493072 /nfs/dbraw/zinc/49/30/72/479493072.db2.gz NOGUTIMPVGCGSW-LBPRGKRZSA-N -1 1 340.379 2.642 20 30 EFEDMM COc1ccc(OC(F)F)c(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589189133 479494403 /nfs/dbraw/zinc/49/44/03/479494403.db2.gz GPCYZOQRTNLJMN-UHFFFAOYSA-N -1 1 348.305 2.804 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1 ZINC000589190392 479494429 /nfs/dbraw/zinc/49/44/29/479494429.db2.gz REBOUCWFQWLJDX-UHFFFAOYSA-N -1 1 338.754 2.777 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000589195056 479496067 /nfs/dbraw/zinc/49/60/67/479496067.db2.gz FOLJOXNFEKPOTO-INIZCTEOSA-N -1 1 346.390 2.918 20 30 EFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)nn1-c1cccc(F)c1 ZINC000589196431 479496363 /nfs/dbraw/zinc/49/63/63/479496363.db2.gz AVQUKZXWEQKNJX-UHFFFAOYSA-N -1 1 336.326 2.571 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000589202367 479499014 /nfs/dbraw/zinc/49/90/14/479499014.db2.gz YAEJYXGLAABMQP-KRWDZBQOSA-N -1 1 326.327 2.696 20 30 EFEDMM Cc1ccnc(OC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589199577 479499208 /nfs/dbraw/zinc/49/92/08/479499208.db2.gz IIVJWUXVZCSTAX-UHFFFAOYSA-N -1 1 337.379 2.651 20 30 EFEDMM COCCn1c(NC(=O)c2cc([O-])cc(C#N)c2)nc2ccccc21 ZINC000589206540 479500093 /nfs/dbraw/zinc/50/00/93/479500093.db2.gz RFDPFFVKSTTXIF-UHFFFAOYSA-N -1 1 336.351 2.512 20 30 EFEDMM COCc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000589207430 479501137 /nfs/dbraw/zinc/50/11/37/479501137.db2.gz YRCUOTYCRCUQTF-INIZCTEOSA-N -1 1 326.352 2.981 20 30 EFEDMM C[C@@]1(CNC(=O)c2cc([O-])cc(C#N)c2)OCCc2sccc21 ZINC000589651626 479555436 /nfs/dbraw/zinc/55/54/36/479555436.db2.gz NOWHKMKIJZSWED-KRWDZBQOSA-N -1 1 328.393 2.543 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc(OC)c1C ZINC000590056507 479596824 /nfs/dbraw/zinc/59/68/24/479596824.db2.gz JYJHDMIEQBFHCV-UHFFFAOYSA-N -1 1 346.408 2.879 20 30 EFEDMM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000618883461 479622986 /nfs/dbraw/zinc/62/29/86/479622986.db2.gz PKFOURPJTHNYPH-UHFFFAOYSA-N -1 1 338.367 2.966 20 30 EFEDMM CC(C)(NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000590455124 479650312 /nfs/dbraw/zinc/65/03/12/479650312.db2.gz JNIVHKYQFAIQEI-UHFFFAOYSA-N -1 1 325.324 2.837 20 30 EFEDMM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000590453715 479650393 /nfs/dbraw/zinc/65/03/93/479650393.db2.gz DGHPNXJFGWWPJB-ZDUSSCGKSA-N -1 1 339.370 2.754 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000590533838 479657032 /nfs/dbraw/zinc/65/70/32/479657032.db2.gz FAEJROZCZQWFCR-UHFFFAOYSA-N -1 1 330.347 2.606 20 30 EFEDMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2[nH]c1=O ZINC000590597803 479665537 /nfs/dbraw/zinc/66/55/37/479665537.db2.gz XUZQOXKEVSAQQN-UHFFFAOYSA-N -1 1 339.376 2.509 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)cc1 ZINC000590597762 479666005 /nfs/dbraw/zinc/66/60/05/479666005.db2.gz QDNXKYLUOBOWRX-UHFFFAOYSA-N -1 1 328.349 2.598 20 30 EFEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(-n2cccn2)c1 ZINC000619423405 479785212 /nfs/dbraw/zinc/78/52/12/479785212.db2.gz YWCAXYGXTVBDCP-UHFFFAOYSA-N -1 1 334.335 2.710 20 30 EFEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1NC(=O)N(C)C ZINC000619458832 479798740 /nfs/dbraw/zinc/79/87/40/479798740.db2.gz KTOOBXKIZCVQTQ-UHFFFAOYSA-N -1 1 338.367 2.918 20 30 EFEDMM COc1c(F)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1F ZINC000619462193 479799800 /nfs/dbraw/zinc/79/98/00/479799800.db2.gz NDGWLDDPTFEPKX-UHFFFAOYSA-N -1 1 338.335 2.840 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc(OC)c1 ZINC000619461231 479799812 /nfs/dbraw/zinc/79/98/12/479799812.db2.gz ZPBLUBJDZPGENN-UHFFFAOYSA-N -1 1 332.381 2.571 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1OC ZINC000619461132 479800004 /nfs/dbraw/zinc/80/00/04/479800004.db2.gz DAYNQDCVDFTSLQ-UHFFFAOYSA-N -1 1 332.381 2.571 20 30 EFEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462586 479800069 /nfs/dbraw/zinc/80/00/69/479800069.db2.gz PAJQHAYDIMLQPG-UHFFFAOYSA-N -1 1 326.381 2.738 20 30 EFEDMM CC(C)(C#N)c1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000619472323 479803962 /nfs/dbraw/zinc/80/39/62/479803962.db2.gz FEUSQTFNOWFJMV-INIZCTEOSA-N -1 1 346.394 2.520 20 30 EFEDMM CN(C)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1Cl ZINC000616030158 479812329 /nfs/dbraw/zinc/81/23/29/479812329.db2.gz QMZZDIBXPFLWIR-QGZVFWFLSA-N -1 1 343.814 2.950 20 30 EFEDMM CCOc1cc(C(=O)N[C@]2(C#N)CCSC2)cc(Cl)c1[O-] ZINC000613019253 479841044 /nfs/dbraw/zinc/84/10/44/479841044.db2.gz ZWLYOJSOHFDKFD-AWEZNQCLSA-N -1 1 326.805 2.573 20 30 EFEDMM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000616171906 479843338 /nfs/dbraw/zinc/84/33/38/479843338.db2.gz KJLBGCZRFHJCSW-CYBMUJFWSA-N -1 1 339.370 2.754 20 30 EFEDMM C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616176349 479843833 /nfs/dbraw/zinc/84/38/33/479843833.db2.gz HKXQNCXMCVXAKJ-IFXJQAMLSA-N -1 1 335.407 2.514 20 30 EFEDMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298483 480258001 /nfs/dbraw/zinc/25/80/01/480258001.db2.gz YEMRZFYGIODUND-SNVBAGLBSA-N -1 1 332.306 2.739 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2coc(-c3cccs3)n2)c1 ZINC000614298461 480258088 /nfs/dbraw/zinc/25/80/88/480258088.db2.gz XNRDFDBSXWCRHH-UHFFFAOYSA-N -1 1 325.349 2.910 20 30 EFEDMM CC(C)(C)c1csc(CCNC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000614298683 480258269 /nfs/dbraw/zinc/25/82/69/480258269.db2.gz YHTAZCNAFOQIGT-UHFFFAOYSA-N -1 1 329.425 2.990 20 30 EFEDMM CCCCOc1ncccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298184 480258436 /nfs/dbraw/zinc/25/84/36/480258436.db2.gz OMGZREJGBXNRBJ-UHFFFAOYSA-N -1 1 325.368 2.768 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N=c2cc(-c3cccc(F)c3F)[nH][nH]2)c1 ZINC000614300274 480258902 /nfs/dbraw/zinc/25/89/02/480258902.db2.gz CPOSJALSAPVJAJ-UHFFFAOYSA-N -1 1 340.289 2.606 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000614358642 480281213 /nfs/dbraw/zinc/28/12/13/480281213.db2.gz DPVQCZZPVNSOEQ-UHFFFAOYSA-N -1 1 335.363 2.752 20 30 EFEDMM COC(=O)c1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1C1CC1 ZINC000617656501 480313631 /nfs/dbraw/zinc/31/36/31/480313631.db2.gz MTBVPZWBWSVNDZ-UHFFFAOYSA-N -1 1 343.364 2.637 20 30 EFEDMM C=CC[C@@H](CC)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000626850279 480563952 /nfs/dbraw/zinc/56/39/52/480563952.db2.gz CMIKIZIQOGRAJN-LLVKDONJSA-N -1 1 330.384 2.630 20 30 EFEDMM C=CCN1CCC(N=c2nc(-c3cc(F)cc(F)c3)[n-]s2)CC1 ZINC000645165229 480725235 /nfs/dbraw/zinc/72/52/35/480725235.db2.gz WIQHIPWGFWRCNI-UHFFFAOYSA-N -1 1 336.411 2.968 20 30 EFEDMM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000435583473 534362623 /nfs/dbraw/zinc/36/26/23/534362623.db2.gz GXJPIMJKXJNFIB-WMLDXEAASA-N -1 1 340.427 2.676 20 30 EFEDMM C=CC(C)(C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000295903607 534502227 /nfs/dbraw/zinc/50/22/27/534502227.db2.gz ZDOHDLUZNCOMLH-UHFFFAOYSA-N -1 1 340.445 2.573 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000362586159 534502307 /nfs/dbraw/zinc/50/23/07/534502307.db2.gz GIXMXHQFJPGILT-GFCCVEGCSA-N -1 1 348.399 2.931 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1C ZINC000176722692 521896071 /nfs/dbraw/zinc/89/60/71/521896071.db2.gz JWCHLNVZFDPXGK-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000116711928 525738691 /nfs/dbraw/zinc/73/86/91/525738691.db2.gz JYHQWCNMDJXNTF-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM Cc1ccc(-c2nc([N-]C(=O)c3c(F)cc(C#N)cc3F)n[nH]2)o1 ZINC000181879676 525850990 /nfs/dbraw/zinc/85/09/90/525850990.db2.gz MZIXEVOPNHJTND-UHFFFAOYSA-N -1 1 329.266 2.775 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000177752914 526194579 /nfs/dbraw/zinc/19/45/79/526194579.db2.gz OLKHADRQFHQGKF-UHFFFAOYSA-N -1 1 332.429 2.979 20 30 EFEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1cn(-c2ccccc2)nn1 ZINC000188775281 527283401 /nfs/dbraw/zinc/28/34/01/527283401.db2.gz GGMOQZVEUHNUAZ-UHFFFAOYSA-N -1 1 347.378 2.510 20 30 EFEDMM CC(C)CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344812979 535386020 /nfs/dbraw/zinc/38/60/20/535386020.db2.gz OWHUBSYAKVZKER-HUUCEWRRSA-N -1 1 340.445 2.803 20 30 EFEDMM CCOC(=O)c1cc2cc(C([O-])=C(C#N)c3ccncn3)ccc2[nH]1 ZINC000354466265 535685145 /nfs/dbraw/zinc/68/51/45/535685145.db2.gz MPNFGNDCWMQFHJ-ZDUSSCGKSA-N -1 1 334.335 2.625 20 30 EFEDMM CN(CCC#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000351811908 536297936 /nfs/dbraw/zinc/29/79/36/536297936.db2.gz PTTIUJTVHDGXOI-UHFFFAOYSA-N -1 1 334.173 2.689 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCOCC1 ZINC000657129424 547040004 /nfs/dbraw/zinc/04/00/04/547040004.db2.gz NEEAJNCEBFLQBE-UHFFFAOYSA-N -1 1 339.388 2.976 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCOCC1 ZINC000657129476 547040125 /nfs/dbraw/zinc/04/01/25/547040125.db2.gz PAPQQLWSROMTCE-UHFFFAOYSA-N -1 1 331.384 2.677 20 30 EFEDMM C=C(C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccccc1 ZINC000672423533 547750624 /nfs/dbraw/zinc/75/06/24/547750624.db2.gz BRIFACUOKSXCSQ-UHFFFAOYSA-N -1 1 339.363 2.965 20 30 EFEDMM N#C[C@@]1([N-]C(=O)C(F)(F)c2nccs2)CCc2ccccc2C1 ZINC000756749127 575783825 /nfs/dbraw/zinc/78/38/25/575783825.db2.gz GSIIDFJAGKZUPT-OAHLLOKOSA-N -1 1 333.363 2.802 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1c[nH]nc1-c1cccnc1 ZINC000756898978 575798476 /nfs/dbraw/zinc/79/84/76/575798476.db2.gz KEQURTRIPHSJGZ-UHFFFAOYSA-N -1 1 337.339 2.625 20 30 EFEDMM C#CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000756974204 575806943 /nfs/dbraw/zinc/80/69/43/575806943.db2.gz FMLTUUSPQUJPOQ-AWEZNQCLSA-N -1 1 348.355 2.777 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1OCC#N ZINC000757467040 575839848 /nfs/dbraw/zinc/83/98/48/575839848.db2.gz BCOVDBLBMQBXER-DJWKRKHSSA-N -1 1 325.320 2.905 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2O)cc([N+](=O)[O-])c1[O-] ZINC000757467968 575839953 /nfs/dbraw/zinc/83/99/53/575839953.db2.gz PLMXERQURFISPV-RQOWECAXSA-N -1 1 331.280 2.616 20 30 EFEDMM Cc1nn(C)c2ncc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3O)cc12 ZINC000757471866 575840126 /nfs/dbraw/zinc/84/01/26/575840126.db2.gz FTAFBOYYSZNBKR-HYXAFXHYSA-N -1 1 337.335 2.577 20 30 EFEDMM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 ZINC000757471410 575840197 /nfs/dbraw/zinc/84/01/97/575840197.db2.gz DKOYQXNLOUUDIH-FPYGCLRLSA-N -1 1 328.320 2.847 20 30 EFEDMM COc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c(O)c1 ZINC000757472659 575840211 /nfs/dbraw/zinc/84/02/11/575840211.db2.gz QWFUASQCGLYEHG-VMPITWQZSA-N -1 1 328.320 2.760 20 30 EFEDMM CCOC(=O)c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)o1 ZINC000757472480 575840215 /nfs/dbraw/zinc/84/02/15/575840215.db2.gz IVWHEJAXNXOINU-DAXSKMNVSA-N -1 1 330.292 2.756 20 30 EFEDMM [O-]c1c(O)cc(C=NNc2ccc(F)cn2)cc1Br ZINC000757574624 575842795 /nfs/dbraw/zinc/84/27/95/575842795.db2.gz KAVHNIPEQLDKHT-UHFFFAOYSA-N -1 1 326.125 2.840 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc2ccccc2s1 ZINC000758120392 575860280 /nfs/dbraw/zinc/86/02/80/575860280.db2.gz WSKNBPDDTODKEP-JTQLQIEISA-N -1 1 344.421 2.602 20 30 EFEDMM Cn1ncc2c1nc(N=NC1CCCc3c(Cl)cccc31)[n-]c2=O ZINC000758124657 575860344 /nfs/dbraw/zinc/86/03/44/575860344.db2.gz UNKAYJAPXBARCZ-UHFFFAOYSA-N -1 1 342.790 2.875 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000758145659 575861203 /nfs/dbraw/zinc/86/12/03/575861203.db2.gz ALAPYPCFMJOKLV-UHFFFAOYSA-N -1 1 330.365 2.994 20 30 EFEDMM COC(=O)[C@@H](C)Oc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000758433270 575869665 /nfs/dbraw/zinc/86/96/65/575869665.db2.gz GGRPGWHTTJXFMZ-DJTUGOFGSA-N -1 1 342.347 2.934 20 30 EFEDMM N#CC(=C([O-])c1cc(OCc2ccccc2)ccn1)c1ccncn1 ZINC000760342802 576007904 /nfs/dbraw/zinc/00/79/04/576007904.db2.gz ZTHIXCYZMCUTGS-MRXNPFEDSA-N -1 1 330.347 2.941 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2nc3ccc(F)cc3s2)c(=O)o1 ZINC000761476139 576167732 /nfs/dbraw/zinc/16/77/32/576167732.db2.gz RKUKZJJAODILRU-FOSCPCJNSA-N -1 1 331.324 2.664 20 30 EFEDMM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1nc(C)cc(=O)[n-]1 ZINC000763338265 576373346 /nfs/dbraw/zinc/37/33/46/576373346.db2.gz JOKGHJJCLLCCHE-UHFFFAOYSA-N -1 1 330.388 2.928 20 30 EFEDMM C=C(C)COCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764796622 576504538 /nfs/dbraw/zinc/50/45/38/576504538.db2.gz HWKDNRGAWRLYQS-UHFFFAOYSA-N -1 1 343.221 2.547 20 30 EFEDMM Cc1ccc(F)c2c1C(=N[N-]c1ncnc3ccsc31)C(=O)N2 ZINC000764836113 576509807 /nfs/dbraw/zinc/50/98/07/576509807.db2.gz UJEKPKYKGUKRHW-UHFFFAOYSA-N -1 1 327.344 2.907 20 30 EFEDMM O=c1nc(N=NC2CCC(C3CCCCC3)CC2)nc2[nH][n-]cc1-2 ZINC000766451824 577151924 /nfs/dbraw/zinc/15/19/24/577151924.db2.gz XTRGTFRMKAESSC-UHFFFAOYSA-N -1 1 328.420 2.970 20 30 EFEDMM C[C@H](C=Nn1c(=O)cn[n-]c1=S)Cc1ccc(C(C)(C)C)cc1 ZINC000766473287 577155428 /nfs/dbraw/zinc/15/54/28/577155428.db2.gz BIGSXQXRSSOXOB-LBPRGKRZSA-N -1 1 330.457 2.937 20 30 EFEDMM C[C@@H](C=Nn1c(=O)cn[n-]c1=S)Cc1ccc(C(C)(C)C)cc1 ZINC000766473285 577155548 /nfs/dbraw/zinc/15/55/48/577155548.db2.gz BIGSXQXRSSOXOB-GFCCVEGCSA-N -1 1 330.457 2.937 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000766481926 577157054 /nfs/dbraw/zinc/15/70/54/577157054.db2.gz FMURLJQIUFWMJS-UHFFFAOYSA-N -1 1 332.385 2.677 20 30 EFEDMM C[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000767379921 577206806 /nfs/dbraw/zinc/20/68/06/577206806.db2.gz NBIVNCDILRRLPZ-NEPJUHHUSA-N -1 1 339.417 2.826 20 30 EFEDMM C[C@@H]1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000767386051 577207025 /nfs/dbraw/zinc/20/70/25/577207025.db2.gz QZRSZNCNJYIKCE-GHMZBOCLSA-N -1 1 325.390 2.685 20 30 EFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCCCC(C)(C)C#N ZINC000768667754 577293552 /nfs/dbraw/zinc/29/35/52/577293552.db2.gz CCZIFVIMWYXRLZ-UHFFFAOYSA-N -1 1 344.415 2.858 20 30 EFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)cc2c[nH]nc21 ZINC000726733191 577382537 /nfs/dbraw/zinc/38/25/37/577382537.db2.gz RFPVILZYZLSJBD-AWEZNQCLSA-N -1 1 348.362 2.841 20 30 EFEDMM CCSc1cccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000769781453 577384549 /nfs/dbraw/zinc/38/45/49/577384549.db2.gz OGVPLGGXSWTIEY-UHFFFAOYSA-N -1 1 345.449 2.871 20 30 EFEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)[C@H]1CCOC1 ZINC000769808093 577386950 /nfs/dbraw/zinc/38/69/50/577386950.db2.gz AWQSJVCHVIQMOO-JTQLQIEISA-N -1 1 332.408 2.501 20 30 EFEDMM CCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000769819766 577387734 /nfs/dbraw/zinc/38/77/34/577387734.db2.gz XSFIGBTYHKTWOV-UHFFFAOYSA-N -1 1 330.779 2.949 20 30 EFEDMM CC(Cc1ccc(Cl)cc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000773199736 581404398 /nfs/dbraw/zinc/40/43/98/581404398.db2.gz ALTWULQHZJQFHB-UHFFFAOYSA-N -1 1 347.827 2.997 20 30 EFEDMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccccc1C#N ZINC000773567915 581446574 /nfs/dbraw/zinc/44/65/74/581446574.db2.gz OJZMLKWYGJOMJE-JTQLQIEISA-N -1 1 328.299 2.587 20 30 EFEDMM N#CCCN(C(=O)COC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773570310 581446879 /nfs/dbraw/zinc/44/68/79/581446879.db2.gz OJTZJHMPJFJYOA-UHFFFAOYSA-N -1 1 342.326 2.635 20 30 EFEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(C)c(C)s1 ZINC000774051561 581480577 /nfs/dbraw/zinc/48/05/77/581480577.db2.gz JKUCDYLBRDEFJI-LLVKDONJSA-N -1 1 329.381 2.730 20 30 EFEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CCC(=O)[O-] ZINC000817744408 597001555 /nfs/dbraw/zinc/00/15/55/597001555.db2.gz ZVZRYNIXJKPZTR-LLVKDONJSA-N -1 1 349.456 2.622 20 30 EFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000819855815 597636263 /nfs/dbraw/zinc/63/62/63/597636263.db2.gz DEUDXVHQDRCAOL-KRWDZBQOSA-N -1 1 338.323 2.766 20 30 EFEDMM CCCCc1nc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2[nH]1 ZINC000820317137 598225324 /nfs/dbraw/zinc/22/53/24/598225324.db2.gz GUPOUHPVBVMRIT-QGZVFWFLSA-N -1 1 328.372 2.849 20 30 EFEDMM CCCCc1nc2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2[nH]1 ZINC000820317136 598225348 /nfs/dbraw/zinc/22/53/48/598225348.db2.gz GUPOUHPVBVMRIT-KRWDZBQOSA-N -1 1 328.372 2.849 20 30 EFEDMM FC(F)(F)c1ccc(CNN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822723800 599338119 /nfs/dbraw/zinc/33/81/19/599338119.db2.gz OUMYVYHGDIACQI-UHFFFAOYSA-N -1 1 336.277 2.602 20 30 EFEDMM FC(F)(F)c1ccc(CNN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822723800 599338122 /nfs/dbraw/zinc/33/81/22/599338122.db2.gz OUMYVYHGDIACQI-UHFFFAOYSA-N -1 1 336.277 2.602 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000736309300 599438767 /nfs/dbraw/zinc/43/87/67/599438767.db2.gz NFGMPGSYSALQFT-CYBMUJFWSA-N -1 1 335.371 2.555 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000736309300 599438770 /nfs/dbraw/zinc/43/87/70/599438770.db2.gz NFGMPGSYSALQFT-CYBMUJFWSA-N -1 1 335.371 2.555 20 30 EFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cncc(F)c1 ZINC000735451158 599534561 /nfs/dbraw/zinc/53/45/61/599534561.db2.gz QSEPMBIRTOCFBH-UHFFFAOYSA-N -1 1 344.354 2.522 20 30 EFEDMM N#Cc1cccc(NC(=O)CCN2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000739133181 600083229 /nfs/dbraw/zinc/08/32/29/600083229.db2.gz GFINAMKGKIEFDJ-UHFFFAOYSA-N -1 1 335.363 2.601 20 30 EFEDMM CCC[C@@](C)(NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)C(=O)[O-] ZINC000736959177 600151479 /nfs/dbraw/zinc/15/14/79/600151479.db2.gz FMNSGDCZXMQUMQ-LJQANCHMSA-N -1 1 345.443 2.783 20 30 EFEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000736544703 600374935 /nfs/dbraw/zinc/37/49/35/600374935.db2.gz JRTRUMCOWRMESA-CHWSQXEVSA-N -1 1 349.456 2.672 20 30 EFEDMM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC)c1 ZINC000737995933 600562278 /nfs/dbraw/zinc/56/22/78/600562278.db2.gz UOZNHVITHVUNKQ-SFHVURJKSA-N -1 1 340.379 2.833 20 30 EFEDMM CC(C)Oc1ncccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827065791 601300383 /nfs/dbraw/zinc/30/03/83/601300383.db2.gz CLEXSVYHYDWNKT-MRXNPFEDSA-N -1 1 325.368 2.656 20 30 EFEDMM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1 ZINC000832311122 601309321 /nfs/dbraw/zinc/30/93/21/601309321.db2.gz QPVAVVOWNNEJHM-SFHVURJKSA-N -1 1 340.379 2.833 20 30 EFEDMM N#Cc1cccc([C@H](OC(=O)c2c(F)cc(O)cc2F)C(=O)[O-])c1 ZINC000833077294 601354192 /nfs/dbraw/zinc/35/41/92/601354192.db2.gz OOIOSZZTUHUAPT-AWEZNQCLSA-N -1 1 333.246 2.525 20 30 EFEDMM O=C(OCC#Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397338 607505225 /nfs/dbraw/zinc/50/52/25/607505225.db2.gz VMYDBDDAHBWTER-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM O=C(OCC#Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823397338 607505228 /nfs/dbraw/zinc/50/52/28/607505228.db2.gz VMYDBDDAHBWTER-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM C[C@@H]1CN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C[C@H]1C(=O)[O-] ZINC000828432585 601506725 /nfs/dbraw/zinc/50/67/25/601506725.db2.gz NYYIETWGJXJGBJ-ISLAFVSSSA-N -1 1 342.439 2.520 20 30 EFEDMM Cc1cc(CN=Nc2ccncc2Cl)cc(C)c1OCC(=O)[O-] ZINC000832881627 601626864 /nfs/dbraw/zinc/62/68/64/601626864.db2.gz SZQIRGCNBAHQEE-UHFFFAOYSA-N -1 1 333.775 2.683 20 30 EFEDMM N#Cc1ccc(-c2nnc(CN3CCC(CCC(=O)[O-])CC3)o2)cc1 ZINC000833070685 601840452 /nfs/dbraw/zinc/84/04/52/601840452.db2.gz QYYBLVXIPIAUKT-UHFFFAOYSA-N -1 1 340.383 2.685 20 30 EFEDMM C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1)C(=O)[O-] ZINC000794701157 602112308 /nfs/dbraw/zinc/11/23/08/602112308.db2.gz LDMCVRQCFWKXNI-VCFDLTMXSA-N -1 1 328.320 2.846 20 30 EFEDMM COc1cc(OC)cc([C@H](NCc2ccc(C#N)cc2F)C(=O)[O-])c1 ZINC000832056941 602171757 /nfs/dbraw/zinc/17/17/57/602171757.db2.gz KXTPZGDZNYYDCZ-KRWDZBQOSA-N -1 1 344.342 2.630 20 30 EFEDMM N#CCCCCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833061597 604358926 /nfs/dbraw/zinc/35/89/26/604358926.db2.gz DVCCVHSRXOXBFJ-MRXNPFEDSA-N -1 1 335.835 2.777 20 30 EFEDMM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1CCCCCC1 ZINC000833408959 604582415 /nfs/dbraw/zinc/58/24/15/604582415.db2.gz GJEPDXDJBSFLDF-CYBMUJFWSA-N -1 1 330.384 2.564 20 30 EFEDMM CC(C)[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1CCCCC1 ZINC000833466351 604583133 /nfs/dbraw/zinc/58/31/33/604583133.db2.gz XIHYCNANOPMMQD-QGZVFWFLSA-N -1 1 344.411 2.810 20 30 EFEDMM C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1[C@H](C)CC[C@@H]1C ZINC000833604085 604583191 /nfs/dbraw/zinc/58/31/91/604583191.db2.gz RFRRMKQTVXHQCM-FRRDWIJNSA-N -1 1 330.384 2.561 20 30 EFEDMM COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000831977282 604626963 /nfs/dbraw/zinc/62/69/63/604626963.db2.gz SDETUKXQRDSVBA-FARCUNLSSA-N -1 1 343.291 2.903 20 30 EFEDMM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000831977284 604627362 /nfs/dbraw/zinc/62/73/62/604627362.db2.gz SDETUKXQRDSVBA-UQCOIBPSSA-N -1 1 343.291 2.903 20 30 EFEDMM C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409556 604928363 /nfs/dbraw/zinc/92/83/63/604928363.db2.gz OSJIYVDCOIVEPT-UKRRQHHQSA-N -1 1 343.427 2.708 20 30 EFEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1nc2cc(F)c(F)cc2[nH]1 ZINC000833407141 605039164 /nfs/dbraw/zinc/03/91/64/605039164.db2.gz RNLPMHSURFOYQE-QMMMGPOBSA-N -1 1 333.298 2.734 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000821770823 606386911 /nfs/dbraw/zinc/38/69/11/606386911.db2.gz XSRDGRGLBQBGDK-ZZXKWVIFSA-N -1 1 330.344 2.972 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000822922016 606388174 /nfs/dbraw/zinc/38/81/74/606388174.db2.gz BUYNJFUMDUSTOV-FNORWQNLSA-N -1 1 327.325 2.733 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)CCc2ccccc2)o1 ZINC000822424152 606434501 /nfs/dbraw/zinc/43/45/01/606434501.db2.gz SDQNLXDHGQJMQQ-NSHDSACASA-N -1 1 325.376 2.830 20 30 EFEDMM Cc1ncc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)s1 ZINC000823962789 608053803 /nfs/dbraw/zinc/05/38/03/608053803.db2.gz OQUZOGPDIORGKU-UHFFFAOYSA-N -1 1 346.420 2.654 20 30 EFEDMM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000826044637 608093585 /nfs/dbraw/zinc/09/35/85/608093585.db2.gz ILPRKYJBFHCOLX-HYXAFXHYSA-N -1 1 337.408 2.817 20 30 EFEDMM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000826044637 608093586 /nfs/dbraw/zinc/09/35/86/608093586.db2.gz ILPRKYJBFHCOLX-HYXAFXHYSA-N -1 1 337.408 2.817 20 30 EFEDMM Cc1nc(Cl)cc(N=NC(C)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000823958790 608094799 /nfs/dbraw/zinc/09/47/99/608094799.db2.gz WVMGQFKUPINZGX-UHFFFAOYSA-N -1 1 334.796 2.516 20 30 EFEDMM CC[C@H]1C[C@@H](CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825184740 609517324 /nfs/dbraw/zinc/51/73/24/609517324.db2.gz YXAKFQOQANEISM-RYUDHWBXSA-N -1 1 347.423 2.656 20 30 EFEDMM C#CC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000018941080 1249511698 /nfs/dbraw/zinc/51/16/98/1249511698.db2.gz TYRPRKCCELYPRV-UHFFFAOYSA-N -1 1 343.029 2.667 20 30 EFEDMM C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(O)c(F)c3F)C2)C1=O ZINC001272724949 1253076115 /nfs/dbraw/zinc/07/61/15/1253076115.db2.gz RVIONVJPKNCAQG-SFHVURJKSA-N -1 1 336.382 2.671 20 30 EFEDMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000007050622 1262885991 /nfs/dbraw/zinc/88/59/91/1262885991.db2.gz ADXRHVKQAFWKBY-UHFFFAOYSA-N -1 1 344.392 2.926 20 30 EFEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OCC#N)c3)ccc2O1 ZINC000729963692 1264129819 /nfs/dbraw/zinc/12/98/19/1264129819.db2.gz PBTSLLPOTABYJW-LBPRGKRZSA-N -1 1 344.392 2.713 20 30 EFEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OCC#N)c3)ccc2O1 ZINC000729963691 1264130426 /nfs/dbraw/zinc/13/04/26/1264130426.db2.gz PBTSLLPOTABYJW-GFCCVEGCSA-N -1 1 344.392 2.713 20 30 EFEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC#N)ccc2C)c1 ZINC000011336655 1264770530 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/nfs/dbraw/zinc/06/54/93/1272065493.db2.gz LFXNPQDHQGRZBQ-MQDFFIGUSA-N -1 1 332.377 2.645 20 30 EFEDMM C[C@H](C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1)NC(=O)OC(C)(C)C ZINC000843933781 1278685518 /nfs/dbraw/zinc/68/55/18/1278685518.db2.gz GQRJWMMDACGMOA-NWDGAFQWSA-N -1 1 347.415 2.685 20 30 EFEDMM C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078975554 1272539680 /nfs/dbraw/zinc/53/96/80/1272539680.db2.gz IFDOSRPRQWTMDM-HNNXBMFYSA-N -1 1 345.443 2.597 20 30 EFEDMM CCn1cc(NCc2ncccc2[O-])c2sc(C#N)cc2c1=O ZINC001169737458 1273145677 /nfs/dbraw/zinc/14/56/77/1273145677.db2.gz QACNYHQLVUPLIK-UHFFFAOYSA-N -1 1 326.381 2.667 20 30 EFEDMM C[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000747754349 1275035672 /nfs/dbraw/zinc/03/56/72/1275035672.db2.gz WISINFVOFOUBFS-RYUDHWBXSA-N -1 1 339.417 2.826 20 30 EFEDMM CC(CSC(C)(C)C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248044 1275118027 /nfs/dbraw/zinc/11/80/27/1275118027.db2.gz CWJZBXAUGKPYGA-UHFFFAOYSA-N -1 1 345.446 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/nfs/dbraw/zinc/11/57/01/1277115701.db2.gz UEOJXMCSPWPKOI-UHFFFAOYSA-N -1 1 333.369 2.908 20 30 EFEDMM [O-]c1ccc(Cl)c(F)c1C=NNC(=S)NCC(F)(F)F ZINC000790160231 1277302148 /nfs/dbraw/zinc/30/21/48/1277302148.db2.gz YVIMGGHTHXGSKJ-UHFFFAOYSA-N -1 1 329.706 2.545 20 30 EFEDMM COc1cc(CN=Nc2ncccc2C)ccc1OCCC(=O)[O-] ZINC000790186594 1277335967 /nfs/dbraw/zinc/33/59/67/1277335967.db2.gz NCWRVLODXQLIAX-UHFFFAOYSA-N -1 1 329.356 2.698 20 30 EFEDMM N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790926960 1277849239 /nfs/dbraw/zinc/84/92/39/1277849239.db2.gz CBOAJRUEHPBNDS-UHFFFAOYSA-N -1 1 338.298 2.547 20 30 EFEDMM COc1cc(C=NNc2cccc(Cl)n2)ccc1OCC(=O)[O-] ZINC000793160999 1279391140 /nfs/dbraw/zinc/39/11/40/1279391140.db2.gz GYFUGQFCLRTPIM-UHFFFAOYSA-N -1 1 335.747 2.653 20 30 EFEDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2C1 ZINC000793407428 1279599809 /nfs/dbraw/zinc/59/98/09/1279599809.db2.gz HFBBGFUOTDQYFB-OAHLLOKOSA-N -1 1 346.383 2.612 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(N3CCOCC3)CCCCC2)c1 ZINC000005290591 1279612503 /nfs/dbraw/zinc/61/25/03/1279612503.db2.gz MEAAMJVTEYNNAP-CPNJWEJPSA-N -1 1 347.415 2.754 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)cc1 ZINC001144677721 1279991453 /nfs/dbraw/zinc/99/14/53/1279991453.db2.gz AALZCACCGXRAHR-UHFFFAOYSA-N -1 1 327.409 2.640 20 30 EFEDMM C#CCOc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000747223789 1280406737 /nfs/dbraw/zinc/40/67/37/1280406737.db2.gz QZKXQTHEUKJQGR-UHFFFAOYSA-N -1 1 325.368 2.878 20 30 EFEDMM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001145027592 1280679361 /nfs/dbraw/zinc/67/93/61/1280679361.db2.gz XBMMCELFMSZQJI-ZDUSSCGKSA-N -1 1 333.388 2.896 20 30 EFEDMM C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001146226708 1280855459 /nfs/dbraw/zinc/85/54/59/1280855459.db2.gz ZQKZGPZLVFBDAE-KZULUSFZSA-N -1 1 343.383 2.672 20 30 EFEDMM N#Cc1cccc(C(F)(F)F)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586727 1281662919 /nfs/dbraw/zinc/66/29/19/1281662919.db2.gz VOQAHBWKHYBWJO-UHFFFAOYSA-N -1 1 338.241 2.946 20 30 EFEDMM C=C[C@H]1C[C@@]1(NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)OCC ZINC001148799358 1281764481 /nfs/dbraw/zinc/76/44/81/1281764481.db2.gz LZAUYQQNKVEZPD-VFZGTOFNSA-N -1 1 343.301 2.649 20 30 EFEDMM C=C[C@@H]1C[C@]1(NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)OCC ZINC001148799357 1281765197 /nfs/dbraw/zinc/76/51/97/1281765197.db2.gz LZAUYQQNKVEZPD-RFAUZJTJSA-N -1 1 343.301 2.649 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)c1 ZINC000809612950 1282318893 /nfs/dbraw/zinc/31/88/93/1282318893.db2.gz GGLGKYNADFVRTM-UHFFFAOYSA-N -1 1 345.358 2.726 20 30 EFEDMM CC[C@](C)(CCCNC(=O)c1cc([O-])cc(C#N)c1)C1OCCO1 ZINC000809700967 1282390980 /nfs/dbraw/zinc/39/09/80/1282390980.db2.gz RZUGKUNIDMRJFE-GOSISDBHSA-N -1 1 332.400 2.563 20 30 EFEDMM CCCCO[C@@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1(C)C ZINC000747629921 1283620598 /nfs/dbraw/zinc/62/05/98/1283620598.db2.gz NYNYNBYVXCRXJP-OAHLLOKOSA-N -1 1 349.456 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/nfs/dbraw/zinc/92/20/02/1286922002.db2.gz ASCSKJJPOFZBHT-UHFFFAOYSA-N -1 1 338.816 2.975 20 30 EFEDMM Cc1cc(C)c(C(=O)[O-])cc1C=Nn1c(C(F)(F)F)n[nH]c1=S ZINC000814723902 1286968510 /nfs/dbraw/zinc/96/85/10/1286968510.db2.gz NPUYNBXWDTWOOQ-UHFFFAOYSA-N -1 1 344.318 2.783 20 30 EFEDMM CC(=NNc1ccncc1Cl)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814869027 1287109922 /nfs/dbraw/zinc/10/99/22/1287109922.db2.gz QMTUWBKFMJESRR-NSHDSACASA-N -1 1 333.775 2.845 20 30 EFEDMM Cc1ccc2c(c1)oc(C(C)N=Nc1cnn(C)c1)c2CC(=O)[O-] ZINC000814915080 1287173906 /nfs/dbraw/zinc/17/39/06/1287173906.db2.gz NTAKVTUQRTVMHX-UHFFFAOYSA-N -1 1 326.356 2.938 20 30 EFEDMM C#C[C@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000816047809 1287966316 /nfs/dbraw/zinc/96/63/16/1287966316.db2.gz PFFQCIKWMRALIA-CQSZACIVSA-N -1 1 341.363 2.949 20 30 EFEDMM N#Cc1ccc(NC(=O)C2(Cc3cccnc3)CCOCC2)c([O-])c1 ZINC001177202588 1288307207 /nfs/dbraw/zinc/30/72/07/1288307207.db2.gz ZCZKXKJWDTYVHH-UHFFFAOYSA-N -1 1 337.379 2.637 20 30 EFEDMM O=C(COc1c(F)c(F)c(F)c(F)c1F)[N-]C1(C(F)(F)F)CC1 ZINC001180162803 1289439697 /nfs/dbraw/zinc/43/96/97/1289439697.db2.gz VNNUVYIQWMJALF-UHFFFAOYSA-N -1 1 349.177 2.972 20 30 EFEDMM COc1ccc(C(C)(C)C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001180874196 1289649834 /nfs/dbraw/zinc/64/98/34/1289649834.db2.gz GFPKFJIEPWTZNN-UHFFFAOYSA-N -1 1 327.384 2.798 20 30 EFEDMM Cc1cccc(N2CC[C@H](C(=O)Nc3ccc(C#N)cc3[O-])C2=O)c1 ZINC001184628425 1290484182 /nfs/dbraw/zinc/48/41/82/1290484182.db2.gz XCOBPJPAFZQSMQ-OAHLLOKOSA-N -1 1 335.363 2.564 20 30 EFEDMM C=C1CC(C)(C(=O)N(C(=S)[N-]C(=O)OC)c2ccccc2N)C1 ZINC001184791650 1290523098 /nfs/dbraw/zinc/52/30/98/1290523098.db2.gz LHVLLUOHSUOOLR-UHFFFAOYSA-N -1 1 333.413 2.599 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1C#N ZINC001185837093 1290768839 /nfs/dbraw/zinc/76/88/39/1290768839.db2.gz VABNNHQNBPBHFQ-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1Cl ZINC001185944358 1290787105 /nfs/dbraw/zinc/78/71/05/1290787105.db2.gz VUGHUDGSMJYVNN-UHFFFAOYSA-N -1 1 332.772 2.889 20 30 EFEDMM N#Cc1ccc(N2CCCN(Cc3ccc(F)c([O-])c3F)CC2)nc1 ZINC001232935142 1312811801 /nfs/dbraw/zinc/81/18/01/1312811801.db2.gz NSBKEJMKKZPQOF-UHFFFAOYSA-N -1 1 344.365 2.649 20 30 EFEDMM N#Cc1ccccc1N1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232968372 1312821006 /nfs/dbraw/zinc/82/10/06/1312821006.db2.gz IMNQVMPABPXGSR-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM C=CCOc1cccnc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000775105905 1291129134 /nfs/dbraw/zinc/12/91/34/1291129134.db2.gz DVPDCCKOXOHCHD-UHFFFAOYSA-N -1 1 341.363 2.954 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3cc(Cl)ncc3[O-])CC2)cc1 ZINC001233036157 1312839527 /nfs/dbraw/zinc/83/95/27/1312839527.db2.gz LTRLWBWOCRQRBA-UHFFFAOYSA-N -1 1 328.803 2.634 20 30 EFEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(CC#N)c1 ZINC001187998548 1291281990 /nfs/dbraw/zinc/28/19/90/1291281990.db2.gz SEBJLXVXHLNGMZ-UHFFFAOYSA-N -1 1 343.408 2.767 20 30 EFEDMM O=C(NC(=N[O-])c1ccc(OC(F)(F)F)cc1)c1cccc(F)n1 ZINC001188720006 1291451225 /nfs/dbraw/zinc/45/12/25/1291451225.db2.gz LTIBIJHTNLCMDE-UHFFFAOYSA-N -1 1 343.236 2.685 20 30 EFEDMM Cc1cc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ccn1 ZINC001188790778 1291469816 /nfs/dbraw/zinc/46/98/16/1291469816.db2.gz JXCIRGUUDSKGKK-UHFFFAOYSA-N -1 1 339.273 2.854 20 30 EFEDMM N#Cc1cc(F)cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189815309 1291875988 /nfs/dbraw/zinc/87/59/88/1291875988.db2.gz WNRRLWFUMSOTCV-UHFFFAOYSA-N -1 1 326.299 2.917 20 30 EFEDMM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1c([O-])ccc(F)c1F ZINC001233334379 1312906565 /nfs/dbraw/zinc/90/65/65/1312906565.db2.gz DKSKKBQUTPKUOD-HNNXBMFYSA-N -1 1 349.381 2.706 20 30 EFEDMM Cc1noc([N-]C(=O)c2c(Cl)n(C)nc2C(F)(F)F)c1C#N ZINC001190523615 1292198192 /nfs/dbraw/zinc/19/81/92/1292198192.db2.gz DMPUMQOYMPGNAE-UHFFFAOYSA-N -1 1 333.657 2.513 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)c2)c([O-])c1 ZINC001190557921 1292219279 /nfs/dbraw/zinc/21/92/79/1292219279.db2.gz UFAJROSEDLYQDC-UHFFFAOYSA-N -1 1 345.358 2.726 20 30 EFEDMM Cc1cc(C#N)c(F)cc1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190632311 1292256995 /nfs/dbraw/zinc/25/69/95/1292256995.db2.gz IYRUDSWGNNVIMN-UHFFFAOYSA-N -1 1 349.325 2.816 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC001190647801 1292263985 /nfs/dbraw/zinc/26/39/85/1292263985.db2.gz AZZLOWXEJFJMHU-UHFFFAOYSA-N -1 1 330.262 2.915 20 30 EFEDMM COc1cc(NS(=O)(=O)c2cc(C#N)ccc2F)ccc1[S-] ZINC001190655752 1292268507 /nfs/dbraw/zinc/26/85/07/1292268507.db2.gz OBBGASJSCAKRSR-UHFFFAOYSA-N -1 1 338.385 2.795 20 30 EFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2[O-])C[C@H](F)C1 ZINC001233384078 1312918215 /nfs/dbraw/zinc/91/82/15/1312918215.db2.gz GJAUKHZPWHRMCL-HNNXBMFYSA-N -1 1 349.406 2.655 20 30 EFEDMM CCC1(NC(=O)OC(C)(C)C)CN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233387233 1312919631 /nfs/dbraw/zinc/91/96/31/1312919631.db2.gz ARLAQOQTCYWYOV-UHFFFAOYSA-N -1 1 331.416 2.753 20 30 EFEDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2[O-])C[C@@H]1F ZINC001233387112 1312920485 /nfs/dbraw/zinc/92/04/85/1312920485.db2.gz VIBZMFUDOKUTNJ-LSDHHAIUSA-N -1 1 349.406 2.701 20 30 EFEDMM CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1ccc(C#N)cc1[O-] ZINC001233387905 1312921257 /nfs/dbraw/zinc/92/12/57/1312921257.db2.gz DBZSPOAPHGMLNQ-INIZCTEOSA-N -1 1 346.427 2.587 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CO)c2F)c1 ZINC001190969762 1292403557 /nfs/dbraw/zinc/40/35/57/1292403557.db2.gz LRZJYPAAWLNJAC-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM COC(=O)C1(C#N)CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419833 1312928875 /nfs/dbraw/zinc/92/88/75/1312928875.db2.gz OBVLRSDAMJSJIX-UHFFFAOYSA-N -1 1 342.317 2.690 20 30 EFEDMM COc1cccc([N-]C(=O)c2nc(Cc3ccccc3)no2)c1C#N ZINC001192275859 1292853965 /nfs/dbraw/zinc/85/39/65/1292853965.db2.gz GRVBGHXFKDCJSR-UHFFFAOYSA-N -1 1 334.335 2.793 20 30 EFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881906015 1293048500 /nfs/dbraw/zinc/04/85/00/1293048500.db2.gz BBCSAUWAQSCTPS-SSDOTTSWSA-N -1 1 328.743 2.997 20 30 EFEDMM C#CCCCC[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881985970 1293069440 /nfs/dbraw/zinc/06/94/40/1293069440.db2.gz AILZSKAZRNLHKA-UHFFFAOYSA-N -1 1 340.754 2.836 20 30 EFEDMM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cnccc2Cl)c1F ZINC001192893905 1293091476 /nfs/dbraw/zinc/09/14/76/1293091476.db2.gz MRTQMLSETFAFAK-UHFFFAOYSA-N -1 1 329.715 2.686 20 30 EFEDMM CCCCCCC[C@H](C)NC(=O)NCC[N-]C(=O)C(F)(F)F ZINC001192944332 1293104869 /nfs/dbraw/zinc/10/48/69/1293104869.db2.gz NVYKAYLQGWWZGC-NSHDSACASA-N -1 1 325.375 2.713 20 30 EFEDMM Cc1ccccc1-n1nc(C(C)(C)C)cc1[N-]S(=O)(=O)CC#N ZINC001192943546 1293105882 /nfs/dbraw/zinc/10/58/82/1293105882.db2.gz QOQCUEVORBSVHE-UHFFFAOYSA-N -1 1 332.429 2.744 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccnn1-c1cccc(C(F)(F)F)c1 ZINC001193111620 1293174016 /nfs/dbraw/zinc/17/40/16/1293174016.db2.gz JICDVWLRESSIOS-SECBINFHSA-N -1 1 344.318 2.545 20 30 EFEDMM C=CCOc1ccccc1[C@H](C)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233758259 1312984395 /nfs/dbraw/zinc/98/43/95/1312984395.db2.gz JHYAVHABEGEBFX-NSHDSACASA-N -1 1 330.340 2.674 20 30 EFEDMM N#CC1(NC(=O)c2ccc(O)c([O-])c2Cl)Cc2ccccc2C1 ZINC001193255464 1293216185 /nfs/dbraw/zinc/21/61/85/1293216185.db2.gz YKJPUPHQLWIGPY-UHFFFAOYSA-N -1 1 328.755 2.542 20 30 EFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(CC#N)c2)c1 ZINC001193434960 1293308735 /nfs/dbraw/zinc/30/87/35/1293308735.db2.gz TVYJMTMBTKZWNT-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM N#Cc1cc(C(=O)N(Cc2cnc[nH]2)Cc2ccccc2)ccc1[O-] ZINC001193504180 1293335849 /nfs/dbraw/zinc/33/58/49/1293335849.db2.gz OIBAXKPUMWWGFX-UHFFFAOYSA-N -1 1 332.363 2.830 20 30 EFEDMM COC(=O)[C@@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccccc1F ZINC001233803304 1312995509 /nfs/dbraw/zinc/99/55/09/1312995509.db2.gz NJROUQZZQRKFGM-JJLFXSABSA-N -1 1 333.315 2.936 20 30 EFEDMM O=C(/C=C/NC(=O)c1ccc([O-])cc1C(F)(F)F)C(F)(F)F ZINC001193758464 1293437889 /nfs/dbraw/zinc/43/78/89/1293437889.db2.gz SDOOVPLBCFPFCB-ONEGZZNKSA-N -1 1 327.180 2.786 20 30 EFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131070341 1293475057 /nfs/dbraw/zinc/47/50/57/1293475057.db2.gz YEACSAYJJXLQKJ-GFCCVEGCSA-N -1 1 344.714 2.604 20 30 EFEDMM COC(=O)N=C([N-]C(=O)OC(C)(C)C)c1ccc(C(=O)OC)cc1 ZINC001193929988 1293480205 /nfs/dbraw/zinc/48/02/05/1293480205.db2.gz JXMLXRXWMNRABU-UHFFFAOYSA-N -1 1 336.344 2.511 20 30 EFEDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000132326433 1293651575 /nfs/dbraw/zinc/65/15/75/1293651575.db2.gz WSBKOOIQEIRHIS-UHFFFAOYSA-N -1 1 349.343 2.909 20 30 EFEDMM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)C2CCC(=O)CC2)c1 ZINC001194803858 1293719673 /nfs/dbraw/zinc/71/96/73/1293719673.db2.gz IFCAIGDMYDOSBD-UHFFFAOYSA-N -1 1 346.330 2.830 20 30 EFEDMM N#CCCN1CC(Oc2ccc(CC(=O)c3ccc([O-])cc3)cc2)C1 ZINC001233942507 1313022792 /nfs/dbraw/zinc/02/27/92/1313022792.db2.gz YHUADFHTZGJCBL-UHFFFAOYSA-N -1 1 336.391 2.794 20 30 EFEDMM CCOC(=O)c1cc([O-])c(Br)c(O[C@H]2C=CC(=O)C2)c1 ZINC001234061822 1313049021 /nfs/dbraw/zinc/04/90/21/1313049021.db2.gz WTPIVCUKLPFWBB-JTQLQIEISA-N -1 1 341.157 2.608 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC4(COC4)C3)c2)c1 ZINC001196309261 1294186351 /nfs/dbraw/zinc/18/63/51/1294186351.db2.gz SIBFPWBWMAPIKE-UHFFFAOYSA-N -1 1 334.375 2.793 20 30 EFEDMM Cc1c(Br)ccnc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001196274249 1294188092 /nfs/dbraw/zinc/18/80/92/1294188092.db2.gz XXEKAPKWUJZGFB-UHFFFAOYSA-N -1 1 349.188 2.592 20 30 EFEDMM Cc1c[nH]c(CCNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n1 ZINC001196319755 1294196636 /nfs/dbraw/zinc/19/66/36/1294196636.db2.gz DXHZNGZIFUZVRN-UHFFFAOYSA-N -1 1 346.390 2.935 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NC3(C#N)CCOCC3)c2)c1 ZINC001196330307 1294199140 /nfs/dbraw/zinc/19/91/40/1294199140.db2.gz OHCWMZUBDZRYKR-UHFFFAOYSA-N -1 1 347.374 2.733 20 30 EFEDMM C#C[C@H](CC)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124773 1313061476 /nfs/dbraw/zinc/06/14/76/1313061476.db2.gz KWWKESVHMOUUKJ-SNVBAGLBSA-N -1 1 326.304 2.854 20 30 EFEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc[nH]c(=O)c1Cl ZINC001196651607 1294320901 /nfs/dbraw/zinc/32/09/01/1294320901.db2.gz HBTLXCGEDOVBAJ-UHFFFAOYSA-N -1 1 344.179 2.766 20 30 EFEDMM COc1cnc(Br)cc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001197167100 1294472420 /nfs/dbraw/zinc/47/24/20/1294472420.db2.gz VPUZRQIJOICVMM-UHFFFAOYSA-N -1 1 348.156 2.682 20 30 EFEDMM C=CCOC[C@H]1CCC[C@@]12CN(Cc1ccc(C(=O)[O-])cc1)CCO2 ZINC001204154194 1313092175 /nfs/dbraw/zinc/09/21/75/1313092175.db2.gz FZTVPUBMDDUITM-UYAOXDASSA-N -1 1 345.439 2.959 20 30 EFEDMM N#Cc1cccc(Cl)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778262 1295249382 /nfs/dbraw/zinc/24/93/82/1295249382.db2.gz FSNOWZUEAZSVTJ-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM COC(=O)c1ccccc1NC(=S)Nc1ccc(C#N)cc1[O-] ZINC001198980137 1295373349 /nfs/dbraw/zinc/37/33/49/1295373349.db2.gz IWCCZISDQLAABO-UHFFFAOYSA-N -1 1 327.365 2.859 20 30 EFEDMM N#Cc1ccc(CCNC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC001412860908 1295451574 /nfs/dbraw/zinc/45/15/74/1295451574.db2.gz IPBFNKYSRFGNMB-UHFFFAOYSA-N -1 1 345.196 2.999 20 30 EFEDMM N#Cc1cc(NC(=O)c2nccn2Cc2ccccc2F)ccc1[O-] ZINC001199466952 1295531188 /nfs/dbraw/zinc/53/11/88/1295531188.db2.gz FPGMEMNSVQVRIB-UHFFFAOYSA-N -1 1 336.326 2.900 20 30 EFEDMM COc1ccc(Cn2cnc(C(=O)Nc3ccc(C#N)cc3[O-])c2)cc1 ZINC001199481484 1295557902 /nfs/dbraw/zinc/55/79/02/1295557902.db2.gz UDKKTCXWQWMFIF-UHFFFAOYSA-N -1 1 348.362 2.770 20 30 EFEDMM C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=O)c(F)cc2C(=O)OC)C(C)(C)O1 ZINC001234607187 1313166920 /nfs/dbraw/zinc/16/69/20/1313166920.db2.gz ZEBTWYSHCPFEAY-PXAZEXFGSA-N -1 1 339.363 2.994 20 30 EFEDMM C=CCSc1ncccc1C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001199735376 1295739273 /nfs/dbraw/zinc/73/92/73/1295739273.db2.gz ANGRMHNUCZYGCV-UHFFFAOYSA-N -1 1 332.385 2.512 20 30 EFEDMM C#C[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)cc1O)O2 ZINC001234751952 1313188632 /nfs/dbraw/zinc/18/86/32/1313188632.db2.gz RRDRWGXXJZGQFS-QFYYESIMSA-N -1 1 340.331 2.910 20 30 EFEDMM C[C@H](CS)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749685 1313188645 /nfs/dbraw/zinc/18/86/45/1313188645.db2.gz SPQYPSKCQMTLCK-SSDOTTSWSA-N -1 1 334.349 2.760 20 30 EFEDMM C#C[C@@H](C)Oc1cc([O-])cc2oc3c(ccc(O)c3OC)c(=O)c12 ZINC001234749618 1313188796 /nfs/dbraw/zinc/18/87/96/1313188796.db2.gz RHKOWKSEGJBGQZ-SECBINFHSA-N -1 1 326.304 2.767 20 30 EFEDMM N#CCCCN1CC[C@]2(CCCN2Cc2cc([O-])c(F)c(F)c2)C1=O ZINC001274808103 1296182690 /nfs/dbraw/zinc/18/26/90/1296182690.db2.gz QCCSVGSDCIQTKK-GOSISDBHSA-N -1 1 349.381 2.541 20 30 EFEDMM N#Cc1ccc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000803833465 1313226133 /nfs/dbraw/zinc/22/61/33/1313226133.db2.gz VTWGTZHMBMZJPK-UHFFFAOYSA-N -1 1 331.711 2.663 20 30 EFEDMM N#CC1(C[N-]S(=O)(=O)c2c(F)cccc2Br)CCC1 ZINC001201011172 1296539543 /nfs/dbraw/zinc/53/95/43/1296539543.db2.gz AFJGKDKJCFMFLN-UHFFFAOYSA-N -1 1 347.209 2.560 20 30 EFEDMM CC(C)(C)C#CC[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201059435 1296541463 /nfs/dbraw/zinc/54/14/63/1296541463.db2.gz LXYXGTUXTKFDIJ-UHFFFAOYSA-N -1 1 348.237 2.916 20 30 EFEDMM N#CCCCC[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201048158 1296562720 /nfs/dbraw/zinc/56/27/20/1296562720.db2.gz NADWHFQXDGQDNZ-UHFFFAOYSA-N -1 1 335.198 2.560 20 30 EFEDMM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201074198 1296577194 /nfs/dbraw/zinc/57/71/94/1296577194.db2.gz XECCYVVLMKEFHI-GFCCVEGCSA-N -1 1 349.225 2.949 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1C#N ZINC001201315993 1296722490 /nfs/dbraw/zinc/72/24/90/1296722490.db2.gz TXFWBHIVCNGKLA-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C)c1 ZINC001201315904 1296722834 /nfs/dbraw/zinc/72/28/34/1296722834.db2.gz PYEUURWIGFPFFG-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C(C)=O)c1 ZINC001201323846 1296729013 /nfs/dbraw/zinc/72/90/13/1296729013.db2.gz NYVUKPUENZCFAG-UHFFFAOYSA-N -1 1 344.392 2.879 20 30 EFEDMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc([O-])cc(C#N)c1 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2.887 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@@H](C2CC2)C1 ZINC000748248109 1313830741 /nfs/dbraw/zinc/83/07/41/1313830741.db2.gz GSYVFRBETRKJDB-GFCCVEGCSA-N -1 1 337.401 2.829 20 30 EFEDMM Cc1cccc2c1CCC2=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248336 1313831453 /nfs/dbraw/zinc/83/14/53/1313831453.db2.gz LMKWOFQRNKLYEI-UHFFFAOYSA-N -1 1 345.380 2.532 20 30 EFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000748248846 1313831483 /nfs/dbraw/zinc/83/14/83/1313831483.db2.gz ZQZNBNTYOXEYHE-UHFFFAOYSA-N -1 1 347.396 2.914 20 30 EFEDMM Cc1ccc(C)c(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000748254637 1313833695 /nfs/dbraw/zinc/83/36/95/1313833695.db2.gz DIFOAYHBRZXBDI-UHFFFAOYSA-N -1 1 333.369 2.524 20 30 EFEDMM C[C@@H]1C[C@H]1c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000748255483 1313834541 /nfs/dbraw/zinc/83/45/41/1313834541.db2.gz VZFCIGREDGSEOV-ZYHUDNBSSA-N -1 1 349.368 2.624 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 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Cc1cccc2cc(C(=O)N=C3[N-]S(=O)(=O)c4ccccc43)oc21 ZINC001318207757 1328527673 /nfs/dbraw/zinc/52/76/73/1328527673.db2.gz PJORULDZNIQDEK-UHFFFAOYSA-N -1 1 340.360 2.620 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000119518943 1314654880 /nfs/dbraw/zinc/65/48/80/1314654880.db2.gz HLEKUAOTGLNPRS-SECBINFHSA-N -1 1 337.382 2.567 20 30 EFEDMM C=C1CC[NH2+]C[C@@H]1Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001218205001 1315163330 /nfs/dbraw/zinc/16/33/30/1315163330.db2.gz UJYREFKDDUTLMJ-KRWDZBQOSA-N -1 1 339.347 2.654 20 30 EFEDMM C=C(C)CN1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001054038681 1315203243 /nfs/dbraw/zinc/20/32/43/1315203243.db2.gz JGMHMUNTYOQPEW-KRWDZBQOSA-N -1 1 337.423 2.520 20 30 EFEDMM N#Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001251389813 1315345597 /nfs/dbraw/zinc/34/55/97/1315345597.db2.gz JOISYISLDYRMCQ-UHFFFAOYSA-N -1 1 344.179 2.766 20 30 EFEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)cc1 ZINC001251841283 1315381305 /nfs/dbraw/zinc/38/13/05/1315381305.db2.gz NICZZYPPQFOVPC-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1F ZINC001256067404 1315898830 /nfs/dbraw/zinc/89/88/30/1315898830.db2.gz MVDFYTDTIFODLW-UHFFFAOYSA-N -1 1 330.262 2.915 20 30 EFEDMM N#CCOc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC001256628024 1315971402 /nfs/dbraw/zinc/97/14/02/1315971402.db2.gz YZYHAAGWAXHTQI-UHFFFAOYSA-N -1 1 339.376 2.938 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C#N ZINC001256796553 1315992380 /nfs/dbraw/zinc/99/23/80/1315992380.db2.gz ZKKNNZXLIVSKIN-UHFFFAOYSA-N -1 1 349.799 2.971 20 30 EFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC001257786022 1316092883 /nfs/dbraw/zinc/09/28/83/1316092883.db2.gz TXZHINKKXKEQEF-UHFFFAOYSA-N -1 1 331.180 2.937 20 30 EFEDMM C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)c1ncccc1[O-] ZINC001040107056 1316099685 /nfs/dbraw/zinc/09/96/85/1316099685.db2.gz SODNAMMPIYQALT-FZMZJTMJSA-N -1 1 340.358 2.513 20 30 EFEDMM N#CC1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCCCCC1 ZINC001259081439 1316206217 /nfs/dbraw/zinc/20/62/17/1316206217.db2.gz UPMIRMPXHKVNEI-UHFFFAOYSA-N -1 1 332.347 2.999 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CCC3)c1 ZINC001259125339 1316212225 /nfs/dbraw/zinc/21/22/25/1316212225.db2.gz WJFNTYZCJDBWNV-QGZVFWFLSA-N -1 1 328.393 2.729 20 30 EFEDMM COC(Cc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1)OC ZINC001259124849 1316212410 /nfs/dbraw/zinc/21/24/10/1316212410.db2.gz UIYSCWJWYJDSRJ-UHFFFAOYSA-N -1 1 346.408 2.520 20 30 EFEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC001259125081 1316212448 /nfs/dbraw/zinc/21/24/48/1316212448.db2.gz KGWZENFRAUBFKJ-UHFFFAOYSA-N -1 1 344.392 2.763 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CC3)cc2)c1 ZINC001259126075 1316212799 /nfs/dbraw/zinc/21/27/99/1316212799.db2.gz JYPVRWQMGHJTNX-UHFFFAOYSA-N -1 1 326.377 2.952 20 30 EFEDMM COc1cccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)c1 ZINC001259190148 1316217816 /nfs/dbraw/zinc/21/78/16/1316217816.db2.gz YCPZVIDWBUKDHO-UHFFFAOYSA-N -1 1 345.420 2.618 20 30 EFEDMM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001259204293 1316219856 /nfs/dbraw/zinc/21/98/56/1316219856.db2.gz LXKZUEIQVWKBMY-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)OC)cc2)c1 ZINC001259323331 1316230547 /nfs/dbraw/zinc/23/05/47/1316230547.db2.gz MGBFBKISXOCCNI-UHFFFAOYSA-N -1 1 343.404 2.574 20 30 EFEDMM Cc1nc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)nc1C ZINC001259412527 1316239295 /nfs/dbraw/zinc/23/92/95/1316239295.db2.gz BOUNZPDTLARIPV-UHFFFAOYSA-N -1 1 340.767 2.558 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)ccc1F ZINC001259417141 1316239806 /nfs/dbraw/zinc/23/98/06/1316239806.db2.gz JHGVKQZSKRLGSS-UHFFFAOYSA-N -1 1 344.327 2.548 20 30 EFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1 ZINC001259417760 1316240191 /nfs/dbraw/zinc/24/01/91/1316240191.db2.gz ZPFWRSGVWQZTDF-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM CC1(c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2)COC1 ZINC001259419512 1316240297 /nfs/dbraw/zinc/24/02/97/1316240297.db2.gz CXCLQBJYIYYEPR-UHFFFAOYSA-N -1 1 346.383 2.786 20 30 EFEDMM N#CCc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1F ZINC001259419631 1316240312 /nfs/dbraw/zinc/24/03/12/1316240312.db2.gz LKDNYNIJVIQMBW-UHFFFAOYSA-N -1 1 333.319 2.703 20 30 EFEDMM COC(=O)c1cc(C)cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259418485 1316240567 /nfs/dbraw/zinc/24/05/67/1316240567.db2.gz DXFAWDCTIGEGCF-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C3OCCO3)c2)ccc1F ZINC001259417817 1316240579 /nfs/dbraw/zinc/24/05/79/1316240579.db2.gz RUKQALBJKBIUTM-UHFFFAOYSA-N -1 1 348.355 2.544 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)C(F)(F)F)ccc1F ZINC001259420774 1316240737 /nfs/dbraw/zinc/24/07/37/1316240737.db2.gz KBVKXEGFNDCXSP-GFCCVEGCSA-N -1 1 336.310 2.707 20 30 EFEDMM N#CCc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259500749 1316252111 /nfs/dbraw/zinc/25/21/11/1316252111.db2.gz DFFSXMZIXDKQTL-UHFFFAOYSA-N -1 1 326.299 2.971 20 30 EFEDMM N#Cc1ncc([N-]S(=O)(=O)CCC(F)(F)F)cc1C(F)(F)F ZINC001259866612 1316289723 /nfs/dbraw/zinc/28/97/23/1316289723.db2.gz IHRUVWHEEGULLB-UHFFFAOYSA-N -1 1 347.240 2.666 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1ccc(Br)c2cccnc12 ZINC001259929714 1316299004 /nfs/dbraw/zinc/29/90/04/1316299004.db2.gz QXVHUDJZANXIMP-UHFFFAOYSA-N -1 1 327.203 2.925 20 30 EFEDMM C=CCS(=O)(=O)[N-]c1cccc2sc(Br)nc21 ZINC001259932036 1316299360 /nfs/dbraw/zinc/29/93/60/1316299360.db2.gz OVJNUQADGBJUMN-UHFFFAOYSA-N -1 1 333.232 2.987 20 30 EFEDMM N#Cc1cnc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)c1 ZINC001260005161 1316305166 /nfs/dbraw/zinc/30/51/66/1316305166.db2.gz UJZWMNXJYVEQKQ-UHFFFAOYSA-N -1 1 344.783 2.956 20 30 EFEDMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001260297382 1316329822 /nfs/dbraw/zinc/32/98/22/1316329822.db2.gz ASBVENRNZKJWCY-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccn1 ZINC001260308120 1316331027 /nfs/dbraw/zinc/33/10/27/1316331027.db2.gz DISFCHWUOHREMA-UHFFFAOYSA-N -1 1 327.192 2.592 20 30 EFEDMM N#Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cs1 ZINC001260358098 1316334650 /nfs/dbraw/zinc/33/46/50/1316334650.db2.gz XANNOWKEHZRNIR-UHFFFAOYSA-N -1 1 332.328 2.516 20 30 EFEDMM N#Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1F ZINC001260356059 1316334785 /nfs/dbraw/zinc/33/47/85/1316334785.db2.gz BFOAUFYEKGYAMA-UHFFFAOYSA-N -1 1 344.289 2.593 20 30 EFEDMM N#CCc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC001260452756 1316339888 /nfs/dbraw/zinc/33/98/88/1316339888.db2.gz UIKCZNIYDHGHDO-UHFFFAOYSA-N -1 1 340.360 2.660 20 30 EFEDMM N#Cc1c(F)cc([N-]S(=O)(=O)Cc2ccccc2F)cc1F ZINC001260628135 1316350324 /nfs/dbraw/zinc/35/03/24/1316350324.db2.gz HKXSHFQLERDMRI-UHFFFAOYSA-N -1 1 326.299 2.917 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2c(F)cccc2-n2cccn2)cc1[O-] ZINC001298008064 1323409564 /nfs/dbraw/zinc/40/95/64/1323409564.db2.gz NYAFRWFOXUXKDB-UHFFFAOYSA-N -1 1 336.326 2.519 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@H](C)C1 ZINC001338862243 1331749010 /nfs/dbraw/zinc/74/90/10/1331749010.db2.gz CKNSOYYZSJQXMJ-GFCCVEGCSA-N -1 1 340.431 2.740 20 30 EFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)[C@H](C)CC#N ZINC001339097090 1331790842 /nfs/dbraw/zinc/79/08/42/1331790842.db2.gz LOXQKKVZPRCMPV-SNVBAGLBSA-N -1 1 332.795 2.623 20 30 EFEDMM CCOC(=O)COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC001340251458 1332161024 /nfs/dbraw/zinc/16/10/24/1332161024.db2.gz UGQGRBDCPFZTCJ-UITAMQMPSA-N -1 1 342.347 2.936 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@H](C)CCSCC ZINC001340372011 1332182910 /nfs/dbraw/zinc/18/29/10/1332182910.db2.gz DQMRQRZSPFCSPC-LLVKDONJSA-N -1 1 336.465 2.528 20 30 EFEDMM C=CCN(CC=C)c1nnc(-c2cc(Cl)ncc2[O-])n1CCOC ZINC001341347289 1332252972 /nfs/dbraw/zinc/25/29/72/1332252972.db2.gz MJBBTKYMGVBVFQ-UHFFFAOYSA-N -1 1 349.822 2.524 20 30 EFEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(CC(F)(F)F)n1 ZINC001341723407 1332280170 /nfs/dbraw/zinc/28/01/70/1332280170.db2.gz GMGLQVWYKVJIEA-JTQLQIEISA-N -1 1 347.300 2.822 20 30 EFEDMM CN(C)c1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001341921571 1332288250 /nfs/dbraw/zinc/28/82/50/1332288250.db2.gz WBNJWXMKSDNERP-OAHLLOKOSA-N -1 1 331.379 2.768 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C)[C@H]1C ZINC001342040315 1332297479 /nfs/dbraw/zinc/29/74/79/1332297479.db2.gz PBHBJYJYNOUFRY-VXGBXAGGSA-N -1 1 340.431 2.739 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001342178266 1332313722 /nfs/dbraw/zinc/31/37/22/1332313722.db2.gz WSESEEVHQXMZDD-CHWSQXEVSA-N -1 1 328.420 2.576 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001342178268 1332313855 /nfs/dbraw/zinc/31/38/55/1332313855.db2.gz WSESEEVHQXMZDD-OLZOCXBDSA-N -1 1 328.420 2.576 20 30 EFEDMM CCn1ccnc1C(C#N)=C([O-])c1ccn(CCc2ccccc2)n1 ZINC001347337626 1332735545 /nfs/dbraw/zinc/73/55/45/1332735545.db2.gz KVHPWVHCXCNNHF-INIZCTEOSA-N -1 1 333.395 2.832 20 30 EFEDMM CCn1ccnc1C(C#N)=C([O-])c1cnn2c1nc(C)cc2C(F)F ZINC001349701738 1332986559 /nfs/dbraw/zinc/98/65/59/1332986559.db2.gz JICJSJHQEXSYKL-JTQLQIEISA-N -1 1 344.325 2.682 20 30 EFEDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1(C#N)CCCCC1 ZINC000848341295 1334670811 /nfs/dbraw/zinc/67/08/11/1334670811.db2.gz BNRAIQSFGGYPEH-VXGBXAGGSA-N -1 1 345.365 2.518 20 30 EFEDMM CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2cccc(F)n2)c(=O)[n-]1 ZINC001357599036 1335319721 /nfs/dbraw/zinc/31/97/21/1335319721.db2.gz OMBTUZFJZNHREM-NSHDSACASA-N -1 1 346.387 2.556 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OC3CC3)c2F)c(=O)o1 ZINC000849241719 1335575195 /nfs/dbraw/zinc/57/51/95/1335575195.db2.gz LTRYREXNZIXMEQ-CDVVCGDMSA-N -1 1 330.311 2.595 20 30 EFEDMM COCCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC001362021202 1336467680 /nfs/dbraw/zinc/46/76/80/1336467680.db2.gz UUWBBUKKLCCOAR-UHFFFAOYSA-N -1 1 346.333 2.831 20 30 EFEDMM CSc1nc(CNc2nc(C(F)(F)F)ccc2C#N)cc(=O)[n-]1 ZINC001363746714 1337022049 /nfs/dbraw/zinc/02/20/49/1337022049.db2.gz XGNLXWJDJWKJFV-UHFFFAOYSA-N -1 1 341.318 2.802 20 30 EFEDMM N#Cc1cnc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c(Cl)c1 ZINC001417574442 1373051064 /nfs/dbraw/zinc/05/10/64/1373051064.db2.gz BQBIHJHTABDGKQ-VIFPVBQESA-N -1 1 335.776 2.562 20 30 EFEDMM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1 ZINC001434308647 1387127091 /nfs/dbraw/zinc/12/70/91/1387127091.db2.gz OBPJYVVVBSRARV-MRXNPFEDSA-N -1 1 338.363 2.607 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(F)c([O-])c3)CCO2)c1 ZINC001466609562 1396765457 /nfs/dbraw/zinc/76/54/57/1396765457.db2.gz RCSGYGKFRPNIQI-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1ccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC001475488466 1397430117 /nfs/dbraw/zinc/43/01/17/1397430117.db2.gz BKCGVRFDYILKIO-UHFFFAOYSA-N -1 1 326.377 2.825 20 30 EFEDMM CCC(CC)CN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825106476 1427283566 /nfs/dbraw/zinc/28/35/66/1427283566.db2.gz CYNOVHVKQJJLOU-UHFFFAOYSA-N -1 1 343.391 2.931 20 30 EFEDMM C[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735503230 1428333861 /nfs/dbraw/zinc/33/38/61/1428333861.db2.gz JKTMDZAHZYQLQP-NSHDSACASA-N -1 1 335.323 2.728 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(F)cc(F)c2)o1 ZINC000824141587 1428350373 /nfs/dbraw/zinc/35/03/73/1428350373.db2.gz KIQZRNCICJRHKJ-UHFFFAOYSA-N -1 1 347.329 2.876 20 30 EFEDMM O=[N+]([O-])c1ccc(N=NCc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000823640118 1428374484 /nfs/dbraw/zinc/37/44/84/1428374484.db2.gz UAIBLTMVAQXYNR-UHFFFAOYSA-N -1 1 349.763 2.936 20 30 EFEDMM O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000823640118 1428374488 /nfs/dbraw/zinc/37/44/88/1428374488.db2.gz UAIBLTMVAQXYNR-UHFFFAOYSA-N -1 1 349.763 2.936 20 30 EFEDMM O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000823640118 1428374493 /nfs/dbraw/zinc/37/44/93/1428374493.db2.gz UAIBLTMVAQXYNR-UHFFFAOYSA-N -1 1 349.763 2.936 20 30 EFEDMM Cc1cc(F)ccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826268898 1428453547 /nfs/dbraw/zinc/45/35/47/1428453547.db2.gz SCWKPOJRGJBVJG-UHFFFAOYSA-N -1 1 331.742 2.809 20 30 EFEDMM Cc1cc(F)ccc1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826268898 1428453552 /nfs/dbraw/zinc/45/35/52/1428453552.db2.gz SCWKPOJRGJBVJG-UHFFFAOYSA-N -1 1 331.742 2.809 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N)cc1 ZINC000823958488 1428688229 /nfs/dbraw/zinc/68/82/29/1428688229.db2.gz OVNLFQFHDXQENN-UHFFFAOYSA-N -1 1 327.779 2.938 20 30 EFEDMM N#CC1(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CCCCC1 ZINC000822801688 1428818178 /nfs/dbraw/zinc/81/81/78/1428818178.db2.gz MKOBWOOEAKMNTM-UHFFFAOYSA-N -1 1 329.335 2.523 20 30 EFEDMM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826281261 1428891666 /nfs/dbraw/zinc/89/16/66/1428891666.db2.gz KZPDEILPMKDQRF-CMDGGOBGSA-N -1 1 335.323 2.979 20 30 EFEDMM C[C@H](C#N)Oc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824034771 1428975250 /nfs/dbraw/zinc/97/52/50/1428975250.db2.gz OUAWGMPCEHHEIE-LLVKDONJSA-N -1 1 338.346 2.909 20 30 EFEDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC001645773203 1416555947 /nfs/dbraw/zinc/55/59/47/1416555947.db2.gz CEMHCVHIZZFYEY-UHFFFAOYSA-N -1 1 332.372 2.582 20 30 EFEDMM CC(C)n1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000820211381 1429266521 /nfs/dbraw/zinc/26/65/21/1429266521.db2.gz KRCNKILSYPUTER-AATRIKPKSA-N -1 1 326.335 2.679 20 30 EFEDMM C#CCCCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000819693179 1429428989 /nfs/dbraw/zinc/42/89/89/1429428989.db2.gz OKKGFOVVPVZYEK-UHFFFAOYSA-N -1 1 326.791 2.706 20 30 EFEDMM C=C[C@@H](CC)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000823882977 1429485823 /nfs/dbraw/zinc/48/58/23/1429485823.db2.gz HLFWSTSZNQQAOA-NSHDSACASA-N -1 1 327.344 2.680 20 30 EFEDMM C#Cc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735387904 1429582361 /nfs/dbraw/zinc/58/23/61/1429582361.db2.gz KHCKTBYZJNSFFY-UHFFFAOYSA-N -1 1 346.394 2.546 20 30 EFEDMM C#CCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(F)cc1 ZINC000823845426 1423451496 /nfs/dbraw/zinc/45/14/96/1423451496.db2.gz ROAACBGSUDOVAQ-UHFFFAOYSA-N -1 1 327.388 2.703 20 30 EFEDMM Clc1ccc(C=NOCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826351855 1423455277 /nfs/dbraw/zinc/45/52/77/1423455277.db2.gz DHEFTTJSYFOTPN-UHFFFAOYSA-N -1 1 343.774 2.950 20 30 EFEDMM N#CC1(c2ccc(COC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826380806 1423479683 /nfs/dbraw/zinc/47/96/83/1423479683.db2.gz NBABWGBUXSDJTR-UHFFFAOYSA-N -1 1 345.362 2.779 20 30 EFEDMM C=C(C)[C@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823874285 1423529646 /nfs/dbraw/zinc/52/96/46/1423529646.db2.gz UYNLBUIZLNNSST-HNNXBMFYSA-N -1 1 329.404 2.591 20 30 EFEDMM COc1ccc(C)cc1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821783152 1423799115 /nfs/dbraw/zinc/79/91/15/1423799115.db2.gz XPQISCREGBOJAT-UHFFFAOYSA-N -1 1 336.399 2.698 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC[C@H]1C ZINC000823909458 1423939146 /nfs/dbraw/zinc/93/91/46/1423939146.db2.gz FFYGUYULFQIATK-CJNGLKHVSA-N -1 1 325.416 2.818 20 30 EFEDMM C#CCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819693442 1429693767 /nfs/dbraw/zinc/69/37/67/1429693767.db2.gz SDCYMVORFZTYTB-UHFFFAOYSA-N -1 1 337.343 2.539 20 30 EFEDMM CN(Cc1ccc(C#N)cc1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736816668 1424066333 /nfs/dbraw/zinc/06/63/33/1424066333.db2.gz MRSYOIJEZGVZAM-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1-c1nnn[n-]1 ZINC000737706678 1424075523 /nfs/dbraw/zinc/07/55/23/1424075523.db2.gz YAMQXGYFFZMGBL-UHFFFAOYSA-N -1 1 348.341 2.548 20 30 EFEDMM CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820198218 1424119466 /nfs/dbraw/zinc/11/94/66/1424119466.db2.gz SWONQKZXRTZDAG-LBPRGKRZSA-N -1 1 338.396 2.937 20 30 EFEDMM N#Cc1c(Cl)nsc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822819284 1424144118 /nfs/dbraw/zinc/14/41/18/1424144118.db2.gz NZUMCDZDMVMLDO-UHFFFAOYSA-N -1 1 335.755 2.599 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000826480515 1424564582 /nfs/dbraw/zinc/56/45/82/1424564582.db2.gz FLOWNSWUOGMYCJ-RMKNXTFCSA-N -1 1 345.362 2.648 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000826401791 1424626076 /nfs/dbraw/zinc/62/60/76/1424626076.db2.gz HBNOVZFYOYADNG-FNORWQNLSA-N -1 1 334.335 2.534 20 30 EFEDMM C=C(C)[C@H]1CC=C(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000819722406 1424840000 /nfs/dbraw/zinc/84/00/00/1424840000.db2.gz IOMULXRWPXAVLZ-ZDUSSCGKSA-N -1 1 325.372 2.721 20 30 EFEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826379781 1425055872 /nfs/dbraw/zinc/05/58/72/1425055872.db2.gz BIDYADYKSRCTMI-SJLPKXTDSA-N -1 1 345.410 2.533 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC=CCC1 ZINC000735420717 1425063585 /nfs/dbraw/zinc/06/35/85/1425063585.db2.gz QYQATIPSRBKQTH-INIZCTEOSA-N -1 1 338.415 2.673 20 30 EFEDMM CC#CCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823942739 1425065535 /nfs/dbraw/zinc/06/55/35/1425065535.db2.gz IHRQJBWPBSSBKX-UHFFFAOYSA-N -1 1 349.419 2.771 20 30 EFEDMM C#Cc1cccc(N(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735390043 1425072894 /nfs/dbraw/zinc/07/28/94/1425072894.db2.gz NKGRXUDJCAGSEO-UHFFFAOYSA-N -1 1 345.406 2.832 20 30 EFEDMM C=CCN(Cc1coc(C2CC2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914360 1425105192 /nfs/dbraw/zinc/10/51/92/1425105192.db2.gz HJJZTWZLGPTSRY-UHFFFAOYSA-N -1 1 336.399 2.920 20 30 EFEDMM CCN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377200 1425134551 /nfs/dbraw/zinc/13/45/51/1425134551.db2.gz WOHLXTKQQFKSGU-UHFFFAOYSA-N -1 1 346.394 2.528 20 30 EFEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(F)c1 ZINC000737807016 1425338785 /nfs/dbraw/zinc/33/87/85/1425338785.db2.gz MXVOQFQDEHWYQR-WAYWQWQTSA-N -1 1 334.314 2.550 20 30 EFEDMM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC000822801949 1425358159 /nfs/dbraw/zinc/35/81/59/1425358159.db2.gz RZRVITIMCHMRDB-NSHDSACASA-N -1 1 344.787 2.576 20 30 EFEDMM C[C@H](OC(=O)c1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163323 1425611493 /nfs/dbraw/zinc/61/14/93/1425611493.db2.gz MYXMVSXZXKNJEC-LBPRGKRZSA-N -1 1 333.351 2.851 20 30 EFEDMM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819697882 1425896815 /nfs/dbraw/zinc/89/68/15/1425896815.db2.gz NBVKGBAQXXIJKV-ZDUSSCGKSA-N -1 1 338.415 2.515 20 30 EFEDMM O=[N+]([O-])c1ccccc1N=NC1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823646929 1425943053 /nfs/dbraw/zinc/94/30/53/1425943053.db2.gz DEBKPWGAVVYCOA-UHFFFAOYSA-N -1 1 349.354 2.927 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826384106 1426012492 /nfs/dbraw/zinc/01/24/92/1426012492.db2.gz HCJLXAUBCZFPBP-HWKANZROSA-N -1 1 325.328 2.835 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000821566521 1426094069 /nfs/dbraw/zinc/09/40/69/1426094069.db2.gz IEXKWYOSYFJJKW-FPLPWBNLSA-N -1 1 340.362 2.735 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(F)c1 ZINC000823958351 1426295526 /nfs/dbraw/zinc/29/55/26/1426295526.db2.gz KOTLVXOXMZPSNH-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(F)c1 ZINC000823958351 1426295531 /nfs/dbraw/zinc/29/55/31/1426295531.db2.gz KOTLVXOXMZPSNH-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM N#Cc1ccc(F)cc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822829852 1426407708 /nfs/dbraw/zinc/40/77/08/1426407708.db2.gz MAPFKLBIWMTOCT-VURMDHGXSA-N -1 1 349.325 2.634 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)OCC ZINC000823873314 1426464265 /nfs/dbraw/zinc/46/42/65/1426464265.db2.gz KZTMNCLIDQDIFG-OAHLLOKOSA-N -1 1 345.403 2.575 20 30 EFEDMM COCCC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000736976340 1426539786 /nfs/dbraw/zinc/53/97/86/1426539786.db2.gz KGYXZOMFEPFAFZ-UHFFFAOYSA-N -1 1 340.362 2.859 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826257346 1426544973 /nfs/dbraw/zinc/54/49/73/1426544973.db2.gz YKYXMZHHGKIJQS-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM N#Cc1cc(NC(=O)c2sccc2C2CC2)ccc1-c1nnn[n-]1 ZINC000737709523 1426586231 /nfs/dbraw/zinc/58/62/31/1426586231.db2.gz LNDUKAUDHMCWIS-UHFFFAOYSA-N -1 1 336.380 2.930 20 30 EFEDMM N#Cc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000737716238 1426631277 /nfs/dbraw/zinc/63/12/77/1426631277.db2.gz NHJMHLNJGRVNEP-UHFFFAOYSA-N -1 1 344.334 2.666 20 30 EFEDMM FC(F)Oc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822737232 1426671913 /nfs/dbraw/zinc/67/19/13/1426671913.db2.gz RJYXHHWJAJLBHS-UHFFFAOYSA-N -1 1 336.327 2.976 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2c(O)cccc2Cl)o1 ZINC000824352807 1426695117 /nfs/dbraw/zinc/69/51/17/1426695117.db2.gz ORGIFFHCXQDPIR-UHFFFAOYSA-N -1 1 347.766 2.783 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000826384351 1426707941 /nfs/dbraw/zinc/70/79/41/1426707941.db2.gz RROKHYBNFPKWHC-DJWKRKHSSA-N -1 1 325.328 2.835 20 30 EFEDMM C=CCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735437960 1426788608 /nfs/dbraw/zinc/78/86/08/1426788608.db2.gz VAYBCLVHMLJLBV-UHFFFAOYSA-N -1 1 336.351 2.789 20 30 EFEDMM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820076555 1426902222 /nfs/dbraw/zinc/90/22/22/1426902222.db2.gz MINZRUHCZJQALF-UHFFFAOYSA-N -1 1 327.392 2.660 20 30 EFEDMM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822832556 1426932983 /nfs/dbraw/zinc/93/29/83/1426932983.db2.gz CLNBNNOGDUVFTP-UHFFFAOYSA-N -1 1 343.293 2.919 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(O)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201304 1426942042 /nfs/dbraw/zinc/94/20/42/1426942042.db2.gz CBQHRIHTRZIKHK-BQYQJAHWSA-N -1 1 335.367 2.525 20 30 EFEDMM C#CCN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819698163 1426975648 /nfs/dbraw/zinc/97/56/48/1426975648.db2.gz SWWLJZMZGWYXLN-ZDUSSCGKSA-N -1 1 338.415 2.515 20 30 EFEDMM Cc1ccc(N(CCC#N)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737347025 1427023395 /nfs/dbraw/zinc/02/33/95/1427023395.db2.gz KVPIPSXEJKEFDD-UHFFFAOYSA-N -1 1 346.394 2.665 20 30 EFEDMM Fc1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1F ZINC000826374129 1427251779 /nfs/dbraw/zinc/25/17/79/1427251779.db2.gz MMCIAJFWVCGMEG-UHFFFAOYSA-N -1 1 335.705 2.639 20 30 EFEDMM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000736312557 1427303446 /nfs/dbraw/zinc/30/34/46/1427303446.db2.gz IIBZGTTUEQMLKM-HNNXBMFYSA-N -1 1 332.367 2.871 20 30 EFEDMM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823837339 1427351959 /nfs/dbraw/zinc/35/19/59/1427351959.db2.gz BWIRSJMMKABJLI-UHFFFAOYSA-N -1 1 335.314 2.600 20 30 EFEDMM C#C[C@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823838890 1427352517 /nfs/dbraw/zinc/35/25/17/1427352517.db2.gz WJXAHWXSXUUVLQ-GOSISDBHSA-N -1 1 346.390 2.587 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(F)cc(F)cc21 ZINC000823505317 1427431639 /nfs/dbraw/zinc/43/16/39/1427431639.db2.gz ZWMUQQOYVLWHGN-XVNBXDOJSA-N -1 1 346.318 2.865 20 30 EFEDMM C=C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1O)c1ccccc1 ZINC000823883286 1427467616 /nfs/dbraw/zinc/46/76/16/1427467616.db2.gz NGSQMNJBPSIGBH-GFCCVEGCSA-N -1 1 335.367 2.871 20 30 EFEDMM CCc1cnccc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825734651 1427506422 /nfs/dbraw/zinc/50/64/22/1427506422.db2.gz LYSLAFQWNULGQV-XQRVVYSFSA-N -1 1 335.367 2.729 20 30 EFEDMM CC(C)Oc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735912399 1427640885 /nfs/dbraw/zinc/64/08/85/1427640885.db2.gz BLJFNOXZZTYXIC-UHFFFAOYSA-N -1 1 348.366 2.778 20 30 EFEDMM C=CCN(Cc1ccc(C#N)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914674 1427657562 /nfs/dbraw/zinc/65/75/62/1427657562.db2.gz LPKGOLFLZPKPPD-UHFFFAOYSA-N -1 1 336.424 2.988 20 30 EFEDMM N#Cc1ccc(Sc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737723620 1427682123 /nfs/dbraw/zinc/68/21/23/1427682123.db2.gz ZODMQPZWTKUHQC-UHFFFAOYSA-N -1 1 331.364 2.833 20 30 EFEDMM C#C[C@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823837716 1427688362 /nfs/dbraw/zinc/68/83/62/1427688362.db2.gz GCSLILZDRJKTLS-MRXNPFEDSA-N -1 1 332.363 2.576 20 30 EFEDMM COCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826164319 1427705842 /nfs/dbraw/zinc/70/58/42/1427705842.db2.gz QXZDJSOVIUYAKG-SREVYHEPSA-N -1 1 326.381 2.971 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccc(F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201364 1427712068 /nfs/dbraw/zinc/71/20/68/1427712068.db2.gz DCJHVOUVUUOBCE-TWGQIWQCSA-N -1 1 337.358 2.958 20 30 EFEDMM COc1cccc(OC)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826217735 1427713255 /nfs/dbraw/zinc/71/32/55/1427713255.db2.gz ZVJBTQMETYJVGT-KTKRTIGZSA-N -1 1 336.351 2.780 20 30 EFEDMM C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735408413 1427848495 /nfs/dbraw/zinc/84/84/95/1427848495.db2.gz LBSZVWSDGWTLPW-AWEZNQCLSA-N -1 1 342.447 2.872 20 30 EFEDMM COCC#CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000826146770 1427943662 /nfs/dbraw/zinc/94/36/62/1427943662.db2.gz CMYWDSQVDVYZIL-UHFFFAOYSA-N -1 1 337.408 2.671 20 30 EFEDMM C=C(CC)COC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000823877589 1427965885 /nfs/dbraw/zinc/96/58/85/1427965885.db2.gz AAHGLTJPJBJHGI-UHFFFAOYSA-N -1 1 346.387 2.544 20 30 EFEDMM CC1(C)Cc2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000820607170 1427998992 /nfs/dbraw/zinc/99/89/92/1427998992.db2.gz KZRGPNSVBGMXFE-UHFFFAOYSA-N -1 1 348.410 2.704 20 30 EFEDMM N#Cc1cc(NC(=O)CCCOc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737705246 1428088911 /nfs/dbraw/zinc/08/89/11/1428088911.db2.gz PEEDWRARMHFLPB-UHFFFAOYSA-N -1 1 348.366 2.536 20 30 EFEDMM N#CCc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826382428 1428119393 /nfs/dbraw/zinc/11/93/93/1428119393.db2.gz DODANPJZDUHMOQ-UHFFFAOYSA-N -1 1 338.758 2.838 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc([N+](=O)[O-])c1 ZINC000822928595 1429920456 /nfs/dbraw/zinc/92/04/56/1429920456.db2.gz KVNNHYVQUAKDDY-XQRVVYSFSA-N -1 1 327.325 2.733 20 30 EFEDMM C=CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000819734323 1429965845 /nfs/dbraw/zinc/96/58/45/1429965845.db2.gz LWOPXNXDGJKLIR-OAHLLOKOSA-N -1 1 334.383 2.699 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000826384457 1430063447 /nfs/dbraw/zinc/06/34/47/1430063447.db2.gz WKJLFOZETAHDJR-DUXPYHPUSA-N -1 1 325.328 2.835 20 30 EFEDMM CCOc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821417019 1430089034 /nfs/dbraw/zinc/08/90/34/1430089034.db2.gz GZBWFYLRGQJPCU-UHFFFAOYSA-N -1 1 336.399 2.779 20 30 EFEDMM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccs1 ZINC000735580798 1430096796 /nfs/dbraw/zinc/09/67/96/1430096796.db2.gz LKQYDFBGOKPGJZ-UHFFFAOYSA-N -1 1 338.396 2.716 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc3ccccc3n2)o1 ZINC000735938632 1430117972 /nfs/dbraw/zinc/11/79/72/1430117972.db2.gz CJCXWLCQCXWTMG-UHFFFAOYSA-N -1 1 348.370 2.972 20 30 EFEDMM N#CC1(c2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)cc2)CC1 ZINC000826380953 1430146618 /nfs/dbraw/zinc/14/66/18/1430146618.db2.gz RSYZWHXRHIJZPW-UHFFFAOYSA-N -1 1 349.325 2.780 20 30 EFEDMM CCOc1ccc(C=NCc2cc(-c3nnn[n-]3)ccc2F)c(O)c1 ZINC000821416748 1430171213 /nfs/dbraw/zinc/17/12/13/1430171213.db2.gz CXBICVUSEGSPCC-OCKHKDLRSA-N -1 1 341.346 2.729 20 30 EFEDMM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735976298 1430179682 /nfs/dbraw/zinc/17/96/82/1430179682.db2.gz KTLTYPGWMUZGST-LBPRGKRZSA-N -1 1 332.367 2.871 20 30 EFEDMM Cc1cc(Cl)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000822202200 1441496595 /nfs/dbraw/zinc/49/65/95/1441496595.db2.gz OYSWUENXMPDGKM-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCO2 ZINC000820831934 1441569090 /nfs/dbraw/zinc/56/90/90/1441569090.db2.gz FJIYTNCCPGZGAP-UHFFFAOYSA-N -1 1 348.410 2.706 20 30 EFEDMM C=CCCCCCN(C)[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000735408642 1441689753 /nfs/dbraw/zinc/68/97/53/1441689753.db2.gz QHUKTUWWTHTKMI-MRXNPFEDSA-N -1 1 343.431 2.759 20 30 EFEDMM COCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826164320 1441701262 /nfs/dbraw/zinc/70/12/62/1441701262.db2.gz QXZDJSOVIUYAKG-VOTSOKGWSA-N -1 1 326.381 2.971 20 30 EFEDMM Cc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1F ZINC000737329565 1441713889 /nfs/dbraw/zinc/71/38/89/1441713889.db2.gz MXCWQMNNXMFHDK-UHFFFAOYSA-N -1 1 329.339 2.872 20 30 EFEDMM CCCCCCCn1cc(-c2nnn[n-]2)c(=O)c2nc(C)ccc21 ZINC000825272303 1441739769 /nfs/dbraw/zinc/73/97/69/1441739769.db2.gz ZVEQMPBTUVVQSK-UHFFFAOYSA-N -1 1 326.404 2.855 20 30 EFEDMM CO[C@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821673431 1441772359 /nfs/dbraw/zinc/77/23/59/1441772359.db2.gz AYTBUACCOHGAEZ-MRVPVSSYSA-N -1 1 328.298 2.708 20 30 EFEDMM COc1ccc(CON=Cc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826206934 1441776416 /nfs/dbraw/zinc/77/64/16/1441776416.db2.gz RTIKZHNDSFCHRD-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM C=CCCOCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000823899585 1441872429 /nfs/dbraw/zinc/87/24/29/1441872429.db2.gz YWKHSDFDRPFMLL-UHFFFAOYSA-N -1 1 329.404 2.877 20 30 EFEDMM C#CCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735374239 1441930423 /nfs/dbraw/zinc/93/04/23/1441930423.db2.gz FVXWEMNIRHMVHC-UHFFFAOYSA-N -1 1 348.362 2.626 20 30 EFEDMM Brc1ccoc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000735375090 1441954482 /nfs/dbraw/zinc/95/44/82/1441954482.db2.gz JLBRUNCOTWJYFK-UHFFFAOYSA-N -1 1 333.149 2.668 20 30 EFEDMM CCOCC(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736607965 1441991042 /nfs/dbraw/zinc/99/10/42/1441991042.db2.gz DJBNRXFPXVCSSP-UHFFFAOYSA-N -1 1 328.298 2.710 20 30 EFEDMM CCO[C@H]1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)C1(CC)CC ZINC000821351513 1442035807 /nfs/dbraw/zinc/03/58/07/1442035807.db2.gz RSGPVZPDAYZLOS-NSHDSACASA-N -1 1 333.396 2.546 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(Cc2cccc(C)c2)C2CC2)o1 ZINC000737391533 1442176427 /nfs/dbraw/zinc/17/64/27/1442176427.db2.gz DEHPRCRXMPWZCO-UHFFFAOYSA-N -1 1 337.387 2.892 20 30 EFEDMM N#Cc1cc(NC(=O)Cc2cc3ccccc3o2)ccc1-c1nnn[n-]1 ZINC000737708954 1442237406 /nfs/dbraw/zinc/23/74/06/1442237406.db2.gz JZWQXPZMXXTGLJ-UHFFFAOYSA-N -1 1 344.334 2.666 20 30 EFEDMM COc1cc(C)nc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826178056 1442246409 /nfs/dbraw/zinc/24/64/09/1442246409.db2.gz IBFVWHWPFJZQNE-UHFFFAOYSA-N -1 1 343.778 2.678 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401162 1442311274 /nfs/dbraw/zinc/31/12/74/1442311274.db2.gz RFBZKCHJXSUKOI-BAQGIRSFSA-N -1 1 339.286 2.810 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2s1 ZINC000819773957 1442321087 /nfs/dbraw/zinc/32/10/87/1442321087.db2.gz YGLRAZRVDATSHK-UHFFFAOYSA-N -1 1 349.423 2.990 20 30 EFEDMM CN(C(=O)c1ccc(C#N)s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573372 1442398128 /nfs/dbraw/zinc/39/81/28/1442398128.db2.gz NQSHZXLLCSVGSS-UHFFFAOYSA-N -1 1 344.787 2.730 20 30 EFEDMM C#CC(C)(C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735375329 1442405235 /nfs/dbraw/zinc/40/52/35/1442405235.db2.gz JTSXOVNCTXCOGT-UHFFFAOYSA-N -1 1 347.378 2.801 20 30 EFEDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1OC ZINC000825480691 1442424079 /nfs/dbraw/zinc/42/40/79/1442424079.db2.gz GRMWRWISHQUFDE-UHFFFAOYSA-N -1 1 349.398 2.791 20 30 EFEDMM N#Cc1csc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822846322 1442451487 /nfs/dbraw/zinc/45/14/87/1442451487.db2.gz WOEBPLLQXYJIFN-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000820842853 1442460710 /nfs/dbraw/zinc/46/07/10/1442460710.db2.gz QKORJTVQOPYTBE-CQSZACIVSA-N -1 1 335.371 2.555 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000821769821 1442460721 /nfs/dbraw/zinc/46/07/21/1442460721.db2.gz KYONWEHTZNTBGA-HWKANZROSA-N -1 1 330.344 2.972 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822822756 1443072534 /nfs/dbraw/zinc/07/25/34/1443072534.db2.gz DWSKXRRLRGZPGY-CXAGYDPISA-N -1 1 344.378 2.556 20 30 EFEDMM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823953638 1443165493 /nfs/dbraw/zinc/16/54/93/1443165493.db2.gz JWDLSYWPLLINSM-UHFFFAOYSA-N -1 1 334.355 2.720 20 30 EFEDMM CCCNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736489231 1443207815 /nfs/dbraw/zinc/20/78/15/1443207815.db2.gz YTVJFPVFIBMXLL-UHFFFAOYSA-N -1 1 336.399 2.779 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C#N)cc1C ZINC000825609990 1443209067 /nfs/dbraw/zinc/20/90/67/1443209067.db2.gz VULHBOSNRLVTKH-UHFFFAOYSA-N -1 1 349.350 2.665 20 30 EFEDMM CC(C)c1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC000735939041 1443213211 /nfs/dbraw/zinc/21/32/11/1443213211.db2.gz HKLITBVKFCXXID-UHFFFAOYSA-N -1 1 339.384 2.571 20 30 EFEDMM C=CCOc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819759152 1443235346 /nfs/dbraw/zinc/23/53/46/1443235346.db2.gz PEKJMBOGAFHINA-UHFFFAOYSA-N -1 1 335.367 2.992 20 30 EFEDMM C#CCCCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000819692739 1443244001 /nfs/dbraw/zinc/24/40/01/1443244001.db2.gz JCCAYGZSSJFILP-UHFFFAOYSA-N -1 1 331.383 2.801 20 30 EFEDMM CCOc1ccc(C#N)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825632245 1443260411 /nfs/dbraw/zinc/26/04/11/1443260411.db2.gz MVFBJGUEURXVDN-UHFFFAOYSA-N -1 1 338.346 2.888 20 30 EFEDMM C#CCOc1ccc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380212 1443262426 /nfs/dbraw/zinc/26/24/26/1443262426.db2.gz FNZFJVGVBGHUSO-ZDUSSCGKSA-N -1 1 348.362 2.797 20 30 EFEDMM Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000826261859 1443283230 /nfs/dbraw/zinc/28/32/30/1443283230.db2.gz VSOUKTZEIGKGBZ-UHFFFAOYSA-N -1 1 335.415 2.898 20 30 EFEDMM C[C@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380135 1443291564 /nfs/dbraw/zinc/29/15/64/1443291564.db2.gz LUXKJKJAYBOIAK-NSHDSACASA-N -1 1 333.355 2.621 20 30 EFEDMM C[C@@H](OC(=O)Cc1ccccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712975 1443317672 /nfs/dbraw/zinc/31/76/72/1443317672.db2.gz FVQAVPPTWPPXRZ-CYBMUJFWSA-N -1 1 347.378 2.780 20 30 EFEDMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C#N)cc1 ZINC000820512275 1443321181 /nfs/dbraw/zinc/32/11/81/1443321181.db2.gz IQQIWODTOYRDDN-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM C=CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000735409814 1443346605 /nfs/dbraw/zinc/34/66/05/1443346605.db2.gz LXOFQIRFUXVIHY-IJDCCNJMSA-N -1 1 346.394 2.709 20 30 EFEDMM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cc(-c4nn[n-]n4)cs3)nc21 ZINC000822333141 1443375227 /nfs/dbraw/zinc/37/52/27/1443375227.db2.gz YEWQRJZNHDDLGX-JTQLQIEISA-N -1 1 349.379 2.603 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4nnn[n-]4)cs3)[nH]c21 ZINC000822333141 1443375231 /nfs/dbraw/zinc/37/52/31/1443375231.db2.gz YEWQRJZNHDDLGX-JTQLQIEISA-N -1 1 349.379 2.603 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(-c4nn[n-]n4)cs3)[nH]c21 ZINC000822333141 1443375235 /nfs/dbraw/zinc/37/52/35/1443375235.db2.gz YEWQRJZNHDDLGX-JTQLQIEISA-N -1 1 349.379 2.603 20 30 EFEDMM N#Cc1cc(Cl)ccc1NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822819440 1443391675 /nfs/dbraw/zinc/39/16/75/1443391675.db2.gz SLWXZUNWUNPUOJ-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM CSc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737193082 1443449515 /nfs/dbraw/zinc/44/95/15/1443449515.db2.gz WDBYMFASKUDJMK-UHFFFAOYSA-N -1 1 336.380 2.713 20 30 EFEDMM CC(C)(C)c1nc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819965674 1443493904 /nfs/dbraw/zinc/49/39/04/1443493904.db2.gz MJGNIBWFDUOMRL-UHFFFAOYSA-N -1 1 341.444 2.744 20 30 EFEDMM FC(F)Oc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826369636 1443546517 /nfs/dbraw/zinc/54/65/17/1443546517.db2.gz KUSUZGGORUVTML-UHFFFAOYSA-N -1 1 330.298 2.914 20 30 EFEDMM CCc1c(C)sc(NC(=O)C2(C#N)CCCC2)c1-c1nn[n-]n1 ZINC000736672130 1443547164 /nfs/dbraw/zinc/54/71/64/1443547164.db2.gz ZHXJAXOGTLNYHB-UHFFFAOYSA-N -1 1 330.417 2.822 20 30 EFEDMM C[C@@H](C#N)COC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819856072 1443587465 /nfs/dbraw/zinc/58/74/65/1443587465.db2.gz HJQTXXDVSZJRDN-LBPRGKRZSA-N -1 1 348.366 2.927 20 30 EFEDMM C=C(C)COC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735402104 1443590512 /nfs/dbraw/zinc/59/05/12/1443590512.db2.gz IAJPXPHYQMJCRA-UHFFFAOYSA-N -1 1 340.339 2.772 20 30 EFEDMM N#Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000826384458 1443605652 /nfs/dbraw/zinc/60/56/52/1443605652.db2.gz WKJLFOZETAHDJR-RQOWECAXSA-N -1 1 325.328 2.835 20 30 EFEDMM Cc1cccc2c1CCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826304971 1443614444 /nfs/dbraw/zinc/61/44/44/1443614444.db2.gz GEFGFEKOACQQJA-UHFFFAOYSA-N -1 1 339.790 2.986 20 30 EFEDMM Cc1cccc2c1CCC2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826304971 1443614446 /nfs/dbraw/zinc/61/44/46/1443614446.db2.gz GEFGFEKOACQQJA-UHFFFAOYSA-N -1 1 339.790 2.986 20 30 EFEDMM Cc1cccc2c1CCC2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826304971 1443614450 /nfs/dbraw/zinc/61/44/50/1443614450.db2.gz GEFGFEKOACQQJA-UHFFFAOYSA-N -1 1 339.790 2.986 20 30 EFEDMM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821589538 1443618047 /nfs/dbraw/zinc/61/80/47/1443618047.db2.gz SAIGDJRUVRCKOB-CLFYSBASSA-N -1 1 325.397 2.890 20 30 EFEDMM CCO[C@@H]1CC(N=Nc2oc(C)nc2-c2nnn[n-]2)C12CCCCC2 ZINC000736619608 1443663174 /nfs/dbraw/zinc/66/31/74/1443663174.db2.gz YKQALMSGEDJXBW-GFCCVEGCSA-N -1 1 345.407 2.690 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)nc1 ZINC000826399713 1443782492 /nfs/dbraw/zinc/78/24/92/1443782492.db2.gz CWGGGJVKZMKCNE-HWKANZROSA-N -1 1 329.722 2.950 20 30 EFEDMM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451160 1443816625 /nfs/dbraw/zinc/81/66/25/1443816625.db2.gz QUGGNSIKXOIAET-UHFFFAOYSA-N -1 1 346.354 2.753 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000826257333 1443821795 /nfs/dbraw/zinc/82/17/95/1443821795.db2.gz XYFSBUVCSSNAAE-UHFFFAOYSA-N -1 1 337.314 2.543 20 30 EFEDMM CN(C)c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736772980 1444024264 /nfs/dbraw/zinc/02/42/64/1444024264.db2.gz IVYWNXZNHNKVBT-UHFFFAOYSA-N -1 1 325.351 2.518 20 30 EFEDMM C[C@H]1CCC[C@@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000824929733 1446131343 /nfs/dbraw/zinc/13/13/43/1446131343.db2.gz YFXBVRALRFVCEY-VHSXEESVSA-N -1 1 329.433 2.634 20 30 EFEDMM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000819763697 1446176150 /nfs/dbraw/zinc/17/61/50/1446176150.db2.gz AKHREBGBPGASTM-DHZHZOJOSA-N -1 1 348.341 2.919 20 30 EFEDMM CC[C@@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736309911 1446215750 /nfs/dbraw/zinc/21/57/50/1446215750.db2.gz UJTQLNOGGASDNZ-AWEZNQCLSA-N -1 1 347.382 2.642 20 30 EFEDMM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401084 1446228111 /nfs/dbraw/zinc/22/81/11/1446228111.db2.gz PAXAWDWKPVBBBH-ALCCZGGFSA-N -1 1 338.298 2.631 20 30 EFEDMM C=CCOc1ccc(OCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000823932060 1446357134 /nfs/dbraw/zinc/35/71/34/1446357134.db2.gz MMCIKVYRFSAQCX-UHFFFAOYSA-N -1 1 338.367 2.889 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735561157 1446365088 /nfs/dbraw/zinc/36/50/88/1446365088.db2.gz WFCOWSDQTHRXOD-SNVBAGLBSA-N -1 1 336.330 2.620 20 30 EFEDMM CCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000825733315 1446395273 /nfs/dbraw/zinc/39/52/73/1446395273.db2.gz BXGUTCPWMRUBGN-AATRIKPKSA-N -1 1 329.360 2.921 20 30 EFEDMM N#CCc1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826382634 1446419322 /nfs/dbraw/zinc/41/93/22/1446419322.db2.gz OCEBIPHRUQOBLE-UHFFFAOYSA-N -1 1 347.378 2.609 20 30 EFEDMM Fc1ccc(CCN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826374194 1446509076 /nfs/dbraw/zinc/50/90/76/1446509076.db2.gz PFUUKEQOKBAGND-UHFFFAOYSA-N -1 1 331.742 2.695 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccc(F)cc1 ZINC000822934646 1446513733 /nfs/dbraw/zinc/51/37/33/1446513733.db2.gz ATOUTJIFJUOMTL-FMIVXFBMSA-N -1 1 348.337 2.614 20 30 EFEDMM N#Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1-c1nnn[n-]1 ZINC000737709284 1446561007 /nfs/dbraw/zinc/56/10/07/1446561007.db2.gz MJEIRHDWLFGWGX-UHFFFAOYSA-N -1 1 330.307 2.737 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC000823874853 1446639509 /nfs/dbraw/zinc/63/95/09/1446639509.db2.gz ZRAFESIOYJVHFJ-ZDUSSCGKSA-N -1 1 335.795 2.830 20 30 EFEDMM Cc1ccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000822233774 1446691639 /nfs/dbraw/zinc/69/16/39/1446691639.db2.gz UURHTRKOKOXAQT-UHFFFAOYSA-N -1 1 332.367 2.979 20 30 EFEDMM CN(C)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736774707 1446795253 /nfs/dbraw/zinc/79/52/53/1446795253.db2.gz YDQXOOZURMOISG-CLFYSBASSA-N -1 1 337.358 2.968 20 30 EFEDMM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1 ZINC000820508002 1446809399 /nfs/dbraw/zinc/80/93/99/1446809399.db2.gz KZAKEUYQRIMREL-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccco2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359851 1446911872 /nfs/dbraw/zinc/91/18/72/1446911872.db2.gz RPDWEZNWTCJKNP-CMDGGOBGSA-N -1 1 346.350 2.756 20 30 EFEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826380050 1447060874 /nfs/dbraw/zinc/06/08/74/1447060874.db2.gz LERLUNHXXZTHGS-HOTGVXAUSA-N -1 1 334.383 2.731 20 30 EFEDMM C=CCOc1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819759273 1447127771 /nfs/dbraw/zinc/12/77/71/1447127771.db2.gz RIEBHLRDPNMXIX-UHFFFAOYSA-N -1 1 339.374 2.860 20 30 EFEDMM C=CCOc1ccc(CNCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819759273 1447127778 /nfs/dbraw/zinc/12/77/78/1447127778.db2.gz RIEBHLRDPNMXIX-UHFFFAOYSA-N -1 1 339.374 2.860 20 30 EFEDMM CC(CC1CCOCC1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824402436 1447128592 /nfs/dbraw/zinc/12/85/92/1447128592.db2.gz WNKRCYJQMNDNBG-UHFFFAOYSA-N -1 1 335.799 2.520 20 30 EFEDMM C=CCOc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819758633 1447133715 /nfs/dbraw/zinc/13/37/15/1447133715.db2.gz CHJFHCBFLWCSCB-UHFFFAOYSA-N -1 1 334.383 2.555 20 30 EFEDMM CCC(CC)CN(CCC#N)CCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820893858 1447136206 /nfs/dbraw/zinc/13/62/06/1447136206.db2.gz XNNORRNWXZKDBH-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CCC(CC)CN(CCC#N)CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820893858 1447136207 /nfs/dbraw/zinc/13/62/07/1447136207.db2.gz XNNORRNWXZKDBH-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CO2 ZINC000826212598 1447145441 /nfs/dbraw/zinc/14/54/41/1447145441.db2.gz VLAKWCIZFRFAAV-WQLSENKSSA-N -1 1 334.335 2.534 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000737065322 1447147281 /nfs/dbraw/zinc/14/72/81/1447147281.db2.gz JBYBNQRPAABYQP-OQFOIZHKSA-N -1 1 336.351 2.780 20 30 EFEDMM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC000826386170 1447191685 /nfs/dbraw/zinc/19/16/85/1447191685.db2.gz SDMVSWWPJOUXCW-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1cccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826386583 1447217112 /nfs/dbraw/zinc/21/71/12/1447217112.db2.gz KQQSXHLZWDXJEN-UHFFFAOYSA-N -1 1 339.742 2.749 20 30 EFEDMM N#Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000826384759 1447230392 /nfs/dbraw/zinc/23/03/92/1447230392.db2.gz IKSUPTQQAMIVMY-UHFFFAOYSA-N -1 1 341.737 2.977 20 30 EFEDMM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958555 1449161327 /nfs/dbraw/zinc/16/13/27/1449161327.db2.gz QJPZLQOLXCMNOX-UHFFFAOYSA-N -1 1 341.306 2.750 20 30 EFEDMM Oc1ccc2ccccc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823733554 1449301694 /nfs/dbraw/zinc/30/16/94/1449301694.db2.gz YTQQBTLXZXONPP-UHFFFAOYSA-N -1 1 344.378 2.849 20 30 EFEDMM C#Cc1cccc(NC(=S)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819709358 1449302665 /nfs/dbraw/zinc/30/26/65/1449302665.db2.gz FEEHGMXHQRETJP-LBPRGKRZSA-N -1 1 348.435 2.896 20 30 EFEDMM Cc1ccc(C#N)cc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822224869 1449384995 /nfs/dbraw/zinc/38/49/95/1449384995.db2.gz DBXYQBAVVKVOAQ-UHFFFAOYSA-N -1 1 335.367 2.895 20 30 EFEDMM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)C1CC1 ZINC000823904245 1449389178 /nfs/dbraw/zinc/38/91/78/1449389178.db2.gz XRRXJVVGWUGJPR-UHFFFAOYSA-N -1 1 329.408 2.606 20 30 EFEDMM Cc1ccncc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000823962921 1449418932 /nfs/dbraw/zinc/41/89/32/1449418932.db2.gz RTIAWUUFPFRAFC-UHFFFAOYSA-N -1 1 340.391 2.692 20 30 EFEDMM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403371 1449438975 /nfs/dbraw/zinc/43/89/75/1449438975.db2.gz QDWRXXVXKJXOCC-FNORWQNLSA-N -1 1 334.314 2.550 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826382062 1449456826 /nfs/dbraw/zinc/45/68/26/1449456826.db2.gz MTFFDHLCJZSDJA-QPJJXVBHSA-N -1 1 349.325 2.804 20 30 EFEDMM C=C(C)CN(CC)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735398614 1449513398 /nfs/dbraw/zinc/51/33/98/1449513398.db2.gz LGGMPVGZRXOXTK-UHFFFAOYSA-N -1 1 343.431 2.840 20 30 EFEDMM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735977947 1449537580 /nfs/dbraw/zinc/53/75/80/1449537580.db2.gz XNNFFLXYLBRSMR-GFCCVEGCSA-N -1 1 332.367 2.871 20 30 EFEDMM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)nn2)cc1C(F)(F)F ZINC000826386303 1449573431 /nfs/dbraw/zinc/57/34/31/1449573431.db2.gz YHARRVGYWKYYFS-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM CCC(COC)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736351027 1449617779 /nfs/dbraw/zinc/61/77/79/1449617779.db2.gz DUOZMWNVWTWPRV-UHFFFAOYSA-N -1 1 328.298 2.710 20 30 EFEDMM N#CCCN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000737685479 1449795960 /nfs/dbraw/zinc/79/59/60/1449795960.db2.gz CXVPRVBPSPSRRZ-UHFFFAOYSA-N -1 1 342.359 2.628 20 30 EFEDMM Cc1c(C#N)cccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822016305 1449844598 /nfs/dbraw/zinc/84/45/98/1449844598.db2.gz WZTSEVBQMFFAPN-UHFFFAOYSA-N -1 1 334.383 2.928 20 30 EFEDMM C=CCN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C1CC1 ZINC000823910008 1449860437 /nfs/dbraw/zinc/86/04/37/1449860437.db2.gz VWZVBUUKRFEUOG-UHFFFAOYSA-N -1 1 335.415 2.511 20 30 EFEDMM C=CCN(Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C1CC1 ZINC000823910008 1449860441 /nfs/dbraw/zinc/86/04/41/1449860441.db2.gz VWZVBUUKRFEUOG-UHFFFAOYSA-N -1 1 335.415 2.511 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1F ZINC000735552189 1449880463 /nfs/dbraw/zinc/88/04/63/1449880463.db2.gz VQPORYKIJWQVIV-SNVBAGLBSA-N -1 1 336.330 2.620 20 30 EFEDMM C[C@H]1CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)C1 ZINC000824925205 1449976399 /nfs/dbraw/zinc/97/63/99/1449976399.db2.gz BOAGXUDINQDJQY-UWVGGRQHSA-N -1 1 329.433 2.634 20 30 EFEDMM C=CCN(CC=C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819740080 1450096817 /nfs/dbraw/zinc/09/68/17/1450096817.db2.gz NRHGUNDOSIEUJW-UHFFFAOYSA-N -1 1 349.847 2.813 20 30 EFEDMM O=C1C(=Cc2cnc3ccccn23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503358 1450126812 /nfs/dbraw/zinc/12/68/12/1450126812.db2.gz DNLDVKIIAICJLV-JLHYYAGUSA-N -1 1 342.362 2.727 20 30 EFEDMM N#CCc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382711 1450343701 /nfs/dbraw/zinc/34/37/01/1450343701.db2.gz RLEWKQHYYKPDLV-MDZDMXLPSA-N -1 1 345.362 2.689 20 30 EFEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)co2)cc1 ZINC000175316058 713049688 /nfs/dbraw/zinc/04/96/88/713049688.db2.gz VKKMAUNBMXWGEM-OZSKJFCKSA-N -1 1 337.331 2.878 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2OC(F)(F)F)c(=O)o1 ZINC000255472784 715271784 /nfs/dbraw/zinc/27/17/84/715271784.db2.gz YOVRGRVLMXHTDU-LMVHVUTASA-N -1 1 340.253 2.813 20 30 EFEDMM C[C@@H](NC(=S)NN=Cc1cccc([O-])c1Br)C1CC1 ZINC000841628923 716004306 /nfs/dbraw/zinc/00/43/06/716004306.db2.gz FFBKHJKWGAADLQ-MRVPVSSYSA-N -1 1 342.262 2.751 20 30 EFEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C#N)cc1 ZINC000023417249 718165487 /nfs/dbraw/zinc/16/54/87/718165487.db2.gz CQSVRPRXEZHBNQ-CYBMUJFWSA-N -1 1 344.392 2.865 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2Br)c(=O)o1 ZINC000003543743 718219913 /nfs/dbraw/zinc/21/99/13/718219913.db2.gz DMSPCRKFINVEPC-UZYOAWRESA-N -1 1 335.153 2.677 20 30 EFEDMM CC(C)n1c(CNC(=O)CSc2ccc(C#N)cc2)n[n-]c1=S ZINC000066640149 718283296 /nfs/dbraw/zinc/28/32/96/718283296.db2.gz TWSIMUCBQNXNSJ-UHFFFAOYSA-N -1 1 347.469 2.802 20 30 EFEDMM C#CCCCCNC(=O)c1cc(I)ccc1[O-] ZINC000229802396 718314844 /nfs/dbraw/zinc/31/48/44/718314844.db2.gz QJUQHZHSBUYLJE-UHFFFAOYSA-N -1 1 343.164 2.530 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(F)c2)c(=O)o1 ZINC000255905716 718341732 /nfs/dbraw/zinc/34/17/32/718341732.db2.gz UPZULCNWSKEOLI-XBPVQUQDSA-N -1 1 340.253 2.655 20 30 EFEDMM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(F)cc1[O-] ZINC000727776968 723121390 /nfs/dbraw/zinc/12/13/90/723121390.db2.gz KCIZRHWLFJQEDH-UHFFFAOYSA-N -1 1 336.388 2.851 20 30 EFEDMM C=C1CC(c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)C1 ZINC000896884810 723567820 /nfs/dbraw/zinc/56/78/20/723567820.db2.gz SPFJYEHOWNDZBJ-SECBINFHSA-N -1 1 325.415 2.604 20 30 EFEDMM C=C1CC(c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)C1 ZINC000896883619 723568055 /nfs/dbraw/zinc/56/80/55/723568055.db2.gz FYTMRFKHDCEBAC-UHFFFAOYSA-N -1 1 335.367 2.548 20 30 EFEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(S(C)(=O)=O)cc1)O2 ZINC000918155779 728847123 /nfs/dbraw/zinc/84/71/23/728847123.db2.gz NRSJYSAEAJWYID-NVNXTCNLSA-N -1 1 330.361 2.720 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cscc2Br)c(=O)o1 ZINC000794689699 723831825 /nfs/dbraw/zinc/83/18/25/723831825.db2.gz CPLAQDSAUMKFOD-ZZKXABKFSA-N -1 1 341.182 2.739 20 30 EFEDMM Cc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c(Br)c1 ZINC000152594050 726184938 /nfs/dbraw/zinc/18/49/38/726184938.db2.gz LDSFVDXRVGHDKZ-LLYBFZRZSA-N -1 1 349.180 2.986 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cccc(-c2ccccc2)c1 ZINC000731154592 726813269 /nfs/dbraw/zinc/81/32/69/726813269.db2.gz TWDFEUPMGRXSHT-UHFFFAOYSA-N -1 1 344.378 2.935 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(NC(=O)NC(C)C)cc1 ZINC000915047537 726849103 /nfs/dbraw/zinc/84/91/03/726849103.db2.gz VXJIAPXUSGDLDO-UHFFFAOYSA-N -1 1 342.403 2.857 20 30 EFEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)cc1 ZINC000193480138 726946648 /nfs/dbraw/zinc/94/66/48/726946648.db2.gz GFMRCFRUNQOKIO-AWEZNQCLSA-N -1 1 340.335 2.726 20 30 EFEDMM CCCCCCCCC/C=C\C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907943299 727058962 /nfs/dbraw/zinc/05/89/62/727058962.db2.gz HBOBLLZGTZKFFC-KHPPLWFESA-N -1 1 349.479 2.707 20 30 EFEDMM CCOc1cc(C=NNc2nc(C)cc(=O)[n-]2)cc(Cl)c1OC ZINC000916241730 727670192 /nfs/dbraw/zinc/67/01/92/727670192.db2.gz QDUMIUABKKFOPN-UHFFFAOYSA-N -1 1 336.779 2.997 20 30 EFEDMM Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)n1C[C@H]1CCCO1 ZINC000916241582 727670318 /nfs/dbraw/zinc/67/03/18/727670318.db2.gz LWWSMKSURMDHNG-OAHLLOKOSA-N -1 1 329.404 2.534 20 30 EFEDMM C#CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000916600341 727700014 /nfs/dbraw/zinc/70/00/14/727700014.db2.gz UXMPEURSNVCXGQ-UHFFFAOYSA-N -1 1 347.367 2.725 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc([N+](=O)[O-])c1F ZINC000154270512 727764920 /nfs/dbraw/zinc/76/49/20/727764920.db2.gz HVDIBUZVSLFPSW-UHFFFAOYSA-N -1 1 349.343 2.909 20 30 EFEDMM C#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000058818844 728230219 /nfs/dbraw/zinc/23/02/19/728230219.db2.gz LGGUMBJNWUKDMU-UHFFFAOYSA-N -1 1 343.404 2.894 20 30 EFEDMM N#CCc1cccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000919313668 729004188 /nfs/dbraw/zinc/00/41/88/729004188.db2.gz IXTFNPUSFBMTGH-UHFFFAOYSA-N -1 1 335.315 2.922 20 30 EFEDMM CC(C)(C)c1nc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000920375318 729177367 /nfs/dbraw/zinc/17/73/67/729177367.db2.gz JUQOVCVWNCRQQH-UHFFFAOYSA-N -1 1 348.453 2.513 20 30 EFEDMM CCCCCCCCN1C(=O)C(=CNCC(C)C)C(=O)[N-]C1=S ZINC000920976563 729249991 /nfs/dbraw/zinc/24/99/91/729249991.db2.gz XMQWTFFQGSQXOF-WYMLVPIESA-N -1 1 339.505 2.720 20 30 EFEDMM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2ccc([O-])c(Cl)c2)n1 ZINC000921258298 729281172 /nfs/dbraw/zinc/28/11/72/729281172.db2.gz DGBVXCSFLSDPRJ-UHFFFAOYSA-N -1 1 348.819 2.611 20 30 EFEDMM Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccc([O-])c(Cl)c2)c1 ZINC000921251544 729281440 /nfs/dbraw/zinc/28/14/40/729281440.db2.gz RALJILIVLNHVEE-UHFFFAOYSA-N -1 1 338.816 2.975 20 30 EFEDMM C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000921296003 729284694 /nfs/dbraw/zinc/28/46/94/729284694.db2.gz BGAWENNQGBGAOI-ZDUSSCGKSA-N -1 1 338.816 2.568 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)c1 ZINC000064475309 729487989 /nfs/dbraw/zinc/48/79/89/729487989.db2.gz LSCOCKZFLPEVLI-UHFFFAOYSA-N -1 1 328.393 2.817 20 30 EFEDMM N#CC(C(=O)[C@@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C(F)F ZINC001594600725 956124359 /nfs/dbraw/zinc/12/43/59/956124359.db2.gz DQOQOGSJQAVHER-SKDRFNHKSA-N -1 1 333.294 2.718 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1NCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001573379307 963106580 /nfs/dbraw/zinc/10/65/80/963106580.db2.gz BZKYSIFGWWVSSJ-CABCVRRESA-N -1 1 330.409 2.941 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001603369213 972891621 /nfs/dbraw/zinc/89/16/21/972891621.db2.gz XLOAQCGGDJZUOL-NQBHXWOUSA-N -1 1 349.818 2.581 20 30 EFEDMM C=CCOc1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900070918 980242991 /nfs/dbraw/zinc/24/29/91/980242991.db2.gz PGOBXYGPACYXTR-OAHLLOKOSA-N -1 1 327.384 2.771 20 30 EFEDMM O=C([O-])c1ccc(NN=C2C[C@]3(CCOC3)Oc3ccccc32)nc1 ZINC000901205727 980259290 /nfs/dbraw/zinc/25/92/90/980259290.db2.gz PPGZVKUROCNNBH-SFHVURJKSA-N -1 1 339.351 2.538 20 30 EFEDMM O=C([O-])c1ccc(NN=C2C[C@@]3(CCOC3)Oc3ccccc32)nc1 ZINC000901205724 980259631 /nfs/dbraw/zinc/25/96/31/980259631.db2.gz PPGZVKUROCNNBH-GOSISDBHSA-N -1 1 339.351 2.538 20 30 EFEDMM CC[C@@](C)(C(=O)[O-])N(CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC001594778177 981773732 /nfs/dbraw/zinc/77/37/32/981773732.db2.gz JQLQUWXKLISEOX-SFHVURJKSA-N -1 1 347.415 2.672 20 30 EFEDMM C=CCO[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001120361728 983026804 /nfs/dbraw/zinc/02/68/04/983026804.db2.gz BCOHKJBCGPDNSY-ZDUSSCGKSA-N -1 1 340.217 2.924 20 30 EFEDMM C=CCC[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC001588776983 984154646 /nfs/dbraw/zinc/15/46/46/984154646.db2.gz PJBJHJRYRBBZJE-WMZOPIPTSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001588824167 984297551 /nfs/dbraw/zinc/29/75/51/984297551.db2.gz WTMRNVHUCMXOLM-OAHLLOKOSA-N -1 1 336.476 2.766 20 30 EFEDMM C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001588824166 984297591 /nfs/dbraw/zinc/29/75/91/984297591.db2.gz WTMRNVHUCMXOLM-HNNXBMFYSA-N -1 1 336.476 2.766 20 30 EFEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC001594501120 985684261 /nfs/dbraw/zinc/68/42/61/985684261.db2.gz LXJKFGZGMJZINQ-HONMWMINSA-N -1 1 342.317 2.726 20 30 EFEDMM CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598501118 992436059 /nfs/dbraw/zinc/43/60/59/992436059.db2.gz DXNDJUGUPQGKRP-UHFFFAOYSA-N -1 1 339.351 2.839 20 30 EFEDMM CO[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC001599123187 997781124 /nfs/dbraw/zinc/78/11/24/997781124.db2.gz IFZSZRUYTLTHDO-GXTWGEPZSA-N -1 1 342.317 2.641 20 30 EFEDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001594211194 998821793 /nfs/dbraw/zinc/82/17/93/998821793.db2.gz ZXTWRZDLLKRKGL-RYUDHWBXSA-N -1 1 340.383 2.682 20 30 EFEDMM COC(=O)c1ccccc1NN=C(C)c1ccccc1OCC(=O)[O-] ZINC001599003202 998836327 /nfs/dbraw/zinc/83/63/27/998836327.db2.gz YZJSKXOLQCLKOM-UHFFFAOYSA-N -1 1 342.351 2.773 20 30 EFEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cc2ccccc2s1 ZINC001575445027 1088472322 /nfs/dbraw/zinc/47/23/22/1088472322.db2.gz PPLUKZNTZDKSGX-SECBINFHSA-N -1 1 348.395 2.916 20 30 EFEDMM CCc1c(C([O-])=C(C#N)c2ncc(Cl)n2C)cnn1CC(C)C ZINC001646899920 1088509197 /nfs/dbraw/zinc/50/91/97/1088509197.db2.gz VSYHEQJABHRKIQ-NSHDSACASA-N -1 1 333.823 2.978 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1C ZINC001647097203 1088901455 /nfs/dbraw/zinc/90/14/55/1088901455.db2.gz IPUMCIOPHMZGMP-UHFFFAOYSA-N -1 1 343.408 2.820 20 30 EFEDMM Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC001647152648 1089002886 /nfs/dbraw/zinc/00/28/86/1089002886.db2.gz BFDPNPXJORRSDE-UHFFFAOYSA-N -1 1 349.434 2.920 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576998320 1089572496 /nfs/dbraw/zinc/57/24/96/1089572496.db2.gz CAIAKPLHPLXXER-LLVKDONJSA-N -1 1 340.778 2.745 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576998320 1089572506 /nfs/dbraw/zinc/57/25/06/1089572506.db2.gz CAIAKPLHPLXXER-LLVKDONJSA-N -1 1 340.778 2.745 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1cc(C)ccc1C ZINC001576998860 1089575059 /nfs/dbraw/zinc/57/50/59/1089575059.db2.gz KJQVPFNTFWFEQD-CYBMUJFWSA-N -1 1 334.387 2.708 20 30 EFEDMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cc(C)ccc1C ZINC001576998860 1089575076 /nfs/dbraw/zinc/57/50/76/1089575076.db2.gz KJQVPFNTFWFEQD-CYBMUJFWSA-N -1 1 334.387 2.708 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001581727222 1091271417 /nfs/dbraw/zinc/27/14/17/1091271417.db2.gz NOPXOJQTJOMXSH-UHFFFAOYSA-N -1 1 328.719 2.546 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001581727222 1091271424 /nfs/dbraw/zinc/27/14/24/1091271424.db2.gz NOPXOJQTJOMXSH-UHFFFAOYSA-N -1 1 328.719 2.546 20 30 EFEDMM N#CCc1cccc(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001581859535 1091322416 /nfs/dbraw/zinc/32/24/16/1091322416.db2.gz KLHWUMOZUVKRMB-UHFFFAOYSA-N -1 1 327.329 2.646 20 30 EFEDMM N#CCc1cccc(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001581859535 1091322424 /nfs/dbraw/zinc/32/24/24/1091322424.db2.gz KLHWUMOZUVKRMB-UHFFFAOYSA-N -1 1 327.329 2.646 20 30 EFEDMM N#Cc1cccc(N(C(=O)c2coc(-c3nnn[n-]3)c2)C2CCC2)c1 ZINC001581875940 1091328311 /nfs/dbraw/zinc/32/83/11/1091328311.db2.gz YCHZFTOIODMIRE-UHFFFAOYSA-N -1 1 334.339 2.531 20 30 EFEDMM N#Cc1cccc(N(C(=O)c2coc(-c3nn[n-]n3)c2)C2CCC2)c1 ZINC001581875940 1091328325 /nfs/dbraw/zinc/32/83/25/1091328325.db2.gz YCHZFTOIODMIRE-UHFFFAOYSA-N -1 1 334.339 2.531 20 30 EFEDMM N#Cc1cnc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC001581877631 1091329154 /nfs/dbraw/zinc/32/91/54/1091329154.db2.gz BUVIDPCZNOGZIA-UHFFFAOYSA-N -1 1 347.716 2.677 20 30 EFEDMM N#Cc1cnc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC001581877631 1091329163 /nfs/dbraw/zinc/32/91/63/1091329163.db2.gz BUVIDPCZNOGZIA-UHFFFAOYSA-N -1 1 347.716 2.677 20 30 EFEDMM N#Cc1ccc(Oc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC001581873931 1091329240 /nfs/dbraw/zinc/32/92/40/1091329240.db2.gz XEDUUVCDZSUCSI-UHFFFAOYSA-N -1 1 344.237 2.717 20 30 EFEDMM CCOc1c(Cl)cccc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000782301119 1092209235 /nfs/dbraw/zinc/20/92/35/1092209235.db2.gz JYWCGXDBWLEOHR-ZPIQOJFGSA-N -1 1 334.755 2.967 20 30 EFEDMM N#CCOc1cccc(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001586211703 1092711303 /nfs/dbraw/zinc/71/13/03/1092711303.db2.gz XZBSWRYEKCURBA-UHFFFAOYSA-N -1 1 348.362 2.661 20 30 EFEDMM C#C[C@H](Nc1cc(-c2nnn[n-]2)nc(CC)n1)c1ccc(Cl)cc1 ZINC001588329158 1092926623 /nfs/dbraw/zinc/92/66/23/1092926623.db2.gz ZAJLJAIWSVPLSM-LBPRGKRZSA-N -1 1 339.790 2.659 20 30 EFEDMM C#C[C@H](Nc1cc(-c2nn[n-]n2)nc(CC)n1)c1ccc(Cl)cc1 ZINC001588329158 1092926628 /nfs/dbraw/zinc/92/66/28/1092926628.db2.gz ZAJLJAIWSVPLSM-LBPRGKRZSA-N -1 1 339.790 2.659 20 30 EFEDMM C#CC[C@@H](Cc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588333931 1092927882 /nfs/dbraw/zinc/92/78/82/1092927882.db2.gz IWSWRCCXLCPSNQ-AWEZNQCLSA-N -1 1 336.351 2.560 20 30 EFEDMM C#CC[C@@H](Cc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588333931 1092927884 /nfs/dbraw/zinc/92/78/84/1092927884.db2.gz IWSWRCCXLCPSNQ-AWEZNQCLSA-N -1 1 336.351 2.560 20 30 EFEDMM C=C1CCC(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001588462374 1092950644 /nfs/dbraw/zinc/95/06/44/1092950644.db2.gz MHKHXUXRSFJYOB-UHFFFAOYSA-N -1 1 336.399 2.824 20 30 EFEDMM C=CC[C@@H](CCc1ccccc1)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588544461 1092957734 /nfs/dbraw/zinc/95/77/34/1092957734.db2.gz HUVNNXKGHVEWPS-HNNXBMFYSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CC[C@@H](CCc1ccccc1)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588544461 1092957736 /nfs/dbraw/zinc/95/77/36/1092957736.db2.gz HUVNNXKGHVEWPS-HNNXBMFYSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001588545516 1092957972 /nfs/dbraw/zinc/95/79/72/1092957972.db2.gz HQYKWKSXZAQBDS-ZDUSSCGKSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001588545516 1092957982 /nfs/dbraw/zinc/95/79/82/1092957982.db2.gz HQYKWKSXZAQBDS-ZDUSSCGKSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CCCC1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCCC1 ZINC001588578850 1092965021 /nfs/dbraw/zinc/96/50/21/1092965021.db2.gz HGCTXRREORSQJJ-UHFFFAOYSA-N -1 1 326.404 2.518 20 30 EFEDMM C=CCCC1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCCC1 ZINC001588578850 1092965029 /nfs/dbraw/zinc/96/50/29/1092965029.db2.gz HGCTXRREORSQJJ-UHFFFAOYSA-N -1 1 326.404 2.518 20 30 EFEDMM C=CCC[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001588581992 1092965169 /nfs/dbraw/zinc/96/51/69/1092965169.db2.gz CXXOOPHAHWPHHJ-LBPRGKRZSA-N -1 1 336.399 2.919 20 30 EFEDMM C=CCCCCCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588594292 1092966766 /nfs/dbraw/zinc/96/67/66/1092966766.db2.gz SGLAQYNGZXLMEF-UHFFFAOYSA-N -1 1 331.380 2.906 20 30 EFEDMM C=CCCCCCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588594292 1092966770 /nfs/dbraw/zinc/96/67/70/1092966770.db2.gz SGLAQYNGZXLMEF-UHFFFAOYSA-N -1 1 331.380 2.906 20 30 EFEDMM C=CCCCCOC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588596645 1092967286 /nfs/dbraw/zinc/96/72/86/1092967286.db2.gz XOCSMEUVRSPPEU-UHFFFAOYSA-N -1 1 341.293 2.794 20 30 EFEDMM C=CCN(Cc1ccccc1F)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001588653424 1092975943 /nfs/dbraw/zinc/97/59/43/1092975943.db2.gz HUODTEBZCNCCDF-UHFFFAOYSA-N -1 1 343.387 2.896 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)C2CCSCC2)o1 ZINC001588781321 1092991366 /nfs/dbraw/zinc/99/13/66/1092991366.db2.gz UFZRCGRIVYVHOM-UHFFFAOYSA-N -1 1 335.437 2.909 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(O)c2)o1 ZINC001588781132 1092991589 /nfs/dbraw/zinc/99/15/89/1092991589.db2.gz GTRBZOYPEOEBOD-UHFFFAOYSA-N -1 1 327.348 2.520 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCC(F)(F)C2)o1 ZINC001589237678 1093055157 /nfs/dbraw/zinc/05/51/57/1093055157.db2.gz CODYBXXLXMVYGR-MRVPVSSYSA-N -1 1 339.350 2.985 20 30 EFEDMM CC(C)(CC#N)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589266962 1093059323 /nfs/dbraw/zinc/05/93/23/1093059323.db2.gz DMNKBLDDSXSANE-UHFFFAOYSA-N -1 1 325.298 2.632 20 30 EFEDMM CC(C)(CC#N)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589266962 1093059335 /nfs/dbraw/zinc/05/93/35/1093059335.db2.gz DMNKBLDDSXSANE-UHFFFAOYSA-N -1 1 325.298 2.632 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCCCC#N)o1 ZINC001589804568 1093154278 /nfs/dbraw/zinc/15/42/78/1093154278.db2.gz HVAALGAXSMQRAG-UHFFFAOYSA-N -1 1 330.396 2.925 20 30 EFEDMM CC(C)c1ccc(C[C@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001589897170 1093169946 /nfs/dbraw/zinc/16/99/46/1093169946.db2.gz PFSYRMTUVVZCFA-LBPRGKRZSA-N -1 1 348.414 2.695 20 30 EFEDMM CC(C)c1ccc(C[C@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001589897170 1093169949 /nfs/dbraw/zinc/16/99/49/1093169949.db2.gz PFSYRMTUVVZCFA-LBPRGKRZSA-N -1 1 348.414 2.695 20 30 EFEDMM C[C@@H](c1ccc(Cn2cnc(C#N)c2-c2nn[n-]n2)cc1)C(F)(F)F ZINC001590040595 1093235191 /nfs/dbraw/zinc/23/51/91/1093235191.db2.gz QJQIKTDJLCIDLN-VIFPVBQESA-N -1 1 347.304 2.649 20 30 EFEDMM CCCCCCCC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590592988 1093506231 /nfs/dbraw/zinc/50/62/31/1093506231.db2.gz RFISXRMXMXJQPG-UHFFFAOYSA-N -1 1 328.420 2.901 20 30 EFEDMM CCCCCCCC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590592988 1093506242 /nfs/dbraw/zinc/50/62/42/1093506242.db2.gz RFISXRMXMXJQPG-UHFFFAOYSA-N -1 1 328.420 2.901 20 30 EFEDMM CCSCc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001590853519 1093600646 /nfs/dbraw/zinc/60/06/46/1093600646.db2.gz HJJKYICBGAQJCH-UHFFFAOYSA-N -1 1 338.400 2.525 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C#N ZINC001590872083 1093607320 /nfs/dbraw/zinc/60/73/20/1093607320.db2.gz FSYBRLGHNZSTFW-UHFFFAOYSA-N -1 1 328.357 2.516 20 30 EFEDMM CN(CCc1cccc(C#N)c1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001591121501 1093664146 /nfs/dbraw/zinc/66/41/46/1093664146.db2.gz QRGQTYYTLPXWET-UHFFFAOYSA-N -1 1 345.819 2.527 20 30 EFEDMM CN(CCc1cccc(C#N)c1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001591121501 1093664150 /nfs/dbraw/zinc/66/41/50/1093664150.db2.gz QRGQTYYTLPXWET-UHFFFAOYSA-N -1 1 345.819 2.527 20 30 EFEDMM CO[C@@]1(C)CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC001591338950 1093698500 /nfs/dbraw/zinc/69/85/00/1093698500.db2.gz IOIWINCDJRLXSX-INIZCTEOSA-N -1 1 347.423 2.656 20 30 EFEDMM COc1ccc2c(c1)OC(=Cc1cccc(F)c1-c1nn[n-]n1)C2=O ZINC001591627788 1093806295 /nfs/dbraw/zinc/80/62/95/1093806295.db2.gz JHHLMIKCMXNHAG-VGOFMYFVSA-N -1 1 338.298 2.631 20 30 EFEDMM CSc1ccc(CSc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001591715050 1093840644 /nfs/dbraw/zinc/84/06/44/1093840644.db2.gz YIJNVIMAGYGGFL-UHFFFAOYSA-N -1 1 341.425 2.543 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1C(C)C ZINC001591802187 1093865064 /nfs/dbraw/zinc/86/50/64/1093865064.db2.gz UFVOQOPQYSQNHY-GQCTYLIASA-N -1 1 328.401 2.910 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)n(C)n1 ZINC001591906707 1093913063 /nfs/dbraw/zinc/91/30/63/1093913063.db2.gz CNYWRRPRRKLRLE-GQCTYLIASA-N -1 1 346.753 2.597 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)n(C)n1 ZINC001591906707 1093913069 /nfs/dbraw/zinc/91/30/69/1093913069.db2.gz CNYWRRPRRKLRLE-GQCTYLIASA-N -1 1 346.753 2.597 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)no1 ZINC001591906919 1093913191 /nfs/dbraw/zinc/91/31/91/1093913191.db2.gz PNCUQIUCBFRHJK-HWKANZROSA-N -1 1 333.710 2.852 20 30 EFEDMM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)no1 ZINC001591906919 1093913197 /nfs/dbraw/zinc/91/31/97/1093913197.db2.gz PNCUQIUCBFRHJK-HWKANZROSA-N -1 1 333.710 2.852 20 30 EFEDMM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C#N ZINC001592166760 1094010796 /nfs/dbraw/zinc/01/07/96/1094010796.db2.gz GINZFAWFTMVUEQ-UHFFFAOYSA-N -1 1 335.327 2.567 20 30 EFEDMM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C#N ZINC001592166760 1094010802 /nfs/dbraw/zinc/01/08/02/1094010802.db2.gz GINZFAWFTMVUEQ-UHFFFAOYSA-N -1 1 335.327 2.567 20 30 EFEDMM Cc1ccccc1SC[C@H](C)Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001592259918 1094057689 /nfs/dbraw/zinc/05/76/89/1094057689.db2.gz WFDGTLHFAYPZTI-LLVKDONJSA-N -1 1 339.428 2.672 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2csc(Cl)c2Cl)o1 ZINC001592338551 1094081724 /nfs/dbraw/zinc/08/17/24/1094081724.db2.gz HAZVZULNCXJJAM-UHFFFAOYSA-N -1 1 344.187 2.977 20 30 EFEDMM N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C1CCCCC1 ZINC001592668288 1094172896 /nfs/dbraw/zinc/17/28/96/1094172896.db2.gz IXLDTMJZVIHYOX-CQSZACIVSA-N -1 1 349.398 2.550 20 30 EFEDMM N#CC[C@@H]1CC[C@H](Nc2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001592682155 1094175863 /nfs/dbraw/zinc/17/58/63/1094175863.db2.gz PNYFQFXGGSWHLR-WPRPVWTQSA-N -1 1 348.208 2.518 20 30 EFEDMM N#CC[C@@H]1CC[C@H](Nc2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001592682155 1094175869 /nfs/dbraw/zinc/17/58/69/1094175869.db2.gz PNYFQFXGGSWHLR-WPRPVWTQSA-N -1 1 348.208 2.518 20 30 EFEDMM N#Cc1c(F)cccc1Oc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592686344 1094176000 /nfs/dbraw/zinc/17/60/00/1094176000.db2.gz ICDWQBWOFMSPOA-UHFFFAOYSA-N -1 1 332.276 2.639 20 30 EFEDMM N#Cc1c(F)cccc1Oc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592686344 1094176003 /nfs/dbraw/zinc/17/60/03/1094176003.db2.gz ICDWQBWOFMSPOA-UHFFFAOYSA-N -1 1 332.276 2.639 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccc(OC(F)F)cc1 ZINC001592803072 1094192386 /nfs/dbraw/zinc/19/23/86/1094192386.db2.gz INFLRTGHRXVUMK-WAYWQWQTSA-N -1 1 349.322 2.821 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC001592803072 1094192390 /nfs/dbraw/zinc/19/23/90/1094192390.db2.gz INFLRTGHRXVUMK-WAYWQWQTSA-N -1 1 349.322 2.821 20 30 EFEDMM O=C(c1csc(-c2nn[n-]n2)c1)N(O)CCCCc1ccccc1 ZINC001593371204 1094300763 /nfs/dbraw/zinc/30/07/63/1094300763.db2.gz NTQUYGAFVMWQLM-UHFFFAOYSA-N -1 1 343.412 2.783 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CCc2ccc(F)cc21 ZINC001593379368 1094303424 /nfs/dbraw/zinc/30/34/24/1094303424.db2.gz DBDSDNRXKSWALW-WEVVVXLNSA-N -1 1 327.344 2.675 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)CCc2ccc(F)cc21 ZINC001593379368 1094303431 /nfs/dbraw/zinc/30/34/31/1094303431.db2.gz DBDSDNRXKSWALW-WEVVVXLNSA-N -1 1 327.344 2.675 20 30 EFEDMM COc1cccc(-c2cc(CNC(=O)c3ccc(C#N)c([O-])c3)on2)c1 ZINC001597652745 1094610966 /nfs/dbraw/zinc/61/09/66/1094610966.db2.gz VHCVGNRVMLPOLE-UHFFFAOYSA-N -1 1 349.346 2.857 20 30 EFEDMM Cc1cc([C@H](NCc2ccc(C#N)cc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001600148989 1094811700 /nfs/dbraw/zinc/81/17/00/1094811700.db2.gz VOXCRRSYBFBGDR-INIZCTEOSA-N -1 1 343.314 2.830 20 30 EFEDMM C=C(Cl)CN1CCC[C@@H]2[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)[C@H]21 ZINC001087282762 1094878208 /nfs/dbraw/zinc/87/82/08/1094878208.db2.gz DKMYQTBVRTUUSH-WQVCFCJDSA-N -1 1 349.862 2.759 20 30 EFEDMM Cc1sc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)nc1C(=O)[O-] ZINC001600880889 1095403698 /nfs/dbraw/zinc/40/36/98/1095403698.db2.gz BHPSJGRJUULVEO-CHWSQXEVSA-N -1 1 349.456 2.732 20 30 EFEDMM N#C[C@]1(c2ccccn2)CCCN(C[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001601059322 1095486292 /nfs/dbraw/zinc/48/62/92/1095486292.db2.gz XLCJFOITKVMOAE-FRQCXROJSA-N -1 1 327.428 2.830 20 30 EFEDMM N#CCOc1ccc(Cl)cc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001601074341 1095491884 /nfs/dbraw/zinc/49/18/84/1095491884.db2.gz SUXHBHDDIVHRFB-INIZCTEOSA-N -1 1 346.770 2.863 20 30 EFEDMM N#Cc1ccc([C@@H](NCc2cccnc2OCC(F)F)C(=O)[O-])cc1 ZINC001601096879 1095508682 /nfs/dbraw/zinc/50/86/82/1095508682.db2.gz OIHHORMOAUVQRM-OAHLLOKOSA-N -1 1 347.321 2.513 20 30 EFEDMM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)c(F)c1 ZINC001601100172 1095511474 /nfs/dbraw/zinc/51/14/74/1095511474.db2.gz HHEJORFQPMFALH-RRQGHBQHSA-N -1 1 332.375 2.542 20 30 EFEDMM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c(F)c1 ZINC001601100167 1095511798 /nfs/dbraw/zinc/51/17/98/1095511798.db2.gz HHEJORFQPMFALH-IAOVAPTHSA-N -1 1 332.375 2.542 20 30 EFEDMM N#Cc1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1F ZINC001601099686 1095512268 /nfs/dbraw/zinc/51/22/68/1095512268.db2.gz APAUSJWOVALJCO-LBPRGKRZSA-N -1 1 331.372 2.842 20 30 EFEDMM N#Cc1ccc(N[C@@H]2CCCN(Cc3csc(C(=O)[O-])c3)C2)nc1 ZINC001601108421 1095516973 /nfs/dbraw/zinc/51/69/73/1095516973.db2.gz NXPZRXSHYIVHHO-CQSZACIVSA-N -1 1 342.424 2.789 20 30 EFEDMM N#Cc1cccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)c1F ZINC001601121962 1095527327 /nfs/dbraw/zinc/52/73/27/1095527327.db2.gz ABSGWODWMQTCRC-VBNZEHGJSA-N -1 1 332.375 2.542 20 30 EFEDMM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)CN3CCCC3)c2)c1 ZINC001601313434 1095611263 /nfs/dbraw/zinc/61/12/63/1095611263.db2.gz PEFLSSQLUFXGCB-UHFFFAOYSA-N -1 1 348.402 2.819 20 30 EFEDMM O=C([O-])c1c(F)cccc1N=NCc1cn(-c2ccccc2)nn1 ZINC001602230039 1096128207 /nfs/dbraw/zinc/12/82/07/1096128207.db2.gz BUHYWMIVABKTIK-UHFFFAOYSA-N -1 1 325.303 2.551 20 30 EFEDMM O=C([O-])c1cc(C=[NH+][N-]c2nc3cccnc3s2)n2c1CCCC2 ZINC001602256742 1096142901 /nfs/dbraw/zinc/14/29/01/1096142901.db2.gz JYJXLGDZGRWGSO-UHFFFAOYSA-N -1 1 341.396 2.973 20 30 EFEDMM C=C[C@H](CC(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001602802053 1096374260 /nfs/dbraw/zinc/37/42/60/1096374260.db2.gz ZXGIJLJILPANAY-LLVKDONJSA-N -1 1 340.412 2.930 20 30 EFEDMM C=C[C@H](CC(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001602802053 1096374266 /nfs/dbraw/zinc/37/42/66/1096374266.db2.gz ZXGIJLJILPANAY-LLVKDONJSA-N -1 1 340.412 2.930 20 30 EFEDMM C=CC[C@H](C(=O)[O-])N1CCc2cc(F)c(Br)cc2C1 ZINC001602836172 1096381655 /nfs/dbraw/zinc/38/16/55/1096381655.db2.gz HYSXZCGDTLTUST-CYBMUJFWSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCN1CC[C@H](N(C)Cc2c3ccccc3sc2C(=O)[O-])C1=O ZINC001602898720 1096392819 /nfs/dbraw/zinc/39/28/19/1096392819.db2.gz WITJDXNODURWHG-AWEZNQCLSA-N -1 1 344.436 2.818 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(OC(F)F)cc2)o1 ZINC001602912493 1096398929 /nfs/dbraw/zinc/39/89/29/1096398929.db2.gz RRLJEDWLUQRTSK-UHFFFAOYSA-N -1 1 349.301 2.601 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(O)ccc2F)o1 ZINC001602912675 1096399952 /nfs/dbraw/zinc/39/99/52/1096399952.db2.gz VWWKWWNCUHRRIH-UHFFFAOYSA-N -1 1 345.338 2.659 20 30 EFEDMM Cc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(C)n1 ZINC001602911746 1096400239 /nfs/dbraw/zinc/40/02/39/1096400239.db2.gz IKOVEJYEZQPHJH-UHFFFAOYSA-N -1 1 340.391 2.826 20 30 EFEDMM CC(C)CC[C@@H]1CCC[C@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603278632 1096494511 /nfs/dbraw/zinc/49/45/11/1096494511.db2.gz RQIACPKDQAJHLU-NWDGAFQWSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CC[C@@H]1CCC[C@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603278632 1096494516 /nfs/dbraw/zinc/49/45/16/1096494516.db2.gz RQIACPKDQAJHLU-NWDGAFQWSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)(C)[C@H](CC(=O)[O-])NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC001603306103 1096500245 /nfs/dbraw/zinc/50/02/45/1096500245.db2.gz OPPTZPWSSANCHQ-ZDUSSCGKSA-N -1 1 328.372 2.587 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603734296 1096607367 /nfs/dbraw/zinc/60/73/67/1096607367.db2.gz CKAPQOCMLCXPHG-JTQLQIEISA-N -1 1 339.790 2.984 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603734296 1096607373 /nfs/dbraw/zinc/60/73/73/1096607373.db2.gz CKAPQOCMLCXPHG-JTQLQIEISA-N -1 1 339.790 2.984 20 30 EFEDMM C[C@@H]1C[C@@H](CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001603850972 1096645572 /nfs/dbraw/zinc/64/55/72/1096645572.db2.gz OSSQMPNPSSSJBD-VXGBXAGGSA-N -1 1 340.435 2.793 20 30 EFEDMM CCC(CC)CN(CCC#N)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604025463 1096702760 /nfs/dbraw/zinc/70/27/60/1096702760.db2.gz HIPWFCUDHFQSAU-UHFFFAOYSA-N -1 1 349.420 2.993 20 30 EFEDMM CCC(CC)CN(CCC#N)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604025463 1096702765 /nfs/dbraw/zinc/70/27/65/1096702765.db2.gz HIPWFCUDHFQSAU-UHFFFAOYSA-N -1 1 349.420 2.993 20 30 EFEDMM CC1(C)CCc2cc(CN3CCC(C#N)(C(=O)[O-])CC3)ccc2O1 ZINC001604538630 1096897853 /nfs/dbraw/zinc/89/78/53/1096897853.db2.gz XYAVHAMUFOLHKF-UHFFFAOYSA-N -1 1 328.412 2.981 20 30 EFEDMM COCC1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC001605073055 1097015755 /nfs/dbraw/zinc/01/57/55/1097015755.db2.gz UQVSTIORNNDQDR-UHFFFAOYSA-N -1 1 333.396 2.583 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](CCCC#N)c2ccccc2)n1 ZINC001605568963 1097160540 /nfs/dbraw/zinc/16/05/40/1097160540.db2.gz YBBVIGRCNNIVCS-CQSZACIVSA-N -1 1 334.387 2.812 20 30 EFEDMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](CCCC#N)c2ccccc2)n1 ZINC001605568963 1097160542 /nfs/dbraw/zinc/16/05/42/1097160542.db2.gz YBBVIGRCNNIVCS-CQSZACIVSA-N -1 1 334.387 2.812 20 30 EFEDMM CCc1[nH]c(CN(C)CCOCc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001605771020 1097220704 /nfs/dbraw/zinc/22/07/04/1097220704.db2.gz NMKQQIZVZNNUEX-UHFFFAOYSA-N -1 1 341.411 2.796 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC001605866552 1097259053 /nfs/dbraw/zinc/25/90/53/1097259053.db2.gz RJFIAWYJZHKMPQ-UHFFFAOYSA-N -1 1 336.355 2.637 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC001605866552 1097259057 /nfs/dbraw/zinc/25/90/57/1097259057.db2.gz RJFIAWYJZHKMPQ-UHFFFAOYSA-N -1 1 336.355 2.637 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1sc(C)c(C)c1C#N ZINC001606169812 1097335797 /nfs/dbraw/zinc/33/57/97/1097335797.db2.gz SSCUUBNMPKDIFI-UHFFFAOYSA-N -1 1 328.357 2.570 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1sc(C)c(C)c1C#N ZINC001606169812 1097335805 /nfs/dbraw/zinc/33/58/05/1097335805.db2.gz SSCUUBNMPKDIFI-UHFFFAOYSA-N -1 1 328.357 2.570 20 30 EFEDMM N#CCc1cccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001606351508 1097391487 /nfs/dbraw/zinc/39/14/87/1097391487.db2.gz MIGZIIRRINGEGG-UHFFFAOYSA-N -1 1 343.350 2.666 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606381966 1097397274 /nfs/dbraw/zinc/39/72/74/1097397274.db2.gz WSJKJJYNFQUDGS-AWEZNQCLSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606381966 1097397279 /nfs/dbraw/zinc/39/72/79/1097397279.db2.gz WSJKJJYNFQUDGS-AWEZNQCLSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ccccc1Oc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001606389352 1097397976 /nfs/dbraw/zinc/39/79/76/1097397976.db2.gz PBFVPBJOQHYKHC-UHFFFAOYSA-N -1 1 332.245 2.944 20 30 EFEDMM N#Cc1ccccc1Oc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001606389352 1097397978 /nfs/dbraw/zinc/39/79/78/1097397978.db2.gz PBFVPBJOQHYKHC-UHFFFAOYSA-N -1 1 332.245 2.944 20 30 EFEDMM N#Cc1nc(Oc2ccc(Cl)c(Cl)c2)cnc1-c1nn[n-]n1 ZINC001606397498 1097398405 /nfs/dbraw/zinc/39/84/05/1097398405.db2.gz QVVLHWZMODXBID-UHFFFAOYSA-N -1 1 334.126 2.627 20 30 EFEDMM N#Cc1ncc(N[C@@H]2CCC[C@H](c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001606398043 1097398595 /nfs/dbraw/zinc/39/85/95/1097398595.db2.gz ISHHWQOVIMHOCW-UONOGXRCSA-N -1 1 346.398 2.667 20 30 EFEDMM COC(=O)c1c(F)cccc1NN=Cc1cccn1[C@@H](C)C(=O)[O-] ZINC001606526027 1097413547 /nfs/dbraw/zinc/41/35/47/1097413547.db2.gz GHANYIJFNAKMDL-JTQLQIEISA-N -1 1 333.319 2.505 20 30 EFEDMM O=C1c2cccc(Cl)c2CC1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001607037801 1097501160 /nfs/dbraw/zinc/50/11/60/1097501160.db2.gz PXZCIEHCZSDTCB-FNORWQNLSA-N -1 1 329.772 2.799 20 30 EFEDMM O=C1c2cccc(Cl)c2CC1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001607037801 1097501167 /nfs/dbraw/zinc/50/11/67/1097501167.db2.gz PXZCIEHCZSDTCB-FNORWQNLSA-N -1 1 329.772 2.799 20 30 EFEDMM Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2Br)nn1 ZINC001607808162 1097740319 /nfs/dbraw/zinc/74/03/19/1097740319.db2.gz GUPZKPKSESWNIH-UHFFFAOYSA-N -1 1 335.161 2.692 20 30 EFEDMM Cn1cc([C@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)CC2(C)C)cn1 ZINC001608109788 1097835725 /nfs/dbraw/zinc/83/57/25/1097835725.db2.gz OETWHYHFJNHBHQ-QGZVFWFLSA-N -1 1 338.411 2.616 20 30 EFEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)nc1 ZINC001608207795 1097863735 /nfs/dbraw/zinc/86/37/35/1097863735.db2.gz SFFNKAVOXKFRJO-AWEZNQCLSA-N -1 1 335.285 2.888 20 30 EFEDMM N#Cc1cccc(OCCN2CCOc3cc(C(=O)[O-])ccc3C2)c1 ZINC001608218401 1097867396 /nfs/dbraw/zinc/86/73/96/1097867396.db2.gz NVUPMNWYUHBMBY-UHFFFAOYSA-N -1 1 338.363 2.530 20 30 EFEDMM N#Cc1ccsc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001608222982 1097869942 /nfs/dbraw/zinc/86/99/42/1097869942.db2.gz MBTRIKXWAOGSIH-RDBSUJKOSA-N -1 1 347.440 2.524 20 30 EFEDMM C#CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609020282 1098112792 /nfs/dbraw/zinc/11/27/92/1098112792.db2.gz XBORPYISEHEOCU-OAHLLOKOSA-N -1 1 334.339 2.951 20 30 EFEDMM C#CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609020282 1098112798 /nfs/dbraw/zinc/11/27/98/1098112798.db2.gz XBORPYISEHEOCU-OAHLLOKOSA-N -1 1 334.339 2.951 20 30 EFEDMM C#C[C@@H](C)NCc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001609054772 1098122650 /nfs/dbraw/zinc/12/26/50/1098122650.db2.gz QWLNHKVSYIKLHO-SECBINFHSA-N -1 1 338.194 2.989 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccccc2O)o1 ZINC001609061534 1098127492 /nfs/dbraw/zinc/12/74/92/1098127492.db2.gz JWAJBSYCTCZKDT-UHFFFAOYSA-N -1 1 341.375 2.595 20 30 EFEDMM CCCNc1ccc(C#N)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001609216091 1098207012 /nfs/dbraw/zinc/20/70/12/1098207012.db2.gz IASXVPSSWVJSDT-UHFFFAOYSA-N -1 1 334.387 2.567 20 30 EFEDMM CCCNc1ccc(C#N)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001609216091 1098207016 /nfs/dbraw/zinc/20/70/16/1098207016.db2.gz IASXVPSSWVJSDT-UHFFFAOYSA-N -1 1 334.387 2.567 20 30 EFEDMM CCc1cnc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC001609253798 1098227394 /nfs/dbraw/zinc/22/73/94/1098227394.db2.gz PABUEAZMVGFXQI-UHFFFAOYSA-N -1 1 346.420 2.617 20 30 EFEDMM COc1ncc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC001609366457 1098269494 /nfs/dbraw/zinc/26/94/94/1098269494.db2.gz UQLAAHSJNVPGCV-RQOWECAXSA-N -1 1 347.787 2.881 20 30 EFEDMM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609458141 1098334029 /nfs/dbraw/zinc/33/40/29/1098334029.db2.gz VMXKXVRGFHGIQQ-SNAWJCMRSA-N -1 1 328.401 2.910 20 30 EFEDMM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609458141 1098334034 /nfs/dbraw/zinc/33/40/34/1098334034.db2.gz VMXKXVRGFHGIQQ-SNAWJCMRSA-N -1 1 328.401 2.910 20 30 EFEDMM N#Cc1ccc(Sc2cnc(-c3nnn[n-]3)cn2)cc1C(F)(F)F ZINC001609499550 1098363748 /nfs/dbraw/zinc/36/37/48/1098363748.db2.gz WSWTYCKIGSSHJV-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1ccc(Sc2cnc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC001609499550 1098363749 /nfs/dbraw/zinc/36/37/49/1098363749.db2.gz WSWTYCKIGSSHJV-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC001269686664 1098367214 /nfs/dbraw/zinc/36/72/14/1098367214.db2.gz LYSIVENNOGCGFP-AWEZNQCLSA-N -1 1 348.830 2.590 20 30 EFEDMM C[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1OCC(=O)[O-] ZINC001609780428 1098456108 /nfs/dbraw/zinc/45/61/08/1098456108.db2.gz JFTBSVCBZOQQPF-CQSZACIVSA-N -1 1 340.379 2.903 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001610279241 1098599312 /nfs/dbraw/zinc/59/93/12/1098599312.db2.gz BANJKZLXPJVZAN-KRWDZBQOSA-N -1 1 328.343 2.930 20 30 EFEDMM COc1ccc(NN=Cc2cc(C)c(OCC(=O)[O-])c(C)c2)nc1 ZINC001610342090 1098628234 /nfs/dbraw/zinc/62/82/34/1098628234.db2.gz BPWAUDDAIIGAIY-UHFFFAOYSA-N -1 1 329.356 2.616 20 30 EFEDMM N#Cc1c(COC(=O)c2c(F)cc(O)cc2F)cccc1C(=O)[O-] ZINC001610625625 1098790649 /nfs/dbraw/zinc/79/06/49/1098790649.db2.gz YVLGTJZTHGVHJM-UHFFFAOYSA-N -1 1 333.246 2.597 20 30 EFEDMM N#Cc1ccccc1COc1cccc(CN[C@H](CF)C(=O)[O-])c1 ZINC001610632781 1098795546 /nfs/dbraw/zinc/79/55/46/1098795546.db2.gz GKBHEGKIUURSSL-QGZVFWFLSA-N -1 1 328.343 2.650 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@@H](O)c2cccc3ccccc32)cc1[O-] ZINC001632591653 1100486246 /nfs/dbraw/zinc/48/62/46/1100486246.db2.gz JDBSHKZZKGNEOK-LJQANCHMSA-N -1 1 332.359 2.880 20 30 EFEDMM Cc1cnc(SCc2nnc(-c3cccc(C#N)c3)o2)[n-]c1=O ZINC001641151931 1101107683 /nfs/dbraw/zinc/10/76/83/1101107683.db2.gz KVYKYURVOAKDBS-UHFFFAOYSA-N -1 1 325.353 2.705 20 30 EFEDMM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001649250281 1102063132 /nfs/dbraw/zinc/06/31/32/1102063132.db2.gz UKTAZCABKACEDH-QMMMGPOBSA-N -1 1 345.712 2.631 20 30 EFEDMM COCC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000905520398 1103302966 /nfs/dbraw/zinc/30/29/66/1103302966.db2.gz ZGAJUDJYHNNNFG-CYBMUJFWSA-N -1 1 331.750 2.570 20 30 EFEDMM N#CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436813588 1103471600 /nfs/dbraw/zinc/47/16/00/1103471600.db2.gz FATQYIDZFMJPIB-UHFFFAOYSA-N -1 1 345.305 2.566 20 30 EFEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc2c[nH]nc21 ZINC000129014296 1103636165 /nfs/dbraw/zinc/63/61/65/1103636165.db2.gz JQRZHPXLUNDAKT-AWEZNQCLSA-N -1 1 348.362 2.923 20 30 EFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841489851 1104029921 /nfs/dbraw/zinc/02/99/21/1104029921.db2.gz RLVHELPGHZTZEA-VIFPVBQESA-N -1 1 349.811 2.899 20 30 EFEDMM CC1(c2ccccc2)CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1 ZINC000729635343 1104639456 /nfs/dbraw/zinc/63/94/56/1104639456.db2.gz OTLUOINBXVIDPB-UHFFFAOYSA-N -1 1 339.420 2.833 20 30 EFEDMM C=C1CCC(C(=O)N[C@H](CC(C)C)c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000897598031 1105852822 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348.447 2.931 20 30 EFEDMM CC(C)(C)OC(=O)CCNN=Cc1ccc([O-])c(Br)c1 ZINC000783869044 1107218422 /nfs/dbraw/zinc/21/84/22/1107218422.db2.gz ROXXJUUFSIOBRM-UHFFFAOYSA-N -1 1 343.221 2.810 20 30 EFEDMM COc1cc(OC)nc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)n1 ZINC000904054261 1107554653 /nfs/dbraw/zinc/55/46/53/1107554653.db2.gz BIHUGIBFGUKRJS-UHFFFAOYSA-N -1 1 346.412 2.977 20 30 EFEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)cc1Cl ZINC000904048390 1107575252 /nfs/dbraw/zinc/57/52/52/1107575252.db2.gz QPDGHUNMIFMOCD-MRXNPFEDSA-N -1 1 349.818 2.862 20 30 EFEDMM CC(C)(C)n1cc(C(=O)C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC000904188987 1107700790 /nfs/dbraw/zinc/70/07/90/1107700790.db2.gz VLPRUXWHWFFBJV-UHFFFAOYSA-N -1 1 335.791 2.892 20 30 EFEDMM C=CCN1CC[C@@]2(CCCN(C(=O)c3ccc([O-])cc3F)CC2)C1=O ZINC001272224832 1108062530 /nfs/dbraw/zinc/06/25/30/1108062530.db2.gz QSMXHOUZQGBMRS-IBGZPJMESA-N -1 1 346.402 2.562 20 30 EFEDMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1cccc(F)c1C#N ZINC001089273230 1108370522 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/nfs/dbraw/zinc/13/04/46/475130446.db2.gz HQMMOWROZPUCMY-SSDOTTSWSA-N -1 1 347.209 2.537 20 30 EFEDMM Cc1cnc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c([O-])c1 ZINC000330324356 475228253 /nfs/dbraw/zinc/22/82/53/475228253.db2.gz UDDAOCJAEMHMSO-AWEZNQCLSA-N -1 1 331.416 2.581 20 30 EFEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000331229071 475323658 /nfs/dbraw/zinc/32/36/58/475323658.db2.gz ZNJYWXZYZKHAPG-YFKPBYRVSA-N -1 1 343.655 2.744 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CCC(C)C)[nH]n1 ZINC000345673264 475355142 /nfs/dbraw/zinc/35/51/42/475355142.db2.gz FSRLFZQCPYKSJW-UHFFFAOYSA-N -1 1 348.428 2.679 20 30 EFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000352780801 475618495 /nfs/dbraw/zinc/61/84/95/475618495.db2.gz VSPJWDFZSKNHDV-QGZVFWFLSA-N -1 1 332.363 2.849 20 30 EFEDMM COc1ccc([O-])c(S(=O)(=O)N(CCC#N)c2ccccc2)c1 ZINC000342774258 475638248 /nfs/dbraw/zinc/63/82/48/475638248.db2.gz FKJKVZWVXXNTBS-UHFFFAOYSA-N -1 1 332.381 2.510 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC(n3cc(Cl)cn3)CC2)cc1[O-] ZINC000332474874 475647105 /nfs/dbraw/zinc/64/71/05/475647105.db2.gz WGPSVDXVQBSRJJ-UHFFFAOYSA-N -1 1 330.775 2.591 20 30 EFEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000355084055 475653187 /nfs/dbraw/zinc/65/31/87/475653187.db2.gz OMWRAVMAMDMTPS-UHFFFAOYSA-N -1 1 330.365 2.536 20 30 EFEDMM Cc1nc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)[n-]c(=O)c1C ZINC000346718218 475796156 /nfs/dbraw/zinc/79/61/56/475796156.db2.gz UMRXERQCCBRELH-LLVKDONJSA-N -1 1 328.397 2.790 20 30 EFEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000358813996 475960655 /nfs/dbraw/zinc/96/06/55/475960655.db2.gz OGTLHFPCYJKNPM-UHFFFAOYSA-N -1 1 346.746 2.982 20 30 EFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000358835601 475976745 /nfs/dbraw/zinc/97/67/45/475976745.db2.gz WOSIXODBMZQRQM-CYBMUJFWSA-N -1 1 348.346 2.576 20 30 EFEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(F)c1 ZINC000357109098 476238145 /nfs/dbraw/zinc/23/81/45/476238145.db2.gz VVRMVBWFCFHMGM-UHFFFAOYSA-N -1 1 335.360 2.680 20 30 EFEDMM C[C@H](CC#N)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000353775671 476265276 /nfs/dbraw/zinc/26/52/76/476265276.db2.gz FTVFUMYMAFGQSY-MRVPVSSYSA-N -1 1 334.173 2.735 20 30 EFEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352196728 476542434 /nfs/dbraw/zinc/54/24/34/476542434.db2.gz DOVHZSBEIYEJHE-UHFFFAOYSA-N -1 1 327.340 2.914 20 30 EFEDMM C=CCCC1(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CC1 ZINC000354375947 476619496 /nfs/dbraw/zinc/61/94/96/476619496.db2.gz CSJLOZBETTVKPX-UHFFFAOYSA-N -1 1 338.429 2.752 20 30 EFEDMM Cc1csc(C(C#N)=C([O-])c2ccccc2CN2CCOCC2)n1 ZINC000430652645 476890570 /nfs/dbraw/zinc/89/05/70/476890570.db2.gz NTVFEJFBLLQYGM-INIZCTEOSA-N -1 1 341.436 2.774 20 30 EFEDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000431192879 476993274 /nfs/dbraw/zinc/99/32/74/476993274.db2.gz IMRYLRXSVNRJMD-UHFFFAOYSA-N -1 1 343.408 2.650 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)o1 ZINC000376244210 477248115 /nfs/dbraw/zinc/24/81/15/477248115.db2.gz SSHBCZFEDHVVBF-AWEZNQCLSA-N -1 1 345.405 2.676 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccncc3)cc2)o1 ZINC000376290608 477270613 /nfs/dbraw/zinc/27/06/13/477270613.db2.gz PXJWHDHKEMEJGL-UHFFFAOYSA-N -1 1 339.376 2.692 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)ccc1C#N ZINC000435713291 477356552 /nfs/dbraw/zinc/35/65/52/477356552.db2.gz CGVBXIMGXRDCMK-UHFFFAOYSA-N -1 1 341.392 2.552 20 30 EFEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435716602 477357007 /nfs/dbraw/zinc/35/70/07/477357007.db2.gz WISANXPSSQNDLV-UHFFFAOYSA-N -1 1 326.328 2.637 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1C ZINC000435747540 477363932 /nfs/dbraw/zinc/36/39/32/477363932.db2.gz JDENWCGVKWBMSD-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM C#CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000376515134 477377589 /nfs/dbraw/zinc/37/75/89/477377589.db2.gz NSTOAVMXSLXMMR-ZFWWWQNUSA-N -1 1 340.345 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/nfs/dbraw/zinc/49/68/05/477496805.db2.gz JTHREMZQEWTOBW-UHFFFAOYSA-N -1 1 342.376 2.781 20 30 EFEDMM C=C(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436862209 477617235 /nfs/dbraw/zinc/61/72/35/477617235.db2.gz GUIAORNBIMHNDH-KRWDZBQOSA-N -1 1 338.407 2.842 20 30 EFEDMM C=CCOCCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915080 477633407 /nfs/dbraw/zinc/63/34/07/477633407.db2.gz OLVVGYWBVRNWKC-UHFFFAOYSA-N -1 1 336.779 2.752 20 30 EFEDMM C=CCOCCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915080 477633415 /nfs/dbraw/zinc/63/34/15/477633415.db2.gz OLVVGYWBVRNWKC-UHFFFAOYSA-N -1 1 336.779 2.752 20 30 EFEDMM N#Cc1ccc(C2=CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436996041 477659916 /nfs/dbraw/zinc/65/99/16/477659916.db2.gz SAWFSPZGFGXMEO-UHFFFAOYSA-N -1 1 332.359 2.762 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000437489724 477711481 /nfs/dbraw/zinc/71/14/81/477711481.db2.gz JDLUNOHXOULDMY-RISCZKNCSA-N -1 1 340.217 2.866 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)o1 ZINC000367888108 477736924 /nfs/dbraw/zinc/73/69/24/477736924.db2.gz ARBLNKJUMLSJGK-QGZVFWFLSA-N -1 1 339.376 2.614 20 30 EFEDMM N#Cc1cnc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c(Cl)c1 ZINC000427906277 477785716 /nfs/dbraw/zinc/78/57/16/477785716.db2.gz HJLLGELTWIJCDH-UHFFFAOYSA-N -1 1 329.772 2.732 20 30 EFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000456255186 477839623 /nfs/dbraw/zinc/83/96/23/477839623.db2.gz BLCLHKNNWMBGBF-YPMHNXCESA-N -1 1 326.190 2.618 20 30 EFEDMM N#CC1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000558571936 477888413 /nfs/dbraw/zinc/88/84/13/477888413.db2.gz WDFUVXKHBLYLIS-UHFFFAOYSA-N -1 1 346.184 2.736 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000532712105 477975192 /nfs/dbraw/zinc/97/51/92/477975192.db2.gz QQEIVCXUNMPQAQ-UHFFFAOYSA-N -1 1 334.441 2.890 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000439619351 478008666 /nfs/dbraw/zinc/00/86/66/478008666.db2.gz FTBSUCLZDDYKRR-UHFFFAOYSA-N -1 1 326.381 2.663 20 30 EFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451491490 478048532 /nfs/dbraw/zinc/04/85/32/478048532.db2.gz FHIVSEXNVNFROX-ZBEGNZNMSA-N -1 1 339.388 2.831 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cc(F)cc32)o1 ZINC000451595292 478115110 /nfs/dbraw/zinc/11/51/10/478115110.db2.gz WFZYZXQKNJIJKL-CQSZACIVSA-N -1 1 338.335 2.785 20 30 EFEDMM CCc1ccc([C@@H](C#N)NC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000489966517 478294139 /nfs/dbraw/zinc/29/41/39/478294139.db2.gz PFCIVHJGBDFBHF-CQSZACIVSA-N -1 1 326.425 2.696 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(C3CCOCC3)s2)c1 ZINC000590773491 478332099 /nfs/dbraw/zinc/33/20/99/478332099.db2.gz HUMSFLISKYKGGG-UHFFFAOYSA-N -1 1 329.381 2.867 20 30 EFEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(=O)OC(C)(C)C ZINC000594394852 478361181 /nfs/dbraw/zinc/36/11/81/478361181.db2.gz SBOALHNPBGVBAR-AWEZNQCLSA-N -1 1 332.400 2.608 20 30 EFEDMM C=CCN(Cc1ncccc1[O-])[C@@H](Cc1ccccc1)C(=O)OCC 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342.420 2.629 20 30 EFEDMM CC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000564768024 478804573 /nfs/dbraw/zinc/80/45/73/478804573.db2.gz VZJKTPDABOZNCR-CYBMUJFWSA-N -1 1 344.477 2.500 20 30 EFEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000492287297 478910813 /nfs/dbraw/zinc/91/08/13/478910813.db2.gz CZPWXKOOHACUKA-UHFFFAOYSA-N -1 1 345.380 2.732 20 30 EFEDMM C=CCC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)OCC ZINC000601620148 478911237 /nfs/dbraw/zinc/91/12/37/478911237.db2.gz JADUNLVYDBTZJV-CYBMUJFWSA-N -1 1 325.792 2.602 20 30 EFEDMM C=CCN1C(=O)N=NC1SC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000565283922 478969108 /nfs/dbraw/zinc/96/91/08/478969108.db2.gz KWNXYQFTWLGUHU-GFCCVEGCSA-N -1 1 338.477 2.547 20 30 EFEDMM COCCCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000528913964 478985087 /nfs/dbraw/zinc/98/50/87/478985087.db2.gz PJSXGISPEPFZMP-INIZCTEOSA-N -1 1 334.379 2.958 20 30 EFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c(F)c1 ZINC000601961190 479096138 /nfs/dbraw/zinc/09/61/38/479096138.db2.gz AZYFNZUHRXYZGY-UHFFFAOYSA-N -1 1 334.376 2.810 20 30 EFEDMM Cc1cnc(OC(C)C)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000567998583 479119802 /nfs/dbraw/zinc/11/98/02/479119802.db2.gz SZOWHBUYVOKAAV-UHFFFAOYSA-N -1 1 325.434 2.859 20 30 EFEDMM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000584414129 479127278 /nfs/dbraw/zinc/12/72/78/479127278.db2.gz IZGRDEWFAVNLPI-UHFFFAOYSA-N -1 1 332.429 2.862 20 30 EFEDMM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000610915305 479231305 /nfs/dbraw/zinc/23/13/05/479231305.db2.gz OSKACYWQGDHZCG-RXMQYKEDSA-N -1 1 343.655 2.602 20 30 EFEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)c1 ZINC000611114202 479285316 /nfs/dbraw/zinc/28/53/16/479285316.db2.gz UDFZXOAMDAISTK-AWEZNQCLSA-N -1 1 344.383 2.724 20 30 EFEDMM N#CCCCCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC000599415256 479288732 /nfs/dbraw/zinc/28/87/32/479288732.db2.gz LYLSFOLXRKIGJR-CQSZACIVSA-N -1 1 330.400 2.866 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2nnsc2Cl)c1 ZINC000603418401 479378717 /nfs/dbraw/zinc/37/87/17/479378717.db2.gz RAWAPZYSSHROTA-JTQLQIEISA-N -1 1 342.833 2.902 20 30 EFEDMM COC(=O)c1cc(Cl)cc(NC(=O)c2cc([O-])cc(C#N)c2)c1O ZINC000588100219 479395093 /nfs/dbraw/zinc/39/50/93/479395093.db2.gz TYZQOUDVKJVLDG-UHFFFAOYSA-N -1 1 346.726 2.662 20 30 EFEDMM COc1ccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589157831 479487485 /nfs/dbraw/zinc/48/74/85/479487485.db2.gz VZJFDDVNZPEFHI-UHFFFAOYSA-N -1 1 326.352 2.553 20 30 EFEDMM CCOc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589168589 479490658 /nfs/dbraw/zinc/49/06/58/479490658.db2.gz CXXJOLYQGHLWMF-UHFFFAOYSA-N -1 1 326.352 2.601 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000589184060 479491864 /nfs/dbraw/zinc/49/18/64/479491864.db2.gz ZNLIIVYJYXFCTC-SFHVURJKSA-N -1 1 332.363 2.632 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000589183764 479492368 /nfs/dbraw/zinc/49/23/68/479492368.db2.gz MNJMZRGOSNXYQK-UHFFFAOYSA-N -1 1 339.351 2.925 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[nH][nH]2)c1 ZINC000589189131 479494382 /nfs/dbraw/zinc/49/43/82/479494382.db2.gz GMAQRVUBVWDASP-UHFFFAOYSA-N -1 1 340.289 2.606 20 30 EFEDMM COc1ccccc1OC[C@H](C)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589195504 479495411 /nfs/dbraw/zinc/49/54/11/479495411.db2.gz BCFDMFMCUYLWDH-CYBMUJFWSA-N -1 1 340.379 2.717 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000589196947 479496298 /nfs/dbraw/zinc/49/62/98/479496298.db2.gz YESFZEDPZZBECD-UHFFFAOYSA-N -1 1 337.335 2.977 20 30 EFEDMM CC[C@H](C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(=O)OC(C)(C)C ZINC000589195036 479496749 /nfs/dbraw/zinc/49/67/49/479496749.db2.gz CCRCJAQFTWBREG-NHYWBVRUSA-N -1 1 332.400 2.750 20 30 EFEDMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589197123 479496906 /nfs/dbraw/zinc/49/69/06/479496906.db2.gz BWZABWGBQLPPEU-KZULUSFZSA-N -1 1 340.379 2.778 20 30 EFEDMM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589206303 479497649 /nfs/dbraw/zinc/49/76/49/479497649.db2.gz WZFIOMARFNNDKA-GFCCVEGCSA-N -1 1 338.363 2.868 20 30 EFEDMM COC(=O)CC1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCCC1 ZINC000589205342 479498890 /nfs/dbraw/zinc/49/88/90/479498890.db2.gz WROQKUULIUUWGT-UHFFFAOYSA-N -1 1 330.384 2.507 20 30 EFEDMM CCOc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)CCO2 ZINC000589207629 479500298 /nfs/dbraw/zinc/50/02/98/479500298.db2.gz KXFQNYDHXHNNPJ-QGZVFWFLSA-N -1 1 338.363 2.916 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nccn1-c1ccccc1 ZINC000589528115 479537055 /nfs/dbraw/zinc/53/70/55/479537055.db2.gz QYDZAUATZBKDHX-ZDUSSCGKSA-N -1 1 332.363 2.941 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000589522304 479537197 /nfs/dbraw/zinc/53/71/97/479537197.db2.gz IUEFSQRLUDVIPN-INIZCTEOSA-N -1 1 330.771 2.771 20 30 EFEDMM Cc1[nH]nc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c1[O-] ZINC000589541864 479538304 /nfs/dbraw/zinc/53/83/04/479538304.db2.gz MYHCNXVPMUMISX-UHFFFAOYSA-N -1 1 335.323 2.735 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000589541727 479538738 /nfs/dbraw/zinc/53/87/38/479538738.db2.gz KMZKCRVSMMWAHA-QGZVFWFLSA-N -1 1 333.391 2.541 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1 ZINC000589585044 479540978 /nfs/dbraw/zinc/54/09/78/479540978.db2.gz IBEVIXNZRKRFEN-UHFFFAOYSA-N -1 1 338.392 2.739 20 30 EFEDMM C[C@@H](CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000589895998 479581193 /nfs/dbraw/zinc/58/11/93/479581193.db2.gz WFGZEENRDBUWKU-GJZGRUSLSA-N -1 1 338.407 2.891 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1F ZINC000589961884 479587004 /nfs/dbraw/zinc/58/70/04/479587004.db2.gz KJYLDMZHPGRVJO-UHFFFAOYSA-N -1 1 348.355 2.659 20 30 EFEDMM C[C@H](c1ccsc1)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000618939885 479647050 /nfs/dbraw/zinc/64/70/50/479647050.db2.gz GYMMAQWIVOYFKT-CYBMUJFWSA-N -1 1 341.436 2.844 20 30 EFEDMM 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Cn1ccnc1COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614297194 480258491 /nfs/dbraw/zinc/25/84/91/480258491.db2.gz UYSSDQCOQARYLC-UHFFFAOYSA-N -1 1 348.362 2.829 20 30 EFEDMM CCc1ccc([C@H]2COCCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614299403 480259660 /nfs/dbraw/zinc/25/96/60/480259660.db2.gz XETUYMIQJXCBKE-MRXNPFEDSA-N -1 1 326.352 2.633 20 30 EFEDMM COc1cc(F)c([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000614369218 480285330 /nfs/dbraw/zinc/28/53/30/480285330.db2.gz NRABWEJOFNZJQL-SNVBAGLBSA-N -1 1 344.342 2.911 20 30 EFEDMM Cc1nc2sccn2c1CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614370600 480285606 /nfs/dbraw/zinc/28/56/06/480285606.db2.gz SGZSECJKSBUNDA-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM O=c1[n-]n(CC(F)(F)C(F)(F)F)c(=O)c2cc(F)c(F)cc12 ZINC000634604868 480374629 /nfs/dbraw/zinc/37/46/29/480374629.db2.gz VHLYFRCLJQLWEC-UHFFFAOYSA-N -1 1 330.159 2.578 20 30 EFEDMM N#C[C@H]1CC[C@@H](NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000644978004 480662946 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EFEDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000076839189 524057980 /nfs/dbraw/zinc/05/79/80/524057980.db2.gz TWLWSIASAIQTCJ-UHFFFAOYSA-N -1 1 349.343 2.969 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000116601910 526010243 /nfs/dbraw/zinc/01/02/43/526010243.db2.gz ZCMBYHGKFHGIBO-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM C=CCCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000175155107 527111923 /nfs/dbraw/zinc/11/19/23/527111923.db2.gz YQASKZFTFAKTDY-UHFFFAOYSA-N -1 1 340.445 2.718 20 30 EFEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000342787736 535702933 /nfs/dbraw/zinc/70/29/33/535702933.db2.gz KZQFICFPZKXJAO-UHFFFAOYSA-N -1 1 348.355 2.675 20 30 EFEDMM CCc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000342612692 535939874 /nfs/dbraw/zinc/93/98/74/535939874.db2.gz YMWLZNDGOAIPKY-UHFFFAOYSA-N -1 1 336.363 2.877 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000755640957 575612327 /nfs/dbraw/zinc/61/23/27/575612327.db2.gz UJQDYHBMQWKLBN-UHFFFAOYSA-N -1 1 337.763 2.552 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C[C@H]2C[C@@H]2c2ccccc2)c2ccccc21 ZINC000755640226 575612339 /nfs/dbraw/zinc/61/23/39/575612339.db2.gz MCMYMIBSUFHFKW-UKRRQHHQSA-N -1 1 325.393 2.515 20 30 EFEDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1C#N ZINC000756369003 575724822 /nfs/dbraw/zinc/72/48/22/575724822.db2.gz XLYNYRRVXOPPIR-MRXNPFEDSA-N -1 1 332.306 2.761 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(NC(C)=O)cc1 ZINC000756905766 575799688 /nfs/dbraw/zinc/79/96/88/575799688.db2.gz IXPPDVLAJFEMSV-UHFFFAOYSA-N -1 1 327.340 2.798 20 30 EFEDMM COc1ccc(O)c(C(=O)/C=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000757467772 575839857 /nfs/dbraw/zinc/83/98/57/575839857.db2.gz KVRCNWJFYYTPBF-HWKANZROSA-N -1 1 345.307 2.919 20 30 EFEDMM O=C(/C=C\c1ccc(N2CCOCC2)c(F)c1)c1cc(O)ccc1[O-] ZINC000757467938 575839992 /nfs/dbraw/zinc/83/99/92/575839992.db2.gz PBNICJNEGUXCMT-DJWKRKHSSA-N -1 1 343.354 2.970 20 30 EFEDMM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC000757471672 575840075 /nfs/dbraw/zinc/84/00/75/575840075.db2.gz ITKAUSZIICRUDQ-RUDMXATFSA-N -1 1 328.320 2.760 20 30 EFEDMM COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC000757471674 575840245 /nfs/dbraw/zinc/84/02/45/575840245.db2.gz ITKAUSZIICRUDQ-WTKPLQERSA-N -1 1 328.320 2.760 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C/C=C\c2ccc(F)cc2F)c2ccccc21 ZINC000758105514 575859984 /nfs/dbraw/zinc/85/99/84/575859984.db2.gz VZQXJMZQKMAMLL-TWUMCCCFSA-N -1 1 347.346 2.703 20 30 EFEDMM COC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000758433272 575869605 /nfs/dbraw/zinc/86/96/05/575869605.db2.gz GGRPGWHTTJXFMZ-LRAPTIAOSA-N -1 1 342.347 2.934 20 30 EFEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc2[nH]1 ZINC000759148185 575885648 /nfs/dbraw/zinc/88/56/48/575885648.db2.gz PIAMCLLGBTUUFS-UHFFFAOYSA-N -1 1 330.344 2.683 20 30 EFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cncnc1 ZINC000761092022 576112493 /nfs/dbraw/zinc/11/24/93/576112493.db2.gz FHAOXHCGXXGSOM-SNVBAGLBSA-N -1 1 335.150 2.745 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)nc2Cl)c(=O)o1 ZINC000761475157 576167914 /nfs/dbraw/zinc/16/79/14/576167914.db2.gz MVHDFGYVQXVVEN-QQHVMHFCSA-N -1 1 326.135 2.617 20 30 EFEDMM CN(C)c1ccc2c(c1)NC(=O)C2=N[N-]c1nc(-c2ccccc2)no1 ZINC000761804566 576213632 /nfs/dbraw/zinc/21/36/32/576213632.db2.gz VMGWAAUCIWNCHU-UHFFFAOYSA-N -1 1 348.366 2.571 20 30 EFEDMM CN(C)c1ccc2c(c1)NC(=O)C2=NN=c1nc(-c2ccccc2)[n-]o1 ZINC000761804566 576213633 /nfs/dbraw/zinc/21/36/33/576213633.db2.gz VMGWAAUCIWNCHU-UHFFFAOYSA-N -1 1 348.366 2.571 20 30 EFEDMM COc1cc(F)ccc1NN=Cc1n[nH]c2cc(C(=O)[O-])ccc12 ZINC000761889248 576225904 /nfs/dbraw/zinc/22/59/04/576225904.db2.gz CNLMSEXUIKWEHE-UHFFFAOYSA-N -1 1 328.303 2.855 20 30 EFEDMM CCOc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000765542143 577053124 /nfs/dbraw/zinc/05/31/24/577053124.db2.gz GRZZWAXIIMXTCQ-UHFFFAOYSA-N -1 1 331.332 2.634 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNc3cccc([N+](=O)[O-])c3)n[nH]c2c1 ZINC000765547509 577053236 /nfs/dbraw/zinc/05/32/36/577053236.db2.gz BKNATWKIIUJUOV-UHFFFAOYSA-N -1 1 325.284 2.615 20 30 EFEDMM Cc1c(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)cccc1[N+](=O)[O-] ZINC000765572435 577055364 /nfs/dbraw/zinc/05/53/64/577055364.db2.gz RMJLNOQDALDCFJ-UHFFFAOYSA-N -1 1 339.311 2.924 20 30 EFEDMM C[C@H]1CC(C)(C)CC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000766012983 577098497 /nfs/dbraw/zinc/09/84/97/577098497.db2.gz MKLRCCCRXJMSEL-NSHDSACASA-N -1 1 339.417 2.826 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccccc2Cl)o1 ZINC000766482970 577157089 /nfs/dbraw/zinc/15/70/89/577157089.db2.gz QGRBHAHGHFDCHT-UHFFFAOYSA-N -1 1 332.772 2.723 20 30 EFEDMM C[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000767379922 577206819 /nfs/dbraw/zinc/20/68/19/577206819.db2.gz NBIVNCDILRRLPZ-NWDGAFQWSA-N -1 1 339.417 2.826 20 30 EFEDMM C[C@H]1CCC[C@@H](C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000768367021 577269000 /nfs/dbraw/zinc/26/90/00/577269000.db2.gz LXJIYKHPNVLSRQ-NWDGAFQWSA-N -1 1 325.390 2.685 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C(Cc2ccccc2)C(F)F)c2ccccc21 ZINC000769569766 577372930 /nfs/dbraw/zinc/37/29/30/577372930.db2.gz ILJFLIIYOZWBQF-UHFFFAOYSA-N -1 1 349.362 2.589 20 30 EFEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2ccccc2F)c1 ZINC000726736522 577381946 /nfs/dbraw/zinc/38/19/46/577381946.db2.gz LPHPUEDUZQURON-UHFFFAOYSA-N -1 1 347.371 2.638 20 30 EFEDMM COc1cccc([C@H](C#N)NC(=O)c2cc(F)ccc2[O-])c1OC ZINC000769768184 577384110 /nfs/dbraw/zinc/38/41/10/577384110.db2.gz GJWMTDOFHYQOEA-ZDUSSCGKSA-N -1 1 330.315 2.543 20 30 EFEDMM CCCCC(COC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769811945 577387189 /nfs/dbraw/zinc/38/71/89/577387189.db2.gz GKBNARKEXKSYMY-UHFFFAOYSA-N -1 1 334.424 2.891 20 30 EFEDMM COc1ccc([C@@H](C)C(C)=NNc2nc(=O)c3cnn(C)c3[n-]2)cc1 ZINC000769818275 577387599 /nfs/dbraw/zinc/38/75/99/577387599.db2.gz SKJYNVWWWIRGKO-JTQLQIEISA-N -1 1 340.387 2.669 20 30 EFEDMM CCc1cccc2c(CN=Nc3nc4c(cnn4C)c(=O)[n-]3)c[nH]c21 ZINC000769817888 577387635 /nfs/dbraw/zinc/38/76/35/577387635.db2.gz DEFPENZDNWITAS-UHFFFAOYSA-N -1 1 335.371 2.559 20 30 EFEDMM CC(C)C(Cc1ccc(F)cc1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819358 577387833 /nfs/dbraw/zinc/38/78/33/577387833.db2.gz MIXKPQDUXZQBTI-UHFFFAOYSA-N -1 1 342.378 2.875 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)ccc1[N+](=O)[O-] ZINC000770572147 581111561 /nfs/dbraw/zinc/11/15/61/581111561.db2.gz MHMZNSOZPIJRRV-ZZXKWVIFSA-N -1 1 343.291 2.903 20 30 EFEDMM C[C@@H](C#N)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000770933346 581153108 /nfs/dbraw/zinc/15/31/08/581153108.db2.gz QOGTYOJVPJSYFZ-ZDUSSCGKSA-N -1 1 344.392 2.804 20 30 EFEDMM C[C@@H](C#N)COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000770948655 581155394 /nfs/dbraw/zinc/15/53/94/581155394.db2.gz FOZPQYMSVQOMTP-ZDUSSCGKSA-N -1 1 344.392 2.804 20 30 EFEDMM CN1CCN(c2ccc(C=[NH+][N-]c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000771551529 581222268 /nfs/dbraw/zinc/22/22/68/581222268.db2.gz CSOJNPGZNSNLRX-UHFFFAOYSA-N -1 1 338.411 2.583 20 30 EFEDMM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000772807039 581370459 /nfs/dbraw/zinc/37/04/59/581370459.db2.gz OXYRGUSBGLZBSX-VMPITWQZSA-N -1 1 327.292 2.824 20 30 EFEDMM COc1c([O-])c(C=NNC(=S)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000773004583 581387039 /nfs/dbraw/zinc/38/70/39/581387039.db2.gz GFEADIMBFYRWAW-UHFFFAOYSA-N -1 1 346.368 2.630 20 30 EFEDMM COc1c([O-])c(C=NNCc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000773056429 581391534 /nfs/dbraw/zinc/39/15/34/581391534.db2.gz WPWLUJSLLJONJZ-UHFFFAOYSA-N -1 1 337.282 2.711 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773872356 581471230 /nfs/dbraw/zinc/47/12/30/581471230.db2.gz KHOXUFLEVXEDEI-UHFFFAOYSA-N -1 1 338.436 2.889 20 30 EFEDMM C=CCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000735415968 598824064 /nfs/dbraw/zinc/82/40/64/598824064.db2.gz BJXBSBSLZMEMIL-UHFFFAOYSA-N -1 1 346.188 2.520 20 30 EFEDMM C=CCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735431890 598888344 /nfs/dbraw/zinc/88/83/44/598888344.db2.gz KHNJCSLUHYDZKR-UHFFFAOYSA-N -1 1 340.412 2.580 20 30 EFEDMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(C#N)cc1 ZINC000736134293 598572511 /nfs/dbraw/zinc/57/25/11/598572511.db2.gz AYJQCMJMCBPMCP-SECBINFHSA-N -1 1 325.763 2.960 20 30 EFEDMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(C#N)cc1 ZINC000736134293 598572513 /nfs/dbraw/zinc/57/25/13/598572513.db2.gz AYJQCMJMCBPMCP-SECBINFHSA-N -1 1 325.763 2.960 20 30 EFEDMM N#Cc1ccc(CN2CCCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000739119311 599846196 /nfs/dbraw/zinc/84/61/96/599846196.db2.gz YUNYFRDULKONNZ-UHFFFAOYSA-N -1 1 339.395 2.557 20 30 EFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000736203948 600362547 /nfs/dbraw/zinc/36/25/47/600362547.db2.gz WTFZCUJQBLARHY-CHWSQXEVSA-N -1 1 349.456 2.529 20 30 EFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000739106146 600572931 /nfs/dbraw/zinc/57/29/31/600572931.db2.gz PZVMSXMVJKXHAP-KBPBESRZSA-N -1 1 342.317 2.727 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000825702505 601037678 /nfs/dbraw/zinc/03/76/78/601037678.db2.gz PFUVBZIQWHPUFI-KRWDZBQOSA-N -1 1 334.441 2.746 20 30 EFEDMM N#Cc1cccc([C@@H](NCc2cnn(-c3ccccc3)c2)C(=O)[O-])c1 ZINC000833076107 601299936 /nfs/dbraw/zinc/29/99/36/601299936.db2.gz PYPDKMAPUOCUQC-GOSISDBHSA-N -1 1 332.363 2.659 20 30 EFEDMM CCC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828574102 601300845 /nfs/dbraw/zinc/30/08/45/601300845.db2.gz IXAWXUBFXYIOIS-SFHVURJKSA-N -1 1 337.379 2.822 20 30 EFEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000827717910 601301694 /nfs/dbraw/zinc/30/16/94/601301694.db2.gz MVJKRRJCRSPKDM-MEDUHNTESA-N -1 1 325.324 2.943 20 30 EFEDMM N#Cc1cccc([C@@H](OC(=O)c2cc(-c3ccco3)n[nH]2)C(=O)[O-])c1 ZINC000833077401 601347998 /nfs/dbraw/zinc/34/79/98/601347998.db2.gz RKXBKCZNGQJJTB-OAHLLOKOSA-N -1 1 337.291 2.524 20 30 EFEDMM N#Cc1cccc([C@@H](OC(=O)c2c(F)cc(O)cc2F)C(=O)[O-])c1 ZINC000833077295 601354039 /nfs/dbraw/zinc/35/40/39/601354039.db2.gz OOIOSZZTUHUAPT-CQSZACIVSA-N -1 1 333.246 2.525 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000825702276 601500717 /nfs/dbraw/zinc/50/07/17/601500717.db2.gz HMRRNUIZKOKBAO-QWHCGFSZSA-N -1 1 334.441 2.556 20 30 EFEDMM C=CCn1c2ccccc2n(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825705832 601816950 /nfs/dbraw/zinc/81/69/50/601816950.db2.gz SUAJIKIBLXECKK-STQMWFEESA-N -1 1 331.441 2.968 20 30 EFEDMM C[C@]1(C(=O)[O-])CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000828023813 601933518 /nfs/dbraw/zinc/93/35/18/601933518.db2.gz CSEHYXIEPOQUBJ-IBGZPJMESA-N -1 1 339.395 2.534 20 30 EFEDMM C[C@@H](Oc1ccc(CN=Nc2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000794896174 602072370 /nfs/dbraw/zinc/07/23/70/602072370.db2.gz WJTCETGFYJOMIE-GFCCVEGCSA-N -1 1 338.367 2.871 20 30 EFEDMM C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1CCCCCC1 ZINC000833408960 604582397 /nfs/dbraw/zinc/58/23/97/604582397.db2.gz GJEPDXDJBSFLDF-ZDUSSCGKSA-N -1 1 330.384 2.564 20 30 EFEDMM C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409555 604928207 /nfs/dbraw/zinc/92/82/07/604928207.db2.gz OSJIYVDCOIVEPT-HIFRSBDPSA-N -1 1 343.427 2.708 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833697879 604967984 /nfs/dbraw/zinc/96/79/84/604967984.db2.gz MPTHHMKJLKNFJI-IIMQCXAKSA-N -1 1 342.439 2.806 20 30 EFEDMM C[C@H](Oc1ccc(CNCc2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000833539303 605090054 /nfs/dbraw/zinc/09/00/54/605090054.db2.gz HDDZJXIXLAWGEX-LBPRGKRZSA-N -1 1 328.343 2.839 20 30 EFEDMM COc1ccc([C@@H](C)C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC000821777401 606166004 /nfs/dbraw/zinc/16/60/04/606166004.db2.gz DZOWZYWOLXZIFN-VIFPVBQESA-N -1 1 341.375 2.763 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2c3cccc(F)c3CC[C@H]2C)o1 ZINC000822422646 606238214 /nfs/dbraw/zinc/23/82/14/606238214.db2.gz AWHLWKASFWMIFM-MRVPVSSYSA-N -1 1 341.350 2.701 20 30 EFEDMM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821838433 606387164 /nfs/dbraw/zinc/38/71/64/606387164.db2.gz NKFVXWMBGNVTJX-GQCTYLIASA-N -1 1 342.380 2.842 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(CC(C)C)cc2)o1 ZINC000822422822 606703208 /nfs/dbraw/zinc/70/32/08/606703208.db2.gz DCOQIMNAVUDKGX-UHFFFAOYSA-N -1 1 325.376 2.808 20 30 EFEDMM Cc1cc(N)ccc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000823963134 607964984 /nfs/dbraw/zinc/96/49/84/607964984.db2.gz WDFWIEHXKDDXLD-UHFFFAOYSA-N -1 1 340.391 2.705 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cccc(C#N)c2F)n1 ZINC000826324443 608669552 /nfs/dbraw/zinc/66/95/52/608669552.db2.gz QZRRZDLNBUJSNB-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM N#Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000826385412 609472620 /nfs/dbraw/zinc/47/26/20/609472620.db2.gz LDFSMPNESBGXNE-UHFFFAOYSA-N -1 1 329.776 2.899 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(F)c3F)C2)C1=O ZINC001272724948 1253075924 /nfs/dbraw/zinc/07/59/24/1253075924.db2.gz RVIONVJPKNCAQG-GOSISDBHSA-N -1 1 336.382 2.671 20 30 EFEDMM C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062149888 1260179823 /nfs/dbraw/zinc/17/98/23/1260179823.db2.gz OLRTVXWBUIILMG-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)OCC#N)cc1 ZINC000785446327 1260407158 /nfs/dbraw/zinc/40/71/58/1260407158.db2.gz DPOLHISEBABIKB-UHFFFAOYSA-N -1 1 348.355 2.615 20 30 EFEDMM C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066181305 1266698591 /nfs/dbraw/zinc/69/85/91/1266698591.db2.gz OXVDTODSLDUJGP-AWEZNQCLSA-N -1 1 345.443 2.500 20 30 EFEDMM C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066078939 1266555540 /nfs/dbraw/zinc/55/55/40/1266555540.db2.gz QHHXZJVUSVBBNC-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM CC(C)(C)CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(F)cc1 ZINC000734299478 1266940869 /nfs/dbraw/zinc/94/08/69/1266940869.db2.gz ONUKFDKAAHIRBU-UHFFFAOYSA-N -1 1 342.378 2.824 20 30 EFEDMM CNc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc(Cl)n1 ZINC000735911945 1267454420 /nfs/dbraw/zinc/45/44/20/1267454420.db2.gz ZMWLHRDTRKOHSG-LLVKDONJSA-N -1 1 344.806 2.585 20 30 EFEDMM CCCCCCCCC/C=C/C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000736448065 1267616605 /nfs/dbraw/zinc/61/66/05/1267616605.db2.gz JLJVKDAXWKAVPR-AUECHBEKSA-N -1 1 335.452 2.797 20 30 EFEDMM C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC001078925219 1268553108 /nfs/dbraw/zinc/55/31/08/1268553108.db2.gz JRGKMGOUCUZKMG-OAHLLOKOSA-N -1 1 345.443 2.597 20 30 EFEDMM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(F)cc1O ZINC001273374299 1269143696 /nfs/dbraw/zinc/14/36/96/1269143696.db2.gz LBJAPKJSWYNHPW-HZPDHXFCSA-N -1 1 336.382 2.812 20 30 EFEDMM C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429668 1270340625 /nfs/dbraw/zinc/34/06/25/1270340625.db2.gz SFBVMTDFGVHFQZ-HUUCEWRRSA-N -1 1 345.443 2.500 20 30 EFEDMM COC(=O)n1ncc(C#N)c1[N-]c1nc(Cl)ncc1C(F)(F)F ZINC001169962015 1273283159 /nfs/dbraw/zinc/28/31/59/1273283159.db2.gz HNOHGBNUKDQEIX-UHFFFAOYSA-N -1 1 346.656 2.575 20 30 EFEDMM COc1ccccc1-c1nnc([N-]C(=O)c2ccc(C#N)o2)s1 ZINC001129220967 1274913992 /nfs/dbraw/zinc/91/39/92/1274913992.db2.gz LBDROTQXZNVQMQ-UHFFFAOYSA-N -1 1 326.337 2.931 20 30 EFEDMM N#Cc1c(Nc2[n-]c(=O)nc3nc[nH]c32)nccc1-c1ccccc1 ZINC001170222335 1278930030 /nfs/dbraw/zinc/93/00/30/1278930030.db2.gz AZGIDOKFPJVNEW-UHFFFAOYSA-N -1 1 329.323 2.736 20 30 EFEDMM CC(N=Nc1cnccn1)c1cc(Br)c(F)cc1[O-] ZINC000746565355 1275231051 /nfs/dbraw/zinc/23/10/51/1275231051.db2.gz PBJJUPLJHFBQGN-UHFFFAOYSA-N -1 1 325.141 2.920 20 30 EFEDMM O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000788246669 1276105728 /nfs/dbraw/zinc/10/57/28/1276105728.db2.gz KXVZTPJPIYJHBA-UHFFFAOYSA-N -1 1 336.347 2.594 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=C2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000788407406 1276170631 /nfs/dbraw/zinc/17/06/31/1276170631.db2.gz GBVUYWUYNXUPEW-UHFFFAOYSA-N -1 1 327.344 2.896 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)CC(C)C)c(=O)[n-]1 ZINC000818515648 1276524648 /nfs/dbraw/zinc/52/46/48/1276524648.db2.gz OYCVKQQFVIVJRM-UHFFFAOYSA-N -1 1 336.461 2.543 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1nc(C2CCCCC2)no1 ZINC000790029700 1277200387 /nfs/dbraw/zinc/20/03/87/1277200387.db2.gz PJMRXXCMCPHOCM-NSHDSACASA-N -1 1 340.449 2.647 20 30 EFEDMM Cn1c(=O)c2ccccc2nc1NN=Cc1c([O-])ccc(Cl)c1F ZINC000790154133 1277295497 /nfs/dbraw/zinc/29/54/97/1277295497.db2.gz RTEIMBYIFGNSRB-UHFFFAOYSA-N -1 1 346.749 2.878 20 30 EFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NC(=N)c2nccs2)n1 ZINC001157492183 1277304597 /nfs/dbraw/zinc/30/45/97/1277304597.db2.gz IVYTWETVULDQBF-LNKIKWGQSA-N -1 1 328.810 2.554 20 30 EFEDMM O=S(=O)(NN=Cc1c([O-])ccc(Cl)c1F)c1ccc(F)cc1 ZINC000790166575 1277309593 /nfs/dbraw/zinc/30/95/93/1277309593.db2.gz MENHSQIPWMTCKS-UHFFFAOYSA-N -1 1 346.742 2.636 20 30 EFEDMM CCCC(=O)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001144030174 1279050175 /nfs/dbraw/zinc/05/01/75/1279050175.db2.gz MBQWUBHAFYJALZ-RQZCQDPDSA-N -1 1 344.396 2.529 20 30 EFEDMM CC(C)O[C@@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)c1ccccc1 ZINC000793011403 1279326984 /nfs/dbraw/zinc/32/69/84/1279326984.db2.gz DBURKBDCKNUICC-AWEZNQCLSA-N -1 1 340.387 2.633 20 30 EFEDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1F ZINC000793428377 1279641857 /nfs/dbraw/zinc/64/18/57/1279641857.db2.gz AUABYPKFBSKXCY-SECBINFHSA-N -1 1 338.335 2.691 20 30 EFEDMM N#Cc1cccc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)c1 ZINC001144659365 1279989181 /nfs/dbraw/zinc/98/91/81/1279989181.db2.gz GCBUXEGSSOVKMU-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM O=C(C=CC(=O)c1ccccc1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001144702919 1280010324 /nfs/dbraw/zinc/01/03/24/1280010324.db2.gz JMFZGNRGSSDQDF-VAWYXSNFSA-N -1 1 333.347 2.956 20 30 EFEDMM CC#CCCCC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806017278 1280039605 /nfs/dbraw/zinc/03/96/05/1280039605.db2.gz WJURODSZVNSACO-UHFFFAOYSA-N -1 1 339.395 2.832 20 30 EFEDMM Cc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)ccc1-n1cncn1 ZINC000806558436 1281094497 /nfs/dbraw/zinc/09/44/97/1281094497.db2.gz CKEGRNRTJVKTIO-CLTKARDFSA-N -1 1 349.346 2.876 20 30 EFEDMM Cc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)ccc1-n1cncn1 ZINC000806558437 1281094604 /nfs/dbraw/zinc/09/46/04/1281094604.db2.gz CKEGRNRTJVKTIO-XVNBXDOJSA-N -1 1 349.346 2.876 20 30 EFEDMM CCOC(=O)c1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)o1 ZINC000806561639 1281095714 /nfs/dbraw/zinc/09/57/14/1281095714.db2.gz XIOILJRIJVOAKA-QPJJXVBHSA-N -1 1 330.292 2.756 20 30 EFEDMM COc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC000806559011 1281096588 /nfs/dbraw/zinc/09/65/88/1281096588.db2.gz RVBRTAKTWZJUFP-WAYWQWQTSA-N -1 1 343.291 2.903 20 30 EFEDMM Cc1ccccc1-n1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)nn1 ZINC000806573322 1281099048 /nfs/dbraw/zinc/09/90/48/1281099048.db2.gz HYCCYJVQKJTDNR-VQHVLOKHSA-N -1 1 349.346 2.876 20 30 EFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)C ZINC000798472888 1281297844 /nfs/dbraw/zinc/29/78/44/1281297844.db2.gz XOKKFYCXBQQQJC-LLVKDONJSA-N -1 1 334.210 2.524 20 30 EFEDMM C#CCOc1ccccc1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747395171 1281299892 /nfs/dbraw/zinc/29/98/92/1281299892.db2.gz GGJRAQGRUIJQCP-UHFFFAOYSA-N -1 1 339.395 2.556 20 30 EFEDMM C=CCOc1ccccc1[C@H](C)NC(=O)c1c([O-])c(C)ncc1CO ZINC001147844304 1281317450 /nfs/dbraw/zinc/31/74/50/1281317450.db2.gz NKDRBOGJDRZRFQ-LBPRGKRZSA-N -1 1 342.395 2.644 20 30 EFEDMM C=CCOc1ccccc1[C@@H](C)NC(=O)c1c([O-])c(C)ncc1CO ZINC001147844302 1281318609 /nfs/dbraw/zinc/31/86/09/1281318609.db2.gz NKDRBOGJDRZRFQ-GFCCVEGCSA-N -1 1 342.395 2.644 20 30 EFEDMM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1cc(C#N)ccc1Cl ZINC000808019986 1281501904 /nfs/dbraw/zinc/50/19/04/1281501904.db2.gz NSDMILMXIOEWFK-UHFFFAOYSA-N -1 1 344.783 2.675 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000808114135 1281541672 /nfs/dbraw/zinc/54/16/72/1281541672.db2.gz RMKYWBASFBRXGG-UHFFFAOYSA-N -1 1 332.765 2.919 20 30 EFEDMM CC(=O)c1cc(C(=O)Nc2nc3ncccc3cc2C#N)ccc1[O-] ZINC001148655448 1281676784 /nfs/dbraw/zinc/67/67/84/1281676784.db2.gz CQGCQFMJMWZJQJ-UHFFFAOYSA-N -1 1 332.319 2.662 20 30 EFEDMM COC(=O)c1scc(C#N)c1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148656281 1281682542 /nfs/dbraw/zinc/68/25/42/1281682542.db2.gz QPPMAENYQOAPJQ-UHFFFAOYSA-N -1 1 344.348 2.567 20 30 EFEDMM CC(C)(C)c1noc([N-]c2cnc(N)nc2C(F)(F)F)c1C#N ZINC001175675169 1287518676 /nfs/dbraw/zinc/51/86/76/1287518676.db2.gz ZQOGHFZZPJPGSS-UHFFFAOYSA-N -1 1 326.282 2.978 20 30 EFEDMM CC(C)C[C@H](C#N)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148995291 1281828074 /nfs/dbraw/zinc/82/80/74/1281828074.db2.gz CRWWAQCMYAZHDP-SECBINFHSA-N -1 1 327.178 2.528 20 30 EFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccnn1CC1CCC1 ZINC000872360217 1287551167 /nfs/dbraw/zinc/55/11/67/1287551167.db2.gz DVVJOEUFPMAWDH-UHFFFAOYSA-N -1 1 328.372 2.836 20 30 EFEDMM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc([O-])cc(C#N)c1 ZINC000809541909 1282277699 /nfs/dbraw/zinc/27/76/99/1282277699.db2.gz QAAVWAKIEPEPTA-UHFFFAOYSA-N -1 1 343.770 2.628 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000809573638 1282290541 /nfs/dbraw/zinc/29/05/41/1282290541.db2.gz TVPFEBZPAOPKAI-LJQANCHMSA-N -1 1 336.391 2.850 20 30 EFEDMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000809616202 1282321049 /nfs/dbraw/zinc/32/10/49/1282321049.db2.gz SLKHFWBKFSQVHV-UHFFFAOYSA-N -1 1 332.363 2.722 20 30 EFEDMM CCN(CCCNC(=O)c1cc([O-])cc(C#N)c1)C(=O)OC(C)(C)C ZINC000809605446 1282340675 /nfs/dbraw/zinc/34/06/75/1282340675.db2.gz IWBINGQHESSBMJ-UHFFFAOYSA-N -1 1 347.415 2.641 20 30 EFEDMM Cc1ccc(N2CCC[C@H](NC(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000809696055 1282379999 /nfs/dbraw/zinc/37/99/99/1282379999.db2.gz XOGPKIRDAPPCPP-KRWDZBQOSA-N -1 1 335.407 2.971 20 30 EFEDMM CC(C)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)NC(=O)OC(C)(C)C ZINC000809682531 1282403682 /nfs/dbraw/zinc/40/36/82/1282403682.db2.gz SMXCIFCSXMKZLJ-HNNXBMFYSA-N -1 1 347.415 2.543 20 30 EFEDMM C[C@@](O)(CNC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000809767600 1282430258 /nfs/dbraw/zinc/43/02/58/1282430258.db2.gz PAFJXVZSEWRUQH-QGZVFWFLSA-N -1 1 330.771 2.555 20 30 EFEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000810197757 1283032317 /nfs/dbraw/zinc/03/23/17/1283032317.db2.gz UTBDZHYTQITXBH-OZSKJFCKSA-N -1 1 336.347 2.613 20 30 EFEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000810197758 1283032339 /nfs/dbraw/zinc/03/23/39/1283032339.db2.gz UTBDZHYTQITXBH-QWPQOLDESA-N -1 1 336.347 2.613 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(O)cc(C(F)(F)F)c2)c(=O)o1 ZINC000811684669 1284512824 /nfs/dbraw/zinc/51/28/24/1284512824.db2.gz AKEFIPFZMCWTMP-PYLYLYNFSA-N -1 1 340.253 2.639 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(O)cc(C(F)(F)F)c2)c(=O)o1 ZINC000811684670 1284512933 /nfs/dbraw/zinc/51/29/33/1284512933.db2.gz AKEFIPFZMCWTMP-SFAKSCPVSA-N -1 1 340.253 2.639 20 30 EFEDMM CN1CCc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc21 ZINC000811825966 1284690298 /nfs/dbraw/zinc/69/02/98/1284690298.db2.gz QNAVUOGEAZMKQC-UHFFFAOYSA-N -1 1 327.409 2.546 20 30 EFEDMM CCCCCCCCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000812361075 1285074612 /nfs/dbraw/zinc/07/46/12/1285074612.db2.gz MJPCJGCXEIWSIN-UHFFFAOYSA-N -1 1 342.461 2.989 20 30 EFEDMM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000814286077 1286479046 /nfs/dbraw/zinc/47/90/46/1286479046.db2.gz XMZOZRFFVFLOAI-AWEZNQCLSA-N -1 1 340.326 2.982 20 30 EFEDMM CC(C)(C)OC(=O)N1CC2CC1(C(=O)Nc1ccc(C#N)cc1[O-])C2 ZINC001179349778 1289107832 /nfs/dbraw/zinc/10/78/32/1289107832.db2.gz FFZUVXWVJXMWBF-UHFFFAOYSA-N -1 1 343.383 2.602 20 30 EFEDMM CC(C)(C)c1cnc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)s1 ZINC000814798634 1287027750 /nfs/dbraw/zinc/02/77/50/1287027750.db2.gz KCPBVTASUGAEHY-UHFFFAOYSA-N -1 1 348.453 2.513 20 30 EFEDMM [O-]c1cc(F)c(Cl)cc1C=NNc1ccc(-n2cccn2)nn1 ZINC000814806969 1287077201 /nfs/dbraw/zinc/07/72/01/1287077201.db2.gz ZCKJTJFVGCJVEJ-UHFFFAOYSA-N -1 1 332.726 2.606 20 30 EFEDMM Cc1cc2c(c(C)c1)NC(=O)C2=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814949892 1287180594 /nfs/dbraw/zinc/18/05/94/1287180594.db2.gz XQAGJJQYSUHYPK-UHFFFAOYSA-N -1 1 334.339 2.517 20 30 EFEDMM Cc1cc2c(c(C)c1)NC(=O)C2=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814949892 1287180600 /nfs/dbraw/zinc/18/06/00/1287180600.db2.gz XQAGJJQYSUHYPK-UHFFFAOYSA-N -1 1 334.339 2.517 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(C(C)=O)c2)c1 ZINC000815907336 1287877275 /nfs/dbraw/zinc/87/72/75/1287877275.db2.gz YNBSXXOQKNCBOI-AWEZNQCLSA-N -1 1 342.376 2.920 20 30 EFEDMM C#C[C@@H](CC)Oc1ccc(COC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000816047808 1287966307 /nfs/dbraw/zinc/96/63/07/1287966307.db2.gz PFFQCIKWMRALIA-AWEZNQCLSA-N -1 1 341.363 2.949 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)C1(c2ccccc2)CCOCC1 ZINC001178719875 1288866717 /nfs/dbraw/zinc/86/67/17/1288866717.db2.gz XCEMRPJRLPARHS-UHFFFAOYSA-N -1 1 339.395 2.560 20 30 EFEDMM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(C#N)cc2[O-])CC1=O ZINC001181268926 1289760241 /nfs/dbraw/zinc/76/02/41/1289760241.db2.gz QNHPGHMLEPJNDH-BBRMVZONSA-N -1 1 349.390 2.812 20 30 EFEDMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cc(C#N)ccc1[O-] ZINC001232674884 1312758038 /nfs/dbraw/zinc/75/80/38/1312758038.db2.gz GJBXHUXFJHLJNJ-HOTGVXAUSA-N -1 1 343.427 2.848 20 30 EFEDMM C=C(CC(=O)OCCCC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001184311980 1290446196 /nfs/dbraw/zinc/44/61/96/1290446196.db2.gz JJOVFYSBTIJCRK-UHFFFAOYSA-N -1 1 343.383 2.806 20 30 EFEDMM N#Cc1cccc(-c2noc(-c3cnc(-c4ccccn4)[n-]c3=O)n2)c1 ZINC001212927022 1290793606 /nfs/dbraw/zinc/79/36/06/1290793606.db2.gz HUIVGENQZXQZGB-UHFFFAOYSA-N -1 1 342.318 2.833 20 30 EFEDMM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC001186236619 1290906164 /nfs/dbraw/zinc/90/61/64/1290906164.db2.gz JGOMOTZLGFOMDO-INIZCTEOSA-N -1 1 343.354 2.602 20 30 EFEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2nsnc2c1 ZINC001186262654 1290916000 /nfs/dbraw/zinc/91/60/00/1290916000.db2.gz BFFASUGLJADBPE-UHFFFAOYSA-N -1 1 330.394 2.558 20 30 EFEDMM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cccc([O-])c1Cl)CC2 ZINC001273542909 1291192741 /nfs/dbraw/zinc/19/27/41/1291192741.db2.gz QPDXSJHXVSQZII-CYBMUJFWSA-N -1 1 348.830 2.590 20 30 EFEDMM C=CCOCc1ncn2c1CN(Cc1cc(Cl)ncc1[O-])CCC2 ZINC001233036965 1312839222 /nfs/dbraw/zinc/83/92/22/1312839222.db2.gz UKUAFRDSLFMYNV-UHFFFAOYSA-N -1 1 348.834 2.746 20 30 EFEDMM N#Cc1cccc(N2CCN(Cc3cc(Cl)ncc3[O-])CC2)c1 ZINC001233039509 1312840149 /nfs/dbraw/zinc/84/01/49/1312840149.db2.gz YLKWUMXTEMATKP-UHFFFAOYSA-N -1 1 328.803 2.634 20 30 EFEDMM CCCCCCCCS(=O)(=O)[N-]c1cccnc1OC1COC1 ZINC001187994698 1291281376 /nfs/dbraw/zinc/28/13/76/1291281376.db2.gz QKRWYQIWLFHYRM-UHFFFAOYSA-N -1 1 342.461 2.961 20 30 EFEDMM CCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccn1 ZINC001188020710 1291297240 /nfs/dbraw/zinc/29/72/40/1291297240.db2.gz DNGZHHFETHUOCR-HNNXBMFYSA-N -1 1 342.461 2.576 20 30 EFEDMM C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080234 1312850994 /nfs/dbraw/zinc/85/09/94/1312850994.db2.gz SUVNTQKNTCHBCP-LBPRGKRZSA-N -1 1 326.343 2.547 20 30 EFEDMM C=C(C)C[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189047573 1291562746 /nfs/dbraw/zinc/56/27/46/1291562746.db2.gz NITMQRBITYAMLG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/23/63/00/1292236300.db2.gz PGDCPTFZJSSEEK-UHFFFAOYSA-N -1 1 339.351 2.866 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765413 1292262742 /nfs/dbraw/zinc/26/27/42/1292262742.db2.gz DLYSTQACJFIMNZ-XHDPSFHLSA-N -1 1 325.334 2.762 20 30 EFEDMM C[C@H](c1cccc(C#N)c1)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765410 1292264605 /nfs/dbraw/zinc/26/46/05/1292264605.db2.gz DLYSTQACJFIMNZ-ABAIWWIYSA-N -1 1 325.334 2.762 20 30 EFEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(CO)cc2Cl)c1 ZINC001190657851 1292271605 /nfs/dbraw/zinc/27/16/05/1292271605.db2.gz LSDGCXDMKASBAM-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM CCOCc1cnc2n1CCN(Cc1ccc(C#N)cc1[O-])[C@H]2C ZINC001233384805 1312918880 /nfs/dbraw/zinc/91/88/80/1312918880.db2.gz IXPBHTZRTFVCGL-ZDUSSCGKSA-N -1 1 326.400 2.574 20 30 EFEDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)cc2[O-])C[C@@H](F)C1 ZINC001233384079 1312919407 /nfs/dbraw/zinc/91/94/07/1312919407.db2.gz GJAUKHZPWHRMCL-OAHLLOKOSA-N -1 1 349.406 2.655 20 30 EFEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnc(-c2ncccn2)nc1 ZINC001190882389 1292362633 /nfs/dbraw/zinc/36/26/33/1292362633.db2.gz MSEGNCWXPNCCSW-UHFFFAOYSA-N -1 1 342.318 2.804 20 30 EFEDMM Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc1 ZINC001233387725 1312921051 /nfs/dbraw/zinc/92/10/51/1312921051.db2.gz VROAGTCSOGOTOQ-UHFFFAOYSA-N -1 1 335.407 2.530 20 30 EFEDMM CCOC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)CCC3)cs1 ZINC001190943501 1292381581 /nfs/dbraw/zinc/38/15/81/1292381581.db2.gz QXKJWCZTQYMVEM-UHFFFAOYSA-N -1 1 347.421 2.994 20 30 EFEDMM CC(C)(C#N)c1cccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001190957532 1292397370 /nfs/dbraw/zinc/39/73/70/1292397370.db2.gz VRKFAHBRHGWPGE-UHFFFAOYSA-N -1 1 338.363 2.512 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(O)ccc2F)c1 ZINC001190969681 1292404553 /nfs/dbraw/zinc/40/45/53/1292404553.db2.gz HZVRELFGUXSNET-UHFFFAOYSA-N -1 1 326.736 2.857 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(CO)ccc2F)c1 ZINC001190971547 1292405548 /nfs/dbraw/zinc/40/55/48/1292405548.db2.gz OKNLZSMGBDSHPR-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)c1csc(C(F)(F)F)n1 ZINC001191017447 1292427361 /nfs/dbraw/zinc/42/73/61/1292427361.db2.gz ZTWGMEDQDQVBPD-UHFFFAOYSA-N -1 1 330.291 2.601 20 30 EFEDMM CSc1ncc(C(=O)Nc2c(C#N)oc3ccccc32)c(=O)[n-]1 ZINC001191429865 1292541216 /nfs/dbraw/zinc/54/12/16/1292541216.db2.gz WMIAJRCKHRPZAX-UHFFFAOYSA-N -1 1 326.337 2.774 20 30 EFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881906016 1293048339 /nfs/dbraw/zinc/04/83/39/1293048339.db2.gz BBCSAUWAQSCTPS-ZETCQYMHSA-N -1 1 328.743 2.997 20 30 EFEDMM N#CCS(=O)(=O)[N-]c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001192934668 1293114751 /nfs/dbraw/zinc/11/47/51/1293114751.db2.gz BYHOOXMSISIHKM-UHFFFAOYSA-N -1 1 338.392 2.805 20 30 EFEDMM Cc1cc(C)nc(Sc2ccc([N-]S(=O)(=O)CC#N)cc2)n1 ZINC001192972142 1293129127 /nfs/dbraw/zinc/12/91/27/1293129127.db2.gz NKLDAPFMNYDERK-UHFFFAOYSA-N -1 1 334.426 2.510 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC001193146358 1293185699 /nfs/dbraw/zinc/18/56/99/1293185699.db2.gz LMIMAQUHYSYOFE-SNVBAGLBSA-N -1 1 347.362 2.959 20 30 EFEDMM CCOc1cc([N-]S(=O)(=O)[C@H](C)C#N)ccc1Br ZINC001193160936 1293189851 /nfs/dbraw/zinc/18/98/51/1293189851.db2.gz KVAYWNKZYJYPRY-MRVPVSSYSA-N -1 1 333.207 2.502 20 30 EFEDMM C=CCOc1ccccc1[C@@H](C)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233758242 1312984837 /nfs/dbraw/zinc/98/48/37/1312984837.db2.gz JHYAVHABEGEBFX-LLVKDONJSA-N -1 1 330.340 2.674 20 30 EFEDMM CCC[C@H](C#Cc1ccccc1)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233761767 1312986209 /nfs/dbraw/zinc/98/62/09/1312986209.db2.gz PMSRMGOZZSIEHC-CQSZACIVSA-N -1 1 326.352 2.568 20 30 EFEDMM CCOC(=O)C(F)(F)[C@@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799045 1312995239 /nfs/dbraw/zinc/99/52/39/1312995239.db2.gz DNTVBLZALPZKAF-AGZSBTIMSA-N -1 1 331.315 2.859 20 30 EFEDMM COC(=O)[C@H](Oc1ccc(/C=N/[O-])cc1OC)c1cccc(F)c1 ZINC001233803062 1312995935 /nfs/dbraw/zinc/99/59/35/1312995935.db2.gz KZKYEOGNLVUDMW-MWJIIQFGSA-N -1 1 333.315 2.936 20 30 EFEDMM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)cc([O-])cc1F ZINC001273671834 1293544084 /nfs/dbraw/zinc/54/40/84/1293544084.db2.gz SWDWALGKQWOKGD-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM C=CCNC(=O)[C@@H]1CC12CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001273672107 1293545955 /nfs/dbraw/zinc/54/59/55/1293545955.db2.gz YMCAIVXPRPMSFR-AWEZNQCLSA-N -1 1 336.382 2.575 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)ccn1 ZINC001194216899 1293558478 /nfs/dbraw/zinc/55/84/78/1293558478.db2.gz JOGMRTOAOZIRTD-UHFFFAOYSA-N -1 1 343.795 2.983 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2Cc2cc(F)c([O-])cc2F)C1=O ZINC001273678895 1293669400 /nfs/dbraw/zinc/66/94/00/1293669400.db2.gz BWAFADQBPURKRV-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM CC(=O)Nc1ccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)cc1C#N ZINC001194781807 1293708501 /nfs/dbraw/zinc/70/85/01/1293708501.db2.gz JDNYJZCESVEEFW-UHFFFAOYSA-N -1 1 337.261 2.511 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cncc(C#N)c2)c(C)c1C ZINC001194839241 1293726741 /nfs/dbraw/zinc/72/67/41/1293726741.db2.gz UNRAGVWJXDFIIQ-UHFFFAOYSA-N -1 1 331.397 2.688 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cnc(C#N)c(C)c2)c(C)c1C ZINC001194843520 1293736312 /nfs/dbraw/zinc/73/63/12/1293736312.db2.gz OFYUHJPSPFCBFP-UHFFFAOYSA-N -1 1 345.424 2.996 20 30 EFEDMM N#Cc1cc(F)c([N-]S(=O)(=O)c2cccc3nccnc32)cc1F ZINC001194976802 1293764144 /nfs/dbraw/zinc/76/41/44/1293764144.db2.gz ORJCMVKACPWXHX-UHFFFAOYSA-N -1 1 346.318 2.580 20 30 EFEDMM CCc1ncc(Br)c(C(=O)Nc2ccc(C#N)cc2[O-])n1 ZINC001195160606 1293834108 /nfs/dbraw/zinc/83/41/08/1293834108.db2.gz NOBDEDFUTHFPIZ-UHFFFAOYSA-N -1 1 347.172 2.631 20 30 EFEDMM NC(=NC(=O)c1cc([O-])cnc1Cl)c1ccc2cc(O)ccc2c1 ZINC001195312356 1293889567 /nfs/dbraw/zinc/88/95/67/1293889567.db2.gz FDDKJRNXCJKVMR-UHFFFAOYSA-N -1 1 341.754 2.845 20 30 EFEDMM CCOC(=O)NC(=S)[N-]c1cc(Br)cc(C#N)c1 ZINC001195487284 1293940136 /nfs/dbraw/zinc/94/01/36/1293940136.db2.gz QCIMXYHDWUVZSN-UHFFFAOYSA-N -1 1 328.191 2.764 20 30 EFEDMM C=CCOCC(COCC=C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234039845 1313043112 /nfs/dbraw/zinc/04/31/12/1313043112.db2.gz UJWSZWMLBWPNRX-UHFFFAOYSA-N -1 1 346.383 2.502 20 30 EFEDMM C=CCOCC(COCC=C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234039845 1313043116 /nfs/dbraw/zinc/04/31/16/1313043116.db2.gz UJWSZWMLBWPNRX-UHFFFAOYSA-N -1 1 346.383 2.502 20 30 EFEDMM N#Cc1ccc(C(=O)N(Cc2cnc[nH]2)Cc2ccccc2)c([O-])c1 ZINC001195749869 1294029035 /nfs/dbraw/zinc/02/90/35/1294029035.db2.gz BVRRIXXFLGSUIY-UHFFFAOYSA-N -1 1 332.363 2.830 20 30 EFEDMM COC(=O)c1cccc(NC(=S)Nc2c([O-])cccc2C#N)c1 ZINC001195844767 1294058956 /nfs/dbraw/zinc/05/89/56/1294058956.db2.gz QSYSKXOWZFXVMC-UHFFFAOYSA-N -1 1 327.365 2.859 20 30 EFEDMM CCOC(=O)CS(=O)(=O)[N-]c1ccc(-c2ccc(C#N)cc2)cc1 ZINC001195930367 1294082132 /nfs/dbraw/zinc/08/21/32/1294082132.db2.gz CUDHSDWNAVIYSM-UHFFFAOYSA-N -1 1 344.392 2.530 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cn[nH]c(=O)c3)c2)c1 ZINC001196309039 1294186138 /nfs/dbraw/zinc/18/61/38/1294186138.db2.gz JOVDUYPGZAMFLM-UHFFFAOYSA-N -1 1 332.319 2.679 20 30 EFEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3c(N)cc[nH]c3=O)c2)c1 ZINC001196309640 1294186544 /nfs/dbraw/zinc/18/65/44/1294186544.db2.gz ZTQHNPYVOFNGBH-UHFFFAOYSA-N -1 1 346.346 2.866 20 30 EFEDMM CC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196319714 1294196617 /nfs/dbraw/zinc/19/66/17/1294196617.db2.gz WHUXUHUTZIKOPS-MRXNPFEDSA-N -1 1 334.375 2.982 20 30 EFEDMM C[C@H](CS)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234127822 1313062282 /nfs/dbraw/zinc/06/22/82/1313062282.db2.gz JIVPCVFKECFBHQ-SSDOTTSWSA-N -1 1 334.349 2.760 20 30 EFEDMM Cc1cn2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3C#N)c2n1 ZINC001196647549 1294318045 /nfs/dbraw/zinc/31/80/45/1294318045.db2.gz HHLBSBMBSIKUDZ-UHFFFAOYSA-N -1 1 346.799 2.969 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)cc(OC)c2)c(C)c1 ZINC001196886785 1294392314 /nfs/dbraw/zinc/39/23/14/1294392314.db2.gz YDPZJRPHKFCRGG-UHFFFAOYSA-N -1 1 346.408 2.993 20 30 EFEDMM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000867226631 1294445342 /nfs/dbraw/zinc/44/53/42/1294445342.db2.gz XSKDCHQVYMMQMI-UHFFFAOYSA-N -1 1 348.255 2.997 20 30 EFEDMM COc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1C#N ZINC001197602594 1294634912 /nfs/dbraw/zinc/63/49/12/1294634912.db2.gz CALIWZGYRGOKBD-UHFFFAOYSA-N -1 1 338.335 2.787 20 30 EFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000136597937 1294678153 /nfs/dbraw/zinc/67/81/53/1294678153.db2.gz AQCXSEUFBRICFB-GFCCVEGCSA-N -1 1 329.381 2.559 20 30 EFEDMM N#CCc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)ccc1F ZINC001198155721 1294914965 /nfs/dbraw/zinc/91/49/65/1294914965.db2.gz SGEPPAPVMAQYBC-UHFFFAOYSA-N -1 1 342.355 2.636 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C#N)c2)cn1 ZINC001198315452 1294986210 /nfs/dbraw/zinc/98/62/10/1294986210.db2.gz XQDQQQRKJIKTRE-UHFFFAOYSA-N -1 1 342.424 2.663 20 30 EFEDMM C#C[C@H]1CCC[C@@H]1Oc1c(=O)[n-]c(-c2ccccc2)nc1C(=O)OC ZINC001234555903 1313156215 /nfs/dbraw/zinc/15/62/15/1313156215.db2.gz ZCIVQYAHKXATKD-JSGCOSHPSA-N -1 1 338.363 2.817 20 30 EFEDMM C=C[C@@]1(C)CC[C@H](Oc2c(C(=O)OC)nc(C)[n-]c2=O)C(C)(C)O1 ZINC001234564601 1313159781 /nfs/dbraw/zinc/15/97/81/1313159781.db2.gz MJQKHFQHMBBEEN-GTNSWQLSSA-N -1 1 336.388 2.558 20 30 EFEDMM C#C[C@H](C)Oc1cc(C[C@@H]2COc3cc([O-])ccc3C2=O)ccc1O ZINC001234713641 1313185430 /nfs/dbraw/zinc/18/54/30/1313185430.db2.gz KGVCNZJOEDPJLE-GXTWGEPZSA-N -1 1 338.359 2.932 20 30 EFEDMM C#CC(C#C)Oc1cc(/C=C2\COc3cc([O-])ccc3C2=O)ccc1O ZINC001234715178 1313186242 /nfs/dbraw/zinc/18/62/42/1313186242.db2.gz PDUQANBLVCNIKS-NTEUORMPSA-N -1 1 346.338 2.770 20 30 EFEDMM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1ccccc1C=N[O-] ZINC001234823038 1313194592 /nfs/dbraw/zinc/19/45/92/1313194592.db2.gz QNRSXBAYTMKLNW-ZNMIVQPWSA-N -1 1 325.405 2.719 20 30 EFEDMM CC1=C(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])C(=O)[C@@H](C)O1 ZINC001234877530 1313202390 /nfs/dbraw/zinc/20/23/90/1313202390.db2.gz NIUQKWGGQVJEJV-RXMQYKEDSA-N -1 1 344.117 2.661 20 30 EFEDMM N#CCCCN1CC[C@]2(CCCN2Cc2cccc([O-])c2Cl)C1=O ZINC001274724546 1296151168 /nfs/dbraw/zinc/15/11/68/1296151168.db2.gz VMJZSZYYYRHJBK-GOSISDBHSA-N -1 1 347.846 2.916 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc([O-])c(F)c(F)c1 ZINC001274808175 1296182300 /nfs/dbraw/zinc/18/23/00/1296182300.db2.gz SIDFUXLAFSZJDV-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)cnc2Cl)cc1C#N ZINC001201295041 1296708576 /nfs/dbraw/zinc/70/85/76/1296708576.db2.gz KYHXZMLIRZVMQP-UHFFFAOYSA-N -1 1 343.195 2.764 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1C#N ZINC001201317007 1296723797 /nfs/dbraw/zinc/72/37/97/1296723797.db2.gz LOJWAKXAKGRALS-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnco3)cc2)cc1C#N ZINC001201316844 1296724494 /nfs/dbraw/zinc/72/44/94/1296724494.db2.gz FIJAYFCGXXGJGT-UHFFFAOYSA-N -1 1 340.364 2.718 20 30 EFEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2CO)cc1C#N ZINC001201320443 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XNXIFXXAPBQHSS-UHFFFAOYSA-N -1 1 340.264 2.630 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000849469588 1335625333 /nfs/dbraw/zinc/62/53/33/1335625333.db2.gz JFMAJDZKYHWFHF-UHFFFAOYSA-N -1 1 328.365 2.901 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)c(Cl)c2)o1 ZINC001414308442 1370203182 /nfs/dbraw/zinc/20/31/82/1370203182.db2.gz UTZLAPUAYMFFRM-UHFFFAOYSA-N -1 1 331.180 2.937 20 30 EFEDMM COc1cc(F)cc(C[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC001417955873 1373449850 /nfs/dbraw/zinc/44/98/50/1373449850.db2.gz INSXSUIIJNIVJE-LLVKDONJSA-N -1 1 328.343 2.773 20 30 EFEDMM N#Cc1cc(NC(=O)CC=Cc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000822823057 1426187930 /nfs/dbraw/zinc/18/79/30/1426187930.db2.gz JVDWECNUWGXNLS-OWOJBTEDSA-N -1 1 348.341 2.919 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737698210 1426254853 /nfs/dbraw/zinc/25/48/53/1426254853.db2.gz VAYHZEZSAOOYKE-RUDMXATFSA-N -1 1 331.335 2.665 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(OC)c1 ZINC000821769212 1426383552 /nfs/dbraw/zinc/38/35/52/1426383552.db2.gz FMRVBEPHUKEWDQ-GQCTYLIASA-N -1 1 342.380 2.842 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@H]1CCC ZINC000819743938 1426390215 /nfs/dbraw/zinc/39/02/15/1426390215.db2.gz TWCGIRHXPYXOEF-ZBFHGGJFSA-N -1 1 340.431 2.753 20 30 EFEDMM C=C(C)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735402304 1428179804 /nfs/dbraw/zinc/17/98/04/1428179804.db2.gz QDTIWZNPQJTIGC-UHFFFAOYSA-N -1 1 337.339 2.787 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000826190678 1428277078 /nfs/dbraw/zinc/27/70/78/1428277078.db2.gz JGMSVNFIXOAUJB-HYXAFXHYSA-N -1 1 342.380 2.842 20 30 EFEDMM C#CC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823838237 1428295405 /nfs/dbraw/zinc/29/54/05/1428295405.db2.gz MOMCYLAHIUQYKK-QGZVFWFLSA-N -1 1 333.395 2.730 20 30 EFEDMM N#Cc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822842580 1428716326 /nfs/dbraw/zinc/71/63/26/1428716326.db2.gz OUSRGUPXYIIWDN-UHFFFAOYSA-N -1 1 330.760 2.706 20 30 EFEDMM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1Cl ZINC000826296136 1428735313 /nfs/dbraw/zinc/73/53/13/1428735313.db2.gz KNHOEJHMINYFMZ-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM C[C@H](C#N)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824034793 1428852070 /nfs/dbraw/zinc/85/20/70/1428852070.db2.gz PGINZVVYMVZBHA-GFCCVEGCSA-N -1 1 348.366 2.548 20 30 EFEDMM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403219 1428899878 /nfs/dbraw/zinc/89/98/78/1428899878.db2.gz MOTIDIYUUMKEEV-UPHRSURJSA-N -1 1 333.354 2.794 20 30 EFEDMM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820329762 1428908058 /nfs/dbraw/zinc/90/80/58/1428908058.db2.gz ZQJJYVHLGDBEOU-ZDUSSCGKSA-N -1 1 346.394 2.548 20 30 EFEDMM C[C@H](CSc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccccc1 ZINC000736056268 1428912150 /nfs/dbraw/zinc/91/21/50/1428912150.db2.gz MPVRNVKKGXAYJY-SNVBAGLBSA-N -1 1 337.412 2.611 20 30 EFEDMM C=CCCOCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000891473741 1428926387 /nfs/dbraw/zinc/92/63/87/1428926387.db2.gz YFYWAXPQBJGDIZ-UHFFFAOYSA-N -1 1 333.367 2.707 20 30 EFEDMM Cc1nnc(SCc2cc(-c3nnn[n-]3)ccc2F)c(C#N)c1C ZINC000826337637 1428974413 /nfs/dbraw/zinc/97/44/13/1428974413.db2.gz VNVIAACZSVOWEC-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnc2[nH]cccc1-2 ZINC000826400646 1429056225 /nfs/dbraw/zinc/05/62/25/1429056225.db2.gz DLYSRMPUXLQKJW-GQCTYLIASA-N -1 1 334.314 2.778 20 30 EFEDMM C#CC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823837984 1429057091 /nfs/dbraw/zinc/05/70/91/1429057091.db2.gz JZPMEFWSVULHOW-KAUXGEHWSA-N -1 1 343.390 2.761 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1 ZINC000826179095 1429177763 /nfs/dbraw/zinc/17/77/63/1429177763.db2.gz ZDOKUKXKVUWGQI-ONEGZZNKSA-N -1 1 342.380 2.842 20 30 EFEDMM C=CCN(CC=C)C(=O)c1cc(I)ccc1[O-] ZINC000218088751 1418101857 /nfs/dbraw/zinc/10/18/57/1418101857.db2.gz KZPFQHWFNRPVFS-UHFFFAOYSA-N -1 1 343.164 2.811 20 30 EFEDMM C=CCc1cc(OC)ccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819758784 1429236198 /nfs/dbraw/zinc/23/61/98/1429236198.db2.gz HIFFDLNYRQGFAU-UHFFFAOYSA-N -1 1 342.380 2.885 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000822829784 1429512299 /nfs/dbraw/zinc/51/22/99/1429512299.db2.gz IWXISIUBPFOGGN-YOEHRIQHSA-N -1 1 344.378 2.556 20 30 EFEDMM CCOc1cc(C#N)ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000825615665 1429580603 /nfs/dbraw/zinc/58/06/03/1429580603.db2.gz FYILJBQRPMYMHX-UHFFFAOYSA-N -1 1 339.330 2.855 20 30 EFEDMM Fc1cccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c21 ZINC000826377871 1429587731 /nfs/dbraw/zinc/58/77/31/1429587731.db2.gz KDDKMYOYASRBTM-UHFFFAOYSA-N -1 1 335.346 2.611 20 30 EFEDMM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821769195 1429642694 /nfs/dbraw/zinc/64/26/94/1429642694.db2.gz FGQRQXFFRYLIAC-PLNGDYQASA-N -1 1 342.380 2.842 20 30 EFEDMM C[C@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735506207 1423503712 /nfs/dbraw/zinc/50/37/12/1423503712.db2.gz ZTFAOUAJFHWLJB-LLVKDONJSA-N -1 1 334.339 2.757 20 30 EFEDMM CCN(C(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505349 1423711533 /nfs/dbraw/zinc/71/15/33/1423711533.db2.gz MEYYRVZBYBGEFB-UHFFFAOYSA-N -1 1 346.394 2.724 20 30 EFEDMM CC(N=Nc1ncnc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451142 1429674543 /nfs/dbraw/zinc/67/45/43/1429674543.db2.gz PSQIOHXOMUZCLL-UHFFFAOYSA-N -1 1 336.384 2.708 20 30 EFEDMM CC(C)(C)SCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824124643 1423963936 /nfs/dbraw/zinc/96/39/36/1423963936.db2.gz XRVMLHLQRPKDSX-UHFFFAOYSA-N -1 1 344.444 2.989 20 30 EFEDMM Fc1ccc2c(c1)C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)CC2 ZINC000826375747 1429695969 /nfs/dbraw/zinc/69/59/69/1429695969.db2.gz ALAIOQQRWOSCPM-UHFFFAOYSA-N -1 1 343.753 2.817 20 30 EFEDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(CC#N)cc2)n1 ZINC000826324557 1424177342 /nfs/dbraw/zinc/17/73/42/1424177342.db2.gz WLMKTTWMBNXIFJ-UHFFFAOYSA-N -1 1 337.412 2.632 20 30 EFEDMM N#CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826381168 1424290101 /nfs/dbraw/zinc/29/01/01/1424290101.db2.gz ZRIGNTDPDNGGRZ-UHFFFAOYSA-N -1 1 345.794 2.678 20 30 EFEDMM C=C(C)CCOC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000819723058 1424325133 /nfs/dbraw/zinc/32/51/33/1424325133.db2.gz WJMMYKYKEGNCOG-UHFFFAOYSA-N -1 1 346.387 2.544 20 30 EFEDMM CCOc1ccc(C=NCc2cc(-c3nnn[n-]3)ccc2F)c(O)c1 ZINC000821416746 1424350769 /nfs/dbraw/zinc/35/07/69/1424350769.db2.gz CXBICVUSEGSPCC-DJKKODMXSA-N -1 1 341.346 2.729 20 30 EFEDMM N#CCn1c(C(=O)Nc2ccccc2-c2nnn[n-]2)cc2ccccc21 ZINC000737697693 1424419854 /nfs/dbraw/zinc/41/98/54/1424419854.db2.gz LGQOVHVSFLGYQN-UHFFFAOYSA-N -1 1 343.350 2.597 20 30 EFEDMM Cc1ncc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)s1 ZINC000823963263 1424456984 /nfs/dbraw/zinc/45/69/84/1424456984.db2.gz ZYFDDEPCKZVFEA-UHFFFAOYSA-N -1 1 332.393 2.579 20 30 EFEDMM N#Cc1ccc(OCCNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822832618 1424533813 /nfs/dbraw/zinc/53/38/13/1424533813.db2.gz DADASBHSZFMHDH-UHFFFAOYSA-N -1 1 342.309 2.507 20 30 EFEDMM C=C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000131993084 1424603132 /nfs/dbraw/zinc/60/31/32/1424603132.db2.gz HXFBKWIRLMTCSL-HNNXBMFYSA-N -1 1 333.395 2.843 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(SCc2cc3ccccc3o2)nc1N ZINC000822819553 1424619007 /nfs/dbraw/zinc/61/90/07/1424619007.db2.gz VNJZGLSKNBCCJE-UHFFFAOYSA-N -1 1 349.379 2.754 20 30 EFEDMM C=C[C@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882776 1424640934 /nfs/dbraw/zinc/64/09/34/1424640934.db2.gz DCWHCYVJZFCGIF-OAHLLOKOSA-N -1 1 333.395 2.843 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000822823128 1424865559 /nfs/dbraw/zinc/86/55/59/1424865559.db2.gz LKVIHOXNJSYQAY-UHFFFAOYSA-N -1 1 342.409 2.602 20 30 EFEDMM c1ccc(CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000823779787 1424870647 /nfs/dbraw/zinc/87/06/47/1424870647.db2.gz JGRJCUGFVDLUMQ-UHFFFAOYSA-N -1 1 332.411 2.965 20 30 EFEDMM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCC#N)cc1 ZINC000825782342 1424889863 /nfs/dbraw/zinc/88/98/63/1424889863.db2.gz DJJMQGPUFGSWDP-UHFFFAOYSA-N -1 1 345.366 2.806 20 30 EFEDMM C=CCOc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823931844 1424969759 /nfs/dbraw/zinc/96/97/59/1424969759.db2.gz HLQYJMDEQPSFHZ-UHFFFAOYSA-N -1 1 349.394 2.670 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccoc1 ZINC000819743219 1425077503 /nfs/dbraw/zinc/07/75/03/1425077503.db2.gz GBNFOWCASATXKS-UHFFFAOYSA-N -1 1 337.383 2.607 20 30 EFEDMM C=CCOC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735438046 1425101241 /nfs/dbraw/zinc/10/12/41/1425101241.db2.gz WHSPUKZSOPUWMJ-UHFFFAOYSA-N -1 1 336.351 2.789 20 30 EFEDMM N#Cc1ccc(NC(=O)c2coc3ccccc23)cc1-c1nnn[n-]1 ZINC000737720228 1425149712 /nfs/dbraw/zinc/14/97/12/1425149712.db2.gz ZTSUGJSUIDFGIW-UHFFFAOYSA-N -1 1 330.307 2.737 20 30 EFEDMM N#C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000826379829 1425224623 /nfs/dbraw/zinc/22/46/23/1425224623.db2.gz CZLBTGGXGSZYIX-ZDUSSCGKSA-N -1 1 347.325 2.774 20 30 EFEDMM C=CCOc1ccc(OCCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819759224 1425390127 /nfs/dbraw/zinc/39/01/27/1425390127.db2.gz QFKZUIYWIRGBFW-UHFFFAOYSA-N -1 1 338.367 2.889 20 30 EFEDMM N#Cc1cccc(OCCNc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737730584 1425501065 /nfs/dbraw/zinc/50/10/65/1425501065.db2.gz NDJAOOGNQJAEFQ-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM Cc1cc(C)n(N=C[C@@H]2CCCc3ccccc32)c(=O)c1-c1nnn[n-]1 ZINC000822199048 1425518446 /nfs/dbraw/zinc/51/84/46/1425518446.db2.gz UHDJSGXHYWBIQD-HNNXBMFYSA-N -1 1 348.410 2.599 20 30 EFEDMM Clc1cccc2c1CCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822585583 1425723858 /nfs/dbraw/zinc/72/38/58/1425723858.db2.gz GCYBCVKEWGZQHR-UHFFFAOYSA-N -1 1 338.802 2.960 20 30 EFEDMM O=C1c2cc(F)ccc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503021 1425832959 /nfs/dbraw/zinc/83/29/59/1425832959.db2.gz AHYDIPOQSXCQIR-VZUCSPMQSA-N -1 1 340.289 2.804 20 30 EFEDMM COc1cccc(C=Nc2cc(-c3nnn[n-]3)ccc2Cl)c1O ZINC000821863240 1425942806 /nfs/dbraw/zinc/94/28/06/1425942806.db2.gz IYTLTUSNJWHYPL-UHFFFAOYSA-N -1 1 329.747 2.985 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(Cc2ccc(F)cc2)C(C)C)o1 ZINC000822423322 1425990785 /nfs/dbraw/zinc/99/07/85/1425990785.db2.gz JIPAEFWHUJSRBK-UHFFFAOYSA-N -1 1 343.366 2.969 20 30 EFEDMM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822928304 1426067282 /nfs/dbraw/zinc/06/72/82/1426067282.db2.gz GPMSRXNUTVUMMZ-BJMVGYQFSA-N -1 1 342.362 2.949 20 30 EFEDMM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cn1 ZINC000820187422 1426104836 /nfs/dbraw/zinc/10/48/36/1426104836.db2.gz AJAYQUMBRXVIDN-UHFFFAOYSA-N -1 1 333.355 2.509 20 30 EFEDMM C=C(C)COCCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000819722550 1426117221 /nfs/dbraw/zinc/11/72/21/1426117221.db2.gz MSNLLCKWUZJJKG-UHFFFAOYSA-N -1 1 327.310 2.890 20 30 EFEDMM N#Cc1ccccc1SCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822842498 1426302708 /nfs/dbraw/zinc/30/27/08/1426302708.db2.gz LBEFDOSZYFLHIB-UHFFFAOYSA-N -1 1 342.409 2.531 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H]2CSc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737703905 1426335388 /nfs/dbraw/zinc/33/53/88/1426335388.db2.gz GHEQYAKZCKNTEJ-CQSZACIVSA-N -1 1 348.391 2.566 20 30 EFEDMM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1-c1nnn[n-]1 ZINC000737718106 1426346160 /nfs/dbraw/zinc/34/61/60/1426346160.db2.gz FDKLKWIDWJFHEW-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820461244 1426376027 /nfs/dbraw/zinc/37/60/27/1426376027.db2.gz GHMHGVVQDWPNHN-SNVBAGLBSA-N -1 1 335.327 2.820 20 30 EFEDMM COc1cc(C)cc2c1OCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826178329 1426389813 /nfs/dbraw/zinc/38/98/13/1426389813.db2.gz SVCAUDYBZAKDLG-LCYFTJDESA-N -1 1 348.362 2.842 20 30 EFEDMM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(N)cc1Cl ZINC000823958791 1426408891 /nfs/dbraw/zinc/40/88/91/1426408891.db2.gz WWKSVOITLSJZKJ-UHFFFAOYSA-N -1 1 327.779 2.938 20 30 EFEDMM Cc1ccc(C2CC(=Nn3c(C)cc(C)c(-c4nnn[n-]4)c3=O)C2)cc1 ZINC000737333062 1426431183 /nfs/dbraw/zinc/43/11/83/1426431183.db2.gz ZNXMZLGVWFZBFK-UHFFFAOYSA-N -1 1 348.410 2.735 20 30 EFEDMM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000826169779 1426450640 /nfs/dbraw/zinc/45/06/40/1426450640.db2.gz DONHISXWJCRTQR-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000826169779 1426450642 /nfs/dbraw/zinc/45/06/42/1426450642.db2.gz DONHISXWJCRTQR-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM CC(C)Oc1ccc(NC(=O)C#Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000820155209 1426474795 /nfs/dbraw/zinc/47/47/95/1426474795.db2.gz KQZBGZHTRGYZDW-UHFFFAOYSA-N -1 1 347.378 2.644 20 30 EFEDMM CCC1(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCOCC1 ZINC000825164552 1426549626 /nfs/dbraw/zinc/54/96/26/1426549626.db2.gz CVOVTEQXEQFFAS-UHFFFAOYSA-N -1 1 335.799 2.520 20 30 EFEDMM C=CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccncc1 ZINC000823888776 1426553449 /nfs/dbraw/zinc/55/34/49/1426553449.db2.gz WIWYPCJEFWELCG-INIZCTEOSA-N -1 1 334.383 2.617 20 30 EFEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)CCC2 ZINC000819772231 1426599031 /nfs/dbraw/zinc/59/90/31/1426599031.db2.gz BBHFPESWXCVPRV-UHFFFAOYSA-N -1 1 338.440 2.931 20 30 EFEDMM C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819718798 1426606989 /nfs/dbraw/zinc/60/69/89/1426606989.db2.gz QNRUCWTVPIBZDM-UHFFFAOYSA-N -1 1 343.354 2.670 20 30 EFEDMM Cc1cc(N)ccc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823958365 1426707277 /nfs/dbraw/zinc/70/72/77/1426707277.db2.gz LMHCDPMTAZHRRE-UHFFFAOYSA-N -1 1 342.794 2.642 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(N)cc1C ZINC000823958365 1426707283 /nfs/dbraw/zinc/70/72/83/1426707283.db2.gz LMHCDPMTAZHRRE-UHFFFAOYSA-N -1 1 342.794 2.642 20 30 EFEDMM C=CCc1cc(CNc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1O ZINC000823937034 1426715579 /nfs/dbraw/zinc/71/55/79/1426715579.db2.gz FPTMSYAXCZKARM-UHFFFAOYSA-N -1 1 337.383 2.922 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000821849960 1426719729 /nfs/dbraw/zinc/71/97/29/1426719729.db2.gz UHHJYHAXRYQPAK-RUDMXATFSA-N -1 1 340.364 2.596 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)n2c1 ZINC000826295693 1426763370 /nfs/dbraw/zinc/76/33/70/1426763370.db2.gz UDRFAHUWCCXXIM-ONEGZZNKSA-N -1 1 336.380 2.780 20 30 EFEDMM CCc1ncc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)s1 ZINC000821516835 1426946403 /nfs/dbraw/zinc/94/64/03/1426946403.db2.gz DDMXIAMVWVSMPK-UHFFFAOYSA-N -1 1 346.420 2.617 20 30 EFEDMM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCC2(C#N)CC2)n1 ZINC000826262195 1426956600 /nfs/dbraw/zinc/95/66/00/1426956600.db2.gz HHMCIOSJFZBYNS-UHFFFAOYSA-N -1 1 340.334 2.985 20 30 EFEDMM N#C[C@H](C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2n1 ZINC000822801767 1427002846 /nfs/dbraw/zinc/00/28/46/1427002846.db2.gz OCXOSFICOHADSK-LBPRGKRZSA-N -1 1 346.375 2.966 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894559 1427061951 /nfs/dbraw/zinc/06/19/51/1427061951.db2.gz SXSWBRHLVHQBBC-CYBMUJFWSA-N -1 1 328.420 2.753 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826400715 1427080227 /nfs/dbraw/zinc/08/02/27/1427080227.db2.gz GDPKJXJVWPYBDR-FNORWQNLSA-N -1 1 339.286 2.810 20 30 EFEDMM O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822923292 1427128149 /nfs/dbraw/zinc/12/81/49/1427128149.db2.gz POASLLWPRUCTIS-LZCJLJQNSA-N -1 1 328.278 2.747 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822923292 1427128154 /nfs/dbraw/zinc/12/81/54/1427128154.db2.gz POASLLWPRUCTIS-LZCJLJQNSA-N -1 1 328.278 2.747 20 30 EFEDMM O=C(C=Cc1cc(F)c(O)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822923292 1427128157 /nfs/dbraw/zinc/12/81/57/1427128157.db2.gz POASLLWPRUCTIS-LZCJLJQNSA-N -1 1 328.278 2.747 20 30 EFEDMM C=CCc1cc(OC)ccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819759510 1427172582 /nfs/dbraw/zinc/17/25/82/1427172582.db2.gz YEYXSMKHTCTFGU-UHFFFAOYSA-N -1 1 342.380 2.885 20 30 EFEDMM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccccc1 ZINC000736392267 1427200311 /nfs/dbraw/zinc/20/03/11/1427200311.db2.gz PZXBUFWAXNFECJ-ZDUSSCGKSA-N -1 1 337.412 2.959 20 30 EFEDMM COc1ccc2c(c1)OC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821849969 1427218279 /nfs/dbraw/zinc/21/82/79/1427218279.db2.gz UIYMEXBFTADLEW-KPKJPENVSA-N -1 1 326.337 2.553 20 30 EFEDMM C=CCCCCCN(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819739765 1427224243 /nfs/dbraw/zinc/22/42/43/1427224243.db2.gz GQENBEOYGATAKF-UHFFFAOYSA-N -1 1 346.410 2.894 20 30 EFEDMM C[C@@H](C#N)Oc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824034772 1427269738 /nfs/dbraw/zinc/26/97/38/1427269738.db2.gz OUAWGMPCEHHEIE-NSHDSACASA-N -1 1 338.346 2.909 20 30 EFEDMM C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137873 1427299287 /nfs/dbraw/zinc/29/92/87/1427299287.db2.gz MMPDFIHEASSKJL-SECBINFHSA-N -1 1 325.763 2.960 20 30 EFEDMM C=CCN(CCc1ccco1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000823909715 1427419785 /nfs/dbraw/zinc/41/97/85/1427419785.db2.gz OJKCSLSVGIFLRQ-UHFFFAOYSA-N -1 1 336.808 2.805 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894052 1427451765 /nfs/dbraw/zinc/45/17/65/1427451765.db2.gz GEEQSYVPDAQZDA-ZDUSSCGKSA-N -1 1 328.420 2.753 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(C#N)cs2)o1 ZINC000819966088 1427453064 /nfs/dbraw/zinc/45/30/64/1427453064.db2.gz WCQRMJZRRDJOJE-UHFFFAOYSA-N -1 1 342.388 2.531 20 30 EFEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1cnc2ccccc2c1 ZINC000822739923 1427519433 /nfs/dbraw/zinc/51/94/33/1427519433.db2.gz DYJKKQSGUJRTCP-UHFFFAOYSA-N -1 1 347.357 2.678 20 30 EFEDMM CC(C)n1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cn1 ZINC000820211120 1427631516 /nfs/dbraw/zinc/63/15/16/1427631516.db2.gz DZCDQQGYLKBCEA-VGOFMYFVSA-N -1 1 334.383 2.857 20 30 EFEDMM CCOc1cccc(C=NCc2cc(-c3nnn[n-]3)ccc2F)c1O ZINC000821427388 1427735714 /nfs/dbraw/zinc/73/57/14/1427735714.db2.gz RVEIXYBIQCJHOA-OCKHKDLRSA-N -1 1 341.346 2.729 20 30 EFEDMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1(C)C ZINC000735680830 1427957130 /nfs/dbraw/zinc/95/71/30/1427957130.db2.gz ZQJJEPBXWMOSJE-HUUCEWRRSA-N -1 1 336.399 2.915 20 30 EFEDMM N#Cc1cc(Cl)ccc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000826383693 1428122730 /nfs/dbraw/zinc/12/27/30/1428122730.db2.gz LYFWUMXBDSOYJA-UHFFFAOYSA-N -1 1 345.771 2.810 20 30 EFEDMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(C#N)cc1 ZINC000736134294 1429827068 /nfs/dbraw/zinc/82/70/68/1429827068.db2.gz AYJQCMJMCBPMCP-VIFPVBQESA-N -1 1 325.763 2.960 20 30 EFEDMM Fc1ccc(C#CCNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826373734 1429905263 /nfs/dbraw/zinc/90/52/63/1429905263.db2.gz XRBYYPVNPJCOTR-UHFFFAOYSA-N -1 1 333.370 2.636 20 30 EFEDMM Fc1ccc(C#CCNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826373734 1429905266 /nfs/dbraw/zinc/90/52/66/1429905266.db2.gz XRBYYPVNPJCOTR-UHFFFAOYSA-N -1 1 333.370 2.636 20 30 EFEDMM C#CCN(CC)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735375071 1429921879 /nfs/dbraw/zinc/92/18/79/1429921879.db2.gz SBUFXNRBUDNMAI-UHFFFAOYSA-N -1 1 347.378 2.754 20 30 EFEDMM COc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737147186 1429928227 /nfs/dbraw/zinc/92/82/27/1429928227.db2.gz LRCSEOGFPUCXFX-KTKRTIGZSA-N -1 1 349.394 2.828 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000737719482 1429962873 /nfs/dbraw/zinc/96/28/73/1429962873.db2.gz QSECFCOILHRCBZ-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735446607 1430048546 /nfs/dbraw/zinc/04/85/46/1430048546.db2.gz BOKWKCHWXFNEHN-FLIBITNWSA-N -1 1 348.341 2.919 20 30 EFEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(F)c2F)o1 ZINC000735851061 1430178452 /nfs/dbraw/zinc/17/84/52/1430178452.db2.gz KUDDXQABTLKORU-UHFFFAOYSA-N -1 1 347.329 2.777 20 30 EFEDMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C#N)cc1 ZINC000820512274 1430209069 /nfs/dbraw/zinc/20/90/69/1430209069.db2.gz IQQIWODTOYRDDN-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM CC(C)(C)CN(CCC#N)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819913887 1441422513 /nfs/dbraw/zinc/42/25/13/1441422513.db2.gz GOBMERGLRAIUFD-UHFFFAOYSA-N -1 1 348.357 2.547 20 30 EFEDMM N#Cc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)ccc1-c1nnn[n-]1 ZINC000737705062 1441430144 /nfs/dbraw/zinc/43/01/44/1441430144.db2.gz MIHWINXIUFCSSJ-UHFFFAOYSA-N -1 1 348.410 2.749 20 30 EFEDMM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)n21 ZINC000826305303 1441442181 /nfs/dbraw/zinc/44/21/81/1441442181.db2.gz RFWAMRBBCAKWFZ-SOFGYWHQSA-N -1 1 348.341 2.858 20 30 EFEDMM CCc1ncc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)s1 ZINC000821516692 1441463792 /nfs/dbraw/zinc/46/37/92/1441463792.db2.gz AJQQMZMLLYOWNB-UHFFFAOYSA-N -1 1 346.420 2.518 20 30 EFEDMM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737081508 1441615107 /nfs/dbraw/zinc/61/51/07/1441615107.db2.gz OEMUBCUIUIYDED-YFHOEESVSA-N -1 1 349.394 2.828 20 30 EFEDMM C=CCCOCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000823899250 1441636776 /nfs/dbraw/zinc/63/67/76/1441636776.db2.gz RQYLYZQRJZMAEA-UHFFFAOYSA-N -1 1 345.403 2.577 20 30 EFEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccncc2)s1 ZINC000819718785 1441774649 /nfs/dbraw/zinc/77/46/49/1441774649.db2.gz PYTUOQFLVGPWNK-UHFFFAOYSA-N -1 1 348.395 2.831 20 30 EFEDMM O=C1c2cc(F)ccc2OC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504979 1441794563 /nfs/dbraw/zinc/79/45/63/1441794563.db2.gz WNNRGLUSSANYHU-MKMNVTDBSA-N -1 1 326.262 2.761 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000819730050 1441844991 /nfs/dbraw/zinc/84/49/91/1441844991.db2.gz QZPIAVQFBWANJT-LLVKDONJSA-N -1 1 336.399 2.579 20 30 EFEDMM CCOc1cccc(C=NCc2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000736654660 1441862788 /nfs/dbraw/zinc/86/27/88/1441862788.db2.gz LRWNSXCGYMJRGG-VXLYETTFSA-N -1 1 341.346 2.729 20 30 EFEDMM CSc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737192256 1441879796 /nfs/dbraw/zinc/87/97/96/1441879796.db2.gz SKILIOVGWORRSJ-UHFFFAOYSA-N -1 1 336.380 2.713 20 30 EFEDMM C=CCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000819759000 1442016317 /nfs/dbraw/zinc/01/63/17/1442016317.db2.gz KKYTXMLZARGYAQ-UHFFFAOYSA-N -1 1 335.367 2.992 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(C)(C)C)n1 ZINC000826359844 1442026079 /nfs/dbraw/zinc/02/60/79/1442026079.db2.gz RMBBIHGMZYRUTO-MDZDMXLPSA-N -1 1 336.399 2.794 20 30 EFEDMM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)n1C1CC1 ZINC000822198614 1442124011 /nfs/dbraw/zinc/12/40/11/1442124011.db2.gz CGAYZESFWUSJOH-UHFFFAOYSA-N -1 1 335.415 2.744 20 30 EFEDMM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826381882 1442201606 /nfs/dbraw/zinc/20/16/06/1442201606.db2.gz CXYDNDJMLDTEDO-DAXSKMNVSA-N -1 1 349.325 2.804 20 30 EFEDMM C#CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838793 1442220289 /nfs/dbraw/zinc/22/02/89/1442220289.db2.gz UXHQWPRKHKZUCH-OAHLLOKOSA-N -1 1 334.339 2.951 20 30 EFEDMM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1C#N ZINC000821573389 1442330907 /nfs/dbraw/zinc/33/09/07/1442330907.db2.gz OGXXKBJDVPREPY-UHFFFAOYSA-N -1 1 338.758 2.668 20 30 EFEDMM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823962484 1443090069 /nfs/dbraw/zinc/09/00/69/1443090069.db2.gz KPVMAEPIXCWHPB-UHFFFAOYSA-N -1 1 338.400 2.651 20 30 EFEDMM C#CCCCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000823841406 1443148786 /nfs/dbraw/zinc/14/87/86/1443148786.db2.gz MSYZHDKHABHVOG-UHFFFAOYSA-N -1 1 328.372 2.502 20 30 EFEDMM Cc1ccc(F)c(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c1 ZINC000737344266 1443221961 /nfs/dbraw/zinc/22/19/61/1443221961.db2.gz CLRRBQUCROTUSD-UHFFFAOYSA-N -1 1 343.366 2.947 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000826169833 1443355369 /nfs/dbraw/zinc/35/53/69/1443355369.db2.gz HARDZUXOFUSNSN-UHFFFAOYSA-N -1 1 346.394 2.526 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccc(O)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204325 1443373050 /nfs/dbraw/zinc/37/30/50/1443373050.db2.gz ZNCBAWYIFYUSBJ-TWGQIWQCSA-N -1 1 335.367 2.525 20 30 EFEDMM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1Cl ZINC000737315346 1443420328 /nfs/dbraw/zinc/42/03/28/1443420328.db2.gz MXXQLASGQCHEOB-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM COc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826221519 1443440127 /nfs/dbraw/zinc/44/01/27/1443440127.db2.gz JIXJMAIWLBLYDN-PLNGDYQASA-N -1 1 330.344 2.972 20 30 EFEDMM CCOC(=O)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821343934 1443505417 /nfs/dbraw/zinc/50/54/17/1443505417.db2.gz ZQWNHYXLTJDZPK-VURMDHGXSA-N -1 1 338.323 2.533 20 30 EFEDMM C=CCC[C@@H](C(=O)N[C@@H](CCSC)c1nnn[n-]1)c1ccccc1 ZINC000912862660 1443561965 /nfs/dbraw/zinc/56/19/65/1443561965.db2.gz UGAVHVMOGAZKHM-CABCVRRESA-N -1 1 345.472 2.860 20 30 EFEDMM C[C@H](Nc1nc2ccccn2c1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824662184 1443591193 /nfs/dbraw/zinc/59/11/93/1443591193.db2.gz FGEBOLMBPHWNCC-NSHDSACASA-N -1 1 330.355 2.559 20 30 EFEDMM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822822765 1443657488 /nfs/dbraw/zinc/65/74/88/1443657488.db2.gz DWSKXRRLRGZPGY-SUMWQHHRSA-N -1 1 344.378 2.556 20 30 EFEDMM N#Cc1cc(NC(=O)C[C@@H]2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737705792 1443659644 /nfs/dbraw/zinc/65/96/44/1443659644.db2.gz REGOKRPMOXVTHN-ZDUSSCGKSA-N -1 1 344.378 2.797 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C1CCC1 ZINC000823909682 1443736070 /nfs/dbraw/zinc/73/60/70/1443736070.db2.gz NCLIFRDCPNYNRE-CYBMUJFWSA-N -1 1 340.431 2.753 20 30 EFEDMM N#Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC000822833399 1443736221 /nfs/dbraw/zinc/73/62/21/1443736221.db2.gz PXGRSTKDZYWOTG-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM COCc1cccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000821695777 1443755094 /nfs/dbraw/zinc/75/50/94/1443755094.db2.gz IIDYCHREYFQJNK-UHFFFAOYSA-N -1 1 341.375 2.571 20 30 EFEDMM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)s1 ZINC000821786271 1443851866 /nfs/dbraw/zinc/85/18/66/1443851866.db2.gz CGMCMGRVQDQYLZ-UHFFFAOYSA-N -1 1 347.404 2.668 20 30 EFEDMM CCC1(CC)C(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C[C@@H]1OC ZINC000820955991 1443875181 /nfs/dbraw/zinc/87/51/81/1443875181.db2.gz GQNFDQFTIZIKLF-NSHDSACASA-N -1 1 347.423 2.971 20 30 EFEDMM C=CCN(Cc1nnc(C(C)C)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426272 1443887373 /nfs/dbraw/zinc/88/73/73/1443887373.db2.gz OBRVZHQUSLIXGU-UHFFFAOYSA-N -1 1 339.403 2.561 20 30 EFEDMM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402996 1443901301 /nfs/dbraw/zinc/90/13/01/1443901301.db2.gz HKBIQYILDHTCNM-ZHACJKMWSA-N -1 1 342.362 2.949 20 30 EFEDMM Cc1sc(NC(=O)Cc2cccc(C#N)c2)c(-c2nn[n-]n2)c1C ZINC000822563926 1443917008 /nfs/dbraw/zinc/91/70/08/1443917008.db2.gz QDBGQQMOSHTFSG-UHFFFAOYSA-N -1 1 338.396 2.598 20 30 EFEDMM N#CCOC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822811043 1443974712 /nfs/dbraw/zinc/97/47/12/1443974712.db2.gz RSTOPAHJTXCTGX-UHFFFAOYSA-N -1 1 337.364 2.698 20 30 EFEDMM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826333641 1443981650 /nfs/dbraw/zinc/98/16/50/1443981650.db2.gz PNWRGYKRGDKDNH-ARJAWSKDSA-N -1 1 334.792 2.520 20 30 EFEDMM COc1ccc(C=C2Cc3c(cccc3F)C2=O)cc1-c1nnn[n-]1 ZINC000737085073 1444001493 /nfs/dbraw/zinc/00/14/93/1444001493.db2.gz XYBOSNFDTVTFAH-YRNVUSSQSA-N -1 1 336.326 2.837 20 30 EFEDMM FC(F)(F)c1cc(NN=C2CCn3cccc32)ccc1-c1nnn[n-]1 ZINC000737632622 1446084878 /nfs/dbraw/zinc/08/48/78/1446084878.db2.gz LYXQISHULNACAR-UHFFFAOYSA-N -1 1 347.304 2.907 20 30 EFEDMM COc1ccc(C=C2CCc3cc(O)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083388 1446149532 /nfs/dbraw/zinc/14/95/32/1446149532.db2.gz NRLGTHNOMLQTEZ-JYRVWZFOSA-N -1 1 348.362 2.793 20 30 EFEDMM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737308303 1446159947 /nfs/dbraw/zinc/15/99/47/1446159947.db2.gz KSSPWUXZTQTLCP-FPLPWBNLSA-N -1 1 330.351 2.719 20 30 EFEDMM COc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000737120881 1446198765 /nfs/dbraw/zinc/19/87/65/1446198765.db2.gz IMPFGTGRWJZRJO-VURMDHGXSA-N -1 1 336.351 2.780 20 30 EFEDMM N#CCSc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000729357174 1446242821 /nfs/dbraw/zinc/24/28/21/1446242821.db2.gz OTNPWJYZXLJVBP-UHFFFAOYSA-N -1 1 336.380 2.735 20 30 EFEDMM C[C@@H](OC(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513386 1446345107 /nfs/dbraw/zinc/34/51/07/1446345107.db2.gz YXXYCRLHLDEXOW-GFCCVEGCSA-N -1 1 333.351 2.851 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000822422647 1446377521 /nfs/dbraw/zinc/37/75/21/1446377521.db2.gz AWHLWKASFWMIFM-QMMMGPOBSA-N -1 1 341.350 2.701 20 30 EFEDMM C=CCN(CC=C)C(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419279 1446558408 /nfs/dbraw/zinc/55/84/08/1446558408.db2.gz RIGGDPLRKCFYJS-CYBMUJFWSA-N -1 1 343.456 2.862 20 30 EFEDMM CCc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)o1 ZINC000821481727 1446597416 /nfs/dbraw/zinc/59/74/16/1446597416.db2.gz MQQOCDOHCMMZHB-UHFFFAOYSA-N -1 1 329.364 2.655 20 30 EFEDMM N#Cc1ccsc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826387792 1446642682 /nfs/dbraw/zinc/64/26/82/1446642682.db2.gz QVWDMBAPEWIYJX-UHFFFAOYSA-N -1 1 345.771 2.810 20 30 EFEDMM C=CCN(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819745457 1446655602 /nfs/dbraw/zinc/65/56/02/1446655602.db2.gz DNJMTMFTKWUNRL-UHFFFAOYSA-N -1 1 325.397 2.757 20 30 EFEDMM CCN(C[C@@H](C)C#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736513547 1446706842 /nfs/dbraw/zinc/70/68/42/1446706842.db2.gz PZSORKZSZSXWNQ-VIFPVBQESA-N -1 1 349.851 2.698 20 30 EFEDMM c1ccc2c(c1)CCSCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000823757805 1446712751 /nfs/dbraw/zinc/71/27/51/1446712751.db2.gz WLYHKXITMIVAQX-UHFFFAOYSA-N -1 1 336.424 2.972 20 30 EFEDMM C=CCCOCCCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899048 1446937512 /nfs/dbraw/zinc/93/75/12/1446937512.db2.gz IYZYUIPBKHOIRB-UHFFFAOYSA-N -1 1 343.431 2.983 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](C#N)CCC#N ZINC000825609967 1446967655 /nfs/dbraw/zinc/96/76/55/1446967655.db2.gz VIHAZUDMGBJXDP-SNVBAGLBSA-N -1 1 346.778 2.741 20 30 EFEDMM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1F ZINC000826176990 1447079206 /nfs/dbraw/zinc/07/92/06/1447079206.db2.gz MWIXNNNNRBVZJK-HYXAFXHYSA-N -1 1 330.344 2.972 20 30 EFEDMM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1-c1nnn[n-]1 ZINC000737717586 1447147761 /nfs/dbraw/zinc/14/77/61/1447147761.db2.gz GOZIAOFMCBLMFP-UHFFFAOYSA-N -1 1 348.341 2.548 20 30 EFEDMM C[C@@H](C#N)COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824034768 1449182909 /nfs/dbraw/zinc/18/29/09/1449182909.db2.gz OSAHRBUKSUHATI-LBPRGKRZSA-N -1 1 349.350 2.975 20 30 EFEDMM N#Cc1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)c(F)c1 ZINC000822833637 1449226095 /nfs/dbraw/zinc/22/60/95/1449226095.db2.gz TXTGBJJDDSTHAR-UHFFFAOYSA-N -1 1 334.314 2.709 20 30 EFEDMM CCCCCCCC[C@@H](C)CC(=O)N1CCOC[C@H]1c1nnn[n-]1 ZINC000913494785 1449229872 /nfs/dbraw/zinc/22/98/72/1449229872.db2.gz CTDUSWOSPXGPAC-CABCVRRESA-N -1 1 337.468 2.876 20 30 EFEDMM COc1ccc(CON=Cc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826206620 1449276519 /nfs/dbraw/zinc/27/65/19/1449276519.db2.gz DSIOKKMVLROSLU-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400558 1449289623 /nfs/dbraw/zinc/28/96/23/1449289623.db2.gz BGUCHEADQSJHMZ-ALCCZGGFSA-N -1 1 334.314 2.550 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823893971 1449453358 /nfs/dbraw/zinc/45/33/58/1449453358.db2.gz CSTLEZMKMMMOAD-CYBMUJFWSA-N -1 1 343.431 2.885 20 30 EFEDMM COc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000737120880 1449516974 /nfs/dbraw/zinc/51/69/74/1449516974.db2.gz IMPFGTGRWJZRJO-SOFGYWHQSA-N -1 1 336.351 2.780 20 30 EFEDMM Fc1cc2c(c(F)c1)CCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826372870 1449553964 /nfs/dbraw/zinc/55/39/64/1449553964.db2.gz OUGZJDQNFLFUPA-UHFFFAOYSA-N -1 1 326.310 2.907 20 30 EFEDMM CC(C)[C@@H](C#N)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820016736 1449592595 /nfs/dbraw/zinc/59/25/95/1449592595.db2.gz OZTXUXTVZSTWQR-OAHLLOKOSA-N -1 1 343.387 2.507 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823894232 1449729837 /nfs/dbraw/zinc/72/98/37/1449729837.db2.gz LDLJHOZZHGJNAR-LBPRGKRZSA-N -1 1 331.445 2.820 20 30 EFEDMM COc1ccc(C=C2CCc3cc(O)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083390 1449764868 /nfs/dbraw/zinc/76/48/68/1449764868.db2.gz NRLGTHNOMLQTEZ-MDWZMJQESA-N -1 1 348.362 2.793 20 30 EFEDMM N#CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000826381580 1449782080 /nfs/dbraw/zinc/78/20/80/1449782080.db2.gz QYVWJIUUDXFLLH-CYBMUJFWSA-N -1 1 338.396 2.703 20 30 EFEDMM Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc(-c2nnn[n-]2)c1C#N ZINC000826261633 1449841306 /nfs/dbraw/zinc/84/13/06/1449841306.db2.gz LTPGDTSMJCDOAA-UHFFFAOYSA-N -1 1 335.415 2.898 20 30 EFEDMM C=CC[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735409896 1449932855 /nfs/dbraw/zinc/93/28/55/1449932855.db2.gz NYWFCGHUCIJNMT-QGZVFWFLSA-N -1 1 348.410 2.628 20 30 EFEDMM COC(=O)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821668692 1449963940 /nfs/dbraw/zinc/96/39/40/1449963940.db2.gz DUOMZKGLKFFRGO-SREVYHEPSA-N -1 1 340.364 2.611 20 30 EFEDMM C[C@H](Nc1c(C#N)nnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137570 1450165834 /nfs/dbraw/zinc/16/58/34/1450165834.db2.gz KXDFELARZDZHHW-NSHDSACASA-N -1 1 342.366 2.855 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(C#N)ccc1F ZINC000826252311 1450230011 /nfs/dbraw/zinc/23/00/11/1450230011.db2.gz YNBOPQWYLXZVSA-UHFFFAOYSA-N -1 1 337.314 2.543 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000736309302 1450281029 /nfs/dbraw/zinc/28/10/29/1450281029.db2.gz NFGMPGSYSALQFT-ZDUSSCGKSA-N -1 1 335.371 2.555 20 30 EFEDMM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000826169659 1450349919 /nfs/dbraw/zinc/34/99/19/1450349919.db2.gz ACFGBCWLOSCKRT-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000826169659 1450349922 /nfs/dbraw/zinc/34/99/22/1450349922.db2.gz ACFGBCWLOSCKRT-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM CCCCCCCCn1nc(CC)c(CC)c(-c2nnn[n-]2)c1=O ZINC000736447875 1450387590 /nfs/dbraw/zinc/38/75/90/1450387590.db2.gz JHHSSOHWLDCTBM-UHFFFAOYSA-N -1 1 332.452 2.909 20 30 EFEDMM CCOc1cc(-c2nnn[n-]2)ccc1OCC#Cc1ccc(F)cc1 ZINC000821394475 1450439725 /nfs/dbraw/zinc/43/97/25/1450439725.db2.gz KHNFGGSUIIBETE-UHFFFAOYSA-N -1 1 338.342 2.835 20 30 EFEDMM COc1cc(F)cc(NN=C(C)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826180563 1450524514 /nfs/dbraw/zinc/52/45/14/1450524514.db2.gz MOJRNCNRUAERCD-UHFFFAOYSA-N -1 1 332.364 2.912 20 30 EFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000160176904 712909840 /nfs/dbraw/zinc/90/98/40/712909840.db2.gz JQYHWEBNUWIBIM-SNVBAGLBSA-N -1 1 329.381 2.675 20 30 EFEDMM CN(C)C(=O)COc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000255128046 713787928 /nfs/dbraw/zinc/78/79/28/713787928.db2.gz APPVVIPSFFHDOU-OQFOIZHKSA-N -1 1 343.354 2.894 20 30 EFEDMM CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2ccc([O-])c(F)c2)c1 ZINC000255371947 714863012 /nfs/dbraw/zinc/86/30/12/714863012.db2.gz HYTYVRHSFVGBPJ-VURMDHGXSA-N -1 1 349.383 2.678 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)s2)c(=O)o1 ZINC000255557595 715841909 /nfs/dbraw/zinc/84/19/09/715841909.db2.gz JGRACYZESXGOJD-QQHVMHFCSA-N -1 1 341.182 2.739 20 30 EFEDMM N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)nc1 ZINC000894841203 722887529 /nfs/dbraw/zinc/88/75/29/722887529.db2.gz YQORDNRJYWEJSA-AWEZNQCLSA-N -1 1 331.322 2.590 20 30 EFEDMM C#CC[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)(C)C ZINC000156320811 716144378 /nfs/dbraw/zinc/14/43/78/716144378.db2.gz DCCYPTINUKZVOV-ZDUSSCGKSA-N -1 1 336.457 2.714 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(-c3cccnc3)c2)c(=O)o1 ZINC000255668945 717377644 /nfs/dbraw/zinc/37/76/44/717377644.db2.gz YWAXQNBITZKLPB-QULHZPMSSA-N -1 1 333.343 2.977 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(/C=N/CCN2CCc3ccccc3C2)c1 ZINC000129656649 724274432 /nfs/dbraw/zinc/27/44/32/724274432.db2.gz QVFVEJVAZLSRGJ-XDHOZWIPSA-N -1 1 325.368 2.778 20 30 EFEDMM C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001025224727 718439164 /nfs/dbraw/zinc/43/91/64/718439164.db2.gz UTSBRUKAHREURM-GJZGRUSLSA-N -1 1 349.862 2.999 20 30 EFEDMM C=C(Cl)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001025224729 718439335 /nfs/dbraw/zinc/43/93/35/718439335.db2.gz UTSBRUKAHREURM-LSDHHAIUSA-N -1 1 349.862 2.999 20 30 EFEDMM CCOC(=O)c1c[n-]c(NC(=O)C=Cc2ccc(OC)c(OC)c2)n1 ZINC000328591519 719327945 /nfs/dbraw/zinc/32/79/45/719327945.db2.gz RRLCZYQVLXFILU-SOFGYWHQSA-N -1 1 345.355 2.905 20 30 EFEDMM COc1cc(C=Nn2c(C)cc(C)c(C#N)c2=O)cc(Cl)c1[O-] ZINC000917569587 728758206 /nfs/dbraw/zinc/75/82/06/728758206.db2.gz RRUFQWFWMKXDIN-UHFFFAOYSA-N -1 1 331.759 2.587 20 30 EFEDMM CC(C)c1csc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000126846211 723283722 /nfs/dbraw/zinc/28/37/22/723283722.db2.gz ZRVQMKIINKVPAF-UHFFFAOYSA-N -1 1 339.417 2.756 20 30 EFEDMM C#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC000728962430 724929065 /nfs/dbraw/zinc/92/90/65/724929065.db2.gz UATSDKJBYRTSQZ-UHFFFAOYSA-N -1 1 334.375 2.504 20 30 EFEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cn(Cc2cccnc2)nn1 ZINC000181446547 728942683 /nfs/dbraw/zinc/94/26/83/728942683.db2.gz HIOKCZZNPFXWQC-OVCLIPMQSA-N -1 1 332.363 2.640 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C(Cc2ccccc2)C2CC2)c2ccccc21 ZINC000729141790 725458802 /nfs/dbraw/zinc/45/88/02/725458802.db2.gz FYPDFTKBTDBYBA-UHFFFAOYSA-N -1 1 339.420 2.734 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000740812127 725527565 /nfs/dbraw/zinc/52/75/65/725527565.db2.gz SOAJTFYRUAHOQX-UHFFFAOYSA-N -1 1 326.377 2.680 20 30 EFEDMM N#Cc1ccc(COC(=O)c2nn(-c3ccccc3)cc2[O-])c(F)c1 ZINC000925267817 725624584 /nfs/dbraw/zinc/62/45/84/725624584.db2.gz JGSIUHCUPJKYCO-UHFFFAOYSA-N -1 1 337.310 2.946 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2csc(Br)c2)c(=O)o1 ZINC000913615174 725746534 /nfs/dbraw/zinc/74/65/34/725746534.db2.gz BGWACYBWWJWDPA-ZZKXABKFSA-N -1 1 341.182 2.739 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(-c2ccccc2)cc1 ZINC000731154708 726813159 /nfs/dbraw/zinc/81/31/59/726813159.db2.gz ZADSSOLRWAIKSL-UHFFFAOYSA-N -1 1 344.378 2.935 20 30 EFEDMM O=c1nc(NN=Cc2cccc(Oc3ccccc3)c2)nc2[nH][n-]cc1-2 ZINC000731157840 726813615 /nfs/dbraw/zinc/81/36/15/726813615.db2.gz SBMOONSWXATPOO-UHFFFAOYSA-N -1 1 346.350 2.670 20 30 EFEDMM C=CCOc1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000908121678 727101987 /nfs/dbraw/zinc/10/19/87/727101987.db2.gz ZBBDMTHDEGOBCC-UHFFFAOYSA-N -1 1 325.368 2.554 20 30 EFEDMM CCN(CCC#N)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909862593 727392769 /nfs/dbraw/zinc/39/27/69/727392769.db2.gz HOIMJBCFXNMPJX-UHFFFAOYSA-N -1 1 345.182 2.618 20 30 EFEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909973811 727400479 /nfs/dbraw/zinc/40/04/79/727400479.db2.gz CGXMTEGMQKJKTC-UHFFFAOYSA-N -1 1 348.353 2.969 20 30 EFEDMM O=c1[nH]ncc(NN=Cc2cccc(Br)c2[O-])c1Cl ZINC000915957699 727642442 /nfs/dbraw/zinc/64/24/42/727642442.db2.gz RLSSZYYPISNFNO-UHFFFAOYSA-N -1 1 343.568 2.750 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2noc3c2CCCC3)c1 ZINC000916892580 727740726 /nfs/dbraw/zinc/74/07/26/727740726.db2.gz IJMJBZOMCFXNSA-CQSZACIVSA-N -1 1 339.351 2.523 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000913301798 727814556 /nfs/dbraw/zinc/81/45/56/727814556.db2.gz BJRUBEPPGMZNNK-GFCCVEGCSA-N -1 1 331.372 2.640 20 30 EFEDMM CSc1nc(C)c(CCC(=O)OCC2(C#N)CCCCC2)c(=O)[n-]1 ZINC000183708967 728272922 /nfs/dbraw/zinc/27/29/22/728272922.db2.gz SWEPJQCJDLDFGA-UHFFFAOYSA-N -1 1 349.456 2.750 20 30 EFEDMM O=C(Nc1nn[n-]n1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000060380383 728356340 /nfs/dbraw/zinc/35/63/40/728356340.db2.gz NBBSQQQAAVRHNJ-HNNXBMFYSA-N -1 1 333.355 2.795 20 30 EFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2cnccn2)n1 ZINC000172667822 728601206 /nfs/dbraw/zinc/60/12/06/728601206.db2.gz WCQWWXBHTPVPKA-LBPRGKRZSA-N -1 1 349.375 2.561 20 30 EFEDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000068716023 729743294 /nfs/dbraw/zinc/74/32/94/729743294.db2.gz PMZZNLSSLRIUDN-UHFFFAOYSA-N -1 1 344.392 2.926 20 30 EFEDMM C=CCn1cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)oc3C)cc2n1 ZINC001573350248 947592219 /nfs/dbraw/zinc/59/22/19/947592219.db2.gz AOCZNECXNYAGQA-UHFFFAOYSA-N -1 1 349.354 2.556 20 30 EFEDMM C=CCn1cc2ccc(NC(=O)c3cc(-c4nn[n-]n4)oc3C)cc2n1 ZINC001573350248 947592228 /nfs/dbraw/zinc/59/22/28/947592228.db2.gz AOCZNECXNYAGQA-UHFFFAOYSA-N -1 1 349.354 2.556 20 30 EFEDMM CC(C)c1ccc(CSc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001574417055 948763065 /nfs/dbraw/zinc/76/30/65/948763065.db2.gz KGEXWYLKGCYTGD-UHFFFAOYSA-N -1 1 337.412 2.944 20 30 EFEDMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(C#N)ccc2Br)C1 ZINC001589280936 953511437 /nfs/dbraw/zinc/51/14/37/953511437.db2.gz OKLRVHNWBGXNTM-MFKMUULPSA-N -1 1 337.217 2.863 20 30 EFEDMM C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C(=O)[O-] ZINC001589355023 954122335 /nfs/dbraw/zinc/12/23/35/954122335.db2.gz LMLSPCJZZZTDAK-MFKMUULPSA-N -1 1 337.217 2.863 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001589392403 954336065 /nfs/dbraw/zinc/33/60/65/954336065.db2.gz KUVFTZIVRGHLFZ-SUNKGSAMSA-N -1 1 349.818 2.581 20 30 EFEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(CCCCC(=O)[O-])CC1 ZINC001594601766 956138763 /nfs/dbraw/zinc/13/87/63/956138763.db2.gz QVTYTASHSHTWMC-INIZCTEOSA-N -1 1 335.835 2.777 20 30 EFEDMM N#CC1(c2ccccn2)CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903686521 956866282 /nfs/dbraw/zinc/86/62/82/956866282.db2.gz MDZPYYPUGUIUTF-UHFFFAOYSA-N -1 1 327.409 2.899 20 30 EFEDMM C=C(C)COCCNCc1ccc(C(=O)[O-])cc1Br ZINC000232474622 960277972 /nfs/dbraw/zinc/27/79/72/960277972.db2.gz VPWSBWNNBAPESC-UHFFFAOYSA-N -1 1 328.206 2.830 20 30 EFEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001574488296 961694130 /nfs/dbraw/zinc/69/41/30/961694130.db2.gz PFSBNWLPHYVQDS-OAHLLOKOSA-N -1 1 329.287 2.521 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001603369216 972892863 /nfs/dbraw/zinc/89/28/63/972892863.db2.gz XLOAQCGGDJZUOL-NTZNESFSSA-N -1 1 349.818 2.581 20 30 EFEDMM C[C@](CCF)(NCC#Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001592497115 978296763 /nfs/dbraw/zinc/29/67/63/978296763.db2.gz AZVXZQFQIDEVNK-CQSZACIVSA-N -1 1 333.281 2.729 20 30 EFEDMM COc1ccc(O)cc1C(C)=NNc1ccc(C(=O)[O-])cc1OC ZINC000779785232 978784012 /nfs/dbraw/zinc/78/40/12/978784012.db2.gz UVCVZVNKOAKERN-UHFFFAOYSA-N -1 1 330.340 2.944 20 30 EFEDMM N#Cc1ccc([C@H](OC(=O)c2c(F)cc(O)cc2F)C(=O)[O-])cc1 ZINC000833073189 979077587 /nfs/dbraw/zinc/07/75/87/979077587.db2.gz WYVQHGYANQJZRT-AWEZNQCLSA-N -1 1 333.246 2.525 20 30 EFEDMM C=CCOC[C@H](NCc1c(Cl)cccc1N1CCCC1)C(=O)[O-] ZINC000901810588 980531490 /nfs/dbraw/zinc/53/14/90/980531490.db2.gz MHUIIHXBPKMYFV-HNNXBMFYSA-N -1 1 338.835 2.686 20 30 EFEDMM C#CCC1(O)CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001588431939 983466281 /nfs/dbraw/zinc/46/62/81/983466281.db2.gz RQMFWTIRUDYPGJ-UHFFFAOYSA-N -1 1 341.329 2.754 20 30 EFEDMM C#CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001588497698 983540691 /nfs/dbraw/zinc/54/06/91/983540691.db2.gz WEPAAANVHRAKIL-UHFFFAOYSA-N -1 1 336.391 2.959 20 30 EFEDMM C#Cc1ccc(NC(=O)CCN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001588518141 983568184 /nfs/dbraw/zinc/56/81/84/983568184.db2.gz SATXCUAADAEOCW-NSHDSACASA-N -1 1 343.408 2.502 20 30 EFEDMM C=C[C@@H](Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1)C(=O)[O-] ZINC001588714616 983952288 /nfs/dbraw/zinc/95/22/88/983952288.db2.gz JPKPFVURTONPED-SNVBAGLBSA-N -1 1 325.777 2.865 20 30 EFEDMM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001588872978 984443786 /nfs/dbraw/zinc/44/37/86/984443786.db2.gz WWLWKHQWULQIBZ-GOSISDBHSA-N -1 1 343.379 2.881 20 30 EFEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC001589017326 985003042 /nfs/dbraw/zinc/00/30/42/985003042.db2.gz JALUSZMJKGKHQJ-UHFFFAOYSA-N -1 1 339.330 2.941 20 30 EFEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)CC(=O)N2 ZINC001589017574 985005005 /nfs/dbraw/zinc/00/50/05/985005005.db2.gz VFDCZDJJUPNLNY-UHFFFAOYSA-N -1 1 327.315 2.855 20 30 EFEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC001594501121 985683981 /nfs/dbraw/zinc/68/39/81/985683981.db2.gz LXJKFGZGMJZINQ-LERXQTSPSA-N -1 1 342.317 2.726 20 30 EFEDMM CCn1ccnc1CN=Nc1cc(C(=O)[O-])ccc1Br ZINC001597916372 989833843 /nfs/dbraw/zinc/83/38/43/989833843.db2.gz LBPNQFXCHJYHHF-UHFFFAOYSA-N -1 1 337.177 2.810 20 30 EFEDMM CO[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC001599123188 997781039 /nfs/dbraw/zinc/78/10/39/997781039.db2.gz IFZSZRUYTLTHDO-JSGCOSHPSA-N -1 1 342.317 2.641 20 30 EFEDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001594211195 998822049 /nfs/dbraw/zinc/82/20/49/998822049.db2.gz ZXTWRZDLLKRKGL-VXGBXAGGSA-N -1 1 340.383 2.682 20 30 EFEDMM O=S1(=O)[N-]/C(=N/CC[C@@H]2CCc3ccccc32)c2ccccc21 ZINC001647213710 1089093094 /nfs/dbraw/zinc/09/30/94/1089093094.db2.gz UAMWAYSMLUIIMR-AWEZNQCLSA-N -1 1 326.421 2.845 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576998324 1089573978 /nfs/dbraw/zinc/57/39/78/1089573978.db2.gz CAIAKPLHPLXXER-NSHDSACASA-N -1 1 340.778 2.745 20 30 EFEDMM CC[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccc(Cl)cc1 ZINC001576998324 1089573995 /nfs/dbraw/zinc/57/39/95/1089573995.db2.gz CAIAKPLHPLXXER-NSHDSACASA-N -1 1 340.778 2.745 20 30 EFEDMM CC[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001576999110 1089574612 /nfs/dbraw/zinc/57/46/12/1089574612.db2.gz NFXGVXXIXAQZFI-NSHDSACASA-N -1 1 340.778 2.745 20 30 EFEDMM Cc1cc(C#N)ccc1Oc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001580768688 1091002315 /nfs/dbraw/zinc/00/23/15/1091002315.db2.gz HSKVBJLBJNSVHJ-UHFFFAOYSA-N -1 1 328.313 2.809 20 30 EFEDMM Cc1cc(C#N)ccc1Oc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001580768688 1091002320 /nfs/dbraw/zinc/00/23/20/1091002320.db2.gz HSKVBJLBJNSVHJ-UHFFFAOYSA-N -1 1 328.313 2.809 20 30 EFEDMM Cc1ccccc1[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(C)C ZINC001581252985 1091107222 /nfs/dbraw/zinc/10/72/22/1091107222.db2.gz HLQIMMVTUUUSHB-HNNXBMFYSA-N -1 1 334.387 2.646 20 30 EFEDMM Cc1ccccc1[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(C)C ZINC001581252985 1091107226 /nfs/dbraw/zinc/10/72/26/1091107226.db2.gz HLQIMMVTUUUSHB-HNNXBMFYSA-N -1 1 334.387 2.646 20 30 EFEDMM N#CCCC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001581858017 1091321709 /nfs/dbraw/zinc/32/17/09/1091321709.db2.gz NUBOLTMJJYIMKB-AWEZNQCLSA-N -1 1 336.355 2.625 20 30 EFEDMM N#CCCC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001581858017 1091321721 /nfs/dbraw/zinc/32/17/21/1091321721.db2.gz NUBOLTMJJYIMKB-AWEZNQCLSA-N -1 1 336.355 2.625 20 30 EFEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C)c1 ZINC001649711189 1092612246 /nfs/dbraw/zinc/61/22/46/1092612246.db2.gz RXVFIXMNSMOSQF-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1OC ZINC001649711300 1092612384 /nfs/dbraw/zinc/61/23/84/1092612384.db2.gz VWJFMGYHJPSMPP-UHFFFAOYSA-N -1 1 346.408 2.961 20 30 EFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001649723477 1092624526 /nfs/dbraw/zinc/62/45/26/1092624526.db2.gz JODUCLXYKHYITK-UHFFFAOYSA-N -1 1 341.392 2.552 20 30 EFEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001649731633 1092632377 /nfs/dbraw/zinc/63/23/77/1092632377.db2.gz FNLNFWNPWZIFBT-HZSPNIEDSA-N -1 1 346.452 2.858 20 30 EFEDMM N#Cc1ccc(C(=O)OCC(=O)c2ccc([O-])cc2O)cc1Cl ZINC001649760472 1092658138 /nfs/dbraw/zinc/65/81/38/1092658138.db2.gz AIMSRJKRUHMUCE-UHFFFAOYSA-N -1 1 331.711 2.663 20 30 EFEDMM N#CCc1ccccc1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001586211441 1092711073 /nfs/dbraw/zinc/71/10/73/1092711073.db2.gz PVDSRLGBLJPYKQ-UHFFFAOYSA-N -1 1 332.363 2.825 20 30 EFEDMM C=CC[C@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588531833 1092956025 /nfs/dbraw/zinc/95/60/25/1092956025.db2.gz JSOWIGLNNOVEKS-LBPRGKRZSA-N -1 1 340.412 2.930 20 30 EFEDMM C=CC[C@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588531833 1092956031 /nfs/dbraw/zinc/95/60/31/1092956031.db2.gz JSOWIGLNNOVEKS-LBPRGKRZSA-N -1 1 340.412 2.930 20 30 EFEDMM C=CC[C@H](CCc1ccccc1)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588544462 1092957195 /nfs/dbraw/zinc/95/71/95/1092957195.db2.gz HUVNNXKGHVEWPS-OAHLLOKOSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CC[C@H](CCc1ccccc1)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588544462 1092957202 /nfs/dbraw/zinc/95/72/02/1092957202.db2.gz HUVNNXKGHVEWPS-OAHLLOKOSA-N -1 1 349.394 2.996 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001588545515 1092958753 /nfs/dbraw/zinc/95/87/53/1092958753.db2.gz HQYKWKSXZAQBDS-CYBMUJFWSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001588545515 1092958761 /nfs/dbraw/zinc/95/87/61/1092958761.db2.gz HQYKWKSXZAQBDS-CYBMUJFWSA-N -1 1 339.424 2.845 20 30 EFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588560910 1092960122 /nfs/dbraw/zinc/96/01/22/1092960122.db2.gz VKFGNOIYORREIT-MNOVXSKESA-N -1 1 347.448 2.888 20 30 EFEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588560910 1092960134 /nfs/dbraw/zinc/96/01/34/1092960134.db2.gz VKFGNOIYORREIT-MNOVXSKESA-N -1 1 347.448 2.888 20 30 EFEDMM C=CCOc1ccccc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001588688240 1092977708 /nfs/dbraw/zinc/97/77/08/1092977708.db2.gz BIEWDCYWBQOPQT-UHFFFAOYSA-N -1 1 349.398 2.711 20 30 EFEDMM C=CCOc1ccccc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001588688240 1092977713 /nfs/dbraw/zinc/97/77/13/1092977713.db2.gz BIEWDCYWBQOPQT-UHFFFAOYSA-N -1 1 349.398 2.711 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001588689861 1092980386 /nfs/dbraw/zinc/98/03/86/1092980386.db2.gz NBEMVAFJKGNOBO-UHFFFAOYSA-N -1 1 328.353 2.712 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001588689861 1092980393 /nfs/dbraw/zinc/98/03/93/1092980393.db2.gz NBEMVAFJKGNOBO-UHFFFAOYSA-N -1 1 328.353 2.712 20 30 EFEDMM CC(C)(C)CN(CCC#N)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589129662 1093037814 /nfs/dbraw/zinc/03/78/14/1093037814.db2.gz XKYWWIYYGNOFKR-UHFFFAOYSA-N -1 1 348.357 2.547 20 30 EFEDMM CC(C)(C)CN(CCC#N)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589129662 1093037823 /nfs/dbraw/zinc/03/78/23/1093037823.db2.gz XKYWWIYYGNOFKR-UHFFFAOYSA-N -1 1 348.357 2.547 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccnc2Cl)o1 ZINC001589237732 1093055824 /nfs/dbraw/zinc/05/58/24/1093055824.db2.gz DVKWDBNROBMCFV-UHFFFAOYSA-N -1 1 346.782 2.647 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c(F)c2)o1 ZINC001589238521 1093056552 /nfs/dbraw/zinc/05/65/52/1093056552.db2.gz YXWXWUHAVGWSCM-UHFFFAOYSA-N -1 1 347.329 2.876 20 30 EFEDMM CC(C)[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001589508335 1093098462 /nfs/dbraw/zinc/09/84/62/1093098462.db2.gz ZIMKTACLFAUAEI-NWDGAFQWSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001589508335 1093098470 /nfs/dbraw/zinc/09/84/70/1093098470.db2.gz ZIMKTACLFAUAEI-NWDGAFQWSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)Cn1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589671470 1093123554 /nfs/dbraw/zinc/12/35/54/1093123554.db2.gz JFDUXANNBLNCGW-ONEGZZNKSA-N -1 1 328.401 2.677 20 30 EFEDMM CC(C)Cn1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589671470 1093123556 /nfs/dbraw/zinc/12/35/56/1093123556.db2.gz JFDUXANNBLNCGW-ONEGZZNKSA-N -1 1 328.401 2.677 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCC(F)(F)C2)o1 ZINC001589774105 1093143096 /nfs/dbraw/zinc/14/30/96/1093143096.db2.gz SFGURKWGPXKKEA-MRVPVSSYSA-N -1 1 325.323 2.811 20 30 EFEDMM CC(C)c1ccc(C[C@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001589896311 1093170485 /nfs/dbraw/zinc/17/04/85/1093170485.db2.gz FVPTYPOSUYTICT-LBPRGKRZSA-N -1 1 348.414 2.695 20 30 EFEDMM C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1csc2ccccc12 ZINC001589988221 1093212197 /nfs/dbraw/zinc/21/21/97/1093212197.db2.gz WYEMQEVWBQYYTH-VIFPVBQESA-N -1 1 348.395 2.916 20 30 EFEDMM C[C@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001590009771 1093218787 /nfs/dbraw/zinc/21/87/87/1093218787.db2.gz AZUKCUIRPDNPES-JTQLQIEISA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001590009771 1093218793 /nfs/dbraw/zinc/21/87/93/1093218793.db2.gz AZUKCUIRPDNPES-JTQLQIEISA-N -1 1 337.314 2.795 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590051113 1093245936 /nfs/dbraw/zinc/24/59/36/1093245936.db2.gz VQKUKBLPMLHFMD-NSHDSACASA-N -1 1 346.398 2.603 20 30 EFEDMM C[C@@H](c1cccc(C#N)c1)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590051113 1093245942 /nfs/dbraw/zinc/24/59/42/1093245942.db2.gz VQKUKBLPMLHFMD-NSHDSACASA-N -1 1 346.398 2.603 20 30 EFEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccco1 ZINC001590358703 1093391061 /nfs/dbraw/zinc/39/10/61/1093391061.db2.gz DCBWAXODIKEZDK-UHFFFAOYSA-N -1 1 329.364 2.971 20 30 EFEDMM CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1C ZINC001650601827 1093460570 /nfs/dbraw/zinc/46/05/70/1093460570.db2.gz JPNATBHOCWOARF-KOFHJDLBSA-N -1 1 344.411 2.702 20 30 EFEDMM CCC[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590571226 1093495837 /nfs/dbraw/zinc/49/58/37/1093495837.db2.gz YKEHIYMWKIBLIJ-NEPJUHHUSA-N -1 1 326.408 2.547 20 30 EFEDMM CCC[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590571226 1093495842 /nfs/dbraw/zinc/49/58/42/1093495842.db2.gz YKEHIYMWKIBLIJ-NEPJUHHUSA-N -1 1 326.408 2.547 20 30 EFEDMM CCCCCN(CCCCC)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001590596769 1093504936 /nfs/dbraw/zinc/50/49/36/1093504936.db2.gz SWEDFTKJKDYWRS-UHFFFAOYSA-N -1 1 328.424 2.715 20 30 EFEDMM CCCCCN(CCCCC)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590596769 1093504945 /nfs/dbraw/zinc/50/49/45/1093504945.db2.gz SWEDFTKJKDYWRS-UHFFFAOYSA-N -1 1 328.424 2.715 20 30 EFEDMM CCN(Cc1nc(-c2nnn[n-]2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC001590721014 1093554972 /nfs/dbraw/zinc/55/49/72/1093554972.db2.gz DWTPHWCQSPHNFM-LLVKDONJSA-N -1 1 339.428 2.778 20 30 EFEDMM CCN(Cc1nc(-c2nn[n-]n2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC001590721014 1093554982 /nfs/dbraw/zinc/55/49/82/1093554982.db2.gz DWTPHWCQSPHNFM-LLVKDONJSA-N -1 1 339.428 2.778 20 30 EFEDMM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590878437 1093611129 /nfs/dbraw/zinc/61/11/29/1093611129.db2.gz UAPLGBMCUCNESJ-UHFFFAOYSA-N -1 1 325.353 2.581 20 30 EFEDMM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590878437 1093611134 /nfs/dbraw/zinc/61/11/34/1093611134.db2.gz UAPLGBMCUCNESJ-UHFFFAOYSA-N -1 1 325.353 2.581 20 30 EFEDMM COC(=O)c1csc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001591308023 1093688893 /nfs/dbraw/zinc/68/88/93/1093688893.db2.gz VHOHAUPNSAMPQT-DUXPYHPUSA-N -1 1 346.393 2.672 20 30 EFEDMM COCC(CC(C)(C)C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001591376728 1093709092 /nfs/dbraw/zinc/70/90/92/1093709092.db2.gz ZIVZHXVGLUSOQC-UHFFFAOYSA-N -1 1 335.412 2.829 20 30 EFEDMM COc1cc(Oc2snc(Cl)c2-c2nn[n-]n2)ccc1C#N ZINC001591554592 1093768066 /nfs/dbraw/zinc/76/80/66/1093768066.db2.gz FVLLTSNIJSAYMG-UHFFFAOYSA-N -1 1 334.748 2.649 20 30 EFEDMM COc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC001591575856 1093776800 /nfs/dbraw/zinc/77/68/00/1093776800.db2.gz FBCDFSDTYDRGSS-UHFFFAOYSA-N -1 1 341.375 2.823 20 30 EFEDMM CSc1ccccc1C(=O)C=Cc1nc(-c2nnn[n-]2)cs1 ZINC001591715439 1093839412 /nfs/dbraw/zinc/83/94/12/1093839412.db2.gz FWQQJGXCVUYWSY-SREVYHEPSA-N -1 1 329.410 2.941 20 30 EFEDMM CSc1ccccc1C(=O)C=Cc1nc(-c2nn[n-]n2)cs1 ZINC001591715439 1093839423 /nfs/dbraw/zinc/83/94/23/1093839423.db2.gz FWQQJGXCVUYWSY-SREVYHEPSA-N -1 1 329.410 2.941 20 30 EFEDMM Cc1cc(C)c2c(c1)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)CO2 ZINC001591950866 1093929907 /nfs/dbraw/zinc/92/99/07/1093929907.db2.gz UWRYWSYWSSOSKZ-BJMVGYQFSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1cc(C)c2c(c1)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)CO2 ZINC001591950866 1093929911 /nfs/dbraw/zinc/92/99/11/1093929911.db2.gz UWRYWSYWSSOSKZ-BJMVGYQFSA-N -1 1 339.380 2.599 20 30 EFEDMM Cc1ccc2ncc(C#N)c(OCc3nc(-c4nnn[n-]4)cs3)c2c1 ZINC001592210395 1094032576 /nfs/dbraw/zinc/03/25/76/1094032576.db2.gz RMFXBZHJSZZUJF-UHFFFAOYSA-N -1 1 349.379 2.631 20 30 EFEDMM Cc1ccc2ncc(C#N)c(OCc3nc(-c4nn[n-]n4)cs3)c2c1 ZINC001592210395 1094032582 /nfs/dbraw/zinc/03/25/82/1094032582.db2.gz RMFXBZHJSZZUJF-UHFFFAOYSA-N -1 1 349.379 2.631 20 30 EFEDMM Cc1cccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1 ZINC001592225862 1094037993 /nfs/dbraw/zinc/03/79/93/1094037993.db2.gz AYODPSDVQRVBPO-UHFFFAOYSA-N -1 1 325.376 2.907 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cc(Cl)ccc1Cl ZINC001592335230 1094078805 /nfs/dbraw/zinc/07/88/05/1094078805.db2.gz OVYREDSDTUBKOP-UHFFFAOYSA-N -1 1 334.170 2.598 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(C(F)(F)F)c2)o1 ZINC001592338561 1094080781 /nfs/dbraw/zinc/08/07/81/1094080781.db2.gz HNQAEOSYTHWYHK-UHFFFAOYSA-N -1 1 337.265 2.628 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3cccc(Cl)c3C2)o1 ZINC001592337165 1094082107 /nfs/dbraw/zinc/08/21/07/1094082107.db2.gz OQDHQZKAPPQZOE-UHFFFAOYSA-N -1 1 343.778 2.773 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CC#N)c1ccc(Cl)cc1 ZINC001592496455 1094112576 /nfs/dbraw/zinc/11/25/76/1094112576.db2.gz ZLFCAPJQTNGVPG-UHFFFAOYSA-N -1 1 342.746 2.592 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CC#N)c1ccc(Cl)cc1 ZINC001592496455 1094112580 /nfs/dbraw/zinc/11/25/80/1094112580.db2.gz ZLFCAPJQTNGVPG-UHFFFAOYSA-N -1 1 342.746 2.592 20 30 EFEDMM N#CCCCn1c(=O)c(-c2nn[n-]n2)ccc1-c1ccc(Cl)s1 ZINC001592676931 1094176477 /nfs/dbraw/zinc/17/64/77/1094176477.db2.gz KJETUXFGHRXIBP-UHFFFAOYSA-N -1 1 346.803 2.714 20 30 EFEDMM N#Cc1c(F)cccc1Sc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001592686101 1094176768 /nfs/dbraw/zinc/17/67/68/1094176768.db2.gz FHUPIKBETFIWHF-UHFFFAOYSA-N -1 1 348.344 2.998 20 30 EFEDMM N#Cc1c(F)cccc1Sc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001592686101 1094176771 /nfs/dbraw/zinc/17/67/71/1094176771.db2.gz FHUPIKBETFIWHF-UHFFFAOYSA-N -1 1 348.344 2.998 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nnn[n-]3)ncn2)cc1C(F)(F)F ZINC001592697067 1094179931 /nfs/dbraw/zinc/17/99/31/1094179931.db2.gz CHOHYQDMJUMFFS-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1ccc(Sc2cc(-c3nn[n-]n3)ncn2)cc1C(F)(F)F ZINC001592697067 1094179934 /nfs/dbraw/zinc/17/99/34/1094179934.db2.gz CHOHYQDMJUMFFS-UHFFFAOYSA-N -1 1 349.301 2.698 20 30 EFEDMM N#Cc1ncc(N[C@H](c2ccccc2)C2CCCC2)nc1-c1nn[n-]n1 ZINC001592710636 1094182904 /nfs/dbraw/zinc/18/29/04/1094182904.db2.gz RXTRIWGMYNVQLW-MRXNPFEDSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1ncc(Nc2cccc(OC3CCCC3)c2)nc1-c1nn[n-]n1 ZINC001592708674 1094183106 /nfs/dbraw/zinc/18/31/06/1094183106.db2.gz ICBVDJQZARRJOV-UHFFFAOYSA-N -1 1 348.370 2.593 20 30 EFEDMM N#Cc1ncc(NC2CCC3(CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC001592710169 1094183145 /nfs/dbraw/zinc/18/31/45/1094183145.db2.gz HYWDZCTYBXJFSL-UHFFFAOYSA-N -1 1 338.419 2.833 20 30 EFEDMM N#Cc1ccccc1N(C(=O)c1coc(-c2nnn[n-]2)c1)C1CCC1 ZINC001592701179 1094183291 /nfs/dbraw/zinc/18/32/91/1094183291.db2.gz ACOOVTMVFZKQMK-UHFFFAOYSA-N -1 1 334.339 2.531 20 30 EFEDMM N#Cc1ccccc1N(C(=O)c1coc(-c2nn[n-]n2)c1)C1CCC1 ZINC001592701179 1094183294 /nfs/dbraw/zinc/18/32/94/1094183294.db2.gz ACOOVTMVFZKQMK-UHFFFAOYSA-N -1 1 334.339 2.531 20 30 EFEDMM N#Cc1ncn(CCCc2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC001592710268 1094183547 /nfs/dbraw/zinc/18/35/47/1094183547.db2.gz TXLQAUBSEDOVRA-UHFFFAOYSA-N -1 1 347.304 2.586 20 30 EFEDMM N#Cc1nc(N[C@@H](c2ccccc2)C2CCCC2)cnc1-c1nnn[n-]1 ZINC001592708048 1094183577 /nfs/dbraw/zinc/18/35/77/1094183577.db2.gz RAKBTWNEJAGSTC-INIZCTEOSA-N -1 1 346.398 2.872 20 30 EFEDMM N#Cc1nc(N[C@@H](c2ccccc2)C2CCCC2)cnc1-c1nn[n-]n1 ZINC001592708048 1094183580 /nfs/dbraw/zinc/18/35/80/1094183580.db2.gz RAKBTWNEJAGSTC-INIZCTEOSA-N -1 1 346.398 2.872 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1c[nH]c2cc(F)ccc12 ZINC001592802322 1094191770 /nfs/dbraw/zinc/19/17/70/1094191770.db2.gz AQXBBELTTHBDIM-ONEGZZNKSA-N -1 1 340.343 2.840 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1c[nH]c2cc(F)ccc12 ZINC001592802322 1094191772 /nfs/dbraw/zinc/19/17/72/1094191772.db2.gz AQXBBELTTHBDIM-ONEGZZNKSA-N -1 1 340.343 2.840 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1CC#Cc1ccc(Cl)cc1 ZINC001594339340 1094423794 /nfs/dbraw/zinc/42/37/94/1094423794.db2.gz IPAMVQDNEZNBBO-VDNDLQMASA-N -1 1 333.815 2.787 20 30 EFEDMM Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)[nH]c1C(=O)[O-] ZINC001600189862 1094854886 /nfs/dbraw/zinc/85/48/86/1094854886.db2.gz KAYYQTBSZVIGIS-UHFFFAOYSA-N -1 1 327.384 2.542 20 30 EFEDMM Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)oc1C(=O)[O-] ZINC001600197163 1094866055 /nfs/dbraw/zinc/86/60/55/1094866055.db2.gz WXWFYIAQPQOIDP-UHFFFAOYSA-N -1 1 339.395 2.870 20 30 EFEDMM Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C(=O)[O-])[nH]1 ZINC001600284006 1094944137 /nfs/dbraw/zinc/94/41/37/1094944137.db2.gz MJQOLVQZPFDKPX-UHFFFAOYSA-N -1 1 347.396 2.623 20 30 EFEDMM C#C[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000843638150 1094971647 /nfs/dbraw/zinc/97/16/47/1094971647.db2.gz XLACPPRVADELFO-OAHLLOKOSA-N -1 1 341.436 2.636 20 30 EFEDMM N#C[C@@H](CCc1ccccc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001601049157 1095480057 /nfs/dbraw/zinc/48/00/57/1095480057.db2.gz VAKYDBSYEOQNOE-CYBMUJFWSA-N -1 1 348.362 2.972 20 30 EFEDMM N#CC1(C(=O)[O-])CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001601052416 1095481484 /nfs/dbraw/zinc/48/14/84/1095481484.db2.gz PUJCOUVQYHYBBP-UHFFFAOYSA-N -1 1 328.290 2.776 20 30 EFEDMM N#Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1O ZINC001601094599 1095505892 /nfs/dbraw/zinc/50/58/92/1095505892.db2.gz ONUBWHSDWGIFHA-UHFFFAOYSA-N -1 1 329.337 2.548 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)c(F)c1 ZINC001601109034 1095516410 /nfs/dbraw/zinc/51/64/10/1095516410.db2.gz BELIATPUXHHZPZ-UHFFFAOYSA-N -1 1 343.358 2.767 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)cc1 ZINC001601109071 1095517121 /nfs/dbraw/zinc/51/71/21/1095517121.db2.gz CSQUNXCUBKTBMQ-UHFFFAOYSA-N -1 1 325.368 2.628 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C[C@@H]3CCCC[C@H]3C(=O)[O-])CCO2)c1 ZINC001601120178 1095525980 /nfs/dbraw/zinc/52/59/80/1095525980.db2.gz KVQDDHVTYXPXAO-KSZLIROESA-N -1 1 328.412 2.823 20 30 EFEDMM N#Cc1cccc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n1 ZINC001601122112 1095527255 /nfs/dbraw/zinc/52/72/55/1095527255.db2.gz DFNFUCLOASIRSP-JKSUJKDBSA-N -1 1 343.333 2.532 20 30 EFEDMM O=C([O-])Cn1cccc1C=NNc1ccc(Br)cc1F ZINC001602166235 1096099190 /nfs/dbraw/zinc/09/91/90/1096099190.db2.gz GHUBLEZKYUGYCI-UHFFFAOYSA-N -1 1 340.152 2.920 20 30 EFEDMM C#CCN(Cc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001602717767 1096356143 /nfs/dbraw/zinc/35/61/43/1096356143.db2.gz AGMUKFNELOXPQU-UHFFFAOYSA-N -1 1 330.804 2.616 20 30 EFEDMM C#CCN(Cc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001602717767 1096356149 /nfs/dbraw/zinc/35/61/49/1096356149.db2.gz AGMUKFNELOXPQU-UHFFFAOYSA-N -1 1 330.804 2.616 20 30 EFEDMM C#CCSCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC001602732809 1096358402 /nfs/dbraw/zinc/35/84/02/1096358402.db2.gz IRNIXMQMCPYPEB-UHFFFAOYSA-N -1 1 335.458 2.531 20 30 EFEDMM C#CCSCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC001602732809 1096358408 /nfs/dbraw/zinc/35/84/08/1096358408.db2.gz IRNIXMQMCPYPEB-UHFFFAOYSA-N -1 1 335.458 2.531 20 30 EFEDMM C#Cc1cccc(N(C)C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001602741748 1096359842 /nfs/dbraw/zinc/35/98/42/1096359842.db2.gz YVOBWOFEDQRETJ-UHFFFAOYSA-N -1 1 342.362 2.606 20 30 EFEDMM C=C(CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccccc1 ZINC001602767109 1096367129 /nfs/dbraw/zinc/36/71/29/1096367129.db2.gz ACLFQQQIEHARRQ-UHFFFAOYSA-N -1 1 344.378 2.791 20 30 EFEDMM C=C1CC(c2noc(-c3cnc(C(F)(F)F)c(-c4nn[n-]n4)c3)n2)C1 ZINC001602773303 1096367329 /nfs/dbraw/zinc/36/73/29/1096367329.db2.gz UDOBXUOBUVNMBD-UHFFFAOYSA-N -1 1 349.276 2.764 20 30 EFEDMM C=C[C@H](CC)CC(=O)N(CCC)c1snc(C)c1-c1nnn[n-]1 ZINC001602799449 1096372600 /nfs/dbraw/zinc/37/26/00/1096372600.db2.gz BOGLNXZAKNJTBB-LLVKDONJSA-N -1 1 334.449 2.977 20 30 EFEDMM C=C[C@H](CC)CC(=O)N(CCC)c1snc(C)c1-c1nn[n-]n1 ZINC001602799449 1096372607 /nfs/dbraw/zinc/37/26/07/1096372607.db2.gz BOGLNXZAKNJTBB-LLVKDONJSA-N -1 1 334.449 2.977 20 30 EFEDMM C=CCCCCCCCCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001602834575 1096379806 /nfs/dbraw/zinc/37/98/06/1096379806.db2.gz ZGMFETMUOHDUAQ-UHFFFAOYSA-N -1 1 328.420 2.908 20 30 EFEDMM C=CCCCCCCCCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001602834575 1096379813 /nfs/dbraw/zinc/37/98/13/1096379813.db2.gz ZGMFETMUOHDUAQ-UHFFFAOYSA-N -1 1 328.420 2.908 20 30 EFEDMM C=CCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001602837692 1096381339 /nfs/dbraw/zinc/38/13/39/1096381339.db2.gz DYWIXPLOSCVVCI-UHFFFAOYSA-N -1 1 334.811 2.734 20 30 EFEDMM C=CCCCCCn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001602838057 1096381418 /nfs/dbraw/zinc/38/14/18/1096381418.db2.gz NGACLNYMEXBMKL-UHFFFAOYSA-N -1 1 327.310 2.794 20 30 EFEDMM C=CC[C@@H](C(=O)[O-])N1CCc2cc(F)c(Br)cc2C1 ZINC001602836173 1096381609 /nfs/dbraw/zinc/38/16/09/1096381609.db2.gz HYSXZCGDTLTUST-ZDUSSCGKSA-N -1 1 328.181 2.976 20 30 EFEDMM C=CCCCCCN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001602838463 1096381854 /nfs/dbraw/zinc/38/18/54/1096381854.db2.gz YOHAKGGAGVNRET-UHFFFAOYSA-N -1 1 331.380 2.540 20 30 EFEDMM C=CCCCCCN(C)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001602838463 1096381860 /nfs/dbraw/zinc/38/18/60/1096381860.db2.gz YOHAKGGAGVNRET-UHFFFAOYSA-N -1 1 331.380 2.540 20 30 EFEDMM C=CCOc1ccccc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001602869691 1096391042 /nfs/dbraw/zinc/39/10/42/1096391042.db2.gz DXYMKRSEWPLTOF-UHFFFAOYSA-N -1 1 337.387 2.644 20 30 EFEDMM C=CCOc1ccccc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001602869691 1096391051 /nfs/dbraw/zinc/39/10/51/1096391051.db2.gz DXYMKRSEWPLTOF-UHFFFAOYSA-N -1 1 337.387 2.644 20 30 EFEDMM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603034920 1096422092 /nfs/dbraw/zinc/42/20/92/1096422092.db2.gz ZAIYEMNBXWCTSO-UHFFFAOYSA-N -1 1 337.339 2.618 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC001603122722 1096451242 /nfs/dbraw/zinc/45/12/42/1096451242.db2.gz SPTSDYFWKMNJBG-OUAUKWLOSA-N -1 1 329.408 2.986 20 30 EFEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001603175079 1096466576 /nfs/dbraw/zinc/46/65/76/1096466576.db2.gz KUVFTZIVRGHLFZ-MISXGVKJSA-N -1 1 349.818 2.581 20 30 EFEDMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001603705071 1096595804 /nfs/dbraw/zinc/59/58/04/1096595804.db2.gz SBYIVHNWZBTDCG-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001603705071 1096595806 /nfs/dbraw/zinc/59/58/06/1096595806.db2.gz SBYIVHNWZBTDCG-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001603705070 1096596743 /nfs/dbraw/zinc/59/67/43/1096596743.db2.gz SBYIVHNWZBTDCG-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001603705070 1096596749 /nfs/dbraw/zinc/59/67/49/1096596749.db2.gz SBYIVHNWZBTDCG-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM C[C@H]1CCCc2ccccc2[C@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603899177 1096664400 /nfs/dbraw/zinc/66/44/00/1096664400.db2.gz LVFDNHHMIMOLGE-ZBEGNZNMSA-N -1 1 346.398 2.654 20 30 EFEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001603965029 1096683728 /nfs/dbraw/zinc/68/37/28/1096683728.db2.gz HJJOOZFTKLPUAS-JTQLQIEISA-N -1 1 347.423 2.757 20 30 EFEDMM C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001604132090 1096746938 /nfs/dbraw/zinc/74/69/38/1096746938.db2.gz OOLBLJXOMBFGLT-NSHDSACASA-N -1 1 337.807 2.622 20 30 EFEDMM CCCCC1CCC(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001604169213 1096760189 /nfs/dbraw/zinc/76/01/89/1096760189.db2.gz BIICWJOGUUJEMP-UHFFFAOYSA-N -1 1 340.435 2.937 20 30 EFEDMM CCCCC1CCC(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001604169213 1096760193 /nfs/dbraw/zinc/76/01/93/1096760193.db2.gz BIICWJOGUUJEMP-UHFFFAOYSA-N -1 1 340.435 2.937 20 30 EFEDMM C[C@@](NCc1ccc(F)c(C#N)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001604350019 1096825583 /nfs/dbraw/zinc/82/55/83/1096825583.db2.gz KXPPEOILCKESFQ-KRWDZBQOSA-N -1 1 343.314 2.695 20 30 EFEDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001604652930 1096924205 /nfs/dbraw/zinc/92/42/05/1096924205.db2.gz SRBRLZXZTKIVIZ-VXGBXAGGSA-N -1 1 340.383 2.682 20 30 EFEDMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C#N)c(Cl)c1 ZINC001604657835 1096926167 /nfs/dbraw/zinc/92/61/67/1096926167.db2.gz FPISKMBCQQPTLU-UHFFFAOYSA-N -1 1 344.787 2.730 20 30 EFEDMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C#N)c(Cl)c1 ZINC001604657835 1096926173 /nfs/dbraw/zinc/92/61/73/1096926173.db2.gz FPISKMBCQQPTLU-UHFFFAOYSA-N -1 1 344.787 2.730 20 30 EFEDMM COc1ccccc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001605329588 1097098331 /nfs/dbraw/zinc/09/83/31/1097098331.db2.gz CEYMGDCWXNAQIE-UHFFFAOYSA-N -1 1 341.375 2.823 20 30 EFEDMM CCN(CCC(=O)[O-])CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC001605442772 1097126131 /nfs/dbraw/zinc/12/61/31/1097126131.db2.gz CMOQIONPCGTDBZ-ZDUSSCGKSA-N -1 1 349.456 2.673 20 30 EFEDMM CCOC(=O)c1cc(CN=Nc2cccc(F)c2C(=O)[O-])[nH]c1C ZINC001605565193 1097160010 /nfs/dbraw/zinc/16/00/10/1097160010.db2.gz FRABQZXWUJQHDV-UHFFFAOYSA-N -1 1 333.319 2.783 20 30 EFEDMM Cc1cc(C)n(N=Cc2cccc3ccccc23)c(=O)c1-c1nn[n-]n1 ZINC001605650420 1097179346 /nfs/dbraw/zinc/17/93/46/1097179346.db2.gz INDOXXSZPPFLLN-UHFFFAOYSA-N -1 1 344.378 2.681 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(c2ccc(F)cc2)C2CC2)o1 ZINC001606019994 1097299592 /nfs/dbraw/zinc/29/95/92/1097299592.db2.gz QUPJKAUSJDWYOF-UHFFFAOYSA-N -1 1 327.323 2.528 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H](OC(C)C)c2ccccc2)o1 ZINC001606019567 1097299942 /nfs/dbraw/zinc/29/99/42/1097299942.db2.gz IQZMHLJDFSLJKR-CYBMUJFWSA-N -1 1 341.375 2.727 20 30 EFEDMM Cc1sc(NC(=O)c2ccsc2-c2nnn[n-]2)c(C#N)c1C ZINC001606182566 1097340778 /nfs/dbraw/zinc/34/07/78/1097340778.db2.gz XYYIBQQELYETOS-UHFFFAOYSA-N -1 1 330.398 2.731 20 30 EFEDMM Cc1sc(NC(=O)c2ccsc2-c2nn[n-]n2)c(C#N)c1C ZINC001606182566 1097340781 /nfs/dbraw/zinc/34/07/81/1097340781.db2.gz XYYIBQQELYETOS-UHFFFAOYSA-N -1 1 330.398 2.731 20 30 EFEDMM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606276538 1097359608 /nfs/dbraw/zinc/35/96/08/1097359608.db2.gz QRKCUSMHIYODKJ-WAYWQWQTSA-N -1 1 340.412 2.825 20 30 EFEDMM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606276538 1097359614 /nfs/dbraw/zinc/35/96/14/1097359614.db2.gz QRKCUSMHIYODKJ-WAYWQWQTSA-N -1 1 340.412 2.825 20 30 EFEDMM FC(F)(F)Oc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC001606290940 1097362237 /nfs/dbraw/zinc/36/22/37/1097362237.db2.gz SPJIAMCLBFEBMR-UHFFFAOYSA-N -1 1 338.249 2.804 20 30 EFEDMM FC(F)(F)Oc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC001606290940 1097362241 /nfs/dbraw/zinc/36/22/41/1097362241.db2.gz SPJIAMCLBFEBMR-UHFFFAOYSA-N -1 1 338.249 2.804 20 30 EFEDMM N#Cc1cc2ccccc2cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606363262 1097394025 /nfs/dbraw/zinc/39/40/25/1097394025.db2.gz FNXQUDVOQRIDGU-UHFFFAOYSA-N -1 1 330.307 2.737 20 30 EFEDMM N#Cc1ccc(Br)cc1Oc1cccnc1-c1nnn[n-]1 ZINC001606363393 1097394428 /nfs/dbraw/zinc/39/44/28/1097394428.db2.gz GXWOKLWRPBSEOX-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1ccc(Br)cc1Oc1cccnc1-c1nn[n-]n1 ZINC001606363393 1097394432 /nfs/dbraw/zinc/39/44/32/1097394432.db2.gz GXWOKLWRPBSEOX-UHFFFAOYSA-N -1 1 343.144 2.688 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C(F)(F)F ZINC001606377835 1097395455 /nfs/dbraw/zinc/39/54/55/1097395455.db2.gz RTVDUQPIIIIBPN-UHFFFAOYSA-N -1 1 348.244 2.602 20 30 EFEDMM N#Cc1ncc(Nc2ccc3c(c2)C=CCCC3)nc1-c1nn[n-]n1 ZINC001606398164 1097397921 /nfs/dbraw/zinc/39/79/21/1097397921.db2.gz OYFZSOOIKJPWBG-UHFFFAOYSA-N -1 1 330.355 2.621 20 30 EFEDMM N#Cc1nc(NCCCCCCc2ccccc2)cnc1-c1nnn[n-]1 ZINC001606393538 1097398316 /nfs/dbraw/zinc/39/83/16/1097398316.db2.gz WWTWJNYCRDORSR-UHFFFAOYSA-N -1 1 348.414 2.743 20 30 EFEDMM N#Cc1nc(NCCCCCCc2ccccc2)cnc1-c1nn[n-]n1 ZINC001606393538 1097398323 /nfs/dbraw/zinc/39/83/23/1097398323.db2.gz WWTWJNYCRDORSR-UHFFFAOYSA-N -1 1 348.414 2.743 20 30 EFEDMM O=C(c1csc(-c2nn[n-]n2)c1)N(O)Cc1ccccc1Cl ZINC001607031531 1097499288 /nfs/dbraw/zinc/49/92/88/1097499288.db2.gz FWSJDYAKNQDOQS-UHFFFAOYSA-N -1 1 335.776 2.613 20 30 EFEDMM COc1ccc([C@@H](NCc2cc(Cl)cc(C#N)c2)C(=O)[O-])cc1O ZINC001607233745 1097568321 /nfs/dbraw/zinc/56/83/21/1097568321.db2.gz ACBSVRFPRCDGTH-MRXNPFEDSA-N -1 1 346.770 2.841 20 30 EFEDMM COc1ccc2c(c1)CCN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001607295390 1097587880 /nfs/dbraw/zinc/58/78/80/1097587880.db2.gz NVWVDZIKASPSBU-UHFFFAOYSA-N -1 1 336.391 2.866 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN([C@@H](C)C(=O)[O-])C2CCC2)c1C#N ZINC001607995438 1097799202 /nfs/dbraw/zinc/79/92/02/1097799202.db2.gz LVXWPBNZDUEPKC-AWEZNQCLSA-N -1 1 338.411 2.880 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])c1C#N ZINC001607995435 1097799389 /nfs/dbraw/zinc/79/93/89/1097799389.db2.gz LUIHMRBNWHXIGK-SUMWQHHRSA-N -1 1 338.411 2.738 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])c1C#N ZINC001607995433 1097799708 /nfs/dbraw/zinc/79/97/08/1097799708.db2.gz LUIHMRBNWHXIGK-DYVFJYSZSA-N -1 1 338.411 2.738 20 30 EFEDMM Cn1c2ccccc2nc1C(C#N)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001608084876 1097829407 /nfs/dbraw/zinc/82/94/07/1097829407.db2.gz IRCWKUIHXVGOCG-PIHIASKNSA-N -1 1 337.379 2.785 20 30 EFEDMM N#CC(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)=C(O)C1(c2ccccc2)CC1 ZINC001608170625 1097849313 /nfs/dbraw/zinc/84/93/13/1097849313.db2.gz VBXHTMBKSRKPMB-IIAWOOMASA-N -1 1 339.391 2.887 20 30 EFEDMM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cc(C(=O)[O-])co1 ZINC001608170659 1097850544 /nfs/dbraw/zinc/85/05/44/1097850544.db2.gz WIJATXBSIWOXFI-VIFPVBQESA-N -1 1 332.699 2.592 20 30 EFEDMM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cc(C(=O)[O-])co1 ZINC001608170659 1097850549 /nfs/dbraw/zinc/85/05/49/1097850549.db2.gz WIJATXBSIWOXFI-VIFPVBQESA-N -1 1 332.699 2.592 20 30 EFEDMM N#Cc1c(N)sc2c1CCN([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC001608194387 1097857639 /nfs/dbraw/zinc/85/76/39/1097857639.db2.gz OUAFXGYKYUJQQP-AWEZNQCLSA-N -1 1 331.372 2.525 20 30 EFEDMM N#Cc1ccc(F)cc1CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001608206568 1097862957 /nfs/dbraw/zinc/86/29/57/1097862957.db2.gz IDMQEKTZGXUXRZ-ZWKOTPCHSA-N -1 1 340.354 2.703 20 30 EFEDMM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)n1 ZINC001608217381 1097867533 /nfs/dbraw/zinc/86/75/33/1097867533.db2.gz BKVMLIHEYOVLNE-AWEZNQCLSA-N -1 1 335.285 2.888 20 30 EFEDMM N#Cc1ccccc1NC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC001608219172 1097868158 /nfs/dbraw/zinc/86/81/58/1097868158.db2.gz NIQPWTNSNXFKKU-UHFFFAOYSA-N -1 1 325.368 2.926 20 30 EFEDMM C#C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1F ZINC001609019578 1098113007 /nfs/dbraw/zinc/11/30/07/1098113007.db2.gz YCDYZMMOEWBIDK-LLVKDONJSA-N -1 1 348.794 2.580 20 30 EFEDMM C#C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1F ZINC001609019578 1098113009 /nfs/dbraw/zinc/11/30/09/1098113009.db2.gz YCDYZMMOEWBIDK-LLVKDONJSA-N -1 1 348.794 2.580 20 30 EFEDMM C#C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1F ZINC001609019579 1098113361 /nfs/dbraw/zinc/11/33/61/1098113361.db2.gz YCDYZMMOEWBIDK-NSHDSACASA-N -1 1 348.794 2.580 20 30 EFEDMM C#C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1F ZINC001609019579 1098113365 /nfs/dbraw/zinc/11/33/65/1098113365.db2.gz YCDYZMMOEWBIDK-NSHDSACASA-N -1 1 348.794 2.580 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609057146 1098124988 /nfs/dbraw/zinc/12/49/88/1098124988.db2.gz BHUKFEQVFDIYGH-UHFFFAOYSA-N -1 1 329.385 2.658 20 30 EFEDMM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609057146 1098124993 /nfs/dbraw/zinc/12/49/93/1098124993.db2.gz BHUKFEQVFDIYGH-UHFFFAOYSA-N -1 1 329.385 2.658 20 30 EFEDMM Cc1nc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cs1 ZINC001609061167 1098126539 /nfs/dbraw/zinc/12/65/39/1098126539.db2.gz JATGIDVQJNGJJB-UHFFFAOYSA-N -1 1 332.393 2.579 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)c(Cl)c2)o1 ZINC001609061530 1098127611 /nfs/dbraw/zinc/12/76/11/1098127611.db2.gz JQZNZRGIKKTLDU-UHFFFAOYSA-N -1 1 335.730 2.792 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC=CCc2ccco2)o1 ZINC001609081317 1098135251 /nfs/dbraw/zinc/13/52/51/1098135251.db2.gz IOXHIIGVBCQAOI-JRKOTLHCSA-N -1 1 327.348 2.856 20 30 EFEDMM CC(Cc1ccccn1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC001609115730 1098153610 /nfs/dbraw/zinc/15/36/10/1098153610.db2.gz ILYMJPASGGNZCT-UHFFFAOYSA-N -1 1 340.391 2.578 20 30 EFEDMM COC1(CC(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CCC1 ZINC001609312728 1098244080 /nfs/dbraw/zinc/24/40/80/1098244080.db2.gz OLQVAHYXXXLQQA-UHFFFAOYSA-N -1 1 347.423 2.800 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC001609341554 1098255612 /nfs/dbraw/zinc/25/56/12/1098255612.db2.gz XNGWJGMGHLXQNH-HYXAFXHYSA-N -1 1 330.344 2.972 20 30 EFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC001609341554 1098255615 /nfs/dbraw/zinc/25/56/15/1098255615.db2.gz XNGWJGMGHLXQNH-HYXAFXHYSA-N -1 1 330.344 2.972 20 30 EFEDMM COc1cccc(C)c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001609360910 1098265964 /nfs/dbraw/zinc/26/59/64/1098265964.db2.gz TZEAJCYRPIKXPX-UHFFFAOYSA-N -1 1 341.375 2.741 20 30 EFEDMM CSc1ccccc1C(C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001609373098 1098270804 /nfs/dbraw/zinc/27/08/04/1098270804.db2.gz IXXSDZUJEATFMP-UHFFFAOYSA-N -1 1 329.389 2.721 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3[O-])C2)C1=O ZINC001269685918 1098359702 /nfs/dbraw/zinc/35/97/02/1098359702.db2.gz GRMYMCGURGXCLG-SFHVURJKSA-N -1 1 348.830 2.686 20 30 EFEDMM CCOc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1OCC ZINC001610043248 1098528390 /nfs/dbraw/zinc/52/83/90/1098528390.db2.gz GKCFCRHXZDZCHI-UHFFFAOYSA-N -1 1 332.400 2.674 20 30 EFEDMM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cc1Cl ZINC001269982643 1098559366 /nfs/dbraw/zinc/55/93/66/1098559366.db2.gz GWYLSFQHMOBWSL-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc([O-])cc2Cl)C1=O ZINC001269983481 1098567214 /nfs/dbraw/zinc/56/72/14/1098567214.db2.gz RHXTZPAYHHIAPG-SFHVURJKSA-N -1 1 348.830 2.829 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001610279716 1098600265 /nfs/dbraw/zinc/60/02/65/1098600265.db2.gz KZHFZBXBOZMRMK-ZDUSSCGKSA-N -1 1 340.379 2.881 20 30 EFEDMM COc1cc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)ccc1C#N ZINC001610295885 1098607581 /nfs/dbraw/zinc/60/75/81/1098607581.db2.gz MRBXGQPKDSNDBM-UHFFFAOYSA-N -1 1 346.333 2.932 20 30 EFEDMM COc1ccc([C@H](NCc2ccc(C#N)cc2C)C(=O)[O-])c(OC)c1 ZINC001610323606 1098620202 /nfs/dbraw/zinc/62/02/02/1098620202.db2.gz FDPIFBCCJWUSQE-SFHVURJKSA-N -1 1 340.379 2.799 20 30 EFEDMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Nc1cccc(F)c1C#N ZINC001105174881 1099918077 /nfs/dbraw/zinc/91/80/77/1099918077.db2.gz NXEMRZRVPOCNPT-OAHLLOKOSA-N -1 1 342.374 2.664 20 30 EFEDMM CN1CCN(c2ccc(Nc3ccccc3C(=O)[O-])cc2C#N)CC1 ZINC001210967718 1101366281 /nfs/dbraw/zinc/36/62/81/1101366281.db2.gz UJIHIRMFWRFLDK-UHFFFAOYSA-N -1 1 336.395 2.752 20 30 EFEDMM C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])cc(F)c1)CC2 ZINC001271561434 1102116835 /nfs/dbraw/zinc/11/68/35/1102116835.db2.gz HDSINHGEOMAQTE-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc([O-])cc(F)c1 ZINC001271561526 1102117262 /nfs/dbraw/zinc/11/72/62/1102117262.db2.gz JJPGQTVLMOIPRN-IBGZPJMESA-N -1 1 346.402 2.705 20 30 EFEDMM CC(CSC(C)(C)C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000729635379 1104641139 /nfs/dbraw/zinc/64/11/39/1104641139.db2.gz QNADLVBLENFHRF-UHFFFAOYSA-N -1 1 325.459 2.633 20 30 EFEDMM C[C@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000746491215 1107102839 /nfs/dbraw/zinc/10/28/39/1107102839.db2.gz BWTBCDOJYARCQW-NSHDSACASA-N -1 1 325.390 2.580 20 30 EFEDMM CCOc1ccc(C#N)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436554297 1107533390 /nfs/dbraw/zinc/53/33/90/1107533390.db2.gz JYCRENGMVQGKNS-UHFFFAOYSA-N -1 1 326.308 2.644 20 30 EFEDMM N#Cc1ccc(NC2CC2)c(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436676473 1108110246 /nfs/dbraw/zinc/11/02/46/1108110246.db2.gz PRJAFRQKUDVKRP-UHFFFAOYSA-N -1 1 337.335 2.819 20 30 EFEDMM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc(F)ccc1[O-] ZINC001272388125 1108152452 /nfs/dbraw/zinc/15/24/52/1108152452.db2.gz IFBWRWTZQDUVTQ-LJQANCHMSA-N -1 1 346.402 2.705 20 30 EFEDMM C=C(C)CN1CCC2(CCN(C(=O)c3cc(F)ccc3[O-])CC2)C1=O ZINC001272388900 1108157772 /nfs/dbraw/zinc/15/77/72/1108157772.db2.gz PJTRVPSLFRUUSS-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C[C@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)c1ncccc1[O-] ZINC001089273232 1108370061 /nfs/dbraw/zinc/37/00/61/1108370061.db2.gz VWFPYWWMVLHIHZ-NWDGAFQWSA-N -1 1 342.374 2.807 20 30 EFEDMM CCNc1ccc(C#N)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436754725 1108530971 /nfs/dbraw/zinc/53/09/71/1108530971.db2.gz JTABTYPNUUFOTI-UHFFFAOYSA-N -1 1 325.324 2.677 20 30 EFEDMM C=CCC1(C(=O)N[C@@H](C)CCNC(=O)c2ncccc2[O-])CCCC1 ZINC001076246562 1109724475 /nfs/dbraw/zinc/72/44/75/1109724475.db2.gz XYKTUEJMSGUEMC-AWEZNQCLSA-N -1 1 345.443 2.548 20 30 EFEDMM O=[N+]([O-])c1cc(Cl)cc(CN=Nc2cncc(Cl)n2)c1[O-] ZINC000914560352 1111258465 /nfs/dbraw/zinc/25/84/65/1111258465.db2.gz ZMEZJLFDVCINFD-UHFFFAOYSA-N -1 1 328.115 2.843 20 30 EFEDMM CCC(Cc1ccccc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599363 1111283003 /nfs/dbraw/zinc/28/30/03/1111283003.db2.gz FRHDOFHOVVYYBG-UHFFFAOYSA-N -1 1 327.409 2.734 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(C)ccc1C ZINC000914599441 1111283019 /nfs/dbraw/zinc/28/30/19/1111283019.db2.gz CIZMRDHKMAGCHN-UHFFFAOYSA-N -1 1 327.409 2.766 20 30 EFEDMM CCOc1ccccc1C(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914599725 1111283972 /nfs/dbraw/zinc/28/39/72/1111283972.db2.gz IBKGRCNMSVKVJS-UHFFFAOYSA-N -1 1 343.408 2.548 20 30 EFEDMM C#Cc1cccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000064317163 1112372471 /nfs/dbraw/zinc/37/24/71/1112372471.db2.gz OXNKXVJTBOEBIG-UHFFFAOYSA-N -1 1 334.379 2.604 20 30 EFEDMM CC(C)(C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000181834554 1118205621 /nfs/dbraw/zinc/20/56/21/1118205621.db2.gz KAFCXXZEQTUWRM-UHFFFAOYSA-N -1 1 344.392 2.946 20 30 EFEDMM C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc([O-])c(F)c2F)C1=O ZINC001272724478 1119496578 /nfs/dbraw/zinc/49/65/78/1119496578.db2.gz JAVDDCSEZINNCQ-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OC(F)(F)F)c2)c(=O)o1 ZINC000038477042 1120275467 /nfs/dbraw/zinc/27/54/67/1120275467.db2.gz DTZXDBBHUPCCEM-VBROQKIQSA-N -1 1 340.253 2.813 20 30 EFEDMM CCOc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1OC ZINC000036714138 213112420 /nfs/dbraw/zinc/11/24/20/213112420.db2.gz BAXOXVMXLAWWIL-UHFFFAOYSA-N -1 1 330.266 2.867 20 30 EFEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172369016 239169745 /nfs/dbraw/zinc/16/97/45/239169745.db2.gz HIVIKPHEXBTPSS-LBPRGKRZSA-N -1 1 326.443 2.613 20 30 EFEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000191887926 240011461 /nfs/dbraw/zinc/01/14/61/240011461.db2.gz CGFSMSXWALJBNZ-UHFFFAOYSA-N -1 1 330.409 2.856 20 30 EFEDMM COCCc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000191890260 240011674 /nfs/dbraw/zinc/01/16/74/240011674.db2.gz LNGKZLWRLTXIGN-UHFFFAOYSA-N -1 1 330.409 2.856 20 30 EFEDMM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000193326610 240094983 /nfs/dbraw/zinc/09/49/83/240094983.db2.gz LKZGKKHXQZOGIG-RYUDHWBXSA-N -1 1 328.459 2.715 20 30 EFEDMM C[C@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000194744912 240174788 /nfs/dbraw/zinc/17/47/88/240174788.db2.gz SNVFEDRXODGHNK-CYBMUJFWSA-N -1 1 343.408 2.519 20 30 EFEDMM C=CCN(CC=C)C(=O)c1ccc(I)c([O-])c1 ZINC000230885411 240235148 /nfs/dbraw/zinc/23/51/48/240235148.db2.gz IISNLVMZNLAECI-UHFFFAOYSA-N -1 1 343.164 2.811 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2)c(=O)o1 ZINC000022200977 212282569 /nfs/dbraw/zinc/28/25/69/212282569.db2.gz UUHNHXIWFJXSJD-BTKRWWFXSA-N -1 1 335.153 2.677 20 30 EFEDMM N#CC(=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccncn1 ZINC000354472535 242001825 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EFEDMM C[C@@H](N=c1ccc(N2CCC(F)(C#N)CC2)n[n-]1)c1ccccc1 ZINC000425259279 247020606 /nfs/dbraw/zinc/02/06/06/247020606.db2.gz XWVJJRSRGKAAKK-CQSZACIVSA-N -1 1 325.391 2.904 20 30 EFEDMM N#CC[C@@H](CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425295394 247029823 /nfs/dbraw/zinc/02/98/23/247029823.db2.gz FNYZSELFBSQRQB-LSDHHAIUSA-N -1 1 340.383 2.569 20 30 EFEDMM N#CC[C@@H](CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425295391 247030141 /nfs/dbraw/zinc/03/01/41/247030141.db2.gz FNYZSELFBSQRQB-GJZGRUSLSA-N -1 1 340.383 2.569 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1F ZINC000427104608 247317852 /nfs/dbraw/zinc/31/78/52/247317852.db2.gz PFBCVIOJXBQMEW-UHFFFAOYSA-N -1 1 342.355 2.684 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1F ZINC000427792349 247395646 /nfs/dbraw/zinc/39/56/46/247395646.db2.gz HXJFKHPRUDMTKJ-UHFFFAOYSA-N -1 1 342.355 2.684 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1F ZINC000427761168 247390791 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ZINC000190947672 473437454 /nfs/dbraw/zinc/43/74/54/473437454.db2.gz DZPKWIBBFYHEKL-UHFFFAOYSA-N -1 1 343.427 2.565 20 30 EFEDMM COCCOc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673634 473492145 /nfs/dbraw/zinc/49/21/45/473492145.db2.gz FLYZWAGUIRSDMX-UHFFFAOYSA-N -1 1 346.408 2.693 20 30 EFEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673486 473492157 /nfs/dbraw/zinc/49/21/57/473492157.db2.gz HGFBPCMJHALCAN-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000178329807 473492530 /nfs/dbraw/zinc/49/25/30/473492530.db2.gz OHDXBOKYFZQPOC-UHFFFAOYSA-N -1 1 332.381 2.685 20 30 EFEDMM CC#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000126666932 473535560 /nfs/dbraw/zinc/53/55/60/473535560.db2.gz GOYFHKZOIAYLKE-UHFFFAOYSA-N -1 1 342.420 2.549 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1C ZINC000172590440 473652251 /nfs/dbraw/zinc/65/22/51/473652251.db2.gz ZKNXQZZSSCACNC-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC000179388140 473683055 /nfs/dbraw/zinc/68/30/55/473683055.db2.gz NBDVSDNTOYHKMI-UHFFFAOYSA-N -1 1 340.364 2.718 20 30 EFEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193360049 473783365 /nfs/dbraw/zinc/78/33/65/473783365.db2.gz QQTOULFHGICPCE-UHFFFAOYSA-N -1 1 343.408 2.902 20 30 EFEDMM C=CCSCC[N-]S(=O)(=O)c1sccc1Br ZINC000194544108 473915631 /nfs/dbraw/zinc/91/56/31/473915631.db2.gz TVOZGSJGNDJJOV-UHFFFAOYSA-N -1 1 342.305 2.708 20 30 EFEDMM C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000282034393 473924830 /nfs/dbraw/zinc/92/48/30/473924830.db2.gz RTCAARMSADUMPQ-UHFFFAOYSA-N -1 1 349.283 2.922 20 30 EFEDMM C=CCC1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCC1 ZINC000187894185 473939843 /nfs/dbraw/zinc/93/98/43/473939843.db2.gz SGXFXVHBASJFQN-UHFFFAOYSA-N -1 1 338.429 2.752 20 30 EFEDMM C=CCCCCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000274743803 473940501 /nfs/dbraw/zinc/94/05/01/473940501.db2.gz WAURAKYUUBECAJ-UHFFFAOYSA-N -1 1 326.400 2.568 20 30 EFEDMM C[C@@H](c1cccc(/N=C/c2ccc(O)c([O-])c2O)c1)N1CCOCC1 ZINC000264131655 473952515 /nfs/dbraw/zinc/95/25/15/473952515.db2.gz HWBWAMIMVDGVMV-DZUMZMOTSA-N -1 1 342.395 2.947 20 30 EFEDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000188097182 473980636 /nfs/dbraw/zinc/98/06/36/473980636.db2.gz AGAUEUQVYNTXKJ-UHFFFAOYSA-N -1 1 348.815 2.588 20 30 EFEDMM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000288696704 474024132 /nfs/dbraw/zinc/02/41/32/474024132.db2.gz XWMXLWWWOWJKHC-UHFFFAOYSA-N -1 1 345.424 2.856 20 30 EFEDMM COc1cc(C)c(CN(C)C(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000188226006 474025090 /nfs/dbraw/zinc/02/50/90/474025090.db2.gz YAJGKPDAXISOAW-UHFFFAOYSA-N -1 1 340.379 2.862 20 30 EFEDMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188226483 474025775 /nfs/dbraw/zinc/02/57/75/474025775.db2.gz XZQPUNWMDLKJEM-ZDUSSCGKSA-N -1 1 347.378 2.678 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000188260452 474038027 /nfs/dbraw/zinc/03/80/27/474038027.db2.gz IKUBFNAKFHYOIO-KRWDZBQOSA-N -1 1 326.327 2.617 20 30 EFEDMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000181773135 474063433 /nfs/dbraw/zinc/06/34/33/474063433.db2.gz AWDOQNXAQHMJOO-LBPRGKRZSA-N -1 1 344.392 2.937 20 30 EFEDMM COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188636718 474148918 /nfs/dbraw/zinc/14/89/18/474148918.db2.gz BNIBRFBLTWKWJT-SJKOYZFVSA-N -1 1 338.363 2.544 20 30 EFEDMM COc1ccc(OC(F)F)c(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188644445 474152311 /nfs/dbraw/zinc/15/23/11/474152311.db2.gz ZEUPKBWLAJXGBU-UHFFFAOYSA-N -1 1 348.305 2.804 20 30 EFEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H](c2ccsc2)O1 ZINC000188659132 474157646 /nfs/dbraw/zinc/15/76/46/474157646.db2.gz AZPVIPJHYPTXDN-BZNIZROVSA-N -1 1 328.393 2.928 20 30 EFEDMM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188822086 474206729 /nfs/dbraw/zinc/20/67/29/474206729.db2.gz BIQCWSORJAOEIT-HNNXBMFYSA-N -1 1 326.352 2.981 20 30 EFEDMM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cn1 ZINC000189191820 474320180 /nfs/dbraw/zinc/32/01/80/474320180.db2.gz PDDRQZSJKCHYAH-UHFFFAOYSA-N -1 1 325.368 2.766 20 30 EFEDMM CN(C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1Cl ZINC000189876326 474498445 /nfs/dbraw/zinc/49/84/45/474498445.db2.gz CGVJLXMVXNDFMH-MRXNPFEDSA-N -1 1 343.814 2.950 20 30 EFEDMM C=CCCN(C)C(=O)c1cc(I)ccc1[O-] ZINC000276532197 474564878 /nfs/dbraw/zinc/56/48/78/474564878.db2.gz UWGCZMSUNYENGE-UHFFFAOYSA-N -1 1 331.153 2.645 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)OCC ZINC000271478917 474565080 /nfs/dbraw/zinc/56/50/80/474565080.db2.gz FGUZZXOOOOUHPT-CQSZACIVSA-N -1 1 344.408 2.507 20 30 EFEDMM CSc1nc(C)c(CCC(=O)Nc2ccccc2CC#N)c(=O)[n-]1 ZINC000344354512 474678608 /nfs/dbraw/zinc/67/86/08/474678608.db2.gz DXRRQCWEXPRYNM-UHFFFAOYSA-N -1 1 342.424 2.850 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1[N+](=O)[O-] ZINC000326172332 475000356 /nfs/dbraw/zinc/00/03/56/475000356.db2.gz OFQMCSSVYHCUMJ-UHFFFAOYSA-N -1 1 347.352 2.584 20 30 EFEDMM COCCCOc1ccc(/N=C/c2ccc(O)c([O-])c2O)cc1OC ZINC000285596660 475033609 /nfs/dbraw/zinc/03/36/09/475033609.db2.gz UGWHNSSQNISDCN-YBFXNURJSA-N -1 1 347.367 2.978 20 30 EFEDMM Cc1ccc(CNC(=O)[C@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000329648527 475105171 /nfs/dbraw/zinc/10/51/71/475105171.db2.gz JYUHRVDZHKJRTA-ZDUSSCGKSA-N -1 1 343.431 2.543 20 30 EFEDMM C=CCCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000292695466 475156653 /nfs/dbraw/zinc/15/66/53/475156653.db2.gz SMHOPZTXOKCNOF-UHFFFAOYSA-N -1 1 334.235 2.540 20 30 EFEDMM CC(C)n1ncc2c1C[C@@H](NC(=O)c1csc(=NC3CC3)[n-]1)CC2 ZINC000330175730 475208985 /nfs/dbraw/zinc/20/89/85/475208985.db2.gz ZWQCAFMDMYCQLO-ZDUSSCGKSA-N -1 1 345.472 2.779 20 30 EFEDMM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000330211796 475213207 /nfs/dbraw/zinc/21/32/07/475213207.db2.gz DHGIUOWGEYOKFT-NSHDSACASA-N -1 1 346.460 2.694 20 30 EFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000342070081 475547483 /nfs/dbraw/zinc/54/74/83/475547483.db2.gz ISSCIXVAXNOPFW-MRVPVSSYSA-N -1 1 349.206 2.600 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N[C@@](C)(C#N)CC(C)C)c(=O)[n-]1 ZINC000339965567 475647719 /nfs/dbraw/zinc/64/77/19/475647719.db2.gz QAQWFDCUDAJUFU-MRXNPFEDSA-N -1 1 336.461 2.590 20 30 EFEDMM Cc1cc2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)c(C)n2n1 ZINC000338188139 475661540 /nfs/dbraw/zinc/66/15/40/475661540.db2.gz HTRJEYHUDSGCEL-CYBMUJFWSA-N -1 1 344.378 2.723 20 30 EFEDMM C=CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000340006067 475681987 /nfs/dbraw/zinc/68/19/87/475681987.db2.gz PNEHUXCWTMLLRB-UHFFFAOYSA-N -1 1 348.399 2.851 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2C)n1 ZINC000353084445 475689653 /nfs/dbraw/zinc/68/96/53/475689653.db2.gz IYMWUSLOWVUKPR-JTQLQIEISA-N -1 1 346.412 2.667 20 30 EFEDMM N#Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000340050870 475717866 /nfs/dbraw/zinc/71/78/66/475717866.db2.gz HRHHJKPKVQJJPF-UHFFFAOYSA-N -1 1 342.754 2.968 20 30 EFEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000355258639 475785303 /nfs/dbraw/zinc/78/53/03/475785303.db2.gz ZPVXHYNHYHVYLV-UHFFFAOYSA-N -1 1 346.746 2.982 20 30 EFEDMM Cc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)c(C(=O)[O-])c1 ZINC000361980815 475912379 /nfs/dbraw/zinc/91/23/79/475912379.db2.gz MDEJYHLWKFLGOO-UHFFFAOYSA-N -1 1 330.365 2.674 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1[O-] ZINC000333412848 475929961 /nfs/dbraw/zinc/92/99/61/475929961.db2.gz DJEWUKIOLFOGBA-FQEVSTJZSA-N -1 1 334.375 2.926 20 30 EFEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)cc1[O-] ZINC000343353626 475977805 /nfs/dbraw/zinc/97/78/05/475977805.db2.gz ZSTUNKFQCFHACJ-YJBOKZPZSA-N -1 1 340.354 2.911 20 30 EFEDMM C=C(C)CCc1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000349774984 475997838 /nfs/dbraw/zinc/99/78/38/475997838.db2.gz CEUZMZXHJCFXOY-UHFFFAOYSA-N -1 1 339.417 2.915 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cn1 ZINC000350015417 476031735 /nfs/dbraw/zinc/03/17/35/476031735.db2.gz YFHZHMNTNOHLAF-UHFFFAOYSA-N -1 1 331.397 2.692 20 30 EFEDMM N#CC(=C([O-])c1cnn2ccncc12)c1ccc(C(F)(F)F)cn1 ZINC000338628337 476063393 /nfs/dbraw/zinc/06/33/93/476063393.db2.gz UYLIFGJABUAJCY-JTQLQIEISA-N -1 1 331.257 2.633 20 30 EFEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340566533 476111302 /nfs/dbraw/zinc/11/13/02/476111302.db2.gz COAKCSTZAWRUJK-UHFFFAOYSA-N -1 1 332.319 2.970 20 30 EFEDMM C=CCc1cccc(C(C)C)c1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000356830874 476136811 /nfs/dbraw/zinc/13/68/11/476136811.db2.gz ANGOQBIUNJQFCG-UHFFFAOYSA-N -1 1 337.383 2.522 20 30 EFEDMM N#Cc1cc(F)c(C(=O)[N-]c2nc3cc(Cl)ccn3n2)c(F)c1 ZINC000362296435 476150830 /nfs/dbraw/zinc/15/08/30/476150830.db2.gz JCHKCOZEAYMCMU-UHFFFAOYSA-N -1 1 333.685 2.785 20 30 EFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1[N+](=O)[O-] ZINC000336881278 476172437 /nfs/dbraw/zinc/17/24/37/476172437.db2.gz SJMTUWKLOAQJHK-UHFFFAOYSA-N -1 1 347.352 2.584 20 30 EFEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(F)c2C#N)[n-]c1=O ZINC000357071154 476205245 /nfs/dbraw/zinc/20/52/45/476205245.db2.gz JKPWFQZHFVQCCR-YFHOEESVSA-N -1 1 327.315 2.930 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2c(F)cccc2OC(F)F)cc1[O-] ZINC000357331210 476333915 /nfs/dbraw/zinc/33/39/15/476333915.db2.gz BRPQQAKITPWWMS-UHFFFAOYSA-N -1 1 336.269 2.934 20 30 EFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1C ZINC000357495269 476416045 /nfs/dbraw/zinc/41/60/45/476416045.db2.gz ZQFNEAIZFYFUEZ-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM N#CC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000354125387 476444258 /nfs/dbraw/zinc/44/42/58/476444258.db2.gz RJGNXYWJFVEFMB-UHFFFAOYSA-N -1 1 344.017 2.558 20 30 EFEDMM Cc1oc(C#N)cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366658975 477119490 /nfs/dbraw/zinc/11/94/90/477119490.db2.gz AAFQORDTIDLOSH-UHFFFAOYSA-N -1 1 338.363 2.900 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)o1 ZINC000376293902 477271793 /nfs/dbraw/zinc/27/17/93/477271793.db2.gz ORDVYCYQFCZJOD-GFCCVEGCSA-N -1 1 338.772 2.607 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1 ZINC000416937998 477379038 /nfs/dbraw/zinc/37/90/38/477379038.db2.gz KGJLLPQIYRBAHK-INIZCTEOSA-N -1 1 331.397 2.704 20 30 EFEDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)[C@@H](C#N)CC)c2)n1 ZINC000416961024 477388597 /nfs/dbraw/zinc/38/85/97/477388597.db2.gz RHQQXNNSOHGDMY-GFCCVEGCSA-N -1 1 334.401 2.651 20 30 EFEDMM C=C(C)C(C)(C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000424588240 477443423 /nfs/dbraw/zinc/44/34/23/477443423.db2.gz XLEDGUPCSUPRAS-UHFFFAOYSA-N -1 1 326.418 2.608 20 30 EFEDMM C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1 ZINC000436516254 477501393 /nfs/dbraw/zinc/50/13/93/477501393.db2.gz VICXLHPPDGNDMJ-UHFFFAOYSA-N -1 1 327.336 2.996 20 30 EFEDMM COCc1nc(=NC2CCC(Oc3ccccc3C#N)CC2)s[n-]1 ZINC000426879222 477754744 /nfs/dbraw/zinc/75/47/44/477754744.db2.gz PTSKBYRKOFPVPL-UHFFFAOYSA-N -1 1 344.440 2.780 20 30 EFEDMM N#C[C@]1([N-]S(=O)(=O)c2sccc2F)CCc2ccccc2C1 ZINC000450998137 477787299 /nfs/dbraw/zinc/78/72/99/477787299.db2.gz LCJZZWGKTGFAPF-HNNXBMFYSA-N -1 1 336.413 2.617 20 30 EFEDMM C=CC(C)(C)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000456112295 477794741 /nfs/dbraw/zinc/79/47/41/477794741.db2.gz CJFQPXCSVFVLHG-UHFFFAOYSA-N -1 1 340.427 2.814 20 30 EFEDMM CC[C@@H](CS(=O)(=O)[N-]c1ccccc1SCCC#N)OC ZINC000421150892 477983582 /nfs/dbraw/zinc/98/35/82/477983582.db2.gz IYFHPGGVFYFJBA-LBPRGKRZSA-N -1 1 328.459 2.859 20 30 EFEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)C2CC2)c([O-])c1 ZINC000494473435 477995428 /nfs/dbraw/zinc/99/54/28/477995428.db2.gz VASUAEFAUJYQJQ-CYBMUJFWSA-N -1 1 331.372 2.771 20 30 EFEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(F)cc([N+](=O)[O-])c3)nc1-2 ZINC000429566886 478155513 /nfs/dbraw/zinc/15/55/13/478155513.db2.gz KULPXUYVQLOGLE-LBPRGKRZSA-N -1 1 339.286 2.804 20 30 EFEDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000495545603 478226231 /nfs/dbraw/zinc/22/62/31/478226231.db2.gz XWGCBLGDKJSGOM-UHFFFAOYSA-N -1 1 345.380 2.732 20 30 EFEDMM CCc1ccc([C@H](C#N)NC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000489966516 478294466 /nfs/dbraw/zinc/29/44/66/478294466.db2.gz PFCIVHJGBDFBHF-AWEZNQCLSA-N -1 1 326.425 2.696 20 30 EFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)OCC ZINC000562730542 478333699 /nfs/dbraw/zinc/33/36/99/478333699.db2.gz NREPPLFTSHIQLD-ZDUSSCGKSA-N -1 1 337.397 2.609 20 30 EFEDMM Cc1cc(=O)[n-]c(N=NC(C)CCCCNC(=O)OC(C)(C)C)n1 ZINC000495852327 478364255 /nfs/dbraw/zinc/36/42/55/478364255.db2.gz WBJOJMKTULQMPI-UHFFFAOYSA-N -1 1 337.424 2.973 20 30 EFEDMM C=CCN(Cc1cccs1)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000581137617 478375035 /nfs/dbraw/zinc/37/50/35/478375035.db2.gz WYOOUXZHQZZHBY-HNNXBMFYSA-N -1 1 347.436 2.874 20 30 EFEDMM Cn1ccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000525948326 478399817 /nfs/dbraw/zinc/39/98/17/478399817.db2.gz HSUOFJJTGIWCJF-KRWDZBQOSA-N -1 1 332.363 2.517 20 30 EFEDMM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000495971475 478447197 /nfs/dbraw/zinc/44/71/97/478447197.db2.gz RFUZRBTZVZGQLV-LBPRGKRZSA-N -1 1 347.415 2.687 20 30 EFEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CCN1Cc1ccccc1 ZINC000591097700 478464176 /nfs/dbraw/zinc/46/41/76/478464176.db2.gz QIROUNPQMPXECQ-HNNXBMFYSA-N -1 1 335.407 2.610 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCC2)cc1[O-] ZINC000597848510 478538613 /nfs/dbraw/zinc/53/86/13/478538613.db2.gz WASYVIVBGSLEBU-SFHVURJKSA-N -1 1 336.391 2.898 20 30 EFEDMM N#Cc1sccc1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000597933376 478583192 /nfs/dbraw/zinc/58/31/92/478583192.db2.gz NXDFQCBRXSOXHY-UHFFFAOYSA-N -1 1 347.827 2.941 20 30 EFEDMM C#C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000491627103 478604531 /nfs/dbraw/zinc/60/45/31/478604531.db2.gz JQHKOVYMOVHARQ-AWEZNQCLSA-N -1 1 337.766 2.681 20 30 EFEDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000496585065 478672349 /nfs/dbraw/zinc/67/23/49/478672349.db2.gz GXDOQNKGYJPGJG-UHFFFAOYSA-N -1 1 345.380 2.732 20 30 EFEDMM C#C[C@@H](C)N(C)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000491804260 478687888 /nfs/dbraw/zinc/68/78/88/478687888.db2.gz LKTCXARDJBJCKZ-LLVKDONJSA-N -1 1 341.333 2.659 20 30 EFEDMM C#CCO[N-]C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000496873604 478703782 /nfs/dbraw/zinc/70/37/82/478703782.db2.gz IDGHKDJWUPAHLX-OAHLLOKOSA-N -1 1 332.400 2.714 20 30 EFEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000496936156 478710747 /nfs/dbraw/zinc/71/07/47/478710747.db2.gz DBUKLOALZIACAV-UHFFFAOYSA-N -1 1 345.380 2.846 20 30 EFEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000592381986 478874949 /nfs/dbraw/zinc/87/49/49/478874949.db2.gz CPOKMYHJWKHSOP-MFKMUULPSA-N -1 1 347.362 2.851 20 30 EFEDMM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ncccc2C(F)(F)F)C1 ZINC000592381984 478875983 /nfs/dbraw/zinc/87/59/83/478875983.db2.gz CPOKMYHJWKHSOP-GXFFZTMASA-N -1 1 347.362 2.851 20 30 EFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000573555475 479090573 /nfs/dbraw/zinc/09/05/73/479090573.db2.gz FTRDVAAHIGMRHK-RQJHMYQMSA-N -1 1 328.242 2.677 20 30 EFEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000550105545 479144704 /nfs/dbraw/zinc/14/47/04/479144704.db2.gz MEPATMZKMZMOHU-UHFFFAOYSA-N -1 1 347.234 2.836 20 30 EFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000555838969 479166867 /nfs/dbraw/zinc/16/68/67/479166867.db2.gz ODMWMOPQAZFYAX-CQSZACIVSA-N -1 1 347.396 2.976 20 30 EFEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000611280095 479335616 /nfs/dbraw/zinc/33/56/16/479335616.db2.gz ODYCLAPSUXJXCA-GOSISDBHSA-N -1 1 337.423 2.851 20 30 EFEDMM Cn1ncc([N-]S(=O)(=O)CCC(C)(C)C#N)c1-c1ccccc1 ZINC000574815147 479352114 /nfs/dbraw/zinc/35/21/14/479352114.db2.gz RKXCVTRTRHONAF-UHFFFAOYSA-N -1 1 332.429 2.769 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2c(F)cccc2N2CCCC2)c1 ZINC000586855619 479364458 /nfs/dbraw/zinc/36/44/58/479364458.db2.gz NKUBWPIFFUMFEH-UHFFFAOYSA-N -1 1 339.370 2.933 20 30 EFEDMM CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000586857537 479364735 /nfs/dbraw/zinc/36/47/35/479364735.db2.gz CLEDIBGIJORHGJ-UHFFFAOYSA-N -1 1 340.364 2.648 20 30 EFEDMM N#Cc1cccc(CN2CCC(N=c3[n-]nc(C4CC4)s3)CC2)c1 ZINC000593516438 479374406 /nfs/dbraw/zinc/37/44/06/479374406.db2.gz YYHOURSELIQTRP-UHFFFAOYSA-N -1 1 339.468 2.786 20 30 EFEDMM COCC1(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)CC1 ZINC000603419301 479380025 /nfs/dbraw/zinc/38/00/25/479380025.db2.gz SVCKNYASLMYSGM-LBPRGKRZSA-N -1 1 340.470 2.859 20 30 EFEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000588767961 479440122 /nfs/dbraw/zinc/44/01/22/479440122.db2.gz PPGIOQOVAGTHIA-UHFFFAOYSA-N -1 1 332.367 2.532 20 30 EFEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589166757 479488928 /nfs/dbraw/zinc/48/89/28/479488928.db2.gz YQRNYXUQLGDNTK-UHFFFAOYSA-N -1 1 336.351 2.824 20 30 EFEDMM COCCOc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1OC ZINC000589168530 479490879 /nfs/dbraw/zinc/49/08/79/479490879.db2.gz ZDLKTCJAOGRPMI-UHFFFAOYSA-N -1 1 342.351 2.550 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N(CCCO)Cc2cccc(Cl)c2)c1 ZINC000614720498 479491283 /nfs/dbraw/zinc/49/12/83/479491283.db2.gz GBWZOOIBJGDEBJ-UHFFFAOYSA-N -1 1 344.798 2.942 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1 ZINC000589181109 479493304 /nfs/dbraw/zinc/49/33/04/479493304.db2.gz VXJSLZFHLBXDPC-UHFFFAOYSA-N -1 1 339.326 2.782 20 30 EFEDMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188964 479494305 /nfs/dbraw/zinc/49/43/05/479494305.db2.gz XFGDFYQISMCVBP-MCFWBGNESA-N -1 1 342.420 2.834 20 30 EFEDMM COC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)c(F)c1 ZINC000589197470 479495555 /nfs/dbraw/zinc/49/55/55/479495555.db2.gz WBZRIVBWICHBHI-MRXNPFEDSA-N -1 1 332.306 2.660 20 30 EFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)nn1-c1ccc(C)cc1 ZINC000589197030 479495591 /nfs/dbraw/zinc/49/55/91/479495591.db2.gz UIZIMNHFZHJOCS-UHFFFAOYSA-N -1 1 332.363 2.741 20 30 EFEDMM CCCCCn1cc(CNC(=O)c2cc([O-])cc(C#N)c2)c(C)n1 ZINC000589196667 479496225 /nfs/dbraw/zinc/49/62/25/479496225.db2.gz ATKPPBXLJCWIDQ-UHFFFAOYSA-N -1 1 326.400 2.889 20 30 EFEDMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589196462 479497081 /nfs/dbraw/zinc/49/70/81/479497081.db2.gz DBLRNGMJPDBKEZ-PIGZYNQJSA-N -1 1 328.343 2.909 20 30 EFEDMM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000593899111 479502556 /nfs/dbraw/zinc/50/25/56/479502556.db2.gz ZNNKPVXRWAELIY-UHFFFAOYSA-N -1 1 332.400 2.894 20 30 EFEDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589592020 479542210 /nfs/dbraw/zinc/54/22/10/479542210.db2.gz HGOVDBJNHAAHRO-UHFFFAOYSA-N -1 1 326.381 2.738 20 30 EFEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CC1(C#N)CCCCC1 ZINC000597237069 479636200 /nfs/dbraw/zinc/63/62/00/479636200.db2.gz WMYNAEPXBAXUBW-UHFFFAOYSA-N -1 1 341.415 2.532 20 30 EFEDMM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000615427266 479672827 /nfs/dbraw/zinc/67/28/27/479672827.db2.gz HLDUQLPHFWEXKY-UHFFFAOYSA-N -1 1 332.363 2.688 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1[O-] ZINC000615431065 479672897 /nfs/dbraw/zinc/67/28/97/479672897.db2.gz RYJIHGGGYBHCRI-QGZVFWFLSA-N -1 1 332.363 2.632 20 30 EFEDMM Cc1ccccc1-c1nc(CNC(=O)c2cc([O-])cc(C#N)c2)no1 ZINC000619440450 479790851 /nfs/dbraw/zinc/79/08/51/479790851.db2.gz KPSIPQRKSJJOKA-UHFFFAOYSA-N -1 1 334.335 2.552 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Br)cn1 ZINC000619451427 479797079 /nfs/dbraw/zinc/79/70/79/479797079.db2.gz MXPXEZPKSYQFNN-SECBINFHSA-N -1 1 346.184 2.912 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461182 479800118 /nfs/dbraw/zinc/80/01/18/479800118.db2.gz PSRQZVKXKMPZOT-UHFFFAOYSA-N -1 1 329.381 2.512 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463362 479801103 /nfs/dbraw/zinc/80/11/03/479801103.db2.gz NSDDLBOYNDGSIT-UHFFFAOYSA-N -1 1 340.408 2.857 20 30 EFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1C ZINC000619463196 479801458 /nfs/dbraw/zinc/80/14/58/479801458.db2.gz QEJBIYPLTQIGNA-UHFFFAOYSA-N -1 1 344.392 2.649 20 30 EFEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)[nH]n2)o1 ZINC000619463971 479801603 /nfs/dbraw/zinc/80/16/03/479801603.db2.gz OKAAGSWQHCISSD-UHFFFAOYSA-N -1 1 342.380 2.845 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000616034341 479812941 /nfs/dbraw/zinc/81/29/41/479812941.db2.gz YFDVKTFAUWKIIY-ZDUSSCGKSA-N -1 1 339.370 2.659 20 30 EFEDMM C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616176348 479843865 /nfs/dbraw/zinc/84/38/65/479843865.db2.gz HKXQNCXMCVXAKJ-AUUYWEPGSA-N -1 1 335.407 2.514 20 30 EFEDMM CCOC(=O)c1sc([N-]C(=O)c2ncoc2CC)c(C#N)c1C ZINC000610037091 480232100 /nfs/dbraw/zinc/23/21/00/480232100.db2.gz VGDLAKAOVHAFMG-UHFFFAOYSA-N -1 1 333.369 2.908 20 30 EFEDMM C=CCCC(C)(C)NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000620861452 480255640 /nfs/dbraw/zinc/25/56/40/480255640.db2.gz QMUIQBMYZSUCNF-UHFFFAOYSA-N -1 1 340.427 2.544 20 30 EFEDMM CN(C)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1F ZINC000614297915 480258015 /nfs/dbraw/zinc/25/80/15/480258015.db2.gz QPXWKQFWWBZBRY-INIZCTEOSA-N -1 1 345.349 2.575 20 30 EFEDMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295513 480258367 /nfs/dbraw/zinc/25/83/67/480258367.db2.gz PYXUARCSHKRQNF-UHFFFAOYSA-N -1 1 337.379 2.591 20 30 EFEDMM COC(=O)[C@H](C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614300831 480259434 /nfs/dbraw/zinc/25/94/34/480259434.db2.gz WKFBRGOADZNOMY-SJKOYZFVSA-N -1 1 338.363 2.544 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c1 ZINC000614304852 480261471 /nfs/dbraw/zinc/26/14/71/480261471.db2.gz QRWSBZDTBTXPNH-OAHLLOKOSA-N -1 1 339.370 2.802 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2OCCn2ccnc2)c1 ZINC000614365579 480283665 /nfs/dbraw/zinc/28/36/65/480283665.db2.gz ZDBLAVJIFVDMBL-UHFFFAOYSA-N -1 1 348.362 2.792 20 30 EFEDMM C=CCN(C(=O)c1cc(Br)ccc1[O-])[C@H](C)COC ZINC000617576142 480285468 /nfs/dbraw/zinc/28/54/68/480285468.db2.gz MYZOLHAFWMAXEU-SNVBAGLBSA-N -1 1 328.206 2.818 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000614370596 480285677 /nfs/dbraw/zinc/28/56/77/480285677.db2.gz QUYGIKAMUGAOML-ZDUSSCGKSA-N -1 1 332.363 2.941 20 30 EFEDMM CC(C)(NC(=O)c1cc([O-])cc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000614375287 480287444 /nfs/dbraw/zinc/28/74/44/480287444.db2.gz WSOAVPVLOJANEW-UHFFFAOYSA-N -1 1 347.378 2.510 20 30 EFEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[nH]n1 ZINC000610705961 480369792 /nfs/dbraw/zinc/36/97/92/480369792.db2.gz FDEDXGUKBSWWII-UHFFFAOYSA-N -1 1 340.355 2.658 20 30 EFEDMM C=C[C@H]1CCCCN1C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000626687437 480471153 /nfs/dbraw/zinc/47/11/53/480471153.db2.gz SOIKCBZCFPXSTG-LBPRGKRZSA-N -1 1 342.395 2.726 20 30 EFEDMM C=CC[C@H](CO)CN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418927795 534381735 /nfs/dbraw/zinc/38/17/35/534381735.db2.gz UIXKIJBDKAWOID-LURJTMIESA-N -1 1 345.184 2.943 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000076935793 519744637 /nfs/dbraw/zinc/74/46/37/519744637.db2.gz AKQUVTPJJIIVSX-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000063442282 520042184 /nfs/dbraw/zinc/04/21/84/520042184.db2.gz WYQWTUHAJOMSPC-UHFFFAOYSA-N -1 1 346.408 2.774 20 30 EFEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000076839247 521989864 /nfs/dbraw/zinc/98/98/64/521989864.db2.gz GTMVUKBOZXVPRN-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1F ZINC000355830058 534719186 /nfs/dbraw/zinc/71/91/86/534719186.db2.gz IKIDRNNVEDRTOG-UHFFFAOYSA-N -1 1 347.371 2.651 20 30 EFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000177990413 526633326 /nfs/dbraw/zinc/63/33/26/526633326.db2.gz SEBSIFHADMUMKF-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000355076404 535703461 /nfs/dbraw/zinc/70/34/61/535703461.db2.gz 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Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)[nH]nc1C1CC1 ZINC000760318381 576004329 /nfs/dbraw/zinc/00/43/29/576004329.db2.gz DRDYKIYVWUMAKU-UHFFFAOYSA-N -1 1 336.804 2.921 20 30 EFEDMM C=CCN1C(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc32)SC1=S ZINC000765498492 577047288 /nfs/dbraw/zinc/04/72/88/577047288.db2.gz DIDZXSWMXSSVRI-KPKJPENVSA-N -1 1 345.405 2.648 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNc3ccc([N+](=O)[O-])cc3)n[nH]c2c1 ZINC000765544054 577053047 /nfs/dbraw/zinc/05/30/47/577053047.db2.gz RGJCFOHDSRXWCY-UHFFFAOYSA-N -1 1 325.284 2.615 20 30 EFEDMM O=C(C#Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765755433 577072871 /nfs/dbraw/zinc/07/28/71/577072871.db2.gz INRQABIOOWPASP-UHFFFAOYSA-N -1 1 330.181 2.823 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2cccs2)cc1F ZINC000766473243 577155450 /nfs/dbraw/zinc/15/54/50/577155450.db2.gz ARROPCLNEWABSF-UHFFFAOYSA-N -1 1 332.385 2.677 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccccc2F)s1 ZINC000766476939 577156194 /nfs/dbraw/zinc/15/61/94/577156194.db2.gz 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577382104 /nfs/dbraw/zinc/38/21/04/577382104.db2.gz DNNKPLWNFZCVTA-UHFFFAOYSA-N -1 1 337.314 2.952 20 30 EFEDMM CCO[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1(C)C ZINC000769807112 577386754 /nfs/dbraw/zinc/38/67/54/577386754.db2.gz GTGRFKOOPOPAAM-GFCCVEGCSA-N -1 1 346.435 2.890 20 30 EFEDMM C[C@H]1CCc2c(F)cccc2C1N=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769808188 577386930 /nfs/dbraw/zinc/38/69/30/577386930.db2.gz CJYCYVRSXHXKGB-VIFPVBQESA-N -1 1 340.362 2.607 20 30 EFEDMM CC[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CCO1 ZINC000769814122 577387446 /nfs/dbraw/zinc/38/74/46/577387446.db2.gz XWCHJEXKKSRYCX-NSHDSACASA-N -1 1 332.408 2.644 20 30 EFEDMM Cc1cc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc(C)c1F ZINC000769818252 577387595 /nfs/dbraw/zinc/38/75/95/577387595.db2.gz IGKFDVLNLQHBQU-UHFFFAOYSA-N -1 1 328.351 2.661 20 30 EFEDMM COc1c([O-])c(C=NNCCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000773055332 581391247 /nfs/dbraw/zinc/39/12/47/581391247.db2.gz NCQJXDVAZIQBJL-UHFFFAOYSA-N -1 1 329.356 2.865 20 30 EFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000773055768 581391584 /nfs/dbraw/zinc/39/15/84/581391584.db2.gz JTQHCKIDPVIAPI-JGVFFNPUSA-N -1 1 340.253 2.514 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(C)c(F)c(C)c2)o1 ZINC000735451151 599066841 /nfs/dbraw/zinc/06/68/41/599066841.db2.gz QKTXAHJSRWKDKE-UHFFFAOYSA-N -1 1 329.339 2.755 20 30 EFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000819865910 597603712 /nfs/dbraw/zinc/60/37/12/597603712.db2.gz PUZVESIBWVVNNP-CYBMUJFWSA-N -1 1 340.261 2.525 20 30 EFEDMM Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@](C)(C#N)CC(=O)[O-])[nH]c2c1 ZINC000821103715 598225996 /nfs/dbraw/zinc/22/59/96/598225996.db2.gz MWMBDIVBOQAGAX-RDTXWAMCSA-N -1 1 340.383 2.539 20 30 EFEDMM Cc1nc(C)c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000735451138 598362831 /nfs/dbraw/zinc/36/28/31/598362831.db2.gz PQCAGZNEFASFQV-UHFFFAOYSA-N -1 1 346.420 2.888 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000739128454 600104079 /nfs/dbraw/zinc/10/40/79/600104079.db2.gz DZBHHKGBMVWAIO-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000736544706 600374547 /nfs/dbraw/zinc/37/45/47/600374547.db2.gz JRTRUMCOWRMESA-STQMWFEESA-N -1 1 349.456 2.672 20 30 EFEDMM CC(=O)Nc1cccc2c1CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000736168185 600564829 /nfs/dbraw/zinc/56/48/29/600564829.db2.gz CSLCUAARRHQJRR-LJQANCHMSA-N -1 1 349.390 2.701 20 30 EFEDMM CC(C)Oc1ncccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736493202 600593280 /nfs/dbraw/zinc/59/32/80/600593280.db2.gz NZASOBDTAHMLDR-INIZCTEOSA-N -1 1 325.368 2.656 20 30 EFEDMM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000736493742 600594118 /nfs/dbraw/zinc/59/41/18/600594118.db2.gz CYKNUKYBWQKIMH-KRWDZBQOSA-N -1 1 325.368 2.656 20 30 EFEDMM NC(=NOCc1ccc(C(=O)[O-])o1)c1ccc(N2CCCCC2)cc1 ZINC000833079497 601056380 /nfs/dbraw/zinc/05/63/80/601056380.db2.gz ZSDBPSPIAVSHHG-UHFFFAOYSA-N -1 1 343.383 2.805 20 30 EFEDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000827717908 601301638 /nfs/dbraw/zinc/30/16/38/601301638.db2.gz MVJKRRJCRSPKDM-BDJLRTHQSA-N -1 1 325.324 2.943 20 30 EFEDMM CCC[C@@](C)(NCC(=O)N(CCC#N)c1ccc(C)c(C)c1)C(=O)[O-] ZINC000829193958 601306009 /nfs/dbraw/zinc/30/60/09/601306009.db2.gz PGFRTZGQNPOWRL-LJQANCHMSA-N -1 1 345.443 2.783 20 30 EFEDMM Cc1ccccc1CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832979756 601309383 /nfs/dbraw/zinc/30/93/83/601309383.db2.gz QFHIFHKCRYSJJI-HXUWFJFHSA-N -1 1 349.434 2.810 20 30 EFEDMM CN(Cc1ccc([S@@](C)=O)cc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830841335 601323919 /nfs/dbraw/zinc/32/39/19/601323919.db2.gz ZZXOYVSNZZNPEX-BXKMTCNYSA-N -1 1 342.420 2.553 20 30 EFEDMM O=C([O-])C(C(O)=CSc1ccncc1)c1nc2ccccc2[nH]1 ZINC000833163005 601547724 /nfs/dbraw/zinc/54/77/24/601547724.db2.gz FPQPQVAKNUWEQW-UHFFFAOYSA-N -1 1 327.365 2.577 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000825702676 601601927 /nfs/dbraw/zinc/60/19/27/601601927.db2.gz UJZKHZSYFLQAEU-HNNXBMFYSA-N -1 1 336.457 2.992 20 30 EFEDMM COCCN(Cc1ccsc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000831734869 601810736 /nfs/dbraw/zinc/81/07/36/601810736.db2.gz DAQCSLFVQSMCRD-UHFFFAOYSA-N -1 1 330.409 2.967 20 30 EFEDMM COc1cc(OC)cc([C@H](NCc2cc(C#N)ccc2F)C(=O)[O-])c1 ZINC000832056471 602175018 /nfs/dbraw/zinc/17/50/18/602175018.db2.gz DAEBECVCXQBBNQ-KRWDZBQOSA-N -1 1 344.342 2.630 20 30 EFEDMM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Br)nc1 ZINC000833408146 605040378 /nfs/dbraw/zinc/04/03/78/605040378.db2.gz WYZDCKFNPAHXON-SECBINFHSA-N -1 1 337.177 2.737 20 30 EFEDMM C[C@H](C(=O)[O-])n1cccc1CN=Nc1cncc(Br)c1 ZINC000833406083 605040677 /nfs/dbraw/zinc/04/06/77/605040677.db2.gz LHIRRZCWSYZLPR-SECBINFHSA-N -1 1 337.177 2.737 20 30 EFEDMM C#CC[C@@H](NCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000833360575 605134048 /nfs/dbraw/zinc/13/40/48/605134048.db2.gz MEFZCADPXKNWRK-QGZVFWFLSA-N -1 1 336.391 2.986 20 30 EFEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)[O-] ZINC000833386895 605322897 /nfs/dbraw/zinc/32/28/97/605322897.db2.gz BBSIYWJWJTZFPB-UHFFFAOYSA-N -1 1 329.312 2.894 20 30 EFEDMM Cc1c(NN=Cc2ccc(-c3nn[n-]n3)s2)cccc1[N+](=O)[O-] ZINC000822123076 606370848 /nfs/dbraw/zinc/37/08/48/606370848.db2.gz UOZGIMFXBAQHAN-UHFFFAOYSA-N -1 1 329.345 2.591 20 30 EFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC000822800991 606554098 /nfs/dbraw/zinc/55/40/98/606554098.db2.gz CWEGVFJHDPZEFU-SNVBAGLBSA-N -1 1 344.787 2.576 20 30 EFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC000822800991 606554100 /nfs/dbraw/zinc/55/41/00/606554100.db2.gz CWEGVFJHDPZEFU-SNVBAGLBSA-N -1 1 344.787 2.576 20 30 EFEDMM CCc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)o1 ZINC000821481397 607148390 /nfs/dbraw/zinc/14/83/90/607148390.db2.gz JEWUSHPGOGXAQV-UHFFFAOYSA-N -1 1 329.364 2.754 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1O ZINC000826190840 608093476 /nfs/dbraw/zinc/09/34/76/608093476.db2.gz PBVCGZJFARRUSJ-RQOWECAXSA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1O ZINC000826190840 608093477 /nfs/dbraw/zinc/09/34/77/608093477.db2.gz PBVCGZJFARRUSJ-RQOWECAXSA-N -1 1 328.353 2.539 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(C)o1 ZINC000826266131 608473645 /nfs/dbraw/zinc/47/36/45/608473645.db2.gz CSXHUXMTBYGHGM-UHFFFAOYSA-N -1 1 329.364 2.808 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCO[C@@H](C(C)C)C2)o1 ZINC000824352407 609159853 /nfs/dbraw/zinc/15/98/53/609159853.db2.gz CMKAKKXMEDVDSJ-LLVKDONJSA-N -1 1 333.396 2.581 20 30 EFEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2c(Cl)cnn2C)cc1 ZINC000850761045 1250599715 /nfs/dbraw/zinc/59/97/15/1250599715.db2.gz ZPKNGGJCVYRSSK-GFCCVEGCSA-N -1 1 330.775 2.597 20 30 EFEDMM CC(C)CN1N=C(C([O-])=C(C#N)c2nc(C3CC3)cs2)CCC1=O ZINC000842944719 1257092084 /nfs/dbraw/zinc/09/20/84/1257092084.db2.gz MRGGDSWZXNJQIC-GFCCVEGCSA-N -1 1 344.440 2.831 20 30 EFEDMM C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060804447 1257106860 /nfs/dbraw/zinc/10/68/60/1257106860.db2.gz XLOBTKJKXOUCPC-SHTZXODSSA-N -1 1 345.443 2.548 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2Cc2cc(F)c([O-])c(F)c2)C1=O ZINC001272785190 1258029158 /nfs/dbraw/zinc/02/91/58/1258029158.db2.gz XOOBMDUCZOOOKQ-GOSISDBHSA-N -1 1 336.382 2.813 20 30 EFEDMM C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062149498 1260179267 /nfs/dbraw/zinc/17/92/67/1260179267.db2.gz IXEHYVHYVJUOPO-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062314763 1260421163 /nfs/dbraw/zinc/42/11/63/1260421163.db2.gz YCFANZLPUFHQGA-LSDHHAIUSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCC#N)cc2)ccc1F ZINC000785447595 1260724041 /nfs/dbraw/zinc/72/40/41/1260724041.db2.gz NWUDGXCJXVTUFL-UHFFFAOYSA-N -1 1 348.355 2.615 20 30 EFEDMM C=C[C@H](CC)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079329 1266555722 /nfs/dbraw/zinc/55/57/22/1266555722.db2.gz XMKATCUWRTUSOT-CABCVRRESA-N -1 1 345.443 2.500 20 30 EFEDMM COc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC000730149746 1264215733 /nfs/dbraw/zinc/21/57/33/1264215733.db2.gz KDQWUTSBUGJYLP-NSCUHMNNSA-N -1 1 349.320 2.965 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000730995995 1264509131 /nfs/dbraw/zinc/50/91/31/1264509131.db2.gz GWEYEEABUHRLOX-UHFFFAOYSA-N -1 1 346.364 2.716 20 30 EFEDMM C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066209444 1266745274 /nfs/dbraw/zinc/74/52/74/1266745274.db2.gz LEWQMIQWLVMMIT-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066429669 1270340639 /nfs/dbraw/zinc/34/06/39/1270340639.db2.gz SFBVMTDFGVHFQZ-LSDHHAIUSA-N -1 1 345.443 2.500 20 30 EFEDMM COC(=O)n1ncc(C#N)c1[N-]c1nnc(Cl)c2cccc(F)c12 ZINC001169962775 1273283666 /nfs/dbraw/zinc/28/36/66/1273283666.db2.gz YILAAFPUELFPIC-UHFFFAOYSA-N -1 1 346.709 2.849 20 30 EFEDMM C[C@@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746491841 1273740325 /nfs/dbraw/zinc/74/03/25/1273740325.db2.gz OFPNBEWLSHWCMV-LLVKDONJSA-N -1 1 325.390 2.580 20 30 EFEDMM C#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000785493248 1275099432 /nfs/dbraw/zinc/09/94/32/1275099432.db2.gz UJTCAUVUQYZONL-UHFFFAOYSA-N -1 1 347.367 2.725 20 30 EFEDMM CC#CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000788281387 1276128246 /nfs/dbraw/zinc/12/82/46/1276128246.db2.gz LDHKNMSSEGMXEE-UHFFFAOYSA-N -1 1 328.393 2.758 20 30 EFEDMM N#Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1C(F)(F)F ZINC001170316194 1279009752 /nfs/dbraw/zinc/00/97/52/1279009752.db2.gz BNLISQOJRJAZPW-UHFFFAOYSA-N -1 1 337.257 2.678 20 30 EFEDMM [O-]c1ccc(C=NN[C@@H](CO)c2ccccc2)cc1Br ZINC000788470095 1276187265 /nfs/dbraw/zinc/18/72/65/1276187265.db2.gz VAOCJTIYJOHCDH-AWEZNQCLSA-N -1 1 335.201 2.812 20 30 EFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC3(CC3)CC2)cc1 ZINC000792636022 1279034195 /nfs/dbraw/zinc/03/41/95/1279034195.db2.gz OUGKLQDPKPJLFO-UHFFFAOYSA-N -1 1 337.401 2.724 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc(-c3ccco3)s2)c(=O)o1 ZINC000789126155 1276520948 /nfs/dbraw/zinc/52/09/48/1276520948.db2.gz CRSSDOCWXSZCST-ISZGNANSSA-N -1 1 329.333 2.631 20 30 EFEDMM O=C1NC2(CCCCC2)C(=O)N1N=Cc1c([O-])ccc(Cl)c1F ZINC000790146304 1277287287 /nfs/dbraw/zinc/28/72/87/1277287287.db2.gz SLIBSUZKKULYKP-UHFFFAOYSA-N -1 1 339.754 2.773 20 30 EFEDMM O=S(=O)(Cc1ccccc1)NN=Cc1c([O-])ccc(Cl)c1F ZINC000790159430 1277302281 /nfs/dbraw/zinc/30/22/81/1277302281.db2.gz FSXVECYETPWZKS-UHFFFAOYSA-N -1 1 342.779 2.638 20 30 EFEDMM COc1ccc(C(=O)[N-]C(=O)CSc2cccc(F)c2C#N)cc1 ZINC000821043959 1277410353 /nfs/dbraw/zinc/41/03/53/1277410353.db2.gz MWRCOCYLDZKYMV-UHFFFAOYSA-N -1 1 344.367 2.755 20 30 EFEDMM Cc1nn(C)c(/C=C2/Oc3cc([O-])ccc3C2=O)c1Br ZINC000790604691 1277674620 /nfs/dbraw/zinc/67/46/20/1277674620.db2.gz TVMWWJDZQVECGU-WUXMJOGZSA-N -1 1 335.157 2.813 20 30 EFEDMM N#Cc1cc([N-]C(=O)c2cncc(Cl)n2)c(Cl)c([N+](=O)[O-])c1 ZINC000790867734 1277814614 /nfs/dbraw/zinc/81/46/14/1277814614.db2.gz RNRJKMSACBLRNA-UHFFFAOYSA-N -1 1 338.110 2.816 20 30 EFEDMM CCCCCCCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001113534518 1278030414 /nfs/dbraw/zinc/03/04/14/1278030414.db2.gz DZHQUBOBOMGZMH-UHFFFAOYSA-N -1 1 346.431 2.657 20 30 EFEDMM CCOC(=O)[C@@H](C#N)[N-]c1c(Br)cc(F)c(F)c1F ZINC001170371611 1279056860 /nfs/dbraw/zinc/05/68/60/1279056860.db2.gz VLAANZBSGFALLJ-SSDOTTSWSA-N -1 1 337.095 2.734 20 30 EFEDMM C=CCN1C(=O)CCC12CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144550197 1279813452 /nfs/dbraw/zinc/81/34/52/1279813452.db2.gz COWKFTNZHBAEKS-UHFFFAOYSA-N -1 1 336.382 2.813 20 30 EFEDMM N#Cc1ccccc1N1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144646671 1279946747 /nfs/dbraw/zinc/94/67/47/1279946747.db2.gz GMBBGGJVFNXDRO-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM C=CCOCc1ncn2c1CN(Cc1cc(F)c([O-])cc1F)CCC2 ZINC001144651459 1279954070 /nfs/dbraw/zinc/95/40/70/1279954070.db2.gz RFVPAKZPZYWSBT-UHFFFAOYSA-N -1 1 349.381 2.975 20 30 EFEDMM C#C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(Cl)cc1 ZINC000794059843 1280016634 /nfs/dbraw/zinc/01/66/34/1280016634.db2.gz KZWYFUKSWTYZSC-ZDUSSCGKSA-N -1 1 342.811 2.776 20 30 EFEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cccc1N(C)C ZINC000794031197 1280025949 /nfs/dbraw/zinc/02/59/49/1280025949.db2.gz YBAXVSNHLWJZIW-UHFFFAOYSA-N -1 1 333.388 2.873 20 30 EFEDMM C=CCN(CC(=O)[O-])C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000846263372 1280091012 /nfs/dbraw/zinc/09/10/12/1280091012.db2.gz KNEFWGIHODAVSW-HNNXBMFYSA-N -1 1 338.407 2.728 20 30 EFEDMM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001145045245 1280713207 /nfs/dbraw/zinc/71/32/07/1280713207.db2.gz UPUJWCUCKXIGIO-CQSZACIVSA-N -1 1 333.388 2.752 20 30 EFEDMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001145081339 1280718048 /nfs/dbraw/zinc/71/80/48/1280718048.db2.gz TXDVHBDDPNSHHK-UHFFFAOYSA-N -1 1 333.388 2.753 20 30 EFEDMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CC(C)(C)C#N ZINC000806018738 1280930993 /nfs/dbraw/zinc/93/09/93/1280930993.db2.gz ZZRPANSPWQBURG-UHFFFAOYSA-N -1 1 340.383 2.578 20 30 EFEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1cc[nH]c1 ZINC001146877195 1281067893 /nfs/dbraw/zinc/06/78/93/1281067893.db2.gz BMJLXHGWIAKUFP-QGMBQPNBSA-N -1 1 339.380 2.802 20 30 EFEDMM COc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC000806559010 1281095940 /nfs/dbraw/zinc/09/59/40/1281095940.db2.gz RVBRTAKTWZJUFP-AATRIKPKSA-N -1 1 343.291 2.903 20 30 EFEDMM Cc1ccccc1-n1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)nn1 ZINC000806573321 1281099414 /nfs/dbraw/zinc/09/94/14/1281099414.db2.gz HYCCYJVQKJTDNR-CLFYSBASSA-N -1 1 349.346 2.876 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccnc(Br)c2F)c([O-])c1 ZINC001147937873 1281345471 /nfs/dbraw/zinc/34/54/71/1281345471.db2.gz XVRKFDJCXDVICD-UHFFFAOYSA-N -1 1 336.120 2.813 20 30 EFEDMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc2)[n-]1 ZINC001148341025 1281505050 /nfs/dbraw/zinc/50/50/50/1281505050.db2.gz VCDYMSCIGYWGHS-SFHVURJKSA-N -1 1 326.400 2.857 20 30 EFEDMM N#Cc1nc(F)ccc1Oc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000808141807 1281553507 /nfs/dbraw/zinc/55/35/07/1281553507.db2.gz JVYDQNLBRNSGFN-UHFFFAOYSA-N -1 1 348.297 2.719 20 30 EFEDMM CC(C)c1ncc(S(=O)(=O)Oc2cc(Cl)cc(C#N)c2)[n-]1 ZINC000808319767 1281646599 /nfs/dbraw/zinc/64/65/99/1281646599.db2.gz JCDWGPSSKBITLK-UHFFFAOYSA-N -1 1 325.777 2.826 20 30 EFEDMM CC(C)c1nc(S(=O)(=O)Oc2cc(Cl)cc(C#N)c2)c[n-]1 ZINC000808319767 1281646607 /nfs/dbraw/zinc/64/66/07/1281646607.db2.gz JCDWGPSSKBITLK-UHFFFAOYSA-N -1 1 325.777 2.826 20 30 EFEDMM C=C[C@@H]1C[C@@]1(NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)OCC ZINC001148799356 1281765190 /nfs/dbraw/zinc/76/51/90/1281765190.db2.gz LZAUYQQNKVEZPD-PSLIRLAXSA-N -1 1 343.301 2.649 20 30 EFEDMM N=C(c1ccccc1N)N(O)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800927 1281766503 /nfs/dbraw/zinc/76/65/03/1281766503.db2.gz OAQYIKUWROSSQS-UHFFFAOYSA-N -1 1 339.273 2.850 20 30 EFEDMM CCc1ccc(N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000809702841 1282414768 /nfs/dbraw/zinc/41/47/68/1282414768.db2.gz ZGIFSDZOVONXNP-UHFFFAOYSA-N -1 1 335.407 2.789 20 30 EFEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1N1CCOCC1 ZINC000809757303 1282458753 /nfs/dbraw/zinc/45/87/53/1282458753.db2.gz MDLJMKJYSWFFNT-UHFFFAOYSA-N -1 1 337.379 2.661 20 30 EFEDMM C=CCCCCCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000809852941 1282513064 /nfs/dbraw/zinc/51/30/64/1282513064.db2.gz RTWAVCYMYYLCIQ-UHFFFAOYSA-N -1 1 327.406 2.795 20 30 EFEDMM N#Cc1cc(F)ccc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810071762 1282806453 /nfs/dbraw/zinc/80/64/53/1282806453.db2.gz MGZOQGNSXFQNFK-LLVKDONJSA-N -1 1 343.324 2.588 20 30 EFEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000810197756 1283031175 /nfs/dbraw/zinc/03/11/75/1283031175.db2.gz UTBDZHYTQITXBH-IWAYRVGRSA-N -1 1 336.347 2.613 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)c1 ZINC000747604131 1283205219 /nfs/dbraw/zinc/20/52/19/1283205219.db2.gz CKMMLADKHYAYQI-UHFFFAOYSA-N -1 1 343.404 2.872 20 30 EFEDMM Cc1noc([N-]c2ccccc2S(=O)(=O)N2CCCCC2)c1C#N ZINC001176023190 1287659714 /nfs/dbraw/zinc/65/97/14/1287659714.db2.gz FJBUQERGZHRGQA-UHFFFAOYSA-N -1 1 346.412 2.773 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(O)cc(C(F)(F)F)c2)c(=O)o1 ZINC000811684668 1284512253 /nfs/dbraw/zinc/51/22/53/1284512253.db2.gz AKEFIPFZMCWTMP-HSWBROFVSA-N -1 1 340.253 2.639 20 30 EFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C/C=C/c1ccc(F)cc1 ZINC000747763307 1284827704 /nfs/dbraw/zinc/82/77/04/1284827704.db2.gz BTEYWEZFWQQCGI-SUAIPXQRSA-N -1 1 349.343 2.711 20 30 EFEDMM N#Cc1c(C(F)(F)F)cc(Cl)nc1[N-]c1nccnc1CN ZINC001171441434 1284982360 /nfs/dbraw/zinc/98/23/60/1284982360.db2.gz RBCVGHQTDULROY-UHFFFAOYSA-N -1 1 328.685 2.618 20 30 EFEDMM C#CCO[N-]C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000812784161 1285417218 /nfs/dbraw/zinc/41/72/18/1285417218.db2.gz YRTOOVDRNMIKRT-AWEZNQCLSA-N -1 1 328.334 2.769 20 30 EFEDMM CCOC(=O)C1=C(NC(=O)CCCC#N)[N-]c2ccccc2N=C1C ZINC000812828470 1285458677 /nfs/dbraw/zinc/45/86/77/1285458677.db2.gz ZGZHCZOFIJJQFZ-UHFFFAOYSA-N -1 1 340.383 2.789 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(N2CCCOC2=O)cc1 ZINC000814681476 1286891501 /nfs/dbraw/zinc/89/15/01/1286891501.db2.gz OBPKDALKDUMQCI-UHFFFAOYSA-N -1 1 341.371 2.673 20 30 EFEDMM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCCN1CCCCC1 ZINC000814808315 1287077243 /nfs/dbraw/zinc/07/72/43/1287077243.db2.gz HEUUSXMSRPBZFW-UHFFFAOYSA-N -1 1 347.459 2.534 20 30 EFEDMM CC(C)OC1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C1 ZINC000814846245 1287096620 /nfs/dbraw/zinc/09/66/20/1287096620.db2.gz CORZTCOILYZDPL-UHFFFAOYSA-N -1 1 332.408 2.642 20 30 EFEDMM Nc1nc(Cl)cc(N=NCc2cccc(C(=O)[O-])c2Cl)n1 ZINC000814899100 1287140440 /nfs/dbraw/zinc/14/04/40/1287140440.db2.gz HFGGTQISEXHTOG-UHFFFAOYSA-N -1 1 326.143 2.510 20 30 EFEDMM [O-]c1cc(F)c(Cl)cc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000814915503 1287174096 /nfs/dbraw/zinc/17/40/96/1287174096.db2.gz XLROSQLKTPHFIN-UHFFFAOYSA-N -1 1 332.726 2.606 20 30 EFEDMM C=CCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493056 1288618400 /nfs/dbraw/zinc/61/84/00/1288618400.db2.gz QXTTURUEURUCMP-LBPRGKRZSA-N -1 1 326.318 2.589 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)C1CC(OCc2ccccc2)C1 ZINC001180938501 1289657159 /nfs/dbraw/zinc/65/71/59/1289657159.db2.gz UHGBTFXKKZSFPE-UHFFFAOYSA-N -1 1 339.395 2.807 20 30 EFEDMM N#Cc1cc(CC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1F ZINC001181172916 1289728329 /nfs/dbraw/zinc/72/83/29/1289728329.db2.gz UFJXTIVPSNNWAC-UHFFFAOYSA-N -1 1 336.326 2.770 20 30 EFEDMM N#Cc1ccc([O-])c(CN2CCN(c3nc4ccccc4o3)CC2)c1 ZINC001232676608 1312758253 /nfs/dbraw/zinc/75/82/53/1312758253.db2.gz OGUWLXXRRUYPRY-UHFFFAOYSA-N -1 1 334.379 2.727 20 30 EFEDMM CC(C)OCc1ncn2c1CN(Cc1cc(C#N)ccc1[O-])CCC2 ZINC001232676981 1312758760 /nfs/dbraw/zinc/75/87/60/1312758760.db2.gz WBTLBUIFQYBWJM-UHFFFAOYSA-N -1 1 340.427 2.791 20 30 EFEDMM COc1ccccc1CN1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232680098 1312760507 /nfs/dbraw/zinc/76/05/07/1312760507.db2.gz XWZWTDSKZGPACJ-UHFFFAOYSA-N -1 1 337.423 2.590 20 30 EFEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001183276451 1290314451 /nfs/dbraw/zinc/31/44/51/1290314451.db2.gz PGZAUXJYLHQVMG-NSHDSACASA-N -1 1 345.786 2.717 20 30 EFEDMM C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232970627 1312822470 /nfs/dbraw/zinc/82/24/70/1312822470.db2.gz HRIGJJOTHTZTFG-KBXCAEBGSA-N -1 1 339.382 2.997 20 30 EFEDMM C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC001186927805 1291041793 /nfs/dbraw/zinc/04/17/93/1291041793.db2.gz NTQLFPCMCDVYMG-LLVKDONJSA-N -1 1 341.392 2.609 20 30 EFEDMM N#Cc1ncc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001187044545 1291082438 /nfs/dbraw/zinc/08/24/38/1291082438.db2.gz UDKCEMUYDUOBCD-UHFFFAOYSA-N -1 1 343.195 2.597 20 30 EFEDMM CCCCCCCCS(=O)(=O)[N-]c1cnccc1C(=O)OC ZINC001187992999 1291281259 /nfs/dbraw/zinc/28/12/59/1291281259.db2.gz DBVKBYMCSPEOKY-UHFFFAOYSA-N -1 1 328.434 2.970 20 30 EFEDMM N#Cc1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC000877745490 1291355274 /nfs/dbraw/zinc/35/52/74/1291355274.db2.gz XCPKQKDMUPTHRT-UHFFFAOYSA-N -1 1 329.350 2.864 20 30 EFEDMM N#Cc1ccc(NC(=O)Nc2cc(F)cc3c2OCOC3)c([O-])c1 ZINC001188871559 1291485576 /nfs/dbraw/zinc/48/55/76/1291485576.db2.gz BZOWNRIPXQZHCK-UHFFFAOYSA-N -1 1 329.287 2.913 20 30 EFEDMM CC(C)(C)C(=O)Nc1ncccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001189208544 1291612951 /nfs/dbraw/zinc/61/29/51/1291612951.db2.gz OGVYGJQNLCURQU-UHFFFAOYSA-N -1 1 338.367 2.896 20 30 EFEDMM N#CC[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000795979881 1291820174 /nfs/dbraw/zinc/82/01/74/1291820174.db2.gz FRAZUJDWXCNBIM-AWEZNQCLSA-N -1 1 339.347 2.911 20 30 EFEDMM O=C(/C=C/NC(=O)c1cccc(OC(F)(F)F)c1[O-])C(F)(F)F ZINC001189765167 1291849133 /nfs/dbraw/zinc/84/91/33/1291849133.db2.gz JCTCXSHACOVUCA-SNAWJCMRSA-N -1 1 343.179 2.666 20 30 EFEDMM N#Cc1cc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)ccc1O ZINC001190270445 1292093037 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CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cccc(C(C)(C)C#N)c1 ZINC001193057253 1293163647 /nfs/dbraw/zinc/16/36/47/1293163647.db2.gz CLFSCRMVSFYFRB-UHFFFAOYSA-N -1 1 338.429 2.571 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(OC(F)(F)C(F)F)c1 ZINC001193097671 1293167043 /nfs/dbraw/zinc/16/70/43/1293167043.db2.gz NSGMPGKSIGZNCY-SSDOTTSWSA-N -1 1 326.271 2.577 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ncc2ccccc2c1Br ZINC001193106633 1293171886 /nfs/dbraw/zinc/17/18/86/1293171886.db2.gz HVRVMPIFGCBFAL-QMMMGPOBSA-N -1 1 340.202 2.651 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC001193146357 1293186160 /nfs/dbraw/zinc/18/61/60/1293186160.db2.gz LMIMAQUHYSYOFE-JTQLQIEISA-N -1 1 347.362 2.959 20 30 EFEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)(F)F)c1 ZINC001193151250 1293186945 /nfs/dbraw/zinc/18/69/45/1293186945.db2.gz OTMWXKMKNLHIFR-ZCFIWIBFSA-N -1 1 328.699 2.892 20 30 EFEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2cnccc2c1Br ZINC001193159019 1293190000 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C=CCn1cnc2nc([N-]C(=O)Oc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC001194084664 1293518829 /nfs/dbraw/zinc/51/88/29/1293518829.db2.gz XTHCYHIPLPKMBA-UHFFFAOYSA-N -1 1 345.746 2.982 20 30 EFEDMM C#CCN1CC2(CCC1=O)CCN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001273671388 1293539547 /nfs/dbraw/zinc/53/95/47/1293539547.db2.gz DOCVSELTKJLPGN-UHFFFAOYSA-N -1 1 348.393 2.508 20 30 EFEDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000132261820 1293643469 /nfs/dbraw/zinc/64/34/69/1293643469.db2.gz BTSKTWNZPXPMME-UHFFFAOYSA-N -1 1 335.316 2.715 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCC(F)F)cc2)c(=O)o1 ZINC000132423722 1293662611 /nfs/dbraw/zinc/66/26/11/1293662611.db2.gz FSGGLYGYYUQAIN-IEXSPKMKSA-N -1 1 336.290 2.559 20 30 EFEDMM COc1ncccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1F ZINC001194717297 1293704942 /nfs/dbraw/zinc/70/49/42/1293704942.db2.gz BLEIQCRFTZDHKH-UHFFFAOYSA-N -1 1 341.751 2.555 20 30 EFEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)nc2C)c(C)c1C ZINC001194836831 1293727061 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CC(C)(C)OC(=O)c1ccc(NC(=O)c2ncccc2C#N)c([O-])c1 ZINC001196558170 1294288190 /nfs/dbraw/zinc/28/81/90/1294288190.db2.gz ATGKIOLMTHKNDO-UHFFFAOYSA-N -1 1 339.351 2.866 20 30 EFEDMM Cc1cc(C#N)c(NC(=O)c2sccc2[N-]S(C)(=O)=O)s1 ZINC001196721284 1294342724 /nfs/dbraw/zinc/34/27/24/1294342724.db2.gz FNQQBPZSCHZCBZ-UHFFFAOYSA-N -1 1 341.439 2.614 20 30 EFEDMM COC(=O)c1ccc(NC(=S)Nc2scc([O-])c2C#N)cc1 ZINC001196726782 1294344377 /nfs/dbraw/zinc/34/43/77/1294344377.db2.gz AFOVCGNSVGCNGC-UHFFFAOYSA-N -1 1 333.394 2.921 20 30 EFEDMM COC(=O)c1ccc(NC(=S)Nc2ccc(C#N)cc2[O-])cc1 ZINC001196761331 1294349751 /nfs/dbraw/zinc/34/97/51/1294349751.db2.gz PTJGQTPOILKZJQ-UHFFFAOYSA-N -1 1 327.365 2.859 20 30 EFEDMM N#Cc1cccc(-c2cc(C(=O)N([O-])C(=N)c3ccccc3N)no2)c1 ZINC001196768859 1294358773 /nfs/dbraw/zinc/35/87/73/1294358773.db2.gz VGCIJVGZEJRYLG-UHFFFAOYSA-N -1 1 347.334 2.652 20 30 EFEDMM COc1ccnc(F)c1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001197136074 1294456737 /nfs/dbraw/zinc/45/67/37/1294456737.db2.gz PWKLLTQWJGNXEU-UHFFFAOYSA-N -1 1 349.325 2.810 20 30 EFEDMM COc1cccc(CS(=O)(=O)[N-]c2cc(F)c(C#N)c(F)c2)c1 ZINC001197389729 1294526206 /nfs/dbraw/zinc/52/62/06/1294526206.db2.gz GNTZZIZAKNREGP-UHFFFAOYSA-N -1 1 338.335 2.787 20 30 EFEDMM N#Cc1ncc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1Cl ZINC001197567861 1294614368 /nfs/dbraw/zinc/61/43/68/1294614368.db2.gz RCFPZKNFYWUWII-UHFFFAOYSA-N -1 1 343.742 2.827 20 30 EFEDMM C=CCOCc1ncn2c1CN(Cc1ccc(C(=O)[O-])cc1)CCC2 ZINC001204151922 1313091831 /nfs/dbraw/zinc/09/18/31/1313091831.db2.gz PTCBTMAMYOWARO-UHFFFAOYSA-N -1 1 341.411 2.690 20 30 EFEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000136593369 1294677981 /nfs/dbraw/zinc/67/79/81/1294677981.db2.gz VMNAWPDEFQYLOR-ZDUSSCGKSA-N -1 1 343.408 2.868 20 30 EFEDMM N#Cc1nc[nH]c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197708238 1294684079 /nfs/dbraw/zinc/68/40/79/1294684079.db2.gz UIIUNUKCMWQAHG-UHFFFAOYSA-N -1 1 334.335 2.818 20 30 EFEDMM C[C@@](C#N)([N-]S(=O)(=O)Cc1ccccn1)c1ccccc1Cl ZINC001197847173 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C=CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)OCC ZINC001323931054 1329585706 /nfs/dbraw/zinc/58/57/06/1329585706.db2.gz ORJSFGOUUXQNJP-GFCCVEGCSA-N -1 1 341.791 2.682 20 30 EFEDMM CC#CC[C@H](NCc1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC001331998874 1330902725 /nfs/dbraw/zinc/90/27/25/1330902725.db2.gz PGICGASSUICMRJ-INIZCTEOSA-N -1 1 345.830 2.849 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC=C(C)C1 ZINC001340346156 1332178083 /nfs/dbraw/zinc/17/80/83/1332178083.db2.gz PHUAOQUMHRCYIM-UHFFFAOYSA-N -1 1 338.415 2.661 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@@H](SC)C1 ZINC001342081167 1332302594 /nfs/dbraw/zinc/30/25/94/1332302594.db2.gz GSLLAOZFFGKAPQ-GFCCVEGCSA-N -1 1 348.476 2.672 20 30 EFEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCSC(CC)(CC)C1 ZINC001342176810 1332313672 /nfs/dbraw/zinc/31/36/72/1332313672.db2.gz FJNBNKZBRYHGLE-UHFFFAOYSA-N -1 1 348.476 2.672 20 30 EFEDMM C=CCN(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@@H]1CCOC1 ZINC001345585255 1332551261 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CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1ccccc1F ZINC001364007535 1337147569 /nfs/dbraw/zinc/14/75/69/1337147569.db2.gz GXYCQKVUCPLCAG-KRWDZBQOSA-N -1 1 346.383 2.614 20 30 EFEDMM C=C(Cl)CN[C@@H](C)c1ccc(CNC(=O)c2[nH]nc(C)c2[O-])cc1 ZINC001402485475 1363730789 /nfs/dbraw/zinc/73/07/89/1363730789.db2.gz BBRITGJVTXKMCW-NSHDSACASA-N -1 1 348.834 2.757 20 30 EFEDMM COc1cc(C#N)ccc1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC001434048694 1387072892 /nfs/dbraw/zinc/07/28/92/1387072892.db2.gz CRVLQDUPILSYAU-UHFFFAOYSA-N -1 1 334.278 2.568 20 30 EFEDMM N#CCOc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC001440341485 1389547818 /nfs/dbraw/zinc/54/78/18/1389547818.db2.gz JPRDNPYJTQOMOI-UHFFFAOYSA-N -1 1 346.346 2.795 20 30 EFEDMM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC001463552176 1396502244 /nfs/dbraw/zinc/50/22/44/1396502244.db2.gz OMCNKGLGDUCYGG-LBPRGKRZSA-N -1 1 338.326 2.871 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cc(F)ccc2OC(F)F)cc1[O-] ZINC001470502988 1397094394 /nfs/dbraw/zinc/09/43/94/1397094394.db2.gz DKZDPIYDYAWNNV-UHFFFAOYSA-N -1 1 336.269 2.934 20 30 EFEDMM Cc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1O ZINC000735450664 1427251404 /nfs/dbraw/zinc/25/14/04/1427251404.db2.gz CAEICJSAAVFCJC-UHFFFAOYSA-N -1 1 341.375 2.828 20 30 EFEDMM C=CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735407893 1427696927 /nfs/dbraw/zinc/69/69/27/1427696927.db2.gz AJUJAMWUBRIDIM-UHFFFAOYSA-N -1 1 339.321 2.724 20 30 EFEDMM CC1(C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H]2CCCO[C@@H]21 ZINC000824784707 1428222362 /nfs/dbraw/zinc/22/23/62/1428222362.db2.gz ZOKSCVPQMGLAGC-ZANVPECISA-N -1 1 347.810 2.518 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(F)cc(F)cc21 ZINC000823505315 1428299232 /nfs/dbraw/zinc/29/92/32/1428299232.db2.gz ZWMUQQOYVLWHGN-CLTKARDFSA-N -1 1 346.318 2.865 20 30 EFEDMM Cn1cc(C=CC(=O)c2ccco2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359852 1428643992 /nfs/dbraw/zinc/64/39/92/1428643992.db2.gz RPDWEZNWTCJKNP-HJWRWDBZSA-N -1 1 346.350 2.756 20 30 EFEDMM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1(C)C ZINC000735679566 1428647119 /nfs/dbraw/zinc/64/71/19/1428647119.db2.gz KQMHVLZTUACNEB-GJZGRUSLSA-N -1 1 336.399 2.915 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccnc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737503381 1428696071 /nfs/dbraw/zinc/69/60/71/1428696071.db2.gz VDHMUTQHSOQNDK-BQYQJAHWSA-N -1 1 334.383 2.522 20 30 EFEDMM Cc1cc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1F ZINC000822202330 1428724488 /nfs/dbraw/zinc/72/44/88/1428724488.db2.gz VSZVBXGDSHBMSL-UHFFFAOYSA-N -1 1 340.293 2.577 20 30 EFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823909722 1428895962 /nfs/dbraw/zinc/89/59/62/1428895962.db2.gz ONDPUISHUOWHCQ-UHFFFAOYSA-N -1 1 348.819 2.738 20 30 EFEDMM N#Cc1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(F)c1 ZINC000826384975 1428926220 /nfs/dbraw/zinc/92/62/20/1428926220.db2.gz RVELCCZGXLDNOQ-UHFFFAOYSA-N -1 1 334.358 2.656 20 30 EFEDMM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000738361761 1428975888 /nfs/dbraw/zinc/97/58/88/1428975888.db2.gz ZYMYVHWFJOZRBZ-UHFFFAOYSA-N -1 1 343.734 2.874 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)C2 ZINC000821849540 1429008250 /nfs/dbraw/zinc/00/82/50/1429008250.db2.gz LSKWUPGXYGHYOD-NTUHNPAUSA-N -1 1 348.362 2.706 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729838 1429030025 /nfs/dbraw/zinc/03/00/25/1429030025.db2.gz NLBIUWXWRYLUCV-GFCCVEGCSA-N -1 1 335.367 2.963 20 30 EFEDMM C[C@@H](Nc1c(C#N)nnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137565 1429098405 /nfs/dbraw/zinc/09/84/05/1429098405.db2.gz KXDFELARZDZHHW-LLVKDONJSA-N -1 1 342.366 2.855 20 30 EFEDMM Cc1c(Cl)cnc(NCc2cc(C#N)ccc2F)c1-c1nnn[n-]1 ZINC000826240455 1429109148 /nfs/dbraw/zinc/10/91/48/1429109148.db2.gz UCKAROOLBBRESG-UHFFFAOYSA-N -1 1 343.753 2.846 20 30 EFEDMM N#CC1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCCCC1 ZINC000737677339 1429131948 /nfs/dbraw/zinc/13/19/48/1429131948.db2.gz BYLHPXRULHWORS-UHFFFAOYSA-N -1 1 329.335 2.523 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@@H]3CCCc4cccc2c43)o1 ZINC000826323051 1429159933 /nfs/dbraw/zinc/15/99/33/1429159933.db2.gz NTIOXEKJMKXNDH-NSHDSACASA-N -1 1 335.371 2.803 20 30 EFEDMM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000735451421 1429302856 /nfs/dbraw/zinc/30/28/56/1429302856.db2.gz ZKTOGKQRJPZZHQ-VIFPVBQESA-N -1 1 340.309 2.710 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736444111 1429489788 /nfs/dbraw/zinc/48/97/88/1429489788.db2.gz CYCNFMCONQLFBQ-ZDUSSCGKSA-N -1 1 330.436 2.988 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccccc2C#N)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234230 1429503041 /nfs/dbraw/zinc/50/30/41/1429503041.db2.gz NEHITRJJZKINRH-HJWRWDBZSA-N -1 1 344.378 2.691 20 30 EFEDMM N#Cc1ccc(OCCCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826385901 1423240248 /nfs/dbraw/zinc/24/02/48/1423240248.db2.gz GQXBETKHMHVCCR-UHFFFAOYSA-N -1 1 339.330 2.725 20 30 EFEDMM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000819765366 1423492145 /nfs/dbraw/zinc/49/21/45/1423492145.db2.gz PBNXVDOTFPJYQL-DHZHZOJOSA-N -1 1 348.341 2.919 20 30 EFEDMM COc1ccc(C=CC(=O)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000737081980 1429685621 /nfs/dbraw/zinc/68/56/21/1429685621.db2.gz SOYZSKYJUJNFLZ-ALCCZGGFSA-N -1 1 331.335 2.643 20 30 EFEDMM N#Cc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1-c1nnn[n-]1 ZINC000737709984 1424130948 /nfs/dbraw/zinc/13/09/48/1424130948.db2.gz SWQUYCYNUSQIAQ-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM C=CCN(CC=C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819740257 1424615287 /nfs/dbraw/zinc/61/52/87/1424615287.db2.gz WNZIMQIXLZDVHS-UHFFFAOYSA-N -1 1 342.403 2.860 20 30 EFEDMM CN(C(=O)c1sccc1C#N)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574489 1424760279 /nfs/dbraw/zinc/76/02/79/1424760279.db2.gz IQNIZJKTORCFJE-UHFFFAOYSA-N -1 1 344.787 2.730 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000822923464 1424808143 /nfs/dbraw/zinc/80/81/43/1424808143.db2.gz SDYWUJMCAUIJCX-VOTSOKGWSA-N -1 1 339.286 2.810 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCO2 ZINC000822921921 1424916171 /nfs/dbraw/zinc/91/61/71/1424916171.db2.gz AIQSIYFMFRWNOM-RQOWECAXSA-N -1 1 326.337 2.553 20 30 EFEDMM CO[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821673432 1425053590 /nfs/dbraw/zinc/05/35/90/1425053590.db2.gz AYTBUACCOHGAEZ-QMMMGPOBSA-N -1 1 328.298 2.708 20 30 EFEDMM C=CCN(CCc1ccco1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823909535 1425064889 /nfs/dbraw/zinc/06/48/89/1425064889.db2.gz IDMHDTSPTBLWIF-UHFFFAOYSA-N -1 1 330.779 2.743 20 30 EFEDMM N#Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000737722956 1425095259 /nfs/dbraw/zinc/09/52/59/1425095259.db2.gz ZOVUAPFOHODERK-UHFFFAOYSA-N -1 1 326.247 2.578 20 30 EFEDMM C=CCCCCCN(C)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735408225 1425101873 /nfs/dbraw/zinc/10/18/73/1425101873.db2.gz IJDLDLPRMIHFLX-UHFFFAOYSA-N -1 1 349.460 2.542 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(O)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201306 1425165391 /nfs/dbraw/zinc/16/53/91/1425165391.db2.gz CBQHRIHTRZIKHK-FPLPWBNLSA-N -1 1 335.367 2.525 20 30 EFEDMM Cc1ccc2ncc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)n2c1 ZINC000822280380 1425332997 /nfs/dbraw/zinc/33/29/97/1425332997.db2.gz LRIPRZYHOKGCAB-VOTSOKGWSA-N -1 1 330.351 2.719 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823894231 1425384872 /nfs/dbraw/zinc/38/48/72/1425384872.db2.gz LDLJHOZZHGJNAR-GFCCVEGCSA-N -1 1 331.445 2.820 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(O)c1 ZINC000821770925 1425455581 /nfs/dbraw/zinc/45/55/81/1425455581.db2.gz ZXBUZXIVFYAVHH-QPJJXVBHSA-N -1 1 340.314 2.616 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(O)c1 ZINC000821770925 1425455584 /nfs/dbraw/zinc/45/55/84/1425455584.db2.gz ZXBUZXIVFYAVHH-QPJJXVBHSA-N -1 1 340.314 2.616 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccnc(Cl)c1 ZINC000826400593 1425540546 /nfs/dbraw/zinc/54/05/46/1425540546.db2.gz CBBKIHAUOQBSRX-RQOWECAXSA-N -1 1 329.722 2.950 20 30 EFEDMM CC(C)(CCC#N)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824152988 1425635408 /nfs/dbraw/zinc/63/54/08/1425635408.db2.gz WUCHYZSIDZMBNP-INIZCTEOSA-N -1 1 340.431 2.570 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826256861 1425670913 /nfs/dbraw/zinc/67/09/13/1425670913.db2.gz CWGYOVQMVSEDNX-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(O)c(F)c1 ZINC000826476064 1425712903 /nfs/dbraw/zinc/71/29/03/1425712903.db2.gz ZZFIQYUNYOMODL-KPKJPENVSA-N -1 1 336.326 2.924 20 30 EFEDMM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822837388 1425762575 /nfs/dbraw/zinc/76/25/75/1425762575.db2.gz MHPPEQDLOCSLLJ-SOFGYWHQSA-N -1 1 349.325 2.634 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccnc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737503382 1425850013 /nfs/dbraw/zinc/85/00/13/1425850013.db2.gz VDHMUTQHSOQNDK-FPLPWBNLSA-N -1 1 334.383 2.522 20 30 EFEDMM Cc1ccc(F)cc1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000826289728 1425866455 /nfs/dbraw/zinc/86/64/55/1425866455.db2.gz KXDGJMADALMROR-UHFFFAOYSA-N -1 1 343.366 2.947 20 30 EFEDMM N#Cc1nccn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826387999 1425963336 /nfs/dbraw/zinc/96/33/36/1425963336.db2.gz DFZVDHBWHPQTPO-UHFFFAOYSA-N -1 1 327.351 2.650 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(Cl)c2O)o1 ZINC000820202403 1425983449 /nfs/dbraw/zinc/98/34/49/1425983449.db2.gz HPYQAUXLJPIKMD-UHFFFAOYSA-N -1 1 347.766 2.783 20 30 EFEDMM Fc1cc(F)cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826372635 1426061905 /nfs/dbraw/zinc/06/19/05/1426061905.db2.gz GFNQYBMRNUYKMY-UHFFFAOYSA-N -1 1 335.705 2.639 20 30 EFEDMM C=CCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000735412440 1426090492 /nfs/dbraw/zinc/09/04/92/1426090492.db2.gz AUZXACCYVVOQNA-UHFFFAOYSA-N -1 1 327.344 2.682 20 30 EFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819743463 1426112927 /nfs/dbraw/zinc/11/29/27/1426112927.db2.gz KAGNRVTYZSICIR-UHFFFAOYSA-N -1 1 348.819 2.738 20 30 EFEDMM CN(CCC#N)C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736792879 1426174475 /nfs/dbraw/zinc/17/44/75/1426174475.db2.gz UBDFVRFZIUULNR-UHFFFAOYSA-N -1 1 347.382 2.596 20 30 EFEDMM FC(F)(F)c1cccc(NN=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000826368818 1426215370 /nfs/dbraw/zinc/21/53/70/1426215370.db2.gz CDUDMXWLRCEGDB-UHFFFAOYSA-N -1 1 333.277 2.727 20 30 EFEDMM N#C[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1cccs1 ZINC000826379753 1426240192 /nfs/dbraw/zinc/24/01/92/1426240192.db2.gz AJBQJUOXDLZHPE-VIFPVBQESA-N -1 1 345.409 2.529 20 30 EFEDMM CCc1c(C)sc(NC(=O)c2cc(C#N)cs2)c1-c1nn[n-]n1 ZINC000821465951 1426440007 /nfs/dbraw/zinc/44/00/07/1426440007.db2.gz RUECRXAGVMWOBK-UHFFFAOYSA-N -1 1 344.425 2.985 20 30 EFEDMM C=CCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735412639 1426553628 /nfs/dbraw/zinc/55/36/28/1426553628.db2.gz GHPSWLBGLMLEDH-UHFFFAOYSA-N -1 1 330.392 2.695 20 30 EFEDMM C=C[C@H](CC)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823883752 1426574851 /nfs/dbraw/zinc/57/48/51/1426574851.db2.gz ZPXNGQSDXLZQDD-CQSZACIVSA-N -1 1 330.388 2.924 20 30 EFEDMM C[C@H](C#N)CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000824034647 1426609531 /nfs/dbraw/zinc/60/95/31/1426609531.db2.gz MOWFAIFRRRDQLE-SECBINFHSA-N -1 1 327.779 2.664 20 30 EFEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(Cl)nc2)o1 ZINC000820108526 1426662530 /nfs/dbraw/zinc/66/25/30/1426662530.db2.gz LZXYWWAWKVNEHD-UHFFFAOYSA-N -1 1 346.782 2.548 20 30 EFEDMM Cc1c(Cl)cnc(NCc2cc(-c3nnn[n-]3)ccc2F)c1C#N ZINC000826240326 1426790980 /nfs/dbraw/zinc/79/09/80/1426790980.db2.gz NICLRBVOZODYPT-UHFFFAOYSA-N -1 1 343.753 2.846 20 30 EFEDMM CCc1nc2ccccc2n1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821509450 1426812069 /nfs/dbraw/zinc/81/20/69/1426812069.db2.gz HGPPRQDTVHDEBZ-UHFFFAOYSA-N -1 1 335.346 2.800 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823838743 1426840785 /nfs/dbraw/zinc/84/07/85/1426840785.db2.gz TZAZDQGGTHYVHK-GFCCVEGCSA-N -1 1 334.335 2.838 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)cc(C)c1OCCOc1cccc(C#N)c1 ZINC000737221796 1426911484 /nfs/dbraw/zinc/91/14/84/1426911484.db2.gz OYLJXXIZCFLMET-UHFFFAOYSA-N -1 1 335.367 2.813 20 30 EFEDMM COc1cccc(F)c1C(C)=NNc1cccc(-c2nnn[n-]2)c1 ZINC000737131422 1426919765 /nfs/dbraw/zinc/91/97/65/1426919765.db2.gz CYNUPPQUBGLNPK-UHFFFAOYSA-N -1 1 326.335 2.851 20 30 EFEDMM C#CCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819698068 1426937058 /nfs/dbraw/zinc/93/70/58/1426937058.db2.gz REAGHXBMNGGMCG-UHFFFAOYSA-N -1 1 347.378 2.721 20 30 EFEDMM C[C@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612256 1426946675 /nfs/dbraw/zinc/94/66/75/1426946675.db2.gz LQVXLJNSHIMBPF-JTQLQIEISA-N -1 1 340.337 2.867 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000822829782 1426973239 /nfs/dbraw/zinc/97/32/39/1426973239.db2.gz IWXISIUBPFOGGN-RHSMWYFYSA-N -1 1 344.378 2.556 20 30 EFEDMM N#CC1(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC000826379907 1426982897 /nfs/dbraw/zinc/98/28/97/1426982897.db2.gz GRTNYPHPWOKXQP-CMDGGOBGSA-N -1 1 337.383 2.897 20 30 EFEDMM CCOc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000825632168 1427029805 /nfs/dbraw/zinc/02/98/05/1427029805.db2.gz MSWARIQQDLKFQX-UHFFFAOYSA-N -1 1 326.385 2.811 20 30 EFEDMM C=CCN(Cc1ncc(C2CC2)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915330 1427036106 /nfs/dbraw/zinc/03/61/06/1427036106.db2.gz VDMPIBUXCXUDHX-UHFFFAOYSA-N -1 1 336.399 2.920 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccco1 ZINC000735419327 1427068928 /nfs/dbraw/zinc/06/89/28/1427068928.db2.gz RSYFSAFVLOLJHV-ZDUSSCGKSA-N -1 1 337.383 2.778 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826176983 1427089901 /nfs/dbraw/zinc/08/99/01/1427089901.db2.gz MMVUTGXXWIJLLX-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826176983 1427089903 /nfs/dbraw/zinc/08/99/03/1427089903.db2.gz MMVUTGXXWIJLLX-GFCCVEGCSA-N -1 1 334.383 2.598 20 30 EFEDMM FC(F)C(Cc1ccccc1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826369702 1427139138 /nfs/dbraw/zinc/13/91/38/1427139138.db2.gz NKVXZCYVWSIZOO-UHFFFAOYSA-N -1 1 342.353 2.820 20 30 EFEDMM C#CCCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735374414 1427182011 /nfs/dbraw/zinc/18/20/11/1427182011.db2.gz INOOYBVKKSPONS-UHFFFAOYSA-N -1 1 348.362 2.626 20 30 EFEDMM C=CCC[C@@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894501 1427184645 /nfs/dbraw/zinc/18/46/45/1427184645.db2.gz RPTGPXYRUNMLJV-CZUORRHYSA-N -1 1 341.415 2.733 20 30 EFEDMM Fc1ccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000822765964 1427316491 /nfs/dbraw/zinc/31/64/91/1427316491.db2.gz COLHQHYKNUVWTQ-UHFFFAOYSA-N -1 1 336.330 2.809 20 30 EFEDMM CSc1ccc(C(C)N=Nc2oc(C)nc2-c2nnn[n-]2)cc1F ZINC000737192918 1427366459 /nfs/dbraw/zinc/36/64/59/1427366459.db2.gz MFCWJNTVUSRTQU-UHFFFAOYSA-N -1 1 347.379 2.860 20 30 EFEDMM C=CCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823924923 1427468058 /nfs/dbraw/zinc/46/80/58/1427468058.db2.gz AGPHMCSNBXKVHM-UHFFFAOYSA-N -1 1 334.383 2.519 20 30 EFEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=C1COc2ccc(F)cc21 ZINC000823498211 1427739628 /nfs/dbraw/zinc/73/96/28/1427739628.db2.gz HEQFQSAFEUBACR-PEZBUJJGSA-N -1 1 348.337 2.981 20 30 EFEDMM Clc1ccc2ncc(C=NNc3ccc(-c4nnn[n-]4)cc3)n2c1 ZINC000737572745 1427870557 /nfs/dbraw/zinc/87/05/57/1427870557.db2.gz CKOCIWYVZGFRHN-UHFFFAOYSA-N -1 1 338.762 2.614 20 30 EFEDMM C=CCCOCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823899160 1427889469 /nfs/dbraw/zinc/88/94/69/1427889469.db2.gz NZGNGODYMRDGDX-UHFFFAOYSA-N -1 1 327.310 2.890 20 30 EFEDMM CC(=NNc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963224 1427997608 /nfs/dbraw/zinc/99/76/08/1427997608.db2.gz YLUJRDMHHSMERN-UHFFFAOYSA-N -1 1 336.334 2.718 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1 ZINC000823953579 1428056630 /nfs/dbraw/zinc/05/66/30/1428056630.db2.gz HUDKSOHOHLNOQC-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000823953579 1428056637 /nfs/dbraw/zinc/05/66/37/1428056637.db2.gz HUDKSOHOHLNOQC-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM C=CCCCCCN(C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823894389 1428086767 /nfs/dbraw/zinc/08/67/67/1428086767.db2.gz PBXJFADELWNUQU-UHFFFAOYSA-N -1 1 349.460 2.542 20 30 EFEDMM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000822837905 1429852979 /nfs/dbraw/zinc/85/29/79/1429852979.db2.gz XWSRGXSNDLIRGU-CXUHLZMHSA-N -1 1 327.347 2.951 20 30 EFEDMM Cc1cccn2c(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)cnc12 ZINC000737436052 1429927865 /nfs/dbraw/zinc/92/78/65/1429927865.db2.gz QSULMLVCPSNDHD-FPLPWBNLSA-N -1 1 330.351 2.719 20 30 EFEDMM Fc1cccc2c1CCC2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826377882 1429932664 /nfs/dbraw/zinc/93/26/64/1429932664.db2.gz KQYQAHBPIZKZTE-UHFFFAOYSA-N -1 1 343.753 2.817 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(O)c1 ZINC000821769751 1429964756 /nfs/dbraw/zinc/96/47/56/1429964756.db2.gz KMTIQASMENDUON-UTCJRWHESA-N -1 1 328.353 2.539 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(O)c1 ZINC000821769751 1429964759 /nfs/dbraw/zinc/96/47/59/1429964759.db2.gz KMTIQASMENDUON-UTCJRWHESA-N -1 1 328.353 2.539 20 30 EFEDMM C=CCCOCCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823899088 1429990335 /nfs/dbraw/zinc/99/03/35/1429990335.db2.gz KVERUWSVIYZENL-UHFFFAOYSA-N -1 1 333.367 2.707 20 30 EFEDMM C=C(C)Cn1cc(-c2nnn[n-]2)c(=O)c2cc(Br)ccc21 ZINC000819723085 1430086862 /nfs/dbraw/zinc/08/68/62/1430086862.db2.gz XVVIQACHFSYCBU-UHFFFAOYSA-N -1 1 346.188 2.520 20 30 EFEDMM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000819765368 1430098496 /nfs/dbraw/zinc/09/84/96/1430098496.db2.gz PBNXVDOTFPJYQL-FLIBITNWSA-N -1 1 348.341 2.919 20 30 EFEDMM N#Cc1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737719410 1430188944 /nfs/dbraw/zinc/18/89/44/1430188944.db2.gz UGBBTJPHHKYQLR-UHFFFAOYSA-N -1 1 346.394 2.786 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C#N)c(F)c2)cc1-c1nnn[n-]1 ZINC000826190909 1430244966 /nfs/dbraw/zinc/24/49/66/1430244966.db2.gz QNRRIOXNPYKZCT-KXFIGUGUSA-N -1 1 349.325 2.782 20 30 EFEDMM CC(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000824371802 1441422187 /nfs/dbraw/zinc/42/21/87/1441422187.db2.gz SUNRWVKFGAFVAV-UTCJRWHESA-N -1 1 326.335 2.679 20 30 EFEDMM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000819763698 1441426893 /nfs/dbraw/zinc/42/68/93/1441426893.db2.gz AKHREBGBPGASTM-FLIBITNWSA-N -1 1 348.341 2.919 20 30 EFEDMM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)CCc2ccccc21 ZINC000738289105 1441435212 /nfs/dbraw/zinc/43/52/12/1441435212.db2.gz GPQQQEMLOCUNGL-LCYFTJDESA-N -1 1 342.362 2.727 20 30 EFEDMM Cc1c(Cl)cnc(NCc2ccc(-c3nnn[n-]3)cc2F)c1C#N ZINC000826240267 1441487861 /nfs/dbraw/zinc/48/78/61/1441487861.db2.gz KSZHEQANQDQRND-UHFFFAOYSA-N -1 1 343.753 2.846 20 30 EFEDMM C#C[C@@H](C)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819688255 1441512579 /nfs/dbraw/zinc/51/25/79/1441512579.db2.gz DXJVNWNQZYYLNR-CYBMUJFWSA-N -1 1 348.362 2.624 20 30 EFEDMM CCc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736682164 1441540734 /nfs/dbraw/zinc/54/07/34/1441540734.db2.gz HHWOTOPDBJQWEK-UHFFFAOYSA-N -1 1 346.394 2.872 20 30 EFEDMM CCCCCCC[C@H](C)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825271048 1441558852 /nfs/dbraw/zinc/55/88/52/1441558852.db2.gz FYGDIJQPODFSRC-LBPRGKRZSA-N -1 1 348.451 2.818 20 30 EFEDMM Fc1ccc2c(c1)CCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822786107 1441594170 /nfs/dbraw/zinc/59/41/70/1441594170.db2.gz DKQPDQLJTQTHBN-UHFFFAOYSA-N -1 1 336.374 2.836 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716150 1441598333 /nfs/dbraw/zinc/59/83/33/1441598333.db2.gz LPBOWTRHMDRKBU-GOEBONIOSA-N -1 1 348.341 2.620 20 30 EFEDMM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821589539 1441681229 /nfs/dbraw/zinc/68/12/29/1441681229.db2.gz SAIGDJRUVRCKOB-VQHVLOKHSA-N -1 1 325.397 2.890 20 30 EFEDMM N#Cc1ccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000826384684 1441695344 /nfs/dbraw/zinc/69/53/44/1441695344.db2.gz FMHHCKFUCWRQHD-UHFFFAOYSA-N -1 1 336.424 2.964 20 30 EFEDMM N#Cc1ccc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000826384684 1441695350 /nfs/dbraw/zinc/69/53/50/1441695350.db2.gz FMHHCKFUCWRQHD-UHFFFAOYSA-N -1 1 336.424 2.964 20 30 EFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc(F)cn1 ZINC000823962085 1441707081 /nfs/dbraw/zinc/70/70/81/1441707081.db2.gz DSWUKPOIKWHHMY-UHFFFAOYSA-N -1 1 344.354 2.522 20 30 EFEDMM C=CCC(CC=C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000819733742 1441761342 /nfs/dbraw/zinc/76/13/42/1441761342.db2.gz AZZQPTGMRKGQOD-UHFFFAOYSA-N -1 1 328.372 2.939 20 30 EFEDMM N#Cc1cc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822822761 1441792793 /nfs/dbraw/zinc/79/27/93/1441792793.db2.gz DWSKXRRLRGZPGY-DYVFJYSZSA-N -1 1 344.378 2.556 20 30 EFEDMM C=CC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735410053 1441845706 /nfs/dbraw/zinc/84/57/06/1441845706.db2.gz SIHQZRUBETYXAS-MRVPVSSYSA-N -1 1 338.318 2.554 20 30 EFEDMM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826498047 1441863223 /nfs/dbraw/zinc/86/32/23/1441863223.db2.gz FMOPVGNQQXJJFP-UHFFFAOYSA-N -1 1 349.763 2.936 20 30 EFEDMM C[C@@H](CSc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccccc1 ZINC000736056267 1441877746 /nfs/dbraw/zinc/87/77/46/1441877746.db2.gz MPVRNVKKGXAYJY-JTQLQIEISA-N -1 1 337.412 2.611 20 30 EFEDMM N#Cc1c(-c2nnn[n-]2)ncn1Cc1ccccc1Oc1ccccc1 ZINC000826383094 1441921069 /nfs/dbraw/zinc/92/10/69/1441921069.db2.gz JZKYEBGQXNPKDE-UHFFFAOYSA-N -1 1 343.350 2.775 20 30 EFEDMM CCc1ccc(C=NOCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825704265 1441936329 /nfs/dbraw/zinc/93/63/29/1441936329.db2.gz FNKWCVZZKPZCKT-UHFFFAOYSA-N -1 1 337.383 2.988 20 30 EFEDMM N#Cc1c(-c2nnn[n-]2)ncn1Cc1sc2ccccc2c1Cl ZINC000826382921 1441994873 /nfs/dbraw/zinc/99/48/73/1441994873.db2.gz AVZMQADJEXLHSI-UHFFFAOYSA-N -1 1 341.787 2.851 20 30 EFEDMM O=C1C(=Cc2cccc3nccn32)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826475420 1442060319 /nfs/dbraw/zinc/06/03/19/1442060319.db2.gz FVNTXJIOGAWUAZ-ACCUITESSA-N -1 1 342.362 2.727 20 30 EFEDMM CC(C)(C)CN(CCC#N)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819914598 1442077303 /nfs/dbraw/zinc/07/73/03/1442077303.db2.gz YQPAJRWVEACHLR-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CC(C)(C)CN(CCC#N)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819914598 1442077309 /nfs/dbraw/zinc/07/73/09/1442077309.db2.gz YQPAJRWVEACHLR-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736772236 1442085459 /nfs/dbraw/zinc/08/54/59/1442085459.db2.gz CTMUQEFCUOTMBX-ONNFQVAWSA-N -1 1 337.358 2.968 20 30 EFEDMM CC(C)(C#N)CCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824058866 1442100868 /nfs/dbraw/zinc/10/08/68/1442100868.db2.gz GHODMHRAQZPSBF-UHFFFAOYSA-N -1 1 345.428 2.583 20 30 EFEDMM C=CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823894616 1442111203 /nfs/dbraw/zinc/11/12/03/1442111203.db2.gz VCMSGCICFBNBJD-CHWSQXEVSA-N -1 1 330.388 2.922 20 30 EFEDMM C[C@H](C#N)CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735506418 1442120115 /nfs/dbraw/zinc/12/01/15/1442120115.db2.gz WKYARJSEPMSULV-GFCCVEGCSA-N -1 1 348.366 2.548 20 30 EFEDMM Cc1ccsc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737441617 1442127929 /nfs/dbraw/zinc/12/79/29/1442127929.db2.gz IAJJDSQHUXHYEC-ONEGZZNKSA-N -1 1 336.380 2.780 20 30 EFEDMM Cc1c(C(=O)C=Cc2cccc(C#N)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202988 1442176787 /nfs/dbraw/zinc/17/67/87/1442176787.db2.gz QISQZINKWNXCRO-BQYQJAHWSA-N -1 1 344.378 2.691 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826186890 1442203528 /nfs/dbraw/zinc/20/35/28/1442203528.db2.gz OGJPVKNGLQRXNS-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1ccc(C#N)cc1CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826186890 1442203531 /nfs/dbraw/zinc/20/35/31/1442203531.db2.gz OGJPVKNGLQRXNS-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM Cc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737318103 1442299058 /nfs/dbraw/zinc/29/90/58/1442299058.db2.gz SBSBGZKVQCYBMJ-UHFFFAOYSA-N -1 1 346.394 2.963 20 30 EFEDMM CC#CCOC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819766066 1442301591 /nfs/dbraw/zinc/30/15/91/1442301591.db2.gz UVPRAQDGEICKTD-UHFFFAOYSA-N -1 1 334.335 2.839 20 30 EFEDMM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820518418 1442328951 /nfs/dbraw/zinc/32/89/51/1442328951.db2.gz DHHGSAYTEWFBIN-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM Cc1cc(O)cc2c1C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)O2 ZINC000826271959 1442352438 /nfs/dbraw/zinc/35/24/38/1442352438.db2.gz OZBDZXKBEOHGJY-NSIKDUERSA-N -1 1 338.298 2.636 20 30 EFEDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c(C#N)c1 ZINC000825480638 1442353294 /nfs/dbraw/zinc/35/32/94/1442353294.db2.gz DTUJUPKZFWEIAC-UHFFFAOYSA-N -1 1 349.398 2.791 20 30 EFEDMM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823838257 1442460056 /nfs/dbraw/zinc/46/00/56/1442460056.db2.gz MXKPIBAMDVGZDP-UHFFFAOYSA-N -1 1 327.388 2.786 20 30 EFEDMM C#CCCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735375354 1443213393 /nfs/dbraw/zinc/21/33/93/1443213393.db2.gz YJHRTBQMFGETOG-UHFFFAOYSA-N -1 1 348.362 2.626 20 30 EFEDMM CCn1nc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000821566503 1443240664 /nfs/dbraw/zinc/24/06/64/1443240664.db2.gz HJWROXHRWCFEQP-WAYWQWQTSA-N -1 1 328.401 2.658 20 30 EFEDMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1(C)C ZINC000735679567 1443256406 /nfs/dbraw/zinc/25/64/06/1443256406.db2.gz KQMHVLZTUACNEB-HUUCEWRRSA-N -1 1 336.399 2.915 20 30 EFEDMM N#Cc1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826386179 1443257201 /nfs/dbraw/zinc/25/72/01/1443257201.db2.gz SLLIIAZKCJUEPT-AWEZNQCLSA-N -1 1 341.758 2.504 20 30 EFEDMM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820374860 1443335354 /nfs/dbraw/zinc/33/53/54/1443335354.db2.gz RVBHSCHWSAHWHH-LLVKDONJSA-N -1 1 333.355 2.621 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000826250052 1443390803 /nfs/dbraw/zinc/39/08/03/1443390803.db2.gz INDNJDXKQNWDDR-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM N#Cc1cc(NC(=O)c2cccc(F)c2Cl)ccc1-c1nnn[n-]1 ZINC000822822689 1443423188 /nfs/dbraw/zinc/42/31/88/1443423188.db2.gz BOVKLDHBYSHDIG-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM C#Cc1cccc(N(CC)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391146 1443449764 /nfs/dbraw/zinc/44/97/64/1443449764.db2.gz NFTIZLKZEWUGGO-UHFFFAOYSA-N -1 1 345.406 2.834 20 30 EFEDMM CC(C)(C)c1ncc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819965835 1443450672 /nfs/dbraw/zinc/45/06/72/1443450672.db2.gz OSDKLHYOTSJYEF-UHFFFAOYSA-N -1 1 341.444 2.744 20 30 EFEDMM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000820842851 1443488825 /nfs/dbraw/zinc/48/88/25/1443488825.db2.gz QKORJTVQOPYTBE-AWEZNQCLSA-N -1 1 335.371 2.555 20 30 EFEDMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1(C)C ZINC000735680825 1443616144 /nfs/dbraw/zinc/61/61/44/1443616144.db2.gz ZQJJEPBXWMOSJE-CABCVRRESA-N -1 1 336.399 2.915 20 30 EFEDMM N#C[C@H](COC(=O)c1cc(-c2nnn[n-]2)cs1)Cc1cccs1 ZINC000826380212 1443646199 /nfs/dbraw/zinc/64/61/99/1443646199.db2.gz RHXQOAIYKARUCU-SECBINFHSA-N -1 1 345.409 2.529 20 30 EFEDMM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820495692 1443716136 /nfs/dbraw/zinc/71/61/36/1443716136.db2.gz IZYDUTSYNNASNC-ZDUSSCGKSA-N -1 1 347.378 2.975 20 30 EFEDMM C[C@@H](C#N)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819857232 1443723380 /nfs/dbraw/zinc/72/33/80/1443723380.db2.gz PRJJBFWPALHQOM-LBPRGKRZSA-N -1 1 333.351 2.850 20 30 EFEDMM N#CC1(c2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380366 1443739924 /nfs/dbraw/zinc/73/99/24/1443739924.db2.gz XWJPOCSGQLHETM-UHFFFAOYSA-N -1 1 330.351 2.674 20 30 EFEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(F)cc(F)cc21 ZINC000823504762 1443754961 /nfs/dbraw/zinc/75/49/61/1443754961.db2.gz UKRSTONKEMNBHL-LREOWRDNSA-N -1 1 346.318 2.865 20 30 EFEDMM CC(CCc1ccco1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824414088 1443759206 /nfs/dbraw/zinc/75/92/06/1443759206.db2.gz TYAOGJXPJYQJQX-UHFFFAOYSA-N -1 1 331.767 2.929 20 30 EFEDMM C=CCCCCCN(C)[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735407897 1443760767 /nfs/dbraw/zinc/76/07/67/1443760767.db2.gz AOXCJGMWDFEEEA-CQSZACIVSA-N -1 1 342.447 2.872 20 30 EFEDMM N#Cc1ccc(NC(=O)C=CSc2ccccc2)cc1-c1nnn[n-]1 ZINC000737716367 1443781799 /nfs/dbraw/zinc/78/17/99/1443781799.db2.gz QCGUSXZMLZMOOX-HJWRWDBZSA-N -1 1 348.391 2.983 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000735420290 1443821787 /nfs/dbraw/zinc/82/17/87/1443821787.db2.gz OFYPPCYNFKTGGW-CYBMUJFWSA-N -1 1 343.431 2.585 20 30 EFEDMM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401089 1443829646 /nfs/dbraw/zinc/82/96/46/1443829646.db2.gz PEVYYFBMGWUBRG-ORCRQEGFSA-N -1 1 336.326 2.837 20 30 EFEDMM C#CC[C@H](NCc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823838236 1443891004 /nfs/dbraw/zinc/89/10/04/1443891004.db2.gz MOMCYLAHIUQYKK-KRWDZBQOSA-N -1 1 333.395 2.730 20 30 EFEDMM O=[N+]([O-])c1ccccc1C=CC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823648292 1444003528 /nfs/dbraw/zinc/00/35/28/1444003528.db2.gz TXQRENGRESKKDH-OULJEYJISA-N -1 1 349.354 2.564 20 30 EFEDMM O=[N+]([O-])c1ccc(Cl)cc1C=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000738361135 1446105365 /nfs/dbraw/zinc/10/53/65/1446105365.db2.gz VDDGHHPSWNTSAC-UHFFFAOYSA-N -1 1 343.734 2.874 20 30 EFEDMM N#Cc1ccc(OCCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822833886 1446151367 /nfs/dbraw/zinc/15/13/67/1446151367.db2.gz ZEFTZHJMJBHHKG-UHFFFAOYSA-N -1 1 340.774 2.883 20 30 EFEDMM C#CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837274 1446199300 /nfs/dbraw/zinc/19/93/00/1446199300.db2.gz ADFAQFFSMFBNHS-INIZCTEOSA-N -1 1 332.367 2.753 20 30 EFEDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)cs1 ZINC000819976044 1446241480 /nfs/dbraw/zinc/24/14/80/1446241480.db2.gz JCTRNZWRAQMWEQ-UHFFFAOYSA-N -1 1 341.400 2.609 20 30 EFEDMM C=C(C)CN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735399195 1446267275 /nfs/dbraw/zinc/26/72/75/1446267275.db2.gz QITMPZHLCZVDHP-UHFFFAOYSA-N -1 1 330.392 2.695 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CC(C)C ZINC000823910001 1446337260 /nfs/dbraw/zinc/33/72/60/1446337260.db2.gz VPTJEIPKPAWQBM-AWEZNQCLSA-N -1 1 342.447 2.999 20 30 EFEDMM COc1ccccc1C=CC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821890324 1446354306 /nfs/dbraw/zinc/35/43/06/1446354306.db2.gz LZHPQVDRFWBXHY-UKQABGIESA-N -1 1 334.383 2.664 20 30 EFEDMM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819817356 1446354817 /nfs/dbraw/zinc/35/48/17/1446354817.db2.gz BUBMUOIUVRIWDD-ALCCZGGFSA-N -1 1 339.380 2.783 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1O ZINC000823954087 1446455617 /nfs/dbraw/zinc/45/56/17/1446455617.db2.gz YRGWKSDBDFTBHH-UHFFFAOYSA-N -1 1 347.741 2.596 20 30 EFEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCC#Cc1ccccc1 ZINC000822936201 1446494395 /nfs/dbraw/zinc/49/43/95/1446494395.db2.gz SRRBVMJSOODOFU-BUHFOSPRSA-N -1 1 344.374 2.865 20 30 EFEDMM C(=NNc1nccc2sccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000819718484 1446501515 /nfs/dbraw/zinc/50/15/15/1446501515.db2.gz JFKVCEUVNPFFOK-UHFFFAOYSA-N -1 1 327.398 2.984 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000735419343 1446575426 /nfs/dbraw/zinc/57/54/26/1446575426.db2.gz RYOOXQJWUVZTHP-LLVKDONJSA-N -1 1 347.419 2.687 20 30 EFEDMM O=C1c2cccc(O)c2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475273 1446627818 /nfs/dbraw/zinc/62/78/18/1446627818.db2.gz ARUFJHOGYDTRNB-FLIBITNWSA-N -1 1 336.326 2.924 20 30 EFEDMM C#CCCCCCC(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000823840766 1446645685 /nfs/dbraw/zinc/64/56/85/1446645685.db2.gz FKLJYWYKTXPIDR-AWEZNQCLSA-N -1 1 342.399 2.761 20 30 EFEDMM O=C1C(=Cc2cnn3ccccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505119 1446659170 /nfs/dbraw/zinc/65/91/70/1446659170.db2.gz XJCXVGAWPJAABA-RAXLEYEMSA-N -1 1 342.362 2.727 20 30 EFEDMM C[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000824730937 1446669698 /nfs/dbraw/zinc/66/96/98/1446669698.db2.gz RHWYEUYEJQEOKL-SECBINFHSA-N -1 1 325.353 2.718 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc3c(c2)CCO3)cc1-c1nnn[n-]1 ZINC000737080506 1446760665 /nfs/dbraw/zinc/76/06/65/1446760665.db2.gz BXPFHGIDKQQMMP-GORDUTHDSA-N -1 1 348.362 2.706 20 30 EFEDMM Cc1nc(C)c(C#N)c(SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000737472287 1446770091 /nfs/dbraw/zinc/77/00/91/1446770091.db2.gz YQOCHDRCGMVKQY-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM COc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826219719 1446792828 /nfs/dbraw/zinc/79/28/28/1446792828.db2.gz OGNXPPXFLZDQSB-UHFFFAOYSA-N -1 1 328.763 2.975 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)C(=O)OCCCC ZINC000735420448 1446793699 /nfs/dbraw/zinc/79/36/99/1446793699.db2.gz PNXKEGQTSWWZIJ-CQSZACIVSA-N -1 1 343.431 2.587 20 30 EFEDMM Cc1cn(Cc2ccc(C#N)cc2Br)cc1-c1nnn[n-]1 ZINC000826316893 1446823571 /nfs/dbraw/zinc/82/35/71/1446823571.db2.gz DBYZRJFYTOTHDB-UHFFFAOYSA-N -1 1 343.188 2.659 20 30 EFEDMM C=CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000735402450 1446864876 /nfs/dbraw/zinc/86/48/76/1446864876.db2.gz BCYZPUDWWCMHOP-UHFFFAOYSA-N -1 1 343.435 2.853 20 30 EFEDMM C#CCOc1ccc(F)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000819709792 1446906263 /nfs/dbraw/zinc/90/62/63/1446906263.db2.gz PJKIJTDWOHSEHK-UHFFFAOYSA-N -1 1 329.360 2.691 20 30 EFEDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1F ZINC000821413280 1446913994 /nfs/dbraw/zinc/91/39/94/1446913994.db2.gz ZBBIEVDSKWXQMB-UHFFFAOYSA-N -1 1 338.346 2.888 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccnc(Cl)c1 ZINC000826400397 1447013826 /nfs/dbraw/zinc/01/38/26/1447013826.db2.gz YIICQJQKTYDCAS-ONEGZZNKSA-N -1 1 329.722 2.950 20 30 EFEDMM C=C(C)CCOC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000819723013 1447023158 /nfs/dbraw/zinc/02/31/58/1447023158.db2.gz UMIBBQBMXFVWCQ-HNNXBMFYSA-N -1 1 330.388 2.780 20 30 EFEDMM CCc1cnccc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000825736267 1447145656 /nfs/dbraw/zinc/14/56/56/1447145656.db2.gz YHIJINXWORDPOA-UHFFFAOYSA-N -1 1 340.391 2.772 20 30 EFEDMM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000826184417 1447184753 /nfs/dbraw/zinc/18/47/53/1447184753.db2.gz WEXUDTZFCJWPNH-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM COc1ccc(-c2nnn[n-]2)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000826184417 1447184758 /nfs/dbraw/zinc/18/47/58/1447184758.db2.gz WEXUDTZFCJWPNH-LBPRGKRZSA-N -1 1 334.383 2.598 20 30 EFEDMM C=CCOCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819751210 1447202328 /nfs/dbraw/zinc/20/23/28/1447202328.db2.gz SMSVLEWZIFQHND-AWEZNQCLSA-N -1 1 343.431 2.759 20 30 EFEDMM N#Cc1cc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccn1 ZINC000826383548 1447274741 /nfs/dbraw/zinc/27/47/41/1447274741.db2.gz GIAOPNCJTIAVGO-UHFFFAOYSA-N -1 1 345.288 2.764 20 30 EFEDMM N#C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000826380185 1447326197 /nfs/dbraw/zinc/32/61/97/1447326197.db2.gz QIKNTTWTNCZXNH-BLIJAFNYSA-N -1 1 337.383 2.896 20 30 EFEDMM C[C@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612276 1449183498 /nfs/dbraw/zinc/18/34/98/1449183498.db2.gz LWPZCTWIUULPLQ-JTQLQIEISA-N -1 1 340.337 2.867 20 30 EFEDMM CCN(CC#N)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825394442 1449200814 /nfs/dbraw/zinc/20/08/14/1449200814.db2.gz CZKPYUQDFJEEPL-UHFFFAOYSA-N -1 1 348.366 2.645 20 30 EFEDMM C=C(C)[C@@H](CO)Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000823874759 1449406695 /nfs/dbraw/zinc/40/66/95/1449406695.db2.gz YQFBAKMZUMPBNL-SECBINFHSA-N -1 1 345.350 2.618 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(F)c1 ZINC000735551743 1449413958 /nfs/dbraw/zinc/41/39/58/1449413958.db2.gz SXCWSMXPGIGPTO-SNVBAGLBSA-N -1 1 336.330 2.620 20 30 EFEDMM C#CCCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823844624 1449474384 /nfs/dbraw/zinc/47/43/84/1449474384.db2.gz DOTCDWGXLMABSV-UHFFFAOYSA-N -1 1 334.335 2.839 20 30 EFEDMM N#Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC000737719118 1449591880 /nfs/dbraw/zinc/59/18/80/1449591880.db2.gz OWWZDPBUSINLLY-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM COc1ccc2c(c1)OC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821849962 1449723015 /nfs/dbraw/zinc/72/30/15/1449723015.db2.gz UHUKAWGUUDBJMT-CHHVJCJISA-N -1 1 338.298 2.631 20 30 EFEDMM Cc1ccc(N(CCC#N)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822240874 1449883686 /nfs/dbraw/zinc/88/36/86/1449883686.db2.gz CIKCTIBESKKIMU-UHFFFAOYSA-N -1 1 346.394 2.665 20 30 EFEDMM C#CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838792 1449980758 /nfs/dbraw/zinc/98/07/58/1449980758.db2.gz UXHQWPRKHKZUCH-HNNXBMFYSA-N -1 1 334.339 2.951 20 30 EFEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(F)ccc(F)c21 ZINC000826475896 1450086286 /nfs/dbraw/zinc/08/62/86/1450086286.db2.gz VLMBVAKYSUSQGR-CLTKARDFSA-N -1 1 346.318 2.865 20 30 EFEDMM C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894597 1450140061 /nfs/dbraw/zinc/14/00/61/1450140061.db2.gz UNTKDRFGIHMGJK-STQMWFEESA-N -1 1 328.420 2.972 20 30 EFEDMM Cc1nc(C)c(C#N)c(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822427247 1450187179 /nfs/dbraw/zinc/18/71/79/1450187179.db2.gz GMNXAXCYEXICAH-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(F)cccc21 ZINC000823504722 1450233837 /nfs/dbraw/zinc/23/38/37/1450233837.db2.gz SZTSUTLRPTWWCX-YWEYNIOJSA-N -1 1 328.328 2.726 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(SCCCCC(F)(F)F)nc1N ZINC000826383722 1450279860 /nfs/dbraw/zinc/27/98/60/1450279860.db2.gz NHBRAWOCFULFKQ-UHFFFAOYSA-N -1 1 343.338 2.540 20 30 EFEDMM C#CCOc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735381301 1450314280 /nfs/dbraw/zinc/31/42/80/1450314280.db2.gz SQYMBHQOPOFJFF-UHFFFAOYSA-N -1 1 334.339 2.523 20 30 EFEDMM COc1cccc2c1CC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826217857 1450365295 /nfs/dbraw/zinc/36/52/95/1450365295.db2.gz FRQUJYDRCFJFBK-XFFZJAGNSA-N -1 1 336.326 2.837 20 30 EFEDMM C[C@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC000824779887 1450380166 /nfs/dbraw/zinc/38/01/66/1450380166.db2.gz XVBJTNXBKUDZLR-MRXNPFEDSA-N -1 1 348.357 2.594 20 30 EFEDMM CCCCCCCCCC=CC(=O)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000736448072 1450423061 /nfs/dbraw/zinc/42/30/61/1450423061.db2.gz JLJVKDAXWKAVPR-WOLCWHLNSA-N -1 1 335.452 2.797 20 30 EFEDMM N#Cc1c(F)cccc1OCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000826383351 1450437408 /nfs/dbraw/zinc/43/74/08/1450437408.db2.gz WPNAAVINGINRLZ-UHFFFAOYSA-N -1 1 339.330 2.725 20 30 EFEDMM O=C(C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401278 1450441579 /nfs/dbraw/zinc/44/15/79/1450441579.db2.gz UMIKXLQUSODWOB-KTAJNNJTSA-N -1 1 329.722 2.950 20 30 EFEDMM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962922 1450494537 /nfs/dbraw/zinc/49/45/37/1450494537.db2.gz RXQGSJFYOLNWGP-UHFFFAOYSA-N -1 1 329.345 2.673 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2nc(Cl)cs2)o1 ZINC000824352435 1450522314 /nfs/dbraw/zinc/52/23/14/1450522314.db2.gz DCZFYSNJTLTFQC-UHFFFAOYSA-N -1 1 338.784 2.534 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C)c(Br)c2)c(=O)o1 ZINC000255330582 714677542 /nfs/dbraw/zinc/67/75/42/714677542.db2.gz ZYYCMMZKGALKKD-YVACAVLKSA-N -1 1 349.180 2.986 20 30 EFEDMM N#CCCN(Cn1[n-]c(-c2ccccn2)nc1=S)CC(F)(F)F ZINC000176047508 715092783 /nfs/dbraw/zinc/09/27/83/715092783.db2.gz DUMCPFMSZDBPBN-UHFFFAOYSA-N -1 1 342.350 2.738 20 30 EFEDMM C[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000022837042 715237256 /nfs/dbraw/zinc/23/72/56/715237256.db2.gz KKAXVOHQMZWJPK-NSHDSACASA-N -1 1 348.355 2.695 20 30 EFEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000313492531 715432753 /nfs/dbraw/zinc/43/27/53/715432753.db2.gz CGNAYNMGHDXQPH-UHFFFAOYSA-N -1 1 339.642 2.742 20 30 EFEDMM C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000975907081 716039671 /nfs/dbraw/zinc/03/96/71/716039671.db2.gz PISYZKUONLPRMZ-AUUYWEPGSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(-c3cccnc3)c2)c(=O)o1 ZINC000255668941 717377662 /nfs/dbraw/zinc/37/76/62/717377662.db2.gz YWAXQNBITZKLPB-FQQSSWHASA-N -1 1 333.343 2.977 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(F)c2)c(=O)o1 ZINC000255905715 718341715 /nfs/dbraw/zinc/34/17/15/718341715.db2.gz UPZULCNWSKEOLI-CTGSTSKSSA-N -1 1 340.253 2.655 20 30 EFEDMM C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001025224726 718439324 /nfs/dbraw/zinc/43/93/24/718439324.db2.gz UTSBRUKAHREURM-CABCVRRESA-N -1 1 349.862 2.999 20 30 EFEDMM CCCCCCCS(=O)(=O)[N-]c1cccc(CC(=O)OC)n1 ZINC000194820230 721065488 /nfs/dbraw/zinc/06/54/88/721065488.db2.gz YONKLIMCZLAMAG-UHFFFAOYSA-N -1 1 328.434 2.509 20 30 EFEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000160149373 723154957 /nfs/dbraw/zinc/15/49/57/723154957.db2.gz MHLWZHQDODOTPI-LBPRGKRZSA-N -1 1 329.381 2.675 20 30 EFEDMM C=C1CC(c2noc(-c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)n2)C1 ZINC000896884207 723568240 /nfs/dbraw/zinc/56/82/40/723568240.db2.gz KXOWAMNOSSBTFK-UHFFFAOYSA-N -1 1 337.401 2.840 20 30 EFEDMM C=C1CC(c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)C1 ZINC000896885547 723568400 /nfs/dbraw/zinc/56/84/00/723568400.db2.gz ZSARKYCVQOKRSJ-UHFFFAOYSA-N -1 1 335.367 2.960 20 30 EFEDMM CCCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)cc1 ZINC000731157459 726813553 /nfs/dbraw/zinc/81/35/53/726813553.db2.gz LJXLYAZKOUQUQU-UHFFFAOYSA-N -1 1 330.779 2.702 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1C ZINC000731313754 726840180 /nfs/dbraw/zinc/84/01/80/726840180.db2.gz JMQSRQUGSANCCS-UHFFFAOYSA-N -1 1 331.372 2.597 20 30 EFEDMM Cc1ccccc1C(=NN=C1[N-]S(=O)(=O)c2ccccc21)C1CC1 ZINC000731926274 726957683 /nfs/dbraw/zinc/95/76/83/726957683.db2.gz UVLHDLUYPMHZFN-UHFFFAOYSA-N -1 1 339.420 2.848 20 30 EFEDMM C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)N(C)CCC#N ZINC000909862604 727392678 /nfs/dbraw/zinc/39/26/78/727392678.db2.gz HYUZTCVCEWEXBT-MRVPVSSYSA-N -1 1 345.182 2.616 20 30 EFEDMM O=[N+]([O-])c1cc(Cl)cc(C=NNc2nccnc2Cl)c1[O-] ZINC000733079804 727662994 /nfs/dbraw/zinc/66/29/94/727662994.db2.gz UAZHUOURNDHINK-UHFFFAOYSA-N -1 1 328.115 2.843 20 30 EFEDMM COc1ccc(Br)cc1C=NNc1nc(C)cc(=O)[n-]1 ZINC000916241474 727668460 /nfs/dbraw/zinc/66/84/60/727668460.db2.gz DMNYEKHBZVXTEL-UHFFFAOYSA-N -1 1 337.177 2.708 20 30 EFEDMM COc1cc(OC)c(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1Cl ZINC000916241994 727670472 /nfs/dbraw/zinc/67/04/72/727670472.db2.gz UKRSMWXMZXIWMF-UHFFFAOYSA-N -1 1 336.779 2.997 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154237493 727748730 /nfs/dbraw/zinc/74/87/30/727748730.db2.gz VNNOUVJWCRPCDC-UHFFFAOYSA-N -1 1 334.328 2.824 20 30 EFEDMM N#Cc1cccc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000917113529 727770053 /nfs/dbraw/zinc/77/00/53/727770053.db2.gz BEIKQSIYHBJNGX-UHFFFAOYSA-N -1 1 334.335 2.671 20 30 EFEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2cnccn2)n1 ZINC000172667824 728601187 /nfs/dbraw/zinc/60/11/87/728601187.db2.gz WCQWWXBHTPVPKA-GFCCVEGCSA-N -1 1 349.375 2.561 20 30 EFEDMM C#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000174446000 728665420 /nfs/dbraw/zinc/66/54/20/728665420.db2.gz PHCAAPTXYHMPII-AWEZNQCLSA-N -1 1 343.404 2.974 20 30 EFEDMM CCCCCCCCN1C(=O)C(=CN[C@H](C)CC)C(=O)[N-]C1=S ZINC000920976778 729250221 /nfs/dbraw/zinc/25/02/21/729250221.db2.gz WHIQXMDMZAHFGP-MNWMYKRDSA-N -1 1 339.505 2.862 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(Cl)c(F)c2)c2ccccc21 ZINC000921257672 729279379 /nfs/dbraw/zinc/27/93/79/729279379.db2.gz NJRSATOFROJPCY-UHFFFAOYSA-N -1 1 337.763 2.552 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000921295351 729284736 /nfs/dbraw/zinc/28/47/36/729284736.db2.gz LYZVMZVENKGPIQ-UHFFFAOYSA-N -1 1 330.365 2.939 20 30 EFEDMM C#CCCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000179645455 729603105 /nfs/dbraw/zinc/60/31/05/729603105.db2.gz BSHIBTBGAIDCOP-UHFFFAOYSA-N -1 1 344.289 2.646 20 30 EFEDMM N#C[C@H](C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001601047767 970923100 /nfs/dbraw/zinc/92/31/00/970923100.db2.gz XRBCENQBYUOORT-CYBMUJFWSA-N -1 1 336.303 2.781 20 30 EFEDMM N#CC(C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001601047767 970923107 /nfs/dbraw/zinc/92/31/07/970923107.db2.gz XRBCENQBYUOORT-CYBMUJFWSA-N -1 1 336.303 2.781 20 30 EFEDMM N#Cc1cccc(-c2nnc(CN3CCC[C@H](CCC(=O)[O-])C3)o2)c1 ZINC001601116088 970935907 /nfs/dbraw/zinc/93/59/07/970935907.db2.gz JSWPGQGYQIJXTA-CYBMUJFWSA-N -1 1 340.383 2.685 20 30 EFEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001589352881 954092972 /nfs/dbraw/zinc/09/29/72/954092972.db2.gz IWOXXQKAADKILY-SUNKGSAMSA-N -1 1 349.818 2.581 20 30 EFEDMM N#CC(C(=O)C1(C(=O)[O-])CC=CC1)c1nccn1Cc1ccccc1 ZINC001594602265 956143734 /nfs/dbraw/zinc/14/37/34/956143734.db2.gz USHASXYEXGHMJC-HNNXBMFYSA-N -1 1 335.363 2.529 20 30 EFEDMM N#C[C@@H](C(=O)C1(C(=O)[O-])CCC1)c1nc2ccccc2n1C(F)F ZINC001594602274 956144270 /nfs/dbraw/zinc/14/42/70/956144270.db2.gz UTEFGAFXOLKIRG-VIFPVBQESA-N -1 1 333.294 2.863 20 30 EFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001588539971 958956720 /nfs/dbraw/zinc/95/67/20/958956720.db2.gz IRYUUPLNKAZOSG-ZDUSSCGKSA-N -1 1 341.154 2.813 20 30 EFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CCCC(=O)[O-] ZINC001588542768 958974490 /nfs/dbraw/zinc/97/44/90/958974490.db2.gz DCQJOTDXUDFUFS-ZDUSSCGKSA-N -1 1 349.456 2.673 20 30 EFEDMM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001573822197 960968455 /nfs/dbraw/zinc/96/84/55/960968455.db2.gz GIRAMHHDMBATSC-KPZWWZAWSA-N -1 1 347.415 2.672 20 30 EFEDMM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC001573822241 960969599 /nfs/dbraw/zinc/96/95/99/960969599.db2.gz GIRAMHHDMBATSC-KZULUSFZSA-N -1 1 347.415 2.672 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001573331789 962815929 /nfs/dbraw/zinc/81/59/29/962815929.db2.gz AUUQTRLJEVIKIJ-QGZVFWFLSA-N -1 1 330.428 2.530 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC001573331789 962815942 /nfs/dbraw/zinc/81/59/42/962815942.db2.gz AUUQTRLJEVIKIJ-QGZVFWFLSA-N -1 1 330.428 2.530 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001573332147 962826594 /nfs/dbraw/zinc/82/65/94/962826594.db2.gz JIDWXYOIPOCFGO-SFHVURJKSA-N -1 1 344.455 2.776 20 30 EFEDMM C=CCCC[C@@H](C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC001573356935 963009962 /nfs/dbraw/zinc/00/99/62/963009962.db2.gz GXWWFOJLZMZRDL-IAGOWNOFSA-N -1 1 341.411 2.662 20 30 EFEDMM N#Cc1ccc(-c2nnc(CN3CCC[C@H](CCC(=O)[O-])C3)o2)cc1 ZINC001608198371 970402675 /nfs/dbraw/zinc/40/26/75/970402675.db2.gz CIWZBSVUEGBTIY-CQSZACIVSA-N -1 1 340.383 2.685 20 30 EFEDMM CCOCc1nc(C)cc(NN=Cc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000905500517 981118841 /nfs/dbraw/zinc/11/88/41/981118841.db2.gz UWJXTBDYPWZAIT-UHFFFAOYSA-N -1 1 332.335 2.605 20 30 EFEDMM CC[C@](C)(C(=O)[O-])N(CC(=O)Nc1sccc1C#N)CC1CC1 ZINC001594778680 981780619 /nfs/dbraw/zinc/78/06/19/981780619.db2.gz YVYXYXDELCYMGH-MRXNPFEDSA-N -1 1 335.429 2.524 20 30 EFEDMM C#C[C@](C)(CC)NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588367469 983299335 /nfs/dbraw/zinc/29/93/35/983299335.db2.gz VCIUTTYPRSXASA-QGZVFWFLSA-N -1 1 334.441 2.655 20 30 EFEDMM C#CCNC(=S)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588485496 983525828 /nfs/dbraw/zinc/52/58/28/983525828.db2.gz SKEWPTRBGWMHRM-UHFFFAOYSA-N -1 1 328.846 2.826 20 30 EFEDMM C#CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001588504399 983547349 /nfs/dbraw/zinc/54/73/49/983547349.db2.gz WEZHJLHTWWYOSR-GOSISDBHSA-N -1 1 325.364 2.623 20 30 EFEDMM C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588563299 983644552 /nfs/dbraw/zinc/64/45/52/983644552.db2.gz QRZYTNWHXIWKJT-AWEZNQCLSA-N -1 1 330.428 2.556 20 30 EFEDMM C=C(CCC(=O)[O-])C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001588634476 983753075 /nfs/dbraw/zinc/75/30/75/983753075.db2.gz VVTGTWVSDYHAPQ-UHFFFAOYSA-N -1 1 343.383 2.783 20 30 EFEDMM C=CC[C@@H](C(=O)[O-])N1CCOc2ccc(Br)cc2C1 ZINC001588732229 984015667 /nfs/dbraw/zinc/01/56/67/984015667.db2.gz WUESJBRSPZQUDV-LBPRGKRZSA-N -1 1 326.190 2.673 20 30 EFEDMM C=CCC[C@H](C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)c1ccccc1 ZINC001588777220 984155518 /nfs/dbraw/zinc/15/55/18/984155518.db2.gz XNCWITFBJZRFCJ-AEFFLSMTSA-N -1 1 344.455 2.744 20 30 EFEDMM C=CCCc1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001588814899 984273969 /nfs/dbraw/zinc/27/39/69/984273969.db2.gz XQSDWYDKIJVJLP-HNNXBMFYSA-N -1 1 345.443 2.818 20 30 EFEDMM C=CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001588872979 984443724 /nfs/dbraw/zinc/44/37/24/984443724.db2.gz WWLWKHQWULQIBZ-SFHVURJKSA-N -1 1 343.379 2.881 20 30 EFEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC001594502934 985694309 /nfs/dbraw/zinc/69/43/09/985694309.db2.gz VJPATBGSWRXKLQ-HONMWMINSA-N -1 1 342.317 2.726 20 30 EFEDMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC001599959620 985756248 /nfs/dbraw/zinc/75/62/48/985756248.db2.gz BPYRPPJDRBLPGD-UHFFFAOYSA-N -1 1 337.379 2.745 20 30 EFEDMM CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001597543207 988238934 /nfs/dbraw/zinc/23/89/34/988238934.db2.gz WWOBOZQSZBLIKJ-CYBMUJFWSA-N -1 1 326.308 2.501 20 30 EFEDMM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC001598504356 992480697 /nfs/dbraw/zinc/48/06/97/992480697.db2.gz GJCACHJIEZVPPL-QGZVFWFLSA-N -1 1 339.395 2.627 20 30 EFEDMM CN(c1ccccc1)[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001598544534 992931529 /nfs/dbraw/zinc/93/15/29/992931529.db2.gz SAIKUZUAAQLDPJ-QGZVFWFLSA-N -1 1 335.407 2.967 20 30 EFEDMM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H](c2ccccc2)C1 ZINC001598619139 993964133 /nfs/dbraw/zinc/96/41/33/993964133.db2.gz HQFUETDLUXQBCJ-LJQANCHMSA-N -1 1 335.407 2.745 20 30 EFEDMM C[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1cccc(C#N)c1 ZINC001593236768 994408219 /nfs/dbraw/zinc/40/82/19/994408219.db2.gz IUYQBJBQCYTJAR-SNVBAGLBSA-N -1 1 329.381 2.607 20 30 EFEDMM C[C@](NCc1csc(C#N)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593311550 994783452 /nfs/dbraw/zinc/78/34/52/994783452.db2.gz HUYSKGWIHKKQNS-OAHLLOKOSA-N -1 1 331.353 2.618 20 30 EFEDMM COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001598682774 994956633 /nfs/dbraw/zinc/95/66/33/994956633.db2.gz GEGLBRDNRZBHRK-CQSZACIVSA-N -1 1 344.411 2.668 20 30 EFEDMM C[C@H](Oc1ccccc1CNCc1cccc(OCC#N)c1)C(=O)[O-] ZINC001593648274 995995852 /nfs/dbraw/zinc/99/58/52/995995852.db2.gz HSBXPNVYDVKYSG-AWEZNQCLSA-N -1 1 340.379 2.731 20 30 EFEDMM CC1(C)CCC[C@@](NCC(=O)Nc2sccc2C#N)(C(=O)[O-])C1 ZINC001593894665 996747481 /nfs/dbraw/zinc/74/74/81/996747481.db2.gz GCMOHVAXTQACHA-INIZCTEOSA-N -1 1 335.429 2.571 20 30 EFEDMM COC(=O)c1ccccc1NN=C(C)c1ccc(OCC(=O)[O-])cc1 ZINC001599002070 998827824 /nfs/dbraw/zinc/82/78/24/998827824.db2.gz KOLNCCIHIREYEA-UHFFFAOYSA-N -1 1 342.351 2.773 20 30 EFEDMM CCc1c(C([O-])=C(C#N)c2ncc(Cl)n2C)cnn1CC(C)C ZINC001646899919 1088508791 /nfs/dbraw/zinc/50/87/91/1088508791.db2.gz VSYHEQJABHRKIQ-LLVKDONJSA-N -1 1 333.823 2.978 20 30 EFEDMM N#Cc1cc([N+](=O)[O-])ccc1Sc1cccc(F)c1-c1nn[n-]n1 ZINC001581870839 1091327722 /nfs/dbraw/zinc/32/77/22/1091327722.db2.gz VGZHTWHAKBUETI-UHFFFAOYSA-N -1 1 342.315 2.937 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2sccc2Br)c(=O)o1 ZINC000588467706 1092233361 /nfs/dbraw/zinc/23/33/61/1092233361.db2.gz JIFHJLLRXSNPFO-DLGQBQFBSA-N -1 1 341.182 2.739 20 30 EFEDMM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccc(Cl)cc1 ZINC001588329862 1092925761 /nfs/dbraw/zinc/92/57/61/1092925761.db2.gz PLCHWDJZUQWUNM-ZDUSSCGKSA-N -1 1 341.758 2.526 20 30 EFEDMM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccc(Cl)cc1 ZINC001588329862 1092925770 /nfs/dbraw/zinc/92/57/70/1092925770.db2.gz PLCHWDJZUQWUNM-ZDUSSCGKSA-N -1 1 341.758 2.526 20 30 EFEDMM C#CC[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001588333744 1092927897 /nfs/dbraw/zinc/92/78/97/1092927897.db2.gz CWVXLQMEVQXVBU-HNNXBMFYSA-N -1 1 334.339 2.951 20 30 EFEDMM C=C(C)[C@@H]1CC=C(COC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588401475 1092939767 /nfs/dbraw/zinc/93/97/67/1092939767.db2.gz RZFAMWSPBYVHFY-CYBMUJFWSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)[C@@H]1CC=C(COC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588401475 1092939775 /nfs/dbraw/zinc/93/97/75/1092939775.db2.gz RZFAMWSPBYVHFY-CYBMUJFWSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)[C@H]1CC=C(COC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588401476 1092941329 /nfs/dbraw/zinc/94/13/29/1092941329.db2.gz RZFAMWSPBYVHFY-ZDUSSCGKSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(C)[C@H]1CC=C(COC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588401476 1092941337 /nfs/dbraw/zinc/94/13/37/1092941337.db2.gz RZFAMWSPBYVHFY-ZDUSSCGKSA-N -1 1 325.372 2.721 20 30 EFEDMM C=C(CC)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001588441474 1092946748 /nfs/dbraw/zinc/94/67/48/1092946748.db2.gz FVWFGFKVYLFYBQ-UHFFFAOYSA-N -1 1 344.444 2.557 20 30 EFEDMM C=CCC[C@@H]1CCCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588582718 1092965106 /nfs/dbraw/zinc/96/51/06/1092965106.db2.gz NWLDCXIZNAXUHP-LLVKDONJSA-N -1 1 333.342 2.716 20 30 EFEDMM C=CCC[C@@H]1CCCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588582718 1092965112 /nfs/dbraw/zinc/96/51/12/1092965112.db2.gz NWLDCXIZNAXUHP-LLVKDONJSA-N -1 1 333.342 2.716 20 30 EFEDMM C=CCCCCCCCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588593606 1092965379 /nfs/dbraw/zinc/96/53/79/1092965379.db2.gz FEXQJRTZLDDIAO-UHFFFAOYSA-N -1 1 349.464 2.649 20 30 EFEDMM C=CCCCCCCCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588593606 1092965391 /nfs/dbraw/zinc/96/53/91/1092965391.db2.gz FEXQJRTZLDDIAO-UHFFFAOYSA-N -1 1 349.464 2.649 20 30 EFEDMM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccccc1 ZINC001588626170 1092970415 /nfs/dbraw/zinc/97/04/15/1092970415.db2.gz VIMGVAUOVUZNMB-UHFFFAOYSA-N -1 1 340.774 2.748 20 30 EFEDMM C=CCCc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588620720 1092970669 /nfs/dbraw/zinc/97/06/69/1092970669.db2.gz DZEGGBUGRZVMJR-UHFFFAOYSA-N -1 1 334.383 2.562 20 30 EFEDMM C=CCCc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588620720 1092970679 /nfs/dbraw/zinc/97/06/79/1092970679.db2.gz DZEGGBUGRZVMJR-UHFFFAOYSA-N -1 1 334.383 2.562 20 30 EFEDMM C=CCn1ncc2ccc(NC(=O)c3cc(-c4nnn[n-]4)oc3C)cc21 ZINC001588716436 1092981205 /nfs/dbraw/zinc/98/12/05/1092981205.db2.gz FHOSXESNMWUIPJ-UHFFFAOYSA-N -1 1 349.354 2.556 20 30 EFEDMM C=CCn1ncc2ccc(NC(=O)c3cc(-c4nn[n-]n4)oc3C)cc21 ZINC001588716436 1092981215 /nfs/dbraw/zinc/98/12/15/1092981215.db2.gz FHOSXESNMWUIPJ-UHFFFAOYSA-N -1 1 349.354 2.556 20 30 EFEDMM Cc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(O)c1 ZINC001588781250 1092992256 /nfs/dbraw/zinc/99/22/56/1092992256.db2.gz OXDKNRQIKLIMID-UHFFFAOYSA-N -1 1 341.375 2.828 20 30 EFEDMM CC(=NNCc1ccccc1N(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC001588777356 1092992806 /nfs/dbraw/zinc/99/28/06/1092992806.db2.gz PBEHDGDIGYJAFH-UHFFFAOYSA-N -1 1 341.444 2.508 20 30 EFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)cn2)o1 ZINC001589238444 1093054979 /nfs/dbraw/zinc/05/49/79/1093054979.db2.gz XAFJZBSFNQYHQW-UHFFFAOYSA-N -1 1 346.782 2.647 20 30 EFEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589257506 1093061178 /nfs/dbraw/zinc/06/11/78/1093061178.db2.gz INOOVZAGOFJUCH-UHFFFAOYSA-N -1 1 341.400 2.609 20 30 EFEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589257506 1093061186 /nfs/dbraw/zinc/06/11/86/1093061186.db2.gz INOOVZAGOFJUCH-UHFFFAOYSA-N -1 1 341.400 2.609 20 30 EFEDMM CC(C)[C@H]1CCC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001589507370 1093098868 /nfs/dbraw/zinc/09/88/68/1093098868.db2.gz JDLXGWGGSZAGMP-RYUDHWBXSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001589508334 1093100523 /nfs/dbraw/zinc/10/05/23/1093100523.db2.gz ZIMKTACLFAUAEI-NEPJUHHUSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001589508334 1093100525 /nfs/dbraw/zinc/10/05/25/1093100525.db2.gz ZIMKTACLFAUAEI-NEPJUHHUSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CN(Cc1ccc(C#N)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001589626263 1093117270 /nfs/dbraw/zinc/11/72/70/1093117270.db2.gz RRAHPQARAXOQPR-UHFFFAOYSA-N -1 1 333.399 2.796 20 30 EFEDMM CC(C)CN(Cc1ccc(C#N)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001589626263 1093117276 /nfs/dbraw/zinc/11/72/76/1093117276.db2.gz RRAHPQARAXOQPR-UHFFFAOYSA-N -1 1 333.399 2.796 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c(F)c2)o1 ZINC001589664833 1093122597 /nfs/dbraw/zinc/12/25/97/1093122597.db2.gz YHCXGGQWUYTUJK-UHFFFAOYSA-N -1 1 347.329 2.777 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC=CCc2ccco2)o1 ZINC001589664693 1093123833 /nfs/dbraw/zinc/12/38/33/1093123833.db2.gz VKRPQPMJVMRWGI-KRYSJNIRSA-N -1 1 327.348 2.757 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC(C)(C)[C@@H]2CCCCO2)o1 ZINC001589773951 1093142334 /nfs/dbraw/zinc/14/23/34/1093142334.db2.gz QKYISZYDDYZOLR-NSHDSACASA-N -1 1 347.423 2.971 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3ncccc3c2)o1 ZINC001589773397 1093143168 /nfs/dbraw/zinc/14/31/68/1093143168.db2.gz ALEVERCUFFGZOU-UHFFFAOYSA-N -1 1 348.370 2.972 20 30 EFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccoc2)o1 ZINC001589901646 1093173145 /nfs/dbraw/zinc/17/31/45/1093173145.db2.gz BAFKXKYITANIAI-UHFFFAOYSA-N -1 1 329.364 2.677 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1csc2ccccc12 ZINC001589986446 1093212013 /nfs/dbraw/zinc/21/20/13/1093212013.db2.gz IIJWNNPWNFPKLA-SECBINFHSA-N -1 1 348.395 2.916 20 30 EFEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1csc2ccccc12 ZINC001589986446 1093212018 /nfs/dbraw/zinc/21/20/18/1093212018.db2.gz IIJWNNPWNFPKLA-SECBINFHSA-N -1 1 348.395 2.916 20 30 EFEDMM Cn1ccnc1C(C#N)=C([O-])c1cnn(C(C)(C)C)c1C(F)(F)F ZINC001650441670 1093246177 /nfs/dbraw/zinc/24/61/77/1093246177.db2.gz VMVGPGAPUGGMPH-SECBINFHSA-N -1 1 339.321 2.880 20 30 EFEDMM CCCCCCCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590593140 1093505922 /nfs/dbraw/zinc/50/59/22/1093505922.db2.gz XXNYNDODUMFXPD-UHFFFAOYSA-N -1 1 333.440 2.988 20 30 EFEDMM CCCCCCCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590593140 1093505928 /nfs/dbraw/zinc/50/59/28/1093505928.db2.gz XXNYNDODUMFXPD-UHFFFAOYSA-N -1 1 333.440 2.988 20 30 EFEDMM CCOc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)o1 ZINC001590838186 1093591212 /nfs/dbraw/zinc/59/12/12/1093591212.db2.gz YDQYAAYMCJOJDK-UHFFFAOYSA-N -1 1 345.363 2.590 20 30 EFEDMM CCSCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1ccccc1 ZINC001590852504 1093599054 /nfs/dbraw/zinc/59/90/54/1093599054.db2.gz JGVUJGVMIPLCPD-UHFFFAOYSA-N -1 1 343.416 2.732 20 30 EFEDMM COCC(CC(C)(C)C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC001591374970 1093709223 /nfs/dbraw/zinc/70/92/23/1093709223.db2.gz IIPNRNKTFGQEBM-UHFFFAOYSA-N -1 1 349.439 2.904 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001591626097 1093804117 /nfs/dbraw/zinc/80/41/17/1093804117.db2.gz ZQQXOPGGERMCQR-POHAHGRESA-N -1 1 339.380 2.544 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001591626097 1093804126 /nfs/dbraw/zinc/80/41/26/1093804126.db2.gz ZQQXOPGGERMCQR-POHAHGRESA-N -1 1 339.380 2.544 20 30 EFEDMM COc1cccc2c1CCC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591642990 1093816165 /nfs/dbraw/zinc/81/61/65/1093816165.db2.gz SRRFZGBCLCZURS-VQHVLOKHSA-N -1 1 339.380 2.544 20 30 EFEDMM COc1cccc2c1CCC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591642990 1093816166 /nfs/dbraw/zinc/81/61/66/1093816166.db2.gz SRRFZGBCLCZURS-VQHVLOKHSA-N -1 1 339.380 2.544 20 30 EFEDMM Cc1cc(Cl)cc2c1OC(=Cc1nc(-c3nnn[n-]3)cs1)C2=O ZINC001591976322 1093942586 /nfs/dbraw/zinc/94/25/86/1093942586.db2.gz ILOJXUQKKIUIMW-ONNFQVAWSA-N -1 1 345.771 2.901 20 30 EFEDMM Cc1cc(Cl)cc2c1OC(=Cc1nc(-c3nn[n-]n3)cs1)C2=O ZINC001591976322 1093942592 /nfs/dbraw/zinc/94/25/92/1093942592.db2.gz ILOJXUQKKIUIMW-ONNFQVAWSA-N -1 1 345.771 2.901 20 30 EFEDMM Cc1cc(NCC2CCC(C#N)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592044056 1093965075 /nfs/dbraw/zinc/96/50/75/1093965075.db2.gz MFSXQJAGNHLJNH-UHFFFAOYSA-N -1 1 341.375 2.825 20 30 EFEDMM Cc1cc(NCC2CCC(C#N)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592044056 1093965079 /nfs/dbraw/zinc/96/50/79/1093965079.db2.gz MFSXQJAGNHLJNH-UHFFFAOYSA-N -1 1 341.375 2.825 20 30 EFEDMM Cc1cc(OC(=O)c2ccsc2-c2nnn[n-]2)c(C)c(C)c1C#N ZINC001592060174 1093970984 /nfs/dbraw/zinc/97/09/84/1093970984.db2.gz KLOUMWZZQHFYEY-UHFFFAOYSA-N -1 1 339.380 2.944 20 30 EFEDMM Cc1cc(OC(=O)c2ccsc2-c2nn[n-]n2)c(C)c(C)c1C#N ZINC001592060174 1093970985 /nfs/dbraw/zinc/97/09/85/1093970985.db2.gz KLOUMWZZQHFYEY-UHFFFAOYSA-N -1 1 339.380 2.944 20 30 EFEDMM Cc1ccc2ccc(Oc3cnc(-c4nn[n-]n4)c(C#N)n3)cc2c1 ZINC001592207986 1094031329 /nfs/dbraw/zinc/03/13/29/1094031329.db2.gz ODSZZQAVARJQRJ-UHFFFAOYSA-N -1 1 329.323 2.782 20 30 EFEDMM Cc1ccnc(NN=Cc2ccc(F)c(-c3nn[n-]n3)c2Cl)c1 ZINC001592275683 1094062388 /nfs/dbraw/zinc/06/23/88/1094062388.db2.gz UEBYCXDPXUPDPW-UHFFFAOYSA-N -1 1 331.742 2.809 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CC[C@H](Cc3ccccc3)C2)o1 ZINC001592337029 1094081021 /nfs/dbraw/zinc/08/10/21/1094081021.db2.gz NBIXGXOTVNQKOQ-CYBMUJFWSA-N -1 1 337.387 2.974 20 30 EFEDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(C#N)cc2F)n1 ZINC001592353168 1094084584 /nfs/dbraw/zinc/08/45/84/1094084584.db2.gz GVGMBZFFMPGVOI-UHFFFAOYSA-N -1 1 341.375 2.577 20 30 EFEDMM Fc1ccc(C=Nn2cnc3ccccc32)c(Cl)c1-c1nnn[n-]1 ZINC001592648158 1094161437 /nfs/dbraw/zinc/16/14/37/1094161437.db2.gz AMYRGPYBVXFCOZ-UHFFFAOYSA-N -1 1 341.737 2.891 20 30 EFEDMM Fc1ccc(C=Nn2cnc3ccccc32)c(Cl)c1-c1nn[n-]n1 ZINC001592648158 1094161442 /nfs/dbraw/zinc/16/14/42/1094161442.db2.gz AMYRGPYBVXFCOZ-UHFFFAOYSA-N -1 1 341.737 2.891 20 30 EFEDMM N#CC1(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001592668908 1094173578 /nfs/dbraw/zinc/17/35/78/1094173578.db2.gz BLUMHUURGZKATO-UHFFFAOYSA-N -1 1 337.309 2.776 20 30 EFEDMM N#CC1(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001592668908 1094173583 /nfs/dbraw/zinc/17/35/83/1094173583.db2.gz BLUMHUURGZKATO-UHFFFAOYSA-N -1 1 337.309 2.776 20 30 EFEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccc(-c2cccs2)cc1 ZINC001592684281 1094176578 /nfs/dbraw/zinc/17/65/78/1094176578.db2.gz KDRNVLMYCNOVGH-UHFFFAOYSA-N -1 1 333.380 2.712 20 30 EFEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccc(-c2ccsc2)cc1 ZINC001592684493 1094176585 /nfs/dbraw/zinc/17/65/85/1094176585.db2.gz UKZZIPBYHRVDNL-UHFFFAOYSA-N -1 1 333.380 2.712 20 30 EFEDMM N#CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC001592677808 1094176608 /nfs/dbraw/zinc/17/66/08/1094176608.db2.gz UFYNLHCUAIGOAC-UHFFFAOYSA-N -1 1 344.787 2.752 20 30 EFEDMM N#CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC001592677808 1094176611 /nfs/dbraw/zinc/17/66/11/1094176611.db2.gz UFYNLHCUAIGOAC-UHFFFAOYSA-N -1 1 344.787 2.752 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl)c1ccncc1 ZINC001592792890 1094188432 /nfs/dbraw/zinc/18/84/32/1094188432.db2.gz VWNZSLUYJVULTE-RQOWECAXSA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl)c1ccncc1 ZINC001592792890 1094188434 /nfs/dbraw/zinc/18/84/34/1094188434.db2.gz VWNZSLUYJVULTE-RQOWECAXSA-N -1 1 329.722 2.950 20 30 EFEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccc(OC(F)F)cc1 ZINC001592803070 1094191980 /nfs/dbraw/zinc/19/19/80/1094191980.db2.gz INFLRTGHRXVUMK-AATRIKPKSA-N -1 1 349.322 2.821 20 30 EFEDMM O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC001592803070 1094191982 /nfs/dbraw/zinc/19/19/82/1094191982.db2.gz INFLRTGHRXVUMK-AATRIKPKSA-N -1 1 349.322 2.821 20 30 EFEDMM O=C1c2cc(F)ccc2OC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593379545 1094304351 /nfs/dbraw/zinc/30/43/51/1094304351.db2.gz HBLBIHCJLHSSGQ-AWNIVKPZSA-N -1 1 326.262 2.761 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1CC#Cc1ccc(Cl)cc1 ZINC001594339341 1094423337 /nfs/dbraw/zinc/42/33/37/1094423337.db2.gz IPAMVQDNEZNBBO-VZEFYGNVSA-N -1 1 333.815 2.787 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1CC#Cc1ccc(Cl)cc1 ZINC001594339339 1094424276 /nfs/dbraw/zinc/42/42/76/1094424276.db2.gz IPAMVQDNEZNBBO-ISWURRPUSA-N -1 1 333.815 2.787 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1ccc(C#N)cc1Cl ZINC001594339554 1094424307 /nfs/dbraw/zinc/42/43/07/1094424307.db2.gz KAEGBFVGMQULIX-XGVBPZLHSA-N -1 1 334.803 2.807 20 30 EFEDMM Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001600190756 1094857916 /nfs/dbraw/zinc/85/79/16/1094857916.db2.gz XFSCGSBSYPOFNV-UHFFFAOYSA-N -1 1 328.368 2.807 20 30 EFEDMM Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001600190756 1094857933 /nfs/dbraw/zinc/85/79/33/1094857933.db2.gz XFSCGSBSYPOFNV-UHFFFAOYSA-N -1 1 328.368 2.807 20 30 EFEDMM Cc1cccc2nc([C@H](C#N)C(=O)Nc3ccccc3C(=O)[O-])[nH]c21 ZINC001600555312 1095160355 /nfs/dbraw/zinc/16/03/55/1095160355.db2.gz PXYFMBSCWQFYNY-LBPRGKRZSA-N -1 1 334.335 2.815 20 30 EFEDMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CC[C@@H](CC#N)C3)c12 ZINC001600718897 1095285648 /nfs/dbraw/zinc/28/56/48/1095285648.db2.gz YRLIYRXWFFATAJ-QWRGUYRKSA-N -1 1 330.413 2.923 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN2CCCCC[C@H]2C(=O)[O-])c1C#N ZINC001600762032 1095314589 /nfs/dbraw/zinc/31/45/89/1095314589.db2.gz NRXHYAPDKLWTOF-KRWDZBQOSA-N -1 1 338.411 2.882 20 30 EFEDMM N#CC(C(=O)Cc1ccccc1C(=O)[O-])=C(O)C1(c2ccccc2)CC1 ZINC001601047325 1095477580 /nfs/dbraw/zinc/47/75/80/1095477580.db2.gz MUTPYXGRFZXLIU-KRWDZBQOSA-N -1 1 347.370 2.937 20 30 EFEDMM N#CC1(C(=O)[O-])CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC001601052194 1095481682 /nfs/dbraw/zinc/48/16/82/1095481682.db2.gz MGBVTQHSLKQFBP-UHFFFAOYSA-N -1 1 326.755 2.548 20 30 EFEDMM N#CC1(CN2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC001601056232 1095484331 /nfs/dbraw/zinc/48/43/31/1095484331.db2.gz DSBKSRWLGADEJI-UONOGXRCSA-N -1 1 349.228 2.853 20 30 EFEDMM N#CC1(c2ccccn2)CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC001601058274 1095484744 /nfs/dbraw/zinc/48/47/44/1095484744.db2.gz KWKWAIFMDLEOCN-UHFFFAOYSA-N -1 1 327.409 2.899 20 30 EFEDMM N#CCCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001601065793 1095488265 /nfs/dbraw/zinc/48/82/65/1095488265.db2.gz RELOHOUYKKWXEP-AWEZNQCLSA-N -1 1 337.217 2.954 20 30 EFEDMM N#CCC[C@H](C#N)CN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001601064255 1095488384 /nfs/dbraw/zinc/48/83/84/1095488384.db2.gz QJCOJEIHPKOYNE-UHOFOFEASA-N -1 1 331.803 2.884 20 30 EFEDMM N#Cc1c(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cccc1C(=O)[O-] ZINC001601080861 1095494676 /nfs/dbraw/zinc/49/46/76/1095494676.db2.gz DVWPOZVPKKTJGV-IAGOWNOFSA-N -1 1 347.418 2.825 20 30 EFEDMM N#CCc1ccsc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001601079095 1095495249 /nfs/dbraw/zinc/49/52/49/1095495249.db2.gz MVSWITCAJWPRHZ-UHFFFAOYSA-N -1 1 326.337 2.641 20 30 EFEDMM N#Cc1ccc(C2(NCC(=O)Nc3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC001601097579 1095510224 /nfs/dbraw/zinc/51/02/24/1095510224.db2.gz JSSPRKWWAPXURU-UHFFFAOYSA-N -1 1 349.390 2.864 20 30 EFEDMM N#Cc1ccc(N=NCc2cccn2CC(=O)[O-])c(C(F)(F)F)c1 ZINC001601107678 1095516068 /nfs/dbraw/zinc/51/60/68/1095516068.db2.gz CVAANMWSYIXBED-UHFFFAOYSA-N -1 1 336.273 2.909 20 30 EFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001601117547 1095521413 /nfs/dbraw/zinc/52/14/13/1095521413.db2.gz CWEJTZAZHILUAJ-TZIWHRDSSA-N -1 1 348.402 2.858 20 30 EFEDMM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001601124116 1095529263 /nfs/dbraw/zinc/52/92/63/1095529263.db2.gz CQGWYOGUDPIBEW-UONOGXRCSA-N -1 1 346.346 2.875 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc3c2OCC3)c(=O)o1 ZINC000782880831 1096196927 /nfs/dbraw/zinc/19/69/27/1096196927.db2.gz PAQHHCVNRALFOT-MPNWYJEXSA-N -1 1 332.739 2.503 20 30 EFEDMM C=C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001602780420 1096368833 /nfs/dbraw/zinc/36/88/33/1096368833.db2.gz MVFDDMAUSPHKHP-CYBMUJFWSA-N -1 1 325.397 2.514 20 30 EFEDMM C=C[C@H]1CCCCN1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001602803264 1096373691 /nfs/dbraw/zinc/37/36/91/1096373691.db2.gz JXOWZODGRRAIOB-ZETCQYMHSA-N -1 1 339.812 2.549 20 30 EFEDMM C=CC[C@@H]1N(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001602823467 1096378133 /nfs/dbraw/zinc/37/81/33/1096378133.db2.gz KYNOZKZNOKLPOU-AWEZNQCLSA-N -1 1 341.419 2.860 20 30 EFEDMM C=CC[C@@H]1N(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001602823467 1096378141 /nfs/dbraw/zinc/37/81/41/1096378141.db2.gz KYNOZKZNOKLPOU-AWEZNQCLSA-N -1 1 341.419 2.860 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001602852133 1096385217 /nfs/dbraw/zinc/38/52/17/1096385217.db2.gz JBLYYABDPHDZCM-UHFFFAOYSA-N -1 1 349.398 2.524 20 30 EFEDMM C=CCN(CCc1ccccc1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001602852133 1096385226 /nfs/dbraw/zinc/38/52/26/1096385226.db2.gz JBLYYABDPHDZCM-UHFFFAOYSA-N -1 1 349.398 2.524 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001602870403 1096390062 /nfs/dbraw/zinc/39/00/62/1096390062.db2.gz LBLWBKCELIXATM-UHFFFAOYSA-N -1 1 328.353 2.712 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001602870403 1096390072 /nfs/dbraw/zinc/39/00/72/1096390072.db2.gz LBLWBKCELIXATM-UHFFFAOYSA-N -1 1 328.353 2.712 20 30 EFEDMM C=CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)[C@@H](C)CCC ZINC001602878611 1096391889 /nfs/dbraw/zinc/39/18/89/1096391889.db2.gz FCKJEQVILIVTLO-NSHDSACASA-N -1 1 342.407 2.529 20 30 EFEDMM C=CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)[C@@H](C)CCC ZINC001602878611 1096391897 /nfs/dbraw/zinc/39/18/97/1096391897.db2.gz FCKJEQVILIVTLO-NSHDSACASA-N -1 1 342.407 2.529 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(OC(C)C)cc2)o1 ZINC001602911994 1096400171 /nfs/dbraw/zinc/40/01/71/1096400171.db2.gz LTQOLBGMRBIHAO-UHFFFAOYSA-N -1 1 341.375 2.786 20 30 EFEDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001603257386 1096488240 /nfs/dbraw/zinc/48/82/40/1096488240.db2.gz CGPSOZUGUZTOAL-CYBMUJFWSA-N -1 1 331.372 2.789 20 30 EFEDMM CC(C)CC[C@H]1CCC[C@@H]1Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603278630 1096492914 /nfs/dbraw/zinc/49/29/14/1096492914.db2.gz RQIACPKDQAJHLU-NEPJUHHUSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CC[C@H]1CCC[C@@H]1Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603278630 1096492919 /nfs/dbraw/zinc/49/29/19/1096492919.db2.gz RQIACPKDQAJHLU-NEPJUHHUSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)CC[C@H]1CCC[C@@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603278513 1096493094 /nfs/dbraw/zinc/49/30/94/1096493094.db2.gz QPJKXXVTZFMUPP-NEPJUHHUSA-N -1 1 326.408 2.545 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3c(c2)CCC3)o1 ZINC001603406831 1096521427 /nfs/dbraw/zinc/52/14/27/1096521427.db2.gz CYFZBKYQZJLCRU-UHFFFAOYSA-N -1 1 337.387 2.913 20 30 EFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c(F)c2)o1 ZINC001603407376 1096522887 /nfs/dbraw/zinc/52/28/87/1096522887.db2.gz VPRISBZJCDFWQS-UHFFFAOYSA-N -1 1 333.302 2.702 20 30 EFEDMM C[C@H]1C[C@H](CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC(C)(C)C1 ZINC001603851054 1096645387 /nfs/dbraw/zinc/64/53/87/1096645387.db2.gz QLTMMUQCBSXTGQ-RYUDHWBXSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@H]1C[C@H](CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC(C)(C)C1 ZINC001603851054 1096645391 /nfs/dbraw/zinc/64/53/91/1096645391.db2.gz QLTMMUQCBSXTGQ-RYUDHWBXSA-N -1 1 340.435 2.793 20 30 EFEDMM C[C@@H]1CCCc2ccccc2[C@@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603899169 1096663454 /nfs/dbraw/zinc/66/34/54/1096663454.db2.gz LVFDNHHMIMOLGE-BDJLRTHQSA-N -1 1 346.398 2.654 20 30 EFEDMM CCC(CC)CN(CCC#N)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604025243 1096702533 /nfs/dbraw/zinc/70/25/33/1096702533.db2.gz BUHKSJDKGITTNS-UHFFFAOYSA-N -1 1 332.433 2.720 20 30 EFEDMM CCn1cc(CN=Nc2oc(C)nc2-c2nn[n-]n2)c2ccccc21 ZINC001604604616 1096913190 /nfs/dbraw/zinc/91/31/90/1096913190.db2.gz IKZMFOCVYJUHTE-UHFFFAOYSA-N -1 1 336.359 2.584 20 30 EFEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1cc(Cl)cc(C#N)c1 ZINC001604711246 1096937748 /nfs/dbraw/zinc/93/77/48/1096937748.db2.gz BNVXCVHZSCIDIJ-BWAGICSOSA-N -1 1 334.803 2.807 20 30 EFEDMM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001604971394 1096990381 /nfs/dbraw/zinc/99/03/81/1096990381.db2.gz SPRVSQBUIRPCSQ-DAXSKMNVSA-N -1 1 340.364 2.611 20 30 EFEDMM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001604971394 1096990388 /nfs/dbraw/zinc/99/03/88/1096990388.db2.gz SPRVSQBUIRPCSQ-DAXSKMNVSA-N -1 1 340.364 2.611 20 30 EFEDMM CO[C@H]1CCCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC001605027785 1097004414 /nfs/dbraw/zinc/00/44/14/1097004414.db2.gz CHBKYUBPUKTLJY-NSHDSACASA-N -1 1 333.396 2.725 20 30 EFEDMM CO[C@H]1CCCC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)CC1 ZINC001605029298 1097005017 /nfs/dbraw/zinc/00/50/17/1097005017.db2.gz MVTLMJIPDVRZSX-LBPRGKRZSA-N -1 1 347.423 2.800 20 30 EFEDMM COc1ccc(CCC(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC001605271590 1097075619 /nfs/dbraw/zinc/07/56/19/1097075619.db2.gz OBTAABAIKUPZAQ-UHFFFAOYSA-N -1 1 341.375 2.592 20 30 EFEDMM CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC001605413759 1097122072 /nfs/dbraw/zinc/12/20/72/1097122072.db2.gz KLIXDPMHKYPKIE-PBHICJAKSA-N -1 1 345.443 2.557 20 30 EFEDMM CCO[C@H]1C[C@](NCC#Cc2ccc(Cl)cc2)(C(=O)[O-])C1(C)C ZINC001605605757 1097169169 /nfs/dbraw/zinc/16/91/69/1097169169.db2.gz HIKXSTKAROCZLD-YJBOKZPZSA-N -1 1 335.831 2.940 20 30 EFEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1cc(C)c(C#N)c(C)c1C ZINC001605745747 1097214484 /nfs/dbraw/zinc/21/44/84/1097214484.db2.gz PBDBGKSHDKPTOF-UHFFFAOYSA-N -1 1 337.339 2.784 20 30 EFEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1cc(C)c(C#N)c(C)c1C ZINC001605745747 1097214486 /nfs/dbraw/zinc/21/44/86/1097214486.db2.gz PBDBGKSHDKPTOF-UHFFFAOYSA-N -1 1 337.339 2.784 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC001606019971 1097299927 /nfs/dbraw/zinc/29/99/27/1097299927.db2.gz PHYVIFGGSYZRER-RKDXNWHRSA-N -1 1 343.313 2.930 20 30 EFEDMM N#C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001606340609 1097388744 /nfs/dbraw/zinc/38/87/44/1097388744.db2.gz WMIAVEZVSUDVEL-LLVKDONJSA-N -1 1 344.787 2.576 20 30 EFEDMM N#CC1(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)CCC1 ZINC001606343978 1097389913 /nfs/dbraw/zinc/38/99/13/1097389913.db2.gz VOTVZXZILONMNX-UHFFFAOYSA-N -1 1 340.774 2.529 20 30 EFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482590 1097405941 /nfs/dbraw/zinc/40/59/41/1097405941.db2.gz PVLWJXDCXCUFSL-GORDUTHDSA-N -1 1 339.336 2.671 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)Oc2cccc(Cl)c21 ZINC001607037793 1097501662 /nfs/dbraw/zinc/50/16/62/1097501662.db2.gz PUHOINAWEDDLFR-WTKPLQERSA-N -1 1 331.744 2.593 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)Oc2cccc(Cl)c21 ZINC001607037793 1097501668 /nfs/dbraw/zinc/50/16/68/1097501668.db2.gz PUHOINAWEDDLFR-WTKPLQERSA-N -1 1 331.744 2.593 20 30 EFEDMM COc1cc(C#N)ccc1CN[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001607064889 1097504513 /nfs/dbraw/zinc/50/45/13/1097504513.db2.gz AXQISDDHXMISBY-GOSISDBHSA-N -1 1 328.343 2.796 20 30 EFEDMM COc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)C(=O)[O-])c(OC)c1 ZINC001607234916 1097568870 /nfs/dbraw/zinc/56/88/70/1097568870.db2.gz QDMVPSLFRMHXAB-QGZVFWFLSA-N -1 1 344.342 2.630 20 30 EFEDMM Cc1n[nH]c(C(C)C)c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001607935689 1097782645 /nfs/dbraw/zinc/78/26/45/1097782645.db2.gz VUFIZDNNHAKTNV-UHFFFAOYSA-N -1 1 327.340 2.768 20 30 EFEDMM Cc1nn(-c2ccccc2)c(CN([C@H](C)C(=O)[O-])C2CCC2)c1C#N ZINC001607995439 1097799363 /nfs/dbraw/zinc/79/93/63/1097799363.db2.gz LVXWPBNZDUEPKC-CQSZACIVSA-N -1 1 338.411 2.880 20 30 EFEDMM Cn1cc([C@@H]2CN(Cc3cccc(C(=O)[O-])c3C#N)CC2(C)C)cn1 ZINC001608109780 1097835813 /nfs/dbraw/zinc/83/58/13/1097835813.db2.gz OETWHYHFJNHBHQ-KRWDZBQOSA-N -1 1 338.411 2.616 20 30 EFEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1F)c1cnc2ccccc2n1 ZINC001608170547 1097849793 /nfs/dbraw/zinc/84/97/93/1097849793.db2.gz QRIPQHFSQJKWSE-LBPRGKRZSA-N -1 1 335.294 2.957 20 30 EFEDMM N#CC(C(=O)c1ccc(C(=O)[O-])cc1F)c1cnc2ccccc2n1 ZINC001608170546 1097850046 /nfs/dbraw/zinc/85/00/46/1097850046.db2.gz QRIPQHFSQJKWSE-GFCCVEGCSA-N -1 1 335.294 2.957 20 30 EFEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)nc1 ZINC001608207796 1097864017 /nfs/dbraw/zinc/86/40/17/1097864017.db2.gz SFFNKAVOXKFRJO-CQSZACIVSA-N -1 1 335.285 2.888 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)[C@@]3(C(=O)[O-])C[C@@H]3c3ccccc3)[nH]c2c1 ZINC001608213481 1097865076 /nfs/dbraw/zinc/86/50/76/1097865076.db2.gz NFXMUOFJVKGLCQ-BFUOFWGJSA-N -1 1 346.346 2.632 20 30 EFEDMM N#Cc1cccc(CN2CCC(Nc3ncc(C(=O)[O-])s3)CC2)c1 ZINC001608217631 1097867415 /nfs/dbraw/zinc/86/74/15/1097867415.db2.gz MGMVJVCWRGVGKC-UHFFFAOYSA-N -1 1 342.424 2.789 20 30 EFEDMM N#Cc1cnc(Cl)c(CN(CCc2ccccc2)CC(=O)[O-])c1 ZINC001608223462 1097869560 /nfs/dbraw/zinc/86/95/60/1097869560.db2.gz VZONWJBLSNJGID-UHFFFAOYSA-N -1 1 329.787 2.736 20 30 EFEDMM O=C([O-])c1c(F)cccc1N=NCc1ccc(C(=O)NC2CC2)cc1 ZINC001608405712 1097913754 /nfs/dbraw/zinc/91/37/54/1097913754.db2.gz ASAZJWGRGAKGQE-UHFFFAOYSA-N -1 1 341.342 2.862 20 30 EFEDMM C#C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1F ZINC001609018981 1098113000 /nfs/dbraw/zinc/11/30/00/1098113000.db2.gz KFCGFVHWARSGRZ-CYBMUJFWSA-N -1 1 331.738 2.716 20 30 EFEDMM C#C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1F ZINC001609018981 1098113002 /nfs/dbraw/zinc/11/30/02/1098113002.db2.gz KFCGFVHWARSGRZ-CYBMUJFWSA-N -1 1 331.738 2.716 20 30 EFEDMM C=C(C)CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccccc1 ZINC001609051750 1098121486 /nfs/dbraw/zinc/12/14/86/1098121486.db2.gz SACNYJQKJSHKMB-UHFFFAOYSA-N -1 1 326.429 2.902 20 30 EFEDMM C=C(C)CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccccc1 ZINC001609051750 1098121490 /nfs/dbraw/zinc/12/14/90/1098121490.db2.gz SACNYJQKJSHKMB-UHFFFAOYSA-N -1 1 326.429 2.902 20 30 EFEDMM C=C(C)[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001609050972 1098121829 /nfs/dbraw/zinc/12/18/29/1098121829.db2.gz JWHKERUJWFBMBA-AWEZNQCLSA-N -1 1 343.341 2.973 20 30 EFEDMM C=C(C)[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001609050972 1098121833 /nfs/dbraw/zinc/12/18/33/1098121833.db2.gz JWHKERUJWFBMBA-AWEZNQCLSA-N -1 1 343.341 2.973 20 30 EFEDMM C=C(C)[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001609051409 1098121980 /nfs/dbraw/zinc/12/19/80/1098121980.db2.gz YLCHHLZKIAQNKR-MRXNPFEDSA-N -1 1 342.353 3.000 20 30 EFEDMM C=C(C)[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001609051409 1098121983 /nfs/dbraw/zinc/12/19/83/1098121983.db2.gz YLCHHLZKIAQNKR-MRXNPFEDSA-N -1 1 342.353 3.000 20 30 EFEDMM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(C#N)cc1 ZINC001609094971 1098142767 /nfs/dbraw/zinc/14/27/67/1098142767.db2.gz LMJRPFWMGCELLU-UHFFFAOYSA-N -1 1 336.355 2.634 20 30 EFEDMM COc1ccc([O-])c(C(=O)C=Cc2cccc(F)c2-c2nn[nH]n2)c1 ZINC001609358199 1098266033 /nfs/dbraw/zinc/26/60/33/1098266033.db2.gz GTQSGLJRRIPCBF-FNORWQNLSA-N -1 1 340.314 2.616 20 30 EFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc3nc(C)sc3c2)o1 ZINC001609446311 1098327729 /nfs/dbraw/zinc/32/77/29/1098327729.db2.gz WYKWOGNCTGSYQD-UHFFFAOYSA-N -1 1 340.372 2.527 20 30 EFEDMM C=CCN1C(=O)N=NC1S[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001609485024 1098352649 /nfs/dbraw/zinc/35/26/49/1098352649.db2.gz BTJMZAGQKVIXFR-LLVKDONJSA-N -1 1 339.804 2.611 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc(Cl)ccc3[O-])C2)C1=O ZINC001269685915 1098359511 /nfs/dbraw/zinc/35/95/11/1098359511.db2.gz GRMYMCGURGXCLG-GOSISDBHSA-N -1 1 348.830 2.686 20 30 EFEDMM N#CCCCOc1cccc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609495340 1098360655 /nfs/dbraw/zinc/36/06/55/1098360655.db2.gz DWCNMPPBXPLRFX-UHFFFAOYSA-N -1 1 341.400 2.618 20 30 EFEDMM N#CCCCOc1cccc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609495340 1098360661 /nfs/dbraw/zinc/36/06/61/1098360661.db2.gz DWCNMPPBXPLRFX-UHFFFAOYSA-N -1 1 341.400 2.618 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609499375 1098362576 /nfs/dbraw/zinc/36/25/76/1098362576.db2.gz MOUDMECYHBPXCA-CYBMUJFWSA-N -1 1 337.774 2.886 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609499375 1098362582 /nfs/dbraw/zinc/36/25/82/1098362582.db2.gz MOUDMECYHBPXCA-CYBMUJFWSA-N -1 1 337.774 2.886 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609499450 1098364271 /nfs/dbraw/zinc/36/42/71/1098364271.db2.gz QPTAOJUUQIXPTK-OAHLLOKOSA-N -1 1 347.338 2.746 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609499449 1098364289 /nfs/dbraw/zinc/36/42/89/1098364289.db2.gz QPTAOJUUQIXPTK-HNNXBMFYSA-N -1 1 347.338 2.746 20 30 EFEDMM O=C1C(=Cc2nc(-c3nnn[n-]3)cs2)CCc2cc(F)ccc21 ZINC001609585779 1098393017 /nfs/dbraw/zinc/39/30/17/1098393017.db2.gz FFYNWNQNLQHIBA-TWGQIWQCSA-N -1 1 327.344 2.675 20 30 EFEDMM O=C1C(=Cc2nc(-c3nn[n-]n3)cs2)CCc2cc(F)ccc21 ZINC001609585779 1098393023 /nfs/dbraw/zinc/39/30/23/1098393023.db2.gz FFYNWNQNLQHIBA-TWGQIWQCSA-N -1 1 327.344 2.675 20 30 EFEDMM C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001609634533 1098411093 /nfs/dbraw/zinc/41/10/93/1098411093.db2.gz FTYLUCRNQGOBOC-AWEZNQCLSA-N -1 1 343.427 2.548 20 30 EFEDMM CC1(C)OCc2cc(CN3CCC(C#N)(C(=O)[O-])CC3)ccc2O1 ZINC001609819758 1098467998 /nfs/dbraw/zinc/46/79/98/1098467998.db2.gz SQNAATPWYDJICJ-UHFFFAOYSA-N -1 1 330.384 2.522 20 30 EFEDMM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2ccc([O-])cc2Cl)C1=O ZINC001269983479 1098567000 /nfs/dbraw/zinc/56/70/00/1098567000.db2.gz RHXTZPAYHHIAPG-GOSISDBHSA-N -1 1 348.830 2.829 20 30 EFEDMM COc1cc(CN=Nc2cccc(F)c2C(=O)[O-])cc(OC)c1O ZINC001610293563 1098606073 /nfs/dbraw/zinc/60/60/73/1098606073.db2.gz HJIYENKIRYQDDV-UHFFFAOYSA-N -1 1 334.303 2.693 20 30 EFEDMM N#Cc1c(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC001610622925 1098787348 /nfs/dbraw/zinc/78/73/48/1098787348.db2.gz FTXKYUZEILUKSQ-LSDHHAIUSA-N -1 1 328.412 2.895 20 30 EFEDMM N#Cc1c(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC001610622918 1098787399 /nfs/dbraw/zinc/78/73/99/1098787399.db2.gz FTXKYUZEILUKSQ-CABCVRRESA-N -1 1 328.412 2.895 20 30 EFEDMM N#Cc1c(COC(=O)c2cc(-c3ccco3)n[nH]2)cccc1C(=O)[O-] ZINC001610624769 1098789210 /nfs/dbraw/zinc/78/92/10/1098789210.db2.gz FEGNCWZZXNVWCQ-UHFFFAOYSA-N -1 1 337.291 2.597 20 30 EFEDMM N#Cc1ccc2nc(NC(=O)c3ncc4ccccc4c3[O-])[nH]c2c1 ZINC001631012493 1100361234 /nfs/dbraw/zinc/36/12/34/1100361234.db2.gz WOQXCATVVBOARR-UHFFFAOYSA-N -1 1 329.319 2.941 20 30 EFEDMM O=C(C=Cc1ccc2c(c1)OCO2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000072673347 1102334016 /nfs/dbraw/zinc/33/40/16/1102334016.db2.gz SSGPJCQRJCLCIQ-DUXPYHPUSA-N -1 1 326.234 2.854 20 30 EFEDMM COCC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000905517312 1103298945 /nfs/dbraw/zinc/29/89/45/1103298945.db2.gz AUCGZOLKPLHJRI-AWEZNQCLSA-N -1 1 346.761 2.875 20 30 EFEDMM [O-]/N=C/c1cc(N[C@@H]2CCCN(C3COC3)C2)cc(C(F)(F)F)c1 ZINC001168375371 1103942331 /nfs/dbraw/zinc/94/23/31/1103942331.db2.gz ZYBUPKDWIKKHCO-PSSBTITNSA-N -1 1 343.349 2.789 20 30 EFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)cc1 ZINC000090166618 1106408537 /nfs/dbraw/zinc/40/85/37/1106408537.db2.gz WGRMIBRDKGQTTP-UHFFFAOYSA-N -1 1 338.392 2.944 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C ZINC000904000404 1107488637 /nfs/dbraw/zinc/48/86/37/1107488637.db2.gz SSOOVWRXGDJLRP-UHFFFAOYSA-N -1 1 329.381 2.626 20 30 EFEDMM C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc(F)ccc1[O-])CC2 ZINC001272386208 1108149493 /nfs/dbraw/zinc/14/94/93/1108149493.db2.gz CDCFINSAFILZDT-UHFFFAOYSA-N -1 1 346.402 2.562 20 30 EFEDMM C=CCC1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000899590862 1109400496 /nfs/dbraw/zinc/40/04/96/1109400496.db2.gz MUIVGEXRCNPLHY-UHFFFAOYSA-N -1 1 329.318 2.954 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000914599565 1111283297 /nfs/dbraw/zinc/28/32/97/1111283297.db2.gz JCJVPSUPUQCTHK-UHFFFAOYSA-N -1 1 333.800 2.803 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2cc3ccccc3o2)c2ccccc21 ZINC000914600854 1111283949 /nfs/dbraw/zinc/28/39/49/1111283949.db2.gz ZCVZAPRWWVCFCU-UHFFFAOYSA-N -1 1 325.349 2.505 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2csc3ccccc23)c2ccccc21 ZINC000914600873 1111284059 /nfs/dbraw/zinc/28/40/59/1111284059.db2.gz ZKNJGRIXFIXLNQ-UHFFFAOYSA-N -1 1 341.417 2.974 20 30 EFEDMM CCOC(=O)C1(C#N)CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949425 1119251355 /nfs/dbraw/zinc/25/13/55/1119251355.db2.gz LQUAWNQECBGQFS-UHFFFAOYSA-N -1 1 340.782 2.854 20 30 EFEDMM C#C[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000185339808 1120015472 /nfs/dbraw/zinc/01/54/72/1120015472.db2.gz FTNSPWDQYAPPII-JTQLQIEISA-N -1 1 344.317 2.674 20 30 EFEDMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccco1 ZINC000101576963 219141086 /nfs/dbraw/zinc/14/10/86/219141086.db2.gz HYBYYKFYSQJVHZ-MRXNPFEDSA-N -1 1 348.424 2.843 20 30 EFEDMM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccncc3[O-])o2)cc1 ZINC000358342175 283182926 /nfs/dbraw/zinc/18/29/26/283182926.db2.gz SRSBHWXDBIAISQ-UHFFFAOYSA-N -1 1 335.319 2.505 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1 ZINC000344355409 283185678 /nfs/dbraw/zinc/18/56/78/283185678.db2.gz LGHJOMLXGJVPCJ-UHFFFAOYSA-N -1 1 336.376 2.816 20 30 EFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000179028495 239454103 /nfs/dbraw/zinc/45/41/03/239454103.db2.gz XJLMKKIMPPMHGD-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000193326871 240094869 /nfs/dbraw/zinc/09/48/69/240094869.db2.gz PGZDORPBSWLQRR-NEPJUHHUSA-N -1 1 328.459 2.857 20 30 EFEDMM CC#CCN(C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000294709482 241050525 /nfs/dbraw/zinc/05/05/25/241050525.db2.gz XWGGYFQAOJPNJW-UHFFFAOYSA-N -1 1 344.289 2.598 20 30 EFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000321206239 241203576 /nfs/dbraw/zinc/20/35/76/241203576.db2.gz IABBHOHJUVSLJX-UHFFFAOYSA-N -1 1 330.409 2.712 20 30 EFEDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1csc(-c2nc[nH]n2)n1 ZINC000329306596 241346249 /nfs/dbraw/zinc/34/62/49/241346249.db2.gz BEBPTGRHIUCUMT-UHFFFAOYSA-N -1 1 344.404 2.661 20 30 EFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000331422660 241632372 /nfs/dbraw/zinc/63/23/72/241632372.db2.gz FHWGTCUWEFYGRS-QFYYESIMSA-N -1 1 334.445 2.595 20 30 EFEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1nnc2n1CCCCC2 ZINC000340073900 241779025 /nfs/dbraw/zinc/77/90/25/241779025.db2.gz FWPVYYIPGSFNHW-LLVKDONJSA-N -1 1 349.316 2.908 20 30 EFEDMM C=CCOc1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000359098999 242142888 /nfs/dbraw/zinc/14/28/88/242142888.db2.gz OREIRNIJYAFBJV-UHFFFAOYSA-N -1 1 345.424 2.707 20 30 EFEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc12 ZINC000359558134 242155899 /nfs/dbraw/zinc/15/58/99/242155899.db2.gz FMDARGOWDCGPAM-UHFFFAOYSA-N -1 1 340.408 2.749 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000360212588 242190385 /nfs/dbraw/zinc/19/03/85/242190385.db2.gz OYVRXTBZTOTELY-CQSZACIVSA-N -1 1 337.426 2.766 20 30 EFEDMM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1cnc2ccccc2n1 ZINC000361528983 242224618 /nfs/dbraw/zinc/22/46/18/242224618.db2.gz WVKWFOXPSZGRIT-AWEZNQCLSA-N -1 1 340.346 2.701 20 30 EFEDMM CC[C@H](C#N)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000362724498 242264411 /nfs/dbraw/zinc/26/44/11/242264411.db2.gz BDVVGOBOPWJAGX-MRVPVSSYSA-N -1 1 334.173 2.735 20 30 EFEDMM Cn1c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cc2nc1C1CC1 ZINC000412328426 243268975 /nfs/dbraw/zinc/26/89/75/243268975.db2.gz HOYOTTGIKXMNQY-UHFFFAOYSA-N -1 1 346.390 2.958 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1[O-] ZINC000412657099 243371596 /nfs/dbraw/zinc/37/15/96/243371596.db2.gz NFJUCEDSYMYVKX-HXUWFJFHSA-N -1 1 348.358 2.514 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000416959972 244935201 /nfs/dbraw/zinc/93/52/01/244935201.db2.gz QGXLQDSRQDSHRE-LBPRGKRZSA-N -1 1 348.453 2.707 20 30 EFEDMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000421989417 246202849 /nfs/dbraw/zinc/20/28/49/246202849.db2.gz NKPNGJKWKGXTGZ-DOMZBBRYSA-N -1 1 344.411 2.704 20 30 EFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000424215464 246700347 /nfs/dbraw/zinc/70/03/47/246700347.db2.gz NNBFKXDRBORKHI-SSDOTTSWSA-N -1 1 326.727 2.635 20 30 EFEDMM N#CC[C@H](CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000425295388 247030299 /nfs/dbraw/zinc/03/02/99/247030299.db2.gz FNYZSELFBSQRQB-CABCVRRESA-N -1 1 340.383 2.569 20 30 EFEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc12 ZINC000427295073 247335101 /nfs/dbraw/zinc/33/51/01/247335101.db2.gz LXDUXTRRZPIBHO-UHFFFAOYSA-N -1 1 344.371 2.693 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1F ZINC000427784803 247393812 /nfs/dbraw/zinc/39/38/12/247393812.db2.gz ZUCFFEWZPWCCIT-UHFFFAOYSA-N -1 1 342.355 2.888 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1F ZINC000427787873 247393835 /nfs/dbraw/zinc/39/38/35/247393835.db2.gz JXSYSECMKXNULN-UHFFFAOYSA-N -1 1 334.376 2.879 20 30 EFEDMM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)(C1CC1)C(F)(F)F ZINC000427778513 247394720 /nfs/dbraw/zinc/39/47/20/247394720.db2.gz MHMDPSIFOJXTIL-GFCCVEGCSA-N -1 1 336.310 2.707 20 30 EFEDMM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000436705558 249576002 /nfs/dbraw/zinc/57/60/02/249576002.db2.gz RRLOETVUDLWWQE-UHFFFAOYSA-N -1 1 347.292 2.762 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1 ZINC000012521058 211397305 /nfs/dbraw/zinc/39/73/05/211397305.db2.gz QNBSUUSOONLJDF-UHFFFAOYSA-N -1 1 341.392 2.708 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1[O-] ZINC000442672236 250101253 /nfs/dbraw/zinc/10/12/53/250101253.db2.gz PUEIKOYOYTVCHK-INIZCTEOSA-N -1 1 346.390 2.918 20 30 EFEDMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442662107 250096996 /nfs/dbraw/zinc/09/69/96/250096996.db2.gz DPIIJYLBUOVNDF-PIGZYNQJSA-N -1 1 328.343 2.909 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cc1[O-] ZINC000442670942 250098146 /nfs/dbraw/zinc/09/81/46/250098146.db2.gz KIVIBZZIJBKPFN-MRXNPFEDSA-N -1 1 332.363 2.701 20 30 EFEDMM CCOC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442940412 250142444 /nfs/dbraw/zinc/14/24/44/250142444.db2.gz KVQZVDIPFCXQMV-MRXNPFEDSA-N -1 1 338.363 2.688 20 30 EFEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](COC)Cc1ccccc1 ZINC000443273059 250178307 /nfs/dbraw/zinc/17/83/07/250178307.db2.gz LKDMSKNXFFOTEF-GOSISDBHSA-N -1 1 338.407 2.984 20 30 EFEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1CCCCC1 ZINC000443301441 250180963 /nfs/dbraw/zinc/18/09/63/250180963.db2.gz CBVSEKAJFRPABP-HNNXBMFYSA-N -1 1 330.384 2.506 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000095395401 218327479 /nfs/dbraw/zinc/32/74/79/218327479.db2.gz DLYWDCGFKKPCOY-UHFFFAOYSA-N -1 1 327.409 2.959 20 30 EFEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000315639142 141487986 /nfs/dbraw/zinc/48/79/86/141487986.db2.gz VSEQLRLLZRDRAG-UHFFFAOYSA-N -1 1 340.744 2.612 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000344767798 142074994 /nfs/dbraw/zinc/07/49/94/142074994.db2.gz INTQJPJKIZWRQY-CABCVRRESA-N -1 1 330.409 2.841 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000344810603 142082077 /nfs/dbraw/zinc/08/20/77/142082077.db2.gz ABXZPYJAFYFNIE-GXFFZTMASA-N -1 1 340.763 2.778 20 30 EFEDMM COc1ccccc1C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(C)C ZINC000344203143 145391163 /nfs/dbraw/zinc/39/11/63/145391163.db2.gz BYDZDAKWOSJXTH-HNNXBMFYSA-N -1 1 348.424 2.705 20 30 EFEDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000351499718 146132520 /nfs/dbraw/zinc/13/25/20/146132520.db2.gz PCGFCZIKWBRKDQ-UHFFFAOYSA-N -1 1 331.353 2.884 20 30 EFEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc12 ZINC000359565880 148125144 /nfs/dbraw/zinc/12/51/44/148125144.db2.gz XFXTVBQKGPDNTR-UHFFFAOYSA-N -1 1 326.381 2.554 20 30 EFEDMM N#Cc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cc1[O-] ZINC000188573297 265139409 /nfs/dbraw/zinc/13/94/09/265139409.db2.gz JOZJCOBGIVGLSF-MRXNPFEDSA-N -1 1 336.391 2.943 20 30 EFEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1[O-] ZINC000188706673 265149947 /nfs/dbraw/zinc/14/99/47/265149947.db2.gz QOANRKAOFJJQFZ-UHFFFAOYSA-N -1 1 337.335 2.977 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1[O-] ZINC000188724031 265151940 /nfs/dbraw/zinc/15/19/40/265151940.db2.gz LJLSERFFXWLHJU-FQEVSTJZSA-N -1 1 334.375 2.578 20 30 EFEDMM COC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C)c(C)c1 ZINC000189219242 265177561 /nfs/dbraw/zinc/17/75/61/265177561.db2.gz JUQWKGPSRGWYSC-QGZVFWFLSA-N -1 1 338.363 2.525 20 30 EFEDMM CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000332000759 265834951 /nfs/dbraw/zinc/83/49/51/265834951.db2.gz NWGPTVHQPMLXHX-UHFFFAOYSA-N -1 1 343.427 2.517 20 30 EFEDMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000330832324 266363499 /nfs/dbraw/zinc/36/34/99/266363499.db2.gz QMHGVUVRDAIBIX-SSDOTTSWSA-N -1 1 335.198 2.537 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(-n2cccn2)c1 ZINC000188594399 266959432 /nfs/dbraw/zinc/95/94/32/266959432.db2.gz YOULNUOQPJKEBR-CYBMUJFWSA-N -1 1 332.363 2.941 20 30 EFEDMM CCN(CCCNC(=O)c1ccc(C#N)c([O-])c1)C(=O)OC(C)(C)C ZINC000492607383 267064487 /nfs/dbraw/zinc/06/44/87/267064487.db2.gz HKBCSJWWRWDDCU-UHFFFAOYSA-N -1 1 347.415 2.641 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cc1[O-] ZINC000188419701 268044178 /nfs/dbraw/zinc/04/41/78/268044178.db2.gz FYYLLJIMOJBJRA-MRXNPFEDSA-N -1 1 339.370 2.802 20 30 EFEDMM N#Cc1cc(F)c(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c(F)c1 ZINC000157031300 293530840 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Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)nc(C)n1 ZINC000138637499 473221883 /nfs/dbraw/zinc/22/18/83/473221883.db2.gz BAMXSJQLKFKQFK-AWEZNQCLSA-N -1 1 335.342 2.908 20 30 EFEDMM CCn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000081687150 473243712 /nfs/dbraw/zinc/24/37/12/473243712.db2.gz XQOREWHLMKXRGD-OAHLLOKOSA-N -1 1 340.452 2.718 20 30 EFEDMM N#Cc1ccc(C(=O)NCCNc2nc3ccccc3s2)cc1[O-] ZINC000190466835 473283828 /nfs/dbraw/zinc/28/38/28/473283828.db2.gz ISOKDIVHBGZJMK-UHFFFAOYSA-N -1 1 338.392 2.715 20 30 EFEDMM N#C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2F)CCc2ccccc2C1 ZINC000185150854 473344408 /nfs/dbraw/zinc/34/44/08/473344408.db2.gz FCEMOWDQIHJVDK-QGZVFWFLSA-N -1 1 348.374 2.694 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000171268128 473345851 /nfs/dbraw/zinc/34/58/51/473345851.db2.gz NBTJDNGHHVIYIZ-UHFFFAOYSA-N -1 1 341.392 2.634 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)ncn2C ZINC000083577530 473351823 /nfs/dbraw/zinc/35/18/23/473351823.db2.gz 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/nfs/dbraw/zinc/06/35/67/473063567.db2.gz VQYJQFJFYFGMFG-UHFFFAOYSA-N -1 1 336.344 2.515 20 30 EFEDMM CCc1cc(=O)[n-]c(SCc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000191504289 473548106 /nfs/dbraw/zinc/54/81/06/473548106.db2.gz ZOKYEMQZGJFKFZ-UHFFFAOYSA-N -1 1 339.380 2.546 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000115312878 473554366 /nfs/dbraw/zinc/55/43/66/473554366.db2.gz MISJXUOBDBEXME-JOCHJYFZSA-N -1 1 348.449 2.546 20 30 EFEDMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000154070629 473664657 /nfs/dbraw/zinc/66/46/57/473664657.db2.gz AOFLZEIPHXIYIH-UHFFFAOYSA-N -1 1 339.417 2.756 20 30 EFEDMM CSc1nc(C)c(CCC(=O)N[C@](C)(C#N)C(C)(C)C)c(=O)[n-]1 ZINC000274292804 473775029 /nfs/dbraw/zinc/77/50/29/473775029.db2.gz CWALGSDEULVANG-MRXNPFEDSA-N -1 1 336.461 2.590 20 30 EFEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3CC#N)ccc2O1 ZINC000193357533 473783133 /nfs/dbraw/zinc/78/31/33/473783133.db2.gz BHFJMFBIJWJABO-LBPRGKRZSA-N -1 1 328.393 2.877 20 30 EFEDMM C=CCN(CC=C)C(=O)[C@H](C)O[N-]C(=O)CCCc1ccccc1 ZINC000269435869 473811695 /nfs/dbraw/zinc/81/16/95/473811695.db2.gz QZRGTXLCKPBJBR-INIZCTEOSA-N -1 1 330.428 2.646 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(C)nc2C2CCCCC2)c(=O)o1 ZINC000181386155 474030595 /nfs/dbraw/zinc/03/05/95/474030595.db2.gz IFEXQOLRYFPELH-IJDCCNJMSA-N -1 1 342.395 2.696 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cc1[O-] ZINC000188280500 474043160 /nfs/dbraw/zinc/04/31/60/474043160.db2.gz IFQSZBOQPUJXHW-UHFFFAOYSA-N -1 1 349.390 2.932 20 30 EFEDMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188294282 474048097 /nfs/dbraw/zinc/04/80/97/474048097.db2.gz VCFVSBOCBXCKLQ-UHFFFAOYSA-N -1 1 343.770 2.628 20 30 EFEDMM CN(CC[N-]C(=O)C(F)(F)c1c(F)cccc1F)CC(F)(F)F ZINC000270266355 474051677 /nfs/dbraw/zinc/05/16/77/474051677.db2.gz WYLHPWYAVCRCDC-UHFFFAOYSA-N -1 1 346.246 2.667 20 30 EFEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(C2CC2)no1 ZINC000188434131 474093755 /nfs/dbraw/zinc/09/37/55/474093755.db2.gz 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480105962 /nfs/dbraw/zinc/10/59/62/480105962.db2.gz YWSIJMRVIGTHJL-UHFFFAOYSA-N -1 1 343.431 2.835 20 30 EFEDMM C[C@H](CC#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271312400 474486636 /nfs/dbraw/zinc/48/66/36/474486636.db2.gz SRWTZJSZKWRCQB-MRVPVSSYSA-N -1 1 345.277 2.535 20 30 EFEDMM C=C(C)[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)OCC ZINC000271478915 474565178 /nfs/dbraw/zinc/56/51/78/474565178.db2.gz FGUZZXOOOOUHPT-AWEZNQCLSA-N -1 1 344.408 2.507 20 30 EFEDMM C=CCc1cc(CNCc2ccc(C(=O)[O-])c(C)n2)cc(OC)c1O ZINC000277237765 474581088 /nfs/dbraw/zinc/58/10/88/474581088.db2.gz JBHIXYUBZNLOTA-UHFFFAOYSA-N -1 1 342.395 2.821 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000337076310 474684106 /nfs/dbraw/zinc/68/41/06/474684106.db2.gz ZNEKNJFOZIDVKR-UHFFFAOYSA-N -1 1 340.273 2.653 20 30 EFEDMM N#CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000344505381 474756854 /nfs/dbraw/zinc/75/68/54/474756854.db2.gz SQTWULVDOFCIPU-UHFFFAOYSA-N -1 1 343.408 2.521 20 30 EFEDMM C[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000344585092 474766669 /nfs/dbraw/zinc/76/66/69/474766669.db2.gz RSUWAHVMGDKWLI-LBPRGKRZSA-N -1 1 329.381 2.586 20 30 EFEDMM N#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000344592839 474768664 /nfs/dbraw/zinc/76/86/64/474768664.db2.gz DHEUDPHOEWADOU-UHFFFAOYSA-N -1 1 343.408 2.521 20 30 EFEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000285036515 474870944 /nfs/dbraw/zinc/87/09/44/474870944.db2.gz IVHQGVPXBNPMGG-LLVKDONJSA-N -1 1 339.269 2.917 20 30 EFEDMM C=CCCCCNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292199543 474901050 /nfs/dbraw/zinc/90/10/50/474901050.db2.gz GLULMUYYUXPFKY-VXGBXAGGSA-N -1 1 335.370 2.584 20 30 EFEDMM C=C(C)CCc1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000285162712 474912231 /nfs/dbraw/zinc/91/22/31/474912231.db2.gz PRKKGJFWZSQGTL-JTQLQIEISA-N -1 1 327.431 2.679 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000324822885 474978084 /nfs/dbraw/zinc/97/80/84/474978084.db2.gz SPEOFSPXHHGHBX-UHFFFAOYSA-N -1 1 344.392 2.829 20 30 EFEDMM CC(C)(C#N)CCCCS(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000280097314 475009701 /nfs/dbraw/zinc/00/97/01/475009701.db2.gz XEYTUTOFCBGJNV-UHFFFAOYSA-N -1 1 346.456 2.889 20 30 EFEDMM CC(C)(C#N)CCCCS(=O)(=O)c1n[n-]c(Cc2ccccc2)n1 ZINC000280097314 475009714 /nfs/dbraw/zinc/00/97/14/475009714.db2.gz XEYTUTOFCBGJNV-UHFFFAOYSA-N -1 1 346.456 2.889 20 30 EFEDMM CNc1ccc(C#N)cc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000281100884 475071487 /nfs/dbraw/zinc/07/14/87/475071487.db2.gz FXMDMAWBGPLJKF-UHFFFAOYSA-N -1 1 339.399 2.954 20 30 EFEDMM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000286773529 475079096 /nfs/dbraw/zinc/07/90/96/475079096.db2.gz WOBIOEVWSOHELQ-CYBMUJFWSA-N -1 1 334.397 2.597 20 30 EFEDMM CCC(CC)CN(CCC#N)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295140470 475107174 /nfs/dbraw/zinc/10/71/74/475107174.db2.gz OOGRLKZTGODGKR-UHFFFAOYSA-N -1 1 331.445 2.810 20 30 EFEDMM CCOc1cc(C(=O)NC2CCN(C(C)=O)CC2)cc(Cl)c1[O-] ZINC000330589493 475257911 /nfs/dbraw/zinc/25/79/11/475257911.db2.gz NGAVULNQKBTZGW-UHFFFAOYSA-N -1 1 340.807 2.760 20 30 EFEDMM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1C#Cc1ccccc1 ZINC000337756120 475299085 /nfs/dbraw/zinc/29/90/85/475299085.db2.gz LVDVOAAJRWGGOI-OAHLLOKOSA-N -1 1 329.421 2.863 20 30 EFEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cc1[O-] ZINC000331354630 475344352 /nfs/dbraw/zinc/34/43/52/475344352.db2.gz PRVTYDRGPMYMKY-LBPRGKRZSA-N -1 1 327.306 2.595 20 30 EFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc(-c2ccccc2)[nH][nH]1 ZINC000352548411 475402188 /nfs/dbraw/zinc/40/21/88/475402188.db2.gz QTWODEJXIJSQHW-KRWDZBQOSA-N -1 1 341.374 2.691 20 30 EFEDMM Cc1ccnc(OC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000332111674 475516606 /nfs/dbraw/zinc/51/66/06/475516606.db2.gz JBDVNTJMCXACRE-UHFFFAOYSA-N -1 1 337.379 2.651 20 30 EFEDMM CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)no1 ZINC000332250745 475575025 /nfs/dbraw/zinc/57/50/25/475575025.db2.gz CGBAKOYGLJTGSG-CQSZACIVSA-N -1 1 340.383 2.790 20 30 EFEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(F)ccc([O-])c1F ZINC000342374281 475591686 /nfs/dbraw/zinc/59/16/86/475591686.db2.gz STUZKRXRZQOCKG-UHFFFAOYSA-N -1 1 337.322 2.974 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)COC3)n1 ZINC000352775537 475612343 /nfs/dbraw/zinc/61/23/43/475612343.db2.gz ZZCJHPUZHKINIX-CYBMUJFWSA-N -1 1 342.376 2.840 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCN[C@@H](c3cccc(Cl)c3)C2)cc1[O-] ZINC000338257352 475717268 /nfs/dbraw/zinc/71/72/68/475717268.db2.gz LKBVMGATRGTOLA-MRXNPFEDSA-N -1 1 341.798 2.704 20 30 EFEDMM CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000338264696 475727824 /nfs/dbraw/zinc/72/78/24/475727824.db2.gz AZYRHJCDVLTJQM-UHFFFAOYSA-N -1 1 344.411 2.848 20 30 EFEDMM COc1cc(C#N)ccc1OCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000346712710 475789346 /nfs/dbraw/zinc/78/93/46/475789346.db2.gz BXDZZKOSOWDZQI-UHFFFAOYSA-N -1 1 331.397 2.850 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000358839770 475979867 /nfs/dbraw/zinc/97/98/67/475979867.db2.gz SBKKSVNOCZLOMI-UHFFFAOYSA-N -1 1 338.392 2.853 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C#N)c2C)n1 ZINC000338582617 476027432 /nfs/dbraw/zinc/02/74/32/476027432.db2.gz VWUKJNFHAPEUGJ-CYBMUJFWSA-N -1 1 339.376 2.990 20 30 EFEDMM CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000359067330 476160695 /nfs/dbraw/zinc/16/06/95/476160695.db2.gz RUSVNDQSPFGYEV-UHFFFAOYSA-N -1 1 340.364 2.648 20 30 EFEDMM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357109556 476237803 /nfs/dbraw/zinc/23/78/03/476237803.db2.gz WDVPSOBZTAITCF-UHFFFAOYSA-N -1 1 345.380 2.576 20 30 EFEDMM CC#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000353952791 476334715 /nfs/dbraw/zinc/33/47/15/476334715.db2.gz RERPLVULOFBCGC-UHFFFAOYSA-N -1 1 342.420 2.631 20 30 EFEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000357477028 476406353 /nfs/dbraw/zinc/40/63/53/476406353.db2.gz UKAABBCRCOCODF-UHFFFAOYSA-N -1 1 348.355 2.675 20 30 EFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000351892970 476504645 /nfs/dbraw/zinc/50/46/45/476504645.db2.gz XIFQGQPMJUFBSB-RTHLEPHNSA-N -1 1 344.387 2.655 20 30 EFEDMM C=CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)co2)CCCCC1 ZINC000451944010 476736464 /nfs/dbraw/zinc/73/64/64/476736464.db2.gz YKCHZRSRDRYGDL-UHFFFAOYSA-N -1 1 327.402 2.624 20 30 EFEDMM N#Cc1ccc(C(=O)NC2(Cc3ccccc3)CCOCC2)cc1[O-] ZINC000456805827 476745544 /nfs/dbraw/zinc/74/55/44/476745544.db2.gz KDVSUMOLJLTYKY-UHFFFAOYSA-N -1 1 336.391 2.786 20 30 EFEDMM C=C(C)CN(C)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000370366077 476776517 /nfs/dbraw/zinc/77/65/17/476776517.db2.gz IVDDREGAYZSPOU-UHFFFAOYSA-N -1 1 326.400 2.520 20 30 EFEDMM Cc1noc(C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc2)n1 ZINC000430423910 476831200 /nfs/dbraw/zinc/83/12/00/476831200.db2.gz HKQUCHHSHKRLHQ-MRXNPFEDSA-N -1 1 348.362 2.669 20 30 EFEDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)CC(F)(F)F ZINC000402417997 476907317 /nfs/dbraw/zinc/90/73/17/476907317.db2.gz ANQGASIZMSVSNF-MRVPVSSYSA-N -1 1 326.365 2.877 20 30 EFEDMM CCOC(=O)c1cnc(NC(=O)C[C@@H](CC#N)c2ccccc2)[n-]1 ZINC000415647926 476947606 /nfs/dbraw/zinc/94/76/06/476947606.db2.gz NKJPECHKRGGUIK-CYBMUJFWSA-N -1 1 326.356 2.612 20 30 EFEDMM CCOC(=O)c1c[n-]c(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC000415647926 476947614 /nfs/dbraw/zinc/94/76/14/476947614.db2.gz NKJPECHKRGGUIK-CYBMUJFWSA-N -1 1 326.356 2.612 20 30 EFEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(OC)c1C ZINC000431163361 476987558 /nfs/dbraw/zinc/98/75/58/476987558.db2.gz NKESFMPOPYCHQW-UHFFFAOYSA-N -1 1 346.408 2.993 20 30 EFEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000431186228 476991777 /nfs/dbraw/zinc/99/17/77/476991777.db2.gz FONNXUKKYYBHGV-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCOCC2)o1 ZINC000376274566 477262653 /nfs/dbraw/zinc/26/26/53/477262653.db2.gz OUBPNHXMYZLROO-QGZVFWFLSA-N -1 1 346.408 2.597 20 30 EFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000424215465 477332991 /nfs/dbraw/zinc/33/29/91/477332991.db2.gz NNBFKXDRBORKHI-ZETCQYMHSA-N -1 1 326.727 2.635 20 30 EFEDMM Cc1nn(C)c(/C=C2\Oc3cc([O-])ccc3C2=O)c1Br ZINC000376435549 477334075 /nfs/dbraw/zinc/33/40/75/477334075.db2.gz TVMWWJDZQVECGU-SDQBBNPISA-N -1 1 335.157 2.813 20 30 EFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(OCc2cccnc2)c1 ZINC000416938001 477378400 /nfs/dbraw/zinc/37/84/00/477378400.db2.gz KGJLLPQIYRBAHK-MRXNPFEDSA-N -1 1 331.397 2.704 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000416944027 477381576 /nfs/dbraw/zinc/38/15/76/477381576.db2.gz CTQWABCGUVVGQS-LURJTMIESA-N -1 1 339.161 2.771 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000416957483 477386716 /nfs/dbraw/zinc/38/67/16/477386716.db2.gz KYNAZKPHEAIZTI-HNNXBMFYSA-N -1 1 349.456 2.665 20 30 EFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000416966047 477391769 /nfs/dbraw/zinc/39/17/69/477391769.db2.gz VCHKQJOMEQFFDH-VIFPVBQESA-N -1 1 340.298 2.811 20 30 EFEDMM COc1ccc([C@H](CCC(=O)[O-])NCc2cccc(C#N)n2)cc1 ZINC000417579159 477458091 /nfs/dbraw/zinc/45/80/91/477458091.db2.gz OVWZYWSKOWHQMV-KRWDZBQOSA-N -1 1 325.368 2.658 20 30 EFEDMM COCC1(C#N)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436736648 477575721 /nfs/dbraw/zinc/57/57/21/477575721.db2.gz JNNYTQYVZUSVGP-UHFFFAOYSA-N -1 1 342.317 2.803 20 30 EFEDMM N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3[O-])n2)c(Cl)c1 ZINC000436739775 477576691 /nfs/dbraw/zinc/57/66/91/477576691.db2.gz XGTBLGYGXICXHM-UHFFFAOYSA-N -1 1 338.754 2.777 20 30 EFEDMM N#Cc1cccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436912018 477632473 /nfs/dbraw/zinc/63/24/73/477632473.db2.gz BWZAFSSXNUPIGC-UHFFFAOYSA-N -1 1 339.742 2.955 20 30 EFEDMM N#Cc1cccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC000436912018 477632484 /nfs/dbraw/zinc/63/24/84/477632484.db2.gz BWZAFSSXNUPIGC-UHFFFAOYSA-N -1 1 339.742 2.955 20 30 EFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000456258588 477840805 /nfs/dbraw/zinc/84/08/05/477840805.db2.gz GFGQIQOYCTZLND-YPMHNXCESA-N -1 1 326.190 2.618 20 30 EFEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000456264583 477843979 /nfs/dbraw/zinc/84/39/79/477843979.db2.gz FUXLTMSRRIJWHT-OLZOCXBDSA-N -1 1 325.792 2.908 20 30 EFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451207358 477877213 /nfs/dbraw/zinc/87/72/13/477877213.db2.gz JSQWLQINYQNDHL-MRVPVSSYSA-N -1 1 347.209 2.703 20 30 EFEDMM CC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000451280271 477927052 /nfs/dbraw/zinc/92/70/52/477927052.db2.gz ZOAAQCCUSVYCLK-UHFFFAOYSA-N -1 1 347.209 2.538 20 30 EFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000439251749 477950384 /nfs/dbraw/zinc/95/03/84/477950384.db2.gz WYTCPGTTZYZKAD-UHFFFAOYSA-N -1 1 326.381 2.581 20 30 EFEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000439625822 478008832 /nfs/dbraw/zinc/00/88/32/478008832.db2.gz OKPGVBBUGYOQSR-UHFFFAOYSA-N -1 1 343.408 2.993 20 30 EFEDMM C[C@@H](CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)CO)c1ccccc1 ZINC000489437795 478245437 /nfs/dbraw/zinc/24/54/37/478245437.db2.gz ZDYSQZWCGHJUKD-GJZGRUSLSA-N -1 1 338.407 2.891 20 30 EFEDMM CC(C)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(=O)OC(C)(C)C ZINC000594394853 478361683 /nfs/dbraw/zinc/36/16/83/478361683.db2.gz SBOALHNPBGVBAR-CQSZACIVSA-N -1 1 332.400 2.608 20 30 EFEDMM Cc1cnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[n-]c1=O ZINC000581677884 478419668 /nfs/dbraw/zinc/41/96/68/478419668.db2.gz RSKMVEKGJYQGKF-XKZABGERSA-N -1 1 348.472 2.902 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000597604096 478429319 /nfs/dbraw/zinc/42/93/19/478429319.db2.gz JZVCEFINMVCUHX-KZNAEPCWSA-N -1 1 328.412 2.810 20 30 EFEDMM C#CCN(CC#CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000491219700 478475059 /nfs/dbraw/zinc/47/50/59/478475059.db2.gz GXZFALXAXIHLKI-UHFFFAOYSA-N -1 1 342.395 2.838 20 30 EFEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1F)C1CCCC1 ZINC000594705792 478504416 /nfs/dbraw/zinc/50/44/16/478504416.db2.gz MPZLIGWPSOCTII-HNNXBMFYSA-N -1 1 326.393 2.644 20 30 EFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1F)C1CCCC1 ZINC000594705794 478504935 /nfs/dbraw/zinc/50/49/35/478504935.db2.gz MPZLIGWPSOCTII-OAHLLOKOSA-N -1 1 326.393 2.644 20 30 EFEDMM CC(C)(CO)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000597845485 478537458 /nfs/dbraw/zinc/53/74/58/478537458.db2.gz HZNDICVBXVGJPH-HNNXBMFYSA-N -1 1 330.409 2.815 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000597844773 478537567 /nfs/dbraw/zinc/53/75/67/478537567.db2.gz BWBKWQAYJCFAFR-SFHVURJKSA-N -1 1 336.391 2.898 20 30 EFEDMM C=CCCSCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000594810548 478548740 /nfs/dbraw/zinc/54/87/40/478548740.db2.gz YWWMPOWYNKBKNS-UHFFFAOYSA-N -1 1 325.377 2.692 20 30 EFEDMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000591539767 478576591 /nfs/dbraw/zinc/57/65/91/478576591.db2.gz UPFGIVWFFKQAGW-DOMZBBRYSA-N -1 1 344.411 2.704 20 30 EFEDMM C#CCN(CC)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000491542570 478582700 /nfs/dbraw/zinc/58/27/00/478582700.db2.gz AWAUQLHVHGTBAJ-UHFFFAOYSA-N -1 1 333.185 2.798 20 30 EFEDMM C#C[C@@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccc(Cl)cc1 ZINC000491627913 478604463 /nfs/dbraw/zinc/60/44/63/478604463.db2.gz NYFQSSZRZHPXBK-GFCCVEGCSA-N -1 1 347.827 2.970 20 30 EFEDMM Cc1nc2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2o1 ZINC000572336540 478808216 /nfs/dbraw/zinc/80/82/16/478808216.db2.gz YWVQFZJMXAGUJA-ZDUSSCGKSA-N -1 1 335.367 2.944 20 30 EFEDMM CCN(CCOc1ccccc1OC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000598499927 478863406 /nfs/dbraw/zinc/86/34/06/478863406.db2.gz QTGKSCQGAJRIKN-UHFFFAOYSA-N -1 1 340.379 2.814 20 30 EFEDMM N#CC1([N-]S(=O)(=O)c2ncccc2C(F)(F)F)CCCCC1 ZINC000592382455 478875837 /nfs/dbraw/zinc/87/58/37/478875837.db2.gz OABUVISCYDZVMR-UHFFFAOYSA-N -1 1 333.335 2.605 20 30 EFEDMM C=CCC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)OCC ZINC000601620149 478911217 /nfs/dbraw/zinc/91/12/17/478911217.db2.gz JADUNLVYDBTZJV-ZDUSSCGKSA-N -1 1 325.792 2.602 20 30 EFEDMM N#Cc1ccc(-n2[n-]c3c(c2=O)CCN(Cc2ccccc2)C3)cc1 ZINC000601930923 479079276 /nfs/dbraw/zinc/07/92/76/479079276.db2.gz LCNVFLZGMOPWJE-GOSISDBHSA-N -1 1 330.391 2.783 20 30 EFEDMM N#Cc1cncc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)c1 ZINC000573498515 479079815 /nfs/dbraw/zinc/07/98/15/479079815.db2.gz KEVWSJYASPJJBK-UHFFFAOYSA-N -1 1 345.428 2.915 20 30 EFEDMM COc1cc(OC)c([N-]S(=O)(=O)CCC(C)(C)C#N)cc1F ZINC000568889795 479131580 /nfs/dbraw/zinc/13/15/80/479131580.db2.gz VXOPGAOYGUSTNJ-UHFFFAOYSA-N -1 1 330.381 2.524 20 30 EFEDMM C[C@H](C#N)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000584690987 479204554 /nfs/dbraw/zinc/20/45/54/479204554.db2.gz LXLUTXYCDWZALF-MRVPVSSYSA-N -1 1 334.173 2.592 20 30 EFEDMM N#Cc1cccc(CN2CCC(N=c3nc(C4CC4)[n-]s3)CC2)c1 ZINC000593515313 479372633 /nfs/dbraw/zinc/37/26/33/479372633.db2.gz LZVMTUAYRXUHIW-UHFFFAOYSA-N -1 1 339.468 2.786 20 30 EFEDMM COCC1(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)CC1 ZINC000603419299 479380008 /nfs/dbraw/zinc/38/00/08/479380008.db2.gz SVCKNYASLMYSGM-GFCCVEGCSA-N -1 1 340.470 2.859 20 30 EFEDMM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000588117391 479396425 /nfs/dbraw/zinc/39/64/25/479396425.db2.gz KGGRXVCZNPNDNB-DOTOQJQBSA-N -1 1 346.408 2.658 20 30 EFEDMM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000588117394 479396557 /nfs/dbraw/zinc/39/65/57/479396557.db2.gz KGGRXVCZNPNDNB-WBVHZDCISA-N -1 1 346.408 2.658 20 30 EFEDMM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000588117393 479396869 /nfs/dbraw/zinc/39/68/69/479396869.db2.gz KGGRXVCZNPNDNB-RDJZCZTQSA-N -1 1 346.408 2.658 20 30 EFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000588942822 479461857 /nfs/dbraw/zinc/46/18/57/479461857.db2.gz NQAIVUGYRPGEIP-VIFPVBQESA-N -1 1 349.225 2.805 20 30 EFEDMM COc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1OC(F)F ZINC000589160043 479486943 /nfs/dbraw/zinc/48/69/43/479486943.db2.gz IRXCQIWYUKCIFG-UHFFFAOYSA-N -1 1 348.305 2.804 20 30 EFEDMM COCCn1ncc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc21 ZINC000589171863 479490215 /nfs/dbraw/zinc/49/02/15/479490215.db2.gz USTJBHTVOGBOSM-UHFFFAOYSA-N -1 1 336.351 2.512 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Br)cc2O)c1 ZINC000589168592 479491233 /nfs/dbraw/zinc/49/12/33/479491233.db2.gz DCWAFMULPHYFLW-UHFFFAOYSA-N -1 1 333.141 2.984 20 30 EFEDMM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000589173257 479491294 /nfs/dbraw/zinc/49/12/94/479491294.db2.gz WWBBNYWJPWGOHG-UHFFFAOYSA-N -1 1 338.363 2.700 20 30 EFEDMM CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589186448 479492207 /nfs/dbraw/zinc/49/22/07/479492207.db2.gz BMSMPCDSZRKZOI-UHFFFAOYSA-N -1 1 346.390 2.781 20 30 EFEDMM CC(C)(C)OC(=O)CCCCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589187584 479492559 /nfs/dbraw/zinc/49/25/59/479492559.db2.gz ATCHFBDXZIWOHC-UHFFFAOYSA-N -1 1 332.400 2.896 20 30 EFEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1noc(Cc2ccccc2)n1 ZINC000589188057 479493686 /nfs/dbraw/zinc/49/36/86/479493686.db2.gz KZPUXLCDXSYONX-LBPRGKRZSA-N -1 1 348.362 2.729 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000589189785 479494924 /nfs/dbraw/zinc/49/49/24/479494924.db2.gz SAUDKJGUKKXTHQ-LLVKDONJSA-N -1 1 334.335 2.805 20 30 EFEDMM CC[C@@H](C)Oc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccn1 ZINC000589197970 479496350 /nfs/dbraw/zinc/49/63/50/479496350.db2.gz HAVOQLVYEVWRAM-GFCCVEGCSA-N -1 1 325.368 2.766 20 30 EFEDMM CC(C)(C)Oc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000589197868 479496531 /nfs/dbraw/zinc/49/65/31/479496531.db2.gz KAJBYCCWDMJXIK-UHFFFAOYSA-N -1 1 325.368 2.766 20 30 EFEDMM CCOc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)CCO2 ZINC000589207628 479499736 /nfs/dbraw/zinc/49/97/36/479499736.db2.gz KXFQNYDHXHNNPJ-KRWDZBQOSA-N -1 1 338.363 2.916 20 30 EFEDMM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(F)cccc1F ZINC000618716931 479563709 /nfs/dbraw/zinc/56/37/09/479563709.db2.gz TZBZVEIZTSETBI-OAHLLOKOSA-N -1 1 334.347 2.802 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1 ZINC000618939795 479647464 /nfs/dbraw/zinc/64/74/64/479647464.db2.gz AHNGDAQWFKDMRF-UHFFFAOYSA-N -1 1 325.299 2.540 20 30 EFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000619461339 479799786 /nfs/dbraw/zinc/79/97/86/479799786.db2.gz OJKFZWIUNBMPKK-UHFFFAOYSA-N -1 1 344.392 2.715 20 30 EFEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619461620 479799961 /nfs/dbraw/zinc/79/99/61/479799961.db2.gz GHNXRNOXKFFLLU-UHFFFAOYSA-N -1 1 343.408 2.820 20 30 EFEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461129 479800159 /nfs/dbraw/zinc/80/01/59/479800159.db2.gz CKNNMJCLASBPTJ-UHFFFAOYSA-N -1 1 329.381 2.512 20 30 EFEDMM C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616176350 479843898 /nfs/dbraw/zinc/84/38/98/479843898.db2.gz HKXQNCXMCVXAKJ-KUHUBIRLSA-N -1 1 335.407 2.514 20 30 EFEDMM Cc1nc2ccccc2n1CCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293895 480256300 /nfs/dbraw/zinc/25/63/00/480256300.db2.gz DUZJWQKNNQDWPS-UHFFFAOYSA-N -1 1 334.379 2.742 20 30 EFEDMM Cc1cc(C)c(NC(=O)CNC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000614295276 480257635 /nfs/dbraw/zinc/25/76/35/480257635.db2.gz CDJSJFRYPQZVBB-UHFFFAOYSA-N -1 1 337.379 2.558 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000614296494 480258348 /nfs/dbraw/zinc/25/83/48/480258348.db2.gz BXWMATIFQRBMHJ-UHFFFAOYSA-N -1 1 339.742 2.955 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)c1 ZINC000614296578 480258372 /nfs/dbraw/zinc/25/83/72/480258372.db2.gz IZDPKXOKRSFEBW-UHFFFAOYSA-N -1 1 337.257 2.852 20 30 EFEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000614365800 480283208 /nfs/dbraw/zinc/28/32/08/480283208.db2.gz KVMWIZJEIARDSK-CYBMUJFWSA-N -1 1 349.390 2.882 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000614369186 480284698 /nfs/dbraw/zinc/28/46/98/480284698.db2.gz CQOAMHXMKMGFNA-DAXSKMNVSA-N -1 1 347.418 2.735 20 30 EFEDMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614368502 480285376 /nfs/dbraw/zinc/28/53/76/480285376.db2.gz WVKXGUUUNWZYER-UHFFFAOYSA-N -1 1 331.278 2.753 20 30 EFEDMM Cn1c(CCCNC(=O)c2cc([O-])cc(C#N)c2)nc2ccccc21 ZINC000614370026 480286217 /nfs/dbraw/zinc/28/62/17/480286217.db2.gz WRHXEHUHKYHAFM-UHFFFAOYSA-N -1 1 334.379 2.513 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)NCc2nnc(-c3ccccc3)s2)c1 ZINC000614371712 480286245 /nfs/dbraw/zinc/28/62/45/480286245.db2.gz CXFVRJCUHUXTBE-UHFFFAOYSA-N -1 1 336.376 2.712 20 30 EFEDMM C=CC[C@H](CC)NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000626850282 480564128 /nfs/dbraw/zinc/56/41/28/480564128.db2.gz CMIKIZIQOGRAJN-NSHDSACASA-N -1 1 330.384 2.630 20 30 EFEDMM N#Cc1ccc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000624241120 480673525 /nfs/dbraw/zinc/67/35/25/480673525.db2.gz UMEOVRWNBKITSN-UHFFFAOYSA-N -1 1 348.402 2.928 20 30 EFEDMM C=CCC(C)(C)CNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000627519270 480767512 /nfs/dbraw/zinc/76/75/12/480767512.db2.gz OTYVIHZJYLMFOY-UHFFFAOYSA-N -1 1 344.411 2.877 20 30 EFEDMM CC#CC[C@H](CO)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000645884773 480949327 /nfs/dbraw/zinc/94/93/27/480949327.db2.gz QJXNGNLVPFXKBW-SNVBAGLBSA-N -1 1 343.857 2.607 20 30 EFEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000362587821 534500606 /nfs/dbraw/zinc/50/06/06/534500606.db2.gz NGIABJXPHCUIKW-CYBMUJFWSA-N -1 1 330.409 2.792 20 30 EFEDMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000077966225 520920495 /nfs/dbraw/zinc/92/04/95/520920495.db2.gz BTRRYYKQZHWJFD-UHFFFAOYSA-N -1 1 344.440 2.909 20 30 EFEDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(F)c1 ZINC000120564763 525305470 /nfs/dbraw/zinc/30/54/70/525305470.db2.gz SLOQCYHIGOLSAC-UHFFFAOYSA-N -1 1 335.316 2.715 20 30 EFEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C)OCO2 ZINC000180355115 525611336 /nfs/dbraw/zinc/61/13/36/525611336.db2.gz XVLGNQLGBOEXIV-UHFFFAOYSA-N -1 1 330.365 2.705 20 30 EFEDMM C=CCOCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000365648674 534871635 /nfs/dbraw/zinc/87/16/35/534871635.db2.gz UWOIJRCDEVKSQM-UHFFFAOYSA-N -1 1 331.412 2.796 20 30 EFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000180356262 526011719 /nfs/dbraw/zinc/01/17/19/526011719.db2.gz WSBDXKMMGOWNJE-UHFFFAOYSA-N -1 1 330.365 2.705 20 30 EFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1F ZINC000076839288 526574031 /nfs/dbraw/zinc/57/40/31/526574031.db2.gz HUUOYVLHTSFOBL-UHFFFAOYSA-N -1 1 348.355 2.659 20 30 EFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(Cl)c1 ZINC000181117896 526685655 /nfs/dbraw/zinc/68/56/55/526685655.db2.gz NASHGOYTMHBMKW-UHFFFAOYSA-N -1 1 336.756 2.711 20 30 EFEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000288566122 535092742 /nfs/dbraw/zinc/09/27/42/535092742.db2.gz KGFFXUYHNCYYBM-JTQLQIEISA-N -1 1 349.225 2.805 20 30 EFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000681551878 549565594 /nfs/dbraw/zinc/56/55/94/549565594.db2.gz XEPZAEJDYUHLMK-UHFFFAOYSA-N -1 1 334.375 2.999 20 30 EFEDMM O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)nn2)ccc1[O-] ZINC000754710982 575475295 /nfs/dbraw/zinc/47/52/95/575475295.db2.gz PMLGNGBZTBGZPG-UHFFFAOYSA-N -1 1 327.222 2.555 20 30 EFEDMM Cc1cc(NN=Cc2cc(O)cc(Br)c2[O-])nc(C)n1 ZINC000755648840 575613446 /nfs/dbraw/zinc/61/34/46/575613446.db2.gz QSZAJRYHMLQJHX-UHFFFAOYSA-N -1 1 337.177 2.713 20 30 EFEDMM Cc1cccc(C)c1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000755764000 575629534 /nfs/dbraw/zinc/62/95/34/575629534.db2.gz TWKHZROHZVCMNZ-UHFFFAOYSA-N -1 1 333.369 2.524 20 30 EFEDMM COCCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2OC)c1 ZINC000756898918 575798502 /nfs/dbraw/zinc/79/85/02/575798502.db2.gz HWVRPURZIGCBTJ-UHFFFAOYSA-N -1 1 344.367 2.865 20 30 EFEDMM COc1cccc(OC)c1CN=Nc1ccc(C(=O)[O-])cc1OC ZINC000756901087 575798964 /nfs/dbraw/zinc/79/89/64/575798964.db2.gz JCSQAIYZKUMRGW-UHFFFAOYSA-N -1 1 330.340 2.857 20 30 EFEDMM COc1ccc(O)c(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000756905544 575799709 /nfs/dbraw/zinc/79/97/09/575799709.db2.gz CMPXFKQVNQXQFO-UHFFFAOYSA-N -1 1 330.340 2.944 20 30 EFEDMM CC(=NNc1ccccc1S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000757464506 575839835 /nfs/dbraw/zinc/83/98/35/575839835.db2.gz AQYDSZNKLCXPFW-UHFFFAOYSA-N -1 1 340.351 2.910 20 30 EFEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1 ZINC000757472545 575840065 /nfs/dbraw/zinc/84/00/65/575840065.db2.gz KDACJFCBXNGRED-DAFODLJHSA-N -1 1 326.304 2.758 20 30 EFEDMM Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)ccc1-n1cncn1 ZINC000757475151 575840345 /nfs/dbraw/zinc/84/03/45/575840345.db2.gz YJKJREWHWQLUQB-ZZXKWVIFSA-N -1 1 349.346 2.876 20 30 EFEDMM C=CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccncc1 ZINC000757890168 575855269 /nfs/dbraw/zinc/85/52/69/575855269.db2.gz KJYASMDOJNXCMC-HNNXBMFYSA-N -1 1 349.362 2.827 20 30 EFEDMM O=S1(=O)[N-]C(=NN=Cc2cc3ccccc3s2)c2ccccc21 ZINC000758372144 575868000 /nfs/dbraw/zinc/86/80/00/575868000.db2.gz IRYVENYWAQDLCJ-UHFFFAOYSA-N -1 1 341.417 2.974 20 30 EFEDMM N#CCc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000758695803 575875755 /nfs/dbraw/zinc/87/57/55/575875755.db2.gz LHNQJGKXFBVCMG-UHFFFAOYSA-N -1 1 335.315 2.922 20 30 EFEDMM N#CCOc1cccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000760350363 576010028 /nfs/dbraw/zinc/01/00/28/576010028.db2.gz FVYUUYGVXSEDOL-UHFFFAOYSA-N -1 1 348.362 2.866 20 30 EFEDMM Cc1cc([O-])c(C(=O)C=Cc2nc3ccc(F)cc3s2)c(=O)o1 ZINC000761476144 576167717 /nfs/dbraw/zinc/16/77/17/576167717.db2.gz RKUKZJJAODILRU-RGDDUWESSA-N -1 1 331.324 2.664 20 30 EFEDMM C#CCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000765409340 577039247 /nfs/dbraw/zinc/03/92/47/577039247.db2.gz KICZABIBFWYUBT-UHFFFAOYSA-N -1 1 329.377 2.668 20 30 EFEDMM O=C([O-])c1ccc2c(C=NNc3cnnc4ccccc43)n[nH]c2c1 ZINC000765577387 577055742 /nfs/dbraw/zinc/05/57/42/577055742.db2.gz NLZQNZVWNBXHCV-UHFFFAOYSA-N -1 1 332.323 2.650 20 30 EFEDMM N#Cc1ccc(C(=O)NCc2cccc(Br)c2O)cc1[O-] ZINC000765758463 577073357 /nfs/dbraw/zinc/07/33/57/577073357.db2.gz XKZJTXYLUMSCOM-UHFFFAOYSA-N -1 1 347.168 2.662 20 30 EFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000766477860 577156168 /nfs/dbraw/zinc/15/61/68/577156168.db2.gz KPUGGHFYFIBNQM-UHFFFAOYSA-N -1 1 342.355 2.741 20 30 EFEDMM CCCCCCOc1cccc(C=Nn2c(=O)cn[n-]c2=S)c1 ZINC000766482374 577157070 /nfs/dbraw/zinc/15/70/70/577157070.db2.gz JSEFHLFZVWSNHU-UHFFFAOYSA-N -1 1 332.429 2.768 20 30 EFEDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2C1 ZINC000766571484 577167746 /nfs/dbraw/zinc/16/77/46/577167746.db2.gz RJEVNTLTCLQRBP-KRWDZBQOSA-N -1 1 342.420 2.781 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=Cc2cnn(Cc3ccccc3Cl)c2)n1 ZINC000767013576 577192146 /nfs/dbraw/zinc/19/21/46/577192146.db2.gz BXVWMXUNYNAQOP-UHFFFAOYSA-N -1 1 342.790 2.835 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000767740867 577231182 /nfs/dbraw/zinc/23/11/82/577231182.db2.gz WLOLXPILZGGQHW-UHFFFAOYSA-N -1 1 347.392 2.517 20 30 EFEDMM C[C@H]1CCC[C@H](C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000768367022 577268937 /nfs/dbraw/zinc/26/89/37/577268937.db2.gz LXJIYKHPNVLSRQ-RYUDHWBXSA-N -1 1 325.390 2.685 20 30 EFEDMM C[C@@H]1CCC[C@H](C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000768367017 577268947 /nfs/dbraw/zinc/26/89/47/577268947.db2.gz LXJIYKHPNVLSRQ-NEPJUHHUSA-N -1 1 325.390 2.685 20 30 EFEDMM CCNc1nc(N=NC(C)c2ccc([O-])c(Cl)c2)nc(NCC)n1 ZINC000768767546 577300116 /nfs/dbraw/zinc/30/01/16/577300116.db2.gz IYRNTALSGZCMAR-UHFFFAOYSA-N -1 1 349.826 2.930 20 30 EFEDMM CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000768768325 577300184 /nfs/dbraw/zinc/30/01/84/577300184.db2.gz NMRGFKXUERBSCH-UHFFFAOYSA-N -1 1 338.816 2.889 20 30 EFEDMM CC(N=Nc1ccc(-n2cccn2)nn1)c1ccc([O-])c(Cl)c1 ZINC000768773811 577301004 /nfs/dbraw/zinc/30/10/04/577301004.db2.gz QMIFMRSLLHCNLQ-UHFFFAOYSA-N -1 1 328.763 2.857 20 30 EFEDMM Cc1c2c(nc(SCCC[N-]C(=O)C(F)(F)F)c1C#N)CCC2 ZINC000769288820 577349356 /nfs/dbraw/zinc/34/93/56/577349356.db2.gz VLPQUSLHBVBZIU-UHFFFAOYSA-N -1 1 343.374 2.911 20 30 EFEDMM O=S1(=O)[N-]C(=NN=C2CC[C@H]2c2ccccc2)c2ccccc21 ZINC000769779353 577384559 /nfs/dbraw/zinc/38/45/59/577384559.db2.gz CGLVVSSJTNBBNT-ZDUSSCGKSA-N -1 1 325.393 2.659 20 30 EFEDMM CO[C@@H]1CCCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769807743 577386955 /nfs/dbraw/zinc/38/69/55/577386955.db2.gz SJMAGAGQUWARJM-GFCCVEGCSA-N -1 1 332.408 2.644 20 30 EFEDMM CC(CCc1cccc(F)c1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769809527 577387039 /nfs/dbraw/zinc/38/70/39/577387039.db2.gz WVMJGVBNIBJZFX-UHFFFAOYSA-N -1 1 328.351 2.629 20 30 EFEDMM CC(Cc1ccncc1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769812293 577387241 /nfs/dbraw/zinc/38/72/41/577387241.db2.gz LRLHVXVUWDWYIN-UHFFFAOYSA-N -1 1 339.403 2.712 20 30 EFEDMM Cn1ncc2c1nc(N=NC1c3ccccc3-c3ccccc31)[n-]c2=O ZINC000769817421 577387567 /nfs/dbraw/zinc/38/75/67/577387567.db2.gz AKMCUNABAJQDDF-UHFFFAOYSA-N -1 1 342.362 2.914 20 30 EFEDMM C#CCOc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000771574933 581223956 /nfs/dbraw/zinc/22/39/56/581223956.db2.gz IGCXDBXALIBLJT-UHFFFAOYSA-N -1 1 347.168 2.814 20 30 EFEDMM O=C([O-])COc1cccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000772796247 581369458 /nfs/dbraw/zinc/36/94/58/581369458.db2.gz GHAORTZDCKHIGM-QPJJXVBHSA-N -1 1 343.291 2.660 20 30 EFEDMM CCCCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC ZINC000772820208 581371814 /nfs/dbraw/zinc/37/18/14/581371814.db2.gz DWTHFROXJBLTSX-AWEZNQCLSA-N -1 1 344.477 2.502 20 30 EFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000773055765 581391639 /nfs/dbraw/zinc/39/16/39/581391639.db2.gz JTQHCKIDPVIAPI-HTQZYQBOSA-N -1 1 340.253 2.514 20 30 EFEDMM COc1cc(F)cc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000773070162 581393426 /nfs/dbraw/zinc/39/34/26/581393426.db2.gz YAWPFKIRFJUAGQ-UHFFFAOYSA-N -1 1 335.291 2.903 20 30 EFEDMM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(F)c1 ZINC000773974651 581476187 /nfs/dbraw/zinc/47/61/87/581476187.db2.gz IPQAPJXCTVFQRJ-CQSZACIVSA-N -1 1 340.310 2.573 20 30 EFEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)c1 ZINC000774044359 581480112 /nfs/dbraw/zinc/48/01/12/581480112.db2.gz UTUQCTADSQATPN-ZDUSSCGKSA-N -1 1 329.381 2.730 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(COC)cc2)c1 ZINC000774617587 581495301 /nfs/dbraw/zinc/49/53/01/581495301.db2.gz BCVDGSYFUPAFFL-UHFFFAOYSA-N -1 1 331.393 2.646 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736443586 598995395 /nfs/dbraw/zinc/99/53/95/598995395.db2.gz AJLXFTIWYDIZDI-CYBMUJFWSA-N -1 1 330.436 2.988 20 30 EFEDMM CCCCCCC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736443586 598995396 /nfs/dbraw/zinc/99/53/96/598995396.db2.gz AJLXFTIWYDIZDI-CYBMUJFWSA-N -1 1 330.436 2.988 20 30 EFEDMM Cc1cc(NN=Cc2ccc(-c3nnn[n-]3)o2)ccc1Br ZINC000822209751 599337418 /nfs/dbraw/zinc/33/74/18/599337418.db2.gz VHCBEDLYFYKZMO-UHFFFAOYSA-N -1 1 347.176 2.977 20 30 EFEDMM Cc1cc(NN=Cc2ccc(-c3nn[n-]n3)o2)ccc1Br ZINC000822209751 599337419 /nfs/dbraw/zinc/33/74/19/599337419.db2.gz VHCBEDLYFYKZMO-UHFFFAOYSA-N -1 1 347.176 2.977 20 30 EFEDMM C=CCOc1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000819758680 599201180 /nfs/dbraw/zinc/20/11/80/599201180.db2.gz FSXNDKXDSKWDCP-UHFFFAOYSA-N -1 1 328.353 2.712 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820374021 598148645 /nfs/dbraw/zinc/14/86/45/598148645.db2.gz JUBWKEFIWLYXEI-LLVKDONJSA-N -1 1 344.348 2.508 20 30 EFEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820374407 598160341 /nfs/dbraw/zinc/16/03/41/598160341.db2.gz QCDBSMJNXWXHAU-NSHDSACASA-N -1 1 344.348 2.508 20 30 EFEDMM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1F ZINC000737261996 598787538 /nfs/dbraw/zinc/78/75/38/598787538.db2.gz JOOCTKBPXRKDRD-UHFFFAOYSA-N -1 1 329.339 2.872 20 30 EFEDMM N#Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000739129548 600104083 /nfs/dbraw/zinc/10/40/83/600104083.db2.gz XCUJBPRPSHNAMW-UHFFFAOYSA-N -1 1 326.352 2.893 20 30 EFEDMM COc1ccc(-c2nc(SCCCC(=O)[O-])[nH]c(=O)c2C#N)cc1 ZINC000737911244 600273807 /nfs/dbraw/zinc/27/38/07/600273807.db2.gz DGBPCBGCDQEPEH-UHFFFAOYSA-N -1 1 345.380 2.686 20 30 EFEDMM CC[C@](C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736864773 600563874 /nfs/dbraw/zinc/56/38/74/600563874.db2.gz XFKBGQYBMKLOSS-KRWDZBQOSA-N -1 1 349.456 2.670 20 30 EFEDMM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000737506224 601031185 /nfs/dbraw/zinc/03/11/85/601031185.db2.gz MWYLLZUVLWTQSP-BGARDKSCSA-N -1 1 342.439 2.664 20 30 EFEDMM N#C[C@H](c1ccccc1)N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833064924 601139696 /nfs/dbraw/zinc/13/96/96/601139696.db2.gz PABWNTSUBOPMGD-MOPGFXCFSA-N -1 1 335.407 2.695 20 30 EFEDMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000827717909 601301910 /nfs/dbraw/zinc/30/19/10/601301910.db2.gz MVJKRRJCRSPKDM-BZNIZROVSA-N -1 1 325.324 2.943 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000825702274 601500709 /nfs/dbraw/zinc/50/07/09/601500709.db2.gz HMRRNUIZKOKBAO-CHWSQXEVSA-N -1 1 334.441 2.556 20 30 EFEDMM C=CCSc1ccccc1NC(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000825702277 601501192 /nfs/dbraw/zinc/50/11/92/601501192.db2.gz HMRRNUIZKOKBAO-STQMWFEESA-N -1 1 334.441 2.556 20 30 EFEDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000828023814 601933534 /nfs/dbraw/zinc/93/35/34/601933534.db2.gz CSEHYXIEPOQUBJ-LJQANCHMSA-N -1 1 339.395 2.534 20 30 EFEDMM C[C@H](Oc1ccc(CN=Nc2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000794896175 602072406 /nfs/dbraw/zinc/07/24/06/602072406.db2.gz WJTCETGFYJOMIE-LBPRGKRZSA-N -1 1 338.367 2.871 20 30 EFEDMM COc1cc(OC)cc([C@@H](NCc2cc(C#N)ccc2F)C(=O)[O-])c1 ZINC000832056472 602175174 /nfs/dbraw/zinc/17/51/74/602175174.db2.gz DAEBECVCXQBBNQ-QGZVFWFLSA-N -1 1 344.342 2.630 20 30 EFEDMM N#CCCCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833061594 604358993 /nfs/dbraw/zinc/35/89/93/604358993.db2.gz DVCCVHSRXOXBFJ-INIZCTEOSA-N -1 1 335.835 2.777 20 30 EFEDMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCCC#N)CC2 ZINC000832103620 604422331 /nfs/dbraw/zinc/42/23/31/604422331.db2.gz UOSYCCIXGZEOHM-OAHLLOKOSA-N -1 1 332.400 2.772 20 30 EFEDMM C=CCOc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1OC ZINC000833377558 604659337 /nfs/dbraw/zinc/65/93/37/604659337.db2.gz BQKDIJUCJTYQMF-CQSZACIVSA-N -1 1 337.441 2.652 20 30 EFEDMM CC(N=Nc1ccc(Cl)cc1Cl)c1cn(CC(=O)[O-])nn1 ZINC000825809056 604783254 /nfs/dbraw/zinc/78/32/54/604783254.db2.gz LHRDDTZCKMVJKM-UHFFFAOYSA-N -1 1 328.159 2.506 20 30 EFEDMM C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409554 604928439 /nfs/dbraw/zinc/92/84/39/604928439.db2.gz OSJIYVDCOIVEPT-DZGCQCFKSA-N -1 1 343.427 2.708 20 30 EFEDMM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccnc2)cc(OC)c1OC ZINC000825705288 604996914 /nfs/dbraw/zinc/99/69/14/604996914.db2.gz AUXZWZRYUUHVRZ-QGZVFWFLSA-N -1 1 342.395 2.743 20 30 EFEDMM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(Br)nc1 ZINC000833408147 605040245 /nfs/dbraw/zinc/04/02/45/605040245.db2.gz WYZDCKFNPAHXON-VIFPVBQESA-N -1 1 337.177 2.737 20 30 EFEDMM CC[C@H](C#N)Oc1cc(CNCc2ccoc2C(=O)[O-])ccc1OC ZINC000833635903 605095324 /nfs/dbraw/zinc/09/53/24/605095324.db2.gz BYRDRRJLRXXGFT-CQSZACIVSA-N -1 1 344.367 2.957 20 30 EFEDMM C#CC[C@H](NCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000833360573 605134059 /nfs/dbraw/zinc/13/40/59/605134059.db2.gz MEFZCADPXKNWRK-KRWDZBQOSA-N -1 1 336.391 2.986 20 30 EFEDMM C=C(Br)CN[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833367733 605299667 /nfs/dbraw/zinc/29/96/67/605299667.db2.gz SPXBRRODVFJGQU-JTQLQIEISA-N -1 1 341.205 2.600 20 30 EFEDMM C=CCN1C(=O)N=NC1SCc1cc(C(=O)[O-])ccc1Cl ZINC000833380862 605861067 /nfs/dbraw/zinc/86/10/67/605861067.db2.gz QRILKWVHVSHKKE-UHFFFAOYSA-N -1 1 325.777 2.814 20 30 EFEDMM COc1ccc([C@H](C)C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC000821777399 606166386 /nfs/dbraw/zinc/16/63/86/606166386.db2.gz DZOWZYWOLXZIFN-SECBINFHSA-N -1 1 341.375 2.763 20 30 EFEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819746107 606528798 /nfs/dbraw/zinc/52/87/98/606528798.db2.gz ZXIINBCKFGUCGA-UHFFFAOYSA-N -1 1 343.387 2.896 20 30 EFEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819746107 606528799 /nfs/dbraw/zinc/52/87/99/606528799.db2.gz ZXIINBCKFGUCGA-UHFFFAOYSA-N -1 1 343.387 2.896 20 30 EFEDMM Cc1cc(C)n(N=C[C@H]2CCCC(C)(C)C2)c(=O)c1-c1nn[n-]n1 ZINC000826265172 607782585 /nfs/dbraw/zinc/78/25/85/607782585.db2.gz OKZTUPGQIASRLL-ZDUSSCGKSA-N -1 1 328.420 2.696 20 30 EFEDMM N#Cc1c(COc2cccc(F)c2-c2nnn[n-]2)cn2ccccc12 ZINC000826383162 607863700 /nfs/dbraw/zinc/86/37/00/607863700.db2.gz NJUMMZQNIUCGKY-UHFFFAOYSA-N -1 1 334.314 2.709 20 30 EFEDMM N#Cc1c(COc2cccc(F)c2-c2nn[n-]n2)cn2ccccc12 ZINC000826383162 607863701 /nfs/dbraw/zinc/86/37/01/607863701.db2.gz NJUMMZQNIUCGKY-UHFFFAOYSA-N -1 1 334.314 2.709 20 30 EFEDMM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823953622 608094336 /nfs/dbraw/zinc/09/43/36/608094336.db2.gz JCQUFKXPWBNFHQ-UHFFFAOYSA-N -1 1 349.423 2.990 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000826383648 608884372 /nfs/dbraw/zinc/88/43/72/608884372.db2.gz KEKALQXNQLDQAR-DUXPYHPUSA-N -1 1 325.328 2.835 20 30 EFEDMM N#Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000826383648 608884374 /nfs/dbraw/zinc/88/43/74/608884374.db2.gz KEKALQXNQLDQAR-DUXPYHPUSA-N -1 1 325.328 2.835 20 30 EFEDMM C=CCN(CCc1ccco1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823909500 609436631 /nfs/dbraw/zinc/43/66/31/609436631.db2.gz GPSJQKRPGPIYDD-UHFFFAOYSA-N -1 1 330.779 2.743 20 30 EFEDMM C=CCN(CCc1ccco1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823909500 609436633 /nfs/dbraw/zinc/43/66/33/609436633.db2.gz GPSJQKRPGPIYDD-UHFFFAOYSA-N -1 1 330.779 2.743 20 30 EFEDMM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062149895 1260179779 /nfs/dbraw/zinc/17/97/79/1260179779.db2.gz ORKLVCVUOUACQY-KUHUBIRLSA-N -1 1 345.443 2.500 20 30 EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(COC)c2)c1 ZINC000730995176 1264509287 /nfs/dbraw/zinc/50/92/87/1264509287.db2.gz ARFBMYFMYOMXMY-UHFFFAOYSA-N -1 1 331.393 2.646 20 30 EFEDMM CN(C)[C@@H](C(=O)N([O-])C(=N)c1ccccc1N)c1ccccc1Cl ZINC001143616269 1264869280 /nfs/dbraw/zinc/86/92/80/1264869280.db2.gz LRJBEKSPMMSENG-OAHLLOKOSA-N -1 1 346.818 2.768 20 30 EFEDMM C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066078984 1266555248 /nfs/dbraw/zinc/55/52/48/1266555248.db2.gz RDKOMZKKKAHFSH-AWEZNQCLSA-N -1 1 345.443 2.500 20 30 EFEDMM C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066181306 1266697975 /nfs/dbraw/zinc/69/79/75/1266697975.db2.gz OXVDTODSLDUJGP-CQSZACIVSA-N -1 1 345.443 2.500 20 30 EFEDMM Cc1cccc2nc(C(C#N)=C([O-])[C@@H]3Cc4ccccc4C(=O)O3)[nH]c21 ZINC000735790400 1267425009 /nfs/dbraw/zinc/42/50/09/1267425009.db2.gz XGBPIYSZEFDGMU-HOCLYGCPSA-N -1 1 345.358 2.829 20 30 EFEDMM O=c1nc(C=N[O-])ccn1Cc1cc(Br)ccc1Cl ZINC000736301842 1267572996 /nfs/dbraw/zinc/57/29/96/1267572996.db2.gz AFIFKMKBAXHBOO-UHFFFAOYSA-N -1 1 342.580 2.516 20 30 EFEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)=O)cs2)cc1 ZINC000741111604 1269310864 /nfs/dbraw/zinc/31/08/64/1269310864.db2.gz SZEGMNPRCLNLCD-AWEZNQCLSA-N -1 1 342.376 2.920 20 30 EFEDMM CC(C)CO[C@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1(C)C ZINC000737428581 1269465897 /nfs/dbraw/zinc/46/58/97/1269465897.db2.gz ARULKABDLGYCIZ-HNNXBMFYSA-N -1 1 349.456 2.552 20 30 EFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(C)c(F)c(C)c1 ZINC000741460644 1269538851 /nfs/dbraw/zinc/53/88/51/1269538851.db2.gz RKACCRFMJRWEME-UHFFFAOYSA-N -1 1 345.399 2.905 20 30 EFEDMM C=CCC[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1 ZINC000866992422 1272870831 /nfs/dbraw/zinc/87/08/31/1272870831.db2.gz UQIVLHREEOFVSL-OAHLLOKOSA-N -1 1 342.486 2.790 20 30 EFEDMM C=CCC[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1 ZINC000866992420 1272871577 /nfs/dbraw/zinc/87/15/77/1272871577.db2.gz UQIVLHREEOFVSL-HNNXBMFYSA-N -1 1 342.486 2.790 20 30 EFEDMM COC(=O)n1ncc(C#N)c1[N-]c1ncc2cccc(Cl)c2n1 ZINC001169962736 1273283073 /nfs/dbraw/zinc/28/30/73/1273283073.db2.gz WXVPTGVBJVFTTP-UHFFFAOYSA-N -1 1 328.719 2.709 20 30 EFEDMM CCc1cc2c(COC(=O)c3ccc(C#N)[nH]3)cc(=O)oc2cc1[O-] ZINC000786090496 1275292253 /nfs/dbraw/zinc/29/22/53/1275292253.db2.gz ASBXWIIDOPPTTP-UHFFFAOYSA-N -1 1 338.319 2.618 20 30 EFEDMM N#Cc1c[nH]c2nc(Cl)cc(NCC(=O)c3ccc([O-])c(O)c3)c12 ZINC001170316690 1279009922 /nfs/dbraw/zinc/00/99/22/1279009922.db2.gz YJTDJKSMHFBCCC-UHFFFAOYSA-N -1 1 342.742 2.794 20 30 EFEDMM N#Cc1c(F)c(F)c(NCC(=O)c2ccc([O-])c(O)c2)c(F)c1F ZINC001170322226 1279014624 /nfs/dbraw/zinc/01/46/24/1279014624.db2.gz HPKYYRHQRXTAPJ-UHFFFAOYSA-N -1 1 340.232 2.821 20 30 EFEDMM CSc1nc(Cl)c(/C=N/[O-])c(NC2(c3cccnn3)CC2)n1 ZINC001157717885 1279017727 /nfs/dbraw/zinc/01/77/27/1279017727.db2.gz MYYLMMLOKYDHDP-FRKPEAEDSA-N -1 1 336.808 2.551 20 30 EFEDMM Cc1cc(=O)[n-]c(NN=C(C[C@@H]2CCOC2)c2ccc(F)cc2)n1 ZINC000792870895 1279207527 /nfs/dbraw/zinc/20/75/27/1279207527.db2.gz UJPSRRYVAPIDRK-LBPRGKRZSA-N -1 1 330.363 2.873 20 30 EFEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(C(=O)N(C)C)cc1 ZINC000792941753 1279267332 /nfs/dbraw/zinc/26/73/32/1279267332.db2.gz RGLMJEHYJHPVSP-UHFFFAOYSA-N -1 1 325.368 2.923 20 30 EFEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000793364147 1279570797 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Cc1nn(Cc2ccccn2)c(C)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001198592776 1295132693 /nfs/dbraw/zinc/13/26/93/1295132693.db2.gz AWSAZXVEBKQCRC-UHFFFAOYSA-N -1 1 347.378 2.773 20 30 EFEDMM C=CC[C@@H](Oc1c(C(N)=O)nc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC001234475572 1313136525 /nfs/dbraw/zinc/13/65/25/1313136525.db2.gz BXTGMXSSGNUHBZ-GFCCVEGCSA-N -1 1 333.775 2.939 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H](C)CC(C)(C)S ZINC001234556471 1313156655 /nfs/dbraw/zinc/15/66/55/1313156655.db2.gz BFYOLWYGJAYFNH-VIFPVBQESA-N -1 1 328.434 2.958 20 30 EFEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@H](C#N)c1ccccc1F ZINC001234558823 1313156711 /nfs/dbraw/zinc/15/67/11/1313156711.db2.gz YHCCYYGGFJLTFX-GFCCVEGCSA-N -1 1 345.330 2.875 20 30 EFEDMM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2c(C(N)=O)nc(C(C)C)[n-]c2=O)O1 ZINC001234566224 1313159587 /nfs/dbraw/zinc/15/95/87/1313159587.db2.gz VKTACNVTBCUVIU-ZMZPIMSZSA-N -1 1 349.431 2.686 20 30 EFEDMM C=C[C@@]1(C)CC[C@@H](Oc2c(C(=O)OC)nc(C)[n-]c2=O)C(C)(C)O1 ZINC001234564600 1313159689 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C=C(C)CN1CC[C@@]2(CCCN2Cc2cc([O-])c(F)c(F)c2)C1=O ZINC001274808149 1296183442 /nfs/dbraw/zinc/18/34/42/1296183442.db2.gz RIAZMAGSHYOQFW-SFHVURJKSA-N -1 1 336.382 2.813 20 30 EFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201058786 1296540664 /nfs/dbraw/zinc/54/06/64/1296540664.db2.gz BPZXXUYRHVGNGC-VIFPVBQESA-N -1 1 349.225 2.805 20 30 EFEDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)n1 ZINC001201294860 1296708121 /nfs/dbraw/zinc/70/81/21/1296708121.db2.gz FJVAWSBUGPIMIL-UHFFFAOYSA-N -1 1 337.788 2.725 20 30 EFEDMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201317703 1296723967 /nfs/dbraw/zinc/72/39/67/1296723967.db2.gz ZDEPAAHTWQDFQF-UHFFFAOYSA-N -1 1 344.392 2.844 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ccc(F)c(C#N)c1 ZINC001201764439 1297062379 /nfs/dbraw/zinc/06/23/79/1297062379.db2.gz NAFZIAYHPCAXFO-UHFFFAOYSA-N -1 1 345.808 2.594 20 30 EFEDMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1csc(C#N)c1 ZINC001201770964 1297069037 /nfs/dbraw/zinc/06/90/37/1297069037.db2.gz YMHVKSZKQHJWPY-UHFFFAOYSA-N -1 1 333.847 2.517 20 30 EFEDMM C#Cc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccn1 ZINC001201792061 1297079612 /nfs/dbraw/zinc/07/96/12/1297079612.db2.gz KBILZLSRIJJTSU-UHFFFAOYSA-N -1 1 328.437 2.828 20 30 EFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000108250461 1298493980 /nfs/dbraw/zinc/49/39/80/1298493980.db2.gz KLSPGPCQIYSWFK-UHFFFAOYSA-N -1 1 329.377 2.702 20 30 EFEDMM C=CCOC(=O)N1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237129188 1313591836 /nfs/dbraw/zinc/59/18/36/1313591836.db2.gz WWOJTCIQKXAPBF-UHFFFAOYSA-N -1 1 328.771 2.625 20 30 EFEDMM C[C@@H]1CCN([C@H](C#N)c2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756605 1299868486 /nfs/dbraw/zinc/86/84/86/1299868486.db2.gz PNSWEQMTGOIMRP-KWCYVHTRSA-N -1 1 325.334 2.640 20 30 EFEDMM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000852999237 1299963679 /nfs/dbraw/zinc/96/36/79/1299963679.db2.gz YVDBRWPLINOORP-WAKXPGHKSA-N -1 1 325.368 2.994 20 30 EFEDMM 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EFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000794588010 1302770718 /nfs/dbraw/zinc/77/07/18/1302770718.db2.gz UBCLPKJBZKQLPY-UHFFFAOYSA-N -1 1 326.377 2.565 20 30 EFEDMM Cc1cc2c(c(-c3ccc(C(F)(F)F)cc3C#N)n1)C(=O)[N-]C2=O ZINC001238839354 1313876359 /nfs/dbraw/zinc/87/63/59/1313876359.db2.gz GEVHUEKJAWVWIR-UHFFFAOYSA-N -1 1 331.253 2.831 20 30 EFEDMM O=C(c1cc(F)cc(-c2cc(/C=N/[O-])ccc2F)c1)N1CCOCC1 ZINC001238914813 1313882982 /nfs/dbraw/zinc/88/29/82/1313882982.db2.gz NVBIBFDGFDGGFD-SRZZPIQSSA-N -1 1 346.333 2.912 20 30 EFEDMM Cc1cc(SCC(=O)CC[N-]C(=O)C(F)(F)F)ccc1C#N ZINC000865369870 1303230933 /nfs/dbraw/zinc/23/09/33/1303230933.db2.gz JUAWGTSFPZXJDZ-UHFFFAOYSA-N -1 1 330.331 2.597 20 30 EFEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(C)c1 ZINC000794890419 1303508117 /nfs/dbraw/zinc/50/81/17/1303508117.db2.gz BHMLFSMRFXGFEY-UHFFFAOYSA-N -1 1 327.409 2.848 20 30 EFEDMM COC(=O)COc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1 ZINC000121138345 1303706711 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ITXQVVPHRDCHGA-VXGBXAGGSA-N -1 1 343.383 2.912 20 30 EFEDMM COC(=O)[C@@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccc(F)cc1 ZINC001227618389 1311831746 /nfs/dbraw/zinc/83/17/46/1311831746.db2.gz KNEIIRPCZCNTPH-INIZCTEOSA-N -1 1 326.283 2.568 20 30 EFEDMM N#Cc1ccc([O-])cc1OC1CCN(c2ccc(Cl)nn2)CC1 ZINC001228005547 1311888216 /nfs/dbraw/zinc/88/82/16/1311888216.db2.gz OVUCZOGOJBFBSO-UHFFFAOYSA-N -1 1 330.775 2.755 20 30 EFEDMM N#Cc1ccc([O-])cc1OC[C@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC001228005775 1311888549 /nfs/dbraw/zinc/88/85/49/1311888549.db2.gz SAZFMROLGVMPGS-OAHLLOKOSA-N -1 1 328.299 2.807 20 30 EFEDMM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])ccc2C#N)[C@H](F)C1 ZINC001228005115 1311888679 /nfs/dbraw/zinc/88/86/79/1311888679.db2.gz HFTOECKMENYADF-ZIAGYGMSSA-N -1 1 336.363 2.990 20 30 EFEDMM N#CC1CC(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C1 ZINC001228110278 1311900682 /nfs/dbraw/zinc/90/06/82/1311900682.db2.gz IJAHEXIFWUIVQT-UHFFFAOYSA-N -1 1 325.320 2.715 20 30 EFEDMM CC[C@H](C#CC(=O)OC)Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228185760 1311912672 /nfs/dbraw/zinc/91/26/72/1311912672.db2.gz LJYZTLMFWSIYEC-MRXNPFEDSA-N -1 1 338.359 2.957 20 30 EFEDMM CCOC(=O)[C@H]1CCC(=NNc2nc(C)cc(=O)[n-]2)c2ccccc21 ZINC000802703576 1311937704 /nfs/dbraw/zinc/93/77/04/1311937704.db2.gz HAEFPVXGKDQHRN-AWEZNQCLSA-N -1 1 340.383 2.747 20 30 EFEDMM CCOC(=O)c1cnc(=S)[n-]c1O[C@H](CC#N)c1ccccc1 ZINC001228552869 1311963871 /nfs/dbraw/zinc/96/38/71/1311963871.db2.gz PJWTYCGWIQFSNY-CYBMUJFWSA-N -1 1 329.381 2.976 20 30 EFEDMM C#C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)C(C)C ZINC001229199138 1312060507 /nfs/dbraw/zinc/06/05/07/1312060507.db2.gz SONOCMCDJUJDCW-AWEZNQCLSA-N -1 1 336.343 2.910 20 30 EFEDMM O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1O[C@H]1CCOC1=O ZINC001229265118 1312069901 /nfs/dbraw/zinc/06/99/01/1312069901.db2.gz HULAXNHKSVLTLV-HJYWZVSTSA-N -1 1 340.331 2.688 20 30 EFEDMM C[C@H](CON)Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001229267576 1312069983 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2.896 20 30 EFEDMM C=C(C)CN1Cc2ccccc2C[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001054038682 1315202682 /nfs/dbraw/zinc/20/26/82/1315202682.db2.gz JGMHMUNTYOQPEW-QGZVFWFLSA-N -1 1 337.423 2.520 20 30 EFEDMM N#Cc1cc(NC[C@@H](O)COc2ccc(Cl)cc2)c([O-])cc1F ZINC001250678255 1315241315 /nfs/dbraw/zinc/24/13/15/1315241315.db2.gz NADAOZOXBZDYRU-GFCCVEGCSA-N -1 1 336.750 2.908 20 30 EFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1nc2cc(Cl)ccc2n1C ZINC000749157065 1315255325 /nfs/dbraw/zinc/25/53/25/1315255325.db2.gz DSPAUNPWOXTNCI-UHFFFAOYSA-N -1 1 330.779 2.867 20 30 EFEDMM Cc1cc(N2CCOCC2)cc2nc(-c3cc(C#N)ccc3[O-])[nH]c21 ZINC001251180491 1315328491 /nfs/dbraw/zinc/32/84/91/1315328491.db2.gz YTOMAVJONKQOIN-UHFFFAOYSA-N -1 1 334.379 2.952 20 30 EFEDMM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCCc1c[nH]nn1 ZINC000195265655 1315467404 /nfs/dbraw/zinc/46/74/04/1315467404.db2.gz VIMAJLSESZRSIJ-OAHLLOKOSA-N -1 1 349.394 2.899 20 30 EFEDMM N#Cc1cnc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC001257785767 1316092749 /nfs/dbraw/zinc/09/27/49/1316092749.db2.gz RNCSHHYNDVYVEF-UHFFFAOYSA-N -1 1 348.236 2.800 20 30 EFEDMM CCn1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2n1 ZINC001258116503 1316119809 /nfs/dbraw/zinc/11/98/09/1316119809.db2.gz NRUYKANAZPPHDX-UHFFFAOYSA-N -1 1 326.381 2.729 20 30 EFEDMM COc1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2n1 ZINC001258117049 1316120114 /nfs/dbraw/zinc/12/01/14/1316120114.db2.gz ZFUISXQZMPWEGZ-UHFFFAOYSA-N -1 1 339.376 2.916 20 30 EFEDMM C=CCCCC(=O)NC1(CC)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322633 1316175482 /nfs/dbraw/zinc/17/54/82/1316175482.db2.gz KKCUZAIQFYKCDF-UHFFFAOYSA-N -1 1 345.443 2.645 20 30 EFEDMM C#Cc1ccccc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258986297 1316199454 /nfs/dbraw/zinc/19/94/54/1316199454.db2.gz IAJWFCQYQQENRK-RDTXWAMCSA-N -1 1 331.437 2.805 20 30 EFEDMM N#CC12CCC([N-]S(=O)(=O)c3cc(F)c(F)cc3F)(CC1)CC2 ZINC001259043646 1316201742 /nfs/dbraw/zinc/20/17/42/1316201742.db2.gz UTRKFXXBTSPAMC-UHFFFAOYSA-N -1 1 344.358 2.999 20 30 EFEDMM N#CC12CCC([N-]S(=O)(=O)c3ccc(F)c(F)c3F)(CC1)CC2 ZINC001259081515 1316206065 /nfs/dbraw/zinc/20/60/65/1316206065.db2.gz AAVXDCFQYIJLHJ-UHFFFAOYSA-N -1 1 344.358 2.999 20 30 EFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)ccc23)c1 ZINC001259125063 1316212282 /nfs/dbraw/zinc/21/22/82/1316212282.db2.gz IZKQWFHOOKQWCV-UHFFFAOYSA-N -1 1 325.349 2.613 20 30 EFEDMM COc1cccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c1 ZINC001259189372 1316217129 /nfs/dbraw/zinc/21/71/29/1316217129.db2.gz VKODFMNJIGWCHQ-UHFFFAOYSA-N -1 1 345.405 2.977 20 30 EFEDMM N#CCCNCc1cc(Br)cc(Br)c1[O-] ZINC000390006844 1316222502 /nfs/dbraw/zinc/22/25/02/1316222502.db2.gz XCQPMVIFLRPELS-UHFFFAOYSA-N -1 1 334.011 2.920 20 30 EFEDMM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC001259398076 1316237235 /nfs/dbraw/zinc/23/72/35/1316237235.db2.gz XGORUIXMDHTSHP-UHFFFAOYSA-N -1 1 345.405 2.977 20 30 EFEDMM Cc1nc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC001259401923 1316237919 /nfs/dbraw/zinc/23/79/19/1316237919.db2.gz FIPKALXQKRQAJO-UHFFFAOYSA-N -1 1 331.397 2.850 20 30 EFEDMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(F)c(C#N)c3)cc2nn1C ZINC001259417240 1316239850 /nfs/dbraw/zinc/23/98/50/1316239850.db2.gz MFEJZGRDMJXTKH-UHFFFAOYSA-N -1 1 344.371 2.693 20 30 EFEDMM C=CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259419587 1316240195 /nfs/dbraw/zinc/24/01/95/1316240195.db2.gz JGIDPXQDKVVPTF-UHFFFAOYSA-N -1 1 345.355 2.623 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2CO)ccc1F ZINC001259418492 1316240602 /nfs/dbraw/zinc/24/06/02/1316240602.db2.gz FGSJKJVHLUTKRV-UHFFFAOYSA-N -1 1 340.763 2.644 20 30 EFEDMM N#Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCC2)ccc1F ZINC001259421577 1316240688 /nfs/dbraw/zinc/24/06/88/1316240688.db2.gz CAMLPYZFMBPFBK-UHFFFAOYSA-N -1 1 336.310 2.851 20 30 EFEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC001259491119 1316250590 /nfs/dbraw/zinc/25/05/90/1316250590.db2.gz JEEMSIASAZDDHK-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1Cl ZINC001260110729 1316316273 /nfs/dbraw/zinc/31/62/73/1316316273.db2.gz WACPOCHHFXGSRK-UHFFFAOYSA-N -1 1 338.820 2.671 20 30 EFEDMM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC001260287558 1316328908 /nfs/dbraw/zinc/32/89/08/1316328908.db2.gz DTWSIYYSKDCCPL-KYZUINATSA-N -1 1 334.775 2.979 20 30 EFEDMM N#Cc1coc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)c1 ZINC001260291262 1316329060 /nfs/dbraw/zinc/32/90/60/1316329060.db2.gz QOUVCKGZMAXFQN-UHFFFAOYSA-N -1 1 332.715 2.561 20 30 EFEDMM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1F ZINC001260297694 1316330439 /nfs/dbraw/zinc/33/04/39/1316330439.db2.gz STACDZXMBHFKER-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM C#CC[N-]S(=O)(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001260338905 1316332286 /nfs/dbraw/zinc/33/22/86/1316332286.db2.gz SZWVVKCEWYBGHM-UHFFFAOYSA-N -1 1 332.130 2.924 20 30 EFEDMM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1C#N ZINC001260452570 1316340084 /nfs/dbraw/zinc/34/00/84/1316340084.db2.gz IICMMRQBKZMEAI-UHFFFAOYSA-N -1 1 340.360 2.774 20 30 EFEDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2)cc1C ZINC001260638436 1316352150 /nfs/dbraw/zinc/35/21/50/1316352150.db2.gz IXVOFTGJXANFDD-UHFFFAOYSA-N -1 1 338.335 2.954 20 30 EFEDMM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001260649879 1316354124 /nfs/dbraw/zinc/35/41/24/1316354124.db2.gz MNAAPJGCNLZXOJ-UHFFFAOYSA-N -1 1 342.298 2.785 20 30 EFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC001260809205 1316370388 /nfs/dbraw/zinc/37/03/88/1316370388.db2.gz FHVYXYFCQJIAJE-UHFFFAOYSA-N -1 1 329.381 2.512 20 30 EFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC001260811443 1316370956 /nfs/dbraw/zinc/37/09/56/1316370956.db2.gz RETFXWQNUVIRDI-UHFFFAOYSA-N -1 1 329.381 2.512 20 30 EFEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)c1 ZINC001260812422 1316370961 /nfs/dbraw/zinc/37/09/61/1316370961.db2.gz HLMICZBYKAIAOG-UHFFFAOYSA-N -1 1 343.408 2.934 20 30 EFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)c1 ZINC001260843400 1316374006 /nfs/dbraw/zinc/37/40/06/1316374006.db2.gz MBRGOPKQHPXJLC-GFCCVEGCSA-N -1 1 344.392 2.901 20 30 EFEDMM CCn1ccnc1C(C#N)=C([O-])c1ccn(-c2cc(C)ccc2OC)n1 ZINC001263616643 1316551258 /nfs/dbraw/zinc/55/12/58/1316551258.db2.gz BNRCRVHKGOFITH-CQSZACIVSA-N -1 1 349.394 2.896 20 30 EFEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001318910690 1328739785 /nfs/dbraw/zinc/73/97/85/1328739785.db2.gz ZKFDUGRXADBOME-UHFFFAOYSA-N -1 1 326.381 2.738 20 30 EFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc([O-])c1F ZINC001296092343 1322850443 /nfs/dbraw/zinc/85/04/43/1322850443.db2.gz BRACTJKEIVXEKM-UHFFFAOYSA-N -1 1 337.314 2.544 20 30 EFEDMM C=C[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001321157867 1329350308 /nfs/dbraw/zinc/35/03/08/1329350308.db2.gz HXSAOCYHDKCUBW-MRVPVSSYSA-N -1 1 328.192 2.612 20 30 EFEDMM N#CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC001329400222 1330703423 /nfs/dbraw/zinc/70/34/23/1330703423.db2.gz YPSKYJPJHIZETP-UHFFFAOYSA-N -1 1 342.298 2.807 20 30 EFEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](CC)C1 ZINC001338707832 1331727907 /nfs/dbraw/zinc/72/79/07/1331727907.db2.gz CQURYRNIFDPIKE-GFCCVEGCSA-N -1 1 340.431 2.740 20 30 EFEDMM C#CC1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC=C)CC1 ZINC001339098126 1331790515 /nfs/dbraw/zinc/79/05/15/1331790515.db2.gz YBLPFOFRRLSLQL-UHFFFAOYSA-N -1 1 343.818 2.735 20 30 EFEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001339097700 1331790634 /nfs/dbraw/zinc/79/06/34/1331790634.db2.gz SHTGSCRXYAQRTE-QWRGUYRKSA-N -1 1 333.823 2.977 20 30 EFEDMM C=C(C)CN(CC)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CC ZINC001341149799 1332238568 /nfs/dbraw/zinc/23/85/68/1332238568.db2.gz BSRMPDZGMLPQJJ-UHFFFAOYSA-N -1 1 328.420 2.740 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001342186165 1332314833 /nfs/dbraw/zinc/31/48/33/1332314833.db2.gz QNUMGIQMMQWHCX-GFCCVEGCSA-N -1 1 330.436 2.822 20 30 EFEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(CC(F)F)C1CCC1 ZINC001343714946 1332372155 /nfs/dbraw/zinc/37/21/55/1332372155.db2.gz SMSZDPFSAPLELY-UHFFFAOYSA-N -1 1 338.362 2.574 20 30 EFEDMM Cc1sc([N-]C(=O)c2cc(-c3ccn(C)n3)on2)c(C#N)c1C ZINC001351223639 1333196867 /nfs/dbraw/zinc/19/68/67/1333196867.db2.gz JMOCUFVEVFEXFR-UHFFFAOYSA-N -1 1 327.369 2.877 20 30 EFEDMM C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847347206 1333581062 /nfs/dbraw/zinc/58/10/62/1333581062.db2.gz CFNVYVRFUGLCKU-JHJVBQTASA-N -1 1 349.397 2.972 20 30 EFEDMM C=CCC(C)(C)CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847377117 1333622385 /nfs/dbraw/zinc/62/23/85/1333622385.db2.gz QDDKWNHCNGHOIS-VXGBXAGGSA-N -1 1 349.397 2.830 20 30 EFEDMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1(C#N)CCCCC1 ZINC001413855199 1334033330 /nfs/dbraw/zinc/03/33/30/1334033330.db2.gz BNRAIQSFGGYPEH-RYUDHWBXSA-N -1 1 345.365 2.518 20 30 EFEDMM C=C(C)CCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001358319601 1335371851 /nfs/dbraw/zinc/37/18/51/1335371851.db2.gz DFBMXGNJZMCPIJ-ZDUSSCGKSA-N -1 1 340.345 2.979 20 30 EFEDMM C=CCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000849426001 1335613011 /nfs/dbraw/zinc/61/30/11/1335613011.db2.gz MKANIKGVBOVZSJ-UHFFFAOYSA-N -1 1 335.784 2.510 20 30 EFEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3cccc([O-])c3F)CCO2)c1 ZINC001362599073 1336669343 /nfs/dbraw/zinc/66/93/43/1336669343.db2.gz DINFOBWXMCWTPI-INIZCTEOSA-N -1 1 326.327 2.617 20 30 EFEDMM N#Cc1cccc([C@H]2CN(C(=O)c3cccc([O-])c3F)CCO2)c1 ZINC001362599077 1336669472 /nfs/dbraw/zinc/66/94/72/1336669472.db2.gz DINFOBWXMCWTPI-MRXNPFEDSA-N -1 1 326.327 2.617 20 30 EFEDMM COc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C#N ZINC001362796723 1336745245 /nfs/dbraw/zinc/74/52/45/1336745245.db2.gz RNERFXRJQQPHOP-UHFFFAOYSA-N -1 1 326.356 2.747 20 30 EFEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(F)ccc1N(C)C ZINC001363694236 1336997936 /nfs/dbraw/zinc/99/79/36/1336997936.db2.gz ROOAVXNSHZRQSI-LLVKDONJSA-N -1 1 327.359 2.960 20 30 EFEDMM Cc1cnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)[n-]c1=O ZINC001363759845 1337028407 /nfs/dbraw/zinc/02/84/07/1337028407.db2.gz VVPWZEUGRHFCSC-UHFFFAOYSA-N -1 1 334.788 2.747 20 30 EFEDMM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccccc1F ZINC001364873663 1337206515 /nfs/dbraw/zinc/20/65/15/1337206515.db2.gz LSAATVBYGQYSHY-KRWDZBQOSA-N -1 1 346.383 2.614 20 30 EFEDMM N#Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC001414301309 1370192582 /nfs/dbraw/zinc/19/25/82/1370192582.db2.gz JNGYSNITSNOQDI-UHFFFAOYSA-N -1 1 326.324 2.610 20 30 EFEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC001434274816 1387119800 /nfs/dbraw/zinc/11/98/00/1387119800.db2.gz QIOPUWQTPXEMKJ-UHFFFAOYSA-N -1 1 340.387 2.513 20 30 EFEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1ncc2c(c1C#N)COCC2 ZINC001461015334 1396281389 /nfs/dbraw/zinc/28/13/89/1396281389.db2.gz NEGFDDBUJAXCGJ-UHFFFAOYSA-N -1 1 334.282 2.512 20 30 EFEDMM CSc1ncc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(=O)[n-]1 ZINC001464465624 1396578167 /nfs/dbraw/zinc/57/81/67/1396578167.db2.gz DGTZUFXZESQHLE-UHFFFAOYSA-N -1 1 344.396 2.815 20 30 EFEDMM C[C@H](C#N)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735503046 1427397137 /nfs/dbraw/zinc/39/71/37/1427397137.db2.gz GKPFUAXQJCENHH-LLVKDONJSA-N -1 1 334.339 2.757 20 30 EFEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819740404 1428365113 /nfs/dbraw/zinc/36/51/13/1428365113.db2.gz ZDZDKJZIOIKGTQ-GFCCVEGCSA-N -1 1 345.403 2.574 20 30 EFEDMM C[C@H](C#N)Oc1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735502973 1428380284 /nfs/dbraw/zinc/38/02/84/1428380284.db2.gz IAPKOFMHWQBTHN-GFCCVEGCSA-N -1 1 333.355 2.604 20 30 EFEDMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(C#N)c1 ZINC000820456332 1428685861 /nfs/dbraw/zinc/68/58/61/1428685861.db2.gz SRBNPVSATUXYGF-VIFPVBQESA-N -1 1 325.763 2.960 20 30 EFEDMM COc1cccc2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)oc21 ZINC000821877621 1428744524 /nfs/dbraw/zinc/74/45/24/1428744524.db2.gz NQCGQMULVBPIDC-UHFFFAOYSA-N -1 1 348.366 2.745 20 30 EFEDMM COc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000821778276 1428933505 /nfs/dbraw/zinc/93/35/05/1428933505.db2.gz XLOYLXAIFWFCCC-UHFFFAOYSA-N -1 1 340.362 2.528 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C)cc2O)cc1-c1nn[n-]n1 ZINC000821786588 1428933921 /nfs/dbraw/zinc/93/39/21/1428933921.db2.gz FXLSJOPPCBKHHK-DAXSKMNVSA-N -1 1 336.351 2.785 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C)cc2O)cc1-c1nnn[n-]1 ZINC000821786588 1428933927 /nfs/dbraw/zinc/93/39/27/1428933927.db2.gz FXLSJOPPCBKHHK-DAXSKMNVSA-N -1 1 336.351 2.785 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2[C@H]3CCCO[C@H]3C2(C)C)o1 ZINC000820197999 1428936558 /nfs/dbraw/zinc/93/65/58/1428936558.db2.gz QLRSTGLGQLVAAK-BXKDBHETSA-N -1 1 345.407 2.581 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000737080790 1428951482 /nfs/dbraw/zinc/95/14/82/1428951482.db2.gz HJNYIQFAAYVCCC-XBXARRHUSA-N -1 1 331.335 2.643 20 30 EFEDMM CCc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000825705130 1428966634 /nfs/dbraw/zinc/96/66/34/1428966634.db2.gz WNYYZLMBYDEXGK-UHFFFAOYSA-N -1 1 331.767 2.907 20 30 EFEDMM Oc1cccc2c1CCC2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826511339 1429002393 /nfs/dbraw/zinc/00/23/93/1429002393.db2.gz LONPVZLWFWLOFD-UHFFFAOYSA-N -1 1 340.774 2.988 20 30 EFEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CC(C)(C)OC2(C)C)o1 ZINC000820108354 1429084567 /nfs/dbraw/zinc/08/45/67/1429084567.db2.gz IXOIEZCXXTYSHX-UHFFFAOYSA-N -1 1 347.423 2.799 20 30 EFEDMM C=C(C)CNC(=S)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819722291 1429093791 /nfs/dbraw/zinc/09/37/91/1429093791.db2.gz GAQJQZHFFJGQLY-UHFFFAOYSA-N -1 1 332.433 2.516 20 30 EFEDMM COc1cccc(O)c1C=Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821871547 1429134754 /nfs/dbraw/zinc/13/47/54/1429134754.db2.gz AMHZXJHMXJTJGJ-UHFFFAOYSA-N -1 1 329.747 2.985 20 30 EFEDMM C=CCOCCCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000819759073 1429183776 /nfs/dbraw/zinc/18/37/76/1429183776.db2.gz NTOWRSHHUZVCME-UHFFFAOYSA-N -1 1 335.433 2.720 20 30 EFEDMM N#CCC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381218 1429271937 /nfs/dbraw/zinc/27/19/37/1429271937.db2.gz BWRRBSSNPJPENS-MRXNPFEDSA-N -1 1 332.367 2.642 20 30 EFEDMM CC(C)CCN(CCC#N)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820076651 1429309731 /nfs/dbraw/zinc/30/97/31/1429309731.db2.gz QIHBSYWXWDESAW-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CC(C)CCN(CCC#N)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000820076651 1429309736 /nfs/dbraw/zinc/30/97/36/1429309736.db2.gz QIHBSYWXWDESAW-UHFFFAOYSA-N -1 1 342.447 2.897 20 30 EFEDMM CCN(C(=O)C#Cc1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821147011 1429344579 /nfs/dbraw/zinc/34/45/79/1429344579.db2.gz CVCHUMQRUILLBA-HNNXBMFYSA-N -1 1 345.406 2.828 20 30 EFEDMM Cc1ccc(F)cc1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826289881 1429623617 /nfs/dbraw/zinc/62/36/17/1429623617.db2.gz QIZCINGOGYSVBS-UHFFFAOYSA-N -1 1 331.742 2.809 20 30 EFEDMM Cc1ccc(F)cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826289881 1429623624 /nfs/dbraw/zinc/62/36/24/1429623624.db2.gz QIZCINGOGYSVBS-UHFFFAOYSA-N -1 1 331.742 2.809 20 30 EFEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401484 1423407454 /nfs/dbraw/zinc/40/74/54/1423407454.db2.gz ZYCNIKZYBLNJGI-BAQGIRSFSA-N -1 1 339.286 2.810 20 30 EFEDMM CCCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736498413 1423739363 /nfs/dbraw/zinc/73/93/63/1423739363.db2.gz ZKTWJBGSKUSXOV-UHFFFAOYSA-N -1 1 332.367 2.943 20 30 EFEDMM C=CC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000189334471 1423832309 /nfs/dbraw/zinc/83/23/09/1423832309.db2.gz BSOKUJRJPSFBDG-QGZVFWFLSA-N -1 1 333.395 2.843 20 30 EFEDMM C=CCC(CC=C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819734733 1424087665 /nfs/dbraw/zinc/08/76/65/1424087665.db2.gz RXKUSRCTXAVILZ-UHFFFAOYSA-N -1 1 328.372 2.687 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2ccccc2F)o1 ZINC000735992362 1424210074 /nfs/dbraw/zinc/21/00/74/1424210074.db2.gz DACPHCYCWHIXKE-UHFFFAOYSA-N -1 1 329.339 2.723 20 30 EFEDMM C#Cc1cccc(NC(=S)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391334 1424551160 /nfs/dbraw/zinc/55/11/60/1424551160.db2.gz PUTCFMSRWSOWKS-UHFFFAOYSA-N -1 1 348.435 2.677 20 30 EFEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000160342094 1424603982 /nfs/dbraw/zinc/60/39/82/1424603982.db2.gz FMUXJWKXHLAFKF-UHFFFAOYSA-N -1 1 348.366 2.534 20 30 EFEDMM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736351676 1424752374 /nfs/dbraw/zinc/75/23/74/1424752374.db2.gz QWSDXGRHBUWFRV-AWEZNQCLSA-N -1 1 346.394 2.946 20 30 EFEDMM Cc1cccc2c1CC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737408703 1424835438 /nfs/dbraw/zinc/83/54/38/1424835438.db2.gz KKNITKMFDWEWQE-NTUHNPAUSA-N -1 1 342.362 2.645 20 30 EFEDMM CCCC(C#N)(CCC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736417791 1425046963 /nfs/dbraw/zinc/04/69/63/1425046963.db2.gz WFKXBSFQYNGQEW-KTKRTIGZSA-N -1 1 338.415 2.859 20 30 EFEDMM COCCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)C(C)C ZINC000821684746 1425226876 /nfs/dbraw/zinc/22/68/76/1425226876.db2.gz JKYGOHSSABDBKN-UHFFFAOYSA-N -1 1 335.412 2.514 20 30 EFEDMM CC(C)(C)CN(CCC#N)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824087552 1425403323 /nfs/dbraw/zinc/40/33/23/1425403323.db2.gz WYYFSAFHDINQMA-UHFFFAOYSA-N -1 1 329.364 2.541 20 30 EFEDMM Fc1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c(F)c1 ZINC000826373969 1425447281 /nfs/dbraw/zinc/44/72/81/1425447281.db2.gz GZNFTSAMRTWOSU-UHFFFAOYSA-N -1 1 335.705 2.639 20 30 EFEDMM O=C(OCC#Cc1ccc(Cl)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823396981 1425454487 /nfs/dbraw/zinc/45/44/87/1425454487.db2.gz PWKFQYJZOUNXOL-UHFFFAOYSA-N -1 1 344.783 2.790 20 30 EFEDMM C#CCOc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380248 1425475749 /nfs/dbraw/zinc/47/57/49/1425475749.db2.gz GXJWYVQEIJITJQ-UHFFFAOYSA-N -1 1 334.339 2.523 20 30 EFEDMM COc1ccc(C=NNCc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737082449 1425649870 /nfs/dbraw/zinc/64/98/70/1425649870.db2.gz VLVZUFPHPGUUCX-UHFFFAOYSA-N -1 1 342.790 2.652 20 30 EFEDMM C[C@H](OC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148060 1425778765 /nfs/dbraw/zinc/77/87/65/1425778765.db2.gz FLEQEBLEWSWAKP-ZDUSSCGKSA-N -1 1 347.378 2.975 20 30 EFEDMM O=C1c2ccc(O)cc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475523 1425795528 /nfs/dbraw/zinc/79/55/28/1425795528.db2.gz IQMFPDLIWNZKNJ-GHXNOFRVSA-N -1 1 336.326 2.924 20 30 EFEDMM O=C1c2cc(F)ccc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475785 1425918609 /nfs/dbraw/zinc/91/86/09/1425918609.db2.gz QNGSTRSAJDSIHU-BJMVGYQFSA-N -1 1 340.289 2.804 20 30 EFEDMM C=CCC(C)(C)C(=O)Nc1cccc2c(=O)cc(-c3nnn[n-]3)oc12 ZINC001144072852 1425946000 /nfs/dbraw/zinc/94/60/00/1425946000.db2.gz IUKHWQXIOLZHLU-UHFFFAOYSA-N -1 1 339.355 2.514 20 30 EFEDMM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826211004 1426007372 /nfs/dbraw/zinc/00/73/72/1426007372.db2.gz MEMVGPJYEOHBER-HWKANZROSA-N -1 1 342.380 2.842 20 30 EFEDMM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000825560645 1426075886 /nfs/dbraw/zinc/07/58/86/1426075886.db2.gz URXUTYWSODPJRS-HWKANZROSA-N -1 1 344.352 2.594 20 30 EFEDMM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737308298 1426083688 /nfs/dbraw/zinc/08/36/88/1426083688.db2.gz KSSPWUXZTQTLCP-BQYQJAHWSA-N -1 1 330.351 2.719 20 30 EFEDMM CC#CCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819764575 1426107076 /nfs/dbraw/zinc/10/70/76/1426107076.db2.gz JZIGNQIPQWGEAY-UHFFFAOYSA-N -1 1 348.362 2.626 20 30 EFEDMM N#Cc1cc(-c2nnn[n-]2)c(SCCCC2CCCC2)nc1N ZINC000822819431 1426130741 /nfs/dbraw/zinc/13/07/41/1426130741.db2.gz SLAHXLHDTVHBFH-UHFFFAOYSA-N -1 1 329.433 2.778 20 30 EFEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)CCC(C)C ZINC000822217978 1426218730 /nfs/dbraw/zinc/21/87/30/1426218730.db2.gz USIGRDIUNCEVEO-UHFFFAOYSA-N -1 1 341.419 2.969 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1sc(CC)cc1-c1nnn[n-]1)OCC ZINC000823874865 1426260686 /nfs/dbraw/zinc/26/06/86/1426260686.db2.gz ZSPSLBFMUMQMFF-GFCCVEGCSA-N -1 1 335.433 2.800 20 30 EFEDMM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822270871 1426296463 /nfs/dbraw/zinc/29/64/63/1426296463.db2.gz BBRILNAHOWEQLS-UHFFFAOYSA-N -1 1 341.306 2.668 20 30 EFEDMM C#Cc1cccc(N(CC)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735391586 1426300898 /nfs/dbraw/zinc/30/08/98/1426300898.db2.gz UBGNNOIIODXKDG-OUKQBFOZSA-N -1 1 343.390 2.914 20 30 EFEDMM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819743923 1426453542 /nfs/dbraw/zinc/45/35/42/1426453542.db2.gz SWMWWUWOUFAIKY-UHFFFAOYSA-N -1 1 347.382 2.641 20 30 EFEDMM Cc1c(C(=O)C=Cc2ccccc2C#N)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234229 1426495340 /nfs/dbraw/zinc/49/53/40/1426495340.db2.gz NEHITRJJZKINRH-CMDGGOBGSA-N -1 1 344.378 2.691 20 30 EFEDMM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000823841563 1426644485 /nfs/dbraw/zinc/64/44/85/1426644485.db2.gz PAFOQYOKUXFBEJ-UHFFFAOYSA-N -1 1 327.388 2.788 20 30 EFEDMM Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000737329418 1426705140 /nfs/dbraw/zinc/70/51/40/1426705140.db2.gz LUMIHIWSPBFFHD-UHFFFAOYSA-N -1 1 332.367 2.536 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000737065324 1426776568 /nfs/dbraw/zinc/77/65/68/1426776568.db2.gz JBYBNQRPAABYQP-YCRREMRBSA-N -1 1 336.351 2.780 20 30 EFEDMM C#CC(C)(C)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735374924 1426796954 /nfs/dbraw/zinc/79/69/54/1426796954.db2.gz GFLVNAIPPIRBPT-UHFFFAOYSA-N -1 1 346.394 2.752 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1cccc(F)c1 ZINC000826172964 1426820150 /nfs/dbraw/zinc/82/01/50/1426820150.db2.gz GNGYVRDCWMUHLG-UHFFFAOYSA-N -1 1 327.319 2.565 20 30 EFEDMM C=C(Br)CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823874633 1427015867 /nfs/dbraw/zinc/01/58/67/1427015867.db2.gz XKENQQGXJFIVBU-UHFFFAOYSA-N -1 1 329.589 2.544 20 30 EFEDMM COc1ccc(C=C2CCc3c(O)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000821786575 1427141201 /nfs/dbraw/zinc/14/12/01/1427141201.db2.gz FQIDPWJLVDUEAY-FMIVXFBMSA-N -1 1 348.362 2.793 20 30 EFEDMM C#CCOc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000819710227 1427145009 /nfs/dbraw/zinc/14/50/09/1427145009.db2.gz ZLZNHZYMAHSNEX-UHFFFAOYSA-N -1 1 329.360 2.691 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2nccc3ccccc32)o1 ZINC000735940156 1427271893 /nfs/dbraw/zinc/27/18/93/1427271893.db2.gz WOFZEOKXYWVBLA-UHFFFAOYSA-N -1 1 348.370 2.972 20 30 EFEDMM Cc1c(NCCCOc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822122751 1427291756 /nfs/dbraw/zinc/29/17/56/1427291756.db2.gz PWOFFPOECFRNFM-UHFFFAOYSA-N -1 1 334.383 2.928 20 30 EFEDMM C=CCOCCCC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819759359 1427318985 /nfs/dbraw/zinc/31/89/85/1427318985.db2.gz VDJLTMSIBULDTC-UHFFFAOYSA-N -1 1 345.403 2.575 20 30 EFEDMM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1O ZINC000821712108 1427439015 /nfs/dbraw/zinc/43/90/15/1427439015.db2.gz CQBYPCMJWBMVFE-JYRVWZFOSA-N -1 1 348.362 2.793 20 30 EFEDMM C#CC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000735374559 1427465507 /nfs/dbraw/zinc/46/55/07/1427465507.db2.gz DZLKXOZQLDSILR-FMQWLBJXSA-N -1 1 345.362 2.583 20 30 EFEDMM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823958609 1427540491 /nfs/dbraw/zinc/54/04/91/1427540491.db2.gz SLZBQXMMKJDJJZ-UHFFFAOYSA-N -1 1 348.292 2.512 20 30 EFEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826246675 1427557341 /nfs/dbraw/zinc/55/73/41/1427557341.db2.gz JDZRWKUEJUSSRT-KRWDZBQOSA-N -1 1 346.394 2.950 20 30 EFEDMM O=C(C=C1COc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399972 1427835731 /nfs/dbraw/zinc/83/57/31/1427835731.db2.gz LRYQVYNZHINLDY-UXBLZVDNSA-N -1 1 340.289 2.804 20 30 EFEDMM C=CCOc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823932330 1427991166 /nfs/dbraw/zinc/99/11/66/1427991166.db2.gz VBFFKYGVZTVGKI-UHFFFAOYSA-N -1 1 338.367 2.889 20 30 EFEDMM CCc1nc(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)cs1 ZINC000825744783 1428055656 /nfs/dbraw/zinc/05/56/56/1428055656.db2.gz DXIQGHCMPMPVDX-UHFFFAOYSA-N -1 1 346.420 2.518 20 30 EFEDMM N#CCCN(Cc1ccco1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000822811460 1429951218 /nfs/dbraw/zinc/95/12/18/1429951218.db2.gz ZKPJPIPHOUQIPE-UHFFFAOYSA-N -1 1 326.335 2.515 20 30 EFEDMM COc1ccc(C=NNc2cc(F)c(F)cc2F)cc1-c1nnn[n-]1 ZINC000737080675 1429998954 /nfs/dbraw/zinc/99/89/54/1429998954.db2.gz FYDOGDDZESZMQY-UHFFFAOYSA-N -1 1 348.288 2.739 20 30 EFEDMM C=C[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729980 1430001081 /nfs/dbraw/zinc/00/10/81/1430001081.db2.gz ONPGHHLWTIOTLN-ZDUSSCGKSA-N -1 1 349.394 2.750 20 30 EFEDMM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000825806788 1430016495 /nfs/dbraw/zinc/01/64/95/1430016495.db2.gz DZAPBXPJVBFFLJ-AATRIKPKSA-N -1 1 328.401 2.658 20 30 EFEDMM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000822837906 1430092422 /nfs/dbraw/zinc/09/24/22/1430092422.db2.gz XWSRGXSNDLIRGU-SXGWCWSVSA-N -1 1 327.347 2.951 20 30 EFEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)OCC ZINC000823874749 1430222433 /nfs/dbraw/zinc/22/24/33/1430222433.db2.gz YNBCTVJYAWAMRN-CYBMUJFWSA-N -1 1 335.795 2.830 20 30 EFEDMM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825879009 1441428121 /nfs/dbraw/zinc/42/81/21/1441428121.db2.gz FTJIWMUHYJVBBS-VMPITWQZSA-N -1 1 325.397 2.890 20 30 EFEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821769427 1441453424 /nfs/dbraw/zinc/45/34/24/1441453424.db2.gz HLUNLGUMUROUNR-GQCTYLIASA-N -1 1 342.380 2.842 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CC(c3ccc(F)cc3)C2)o1 ZINC000822423363 1441533196 /nfs/dbraw/zinc/53/31/96/1441533196.db2.gz KIFDVTGNIOADEG-UHFFFAOYSA-N -1 1 327.323 2.648 20 30 EFEDMM CCCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821148960 1441564471 /nfs/dbraw/zinc/56/44/71/1441564471.db2.gz QXGRSYAYEZGGNF-KTKRTIGZSA-N -1 1 336.399 2.986 20 30 EFEDMM O=C(C=Cc1cccnc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403484 1441613452 /nfs/dbraw/zinc/61/34/52/1441613452.db2.gz UALYNBJTYLBFRQ-GQCTYLIASA-N -1 1 329.722 2.950 20 30 EFEDMM N#Cc1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000822822890 1441619736 /nfs/dbraw/zinc/61/97/36/1441619736.db2.gz GYDDXENPPXJBHG-UHFFFAOYSA-N -1 1 342.721 2.783 20 30 EFEDMM C=CCCCOC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735412664 1441666135 /nfs/dbraw/zinc/66/61/35/1441666135.db2.gz HOZWBTIWCGPMSD-HNNXBMFYSA-N -1 1 330.388 2.780 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(O)c(C)c1 ZINC000823914160 1441750795 /nfs/dbraw/zinc/75/07/95/1441750795.db2.gz BWQPZWFZGCLNJH-UHFFFAOYSA-N -1 1 349.394 2.709 20 30 EFEDMM C=CCN(Cc1ccn(C(C)C)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735425387 1441754561 /nfs/dbraw/zinc/75/45/61/1441754561.db2.gz AMMQMTXTWWEITI-UHFFFAOYSA-N -1 1 337.431 2.832 20 30 EFEDMM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C#N)nc2ccccc21 ZINC000736817533 1441842295 /nfs/dbraw/zinc/84/22/95/1441842295.db2.gz CLKWRLKQTJMBOM-UHFFFAOYSA-N -1 1 341.378 2.923 20 30 EFEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)SC ZINC000823909961 1441871359 /nfs/dbraw/zinc/87/13/59/1441871359.db2.gz UJZLRKBNZUXXGC-GFCCVEGCSA-N -1 1 331.445 2.523 20 30 EFEDMM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826167041 1441935697 /nfs/dbraw/zinc/93/56/97/1441935697.db2.gz MXDKERDXFXKWGA-SOFGYWHQSA-N -1 1 340.314 2.616 20 30 EFEDMM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953706 1441943709 /nfs/dbraw/zinc/94/37/09/1441943709.db2.gz MNXHDJODDFPWIW-UHFFFAOYSA-N -1 1 346.316 2.798 20 30 EFEDMM C#Cc1cccc(NC(=S)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391330 1441945234 /nfs/dbraw/zinc/94/52/34/1441945234.db2.gz PQHMBWNBXLLVEU-LBPRGKRZSA-N -1 1 348.435 2.896 20 30 EFEDMM C[C@H](CC#N)OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735974161 1442096494 /nfs/dbraw/zinc/09/64/94/1442096494.db2.gz JSPHPAUJYYWCHO-GFCCVEGCSA-N -1 1 333.351 2.993 20 30 EFEDMM C=CCCCCCN(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735408122 1442109501 /nfs/dbraw/zinc/10/95/01/1442109501.db2.gz GHWCSIFXAMMPFT-AWEZNQCLSA-N -1 1 343.431 2.839 20 30 EFEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(C)oc1C ZINC000823953567 1442153068 /nfs/dbraw/zinc/15/30/68/1442153068.db2.gz HEGRGSPLTZZIFU-UHFFFAOYSA-N -1 1 331.767 2.961 20 30 EFEDMM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736351677 1442157325 /nfs/dbraw/zinc/15/73/25/1442157325.db2.gz QWSDXGRHBUWFRV-CQSZACIVSA-N -1 1 346.394 2.946 20 30 EFEDMM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(C#N)c1 ZINC000820462684 1442217337 /nfs/dbraw/zinc/21/73/37/1442217337.db2.gz ZXJAUFACJHAWQU-VIFPVBQESA-N -1 1 325.763 2.960 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716156 1442237347 /nfs/dbraw/zinc/23/73/47/1442237347.db2.gz LQOIRVQNNLJIQV-AWEZNQCLSA-N -1 1 348.391 2.566 20 30 EFEDMM CC(C)(C)CN(CCC#N)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735603094 1442244935 /nfs/dbraw/zinc/24/49/35/1442244935.db2.gz WWAXNQRQSXIDBJ-UHFFFAOYSA-N -1 1 337.431 2.881 20 30 EFEDMM CC(C)(C)CN(CCC#N)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735603094 1442244937 /nfs/dbraw/zinc/24/49/37/1442244937.db2.gz WWAXNQRQSXIDBJ-UHFFFAOYSA-N -1 1 337.431 2.881 20 30 EFEDMM C[C@H](CC#N)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735963758 1442324209 /nfs/dbraw/zinc/32/42/09/1442324209.db2.gz LWTUAKXDYCTLOE-GFCCVEGCSA-N -1 1 347.382 2.642 20 30 EFEDMM C[C@H](NCc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824613054 1442366883 /nfs/dbraw/zinc/36/68/83/1442366883.db2.gz RFTBTSDZPYUJPY-LBPRGKRZSA-N -1 1 336.374 2.923 20 30 EFEDMM C[C@H](NCc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824613054 1442366886 /nfs/dbraw/zinc/36/68/86/1442366886.db2.gz RFTBTSDZPYUJPY-LBPRGKRZSA-N -1 1 336.374 2.923 20 30 EFEDMM COc1cc(-c2nnn[n-]2)ccc1OCC#Cc1ccc(Cl)cc1 ZINC000821700774 1442406734 /nfs/dbraw/zinc/40/67/34/1442406734.db2.gz XDLZQJLKJNJDNF-UHFFFAOYSA-N -1 1 340.770 2.959 20 30 EFEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCc3ccc(F)cc32)o1 ZINC000820198209 1442458583 /nfs/dbraw/zinc/45/85/83/1442458583.db2.gz SNUKTQYEFSIXTH-UHFFFAOYSA-N -1 1 341.350 2.880 20 30 EFEDMM Cc1ccoc1C(C)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000819782901 1443067184 /nfs/dbraw/zinc/06/71/84/1443067184.db2.gz RDZFPWLDUOURFX-UHFFFAOYSA-N -1 1 329.364 2.791 20 30 EFEDMM C=C(C)CN(CC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819722262 1443126933 /nfs/dbraw/zinc/12/69/33/1443126933.db2.gz FOYQYIGALOMNFX-UHFFFAOYSA-N -1 1 339.359 2.726 20 30 EFEDMM C[C@@H](C#N)CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000824035311 1443209565 /nfs/dbraw/zinc/20/95/65/1443209565.db2.gz WQBQNPOBMZQKJL-VIFPVBQESA-N -1 1 345.794 2.676 20 30 EFEDMM COc1ccc(C=CC(=O)c2ccc(C#N)c(F)c2)cc1-c1nnn[n-]1 ZINC000826190910 1443302239 /nfs/dbraw/zinc/30/22/39/1443302239.db2.gz QNRRIOXNPYKZCT-QHHAFSJGSA-N -1 1 349.325 2.782 20 30 EFEDMM C#Cc1cccc(N(C)Cc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000735391413 1443329979 /nfs/dbraw/zinc/32/99/79/1443329979.db2.gz SMNZQIUMKMIYRI-UHFFFAOYSA-N -1 1 328.379 2.737 20 30 EFEDMM C=CC[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000735410270 1443388223 /nfs/dbraw/zinc/38/82/23/1443388223.db2.gz YSPJSCZKDCTSQG-SECBINFHSA-N -1 1 344.444 2.555 20 30 EFEDMM Cc1nc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)s1 ZINC000737474191 1443409786 /nfs/dbraw/zinc/40/97/86/1443409786.db2.gz OQFLKWCKQMLRFE-UHFFFAOYSA-N -1 1 346.420 2.672 20 30 EFEDMM O=C(C=Cc1ccn(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403339 1443422898 /nfs/dbraw/zinc/42/28/98/1443422898.db2.gz PJHIVXANBPWLFP-MDZDMXLPSA-N -1 1 342.362 2.949 20 30 EFEDMM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735581231 1443423050 /nfs/dbraw/zinc/42/30/50/1443423050.db2.gz QYRUZPAEERCDJH-UHFFFAOYSA-N -1 1 332.367 2.655 20 30 EFEDMM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819773995 1443430795 /nfs/dbraw/zinc/43/07/95/1443430795.db2.gz ZYMFHDDESOVDBS-UHFFFAOYSA-N -1 1 343.394 2.929 20 30 EFEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc3c(s2)CCC3)o1 ZINC000819782497 1443510162 /nfs/dbraw/zinc/51/01/62/1443510162.db2.gz MLIGWNGGVAYNAL-UHFFFAOYSA-N -1 1 329.389 2.549 20 30 EFEDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@](C)(C#N)C1 ZINC000826304638 1443597872 /nfs/dbraw/zinc/59/78/72/1443597872.db2.gz SNWSVUICQKRENC-GOSISDBHSA-N -1 1 333.399 2.853 20 30 EFEDMM Cc1ccccc1C=NOCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737423418 1443655704 /nfs/dbraw/zinc/65/57/04/1443655704.db2.gz PPDCNNVLWCZCMH-UHFFFAOYSA-N -1 1 337.383 2.995 20 30 EFEDMM C#CCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823855815 1443670538 /nfs/dbraw/zinc/67/05/38/1443670538.db2.gz AQJADYJQWXAKCK-UHFFFAOYSA-N -1 1 347.378 2.545 20 30 EFEDMM N#Cc1ccc(NC(=O)C=Cc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000737716004 1443704286 /nfs/dbraw/zinc/70/42/86/1443704286.db2.gz JWMCQQHBQUIXPS-QPJJXVBHSA-N -1 1 334.314 2.529 20 30 EFEDMM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826217567 1443758583 /nfs/dbraw/zinc/75/85/83/1443758583.db2.gz SNWJSUVJMZKJRT-SREVYHEPSA-N -1 1 342.380 2.842 20 30 EFEDMM CC(C)c1csc([C@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cs2)n1 ZINC000820196790 1443769623 /nfs/dbraw/zinc/76/96/23/1443769623.db2.gz CQVXVVXGECRFRO-SECBINFHSA-N -1 1 344.425 2.998 20 30 EFEDMM CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1cc(C)ccc1OC ZINC000825028029 1443785626 /nfs/dbraw/zinc/78/56/26/1443785626.db2.gz CZWPDJYUBIFLKC-UHFFFAOYSA-N -1 1 341.375 2.706 20 30 EFEDMM C=CCC1(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CCCCC1 ZINC000913439020 1443875937 /nfs/dbraw/zinc/87/59/37/1443875937.db2.gz WHRFNQSEWSQBDQ-OAHLLOKOSA-N -1 1 325.416 2.932 20 30 EFEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000821849436 1443933814 /nfs/dbraw/zinc/93/38/14/1443933814.db2.gz IMXBRGAUFIAZSW-QPEQYQDCSA-N -1 1 336.326 2.837 20 30 EFEDMM N#C[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000826379920 1443952934 /nfs/dbraw/zinc/95/29/34/1443952934.db2.gz GXMMTUHEIHEKBD-MRXNPFEDSA-N -1 1 339.399 2.815 20 30 EFEDMM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000735581492 1443988500 /nfs/dbraw/zinc/98/85/00/1443988500.db2.gz VFYZKIYDNVVZMG-UHFFFAOYSA-N -1 1 338.396 2.716 20 30 EFEDMM CC(=NNc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958631 1444008276 /nfs/dbraw/zinc/00/82/76/1444008276.db2.gz UAIMAQRHXHXHPI-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC000826384609 1446153565 /nfs/dbraw/zinc/15/35/65/1446153565.db2.gz CEKAIVGKMRYNBP-XQRVVYSFSA-N -1 1 337.289 2.913 20 30 EFEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC2CC(C)(C)OC2(C)C)o1 ZINC000820585763 1446195344 /nfs/dbraw/zinc/19/53/44/1446195344.db2.gz PJWLBNWHQBPGKH-UHFFFAOYSA-N -1 1 347.423 2.898 20 30 EFEDMM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Cl ZINC000737315378 1446291440 /nfs/dbraw/zinc/29/14/40/1446291440.db2.gz NEDMTUXNCLPYQQ-UHFFFAOYSA-N -1 1 338.758 2.953 20 30 EFEDMM CCc1noc(C)c1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000821553784 1446348321 /nfs/dbraw/zinc/34/83/21/1446348321.db2.gz KAQHVYBDAYIBAS-UHFFFAOYSA-N -1 1 344.379 2.673 20 30 EFEDMM C=CC1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402530 1446457567 /nfs/dbraw/zinc/45/75/67/1446457567.db2.gz DYASZXYAIIMXQQ-LBPRGKRZSA-N -1 1 326.404 2.535 20 30 EFEDMM C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824034852 1446500595 /nfs/dbraw/zinc/50/05/95/1446500595.db2.gz PVHSOUBHBHJBHZ-NSHDSACASA-N -1 1 338.346 2.909 20 30 EFEDMM COCC#CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826147509 1446515196 /nfs/dbraw/zinc/51/51/96/1446515196.db2.gz ZMBQNOLTDOFGEW-UHFFFAOYSA-N -1 1 328.319 2.627 20 30 EFEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCCO2 ZINC000822923268 1446567131 /nfs/dbraw/zinc/56/71/31/1446567131.db2.gz PJARQCYNAQROOW-DUXPYHPUSA-N -1 1 340.364 2.596 20 30 EFEDMM C[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C#N ZINC000824714016 1446632034 /nfs/dbraw/zinc/63/20/34/1446632034.db2.gz LXFCKULHMGKMIA-NSHDSACASA-N -1 1 345.428 2.581 20 30 EFEDMM C#CCCCCC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823838522 1446792027 /nfs/dbraw/zinc/79/20/27/1446792027.db2.gz QSNRASDDHILPNH-UHFFFAOYSA-N -1 1 327.388 2.786 20 30 EFEDMM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823962918 1446856419 /nfs/dbraw/zinc/85/64/19/1446856419.db2.gz RQWCDPWOGJTSOB-UHFFFAOYSA-N -1 1 336.384 2.708 20 30 EFEDMM CC(C)Oc1ccc(NC(=O)C2(C#N)CCCC2)cc1-c1nnn[n-]1 ZINC000820161049 1446860640 /nfs/dbraw/zinc/86/06/40/1446860640.db2.gz SPIZSTWCYHTVBJ-UHFFFAOYSA-N -1 1 340.387 2.676 20 30 EFEDMM C[C@H](OC(=O)c1sccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518635 1446894392 /nfs/dbraw/zinc/89/43/92/1446894392.db2.gz IBSXLJRNBYMRCZ-VIFPVBQESA-N -1 1 325.353 2.718 20 30 EFEDMM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C#N)cs2)s1 ZINC000821466317 1446930654 /nfs/dbraw/zinc/93/06/54/1446930654.db2.gz VSZNOGSORQZEKY-UHFFFAOYSA-N -1 1 330.398 2.676 20 30 EFEDMM Cc1c(NC(=O)N(C)Cc2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC000822075292 1446956671 /nfs/dbraw/zinc/95/66/71/1446956671.db2.gz AYWKBGYCWNWJRS-UHFFFAOYSA-N -1 1 347.382 2.711 20 30 EFEDMM CC(C)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC000820192713 1446975929 /nfs/dbraw/zinc/97/59/29/1446975929.db2.gz WCTWVUQZLWXWFO-UHFFFAOYSA-N -1 1 333.355 2.509 20 30 EFEDMM COc1cccc(OC)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826217736 1447006434 /nfs/dbraw/zinc/00/64/34/1447006434.db2.gz ZVJBTQMETYJVGT-MDZDMXLPSA-N -1 1 336.351 2.780 20 30 EFEDMM C=C[C@H](CC)CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000935416102 1447065843 /nfs/dbraw/zinc/06/58/43/1447065843.db2.gz IEZKWHBVQKAMMG-YMTOWFKASA-N -1 1 337.786 2.800 20 30 EFEDMM COc1ccsc1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000821910993 1447299558 /nfs/dbraw/zinc/29/95/58/1447299558.db2.gz KVUJJKUNNPRIRR-UHFFFAOYSA-N -1 1 347.404 2.569 20 30 EFEDMM C=C[C@H](CC)CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000935416100 1447333990 /nfs/dbraw/zinc/33/39/90/1447333990.db2.gz IEZKWHBVQKAMMG-OTYXRUKQSA-N -1 1 337.786 2.800 20 30 EFEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000737715571 1449041541 /nfs/dbraw/zinc/04/15/41/1449041541.db2.gz BINNGLFXOGWUFJ-GDBMZVCRSA-N -1 1 336.399 2.893 20 30 EFEDMM N#C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000826379828 1449134289 /nfs/dbraw/zinc/13/42/89/1449134289.db2.gz CZLBTGGXGSZYIX-CYBMUJFWSA-N -1 1 347.325 2.774 20 30 EFEDMM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000736157053 1449167330 /nfs/dbraw/zinc/16/73/30/1449167330.db2.gz YOHQOZGSOSUXSQ-LBPRGKRZSA-N -1 1 333.351 2.585 20 30 EFEDMM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1O)c1ccccc1 ZINC000823883287 1449236481 /nfs/dbraw/zinc/23/64/81/1449236481.db2.gz NGSQMNJBPSIGBH-LBPRGKRZSA-N -1 1 335.367 2.871 20 30 EFEDMM Fc1ccc2c(c1)OCCCC2=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826375843 1449401540 /nfs/dbraw/zinc/40/15/40/1449401540.db2.gz DPODCQNBLNFLGW-UHFFFAOYSA-N -1 1 338.346 2.995 20 30 EFEDMM C=CCOc1cccc(CNCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000819758656 1449402635 /nfs/dbraw/zinc/40/26/35/1449402635.db2.gz DLEICEPHYFBLEA-UHFFFAOYSA-N -1 1 339.374 2.860 20 30 EFEDMM C=CCOc1cccc(CNCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000819758656 1449402640 /nfs/dbraw/zinc/40/26/40/1449402640.db2.gz DLEICEPHYFBLEA-UHFFFAOYSA-N -1 1 339.374 2.860 20 30 EFEDMM C[C@H](OC(=O)c1ccccc1OCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824724004 1449462220 /nfs/dbraw/zinc/46/22/20/1449462220.db2.gz WWKZSDBMDHDTSE-LBPRGKRZSA-N -1 1 349.350 2.687 20 30 EFEDMM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958664 1449478794 /nfs/dbraw/zinc/47/87/94/1449478794.db2.gz UUUHOCGGYQAHAQ-UHFFFAOYSA-N -1 1 341.306 2.750 20 30 EFEDMM C[C@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820322451 1449689631 /nfs/dbraw/zinc/68/96/31/1449689631.db2.gz STIKCSNMJJTCEI-XPSMFNQNSA-N -1 1 344.378 2.629 20 30 EFEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(F)ccc(F)c21 ZINC000826475989 1449738662 /nfs/dbraw/zinc/73/86/62/1449738662.db2.gz YBQJDRYDEZEFKS-FNORWQNLSA-N -1 1 346.318 2.865 20 30 EFEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1cccnc1 ZINC000819743880 1449753503 /nfs/dbraw/zinc/75/35/03/1449753503.db2.gz SAASMWAGDHRWSJ-AWEZNQCLSA-N -1 1 348.410 2.580 20 30 EFEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824035380 1449847371 /nfs/dbraw/zinc/84/73/71/1449847371.db2.gz YFARYTWATVFVDN-NSHDSACASA-N -1 1 349.354 2.802 20 30 EFEDMM C#CCCCCCC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823841729 1449866117 /nfs/dbraw/zinc/86/61/17/1449866117.db2.gz RZUVANFJPFYSIP-UHFFFAOYSA-N -1 1 337.427 2.965 20 30 EFEDMM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1F ZINC000736733186 1449932511 /nfs/dbraw/zinc/93/25/11/1449932511.db2.gz PMNNWZGGRLINQK-VQHVLOKHSA-N -1 1 348.341 2.554 20 30 EFEDMM C=CC[C@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735410362 1449935644 /nfs/dbraw/zinc/93/56/44/1449935644.db2.gz ZUZDPVOCQDTELA-AWEZNQCLSA-N -1 1 342.447 2.999 20 30 EFEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)n1 ZINC000826178253 1449943054 /nfs/dbraw/zinc/94/30/54/1449943054.db2.gz PZBQPEHESBXEGO-PLNGDYQASA-N -1 1 341.396 2.845 20 30 EFEDMM CCCCCCCCCCC(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000907943975 1449952989 /nfs/dbraw/zinc/95/29/89/1449952989.db2.gz OERKKDXLYSVMAG-UHFFFAOYSA-N -1 1 337.468 2.541 20 30 EFEDMM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cn1 ZINC000823958056 1450024255 /nfs/dbraw/zinc/02/42/55/1450024255.db2.gz ABGGRMFNPRATFM-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cn1 ZINC000823958056 1450024259 /nfs/dbraw/zinc/02/42/59/1450024259.db2.gz ABGGRMFNPRATFM-UHFFFAOYSA-N -1 1 331.742 2.890 20 30 EFEDMM C=CC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819729651 1450134228 /nfs/dbraw/zinc/13/42/28/1450134228.db2.gz KAIHWVWZSOMWMG-MRVPVSSYSA-N -1 1 340.309 2.972 20 30 EFEDMM Clc1cc(NN=Cc2cnn3ccccc23)ccc1-c1nnn[n-]1 ZINC000826351698 1450166268 /nfs/dbraw/zinc/16/62/68/1450166268.db2.gz WPLQTLNLTHZSLE-UHFFFAOYSA-N -1 1 338.762 2.614 20 30 EFEDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000736487984 1450177074 /nfs/dbraw/zinc/17/70/74/1450177074.db2.gz MRBZAYAGFQSGAV-UHFFFAOYSA-N -1 1 347.382 2.813 20 30 EFEDMM C=C1CCC(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)CC1 ZINC000907414621 1450181001 /nfs/dbraw/zinc/18/10/01/1450181001.db2.gz ZNRXHOUBNHLDGX-CQSZACIVSA-N -1 1 349.797 2.944 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826256972 1450209753 /nfs/dbraw/zinc/20/97/53/1450209753.db2.gz ITKJDRXQVSSLAI-LBPRGKRZSA-N -1 1 332.367 2.538 20 30 EFEDMM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735408834 1450252593 /nfs/dbraw/zinc/25/25/93/1450252593.db2.gz SCDWIMHSWOWMDB-UHFFFAOYSA-N -1 1 346.410 2.894 20 30 EFEDMM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)nc21 ZINC000737405448 1450314228 /nfs/dbraw/zinc/31/42/28/1450314228.db2.gz GJHQICGSSCNZFF-ZDUSSCGKSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)[nH]c21 ZINC000737405448 1450314229 /nfs/dbraw/zinc/31/42/29/1450314229.db2.gz GJHQICGSSCNZFF-ZDUSSCGKSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)[nH]c21 ZINC000737405448 1450314233 /nfs/dbraw/zinc/31/42/33/1450314233.db2.gz GJHQICGSSCNZFF-ZDUSSCGKSA-N -1 1 343.350 2.542 20 30 EFEDMM Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826256971 1450428100 /nfs/dbraw/zinc/42/81/00/1450428100.db2.gz ITKJDRXQVSSLAI-GFCCVEGCSA-N -1 1 332.367 2.538 20 30 EFEDMM N#Cc1ccc(Cl)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891616187 714861063 /nfs/dbraw/zinc/86/10/63/714861063.db2.gz ZFZHBISRCIFNRL-UHFFFAOYSA-N -1 1 328.759 2.838 20 30 EFEDMM [O-]c1c(O)cc(C=NNc2ccnc(F)c2)cc1Br ZINC000781129012 716012988 /nfs/dbraw/zinc/01/29/88/716012988.db2.gz AWMXHFHWUGDZRL-UHFFFAOYSA-N -1 1 326.125 2.840 20 30 EFEDMM CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1O ZINC000972815611 717356166 /nfs/dbraw/zinc/35/61/66/717356166.db2.gz VBPPAEKSONQEQD-HXUWFJFHSA-N -1 1 348.446 2.884 20 30 EFEDMM O=C1[C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCCN1O ZINC000895159064 723487436 /nfs/dbraw/zinc/48/74/36/723487436.db2.gz RKHHCJXTCFPANO-CYBMUJFWSA-N -1 1 337.832 2.933 20 30 EFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1F ZINC000179025145 723819349 /nfs/dbraw/zinc/81/93/49/723819349.db2.gz SOCVTQDYNHEXCZ-UHFFFAOYSA-N -1 1 348.355 2.593 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)c(Cl)c1 ZINC000731154736 726813199 /nfs/dbraw/zinc/81/31/99/726813199.db2.gz AJDQABFRLNVTOV-UHFFFAOYSA-N -1 1 337.170 2.575 20 30 EFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(Cl)sc1Cl ZINC000731155256 726813325 /nfs/dbraw/zinc/81/33/25/726813325.db2.gz VSQNSYOJWSZTSY-UHFFFAOYSA-N -1 1 343.199 2.636 20 30 EFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)c1 ZINC000731177815 726815408 /nfs/dbraw/zinc/81/54/08/726815408.db2.gz KFNRIRNTNGSFEC-UHFFFAOYSA-N -1 1 329.377 2.564 20 30 EFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1C#N ZINC000324444259 727252543 /nfs/dbraw/zinc/25/25/43/727252543.db2.gz XEGIDLJZLIMGAS-UHFFFAOYSA-N -1 1 327.365 2.570 20 30 EFEDMM CCCCC(CC)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000732925033 727341634 /nfs/dbraw/zinc/34/16/34/727341634.db2.gz PDZYOZKXGXNZTD-UHFFFAOYSA-N -1 1 327.406 2.970 20 30 EFEDMM C[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1noc(C(F)(F)F)n1 ZINC000910746992 727461258 /nfs/dbraw/zinc/46/12/58/727461258.db2.gz QCOVJRLDDUQQQW-GSVOUGTGSA-N -1 1 341.158 2.853 20 30 EFEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)cc1[O-] ZINC000912097179 727649683 /nfs/dbraw/zinc/64/96/83/727649683.db2.gz DFFGLGOKKCCHEL-PKOBYXMFSA-N -1 1 336.391 2.992 20 30 EFEDMM COc1cccc2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)oc21 ZINC000916136890 727659885 /nfs/dbraw/zinc/65/98/85/727659885.db2.gz BXVHBQPZLGBXHT-MOEXGYKKSA-N -1 1 326.304 2.670 20 30 EFEDMM CCOc1cccc(C=NNc2nc(C)cc(=O)[n-]2)c1OC(F)F ZINC000916241899 727670540 /nfs/dbraw/zinc/67/05/40/727670540.db2.gz ZTAVHQGHFNHHIV-UHFFFAOYSA-N -1 1 338.314 2.937 20 30 EFEDMM C#CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000916613232 727701696 /nfs/dbraw/zinc/70/16/96/727701696.db2.gz UPRWQONERDAUDH-UHFFFAOYSA-N -1 1 343.404 2.894 20 30 EFEDMM C#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000916620559 727702170 /nfs/dbraw/zinc/70/21/70/727702170.db2.gz LYMASCQUKFCOFQ-UHFFFAOYSA-N -1 1 349.795 2.931 20 30 EFEDMM N#CCCN(Cc1ccccn1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182406355 728146063 /nfs/dbraw/zinc/14/60/63/728146063.db2.gz XYYDUAPLIYSTCP-UHFFFAOYSA-N -1 1 335.363 2.809 20 30 EFEDMM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000170710533 728467122 /nfs/dbraw/zinc/46/71/22/728467122.db2.gz URVAFLIVTSWFSV-UHFFFAOYSA-N -1 1 347.367 2.725 20 30 EFEDMM C=CCOC(=O)c1sc2[n-]c(-c3cccc(F)n3)nc(=O)c2c1C ZINC000155142386 729117597 /nfs/dbraw/zinc/11/75/97/729117597.db2.gz CQUWVNNXKXFTEL-UHFFFAOYSA-N -1 1 345.355 2.837 20 30 EFEDMM CCNc1nc(N=NCc2ccc([O-])c(Cl)c2)nc(NCC)n1 ZINC000921254965 729279266 /nfs/dbraw/zinc/27/92/66/729279266.db2.gz HFTCMVMPPCTYLD-UHFFFAOYSA-N -1 1 335.799 2.540 20 30 EFEDMM Cn1c(=O)c2ccccc2nc1NN=Cc1ccc([O-])c(Cl)c1 ZINC000921255901 729279409 /nfs/dbraw/zinc/27/94/09/729279409.db2.gz GNFRKKLGHZUPMA-UHFFFAOYSA-N -1 1 328.759 2.739 20 30 EFEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)co2)cc1 ZINC000175316043 729494086 /nfs/dbraw/zinc/49/40/86/729494086.db2.gz VKKMAUNBMXWGEM-IWAYRVGRSA-N -1 1 337.331 2.878 20 30 EFEDMM