smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(Cc2csc(NC(=O)C[C@@H]3C=CCC3)n2)n[n-]c1=S ZINC000023041890 695659365 /nfs/dbraw/zinc/65/93/65/695659365.db2.gz OSOACVCTMTYFTC-LLVKDONJSA-N -1 1 361.496 3.469 20 30 FGEDMM N#CCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000046583135 695843231 /nfs/dbraw/zinc/84/32/31/695843231.db2.gz UALLFTXAQLJXAX-UHFFFAOYSA-N -1 1 362.382 3.087 20 30 FGEDMM N#C[C@H](C(=O)Cc1ccsc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707091 695845258 /nfs/dbraw/zinc/84/52/58/695845258.db2.gz CSCNWZMJRRIXKZ-GFCCVEGCSA-N -1 1 369.471 3.344 20 30 FGEDMM CC(=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000048818142 695889815 /nfs/dbraw/zinc/88/98/15/695889815.db2.gz LRTVYAICAWGFHR-AORWBKJGSA-N -1 1 353.447 3.396 20 30 FGEDMM CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000072079775 695959478 /nfs/dbraw/zinc/95/94/78/695959478.db2.gz NNPKZLAPMBYMRK-KRXBUXKQSA-N -1 1 351.811 3.313 20 30 FGEDMM COCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)o1 ZINC000130348944 700800312 /nfs/dbraw/zinc/80/03/12/700800312.db2.gz RHXBTBMYJXTSGD-LBPRGKRZSA-N -1 1 362.769 3.049 20 30 FGEDMM CC[C@@H](SC)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156277790 705109081 /nfs/dbraw/zinc/10/90/81/705109081.db2.gz PHTVUVUYJBFMMF-GHMZBOCLSA-N -1 1 361.492 3.181 20 30 FGEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000160183742 705246791 /nfs/dbraw/zinc/24/67/91/705246791.db2.gz WRCWBAVJKIFFCJ-SECBINFHSA-N -1 1 351.790 3.459 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000619462102 714838886 /nfs/dbraw/zinc/83/88/86/714838886.db2.gz BVTWWGMANADKBK-UHFFFAOYSA-N -1 1 356.447 3.480 20 30 FGEDMM C[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1nc(C(F)(F)F)no1 ZINC000627816699 716074616 /nfs/dbraw/zinc/07/46/16/716074616.db2.gz SRNAJUKMICVGQU-GSVOUGTGSA-N -1 1 357.185 3.136 20 30 FGEDMM N#CC(=C([O-])c1cnc2n1CCOC2)c1nc2cc(Cl)ccc2s1 ZINC000659053729 719859178 /nfs/dbraw/zinc/85/91/78/719859178.db2.gz TUOYZTMPYIYRRX-JTQLQIEISA-N -1 1 358.810 3.166 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000782887649 724706410 /nfs/dbraw/zinc/70/64/10/724706410.db2.gz OSANHUACWJCVAH-BNCCVWRVSA-N -1 1 357.728 3.382 20 30 FGEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NO)cc1 ZINC000742824060 722560395 /nfs/dbraw/zinc/56/03/95/722560395.db2.gz MQNZGPHCOQGLLM-UHFFFAOYSA-N -1 1 362.451 3.212 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1 ZINC000746492898 722604909 /nfs/dbraw/zinc/60/49/09/722604909.db2.gz ZFARVVLYEWLIPI-UHFFFAOYSA-N -1 1 361.423 3.055 20 30 FGEDMM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1cc(Br)c(F)cc1[O-] ZINC000746565881 722608830 /nfs/dbraw/zinc/60/88/30/722608830.db2.gz ROUULBKTFXWWEJ-UHFFFAOYSA-N -1 1 369.150 3.433 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000748248008 722681510 /nfs/dbraw/zinc/68/15/10/722681510.db2.gz BLZFPUMVHWPAPX-UHFFFAOYSA-N -1 1 371.777 3.090 20 30 FGEDMM O=C(/C=C\c1cc2c(cc1OC(F)F)OCO2)c1cc(O)ccc1[O-] ZINC000757468387 722976571 /nfs/dbraw/zinc/97/65/71/722976571.db2.gz UAVMELKIOZOJGG-IWQZZHSRSA-N -1 1 350.273 3.324 20 30 FGEDMM COc1cc(F)cc(NN=Cc2cc(O)c([O-])c(Br)c2)c1 ZINC000759213044 723001559 /nfs/dbraw/zinc/00/15/59/723001559.db2.gz ULXOZQZAAVEULE-UHFFFAOYSA-N -1 1 355.163 3.454 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1C#N ZINC000794016586 723483545 /nfs/dbraw/zinc/48/35/45/723483545.db2.gz DESMQQSODXYFST-UHFFFAOYSA-N -1 1 362.430 3.046 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2Br)c1 ZINC000794581233 723532939 /nfs/dbraw/zinc/53/29/39/723532939.db2.gz ROUPQQHXKLSUGI-UHFFFAOYSA-N -1 1 366.236 3.240 20 30 FGEDMM N#Cc1ccc(CCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765755158 723538340 /nfs/dbraw/zinc/53/83/40/723538340.db2.gz HBSSLKNASBZGHJ-UHFFFAOYSA-N -1 1 359.223 3.275 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000768274394 723652498 /nfs/dbraw/zinc/65/24/98/723652498.db2.gz SAWNWFCSMVOBTO-UHFFFAOYSA-N -1 1 366.370 3.408 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC2CCCOCC2)cc1 ZINC000770607499 723717245 /nfs/dbraw/zinc/71/72/45/723717245.db2.gz WUJQUEYFMLYTIM-UHFFFAOYSA-N -1 1 359.451 3.456 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@@H](C)C#N)c2)cc1 ZINC000770933810 723723832 /nfs/dbraw/zinc/72/38/32/723723832.db2.gz TYXBPFIJPSXGFZ-AWEZNQCLSA-N -1 1 358.419 3.112 20 30 FGEDMM CC(Cc1ccc(Cl)cc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000773203568 723778993 /nfs/dbraw/zinc/77/89/93/723778993.db2.gz RDHNKVZCRZWNEV-UHFFFAOYSA-N -1 1 367.814 3.145 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773565546 723800962 /nfs/dbraw/zinc/80/09/62/723800962.db2.gz JURWSOVQPPTSMT-GFCCVEGCSA-N -1 1 363.410 3.353 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000776350105 724134930 /nfs/dbraw/zinc/13/49/30/724134930.db2.gz IQKSCBKWPLPMHS-CQSZACIVSA-N -1 1 351.189 3.034 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000785613905 724925448 /nfs/dbraw/zinc/92/54/48/724925448.db2.gz VQWZKBFCAHFXFH-ABKXIKBNSA-N -1 1 365.216 3.423 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000807975037 725177664 /nfs/dbraw/zinc/17/76/64/725177664.db2.gz DLTPDXAJJIXONB-UHFFFAOYSA-N -1 1 371.777 3.090 20 30 FGEDMM C#CCO[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000812783154 726811365 /nfs/dbraw/zinc/81/13/65/726811365.db2.gz AZFILLUYWHGAPZ-UHFFFAOYSA-N -1 1 352.221 3.019 20 30 FGEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1cccc([O-])c1Br ZINC000841608016 730259943 /nfs/dbraw/zinc/25/99/43/730259943.db2.gz QYKGHMCSGHTQRC-UHFFFAOYSA-N -1 1 355.261 3.215 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000849473724 731264028 /nfs/dbraw/zinc/26/40/28/731264028.db2.gz PIBKQYIPUDJPIX-UHFFFAOYSA-N -1 1 357.819 3.001 20 30 FGEDMM N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852060375 731539992 /nfs/dbraw/zinc/53/99/92/731539992.db2.gz DNMPZRUUDIYSSA-FZMZJTMJSA-N -1 1 359.779 3.295 20 30 FGEDMM O=C([N-]C[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC000874123890 735842633 /nfs/dbraw/zinc/84/26/33/735842633.db2.gz MDMJIZKGLGSSND-SECBINFHSA-N -1 1 372.284 3.057 20 30 FGEDMM COc1cccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1O ZINC000916368957 758074617 /nfs/dbraw/zinc/07/46/17/758074617.db2.gz XTAZVRUTLTYHGL-UHFFFAOYSA-N -1 1 372.475 3.456 20 30 FGEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Br)ccc1O ZINC000916581101 758099706 /nfs/dbraw/zinc/09/97/06/758099706.db2.gz HRUZVBGQXVEQTH-UHFFFAOYSA-N -1 1 351.204 3.185 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1[O-] ZINC000928250801 760125729 /nfs/dbraw/zinc/12/57/29/760125729.db2.gz BODRLYZYZYDDAD-AWEZNQCLSA-N -1 1 353.447 3.229 20 30 FGEDMM N#Cc1ccc(N[C@H]2CCCN(C(=O)c3c([O-])cccc3Cl)C2)nc1 ZINC000928718938 760246514 /nfs/dbraw/zinc/24/65/14/760246514.db2.gz JMCFOTGXUVVULO-ZDUSSCGKSA-N -1 1 356.813 3.029 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000076936426 493991582 /nfs/dbraw/zinc/99/15/82/493991582.db2.gz XMVQKHGKQNTNBP-UHFFFAOYSA-N -1 1 356.432 3.186 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1Cl ZINC000063182116 494031186 /nfs/dbraw/zinc/03/11/86/494031186.db2.gz VJSYCUFKCNIEGG-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000054683554 494262215 /nfs/dbraw/zinc/26/22/15/494262215.db2.gz KQLPZAZTNGQMIG-UHFFFAOYSA-N -1 1 363.508 3.009 20 30 FGEDMM CCn1c([C@@H]2CCCN(C(=O)C=Cc3cccc(C#N)c3)C2)n[n-]c1=S ZINC000078622328 494333170 /nfs/dbraw/zinc/33/31/70/494333170.db2.gz PMDNWBTYDMNMOJ-ROJDOSBLSA-N -1 1 367.478 3.252 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)CCCCCC4)nn21 ZINC000079123931 494407422 /nfs/dbraw/zinc/40/74/22/494407422.db2.gz QLUMUFQPVMGFKZ-UHFFFAOYSA-N -1 1 366.450 3.277 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(OCC(F)F)n1 ZINC000089964387 494416424 /nfs/dbraw/zinc/41/64/24/494416424.db2.gz RIIXIQUZPGOOAN-NSHDSACASA-N -1 1 356.332 3.102 20 30 FGEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000018707277 494432832 /nfs/dbraw/zinc/43/28/32/494432832.db2.gz MANRSBDIYRSULG-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(NC(C)=O)c2)n1 ZINC000067893879 494685866 /nfs/dbraw/zinc/68/58/66/494685866.db2.gz HVVJGHOBLWSBGD-CYBMUJFWSA-N -1 1 371.418 3.077 20 30 FGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000047534042 494727921 /nfs/dbraw/zinc/72/79/21/494727921.db2.gz KADHGJCIAVWEDL-OAHLLOKOSA-N -1 1 371.462 3.109 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000026255324 494812465 /nfs/dbraw/zinc/81/24/65/494812465.db2.gz PBWIRNGOAHSCKF-NSHDSACASA-N -1 1 356.304 3.018 20 30 FGEDMM N#CCCN(Cc1ccccn1)C(=O)c1ccc(Br)cc1[O-] ZINC000094107502 494951272 /nfs/dbraw/zinc/95/12/72/494951272.db2.gz FLRCKSGECAIPJD-UHFFFAOYSA-N -1 1 360.211 3.106 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1F ZINC000124023555 495223187 /nfs/dbraw/zinc/22/31/87/495223187.db2.gz BDMOTJVUBJZITL-QMMMGPOBSA-N -1 1 358.316 3.154 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c2cccnc12 ZINC000129608252 495269608 /nfs/dbraw/zinc/26/96/08/495269608.db2.gz XESKTAWDFLGLFT-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM CCCCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC ZINC000138341669 495459508 /nfs/dbraw/zinc/45/95/08/495459508.db2.gz ARBANNWXXZTDKV-ZLQZBKBYSA-N -1 1 358.390 3.102 20 30 FGEDMM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000154185674 495537796 /nfs/dbraw/zinc/53/77/96/495537796.db2.gz VFNFQHTTYQYLAQ-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000154221344 495548700 /nfs/dbraw/zinc/54/87/00/495548700.db2.gz QALBSEZLDAOIMN-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1OC1CCOCC1 ZINC000154562216 495655114 /nfs/dbraw/zinc/65/51/14/495655114.db2.gz SEWOKTHWKQAZPM-UHFFFAOYSA-N -1 1 372.446 3.225 20 30 FGEDMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000171345808 495830321 /nfs/dbraw/zinc/83/03/21/495830321.db2.gz XKGCDQQDUDCNGO-UHFFFAOYSA-N -1 1 355.463 3.475 20 30 FGEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c(F)c1 ZINC000155983767 496125993 /nfs/dbraw/zinc/12/59/93/496125993.db2.gz BFCMNNYZBDOKAS-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c3cccc(c23)C1=O ZINC000156251609 496198209 /nfs/dbraw/zinc/19/82/09/496198209.db2.gz UTYFXBIYMMHTAF-UHFFFAOYSA-N -1 1 363.398 3.102 20 30 FGEDMM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187384413 496419580 /nfs/dbraw/zinc/41/95/80/496419580.db2.gz XOAADBBSVHTHQX-LURJTMIESA-N -1 1 372.071 3.194 20 30 FGEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)on1 ZINC000157581543 496508161 /nfs/dbraw/zinc/50/81/61/496508161.db2.gz OIZQDVHOMBRAPG-UHFFFAOYSA-N -1 1 373.356 3.167 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000178804455 496578391 /nfs/dbraw/zinc/57/83/91/496578391.db2.gz POBGACVACYFCOD-UHFFFAOYSA-N -1 1 355.419 3.326 20 30 FGEDMM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000154148327 496696473 /nfs/dbraw/zinc/69/64/73/496696473.db2.gz DTBITRVUVRWAET-UHFFFAOYSA-N -1 1 364.854 3.399 20 30 FGEDMM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000249121984 497171074 /nfs/dbraw/zinc/17/10/74/497171074.db2.gz UFPMSDCHRFUBBT-FUHWJXTLSA-N -1 1 355.825 3.092 20 30 FGEDMM CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000189951565 497304044 /nfs/dbraw/zinc/30/40/44/497304044.db2.gz OQWQCLCWIUSWIK-QGZVFWFLSA-N -1 1 352.390 3.077 20 30 FGEDMM CCOc1c(Cl)cc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000190774844 497599985 /nfs/dbraw/zinc/59/99/85/497599985.db2.gz BCAKRYUMKIBEAB-UHFFFAOYSA-N -1 1 360.797 3.255 20 30 FGEDMM N#Cc1cc(Cl)ccc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289439711 498146721 /nfs/dbraw/zinc/14/67/21/498146721.db2.gz JZZDOXVCFINSCY-LLVKDONJSA-N -1 1 359.779 3.102 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(=O)OC(C)C ZINC000581510350 506004465 /nfs/dbraw/zinc/00/44/65/506004465.db2.gz PIQQEKSCXDMAAE-UHFFFAOYSA-N -1 1 372.446 3.427 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1[O-] ZINC000332292612 498637564 /nfs/dbraw/zinc/63/75/64/498637564.db2.gz JPNKAGDXPKRRBY-GFCCVEGCSA-N -1 1 364.327 3.026 20 30 FGEDMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@@H]1CC12CCCC2 ZINC000329129922 499051554 /nfs/dbraw/zinc/05/15/54/499051554.db2.gz WNHAGWCJZWKOFL-ZDUSSCGKSA-N -1 1 350.440 3.001 20 30 FGEDMM CCc1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(C#N)c1CC ZINC000371173425 499295621 /nfs/dbraw/zinc/29/56/21/499295621.db2.gz OIFHNGJJHNSOOG-UHFFFAOYSA-N -1 1 364.449 3.278 20 30 FGEDMM C[C@@H](C#N)S(=O)(=O)[N-]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000416431104 500042574 /nfs/dbraw/zinc/04/25/74/500042574.db2.gz AACMDNIHZUFYJA-ZDUSSCGKSA-N -1 1 366.487 3.108 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425299911 500068254 /nfs/dbraw/zinc/06/82/54/500068254.db2.gz KOLMRZNOLHDZRQ-LBPRGKRZSA-N -1 1 368.418 3.190 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000416934668 500160601 /nfs/dbraw/zinc/16/06/01/500160601.db2.gz DTYABNXKCXVWBL-IBGZPJMESA-N -1 1 358.463 3.490 20 30 FGEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)cc1OC ZINC000426636500 500298648 /nfs/dbraw/zinc/29/86/48/500298648.db2.gz GSVYVOVXFGMFOB-UHFFFAOYSA-N -1 1 356.422 3.205 20 30 FGEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc21 ZINC000427204237 500367039 /nfs/dbraw/zinc/36/70/39/500367039.db2.gz KGEIWCNBMDACAL-UHFFFAOYSA-N -1 1 358.398 3.429 20 30 FGEDMM CCc1n[nH]c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1-c1cccs1 ZINC000427742576 500426455 /nfs/dbraw/zinc/42/64/55/500426455.db2.gz GWASQKZKVXOILR-UHFFFAOYSA-N -1 1 373.463 3.077 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000582391794 506201004 /nfs/dbraw/zinc/20/10/04/506201004.db2.gz WVWJXCLDYONMLD-GFCCVEGCSA-N -1 1 370.430 3.480 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000447789586 500662309 /nfs/dbraw/zinc/66/23/09/500662309.db2.gz ZTKRLMAETJWPEM-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2nncs2)cc1 ZINC000439252331 500875302 /nfs/dbraw/zinc/87/53/02/500875302.db2.gz YLYQOAYVAVIHLP-UHFFFAOYSA-N -1 1 356.432 3.186 20 30 FGEDMM CCCc1c(NC(=O)c2ccc(O)cc2[O-])cnn1-c1cccc(C#N)c1 ZINC000440091991 500974017 /nfs/dbraw/zinc/97/40/17/500974017.db2.gz ZKDLYEDLVJWCIL-UHFFFAOYSA-N -1 1 362.389 3.360 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1OCC ZINC000451105102 501246139 /nfs/dbraw/zinc/24/61/39/501246139.db2.gz BYEYZMLVZRBMOP-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM CC(C)(CC#N)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000457994687 501352302 /nfs/dbraw/zinc/35/23/02/501352302.db2.gz YIQMIFSDCOPLTR-UHFFFAOYSA-N -1 1 371.462 3.157 20 30 FGEDMM C=CCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCC1 ZINC000456488963 501535693 /nfs/dbraw/zinc/53/56/93/501535693.db2.gz SUPJBBYLHVAZFK-UHFFFAOYSA-N -1 1 368.499 3.223 20 30 FGEDMM CCOc1cc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc(Br)c1[O-] ZINC000453028847 501604441 /nfs/dbraw/zinc/60/44/41/501604441.db2.gz VAEDLLDZJYZUQA-AYVTZFPOSA-N -1 1 364.199 3.405 20 30 FGEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475786618 502292392 /nfs/dbraw/zinc/29/23/92/502292392.db2.gz LZFYIJJETUXZGG-UHFFFAOYSA-N -1 1 357.435 3.292 20 30 FGEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475794217 502293786 /nfs/dbraw/zinc/29/37/86/502293786.db2.gz YVRSRGUGPKUJFV-UHFFFAOYSA-N -1 1 357.435 3.210 20 30 FGEDMM C=CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000509607904 502946296 /nfs/dbraw/zinc/94/62/96/502946296.db2.gz ZNXASWCTJCVCEW-UHFFFAOYSA-N -1 1 357.353 3.147 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1F ZINC000489692269 503012462 /nfs/dbraw/zinc/01/24/62/503012462.db2.gz SMQMERYBBPVBEK-CYBMUJFWSA-N -1 1 350.337 3.097 20 30 FGEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)CC1(C#N)CC1 ZINC000501532077 503031034 /nfs/dbraw/zinc/03/10/34/503031034.db2.gz MEFJPAUWMYZJFM-UHFFFAOYSA-N -1 1 355.463 3.223 20 30 FGEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000506793371 503172994 /nfs/dbraw/zinc/17/29/94/503172994.db2.gz GIXACXMWOHULAQ-UHFFFAOYSA-N -1 1 358.463 3.477 20 30 FGEDMM Cc1ncoc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000499285043 503372525 /nfs/dbraw/zinc/37/25/25/503372525.db2.gz CDUXBZJNTXYQMF-SNVBAGLBSA-N -1 1 354.391 3.062 20 30 FGEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000508083298 503426844 /nfs/dbraw/zinc/42/68/44/503426844.db2.gz JHUPTMSEOJZNJI-LBPRGKRZSA-N -1 1 371.286 3.446 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000541802941 504259953 /nfs/dbraw/zinc/25/99/53/504259953.db2.gz ULKZIXIASCOTDA-UHFFFAOYSA-N -1 1 370.308 3.076 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000559247670 504807418 /nfs/dbraw/zinc/80/74/18/504807418.db2.gz DQNAVAFCNITFRE-UHFFFAOYSA-N -1 1 350.362 3.309 20 30 FGEDMM N#C[C@H](C(=O)c1ccsn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000560361051 505059016 /nfs/dbraw/zinc/05/90/16/505059016.db2.gz VINGWQXTAHHEND-SECBINFHSA-N -1 1 356.432 3.222 20 30 FGEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3coc(C4CCCC4)n3)n2)cc1 ZINC000558683095 505462801 /nfs/dbraw/zinc/46/28/01/505462801.db2.gz ZKUWGFHSCDNXIJ-UHFFFAOYSA-N -1 1 362.393 3.096 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000593188572 506452429 /nfs/dbraw/zinc/45/24/29/506452429.db2.gz LWQOAQUAMQDDRG-UHFFFAOYSA-N -1 1 360.435 3.306 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2cc(Br)ccc2F)c1 ZINC000589171894 506469958 /nfs/dbraw/zinc/46/99/58/506469958.db2.gz YGGUWYWXZLQQTA-UHFFFAOYSA-N -1 1 363.186 3.138 20 30 FGEDMM COc1ccccc1SC[C@H](C)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589177677 506471782 /nfs/dbraw/zinc/47/17/82/506471782.db2.gz JLHMCHAUFDWSLA-CYBMUJFWSA-N -1 1 356.447 3.431 20 30 FGEDMM C[C@H]1CN(Cc2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)C[C@H](C)O1 ZINC000589183365 506473028 /nfs/dbraw/zinc/47/30/28/506473028.db2.gz CZBXFGCGLJJQNV-GJZGRUSLSA-N -1 1 365.433 3.125 20 30 FGEDMM CC(C)Oc1cc(CN(C(=O)c2cc([O-])cc(C#N)c2)C2CC2)ccn1 ZINC000589196009 506479292 /nfs/dbraw/zinc/47/92/92/506479292.db2.gz WMOWBTDKXGJFHX-UHFFFAOYSA-N -1 1 351.406 3.251 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589195960 506479737 /nfs/dbraw/zinc/47/97/37/506479737.db2.gz QEFUTLDRQQNVNG-QZTJIDSGSA-N -1 1 355.825 3.092 20 30 FGEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC ZINC000603971387 506676836 /nfs/dbraw/zinc/67/68/36/506676836.db2.gz JNCLDWHMRJJZPN-UHFFFAOYSA-N -1 1 366.826 3.338 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000610083947 507094514 /nfs/dbraw/zinc/09/45/14/507094514.db2.gz VSVNQUVEYUCGPQ-UHFFFAOYSA-N -1 1 358.316 3.195 20 30 FGEDMM C=CC[C@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000597999643 507212445 /nfs/dbraw/zinc/21/24/45/507212445.db2.gz VKECVWKOFLJRCG-NSHDSACASA-N -1 1 371.218 3.425 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000614299400 507445668 /nfs/dbraw/zinc/44/56/68/507445668.db2.gz WQYKGBLYMFFJLI-UHFFFAOYSA-N -1 1 352.234 3.221 20 30 FGEDMM Cc1cc(C)n(-c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2F)n1 ZINC000614297167 507446782 /nfs/dbraw/zinc/44/67/82/507446782.db2.gz RUVZPSYFNBFOGU-UHFFFAOYSA-N -1 1 350.353 3.458 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000610954731 507454124 /nfs/dbraw/zinc/45/41/24/507454124.db2.gz DRCVNQSQWQEZLA-UHFFFAOYSA-N -1 1 362.361 3.412 20 30 FGEDMM Cc1ccccc1CC(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820300354 599337552 /nfs/dbraw/zinc/33/75/52/599337552.db2.gz QFXAHGXUENVHNN-UHFFFAOYSA-N -1 1 353.430 3.491 20 30 FGEDMM CC(C)CO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000735839464 599533853 /nfs/dbraw/zinc/53/38/53/599533853.db2.gz VNZVMBIFEGLIJR-LBPRGKRZSA-N -1 1 361.450 3.217 20 30 FGEDMM C=C(C)COc1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000736094484 600098716 /nfs/dbraw/zinc/09/87/16/600098716.db2.gz HLIJSBDECWUOGO-UHFFFAOYSA-N -1 1 353.421 3.202 20 30 FGEDMM Cc1oc(C=NNc2nc(-c3ccccn3)nc3c2CCC3)cc1C(=O)[O-] ZINC000738970319 600981516 /nfs/dbraw/zinc/98/15/16/600981516.db2.gz VCFUMTHKQUJREF-UHFFFAOYSA-N -1 1 363.377 3.073 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824033772 607550410 /nfs/dbraw/zinc/55/04/10/607550410.db2.gz AONDEXWHDHOPEK-LBPRGKRZSA-N -1 1 351.439 3.126 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824033772 607550411 /nfs/dbraw/zinc/55/04/11/607550411.db2.gz AONDEXWHDHOPEK-LBPRGKRZSA-N -1 1 351.439 3.126 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC=CCc2ccc(F)cc2)o1 ZINC000824142423 607652658 /nfs/dbraw/zinc/65/26/58/607652658.db2.gz SFXAPENTERVIJU-QCWRGINGSA-N -1 1 355.377 3.402 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCOc3ccccc32)o1 ZINC000820108345 606460794 /nfs/dbraw/zinc/46/07/94/606460794.db2.gz ITCRLRXFKPYFIJ-GFCCVEGCSA-N -1 1 367.413 3.017 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CCC3)s2)o1 ZINC000819965426 607148080 /nfs/dbraw/zinc/14/80/80/607148080.db2.gz GJEFDOMPOXYNQL-UHFFFAOYSA-N -1 1 372.458 3.322 20 30 FGEDMM CC(C)CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccccn1 ZINC000820050419 607148133 /nfs/dbraw/zinc/14/81/33/607148133.db2.gz AAAXSWQWDGQZOD-UHFFFAOYSA-N -1 1 368.445 3.410 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403700 608093311 /nfs/dbraw/zinc/09/33/11/608093311.db2.gz ZQVXIIBFVUAHJO-UPHRSURJSA-N -1 1 366.431 3.343 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403700 608093312 /nfs/dbraw/zinc/09/33/12/608093312.db2.gz ZQVXIIBFVUAHJO-UPHRSURJSA-N -1 1 366.431 3.343 20 30 FGEDMM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nnn[n-]2)s1 ZINC000826400309 608093946 /nfs/dbraw/zinc/09/39/46/608093946.db2.gz VGQFUGVZODJHDJ-PLNGDYQASA-N -1 1 356.798 3.125 20 30 FGEDMM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nn[n-]n2)s1 ZINC000826400309 608093947 /nfs/dbraw/zinc/09/39/47/608093947.db2.gz VGQFUGVZODJHDJ-PLNGDYQASA-N -1 1 356.798 3.125 20 30 FGEDMM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCN2CCc3ccccc3C2)c1[O-] ZINC000026431735 695683904 /nfs/dbraw/zinc/68/39/04/695683904.db2.gz YPQNESYNOQXMBD-RGVLZGJSSA-N -1 1 359.813 3.431 20 30 FGEDMM C#Cc1cccc(N(C)C(=O)c2ccccc2[N-]S(=O)(=O)CCC)c1 ZINC000103102080 700481343 /nfs/dbraw/zinc/48/13/43/700481343.db2.gz DXELGTOYTWLRCP-UHFFFAOYSA-N -1 1 356.447 3.096 20 30 FGEDMM C[C@@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000120293814 700652308 /nfs/dbraw/zinc/65/23/08/700652308.db2.gz BHTDKBCCAACIAC-LBPRGKRZSA-N -1 1 362.382 3.085 20 30 FGEDMM N#CCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000124537214 700721321 /nfs/dbraw/zinc/72/13/21/700721321.db2.gz QNKJSQXVWJEBMT-CQSZACIVSA-N -1 1 363.370 3.057 20 30 FGEDMM COCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)o1 ZINC000130348727 700800419 /nfs/dbraw/zinc/80/04/19/700800419.db2.gz RHXBTBMYJXTSGD-GFCCVEGCSA-N -1 1 362.769 3.049 20 30 FGEDMM C#CCCCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000191293717 712833714 /nfs/dbraw/zinc/83/37/14/712833714.db2.gz UKRCGIBGCLZTRZ-UHFFFAOYSA-N -1 1 352.415 3.498 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2Cl)c(=O)o1 ZINC000255210723 713687827 /nfs/dbraw/zinc/68/78/27/713687827.db2.gz CXNJJQDXQNSGQK-FWWGQDLDSA-N -1 1 369.598 3.331 20 30 FGEDMM COc1cc(C#N)ccc1OCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000524821286 714303830 /nfs/dbraw/zinc/30/38/30/714303830.db2.gz KBOYEWXYHBVHGX-UHFFFAOYSA-N -1 1 371.340 3.252 20 30 FGEDMM CC(C)CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000802709985 724401034 /nfs/dbraw/zinc/40/10/34/724401034.db2.gz MBJAGOQZQRKBLD-UHFFFAOYSA-N -1 1 353.444 3.216 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=Nn2cnc3ccccc3c2=O)c1 ZINC000781585130 724576445 /nfs/dbraw/zinc/57/64/45/724576445.db2.gz HSNKVQCUNYOLTL-UHFFFAOYSA-N -1 1 358.195 3.055 20 30 FGEDMM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1cc(Br)cc(F)c1[O-] ZINC000783826915 724793845 /nfs/dbraw/zinc/79/38/45/724793845.db2.gz IDUQGCGFTQFTGQ-UHFFFAOYSA-N -1 1 369.150 3.433 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CC(c3ccc(Cl)cc3)C2)c2ccccc21 ZINC000783825373 724793880 /nfs/dbraw/zinc/79/38/80/724793880.db2.gz ZHMQSBCBJCWOKE-UHFFFAOYSA-N -1 1 359.838 3.312 20 30 FGEDMM O=S(=O)([N-]CCSC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000728581028 722452788 /nfs/dbraw/zinc/45/27/88/722452788.db2.gz DUJFAEUHJBWZJY-UHFFFAOYSA-N -1 1 371.299 3.376 20 30 FGEDMM O=c1nc(NN=Cc2ccc(-c3ccc(Cl)cc3)s2)nc2[nH][n-]cc1-2 ZINC000731154315 722473636 /nfs/dbraw/zinc/47/36/36/722473636.db2.gz FZNVZEMKKCVPST-UHFFFAOYSA-N -1 1 370.825 3.260 20 30 FGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731545533 722476307 /nfs/dbraw/zinc/47/63/07/722476307.db2.gz BGVNCYBWWRLYRF-AWEZNQCLSA-N -1 1 361.716 3.348 20 30 FGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cnn(-c2cccc(Cl)c2)c1C ZINC000731559502 722476438 /nfs/dbraw/zinc/47/64/38/722476438.db2.gz GGQXEELUBKQACP-UHFFFAOYSA-N -1 1 356.817 3.474 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Br)nc1 ZINC000731919904 722479356 /nfs/dbraw/zinc/47/93/56/722479356.db2.gz IMCPXNQMPWHNCG-BQYQJAHWSA-N -1 1 364.224 3.128 20 30 FGEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCOC1 ZINC000741762251 722548857 /nfs/dbraw/zinc/54/88/57/722548857.db2.gz URSQFCCNHYDAOD-OAHLLOKOSA-N -1 1 359.451 3.312 20 30 FGEDMM CCC(Cc1ccccc1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746492026 722604835 /nfs/dbraw/zinc/60/48/35/722604835.db2.gz MWZYIOZLADYSJI-UHFFFAOYSA-N -1 1 361.423 3.023 20 30 FGEDMM CC(N=Nc1ncccc1[N+](=O)[O-])c1cc(Br)c(F)cc1[O-] ZINC000746579677 722609132 /nfs/dbraw/zinc/60/91/32/722609132.db2.gz WEFYMQTYCUMGDI-UHFFFAOYSA-N -1 1 369.150 3.433 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C)c(F)c(C)c1 ZINC000748248014 722681540 /nfs/dbraw/zinc/68/15/40/722681540.db2.gz BUFVGQAOSUZRBT-UHFFFAOYSA-N -1 1 365.386 3.053 20 30 FGEDMM CC(C)CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000748254628 722681866 /nfs/dbraw/zinc/68/18/66/722681866.db2.gz DEESENSRSNSQGO-UHFFFAOYSA-N -1 1 361.423 3.324 20 30 FGEDMM COc1ccc(C(=O)[N-]C(=O)CSc2ccc(Cl)cc2C#N)cc1 ZINC000753832812 722915272 /nfs/dbraw/zinc/91/52/72/722915272.db2.gz NEWIPPZRBMKROQ-UHFFFAOYSA-N -1 1 360.822 3.269 20 30 FGEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c([O-])c(O)ccc1F ZINC000789946929 723087318 /nfs/dbraw/zinc/08/73/18/723087318.db2.gz SHLWHMXBHPTEJL-UHFFFAOYSA-N -1 1 353.271 3.037 20 30 FGEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1cccc(Br)c1 ZINC000791391376 723238523 /nfs/dbraw/zinc/23/85/23/723238523.db2.gz JTTPDWDYNWFHPG-LBPRGKRZSA-N -1 1 373.197 3.070 20 30 FGEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(F)c1C#N ZINC000762616817 723262731 /nfs/dbraw/zinc/26/27/31/723262731.db2.gz ITFAKKFFPWOMTE-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM CC1(C)CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC000794852795 723549152 /nfs/dbraw/zinc/54/91/52/723549152.db2.gz KXFYJUXYRIENDH-UHFFFAOYSA-N -1 1 353.447 3.201 20 30 FGEDMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000796096194 723620705 /nfs/dbraw/zinc/62/07/05/723620705.db2.gz AQDQQZXMNWPJLD-ZDUSSCGKSA-N -1 1 369.273 3.301 20 30 FGEDMM Cn1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c(-c2cccs2)n1 ZINC000769610523 723690632 /nfs/dbraw/zinc/69/06/32/723690632.db2.gz SBMLZKQVGJHURH-FNORWQNLSA-N -1 1 354.387 3.449 20 30 FGEDMM CC(C)(C)n1ncc2c1nc(NN=Cc1ccc([O-])c(Cl)c1)[nH]c2=O ZINC000769812411 723696671 /nfs/dbraw/zinc/69/66/71/723696671.db2.gz OHYIWKUYBIDXMJ-UHFFFAOYSA-N -1 1 360.805 3.092 20 30 FGEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000769816206 723696720 /nfs/dbraw/zinc/69/67/20/723696720.db2.gz CZAQPMLDWOYMTM-NEPJUHHUSA-N -1 1 356.817 3.314 20 30 FGEDMM CCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cc(F)ccc1F ZINC000799768211 724093727 /nfs/dbraw/zinc/09/37/27/724093727.db2.gz ICWXFXQKPJKURE-OAHLLOKOSA-N -1 1 363.426 3.069 20 30 FGEDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000788494521 725067872 /nfs/dbraw/zinc/06/78/72/725067872.db2.gz SXDBCCQZQGVKTL-UHFFFAOYSA-N -1 1 367.224 3.136 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000815686268 727091094 /nfs/dbraw/zinc/09/10/94/727091094.db2.gz AQOLRFQVJXCSEH-UHFFFAOYSA-N -1 1 358.694 3.460 20 30 FGEDMM CCOc1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc(Cl)c1[O-] ZINC000829524037 729487496 /nfs/dbraw/zinc/48/74/96/729487496.db2.gz XUCKOTQEELCVAP-OAHLLOKOSA-N -1 1 356.809 3.213 20 30 FGEDMM CCCCCCCC[C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000831580911 729653053 /nfs/dbraw/zinc/65/30/53/729653053.db2.gz HOFGJMKVUMPVCK-CYBMUJFWSA-N -1 1 356.488 3.365 20 30 FGEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845832574 730900907 /nfs/dbraw/zinc/90/09/07/730900907.db2.gz FCNCTSSBEKHZIT-DGCLKSJQSA-N -1 1 361.463 3.496 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000853290150 731691718 /nfs/dbraw/zinc/69/17/18/731691718.db2.gz WMTOWAUDOIKEFM-GHMZBOCLSA-N -1 1 359.373 3.080 20 30 FGEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1ccc(Cl)cc1 ZINC000856315466 732008788 /nfs/dbraw/zinc/00/87/88/732008788.db2.gz NPHPUAOSCFMNGM-QZTJIDSGSA-N -1 1 358.825 3.405 20 30 FGEDMM O=C([N-]C[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)c1cc(F)cc(F)c1 ZINC000874123895 735842461 /nfs/dbraw/zinc/84/24/61/735842461.db2.gz MDMJIZKGLGSSND-VIFPVBQESA-N -1 1 372.284 3.057 20 30 FGEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000882712924 737481632 /nfs/dbraw/zinc/48/16/32/737481632.db2.gz SNWWUBKEQMYPGL-HNJNHCNJSA-N -1 1 360.410 3.414 20 30 FGEDMM CC#CC[C@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)[O-] ZINC000904057796 743921544 /nfs/dbraw/zinc/92/15/44/743921544.db2.gz CGFOKLQRYYULOJ-KRWDZBQOSA-N -1 1 359.857 3.158 20 30 FGEDMM CC#CC[C@@H](NCc1c(C)nn(-c2cccc(Cl)c2)c1Cl)C(=O)[O-] ZINC000904059609 743921872 /nfs/dbraw/zinc/92/18/72/743921872.db2.gz YAAKEHWXHKDLRV-OAHLLOKOSA-N -1 1 366.248 3.444 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1oc2ccccc2c1C ZINC000914599458 757808836 /nfs/dbraw/zinc/80/88/36/757808836.db2.gz CVDNLDGXJNXUTH-UHFFFAOYSA-N -1 1 353.403 3.204 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000917548840 758237444 /nfs/dbraw/zinc/23/74/44/758237444.db2.gz ZVECLONQBJNJHK-UHFFFAOYSA-N -1 1 354.218 3.066 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2cc(-c3ccccc3)cs2)c2ccccc21 ZINC000917548576 758237633 /nfs/dbraw/zinc/23/76/33/758237633.db2.gz SCZNTTHRHDUSHO-UHFFFAOYSA-N -1 1 367.455 3.488 20 30 FGEDMM CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2C#N)c(C(=O)[O-])c1 ZINC000919961360 758494680 /nfs/dbraw/zinc/49/46/80/758494680.db2.gz CDQLTBRCZNFJAY-UHFFFAOYSA-N -1 1 358.419 3.355 20 30 FGEDMM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(Cl)c2)C1=O ZINC000921259018 758677025 /nfs/dbraw/zinc/67/70/25/758677025.db2.gz UJZIGTVWSMBRJP-SFHVURJKSA-N -1 1 357.797 3.237 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1Br ZINC000005126955 203810802 /nfs/dbraw/zinc/81/08/02/203810802.db2.gz TYYZLCNGYQSLTQ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1OC(F)F ZINC000051266073 205180984 /nfs/dbraw/zinc/18/09/84/205180984.db2.gz SWMLDQBFSVMEGS-UHFFFAOYSA-N -1 1 352.219 3.070 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000029967102 493870668 /nfs/dbraw/zinc/87/06/68/493870668.db2.gz PWFRGAHANKNTMU-UHFFFAOYSA-N -1 1 351.225 3.316 20 30 FGEDMM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041553542 494167178 /nfs/dbraw/zinc/16/71/78/494167178.db2.gz RLDIECLVMQSKLB-PWECECGKSA-N -1 1 366.364 3.469 20 30 FGEDMM Cn1c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2nc1C1CC1 ZINC000089642314 494336949 /nfs/dbraw/zinc/33/69/49/494336949.db2.gz IFYBSBKKLXEPJK-UHFFFAOYSA-N -1 1 352.419 3.123 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)n[nH]2)cc1C#N ZINC000580272728 505718628 /nfs/dbraw/zinc/71/86/28/505718628.db2.gz SQBWPBYFFXIPQB-UHFFFAOYSA-N -1 1 359.455 3.223 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2C)c1 ZINC000055663331 494384851 /nfs/dbraw/zinc/38/48/51/494384851.db2.gz YDNVTNHEFURCNY-UHFFFAOYSA-N -1 1 374.462 3.110 20 30 FGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000026547942 494831601 /nfs/dbraw/zinc/83/16/01/494831601.db2.gz VQXAYVXEQROCEW-UHFFFAOYSA-N -1 1 357.391 3.135 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)COCCCC)nc2C)n[n-]c1=S ZINC000118336913 494995215 /nfs/dbraw/zinc/99/52/15/494995215.db2.gz MHYWQCRPBYGQJL-UHFFFAOYSA-N -1 1 367.500 3.314 20 30 FGEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OCCCC#N)c3)ccc2O1 ZINC000106007267 495401599 /nfs/dbraw/zinc/40/15/99/495401599.db2.gz YGQMNZPKTHEZJJ-CQSZACIVSA-N -1 1 372.446 3.493 20 30 FGEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C)C(C)=O ZINC000114673470 495406909 /nfs/dbraw/zinc/40/69/09/495406909.db2.gz MUHNEKBPJAATMT-UHFFFAOYSA-N -1 1 371.462 3.036 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000154186657 495537502 /nfs/dbraw/zinc/53/75/02/495537502.db2.gz DTGBMNNCPUJCIJ-AWEZNQCLSA-N -1 1 374.462 3.190 20 30 FGEDMM CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000171248084 495788345 /nfs/dbraw/zinc/78/83/45/495788345.db2.gz QNJCSZDMISCJJE-UHFFFAOYSA-N -1 1 370.416 3.037 20 30 FGEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)OCO2 ZINC000180357654 495964562 /nfs/dbraw/zinc/96/45/62/495964562.db2.gz KFJCCHPESJBRBQ-UHFFFAOYSA-N -1 1 350.783 3.050 20 30 FGEDMM CC[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000183875528 496145170 /nfs/dbraw/zinc/14/51/70/496145170.db2.gz TXKMLPOFVINTGN-MRXNPFEDSA-N -1 1 371.462 3.218 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cc2ccccc2o1 ZINC000156224896 496191760 /nfs/dbraw/zinc/19/17/60/496191760.db2.gz NTNLOTCHMSOUIZ-LLVKDONJSA-N -1 1 371.374 3.252 20 30 FGEDMM CCOC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C#N)n[nH]1 ZINC000180937817 496207172 /nfs/dbraw/zinc/20/71/72/496207172.db2.gz KYKDBYIGSJTFSK-UHFFFAOYSA-N -1 1 360.373 3.377 20 30 FGEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000184947598 496595572 /nfs/dbraw/zinc/59/55/72/496595572.db2.gz UPPYTTNLQKDHSK-ZCFIWIBFSA-N -1 1 372.071 3.336 20 30 FGEDMM COc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153964251 496638109 /nfs/dbraw/zinc/63/81/09/496638109.db2.gz MABBEEPNPCYZCX-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000247778295 496914952 /nfs/dbraw/zinc/91/49/52/496914952.db2.gz YXOBWNQBHWJKSV-UHFFFAOYSA-N -1 1 363.398 3.272 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1[O-] ZINC000189177326 497034410 /nfs/dbraw/zinc/03/44/10/497034410.db2.gz PCDZUOHSSJDNOI-ZDUSSCGKSA-N -1 1 359.788 3.065 20 30 FGEDMM CN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189879950 497279215 /nfs/dbraw/zinc/27/92/15/497279215.db2.gz SKHQGFMYRUAWRW-UHFFFAOYSA-N -1 1 351.225 3.360 20 30 FGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193803706 497487565 /nfs/dbraw/zinc/48/75/65/497487565.db2.gz HJBZCOHNDWGYLK-UHFFFAOYSA-N -1 1 374.356 3.164 20 30 FGEDMM Cc1ccn(C)c1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000190641105 497555728 /nfs/dbraw/zinc/55/57/28/497555728.db2.gz KGRSKBXPOWZWST-LBPRGKRZSA-N -1 1 366.446 3.000 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(N2CCCCC2=O)c1 ZINC000279944534 497597966 /nfs/dbraw/zinc/59/79/66/497597966.db2.gz MNENLWUPWSPHND-UHFFFAOYSA-N -1 1 369.446 3.070 20 30 FGEDMM CC[C@@H]1C[C@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC([O-])=N1 ZINC000329758316 497890770 /nfs/dbraw/zinc/89/07/70/497890770.db2.gz NMNTWBVMJCTVJL-QWHCGFSZSA-N -1 1 354.414 3.408 20 30 FGEDMM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1c(F)ccc([O-])c1F ZINC000330897837 498214129 /nfs/dbraw/zinc/21/41/29/498214129.db2.gz UNLWPWWDASEYPD-RTHLEPHNSA-N -1 1 353.287 3.459 20 30 FGEDMM N#CCOc1ccccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000359901044 498227483 /nfs/dbraw/zinc/22/74/83/498227483.db2.gz QGYFZEMLAKDKQZ-UHFFFAOYSA-N -1 1 364.401 3.030 20 30 FGEDMM CCOc1cc2c(cc1[N-]S(=O)(=O)CCC(C)(C)C#N)O[C@@H](C)C2 ZINC000578991819 506069319 /nfs/dbraw/zinc/06/93/19/506069319.db2.gz LPHUOJXPMOSONE-LBPRGKRZSA-N -1 1 352.456 3.090 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000572867174 506071651 /nfs/dbraw/zinc/07/16/51/506071651.db2.gz GOIIRMCOEDRVLC-GXFFZTMASA-N -1 1 357.218 3.292 20 30 FGEDMM O=C([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H](F)C(F)(F)F ZINC000290932556 498727879 /nfs/dbraw/zinc/72/78/79/498727879.db2.gz SGCFGGUAIYJGFS-RKDXNWHRSA-N -1 1 367.648 3.409 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000570458430 506171852 /nfs/dbraw/zinc/17/18/52/506171852.db2.gz XMFONZMFWAEVRT-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000427109278 500354777 /nfs/dbraw/zinc/35/47/77/500354777.db2.gz USCSDWVXQPWJNL-UHFFFAOYSA-N -1 1 364.810 3.189 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000427208780 500367817 /nfs/dbraw/zinc/36/78/17/500367817.db2.gz IRESNYVXTKIXNI-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)n[nH]1 ZINC000427270283 500375520 /nfs/dbraw/zinc/37/55/20/500375520.db2.gz SFLMXHKWDMXCLN-UHFFFAOYSA-N -1 1 372.381 3.322 20 30 FGEDMM C=CCCCS(=O)(=O)[N-]c1cc(-c2ccn(Cc3ccccc3)n2)[nH]n1 ZINC000427783796 500431815 /nfs/dbraw/zinc/43/18/15/500431815.db2.gz WFAGJGVMBQNABF-UHFFFAOYSA-N -1 1 371.466 3.029 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000432183363 500481350 /nfs/dbraw/zinc/48/13/50/500481350.db2.gz XQAGJCHTUDQHNS-UHFFFAOYSA-N -1 1 370.430 3.284 20 30 FGEDMM C=CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444379241 500842073 /nfs/dbraw/zinc/84/20/73/500842073.db2.gz DQSHUTRADBXOSC-SFHVURJKSA-N -1 1 371.408 3.334 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436785970 501211258 /nfs/dbraw/zinc/21/12/58/501211258.db2.gz WRRSMIJBHPSFPP-UHFFFAOYSA-N -1 1 358.344 3.018 20 30 FGEDMM C=CCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436860169 501223124 /nfs/dbraw/zinc/22/31/24/501223124.db2.gz VRILGFOYLJCGCS-SFHVURJKSA-N -1 1 352.434 3.185 20 30 FGEDMM N#C[C@@]1(NC(=O)c2cc(Br)ccc2[O-])CCc2ccccc2C1 ZINC000436878954 501225987 /nfs/dbraw/zinc/22/59/87/501225987.db2.gz LHJQHGQIDDUVLQ-GOSISDBHSA-N -1 1 371.234 3.336 20 30 FGEDMM COc1cc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)cc(Br)c1[O-] ZINC000453178143 501285881 /nfs/dbraw/zinc/28/58/81/501285881.db2.gz ODDRONOVCHXLAJ-WJWGPLDTSA-N -1 1 350.172 3.014 20 30 FGEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000451908697 501398842 /nfs/dbraw/zinc/39/88/42/501398842.db2.gz WOAQLGLQDMTUBC-NEPJUHHUSA-N -1 1 354.230 3.144 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2c[nH]nc2-c2c(F)cccc2F)nc(C)n1 ZINC000464501670 502008316 /nfs/dbraw/zinc/00/83/16/502008316.db2.gz IKYLUMSKENQTSW-NSHDSACASA-N -1 1 353.332 3.252 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2cnn(C)c2)ccc1C#N ZINC000478694452 502060071 /nfs/dbraw/zinc/06/00/71/502060071.db2.gz MNZCMRFCOQMGFA-UHFFFAOYSA-N -1 1 370.409 3.207 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000468847334 502203926 /nfs/dbraw/zinc/20/39/26/502203926.db2.gz GBIWBZNFXVIWPW-UHFFFAOYSA-N -1 1 359.451 3.416 20 30 FGEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000472147598 502248016 /nfs/dbraw/zinc/24/80/16/502248016.db2.gz NZJNEFQNAUYLHN-GOSISDBHSA-N -1 1 361.449 3.462 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1OC(F)F ZINC000475787878 502292077 /nfs/dbraw/zinc/29/20/77/502292077.db2.gz OTBCJCKJZFAHIK-UHFFFAOYSA-N -1 1 352.362 3.463 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000462103155 502308707 /nfs/dbraw/zinc/30/87/07/502308707.db2.gz QFVMVSCVZYYMFU-UHFFFAOYSA-N -1 1 359.451 3.498 20 30 FGEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)[nH]n2)c1 ZINC000472420092 502346780 /nfs/dbraw/zinc/34/67/80/502346780.db2.gz CIYJENPPIONHRH-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc2cc(F)ccc2s1 ZINC000592974213 506317601 /nfs/dbraw/zinc/31/76/01/506317601.db2.gz PXMVAJOYGAZYDZ-LLVKDONJSA-N -1 1 367.361 3.256 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)c1 ZINC000588833901 506351193 /nfs/dbraw/zinc/35/11/93/506351193.db2.gz WTMNWFBYTIYVTB-AWEZNQCLSA-N -1 1 374.462 3.111 20 30 FGEDMM C=C(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000490037797 503096099 /nfs/dbraw/zinc/09/60/99/503096099.db2.gz YSHBUCDNZDNJEA-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM CC[C@](C)(C#N)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506497400 503126433 /nfs/dbraw/zinc/12/64/33/503126433.db2.gz WUHWANGLBFYCKB-GOSISDBHSA-N -1 1 357.435 3.366 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)cc1[O-] ZINC000527195889 503714644 /nfs/dbraw/zinc/71/46/44/503714644.db2.gz QHXLCPBBMFHTKY-LSDHHAIUSA-N -1 1 357.207 3.312 20 30 FGEDMM C=CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000537933414 504087776 /nfs/dbraw/zinc/08/77/76/504087776.db2.gz WTXVUFQSGLLINE-UHFFFAOYSA-N -1 1 374.437 3.417 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000547865811 504253893 /nfs/dbraw/zinc/25/38/93/504253893.db2.gz FCUSQVBWIXMKDW-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM Cc1cc(C)c(NS(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1 ZINC000548197612 504366830 /nfs/dbraw/zinc/36/68/30/504366830.db2.gz FFUSMJXCHJGIQQ-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncc(C)c(=O)[n-]2)c1 ZINC000565240849 504832903 /nfs/dbraw/zinc/83/29/03/504832903.db2.gz HJCSZSFTXFLAQG-UHFFFAOYSA-N -1 1 356.451 3.146 20 30 FGEDMM N#Cc1c(F)cc(CNC(=O)c2ccc(Br)cc2[O-])cc1F ZINC000550238982 504999824 /nfs/dbraw/zinc/99/98/24/504999824.db2.gz MCOXIQULSXGNQB-UHFFFAOYSA-N -1 1 367.149 3.235 20 30 FGEDMM Cc1cc(C#N)nc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000557586312 505175705 /nfs/dbraw/zinc/17/57/05/505175705.db2.gz BHWHZSPUTUXMFX-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC000561470279 505354482 /nfs/dbraw/zinc/35/44/82/505354482.db2.gz JCQNSOFXXJUVMY-UHFFFAOYSA-N -1 1 352.843 3.352 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1 ZINC000593207150 506465621 /nfs/dbraw/zinc/46/56/21/506465621.db2.gz YYIJJQXPDCUKSM-UHFFFAOYSA-N -1 1 369.446 3.173 20 30 FGEDMM CC1(C)[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1OCc1ccccc1 ZINC000589205330 506482594 /nfs/dbraw/zinc/48/25/94/506482594.db2.gz SVCCASULXWPMLV-OALUTQOASA-N -1 1 350.418 3.378 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)c1 ZINC000589586905 506592278 /nfs/dbraw/zinc/59/22/78/506592278.db2.gz NRIIKRNWZLMSAA-UHFFFAOYSA-N -1 1 358.467 3.399 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c1 ZINC000604117305 506720457 /nfs/dbraw/zinc/72/04/57/506720457.db2.gz LIRPGOFRDIZXRU-UHFFFAOYSA-N -1 1 374.472 3.362 20 30 FGEDMM N#CC1(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000590135961 506746906 /nfs/dbraw/zinc/74/69/06/506746906.db2.gz GQFJNTUDPHOWRF-UHFFFAOYSA-N -1 1 355.419 3.120 20 30 FGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000590508405 506842310 /nfs/dbraw/zinc/84/23/10/506842310.db2.gz JTIDXBJBVNQFSM-LBPRGKRZSA-N -1 1 350.353 3.080 20 30 FGEDMM C=CC[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000600214342 506853151 /nfs/dbraw/zinc/85/31/51/506853151.db2.gz WJPUFDNZIOURNB-SNVBAGLBSA-N -1 1 357.191 3.035 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000600665492 507054519 /nfs/dbraw/zinc/05/45/19/507054519.db2.gz TWURKMWKRPKTGK-CYBMUJFWSA-N -1 1 369.446 3.138 20 30 FGEDMM COc1cc(C(=O)N2CCc3c(CC#N)cccc3C2)cc(Cl)c1[O-] ZINC000600780342 507117808 /nfs/dbraw/zinc/11/78/08/507117808.db2.gz RFANIWFHQMWBFE-UHFFFAOYSA-N -1 1 356.809 3.319 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)c(C(F)(F)F)c1 ZINC000610335959 507199634 /nfs/dbraw/zinc/19/96/34/507199634.db2.gz TXIDLHJLEDMOMB-UHFFFAOYSA-N -1 1 360.288 3.223 20 30 FGEDMM N#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000610485740 507257720 /nfs/dbraw/zinc/25/77/20/507257720.db2.gz CIAULCNFKPIAOM-UHFFFAOYSA-N -1 1 364.142 3.121 20 30 FGEDMM C[C@H](C#N)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000598122616 507269587 /nfs/dbraw/zinc/26/95/87/507269587.db2.gz DCXANBSHOMMLCQ-CQSZACIVSA-N -1 1 369.446 3.004 20 30 FGEDMM C[C@@H](C#N)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000598123715 507270355 /nfs/dbraw/zinc/27/03/55/507270355.db2.gz RCJKMJMYWZELAJ-AWEZNQCLSA-N -1 1 369.446 3.004 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c1 ZINC000614296883 507444991 /nfs/dbraw/zinc/44/49/91/507444991.db2.gz WMBBTQMSNQEMJL-UHFFFAOYSA-N -1 1 359.385 3.168 20 30 FGEDMM CN(Cc1cc(Br)ccc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614298096 507446547 /nfs/dbraw/zinc/44/65/47/507446547.db2.gz CJQDRDBNRHLUQS-UHFFFAOYSA-N -1 1 363.186 3.438 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c1 ZINC000614368209 507481775 /nfs/dbraw/zinc/48/17/75/507481775.db2.gz DLTGSSBRTYRMCF-UHFFFAOYSA-N -1 1 358.357 3.163 20 30 FGEDMM C[C@H]1c2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2CC[C@@H]1C ZINC000598843374 507632808 /nfs/dbraw/zinc/63/28/08/507632808.db2.gz DNLPXSDEPDEHSZ-VHSXEESVSA-N -1 1 358.471 3.299 20 30 FGEDMM N#Cc1ccc(N2CCC(C(=O)Nc3c([O-])cccc3F)CC2)c(F)c1 ZINC000586801852 507676380 /nfs/dbraw/zinc/67/63/80/507676380.db2.gz SSWFURWYFSFRJH-UHFFFAOYSA-N -1 1 357.360 3.397 20 30 FGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000819857619 598224434 /nfs/dbraw/zinc/22/44/34/598224434.db2.gz ZBNQOUZIOCFYSG-IBGZPJMESA-N -1 1 366.352 3.312 20 30 FGEDMM Cc1cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)ccc1O ZINC000735451410 598606501 /nfs/dbraw/zinc/60/65/01/598606501.db2.gz ZIHPOAMFIIIIFJ-UHFFFAOYSA-N -1 1 355.402 3.002 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(SC(C)C)cc2)o1 ZINC000735451363 598641170 /nfs/dbraw/zinc/64/11/70/598641170.db2.gz YSWJMXJYRLHYDT-UHFFFAOYSA-N -1 1 357.443 3.500 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C2CC2)o1 ZINC000735851490 598787266 /nfs/dbraw/zinc/78/72/66/598787266.db2.gz XLNWUZKOHIGNOV-UHFFFAOYSA-N -1 1 365.441 3.474 20 30 FGEDMM C=C(Cl)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735402363 599389472 /nfs/dbraw/zinc/38/94/72/599389472.db2.gz SIGQCMOHEQBHLR-UHFFFAOYSA-N -1 1 373.775 3.280 20 30 FGEDMM C=C(Cl)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735402363 599389475 /nfs/dbraw/zinc/38/94/75/599389475.db2.gz SIGQCMOHEQBHLR-UHFFFAOYSA-N -1 1 373.775 3.280 20 30 FGEDMM N#Cc1ccc([C@@H](NCc2ccccc2OCC(F)(F)F)C(=O)[O-])cc1 ZINC000739104764 600596081 /nfs/dbraw/zinc/59/60/81/600596081.db2.gz DEOLNPWTBXOXRZ-MRXNPFEDSA-N -1 1 364.323 3.415 20 30 FGEDMM C(#Cc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)c1cccs1 ZINC000823861522 607546519 /nfs/dbraw/zinc/54/65/19/607546519.db2.gz LOIVQGHWUQASLA-UHFFFAOYSA-N -1 1 358.430 3.335 20 30 FGEDMM C(#Cc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)c1cccs1 ZINC000823861522 607546521 /nfs/dbraw/zinc/54/65/21/607546521.db2.gz LOIVQGHWUQASLA-UHFFFAOYSA-N -1 1 358.430 3.335 20 30 FGEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000833386445 605155956 /nfs/dbraw/zinc/15/59/56/605155956.db2.gz FLEFARJLVDAZRX-UHFFFAOYSA-N -1 1 359.769 3.205 20 30 FGEDMM C=CCN(Cc1cccc(C#N)c1)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833376004 605202780 /nfs/dbraw/zinc/20/27/80/605202780.db2.gz LCEHSCSZDQYRLJ-UHFFFAOYSA-N -1 1 364.401 3.231 20 30 FGEDMM N#Cc1cc(CN(Cc2ccccc2)[C@@H]2CCCN(C(=O)[O-])C2)ccn1 ZINC000833970843 605784150 /nfs/dbraw/zinc/78/41/50/605784150.db2.gz USOLYNVAKBORIB-LJQANCHMSA-N -1 1 350.422 3.098 20 30 FGEDMM N#Cc1ccc(Oc2ccc(Oc3nccnc3-c3nn[n-]n3)cc2)cc1 ZINC000822833492 606242542 /nfs/dbraw/zinc/24/25/42/606242542.db2.gz QQRJQXLMSRTKCU-UHFFFAOYSA-N -1 1 357.333 3.113 20 30 FGEDMM CC(C)(C#N)c1ccccc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000819892168 607165772 /nfs/dbraw/zinc/16/57/72/607165772.db2.gz XKONNIYNLNSOGS-UHFFFAOYSA-N -1 1 370.416 3.031 20 30 FGEDMM N#Cc1cccc(COc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2)c1 ZINC000826386866 607898278 /nfs/dbraw/zinc/89/82/78/607898278.db2.gz VXFKQKDVSQIDKB-UHFFFAOYSA-N -1 1 369.388 3.456 20 30 FGEDMM N#Cc1cccc(COc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)c1 ZINC000826386866 607898279 /nfs/dbraw/zinc/89/82/79/607898279.db2.gz VXFKQKDVSQIDKB-UHFFFAOYSA-N -1 1 369.388 3.456 20 30 FGEDMM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401156 608092919 /nfs/dbraw/zinc/09/29/19/608092919.db2.gz QZMSBHQTNDMBFX-UTCJRWHESA-N -1 1 362.361 3.468 20 30 FGEDMM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401156 608092920 /nfs/dbraw/zinc/09/29/20/608092920.db2.gz QZMSBHQTNDMBFX-UTCJRWHESA-N -1 1 362.361 3.468 20 30 FGEDMM Cc1ccc(F)c(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1 ZINC000823962894 608109953 /nfs/dbraw/zinc/10/99/53/608109953.db2.gz QRBVKJXLKQBMGB-UHFFFAOYSA-N -1 1 357.393 3.436 20 30 FGEDMM N#Cc1ccc(Oc2cccc(Nc3ccc(-c4nnn[n-]4)nn3)c2)cc1 ZINC000826385809 608414575 /nfs/dbraw/zinc/41/45/75/608414575.db2.gz BSIDKFKRRQJPEU-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccc(Oc2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2)cc1 ZINC000826385809 608414577 /nfs/dbraw/zinc/41/45/77/608414577.db2.gz BSIDKFKRRQJPEU-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000008294895 695582590 /nfs/dbraw/zinc/58/25/90/695582590.db2.gz TWWQRKRAVSVNPM-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)o1 ZINC000109143645 700530875 /nfs/dbraw/zinc/53/08/75/700530875.db2.gz CVIVMARDPGBMMR-PMUGQKEBSA-N -1 1 356.708 3.170 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000114673199 700581113 /nfs/dbraw/zinc/58/11/13/700581113.db2.gz JYPSGTOEPNCENE-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(Br)c2)c1 ZINC000127164905 700758176 /nfs/dbraw/zinc/75/81/76/700758176.db2.gz ZDBOQBWMRYSVCZ-GFCCVEGCSA-N -1 1 363.167 3.012 20 30 FGEDMM Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000174012382 705482496 /nfs/dbraw/zinc/48/24/96/705482496.db2.gz GJIBKSJVONOZKX-CYBMUJFWSA-N -1 1 354.435 3.465 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2Br)c(=O)o1 ZINC000178985425 705684246 /nfs/dbraw/zinc/68/42/46/705684246.db2.gz FIHAZURACYTBOQ-KQIUPUNMSA-N -1 1 369.598 3.331 20 30 FGEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000615469895 714529980 /nfs/dbraw/zinc/52/99/80/714529980.db2.gz BMCKFYVMOKOGOL-CYBMUJFWSA-N -1 1 355.825 3.174 20 30 FGEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619462158 714838723 /nfs/dbraw/zinc/83/87/23/714838723.db2.gz JFWIJJLKOCXEDO-UHFFFAOYSA-N -1 1 357.435 3.129 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)c1 ZINC000619545199 714850629 /nfs/dbraw/zinc/85/06/29/714850629.db2.gz SQXWOFWMUHDXME-GOEBONIOSA-N -1 1 357.207 3.312 20 30 FGEDMM N#CC1(OC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCC1 ZINC000762093906 723214475 /nfs/dbraw/zinc/21/44/75/723214475.db2.gz IYAPYWHPLRQCQS-UHFFFAOYSA-N -1 1 356.403 3.090 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NN2C(=O)c3ccccc3C2=O)c1 ZINC000781571835 724575731 /nfs/dbraw/zinc/57/57/31/724575731.db2.gz NHQFUNAZGXJVIT-UHFFFAOYSA-N -1 1 359.179 3.093 20 30 FGEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)c(Cl)c1Cl ZINC000731157775 722473685 /nfs/dbraw/zinc/47/36/85/722473685.db2.gz QUXXKOHQYAXAPC-UHFFFAOYSA-N -1 1 371.615 3.228 20 30 FGEDMM CN1c2ccccc2C(=NN=c2[n-]c(-c3ccc(Cl)cc3)no2)C1=O ZINC000732925418 722490489 /nfs/dbraw/zinc/49/04/89/722490489.db2.gz KKGXPHTVFBNDOY-UHFFFAOYSA-N -1 1 353.769 3.183 20 30 FGEDMM CN1c2ccccc2C(=NN=c2nc(-c3ccc(Cl)cc3)[n-]o2)C1=O ZINC000732925418 722490490 /nfs/dbraw/zinc/49/04/90/722490490.db2.gz KKGXPHTVFBNDOY-UHFFFAOYSA-N -1 1 353.769 3.183 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=C2CCCOc3c(Br)cccc32)n1 ZINC000733743418 722500483 /nfs/dbraw/zinc/50/04/83/722500483.db2.gz PTHFEKKTILTMNP-UHFFFAOYSA-N -1 1 363.215 3.242 20 30 FGEDMM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000741657731 722548076 /nfs/dbraw/zinc/54/80/76/722548076.db2.gz VSAAVKCFXKYHFV-UHFFFAOYSA-N -1 1 363.410 3.264 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 ZINC000743418891 722567271 /nfs/dbraw/zinc/56/72/71/722567271.db2.gz MGOMAZHAIWIZGQ-AWEZNQCLSA-N -1 1 362.817 3.148 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000755583238 722954605 /nfs/dbraw/zinc/95/46/05/722954605.db2.gz CVNKKUTXTUBUSC-SOFYXZRVSA-N -1 1 357.728 3.382 20 30 FGEDMM CC(=NNC(=S)NCCc1cccs1)c1cc(F)cc(F)c1[O-] ZINC000757460064 722976467 /nfs/dbraw/zinc/97/64/67/722976467.db2.gz NAMALUMTDAQOMO-UHFFFAOYSA-N -1 1 355.435 3.163 20 30 FGEDMM Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763372129 723337960 /nfs/dbraw/zinc/33/79/60/723337960.db2.gz UJOZVQUJOIAYEW-UHFFFAOYSA-N -1 1 355.785 3.373 20 30 FGEDMM CC1(C)C(=NN=C2[N-]S(=O)(=O)c3ccccc32)C[C@H]1c1ccccc1 ZINC000768481680 723659013 /nfs/dbraw/zinc/65/90/13/723659013.db2.gz FIUDXJZMSWIOCI-HNNXBMFYSA-N -1 1 353.447 3.295 20 30 FGEDMM CC[C@@H]1CC[C@@H](C)CC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000797402067 723812197 /nfs/dbraw/zinc/81/21/97/723812197.db2.gz SOYLQNVBKHQVKL-TZMCWYRMSA-N -1 1 353.444 3.216 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)oc2C)cc1Cl ZINC000797943976 723888630 /nfs/dbraw/zinc/88/86/30/723888630.db2.gz YYZARNZYBPTTHL-CYBMUJFWSA-N -1 1 357.753 3.083 20 30 FGEDMM Cc1cc(C(F)(F)F)ccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000785452685 724913551 /nfs/dbraw/zinc/91/35/51/724913551.db2.gz HIXUDGCMKZBDCM-UHFFFAOYSA-N -1 1 367.352 3.086 20 30 FGEDMM COc1cc(C(=O)Nc2ccc(F)cc2OCC#N)cc(Cl)c1[O-] ZINC000785610300 724924814 /nfs/dbraw/zinc/92/48/14/724924814.db2.gz OPSOGDQBTFEXAR-UHFFFAOYSA-N -1 1 350.733 3.348 20 30 FGEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(Br)cc1 ZINC000785805866 724938403 /nfs/dbraw/zinc/93/84/03/724938403.db2.gz ZJZJOXPULIYQIB-LBPRGKRZSA-N -1 1 373.197 3.070 20 30 FGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccccc1Br ZINC000786169272 724964659 /nfs/dbraw/zinc/96/46/59/724964659.db2.gz WIIYEDDSRYXMSM-GFCCVEGCSA-N -1 1 373.197 3.070 20 30 FGEDMM COC(C)(C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000786276953 724970914 /nfs/dbraw/zinc/97/09/14/724970914.db2.gz NZKXZHBEYPOVBT-LLVKDONJSA-N -1 1 359.451 3.267 20 30 FGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C/c2ccccc2Br)c1 ZINC000788846008 725091008 /nfs/dbraw/zinc/09/10/08/725091008.db2.gz OHTKWMHUJQZRKQ-SOFGYWHQSA-N -1 1 364.224 3.128 20 30 FGEDMM C=C(C)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830013 725099466 /nfs/dbraw/zinc/09/94/66/725099466.db2.gz VERGJPOTXFHVDI-HOCLYGCPSA-N -1 1 356.388 3.455 20 30 FGEDMM CC(C)(C)n1ncc2c1nc(NN=Cc1cccc([O-])c1Cl)[nH]c2=O ZINC000814846922 727005698 /nfs/dbraw/zinc/00/56/98/727005698.db2.gz RXKPJSNHMPOAME-UHFFFAOYSA-N -1 1 360.805 3.092 20 30 FGEDMM C=CCN(CC(=O)[O-])Cc1ccc(I)cc1Cl ZINC000846262081 730941367 /nfs/dbraw/zinc/94/13/67/730941367.db2.gz BBJOHHWJNVUKQL-UHFFFAOYSA-N -1 1 365.598 3.017 20 30 FGEDMM Cn1ncc(C2CC2)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000853280358 731690931 /nfs/dbraw/zinc/69/09/31/731690931.db2.gz IJTPTKFVDHWSKE-UHFFFAOYSA-N -1 1 370.507 3.352 20 30 FGEDMM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cccc(F)c1[O-] ZINC000863008622 732900643 /nfs/dbraw/zinc/90/06/43/732900643.db2.gz YZROBZTYEWQLLA-ZDUSSCGKSA-N -1 1 351.378 3.057 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)cc1 ZINC000870146340 733816252 /nfs/dbraw/zinc/81/62/52/733816252.db2.gz XCGCDTHWKTVHQH-CYBMUJFWSA-N -1 1 357.435 3.410 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H]1CCC(F)(F)C1 ZINC000872338015 735616821 /nfs/dbraw/zinc/61/68/21/735616821.db2.gz LYKOTWLZZDOMMI-SNVBAGLBSA-N -1 1 370.381 3.293 20 30 FGEDMM CCCC1N=NC(=S)N1N=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872373346 735621701 /nfs/dbraw/zinc/62/17/01/735621701.db2.gz BKLONVMMHKXIQO-UHFFFAOYSA-N -1 1 368.488 3.205 20 30 FGEDMM N#Cc1cnc(Cl)c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000876559009 736113872 /nfs/dbraw/zinc/11/38/72/736113872.db2.gz UIJHPLQICKKVCE-UHFFFAOYSA-N -1 1 355.825 3.407 20 30 FGEDMM Oc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(O)c1 ZINC000916368405 758075287 /nfs/dbraw/zinc/07/52/87/758075287.db2.gz DQCVXHRXFBFOMM-UHFFFAOYSA-N -1 1 358.448 3.153 20 30 FGEDMM Oc1cccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1O ZINC000916368975 758076442 /nfs/dbraw/zinc/07/64/42/758076442.db2.gz YTPBECZDSPCYLM-UHFFFAOYSA-N -1 1 358.448 3.153 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Br ZINC000006316452 206241749 /nfs/dbraw/zinc/24/17/49/206241749.db2.gz YXHGLOSKMCSPGW-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000579694522 505603373 /nfs/dbraw/zinc/60/33/73/505603373.db2.gz GEVBOAVFOYZUII-AAEUAGOBSA-N -1 1 356.325 3.004 20 30 FGEDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2SCC#N)n1 ZINC000006609402 493970318 /nfs/dbraw/zinc/97/03/18/493970318.db2.gz UUHNIEMCXDIYFM-UHFFFAOYSA-N -1 1 374.491 3.069 20 30 FGEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)no1 ZINC000063849657 494093226 /nfs/dbraw/zinc/09/32/26/494093226.db2.gz VWHZNMJKPSARSC-UHFFFAOYSA-N -1 1 374.809 3.371 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1 ZINC000036760482 494097381 /nfs/dbraw/zinc/09/73/81/494097381.db2.gz INMSBIVAUKQULL-UHFFFAOYSA-N -1 1 365.414 3.333 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126807038 494841285 /nfs/dbraw/zinc/84/12/85/494841285.db2.gz PLZWZWKCYZGQFC-UHFFFAOYSA-N -1 1 350.831 3.393 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1Cl ZINC000126842656 494847609 /nfs/dbraw/zinc/84/76/09/494847609.db2.gz HTUCDLJBIHBQNV-UHFFFAOYSA-N -1 1 350.831 3.393 20 30 FGEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC#N)c2)cc1 ZINC000126888467 494855982 /nfs/dbraw/zinc/85/59/82/494855982.db2.gz CRIYFGXAHYIDKI-UHFFFAOYSA-N -1 1 371.462 3.083 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000116856351 494862146 /nfs/dbraw/zinc/86/21/46/494862146.db2.gz UOCSFISWLMNINH-OAHLLOKOSA-N -1 1 358.463 3.490 20 30 FGEDMM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cn2)cc1 ZINC000109413014 494870871 /nfs/dbraw/zinc/87/08/71/494870871.db2.gz NTZBNSZMUODBQK-KRWDZBQOSA-N -1 1 371.400 3.306 20 30 FGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c1C#N ZINC000134617984 495176889 /nfs/dbraw/zinc/17/68/89/495176889.db2.gz PCOKGWFYONPPEI-UHFFFAOYSA-N -1 1 358.419 3.075 20 30 FGEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)n1 ZINC000114673481 495406667 /nfs/dbraw/zinc/40/66/67/495406667.db2.gz XHRMZFBOOPQDIW-UHFFFAOYSA-N -1 1 366.446 3.470 20 30 FGEDMM CCOc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc(Cl)c1[O-] ZINC000130637042 495422545 /nfs/dbraw/zinc/42/25/45/495422545.db2.gz RLJHKGFYTHMCRF-UHFFFAOYSA-N -1 1 372.808 3.219 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1 ZINC000125585529 495467005 /nfs/dbraw/zinc/46/70/05/495467005.db2.gz MDNKFDBFSUEKCB-UHFFFAOYSA-N -1 1 367.386 3.204 20 30 FGEDMM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000154172750 495533975 /nfs/dbraw/zinc/53/39/75/495533975.db2.gz AKTBHAMQOHWBGV-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000179956788 495799922 /nfs/dbraw/zinc/79/99/22/495799922.db2.gz QXYRDLIZIIMVGO-UHFFFAOYSA-N -1 1 366.324 3.254 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000151563364 495879877 /nfs/dbraw/zinc/87/98/77/495879877.db2.gz OIVSLKGHTLGHCH-GFCCVEGCSA-N -1 1 371.393 3.392 20 30 FGEDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)n[nH]2)cc1 ZINC000153167934 496373300 /nfs/dbraw/zinc/37/33/00/496373300.db2.gz OPIDSRKTJSSIRE-UHFFFAOYSA-N -1 1 367.434 3.097 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c2cccnc12 ZINC000178315282 496409330 /nfs/dbraw/zinc/40/93/30/496409330.db2.gz XMWLLPCYKFAHPY-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187546244 496485352 /nfs/dbraw/zinc/48/53/52/496485352.db2.gz WDYLKVFFWAJJBN-UHFFFAOYSA-N -1 1 353.787 3.239 20 30 FGEDMM CN(CCc1ccc(Br)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188293733 496743233 /nfs/dbraw/zinc/74/32/33/496743233.db2.gz SCBHUWXDRNZIED-UHFFFAOYSA-N -1 1 359.223 3.341 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249116223 497170045 /nfs/dbraw/zinc/17/00/45/497170045.db2.gz SGMIRLVGGNNINQ-SJLPKXTDSA-N -1 1 373.815 3.232 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1 ZINC000279933459 497593646 /nfs/dbraw/zinc/59/36/46/497593646.db2.gz LQQNJZDGRBHQMV-GOSISDBHSA-N -1 1 372.446 3.111 20 30 FGEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190887128 497633235 /nfs/dbraw/zinc/63/32/35/497633235.db2.gz DXYHASSHJPIUAY-SSDOTTSWSA-N -1 1 369.643 3.212 20 30 FGEDMM Cc1cc(C(=O)N2CCSCC2)ccc1/N=C/c1ccc(O)c([O-])c1O ZINC000299672021 497888804 /nfs/dbraw/zinc/88/88/04/497888804.db2.gz SLSQNYVQOSAEQD-RGVLZGJSSA-N -1 1 372.446 3.051 20 30 FGEDMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc21 ZINC000332698443 498768203 /nfs/dbraw/zinc/76/82/03/498768203.db2.gz XPOYVQWHNAHGEA-UHFFFAOYSA-N -1 1 355.463 3.281 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)[C@@H]1C[C@@H]1C ZINC000295186764 498936189 /nfs/dbraw/zinc/93/61/89/498936189.db2.gz KAFQZNNQOXQOBY-ORAYPTAESA-N -1 1 369.446 3.120 20 30 FGEDMM O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cncc([O-])c1 ZINC000328826863 498951779 /nfs/dbraw/zinc/95/17/79/498951779.db2.gz SLEIJNWULGFINY-CYBMUJFWSA-N -1 1 372.425 3.228 20 30 FGEDMM N#Cc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000373636886 499481139 /nfs/dbraw/zinc/48/11/39/499481139.db2.gz GJHSGIXJEOKZRG-UHFFFAOYSA-N -1 1 351.362 3.271 20 30 FGEDMM CSc1nc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c2ccccn12 ZINC000429560280 500103716 /nfs/dbraw/zinc/10/37/16/500103716.db2.gz JESGUXQPFKUZTI-LLVKDONJSA-N -1 1 362.418 3.126 20 30 FGEDMM N#Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000429679472 500123254 /nfs/dbraw/zinc/12/32/54/500123254.db2.gz QFRAOVYXJAJAOD-NSHDSACASA-N -1 1 364.386 3.230 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1F ZINC000427286925 500378056 /nfs/dbraw/zinc/37/80/56/500378056.db2.gz CXPKFHAEHVSLHE-UHFFFAOYSA-N -1 1 356.325 3.142 20 30 FGEDMM COc1cc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc(Cl)c1[O-] ZINC000443064621 500672610 /nfs/dbraw/zinc/67/26/10/500672610.db2.gz YKWQZUVSAWIBCW-QGZVFWFLSA-N -1 1 372.808 3.140 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1C(F)(F)F ZINC000443403666 500719647 /nfs/dbraw/zinc/71/96/47/500719647.db2.gz BVKSWTYJICXWTI-UHFFFAOYSA-N -1 1 368.336 3.408 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000443421678 500722784 /nfs/dbraw/zinc/72/27/84/500722784.db2.gz YYNDRQQHFDMIDS-UHFFFAOYSA-N -1 1 364.854 3.358 20 30 FGEDMM O=S(=O)([N-]CCCC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000439235978 500872946 /nfs/dbraw/zinc/87/29/46/500872946.db2.gz KTLIJLSPPNIGGV-UHFFFAOYSA-N -1 1 353.259 3.465 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000439245169 500874040 /nfs/dbraw/zinc/87/40/40/500874040.db2.gz IFTKUQBJGYVRFC-UHFFFAOYSA-N -1 1 366.240 3.163 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000589169891 506469731 /nfs/dbraw/zinc/46/97/31/506469731.db2.gz RBPDJORRNNUXFX-GHMZBOCLSA-N -1 1 366.261 3.467 20 30 FGEDMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000435480277 500984021 /nfs/dbraw/zinc/98/40/21/500984021.db2.gz GDLMNCCCLOPIJB-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1C#N ZINC000435718476 501016844 /nfs/dbraw/zinc/01/68/44/501016844.db2.gz DYTHQXORGCUUMR-UHFFFAOYSA-N -1 1 352.362 3.311 20 30 FGEDMM N#Cc1cccc(C2(NC(=O)c3ccc(Br)cc3[O-])CC2)c1 ZINC000436609210 501169458 /nfs/dbraw/zinc/16/94/58/501169458.db2.gz WEOARLJOMXFECL-UHFFFAOYSA-N -1 1 357.207 3.445 20 30 FGEDMM O=C(NCCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436903935 501230288 /nfs/dbraw/zinc/23/02/88/501230288.db2.gz XRYIMFXFPGDMTK-UHFFFAOYSA-N -1 1 363.229 3.058 20 30 FGEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)[nH]n1 ZINC000450979472 501236544 /nfs/dbraw/zinc/23/65/44/501236544.db2.gz IWNNLPUOJLJWTD-UHFFFAOYSA-N -1 1 352.847 3.128 20 30 FGEDMM N#Cc1cccc(COc2cccc(/C=C\c3cc(=O)n4[n-]cnc4n3)c2)c1 ZINC000486129766 502056278 /nfs/dbraw/zinc/05/62/78/502056278.db2.gz ZBGORMKHSDAFEE-FPLPWBNLSA-N -1 1 369.384 3.039 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000465100741 502191061 /nfs/dbraw/zinc/19/10/61/502191061.db2.gz CNEDQHHLDJYGLX-CQSZACIVSA-N -1 1 358.463 3.409 20 30 FGEDMM C=CCCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475725554 502266274 /nfs/dbraw/zinc/26/62/74/502266274.db2.gz CDYYIVPBIILSOX-UHFFFAOYSA-N -1 1 362.426 3.209 20 30 FGEDMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000479520849 502285195 /nfs/dbraw/zinc/28/51/95/502285195.db2.gz YPPOHQKVIHXTMI-UHFFFAOYSA-N -1 1 352.799 3.030 20 30 FGEDMM C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000476583785 502533375 /nfs/dbraw/zinc/53/33/75/502533375.db2.gz WKXFAVHIKBEAAD-LURJTMIESA-N -1 1 353.259 3.321 20 30 FGEDMM C=CCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000469893270 502587540 /nfs/dbraw/zinc/58/75/40/502587540.db2.gz NSZWMKOPNTYPST-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000477398240 502764466 /nfs/dbraw/zinc/76/44/66/502764466.db2.gz NSGRSNWHFSROTN-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM Cc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000509910137 503010164 /nfs/dbraw/zinc/01/01/64/503010164.db2.gz LPQXCYRSJINVJG-UHFFFAOYSA-N -1 1 373.416 3.304 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[nH][n-]2)s1 ZINC000506181386 503064168 /nfs/dbraw/zinc/06/41/68/503064168.db2.gz AUXHKODTCKBSJU-GOSISDBHSA-N -1 1 374.466 3.069 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000504054396 503515795 /nfs/dbraw/zinc/51/57/95/503515795.db2.gz AWCDAXPRHGFIEN-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)c1 ZINC000540486056 503787670 /nfs/dbraw/zinc/78/76/70/503787670.db2.gz UWTUUKQEWUAZOH-UHFFFAOYSA-N -1 1 361.419 3.147 20 30 FGEDMM CC[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000546569636 503792104 /nfs/dbraw/zinc/79/21/04/503792104.db2.gz LUAKPSFDFIQEMU-INIZCTEOSA-N -1 1 371.462 3.218 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(F)F)cc2)n1 ZINC000517918480 503867107 /nfs/dbraw/zinc/86/71/07/503867107.db2.gz LCFDVIWFHNCWIM-LLVKDONJSA-N -1 1 366.345 3.411 20 30 FGEDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000547871159 504255705 /nfs/dbraw/zinc/25/57/05/504255705.db2.gz HDAXDDKMTMFYOY-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F ZINC000542235742 504416646 /nfs/dbraw/zinc/41/66/46/504416646.db2.gz LODDGMHBPRXFLJ-UHFFFAOYSA-N -1 1 352.362 3.424 20 30 FGEDMM CC1CC(C#N)(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)C1 ZINC000535780932 504542350 /nfs/dbraw/zinc/54/23/50/504542350.db2.gz MFVQPROREQNLLZ-UHFFFAOYSA-N -1 1 365.256 3.201 20 30 FGEDMM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(C(F)(F)F)c(F)c1 ZINC000562615614 504881238 /nfs/dbraw/zinc/88/12/38/504881238.db2.gz LCAAVEBYVFAEDZ-UHFFFAOYSA-N -1 1 357.222 3.023 20 30 FGEDMM CC(C)(Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553876047 505031086 /nfs/dbraw/zinc/03/10/86/505031086.db2.gz WHWHSEVTQJFNKH-UHFFFAOYSA-N -1 1 372.368 3.470 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1 ZINC000593213199 506468892 /nfs/dbraw/zinc/46/88/92/506468892.db2.gz IWKFVSKLLDMLQG-UHFFFAOYSA-N -1 1 369.446 3.025 20 30 FGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000589170197 506469552 /nfs/dbraw/zinc/46/95/52/506469552.db2.gz PSIYNDHJDDMOJN-LBPRGKRZSA-N -1 1 364.405 3.039 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3cccc(Br)c3)CC2)c1 ZINC000589181337 506473581 /nfs/dbraw/zinc/47/35/81/506473581.db2.gz OVBJPMBLVIIJQL-UHFFFAOYSA-N -1 1 371.234 3.488 20 30 FGEDMM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589187360 506474721 /nfs/dbraw/zinc/47/47/21/506474721.db2.gz YRQJVJUHNLKSFO-AWEZNQCLSA-N -1 1 369.852 3.436 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000589189022 506474855 /nfs/dbraw/zinc/47/48/55/506474855.db2.gz ULEHIGNXCALOGW-GHMZBOCLSA-N -1 1 352.234 3.077 20 30 FGEDMM CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc([O-])cc(C#N)c3)n2)cc1 ZINC000589189783 506477367 /nfs/dbraw/zinc/47/73/67/506477367.db2.gz RXMIPVUHJDDNOD-LBPRGKRZSA-N -1 1 362.389 3.367 20 30 FGEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000603973365 506676095 /nfs/dbraw/zinc/67/60/95/506676095.db2.gz AZPVIQMTOUIBPS-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM N#Cc1cscc1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316198 506792751 /nfs/dbraw/zinc/79/27/51/506792751.db2.gz CXXHJNZCCLULSQ-UHFFFAOYSA-N -1 1 370.171 3.182 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)[n-]c(=O)c1C1CC1 ZINC000601087855 507256566 /nfs/dbraw/zinc/25/65/66/507256566.db2.gz JGJMFVRWTLHOPP-LBPRGKRZSA-N -1 1 360.483 3.191 20 30 FGEDMM N#CCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594774021 507275837 /nfs/dbraw/zinc/27/58/37/507275837.db2.gz VSDVLTKJTUNESH-UHFFFAOYSA-N -1 1 372.071 3.338 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)c1 ZINC000614298040 507446663 /nfs/dbraw/zinc/44/66/63/507446663.db2.gz ZDCYIRVSQYIBRZ-HXUWFJFHSA-N -1 1 350.418 3.478 20 30 FGEDMM COC(=O)c1cc(Cl)cc(NC(=O)c2ncc(C#N)cc2Cl)c1[O-] ZINC000588099401 507762245 /nfs/dbraw/zinc/76/22/45/507762245.db2.gz UEGFCXUJRNQLRU-UHFFFAOYSA-N -1 1 366.160 3.005 20 30 FGEDMM C[C@@H](C#N)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819856929 607323284 /nfs/dbraw/zinc/32/32/84/607323284.db2.gz MURHLEBMPAUARN-NSHDSACASA-N -1 1 367.340 3.115 20 30 FGEDMM C[C@@H](C#N)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819856929 607323285 /nfs/dbraw/zinc/32/32/85/607323285.db2.gz MURHLEBMPAUARN-NSHDSACASA-N -1 1 367.340 3.115 20 30 FGEDMM Cc1nc(C)c(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000735450533 598362737 /nfs/dbraw/zinc/36/27/37/598362737.db2.gz AANPBOUAIBAGQD-UHFFFAOYSA-N -1 1 360.447 3.062 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)c(F)c(F)c2)o1 ZINC000735656671 598537057 /nfs/dbraw/zinc/53/70/57/598537057.db2.gz LZIOUDRSSLGXIG-UHFFFAOYSA-N -1 1 365.319 3.016 20 30 FGEDMM N#Cc1ccccc1CSCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737727230 598572328 /nfs/dbraw/zinc/57/23/28/598572328.db2.gz HITIQOJEOIYXFC-UHFFFAOYSA-N -1 1 371.857 3.132 20 30 FGEDMM N#Cc1ccccc1CSCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737727230 598572330 /nfs/dbraw/zinc/57/23/30/598572330.db2.gz HITIQOJEOIYXFC-UHFFFAOYSA-N -1 1 371.857 3.132 20 30 FGEDMM Cc1cccc2c1CCC2N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000737408217 598787666 /nfs/dbraw/zinc/78/76/66/598787666.db2.gz HGWHFHXVLNOPTG-UHFFFAOYSA-N -1 1 351.414 3.223 20 30 FGEDMM CCO[C@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C12CCCC2 ZINC000821351025 599337678 /nfs/dbraw/zinc/33/76/78/599337678.db2.gz IZEALNDAYGDAKS-ZDUSSCGKSA-N -1 1 373.461 3.190 20 30 FGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000739106375 600561897 /nfs/dbraw/zinc/56/18/97/600561897.db2.gz RQJFGWZIVGJLSL-ANIGNSTFSA-N -1 1 361.445 3.015 20 30 FGEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000736811299 600571461 /nfs/dbraw/zinc/57/14/61/600571461.db2.gz XNTTXBRBTISTHH-CKEIUWERSA-N -1 1 373.453 3.014 20 30 FGEDMM CC[C@H](C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828700913 601300888 /nfs/dbraw/zinc/30/08/88/601300888.db2.gz UQMRDUVFTAFUFZ-LIRRHRJNSA-N -1 1 365.433 3.458 20 30 FGEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000828414060 601317209 /nfs/dbraw/zinc/31/72/09/601317209.db2.gz WRNMCXZUGCXDBG-JKIFEVAISA-N -1 1 373.453 3.014 20 30 FGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000832876606 601842653 /nfs/dbraw/zinc/84/26/53/601842653.db2.gz LIVXFBNOFRSXML-UHFFFAOYSA-N -1 1 371.481 3.127 20 30 FGEDMM C[C@@H](Oc1ccc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)cc1)C(=O)[O-] ZINC000794886977 602070703 /nfs/dbraw/zinc/07/07/03/602070703.db2.gz CDPCRGFEKXUQSO-SECBINFHSA-N -1 1 360.320 3.139 20 30 FGEDMM N#Cc1ccc(CN[C@H]2C[C@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)cc1 ZINC000833971972 605632750 /nfs/dbraw/zinc/63/27/50/605632750.db2.gz QXVBELAXRNNREX-RXVVDRJESA-N -1 1 363.417 3.294 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c(Cl)c1 ZINC000833976357 605751806 /nfs/dbraw/zinc/75/18/06/605751806.db2.gz FIUKEQPQRGVIIO-UHFFFAOYSA-N -1 1 351.771 3.102 20 30 FGEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC000820832552 607036185 /nfs/dbraw/zinc/03/61/85/607036185.db2.gz LFPVWXSSQCLBON-UHFFFAOYSA-N -1 1 368.445 3.270 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000824141591 607887265 /nfs/dbraw/zinc/88/72/65/607887265.db2.gz KSEUCQQTGSYMBS-QWHCGFSZSA-N -1 1 351.414 3.354 20 30 FGEDMM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2cn[nH]c21 ZINC000048614379 695885581 /nfs/dbraw/zinc/88/55/81/695885581.db2.gz UONKWVVWLCYTKP-UHFFFAOYSA-N -1 1 369.324 3.275 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cnc2ccc(Br)cn12 ZINC000077998484 700271961 /nfs/dbraw/zinc/27/19/61/700271961.db2.gz YBLGKXHEJSQYRE-RZNTYIFUSA-N -1 1 357.163 3.419 20 30 FGEDMM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000079700453 700303667 /nfs/dbraw/zinc/30/36/67/700303667.db2.gz CXHFSBBIXRTPEZ-MRVPVSSYSA-N -1 1 363.340 3.201 20 30 FGEDMM C#C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000152834635 704975038 /nfs/dbraw/zinc/97/50/38/704975038.db2.gz ZPXDZOKZJSCINR-GOSISDBHSA-N -1 1 355.415 3.056 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000155910190 705095124 /nfs/dbraw/zinc/09/51/24/705095124.db2.gz FTMHNVZXYFZROR-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000179611094 705707030 /nfs/dbraw/zinc/70/70/30/705707030.db2.gz MWPWAXRZFUFZAJ-GFCCVEGCSA-N -1 1 363.826 3.213 20 30 FGEDMM N#Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1[O-] ZINC000615468663 714530040 /nfs/dbraw/zinc/53/00/40/714530040.db2.gz WHKFXAITIOTNDJ-GHMZBOCLSA-N -1 1 366.261 3.467 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(Br)ccc1[O-] ZINC000618788660 714778967 /nfs/dbraw/zinc/77/89/67/714778967.db2.gz YBTUJQBCMRBHDA-OAHLLOKOSA-N -1 1 357.207 3.444 20 30 FGEDMM Cc1nc(C#N)c(N=NC(C)c2cc(Br)c(F)cc2[O-])o1 ZINC000746564700 722608567 /nfs/dbraw/zinc/60/85/67/722608567.db2.gz MIOMCWMUZQYWOF-UHFFFAOYSA-N -1 1 353.151 3.298 20 30 FGEDMM C[C@@H]1CC(C)(C)CCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000748248282 722681493 /nfs/dbraw/zinc/68/14/93/722681493.db2.gz CPWYLGGXLNNNPL-GFCCVEGCSA-N -1 1 353.444 3.216 20 30 FGEDMM CC(C)C(CCc1ccc(Cl)cc1)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000748252995 722681821 /nfs/dbraw/zinc/68/18/21/722681821.db2.gz YZIWRYJHHINJEJ-UHFFFAOYSA-N -1 1 358.833 3.142 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000796624633 723647269 /nfs/dbraw/zinc/64/72/69/723647269.db2.gz QIWSGJTUNNBSCS-UHFFFAOYSA-N -1 1 370.352 3.307 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801833117 724338040 /nfs/dbraw/zinc/33/80/40/724338040.db2.gz ASWLFQCWSFEHJO-ZETCQYMHSA-N -1 1 356.201 3.492 20 30 FGEDMM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778828619 724366211 /nfs/dbraw/zinc/36/62/11/724366211.db2.gz YKXAYJPCLZPDRL-NSHDSACASA-N -1 1 370.243 3.125 20 30 FGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000809752647 725265265 /nfs/dbraw/zinc/26/52/65/725265265.db2.gz UBJYYBXEJQGLCR-JDNHERCYSA-N -1 1 365.216 3.423 20 30 FGEDMM O=C([O-])c1ccc(N=NC2CCc3sc(Br)cc32)nc1 ZINC000814890750 727008804 /nfs/dbraw/zinc/00/88/04/727008804.db2.gz YBSJYZRQTISLGG-UHFFFAOYSA-N -1 1 352.213 3.366 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)cc2Cl)o1 ZINC000820108232 728967480 /nfs/dbraw/zinc/96/74/80/728967480.db2.gz HDHTWLPJOALUET-UHFFFAOYSA-N -1 1 363.784 3.292 20 30 FGEDMM C=CCSCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830235952 729545170 /nfs/dbraw/zinc/54/51/70/729545170.db2.gz OSCCLFYJZAMDBK-UHFFFAOYSA-N -1 1 371.267 3.099 20 30 FGEDMM COc1cc(C(=O)/C=C\c2nccn2CC(F)(F)F)cc(OC)c1[O-] ZINC000843271051 730601369 /nfs/dbraw/zinc/60/13/69/730601369.db2.gz QICHVJVYZPFRJB-ARJAWSKDSA-N -1 1 356.300 3.064 20 30 FGEDMM Cc1nnc(N=NC(C)c2cc(Br)cc(Cl)c2[O-])n1C ZINC000853432601 731701795 /nfs/dbraw/zinc/70/17/95/731701795.db2.gz ASECPIOKQDINRU-UHFFFAOYSA-N -1 1 358.627 3.081 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(OC)c2C)n1 ZINC000870174150 733820006 /nfs/dbraw/zinc/82/00/06/733820006.db2.gz GGVCFRGPWPOMQR-ZDUSSCGKSA-N -1 1 358.419 3.435 20 30 FGEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000901590291 743593859 /nfs/dbraw/zinc/59/38/59/743593859.db2.gz GNAHXLKIXQBPDZ-UHFFFAOYSA-N -1 1 358.419 3.105 20 30 FGEDMM N#CCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000901741494 743630231 /nfs/dbraw/zinc/63/02/31/743630231.db2.gz LSAZTNYHFVPQFO-UHFFFAOYSA-N -1 1 358.419 3.105 20 30 FGEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2sccc2C)C1=O ZINC000906485535 744136466 /nfs/dbraw/zinc/13/64/66/744136466.db2.gz IXWKNNIEKVOCNL-QGZVFWFLSA-N -1 1 351.472 3.372 20 30 FGEDMM [O-]c1ccc(C=NNC(=S)Nc2ccccc2)cc1Br ZINC000915922796 758004224 /nfs/dbraw/zinc/00/42/24/758004224.db2.gz FZCCBLBRNPBEBD-UHFFFAOYSA-N -1 1 350.241 3.475 20 30 FGEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)O[C@@H](C)C#N)c1 ZINC000916065354 758031293 /nfs/dbraw/zinc/03/12/93/758031293.db2.gz IGCXXMDEISLVRO-LBPRGKRZSA-N -1 1 362.382 3.004 20 30 FGEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)O[C@H](C)C#N)c1 ZINC000916065352 758031689 /nfs/dbraw/zinc/03/16/89/758031689.db2.gz IGCXXMDEISLVRO-GFCCVEGCSA-N -1 1 362.382 3.004 20 30 FGEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccc(Cl)s1 ZINC000916963077 758156532 /nfs/dbraw/zinc/15/65/32/758156532.db2.gz NTSFLSBCWYDEIH-SNVBAGLBSA-N -1 1 362.794 3.134 20 30 FGEDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1C#N ZINC000568331771 505667888 /nfs/dbraw/zinc/66/78/88/505667888.db2.gz QIAKUOHINVYYKI-MRVPVSSYSA-N -1 1 350.350 3.111 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000029329391 493833809 /nfs/dbraw/zinc/83/38/09/493833809.db2.gz ZEJWRCXMJQGDGU-UHFFFAOYSA-N -1 1 367.377 3.073 20 30 FGEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n[nH]1 ZINC000050535004 493920011 /nfs/dbraw/zinc/92/00/11/493920011.db2.gz MLPNFVMHPKXINC-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1 ZINC000060341789 493924567 /nfs/dbraw/zinc/92/45/67/493924567.db2.gz DYTDBDDWAQFKAV-UHFFFAOYSA-N -1 1 371.443 3.395 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000008316813 494083415 /nfs/dbraw/zinc/08/34/15/494083415.db2.gz XFHPVYVFVHCDSQ-UHFFFAOYSA-N -1 1 350.827 3.057 20 30 FGEDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000011443472 494177240 /nfs/dbraw/zinc/17/72/40/494177240.db2.gz WJQSYQKMUATYLT-CQSZACIVSA-N -1 1 370.478 3.150 20 30 FGEDMM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2[nH]1 ZINC000065644549 494222500 /nfs/dbraw/zinc/22/25/00/494222500.db2.gz MMYLJKGKVHRYFO-CQSZACIVSA-N -1 1 372.344 3.147 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccccc3C)nc(=O)c2c1C ZINC000121973857 494901732 /nfs/dbraw/zinc/90/17/32/494901732.db2.gz RHHXOVBMWMDUNF-LBPRGKRZSA-N -1 1 352.419 3.156 20 30 FGEDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)on1 ZINC000122298651 494953829 /nfs/dbraw/zinc/95/38/29/494953829.db2.gz JDVPBJKZCPSLSZ-UHFFFAOYSA-N -1 1 351.403 3.067 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000096487740 495012393 /nfs/dbraw/zinc/01/23/93/495012393.db2.gz ZWYDKEWMZKQRDB-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM N#CC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCC1 ZINC000134604753 495174655 /nfs/dbraw/zinc/17/46/55/495174655.db2.gz WOXFJKQFLRONNN-UHFFFAOYSA-N -1 1 355.419 3.120 20 30 FGEDMM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000154173563 495534145 /nfs/dbraw/zinc/53/41/45/495534145.db2.gz AVEAJRIVBUIHFY-UHFFFAOYSA-N -1 1 362.426 3.193 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)ccc1Cl ZINC000171014136 495690512 /nfs/dbraw/zinc/69/05/12/495690512.db2.gz YWEBLZHETHLTGP-UHFFFAOYSA-N -1 1 360.782 3.062 20 30 FGEDMM N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000159339375 495713030 /nfs/dbraw/zinc/71/30/30/495713030.db2.gz AQFFYUUBIJVVHD-UHFFFAOYSA-N -1 1 355.419 3.120 20 30 FGEDMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2CCC1=O ZINC000179769366 495727345 /nfs/dbraw/zinc/72/73/45/495727345.db2.gz HYURAXQCGNEHKP-UHFFFAOYSA-N -1 1 369.446 3.048 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 ZINC000171345277 495830410 /nfs/dbraw/zinc/83/04/10/495830410.db2.gz OAZQODXHKIZZIZ-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000174736946 496083576 /nfs/dbraw/zinc/08/35/76/496083576.db2.gz CMKPVKVTHRVASJ-UHFFFAOYSA-N -1 1 354.435 3.361 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000152640934 496210750 /nfs/dbraw/zinc/21/07/50/496210750.db2.gz OTLQYWMFEQCMPR-UHFFFAOYSA-N -1 1 355.419 3.326 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1 ZINC000172590037 496354660 /nfs/dbraw/zinc/35/46/60/496354660.db2.gz ZILURGXXFGDKMM-GOSISDBHSA-N -1 1 372.446 3.225 20 30 FGEDMM C#CCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000163146192 496472853 /nfs/dbraw/zinc/47/28/53/496472853.db2.gz UEIGIFDFLZRWJG-IBGZPJMESA-N -1 1 364.445 3.070 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1[O-] ZINC000187794646 496575316 /nfs/dbraw/zinc/57/53/16/496575316.db2.gz AUOASUQVQMATKT-CQSZACIVSA-N -1 1 356.179 3.021 20 30 FGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000154021695 496657795 /nfs/dbraw/zinc/65/77/95/496657795.db2.gz ZBUYXUNGOQNNEZ-UHFFFAOYSA-N -1 1 368.437 3.287 20 30 FGEDMM N#Cc1ccc(C(=O)NCCCO[C@H]2CCCc3ccccc32)cc1[O-] ZINC000188405201 496779270 /nfs/dbraw/zinc/77/92/70/496779270.db2.gz ZKDGTMJGKSDOBS-FQEVSTJZSA-N -1 1 350.418 3.478 20 30 FGEDMM CSc1nc(C)c(CCC(=O)Nc2ccccc2O[C@@H](C)C#N)c(=O)[n-]1 ZINC000272458616 497633246 /nfs/dbraw/zinc/63/32/46/497633246.db2.gz CHMCLIYMYPRKIC-NSHDSACASA-N -1 1 372.450 3.075 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)CC#N)cc2)c1C ZINC000194670128 497734493 /nfs/dbraw/zinc/73/44/93/497734493.db2.gz JRNJDHDWOXFCDS-CQSZACIVSA-N -1 1 371.462 3.136 20 30 FGEDMM COc1ccc(NC(=O)N[C@@H]2CCCCC2(C)C)cc1[N-]S(C)(=O)=O ZINC000330999115 498233646 /nfs/dbraw/zinc/23/36/46/498233646.db2.gz ZBNKVVZOIDPXGS-OAHLLOKOSA-N -1 1 369.487 3.171 20 30 FGEDMM C=CCn1c(COCC)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000581694637 506046126 /nfs/dbraw/zinc/04/61/26/506046126.db2.gz ABPHMGOZIOYDAT-CXAGYDPISA-N -1 1 364.877 3.264 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1[O-] ZINC000332292636 498637886 /nfs/dbraw/zinc/63/78/86/498637886.db2.gz JPNKAGDXPKRRBY-LBPRGKRZSA-N -1 1 364.327 3.026 20 30 FGEDMM CCOc1cc2c(cc1[N-]S(=O)(=O)CCC(C)(C)C#N)O[C@H](C)C2 ZINC000578991812 506069431 /nfs/dbraw/zinc/06/94/31/506069431.db2.gz LPHUOJXPMOSONE-GFCCVEGCSA-N -1 1 352.456 3.090 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1Cl ZINC000326110206 498841052 /nfs/dbraw/zinc/84/10/52/498841052.db2.gz CZIVUGWYEHTCAJ-UHFFFAOYSA-N -1 1 364.810 3.174 20 30 FGEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000410418296 499661752 /nfs/dbraw/zinc/66/17/52/499661752.db2.gz NGEPAUWADLQDRH-UHFFFAOYSA-N -1 1 352.419 3.068 20 30 FGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416346576 500022954 /nfs/dbraw/zinc/02/29/54/500022954.db2.gz ZAVHAYIWKIJNGA-INIZCTEOSA-N -1 1 364.449 3.467 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(Cc3cccc(Cl)c3)CC2)o1 ZINC000416554800 500061292 /nfs/dbraw/zinc/06/12/92/500061292.db2.gz ZLPRPRBKZJECCP-UHFFFAOYSA-N -1 1 350.827 3.106 20 30 FGEDMM COC(=O)COc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430580888 500257647 /nfs/dbraw/zinc/25/76/47/500257647.db2.gz GGFKUCOYXTWXHQ-CQSZACIVSA-N -1 1 372.446 3.482 20 30 FGEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426483253 500277500 /nfs/dbraw/zinc/27/75/00/500277500.db2.gz OMKRHGUPKDGWTR-UHFFFAOYSA-N -1 1 354.479 3.309 20 30 FGEDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1OCCCC#N ZINC000426806790 500323198 /nfs/dbraw/zinc/32/31/98/500323198.db2.gz KYDGSPDEIOFPAQ-LJQANCHMSA-N -1 1 372.396 3.432 20 30 FGEDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2o1 ZINC000427107647 500354452 /nfs/dbraw/zinc/35/44/52/500354452.db2.gz LGERGJDVDAPYCX-UHFFFAOYSA-N -1 1 374.349 3.031 20 30 FGEDMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427133985 500357440 /nfs/dbraw/zinc/35/74/40/500357440.db2.gz USCFPNNPDBCOMP-UHFFFAOYSA-N -1 1 361.398 3.093 20 30 FGEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)o1 ZINC000427195578 500365280 /nfs/dbraw/zinc/36/52/80/500365280.db2.gz GOMOUSPIELONLD-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1Br ZINC000432954300 500597226 /nfs/dbraw/zinc/59/72/26/500597226.db2.gz GORCAQJFBBQDMB-UHFFFAOYSA-N -1 1 372.631 3.170 20 30 FGEDMM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000443292316 500705067 /nfs/dbraw/zinc/70/50/67/500705067.db2.gz UZHJWFVVCKCYIQ-MRXNPFEDSA-N -1 1 350.418 3.367 20 30 FGEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2-c2cn[nH]c2)cc1C#N ZINC000439739038 500932639 /nfs/dbraw/zinc/93/26/39/500932639.db2.gz ADEJMRIOXQELDH-UHFFFAOYSA-N -1 1 351.391 3.023 20 30 FGEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435718928 501016862 /nfs/dbraw/zinc/01/68/62/501016862.db2.gz ZOFPNFUMSAASRM-AWEZNQCLSA-N -1 1 371.462 3.196 20 30 FGEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435759018 501024043 /nfs/dbraw/zinc/02/40/43/501024043.db2.gz IFVKOBFMPPRQME-UHFFFAOYSA-N -1 1 357.435 3.324 20 30 FGEDMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000436510833 501144064 /nfs/dbraw/zinc/14/40/64/501144064.db2.gz VBEPTGLVGATQKX-SFHVURJKSA-N -1 1 368.389 3.093 20 30 FGEDMM C=CCC1(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCCC1 ZINC000456368711 501511097 /nfs/dbraw/zinc/51/10/97/501511097.db2.gz AZDUQIACBZNFRV-UHFFFAOYSA-N -1 1 368.499 3.365 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C#N)C(C)C)c2)c1 ZINC000470575142 501732597 /nfs/dbraw/zinc/73/25/97/501732597.db2.gz UAXPIAZDIXBKMO-GOSISDBHSA-N -1 1 371.462 3.074 20 30 FGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471131076 501930715 /nfs/dbraw/zinc/93/07/15/501930715.db2.gz NURURWWYIXXTKY-UHFFFAOYSA-N -1 1 374.418 3.073 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1NC(=O)N(C)C ZINC000478679871 502055707 /nfs/dbraw/zinc/05/57/07/502055707.db2.gz SQQJZQPAHYZGHX-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465114873 502194078 /nfs/dbraw/zinc/19/40/78/502194078.db2.gz NLCTZZFNTQQSKB-NSHDSACASA-N -1 1 366.389 3.070 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000465113441 502194115 /nfs/dbraw/zinc/19/41/15/502194115.db2.gz RVLQEQRWMJGBBF-CQSZACIVSA-N -1 1 374.462 3.190 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000465114117 502194878 /nfs/dbraw/zinc/19/48/78/502194878.db2.gz ZRELXDMIHJKTQP-LBPRGKRZSA-N -1 1 364.854 3.445 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000465118193 502195671 /nfs/dbraw/zinc/19/56/71/502195671.db2.gz VYSQZMQMMTYFGJ-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479510065 502281438 /nfs/dbraw/zinc/28/14/38/502281438.db2.gz IAAYDXAJOAFQKZ-UHFFFAOYSA-N -1 1 358.448 3.401 20 30 FGEDMM CC(C)(C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1cc(F)cc(C#N)c1 ZINC000487563587 502480567 /nfs/dbraw/zinc/48/05/67/502480567.db2.gz HNTWTVDFQWYOFM-UHFFFAOYSA-N -1 1 354.410 3.487 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000509383004 502888570 /nfs/dbraw/zinc/88/85/70/502888570.db2.gz BIDLNPZQLZUSQQ-UHFFFAOYSA-N -1 1 356.325 3.294 20 30 FGEDMM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)nc1 ZINC000496723530 502902236 /nfs/dbraw/zinc/90/22/36/502902236.db2.gz PZDRQCRVHMUVHP-CQSZACIVSA-N -1 1 353.426 3.067 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C#N ZINC000530144132 503851493 /nfs/dbraw/zinc/85/14/93/503851493.db2.gz CXEOBEOPIJPFPG-UHFFFAOYSA-N -1 1 356.447 3.384 20 30 FGEDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000544667790 504209865 /nfs/dbraw/zinc/20/98/65/504209865.db2.gz BCAAKUZCDXZATJ-LLVKDONJSA-N -1 1 354.781 3.467 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1C(F)(F)F ZINC000531437000 504306132 /nfs/dbraw/zinc/30/61/32/504306132.db2.gz WRHKMOBFVJCVKK-UHFFFAOYSA-N -1 1 366.324 3.254 20 30 FGEDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000542233206 504415561 /nfs/dbraw/zinc/41/55/61/504415561.db2.gz JBUNDRXATFNMIF-UHFFFAOYSA-N -1 1 366.874 3.482 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Oc3ccccc3)c2)o1 ZINC000553447662 504917765 /nfs/dbraw/zinc/91/77/65/504917765.db2.gz ZGOASABECITSCP-UHFFFAOYSA-N -1 1 354.387 3.422 20 30 FGEDMM Cc1nnnn1-c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000563242196 505085230 /nfs/dbraw/zinc/08/52/30/505085230.db2.gz NKCWAEJBPWAPDX-AWEZNQCLSA-N -1 1 352.423 3.041 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](COc2ccccc2)c2ccccc2)o1 ZINC000563643227 505199894 /nfs/dbraw/zinc/19/98/94/505199894.db2.gz TZGYBFBPNICLSM-GOSISDBHSA-N -1 1 368.414 3.250 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)cc2)o1 ZINC000561504864 505363622 /nfs/dbraw/zinc/36/36/22/505363622.db2.gz CHLNAJMZVJCFNN-UHFFFAOYSA-N -1 1 360.435 3.341 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000589175204 506471488 /nfs/dbraw/zinc/47/14/88/506471488.db2.gz GFNONCMGVYJPNJ-JKSUJKDBSA-N -1 1 357.207 3.312 20 30 FGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000589203012 506481048 /nfs/dbraw/zinc/48/10/48/506481048.db2.gz DRPCKGXHIQRLLT-IEBWSBKVSA-N -1 1 354.381 3.395 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000589205723 506482816 /nfs/dbraw/zinc/48/28/16/506482816.db2.gz GTCZWAWBLPONAJ-SFHVURJKSA-N -1 1 350.422 3.383 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000589587285 506593549 /nfs/dbraw/zinc/59/35/49/506593549.db2.gz VYTAEWOMBWXUEU-UHFFFAOYSA-N -1 1 362.361 3.367 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000603974340 506678452 /nfs/dbraw/zinc/67/84/52/506678452.db2.gz OWUYQVQJNGSRJN-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM COC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c2ccccc12 ZINC000600664061 507054001 /nfs/dbraw/zinc/05/40/01/507054001.db2.gz SKEYLGWTEOOLHB-UHFFFAOYSA-N -1 1 360.435 3.308 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](C)CC(=O)N3C)ccc1C#N ZINC000600664589 507054297 /nfs/dbraw/zinc/05/42/97/507054297.db2.gz CMWGRKOMXYXYSL-ZDUSSCGKSA-N -1 1 369.446 3.138 20 30 FGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000600781707 507117763 /nfs/dbraw/zinc/11/77/63/507117763.db2.gz GVFVDZTUAVRFFX-UHFFFAOYSA-N -1 1 364.449 3.053 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]c1cc(C2CC2)n[nH]1 ZINC000594720208 507252848 /nfs/dbraw/zinc/25/28/48/507252848.db2.gz HZIVYXWMVGAESI-UHFFFAOYSA-N -1 1 358.448 3.483 20 30 FGEDMM C[C@@H](C#N)N(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CC1 ZINC000598135459 507273688 /nfs/dbraw/zinc/27/36/88/507273688.db2.gz WIEVIQKCBVWCOY-VIFPVBQESA-N -1 1 360.211 3.220 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)c1 ZINC000614366592 507480761 /nfs/dbraw/zinc/48/07/61/507480761.db2.gz RHDPMOXFKHZMSO-UHFFFAOYSA-N -1 1 370.836 3.395 20 30 FGEDMM CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614369214 507482193 /nfs/dbraw/zinc/48/21/93/507482193.db2.gz NOVBLXLPQVNNCB-UHFFFAOYSA-N -1 1 372.446 3.229 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccccc3Br)CC2)c1 ZINC000614370148 507483056 /nfs/dbraw/zinc/48/30/56/507483056.db2.gz QLSSLNKXPJUCPI-UHFFFAOYSA-N -1 1 371.234 3.488 20 30 FGEDMM CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614374054 507484917 /nfs/dbraw/zinc/48/49/17/507484917.db2.gz YJLTVPWAHULMEY-UHFFFAOYSA-N -1 1 352.390 3.149 20 30 FGEDMM C=CCCCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000606816613 507518510 /nfs/dbraw/zinc/51/85/10/507518510.db2.gz FONBDCVYNSXTSM-UHFFFAOYSA-N -1 1 356.488 3.175 20 30 FGEDMM COC1(CS(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)CCC1 ZINC000601974976 507535362 /nfs/dbraw/zinc/53/53/62/507535362.db2.gz FLRJREWVHMULOY-CYBMUJFWSA-N -1 1 354.497 3.392 20 30 FGEDMM C[C@H]1CCc2sc([N-]C(=O)c3nnn(C(C)(C)C)n3)c(C#N)c2[C@H]1C ZINC000598843370 507633347 /nfs/dbraw/zinc/63/33/47/507633347.db2.gz DNLPXSDEPDEHSZ-UWVGGRQHSA-N -1 1 358.471 3.299 20 30 FGEDMM Cc1nn(-c2ccccc2)c(CSc2nc(C)c(C)c(=O)[n-]2)c1C#N ZINC000611468993 507695023 /nfs/dbraw/zinc/69/50/23/507695023.db2.gz POFBRIZVRYUDPO-UHFFFAOYSA-N -1 1 351.435 3.457 20 30 FGEDMM N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)cc1 ZINC000737708940 598979199 /nfs/dbraw/zinc/97/91/99/598979199.db2.gz HYJJRHKLSOKMBF-UHFFFAOYSA-N -1 1 368.356 3.020 20 30 FGEDMM N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)cc1 ZINC000737708940 598979201 /nfs/dbraw/zinc/97/92/01/598979201.db2.gz HYJJRHKLSOKMBF-UHFFFAOYSA-N -1 1 368.356 3.020 20 30 FGEDMM N#Cc1ccc(Oc2cccc(Nc3nccnc3-c3nnn[n-]3)c2)cc1 ZINC000737722408 598796689 /nfs/dbraw/zinc/79/66/89/598796689.db2.gz UVNQIJQHFVBNDN-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccc(Oc2cccc(Nc3nccnc3-c3nn[n-]n3)c2)cc1 ZINC000737722408 598796690 /nfs/dbraw/zinc/79/66/90/598796690.db2.gz UVNQIJQHFVBNDN-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM CCO[C@@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C12CCCC2 ZINC000821351024 599337614 /nfs/dbraw/zinc/33/76/14/599337614.db2.gz IZEALNDAYGDAKS-CYBMUJFWSA-N -1 1 373.461 3.190 20 30 FGEDMM CC(C)Cc1ncc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000820108023 607464465 /nfs/dbraw/zinc/46/44/65/607464465.db2.gz FAYTZZPSAHSGGK-UHFFFAOYSA-N -1 1 360.447 3.079 20 30 FGEDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000832914104 600761022 /nfs/dbraw/zinc/76/10/22/600761022.db2.gz ANNVLSLCTMRZON-KGLIPLIRSA-N -1 1 351.406 3.243 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000833074739 601299997 /nfs/dbraw/zinc/29/99/97/601299997.db2.gz FBSPGMALSKLUAK-OAHLLOKOSA-N -1 1 363.186 3.375 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2ccc(OC3CCCC3)nc2)C(=O)[O-])c1 ZINC000833074640 601302048 /nfs/dbraw/zinc/30/20/48/601302048.db2.gz CBEOMLJKKJIWHL-LJQANCHMSA-N -1 1 351.406 3.190 20 30 FGEDMM N#Cc1cccc([C@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000833074824 601305818 /nfs/dbraw/zinc/30/58/18/601305818.db2.gz FCMSRLOLSYABCH-HNNXBMFYSA-N -1 1 363.186 3.375 20 30 FGEDMM NC(=NOCc1ccc(C(=O)[O-])c(F)c1)c1ccc(N2CCCCC2)cc1 ZINC000833078244 601641076 /nfs/dbraw/zinc/64/10/76/601641076.db2.gz LIIKWCSRYLRSJJ-UHFFFAOYSA-N -1 1 371.412 3.351 20 30 FGEDMM COc1ccc(OC(F)F)c(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000832430539 601643391 /nfs/dbraw/zinc/64/33/91/601643391.db2.gz CKUNTLKHEPBIGI-INIZCTEOSA-N -1 1 362.332 3.084 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000825264024 604249803 /nfs/dbraw/zinc/24/98/03/604249803.db2.gz ILOHTCCIEAIUEY-WCQYABFASA-N -1 1 353.369 3.028 20 30 FGEDMM C#CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccccc1 ZINC000833360187 605133424 /nfs/dbraw/zinc/13/34/24/605133424.db2.gz GAPYRYSGDWDRLW-HNNXBMFYSA-N -1 1 356.447 3.356 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccc(C(F)(F)F)cc2)o1 ZINC000820292798 606201937 /nfs/dbraw/zinc/20/19/37/606201937.db2.gz HGKLXZQQZFDZAF-UHFFFAOYSA-N -1 1 365.319 3.212 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3ccccc3n2)o1 ZINC000819783517 606617072 /nfs/dbraw/zinc/61/70/72/606617072.db2.gz YTMONOWEXMWZBU-UHFFFAOYSA-N -1 1 362.397 3.362 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c(Cl)c2)o1 ZINC000824141687 607887445 /nfs/dbraw/zinc/88/74/45/607887445.db2.gz MCLQLAOIQMRVLG-UHFFFAOYSA-N -1 1 363.784 3.391 20 30 FGEDMM O=C(/C=C\c1c(C2CC2)nc2sccn12)c1ccc(-c2nn[n-]n2)s1 ZINC000826399727 608388059 /nfs/dbraw/zinc/38/80/59/608388059.db2.gz DJVOPEOMBXMXKG-ARJAWSKDSA-N -1 1 368.447 3.411 20 30 FGEDMM COc1ccc([C@H](C)CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000826188153 608534435 /nfs/dbraw/zinc/53/44/35/608534435.db2.gz OVIGNBLEUWXPGI-LLVKDONJSA-N -1 1 355.402 3.188 20 30 FGEDMM Cc1ccc(C(=O)O[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000023417102 695662020 /nfs/dbraw/zinc/66/20/20/695662020.db2.gz FIZRUEAKUIUVHZ-LBPRGKRZSA-N -1 1 362.382 3.004 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000321205274 713811611 /nfs/dbraw/zinc/81/16/11/713811611.db2.gz PLPRVJZHGZJEJZ-UHFFFAOYSA-N -1 1 350.783 3.339 20 30 FGEDMM C=CCOc1ccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1OC ZINC000617365558 714650127 /nfs/dbraw/zinc/65/01/27/714650127.db2.gz VKDSZISOPBTPKC-UHFFFAOYSA-N -1 1 355.419 3.386 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Cn3cncn3)c2)n1 ZINC000626355973 715892143 /nfs/dbraw/zinc/89/21/43/715892143.db2.gz LHRFXGWRUYUYDZ-OAHLLOKOSA-N -1 1 351.435 3.396 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)cc1 ZINC000650204248 718641130 /nfs/dbraw/zinc/64/11/30/718641130.db2.gz KKPOAPFWGMQHOG-UHFFFAOYSA-N -1 1 354.431 3.417 20 30 FGEDMM C=C[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000781580860 724576147 /nfs/dbraw/zinc/57/61/47/724576147.db2.gz GSTUBSHAJNUXFQ-LLVKDONJSA-N -1 1 367.373 3.497 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NOCc2ccc(F)cc2Br)c1 ZINC000781882085 724606449 /nfs/dbraw/zinc/60/64/49/724606449.db2.gz PPAAUVVDTAHTMB-UHFFFAOYSA-N -1 1 365.158 3.027 20 30 FGEDMM C=CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000729073209 722456851 /nfs/dbraw/zinc/45/68/51/722456851.db2.gz GOAPWCGLLYXJGX-UHFFFAOYSA-N -1 1 367.373 3.499 20 30 FGEDMM CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000729819255 722462910 /nfs/dbraw/zinc/46/29/10/722462910.db2.gz GVOUNJBZWGLDAW-FNORWQNLSA-N -1 1 351.811 3.313 20 30 FGEDMM CC(C)CC(Cc1cccc(Cl)c1)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731154577 722473642 /nfs/dbraw/zinc/47/36/42/722473642.db2.gz SHDNMJYZYHIKON-UHFFFAOYSA-N -1 1 358.833 3.142 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1 ZINC000748642834 722699902 /nfs/dbraw/zinc/69/99/02/722699902.db2.gz NDPWZUURTAUIDY-UHFFFAOYSA-N -1 1 352.415 3.356 20 30 FGEDMM CC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000753016862 722881779 /nfs/dbraw/zinc/88/17/79/722881779.db2.gz RFFHSQAJLOBGNA-UHFFFAOYSA-N -1 1 373.272 3.333 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=CC(C)(C)CCC#N ZINC000755599459 722954763 /nfs/dbraw/zinc/95/47/63/722954763.db2.gz SFXHTFMHNNEBHZ-UHFFFAOYSA-N -1 1 361.427 3.187 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000760701651 723083620 /nfs/dbraw/zinc/08/36/20/723083620.db2.gz GFWYJNGTRZLBDU-MRXNPFEDSA-N -1 1 365.216 3.424 20 30 FGEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])c(Br)c1O ZINC000761009091 723112165 /nfs/dbraw/zinc/11/21/65/723112165.db2.gz DWOVUUJUDYPACR-DJWKRKHSSA-N -1 1 365.179 3.471 20 30 FGEDMM CN1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)cc21 ZINC000763088029 723311107 /nfs/dbraw/zinc/31/11/07/723311107.db2.gz VYKCMBABWKHLQH-UHFFFAOYSA-N -1 1 361.854 3.395 20 30 FGEDMM Cc1nc([C@@H](C)n2ccc(C=N[O-])nc2=O)oc1-c1ccc(Cl)cc1 ZINC000763187288 723320464 /nfs/dbraw/zinc/32/04/64/723320464.db2.gz RJPONIAQOYFOBU-LLVKDONJSA-N -1 1 358.785 3.278 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000793392410 723433508 /nfs/dbraw/zinc/43/35/08/723433508.db2.gz LWNXBBDXIYGOBK-UHFFFAOYSA-N -1 1 358.444 3.418 20 30 FGEDMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000794018327 723484109 /nfs/dbraw/zinc/48/41/09/723484109.db2.gz LYCLJZOPMJZUQH-UHFFFAOYSA-N -1 1 353.806 3.218 20 30 FGEDMM CC(N=Nc1ncnc2c1cnn2C)c1cc(Cl)c(Cl)cc1[O-] ZINC000766012420 723551317 /nfs/dbraw/zinc/55/13/17/723551317.db2.gz XSLCLFFFFQZAHL-UHFFFAOYSA-N -1 1 351.197 3.212 20 30 FGEDMM C#CCCN(CC(F)(F)F)C(=O)c1cc(Br)ccc1[O-] ZINC000767205843 723610453 /nfs/dbraw/zinc/61/04/53/723610453.db2.gz LDFYYHSKWPBTGA-UHFFFAOYSA-N -1 1 350.134 3.183 20 30 FGEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795916948 723613811 /nfs/dbraw/zinc/61/38/11/723613811.db2.gz YHNXDFMGVSKQRV-SNVBAGLBSA-N -1 1 363.838 3.289 20 30 FGEDMM CC1(C)C(=NN=C2[N-]S(=O)(=O)c3ccccc32)C[C@@H]1c1ccccc1 ZINC000768481681 723658993 /nfs/dbraw/zinc/65/89/93/723658993.db2.gz FIUDXJZMSWIOCI-OAHLLOKOSA-N -1 1 353.447 3.295 20 30 FGEDMM CC(C)Sc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769808887 723696580 /nfs/dbraw/zinc/69/65/80/723696580.db2.gz PIGDHERENIDDTR-UHFFFAOYSA-N -1 1 356.455 3.406 20 30 FGEDMM COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1C#N ZINC000776490042 724150797 /nfs/dbraw/zinc/15/07/97/724150797.db2.gz DNFBCGCLCSLPDK-UHFFFAOYSA-N -1 1 350.296 3.221 20 30 FGEDMM Cc1nc(C)c(C(C)N=Nc2ccc(Br)cn2)cc1C(=O)[O-] ZINC000776728251 724174785 /nfs/dbraw/zinc/17/47/85/724174785.db2.gz ARFKAVBMHXUOOM-UHFFFAOYSA-N -1 1 363.215 3.390 20 30 FGEDMM N#Cc1ccc([O-])c(NC(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000800525090 724208760 /nfs/dbraw/zinc/20/87/60/724208760.db2.gz PWXMYQFIADYCAZ-UHFFFAOYSA-N -1 1 357.167 3.155 20 30 FGEDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000777678648 724250378 /nfs/dbraw/zinc/25/03/78/724250378.db2.gz VTCGRIZXDVLZBG-UHFFFAOYSA-N -1 1 365.798 3.191 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000788716144 725082859 /nfs/dbraw/zinc/08/28/59/725082859.db2.gz OXLQEUFDFBHFJF-UHFFFAOYSA-N -1 1 361.370 3.075 20 30 FGEDMM O=c1[nH]ccc2cc(NN=Cc3cc(O)c([O-])c(Br)c3)ccc12 ZINC000789070878 725106887 /nfs/dbraw/zinc/10/68/87/725106887.db2.gz NUHNPUGUNHTCFO-UHFFFAOYSA-N -1 1 374.194 3.148 20 30 FGEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1N1CCSCC1 ZINC000809646835 725255682 /nfs/dbraw/zinc/25/56/82/725255682.db2.gz IVHZEFQMYMVTEU-UHFFFAOYSA-N -1 1 353.447 3.378 20 30 FGEDMM C#CCO[N-]C(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000812786148 726810903 /nfs/dbraw/zinc/81/09/03/726810903.db2.gz AUQXRBCRJWNRAZ-UHFFFAOYSA-N -1 1 352.221 3.019 20 30 FGEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCC23CCCC3)cc1 ZINC000814822138 727003777 /nfs/dbraw/zinc/00/37/77/727003777.db2.gz HVWZSUFGQQYVJD-UHFFFAOYSA-N -1 1 351.428 3.115 20 30 FGEDMM CCc1ccc(C#CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000816496440 727168175 /nfs/dbraw/zinc/16/81/75/727168175.db2.gz KKGOUJNKDQPFSL-UHFFFAOYSA-N -1 1 358.235 3.385 20 30 FGEDMM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400446 729407923 /nfs/dbraw/zinc/40/79/23/729407923.db2.gz ZGUBZNQBCZIJJN-OWOJBTEDSA-N -1 1 358.810 3.413 20 30 FGEDMM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400446 729407924 /nfs/dbraw/zinc/40/79/24/729407924.db2.gz ZGUBZNQBCZIJJN-OWOJBTEDSA-N -1 1 358.810 3.413 20 30 FGEDMM CC[C@@H](NN=Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000841642529 730261452 /nfs/dbraw/zinc/26/14/52/730261452.db2.gz UOFIMMXPCQRTGH-CQSZACIVSA-N -1 1 368.275 3.226 20 30 FGEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2c(Cl)cnn2C)cc1 ZINC000850760994 731385777 /nfs/dbraw/zinc/38/57/77/731385777.db2.gz YZLDTUYQXYWKCS-AWEZNQCLSA-N -1 1 358.829 3.377 20 30 FGEDMM N#CC1([N-]C(=O)C(F)(F)c2ncccc2Br)CCCCC1 ZINC000906478942 744135917 /nfs/dbraw/zinc/13/59/17/744135917.db2.gz IVXWVYJQCLCKJR-UHFFFAOYSA-N -1 1 358.186 3.279 20 30 FGEDMM N#Cc1ccc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000916672129 758115410 /nfs/dbraw/zinc/11/54/10/758115410.db2.gz MOIDDXZYAKHCFW-UHFFFAOYSA-N -1 1 362.357 3.208 20 30 FGEDMM Cc1cnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)[n-]c1=O ZINC000577231982 505691971 /nfs/dbraw/zinc/69/19/71/505691971.db2.gz USROWGKVBUJIMW-UHFFFAOYSA-N -1 1 374.491 3.424 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC#N)cc2)cc1C ZINC000064346380 494116006 /nfs/dbraw/zinc/11/60/06/494116006.db2.gz UGALRUQKAPPZJI-HNNXBMFYSA-N -1 1 371.462 3.136 20 30 FGEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000064475187 494126555 /nfs/dbraw/zinc/12/65/55/494126555.db2.gz ZYSKZNOQFQYJKA-UHFFFAOYSA-N -1 1 363.826 3.361 20 30 FGEDMM N#CCCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000054138294 494198816 /nfs/dbraw/zinc/19/88/16/494198816.db2.gz AKHDWAAULFHGCF-UHFFFAOYSA-N -1 1 372.071 3.338 20 30 FGEDMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000065832873 494244534 /nfs/dbraw/zinc/24/45/34/494244534.db2.gz LLUXMAYFDQNLIW-UHFFFAOYSA-N -1 1 374.462 3.301 20 30 FGEDMM C=CCc1ccc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)c(OC)c1 ZINC000054666595 494257956 /nfs/dbraw/zinc/25/79/56/494257956.db2.gz YXVRSYPFWSFVQH-UHFFFAOYSA-N -1 1 374.462 3.076 20 30 FGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000055640029 494380037 /nfs/dbraw/zinc/38/00/37/494380037.db2.gz LWOGHQBEZAGRFM-UHFFFAOYSA-N -1 1 358.419 3.105 20 30 FGEDMM N#Cc1ccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000046042691 494490202 /nfs/dbraw/zinc/49/02/02/494490202.db2.gz CPGQARBQIGJRJD-UHFFFAOYSA-N -1 1 363.417 3.068 20 30 FGEDMM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCC1 ZINC000067508648 494555250 /nfs/dbraw/zinc/55/52/50/494555250.db2.gz LNOZFRRANDHFTF-UHFFFAOYSA-N -1 1 369.446 3.054 20 30 FGEDMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1(C#N)CCC1 ZINC000067684112 494609559 /nfs/dbraw/zinc/60/95/59/494609559.db2.gz WQTNWPAZOWHDLB-UHFFFAOYSA-N -1 1 369.446 3.006 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000057124051 494648782 /nfs/dbraw/zinc/64/87/82/494648782.db2.gz LIXTUWNGWCDFBE-UHFFFAOYSA-N -1 1 363.435 3.077 20 30 FGEDMM CCc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000121973628 494901561 /nfs/dbraw/zinc/90/15/61/494901561.db2.gz LDHIXSDUHDCENH-CQSZACIVSA-N -1 1 366.446 3.410 20 30 FGEDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000129077534 495192389 /nfs/dbraw/zinc/19/23/89/495192389.db2.gz GEQHUTLJHVVUPC-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000124087536 495232109 /nfs/dbraw/zinc/23/21/09/495232109.db2.gz KEOHLGWMLZMPDR-SECBINFHSA-N -1 1 370.352 3.024 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)CCC#N)c1 ZINC000105447081 495364692 /nfs/dbraw/zinc/36/46/92/495364692.db2.gz CIUWPPMXGACHLQ-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM C=CCCOCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000148503741 495584909 /nfs/dbraw/zinc/58/49/09/495584909.db2.gz WFXLFUCYBIXREU-UHFFFAOYSA-N -1 1 360.435 3.019 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000171004499 495684249 /nfs/dbraw/zinc/68/42/49/495684249.db2.gz IVIQUYLPMLKVFV-MRXNPFEDSA-N -1 1 371.462 3.136 20 30 FGEDMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000174052021 495803236 /nfs/dbraw/zinc/80/32/36/495803236.db2.gz QBGBTCCXMDUZBG-UHFFFAOYSA-N -1 1 372.446 3.243 20 30 FGEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000174056367 495803984 /nfs/dbraw/zinc/80/39/84/495803984.db2.gz DAQSGDHXWSEAHJ-UHFFFAOYSA-N -1 1 374.462 3.221 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000174736813 496083121 /nfs/dbraw/zinc/08/31/21/496083121.db2.gz DLRZSKUNUCLTPD-UHFFFAOYSA-N -1 1 363.414 3.329 20 30 FGEDMM CC[C@H](CC#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000183818789 496125495 /nfs/dbraw/zinc/12/54/95/496125495.db2.gz BDJSJDLSZNTNKA-CQSZACIVSA-N -1 1 373.359 3.345 20 30 FGEDMM CCOc1cc(C(=O)N(CCC#N)Cc2ccccn2)cc(Cl)c1[O-] ZINC000186781052 496147975 /nfs/dbraw/zinc/14/79/75/496147975.db2.gz FWGFNLUOWVACTR-UHFFFAOYSA-N -1 1 359.813 3.395 20 30 FGEDMM COc1cc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1OC ZINC000186988605 496241939 /nfs/dbraw/zinc/24/19/39/496241939.db2.gz HYKDSSKBRNNEHI-UHFFFAOYSA-N -1 1 370.789 3.169 20 30 FGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1OC ZINC000152769782 496251359 /nfs/dbraw/zinc/25/13/59/496251359.db2.gz HLPRBXQQBUCVNG-UHFFFAOYSA-N -1 1 366.826 3.338 20 30 FGEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187103765 496294522 /nfs/dbraw/zinc/29/45/22/496294522.db2.gz CZVYCLJIXULYHJ-LURJTMIESA-N -1 1 372.071 3.336 20 30 FGEDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2C1 ZINC000172591485 496355971 /nfs/dbraw/zinc/35/59/71/496355971.db2.gz OJVBTXYZRSTTHR-UHFFFAOYSA-N -1 1 355.463 3.393 20 30 FGEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)o1 ZINC000184921120 496585146 /nfs/dbraw/zinc/58/51/46/496585146.db2.gz KWFRNMQAOYXMBC-CQSZACIVSA-N -1 1 368.842 3.033 20 30 FGEDMM Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)n1 ZINC000184928847 496589428 /nfs/dbraw/zinc/58/94/28/496589428.db2.gz YWZKJWLHIPJJJH-CQSZACIVSA-N -1 1 367.883 3.406 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181980303 496622052 /nfs/dbraw/zinc/62/20/52/496622052.db2.gz ONQDCVAFLCTEIE-LLVKDONJSA-N -1 1 367.434 3.320 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000154146366 496695231 /nfs/dbraw/zinc/69/52/31/496695231.db2.gz WLLYMNCMLDGRGN-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188902444 496941280 /nfs/dbraw/zinc/94/12/80/496941280.db2.gz UALWHJRKJSSEHI-KRWDZBQOSA-N -1 1 352.390 3.077 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)cc1[O-] ZINC000332336552 498654042 /nfs/dbraw/zinc/65/40/42/498654042.db2.gz NZRWYUFMZMOGHB-LBPRGKRZSA-N -1 1 364.327 3.026 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)cc1[O-] ZINC000332456979 498694098 /nfs/dbraw/zinc/69/40/98/498694098.db2.gz OSVWFFLANLWNRS-UHFFFAOYSA-N -1 1 364.327 3.026 20 30 FGEDMM O=C([N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H](F)C(F)(F)F ZINC000290932541 498728264 /nfs/dbraw/zinc/72/82/64/498728264.db2.gz SGCFGGUAIYJGFS-BDAKNGLRSA-N -1 1 367.648 3.409 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1 ZINC000328097713 498867409 /nfs/dbraw/zinc/86/74/09/498867409.db2.gz WASHHDHDAHEGGB-UHFFFAOYSA-N -1 1 362.426 3.159 20 30 FGEDMM Cc1ccc2c([O-])c(C(=O)NC3CCN(c4nccs4)CC3)cnc2n1 ZINC000328784023 498938207 /nfs/dbraw/zinc/93/82/07/498938207.db2.gz KBFGBANZGQSTKZ-UHFFFAOYSA-N -1 1 369.450 3.074 20 30 FGEDMM Cc1ccc2c(n1)[n-]cc(C(=O)NC1CCN(c3nccs3)CC1)c2=O ZINC000328784023 498938210 /nfs/dbraw/zinc/93/82/10/498938210.db2.gz KBFGBANZGQSTKZ-UHFFFAOYSA-N -1 1 369.450 3.074 20 30 FGEDMM C=CCC(C)(C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000386564967 499549344 /nfs/dbraw/zinc/54/93/44/499549344.db2.gz WGLJBMAVQIPYAM-UHFFFAOYSA-N -1 1 359.207 3.329 20 30 FGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]c(C(=O)N3CCCC3)c2)s1 ZINC000430587851 500259038 /nfs/dbraw/zinc/25/90/38/500259038.db2.gz BAENESAYFNKWQX-CYBMUJFWSA-N -1 1 370.478 3.495 20 30 FGEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000432642445 500542581 /nfs/dbraw/zinc/54/25/81/500542581.db2.gz MDMNVNBDZROSEA-UHFFFAOYSA-N -1 1 372.450 3.117 20 30 FGEDMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443077489 500676277 /nfs/dbraw/zinc/67/62/77/500676277.db2.gz UWIXGMSPFUKXKZ-QGZVFWFLSA-N -1 1 360.417 3.227 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC000443295546 500705687 /nfs/dbraw/zinc/70/56/87/500705687.db2.gz OARYYTSFGKIKNW-KRWDZBQOSA-N -1 1 355.375 3.060 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(NC(C)=O)ccc2C)n1 ZINC000444460166 500849896 /nfs/dbraw/zinc/84/98/96/500849896.db2.gz YYCOGDUYUAIHEW-CQSZACIVSA-N -1 1 371.418 3.077 20 30 FGEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc([O-])cc3F)CC2)c(Cl)c1 ZINC000444524004 500855464 /nfs/dbraw/zinc/85/54/64/500855464.db2.gz MFVNAJQPNJOHES-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)ccc1Cl ZINC000434972718 500918341 /nfs/dbraw/zinc/91/83/41/500918341.db2.gz ISIVZMIJLQPAQL-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435755796 501023608 /nfs/dbraw/zinc/02/36/08/501023608.db2.gz MQEVAFRSAQPVHK-UHFFFAOYSA-N -1 1 374.462 3.221 20 30 FGEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1 ZINC000435760625 501023928 /nfs/dbraw/zinc/02/39/28/501023928.db2.gz OABIPXDLHMOLDB-UHFFFAOYSA-N -1 1 366.446 3.470 20 30 FGEDMM N#Cc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1OCC(F)(F)F ZINC000436624565 501172012 /nfs/dbraw/zinc/17/20/12/501172012.db2.gz LTIUKNCLLNSOKV-UHFFFAOYSA-N -1 1 352.268 3.163 20 30 FGEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)cc1 ZINC000451119241 501246904 /nfs/dbraw/zinc/24/69/04/501246904.db2.gz ZUYROKBARMEJHX-UHFFFAOYSA-N -1 1 360.435 3.083 20 30 FGEDMM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cn1 ZINC000478617714 502034797 /nfs/dbraw/zinc/03/47/97/502034797.db2.gz HERCWYORLSOULM-OAHLLOKOSA-N -1 1 362.437 3.388 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1-c1cnn(C)c1 ZINC000478692210 502058294 /nfs/dbraw/zinc/05/82/94/502058294.db2.gz BCIWIHHARFQSOH-UHFFFAOYSA-N -1 1 370.409 3.207 20 30 FGEDMM N#CCCN(CC1CC1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486230672 502092396 /nfs/dbraw/zinc/09/23/96/502092396.db2.gz TYUNVMRMKXCMQJ-UHFFFAOYSA-N -1 1 374.238 3.469 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)CNc2cccc(C#N)c2)c1 ZINC000482678131 502150134 /nfs/dbraw/zinc/15/01/34/502150134.db2.gz VPGPRNVSGWMWCB-UHFFFAOYSA-N -1 1 360.211 3.385 20 30 FGEDMM N#C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCc2ccccc2C1 ZINC000471951672 502181791 /nfs/dbraw/zinc/18/17/91/502181791.db2.gz KGJKEBJQJQGGAO-QGZVFWFLSA-N -1 1 364.829 3.209 20 30 FGEDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1)OCO2 ZINC000479250422 502205443 /nfs/dbraw/zinc/20/54/43/502205443.db2.gz RLOUEGNRGHQEPJ-UHFFFAOYSA-N -1 1 358.419 3.326 20 30 FGEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000472147599 502247569 /nfs/dbraw/zinc/24/75/69/502247569.db2.gz NZJNEFQNAUYLHN-SFHVURJKSA-N -1 1 361.449 3.462 20 30 FGEDMM C[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C1CCN(CC(F)(F)F)CC1 ZINC000596202352 506306474 /nfs/dbraw/zinc/30/64/74/506306474.db2.gz TYYZMCOJAULCRU-MRVPVSSYSA-N -1 1 352.813 3.165 20 30 FGEDMM C=CCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000469892448 502586638 /nfs/dbraw/zinc/58/66/38/502586638.db2.gz ZFNUXFYIVUESGW-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)C(F)(F)F ZINC000489716770 503017623 /nfs/dbraw/zinc/01/76/23/503017623.db2.gz BKEMLFPTAXAUDM-GFCCVEGCSA-N -1 1 352.353 3.343 20 30 FGEDMM N#Cc1cnn(-c2ccccc2NC(=O)c2cc3ccccc3cc2[O-])c1N ZINC000588836324 506351799 /nfs/dbraw/zinc/35/17/99/506351799.db2.gz RZQLCGDMZNTCLF-UHFFFAOYSA-N -1 1 369.384 3.437 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491602372 503322841 /nfs/dbraw/zinc/32/28/41/503322841.db2.gz UBZOQMRWBPPVBR-UHFFFAOYSA-N -1 1 374.422 3.316 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(Cl)cc1F ZINC000507630540 503335491 /nfs/dbraw/zinc/33/54/91/503335491.db2.gz QLBGXPZJDJJVCZ-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1C ZINC000507936408 503399862 /nfs/dbraw/zinc/39/98/62/503399862.db2.gz KCURHVOJIUSWJP-UHFFFAOYSA-N -1 1 358.419 3.039 20 30 FGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000540711989 503865045 /nfs/dbraw/zinc/86/50/45/503865045.db2.gz BYFFIXGTEVNLBU-UHFFFAOYSA-N -1 1 370.478 3.455 20 30 FGEDMM C[C@H](C#N)CN(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546930824 503929739 /nfs/dbraw/zinc/92/97/39/503929739.db2.gz VZIASDDBKCNNPK-CQSZACIVSA-N -1 1 372.450 3.111 20 30 FGEDMM C=CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000537932937 504086623 /nfs/dbraw/zinc/08/66/23/504086623.db2.gz DIPVMAYBFOQXCY-UHFFFAOYSA-N -1 1 356.447 3.278 20 30 FGEDMM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000548199363 504367818 /nfs/dbraw/zinc/36/78/18/504367818.db2.gz LOYVLYREKBQLRW-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000553881840 505031581 /nfs/dbraw/zinc/03/15/81/505031581.db2.gz QBUFIBOORDILQK-AULYBMBSSA-N -1 1 370.352 3.395 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000561505720 505363448 /nfs/dbraw/zinc/36/34/48/505363448.db2.gz MZCYTQVJIWDWRX-UHFFFAOYSA-N -1 1 356.325 3.138 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)cc1[O-] ZINC000567386519 505448336 /nfs/dbraw/zinc/44/83/36/505448336.db2.gz SJMSWMNWXDCSSS-UHFFFAOYSA-N -1 1 356.250 3.491 20 30 FGEDMM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589177486 506471543 /nfs/dbraw/zinc/47/15/43/506471543.db2.gz ALBROUBERCBKAO-CYBMUJFWSA-N -1 1 371.387 3.061 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589195016 506477545 /nfs/dbraw/zinc/47/75/45/506477545.db2.gz BRFCOKWQCHRDQM-MSOLQXFVSA-N -1 1 373.815 3.232 20 30 FGEDMM CCOc1cc(-c2noc(CC3(C#N)CCOCC3)n2)cc(Cl)c1[O-] ZINC000596595455 506481002 /nfs/dbraw/zinc/48/10/02/506481002.db2.gz RKXJJXPPMPPGIV-UHFFFAOYSA-N -1 1 363.801 3.357 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000589205722 506483669 /nfs/dbraw/zinc/48/36/69/506483669.db2.gz GTCZWAWBLPONAJ-GOSISDBHSA-N -1 1 350.422 3.383 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c2cccnc12 ZINC000603973358 506676554 /nfs/dbraw/zinc/67/65/54/506676554.db2.gz APNOEMDYCLDKNS-UHFFFAOYSA-N -1 1 353.403 3.110 20 30 FGEDMM COc1cc(-c2noc(CC3(C#N)CC3)n2)cc(Br)c1[O-] ZINC000590272952 506779685 /nfs/dbraw/zinc/77/96/85/506779685.db2.gz MSXIFADREXMUJP-UHFFFAOYSA-N -1 1 350.172 3.060 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)cc1Cl ZINC000609796099 507004714 /nfs/dbraw/zinc/00/47/14/507004714.db2.gz MNVCWAZQBHQYDY-UHFFFAOYSA-N -1 1 370.821 3.469 20 30 FGEDMM N#Cc1ccc(Oc2cccc(C(=O)NC3(c4nn[n-]n4)CCCC3)c2)cc1 ZINC000609836703 507019289 /nfs/dbraw/zinc/01/92/89/507019289.db2.gz LDMPJULQQDWVCK-UHFFFAOYSA-N -1 1 374.404 3.063 20 30 FGEDMM CC(C)([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(C)(F)F ZINC000594577790 507192827 /nfs/dbraw/zinc/19/28/27/507192827.db2.gz GYYHMXXGJSQHER-UHFFFAOYSA-N -1 1 367.215 3.033 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000610335975 507199645 /nfs/dbraw/zinc/19/96/45/507199645.db2.gz XLTXEDBVSNPPSA-UHFFFAOYSA-N -1 1 360.288 3.223 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591321234 507200325 /nfs/dbraw/zinc/20/03/25/507200325.db2.gz PEMNKGUTNVBVLF-INIZCTEOSA-N -1 1 358.438 3.380 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)[n-]c(=O)c1C1CC1 ZINC000601088455 507256442 /nfs/dbraw/zinc/25/64/42/507256442.db2.gz QZCYWNHZZJIOBO-LLVKDONJSA-N -1 1 354.435 3.359 20 30 FGEDMM Cc1nc(SCC(=O)N(CC#N)c2ccccc2)[n-]c(=O)c1C1CC1 ZINC000601087835 507257216 /nfs/dbraw/zinc/25/72/16/507257216.db2.gz IVUSPIUQGDKRHK-UHFFFAOYSA-N -1 1 354.435 3.017 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000614298088 507446116 /nfs/dbraw/zinc/44/61/16/507446116.db2.gz BXVMMUDGTJIOIV-KRWDZBQOSA-N -1 1 350.374 3.012 20 30 FGEDMM Cc1ccccc1C1(CNC(=O)c2cc([O-])cc(C#N)c2)CCOCC1 ZINC000614297832 507446295 /nfs/dbraw/zinc/44/62/95/507446295.db2.gz CVCKGYNEELVPIO-UHFFFAOYSA-N -1 1 350.418 3.051 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)c1 ZINC000614373880 507484431 /nfs/dbraw/zinc/48/44/31/507484431.db2.gz UKGOWBLZXSQHSL-OAHLLOKOSA-N -1 1 356.179 3.021 20 30 FGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000601964386 507532254 /nfs/dbraw/zinc/53/22/54/507532254.db2.gz ZJBOFIFLZNCGTK-UHFFFAOYSA-N -1 1 350.831 3.324 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000619461206 568321476 /nfs/dbraw/zinc/32/14/76/568321476.db2.gz VLHQFFRNNMNHCA-UHFFFAOYSA-N -1 1 351.225 3.316 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(-c3cccc(F)c3C)o2)o1 ZINC000737467444 598978191 /nfs/dbraw/zinc/97/81/91/598978191.db2.gz OZPDADIQOJWNQB-UHFFFAOYSA-N -1 1 367.344 3.317 20 30 FGEDMM C[C@H](C#N)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819856927 607323257 /nfs/dbraw/zinc/32/32/57/607323257.db2.gz MURHLEBMPAUARN-LLVKDONJSA-N -1 1 367.340 3.115 20 30 FGEDMM C[C@H](C#N)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819856927 607323258 /nfs/dbraw/zinc/32/32/58/607323258.db2.gz MURHLEBMPAUARN-LLVKDONJSA-N -1 1 367.340 3.115 20 30 FGEDMM Cc1cc(F)ccc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000735451223 598545728 /nfs/dbraw/zinc/54/57/28/598545728.db2.gz UVFNMBBIMNOUCZ-UHFFFAOYSA-N -1 1 357.393 3.337 20 30 FGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000739075422 599839622 /nfs/dbraw/zinc/83/96/22/599839622.db2.gz FOZMQDDRXYCCGR-UHFFFAOYSA-N -1 1 362.432 3.191 20 30 FGEDMM CCOc1cc2c(cc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000737195165 600591102 /nfs/dbraw/zinc/59/11/02/600591102.db2.gz RHOADBPLKKYFLP-RBZFPXEDSA-N -1 1 366.417 3.196 20 30 FGEDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC#Cc2ccccc2Cl)n1 ZINC000826324462 607544948 /nfs/dbraw/zinc/54/49/48/607544948.db2.gz RSEUTOQEVLVOMW-UHFFFAOYSA-N -1 1 356.842 3.071 20 30 FGEDMM C=C(C)COc1cc(CN2CCSC[C@@H]2CC(=O)[O-])ccc1OC ZINC000833369044 604659240 /nfs/dbraw/zinc/65/92/40/604659240.db2.gz AGQBOYJCXYKFQS-HNNXBMFYSA-N -1 1 351.468 3.042 20 30 FGEDMM CCCCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000821072855 606166116 /nfs/dbraw/zinc/16/61/16/606166116.db2.gz WHNZQZIQKHOPCP-GFCCVEGCSA-N -1 1 361.450 3.361 20 30 FGEDMM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)S2)c1 ZINC000822323631 606387243 /nfs/dbraw/zinc/38/72/43/606387243.db2.gz LHGWKCIAJBAYOU-JYRVWZFOSA-N -1 1 368.447 3.128 20 30 FGEDMM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)c2c1 ZINC000821845175 606392046 /nfs/dbraw/zinc/39/20/46/606392046.db2.gz CFPDAHVRFSRBHO-UTCJRWHESA-N -1 1 351.391 3.314 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(Cl)cc32)o1 ZINC000824352759 608094716 /nfs/dbraw/zinc/09/47/16/608094716.db2.gz LXBIVYGNLZNMCC-UHFFFAOYSA-N -1 1 357.805 3.394 20 30 FGEDMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C#N)c(Cl)c1 ZINC000825379239 608345625 /nfs/dbraw/zinc/34/56/25/608345625.db2.gz DDRMJFIOBCESCY-UHFFFAOYSA-N -1 1 358.814 3.120 20 30 FGEDMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C#N)c(Cl)c1 ZINC000825379239 608345627 /nfs/dbraw/zinc/34/56/27/608345627.db2.gz DDRMJFIOBCESCY-UHFFFAOYSA-N -1 1 358.814 3.120 20 30 FGEDMM C=CCn1c(Cc2csc(NC(=O)c3cccnc3C)n2)n[n-]c1=S ZINC000108447515 700525989 /nfs/dbraw/zinc/52/59/89/700525989.db2.gz COHZEBDKXXNUNW-UHFFFAOYSA-N -1 1 372.479 3.130 20 30 FGEDMM CC(C)[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000121558017 700675448 /nfs/dbraw/zinc/67/54/48/700675448.db2.gz UBBJKSPWGHZCJF-KRWDZBQOSA-N -1 1 358.419 3.192 20 30 FGEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000122187846 700685739 /nfs/dbraw/zinc/68/57/39/700685739.db2.gz NXTQGLFBSBBXFQ-ORCRQEGFSA-N -1 1 359.179 3.220 20 30 FGEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000130644636 700804449 /nfs/dbraw/zinc/80/44/49/700804449.db2.gz QUWMJZHJMMTWPU-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM C=C[C@@H]1OCC[C@H]1c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000573178122 714449834 /nfs/dbraw/zinc/44/98/34/714449834.db2.gz MUBOQAVRRNEXHI-KOLCDFICSA-N -1 1 367.199 3.272 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000619461913 714838346 /nfs/dbraw/zinc/83/83/46/714838346.db2.gz CVLAACGZFMOZNM-UHFFFAOYSA-N -1 1 356.325 3.294 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C#N ZINC000619463584 714839309 /nfs/dbraw/zinc/83/93/09/714839309.db2.gz YASAXSITXRMVNX-UHFFFAOYSA-N -1 1 355.419 3.212 20 30 FGEDMM Cc1cccnc1N=NCc1cc(Br)ccc1OCC(=O)[O-] ZINC000790192971 723112524 /nfs/dbraw/zinc/11/25/24/723112524.db2.gz LWJQLYVBHURXKV-UHFFFAOYSA-N -1 1 364.199 3.062 20 30 FGEDMM CC(N=Nc1nc2ccccn2n1)c1cc(Br)c(F)cc1[O-] ZINC000790196244 723112546 /nfs/dbraw/zinc/11/25/46/723112546.db2.gz XUTUYUNZAFOBLN-UHFFFAOYSA-N -1 1 364.178 3.173 20 30 FGEDMM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000726733221 722437386 /nfs/dbraw/zinc/43/73/86/722437386.db2.gz SJAFIUYSLBQGGJ-HNNXBMFYSA-N -1 1 352.781 3.486 20 30 FGEDMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000728016993 722449516 /nfs/dbraw/zinc/44/95/16/722449516.db2.gz CWKVUVDRJLEOGH-UHFFFAOYSA-N -1 1 361.854 3.395 20 30 FGEDMM O=C([O-])COc1ccccc1CN=Nc1ccc(Br)cc1F ZINC000728433166 722451687 /nfs/dbraw/zinc/45/16/87/722451687.db2.gz VJTYCNLUFYSAEK-UHFFFAOYSA-N -1 1 367.174 3.498 20 30 FGEDMM Cc1cccc2c1NC(=O)C2=NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000732925524 722490478 /nfs/dbraw/zinc/49/04/78/722490478.db2.gz NHNKDTYYOMQLQC-UHFFFAOYSA-N -1 1 353.769 3.467 20 30 FGEDMM Cc1cccc2c1NC(=O)C2=NN=c1nc(-c2ccc(Cl)cc2)[n-]o1 ZINC000732925524 722490479 /nfs/dbraw/zinc/49/04/79/722490479.db2.gz NHNKDTYYOMQLQC-UHFFFAOYSA-N -1 1 353.769 3.467 20 30 FGEDMM Cc1ccc2c(c1)C(=NN=c1[n-]c(-c3ccc(Cl)cc3)no1)C(=O)N2 ZINC000732925704 722490526 /nfs/dbraw/zinc/49/05/26/722490526.db2.gz OTGGPGNIKVWTDE-UHFFFAOYSA-N -1 1 353.769 3.467 20 30 FGEDMM Cc1ccc2c(c1)C(=NN=c1nc(-c3ccc(Cl)cc3)[n-]o1)C(=O)N2 ZINC000732925704 722490527 /nfs/dbraw/zinc/49/05/27/722490527.db2.gz OTGGPGNIKVWTDE-UHFFFAOYSA-N -1 1 353.769 3.467 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000741162531 722543191 /nfs/dbraw/zinc/54/31/91/722543191.db2.gz GAUHIGXTVXLZNQ-CQSZACIVSA-N -1 1 357.410 3.188 20 30 FGEDMM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1scnc1C ZINC000744029442 722572985 /nfs/dbraw/zinc/57/29/85/722572985.db2.gz SQFCQTYCUAUBMI-SNVBAGLBSA-N -1 1 363.826 3.383 20 30 FGEDMM Cc1ccc(C2CC(=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000748254594 722681849 /nfs/dbraw/zinc/68/18/49/722681849.db2.gz CPUCPMJVJCIQEI-UHFFFAOYSA-N -1 1 359.407 3.115 20 30 FGEDMM CCC1(C)CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000751525954 722811653 /nfs/dbraw/zinc/81/16/53/722811653.db2.gz KIIMXCWPUMJCRS-UHFFFAOYSA-N -1 1 353.444 3.361 20 30 FGEDMM O=S(=O)(Cc1ccccc1)[N-]N=C(Cc1ccccc1)C(F)(F)F ZINC000760254784 723045092 /nfs/dbraw/zinc/04/50/92/723045092.db2.gz VDMCUEFCMJYFQQ-UHFFFAOYSA-N -1 1 356.369 3.267 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1F ZINC000793399996 723434225 /nfs/dbraw/zinc/43/42/25/723434225.db2.gz GQJIXUJSSQQCBG-UHFFFAOYSA-N -1 1 368.802 3.156 20 30 FGEDMM O=C1Nc2cc(Br)ccc2C1=N[N-]c1ncnc2ccsc21 ZINC000764842322 723452040 /nfs/dbraw/zinc/45/20/40/723452040.db2.gz YUKDJBVIPPZPAE-UHFFFAOYSA-N -1 1 374.223 3.222 20 30 FGEDMM CC[C@H]1C[C@@H](C)CCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000769573315 723690051 /nfs/dbraw/zinc/69/00/51/723690051.db2.gz BRBTXBNUXTULDZ-JSGCOSHPSA-N -1 1 353.444 3.216 20 30 FGEDMM CCSc1cccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000769788919 723695302 /nfs/dbraw/zinc/69/53/02/723695302.db2.gz DEHMKTCXDHDOSD-UHFFFAOYSA-N -1 1 365.436 3.019 20 30 FGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776380448 724138897 /nfs/dbraw/zinc/13/88/97/724138897.db2.gz ZNEYIPPCBVVUNZ-INIZCTEOSA-N -1 1 350.440 3.077 20 30 FGEDMM C=CCCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000800591040 724217645 /nfs/dbraw/zinc/21/76/45/724217645.db2.gz AAXFPJYTQAQHMM-UHFFFAOYSA-N -1 1 360.435 3.135 20 30 FGEDMM COc1ccc(C#N)cc1COC(=O)c1ccc(Br)c([O-])c1 ZINC000778829361 724366655 /nfs/dbraw/zinc/36/66/55/724366655.db2.gz VAFMAXJBEFFTKJ-UHFFFAOYSA-N -1 1 362.179 3.392 20 30 FGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000809752646 725265029 /nfs/dbraw/zinc/26/50/29/725265029.db2.gz UBJYYBXEJQGLCR-FVMDXXJSSA-N -1 1 365.216 3.423 20 30 FGEDMM C=CCSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809811077 725270027 /nfs/dbraw/zinc/27/00/27/725270027.db2.gz BWYIKMQOOZOGRL-UHFFFAOYSA-N -1 1 371.267 3.099 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000810099718 725288647 /nfs/dbraw/zinc/28/86/47/725288647.db2.gz NERXXSJGTZXLOM-HNNXBMFYSA-N -1 1 366.776 3.143 20 30 FGEDMM Cc1c(C=NNc2nc3[nH][n-]cc-3c(=O)n2)sc2c1cccc2Cl ZINC000814842893 727005250 /nfs/dbraw/zinc/00/52/50/727005250.db2.gz HOWCSAFFUUPSTC-UHFFFAOYSA-N -1 1 358.814 3.055 20 30 FGEDMM COc1cccc(S(C)(=O)=O)c1NN=Cc1cc(Cl)c(F)cc1[O-] ZINC000814905800 727009953 /nfs/dbraw/zinc/00/99/53/727009953.db2.gz SRNOBYJOCYFTPU-UHFFFAOYSA-N -1 1 372.805 3.043 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829880616 729519715 /nfs/dbraw/zinc/51/97/15/729519715.db2.gz QJLUGFKBHXBDOH-UHFFFAOYSA-N -1 1 357.435 3.332 20 30 FGEDMM C=CCCSCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000852487484 731591763 /nfs/dbraw/zinc/59/17/63/731591763.db2.gz IFFQNVBKNBHLPL-UHFFFAOYSA-N -1 1 359.289 3.263 20 30 FGEDMM N#Cc1sc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)nc1Cl ZINC000866125686 733314392 /nfs/dbraw/zinc/31/43/92/733314392.db2.gz NMXFZZCNBQELFE-UHFFFAOYSA-N -1 1 369.277 3.349 20 30 FGEDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1F ZINC000872007969 735573705 /nfs/dbraw/zinc/57/37/05/735573705.db2.gz BSDKJGQNOPXODN-UHFFFAOYSA-N -1 1 368.409 3.107 20 30 FGEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000882712922 737481548 /nfs/dbraw/zinc/48/15/48/737481548.db2.gz SNWWUBKEQMYPGL-CDHAZOANSA-N -1 1 360.410 3.414 20 30 FGEDMM O=C1C=COC2(CCN(Cc3cc(Br)cc(F)c3[O-])CC2)C1 ZINC000897599400 742694329 /nfs/dbraw/zinc/69/43/29/742694329.db2.gz JOPOXIJEGGIJPG-UHFFFAOYSA-N -1 1 370.218 3.132 20 30 FGEDMM Cc1nc(NC2CCN(Cc3cccc(C#N)c3)CC2)sc1C(=O)[O-] ZINC000900962566 743206538 /nfs/dbraw/zinc/20/65/38/743206538.db2.gz SAUCLICCGGMWEE-UHFFFAOYSA-N -1 1 356.451 3.098 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Br ZINC000016129531 206319399 /nfs/dbraw/zinc/31/93/99/206319399.db2.gz KOBYMURLTOIMNQ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000029967205 493870971 /nfs/dbraw/zinc/87/09/71/493870971.db2.gz WNLNDMWLKKUURG-UHFFFAOYSA-N -1 1 365.798 3.424 20 30 FGEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1OC ZINC000055631760 494376789 /nfs/dbraw/zinc/37/67/89/494376789.db2.gz UHWFYBXRGPTFQE-UHFFFAOYSA-N -1 1 366.826 3.420 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OCc2ccncc2)cc1 ZINC000045896765 494474346 /nfs/dbraw/zinc/47/43/46/494474346.db2.gz AFTWVWGGCKUFHD-UHFFFAOYSA-N -1 1 363.299 3.434 20 30 FGEDMM Cc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000079643840 494499667 /nfs/dbraw/zinc/49/96/67/494499667.db2.gz QWLPOEJBUNMYFG-LBPRGKRZSA-N -1 1 364.430 3.057 20 30 FGEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000568606271 505735367 /nfs/dbraw/zinc/73/53/67/505735367.db2.gz CAZAYBZBVKPHCO-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM N#C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCc2ccccc2C1 ZINC000577516397 505743185 /nfs/dbraw/zinc/74/31/85/505743185.db2.gz YCQMPRYNGWJMLH-QGZVFWFLSA-N -1 1 364.829 3.209 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000134082468 495103305 /nfs/dbraw/zinc/10/33/05/495103305.db2.gz BVIBKHTVJKYHMT-OALUTQOASA-N -1 1 372.446 3.041 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)o1 ZINC000119863394 495257151 /nfs/dbraw/zinc/25/71/51/495257151.db2.gz BFVLPZRTHHFWCI-MBVDDHJVSA-N -1 1 350.317 3.133 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000114673347 495406701 /nfs/dbraw/zinc/40/67/01/495406701.db2.gz MVAHPQGHRKRTAQ-UHFFFAOYSA-N -1 1 372.450 3.197 20 30 FGEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673522 495407545 /nfs/dbraw/zinc/40/75/45/495407545.db2.gz HZXPWWRLWQYWTG-UHFFFAOYSA-N -1 1 369.446 3.324 20 30 FGEDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2C1 ZINC000114674020 495407842 /nfs/dbraw/zinc/40/78/42/495407842.db2.gz SQSWDJPJLUPJCK-UHFFFAOYSA-N -1 1 355.463 3.393 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000154186748 495538571 /nfs/dbraw/zinc/53/85/71/495538571.db2.gz DTGBMNNCPUJCIJ-CQSZACIVSA-N -1 1 374.462 3.190 20 30 FGEDMM CC[C@@H](CC#N)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000158706727 495572133 /nfs/dbraw/zinc/57/21/33/495572133.db2.gz GWXYVLVMPGMWJN-AWEZNQCLSA-N -1 1 372.450 3.301 20 30 FGEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000152773232 496252908 /nfs/dbraw/zinc/25/29/08/496252908.db2.gz PHPWEBCRTFJKOW-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM COc1ccc([O-])c(C(=O)/C=C/c2csc(N(C(C)=O)C3CC3)n2)c1 ZINC000156691623 496312211 /nfs/dbraw/zinc/31/22/11/496312211.db2.gz NNLYGIXMPZNCGF-XVNBXDOJSA-N -1 1 358.419 3.269 20 30 FGEDMM N#CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000187315925 496391039 /nfs/dbraw/zinc/39/10/39/496391039.db2.gz BOJFAIRQCJGCGY-UHFFFAOYSA-N -1 1 367.789 3.132 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3cccc(C)c3C)nc(=O)c2c1C ZINC000153566188 496500342 /nfs/dbraw/zinc/50/03/42/496500342.db2.gz IHAJPCIZLLCGKJ-CYBMUJFWSA-N -1 1 366.446 3.464 20 30 FGEDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000178804149 496578330 /nfs/dbraw/zinc/57/83/30/496578330.db2.gz KQJVLQDEMAEUBO-UHFFFAOYSA-N -1 1 360.435 3.293 20 30 FGEDMM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000187957456 496631630 /nfs/dbraw/zinc/63/16/30/496631630.db2.gz ZQOCVKKZVXNDRI-AWEZNQCLSA-N -1 1 369.852 3.482 20 30 FGEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000173355635 496657096 /nfs/dbraw/zinc/65/70/96/496657096.db2.gz XTNQGUOXMNCRNI-OAHLLOKOSA-N -1 1 368.842 3.033 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCc3cccc(Br)c3C2)cc1[O-] ZINC000188437719 496790198 /nfs/dbraw/zinc/79/01/98/496790198.db2.gz SMANVFJRJSEXBC-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000188619303 496853715 /nfs/dbraw/zinc/85/37/15/496853715.db2.gz FPRBXWLFLHHVLY-SNVBAGLBSA-N -1 1 368.780 3.458 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1[O-] ZINC000189222107 497050752 /nfs/dbraw/zinc/05/07/52/497050752.db2.gz YXQMYDQTRFXPCN-KRWDZBQOSA-N -1 1 360.772 3.270 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1C#N ZINC000235892537 497114783 /nfs/dbraw/zinc/11/47/83/497114783.db2.gz GOJMBDQUYAJIQC-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000249121990 497171128 /nfs/dbraw/zinc/17/11/28/497171128.db2.gz UFPMSDCHRFUBBT-SJLPKXTDSA-N -1 1 355.825 3.092 20 30 FGEDMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000190087416 497352375 /nfs/dbraw/zinc/35/23/75/497352375.db2.gz KXGNMJXIGDGREK-AWEZNQCLSA-N -1 1 369.852 3.436 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1[O-] ZINC000190481913 497498577 /nfs/dbraw/zinc/49/85/77/497498577.db2.gz XXFSTHOCECXTIY-UHFFFAOYSA-N -1 1 373.815 3.014 20 30 FGEDMM CC#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000572199256 505912819 /nfs/dbraw/zinc/91/28/19/505912819.db2.gz LXJLKSFUAIPDFO-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM CCc1ccc([C@@H](C#N)NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000290191213 498458040 /nfs/dbraw/zinc/45/80/40/498458040.db2.gz MNKYAVJJIKRAEM-MRXNPFEDSA-N -1 1 370.478 3.089 20 30 FGEDMM C=CCn1c(COCC)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000581694639 506046054 /nfs/dbraw/zinc/04/60/54/506046054.db2.gz ABPHMGOZIOYDAT-GUYCJALGSA-N -1 1 364.877 3.264 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Br ZINC000312799198 498763073 /nfs/dbraw/zinc/76/30/73/498763073.db2.gz QMVLHOIMLXZHJD-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CCc4cnn(C(C)C)c4C3)cnc2n1 ZINC000329528491 499129235 /nfs/dbraw/zinc/12/92/35/499129235.db2.gz SRVWOAMXGBZQAS-CQSZACIVSA-N -1 1 365.437 3.283 20 30 FGEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H]1CCc3cnn(C(C)C)c3C1)c2=O ZINC000329528491 499129236 /nfs/dbraw/zinc/12/92/36/499129236.db2.gz SRVWOAMXGBZQAS-CQSZACIVSA-N -1 1 365.437 3.283 20 30 FGEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000410413854 499661096 /nfs/dbraw/zinc/66/10/96/499661096.db2.gz NULOFAYGEFYHJO-UHFFFAOYSA-N -1 1 366.446 3.262 20 30 FGEDMM C[C@H]1Cc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(C#N)c2[C@@H](C)C1 ZINC000411025253 499690941 /nfs/dbraw/zinc/69/09/41/499690941.db2.gz ZZOGXYMXVAJEMS-BDAKNGLRSA-N -1 1 359.411 3.200 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1F ZINC000427108578 500354343 /nfs/dbraw/zinc/35/43/43/500354343.db2.gz RBGDLSLMBIAJDD-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OC(F)F ZINC000427205818 500366854 /nfs/dbraw/zinc/36/68/54/500366854.db2.gz XIYCIXKBXCLBSJ-UHFFFAOYSA-N -1 1 356.325 3.408 20 30 FGEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000447879220 500684261 /nfs/dbraw/zinc/68/42/61/500684261.db2.gz PEAPUUDPKNRUDZ-VIFPVBQESA-N -1 1 353.259 3.464 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000443357697 500715001 /nfs/dbraw/zinc/71/50/01/500715001.db2.gz LMIAQEKHKVCYME-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1C(F)(F)F ZINC000443401489 500718646 /nfs/dbraw/zinc/71/86/46/500718646.db2.gz UMCAKKHMJXVLEE-UHFFFAOYSA-N -1 1 368.336 3.313 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000443414243 500721448 /nfs/dbraw/zinc/72/14/48/500721448.db2.gz HUBDAZMRAHDVCT-UHFFFAOYSA-N -1 1 370.474 3.498 20 30 FGEDMM N#CCCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433665217 500727654 /nfs/dbraw/zinc/72/76/54/500727654.db2.gz UMSWASZRVYEVOG-UHFFFAOYSA-N -1 1 357.682 3.136 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)s1 ZINC000435482753 500984608 /nfs/dbraw/zinc/98/46/08/500984608.db2.gz IHQRXLQTNOBRPJ-CQSZACIVSA-N -1 1 374.447 3.148 20 30 FGEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000435590036 500996848 /nfs/dbraw/zinc/99/68/48/500996848.db2.gz UKERNZOMGSABSK-XPTSAGLGSA-N -1 1 368.257 3.392 20 30 FGEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)nc1 ZINC000436873288 501224797 /nfs/dbraw/zinc/22/47/97/501224797.db2.gz VUTNOHUVRJFUOR-INIZCTEOSA-N -1 1 359.385 3.106 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(Cl)c3)C2)o1 ZINC000452088338 501433014 /nfs/dbraw/zinc/43/30/14/501433014.db2.gz NZERXCKYTNDWKZ-JSGCOSHPSA-N -1 1 350.827 3.419 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)cc1[O-] ZINC000477995729 501849049 /nfs/dbraw/zinc/84/90/49/501849049.db2.gz UXCWHQMITZDONP-GHMZBOCLSA-N -1 1 363.236 3.374 20 30 FGEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc12 ZINC000461346605 502077462 /nfs/dbraw/zinc/07/74/62/502077462.db2.gz ZQMVJSFXNUQDRC-UHFFFAOYSA-N -1 1 360.826 3.208 20 30 FGEDMM C=CCSc1ccccc1C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000487161416 502377469 /nfs/dbraw/zinc/37/74/69/502377469.db2.gz GNMBZUSUHYNMOB-UHFFFAOYSA-N -1 1 368.462 3.260 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)cc1 ZINC000476078721 502378331 /nfs/dbraw/zinc/37/83/31/502378331.db2.gz KQKVBRRKOBDIDS-UHFFFAOYSA-N -1 1 360.345 3.027 20 30 FGEDMM CC#CCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000476502537 502507363 /nfs/dbraw/zinc/50/73/63/502507363.db2.gz FIRHVNKJEJQPPU-UHFFFAOYSA-N -1 1 371.083 3.448 20 30 FGEDMM N#C[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1cccc(Cl)c1Cl ZINC000476512552 502510640 /nfs/dbraw/zinc/51/06/40/502510640.db2.gz NSIHQARCTUZELT-LLVKDONJSA-N -1 1 367.261 3.441 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000509384981 502889959 /nfs/dbraw/zinc/88/99/59/502889959.db2.gz NJXRXJQLDBEMTL-UHFFFAOYSA-N -1 1 370.352 3.495 20 30 FGEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494633623 503579459 /nfs/dbraw/zinc/57/94/59/503579459.db2.gz OKTAAYHQMLVMHJ-UHFFFAOYSA-N -1 1 356.325 3.300 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(COC)c(C#N)c2)cc1C ZINC000530145739 503854179 /nfs/dbraw/zinc/85/41/79/503854179.db2.gz UTJLMRGBPLPHLN-UHFFFAOYSA-N -1 1 360.435 3.213 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)n[nH]c1-c1ccccc1 ZINC000534064083 504030494 /nfs/dbraw/zinc/03/04/94/504030494.db2.gz IGSVNLMAUMBCKV-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)[n-]c(=O)c1C ZINC000539616838 504628798 /nfs/dbraw/zinc/62/87/98/504628798.db2.gz LCFWEWWKSFHPBG-CQSZACIVSA-N -1 1 356.451 3.227 20 30 FGEDMM O=S(=O)([N-]CCCC(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC000553500584 504932781 /nfs/dbraw/zinc/93/27/81/504932781.db2.gz YHSLPAOQCFOLFD-UHFFFAOYSA-N -1 1 369.258 3.345 20 30 FGEDMM Cc1ccccc1O[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553535983 504943316 /nfs/dbraw/zinc/94/33/16/504943316.db2.gz BIMIOJMECKKJBD-RDJZCZTQSA-N -1 1 360.435 3.128 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000593188181 506453178 /nfs/dbraw/zinc/45/31/78/506453178.db2.gz YCUGVKLBZUROAL-UHFFFAOYSA-N -1 1 358.419 3.060 20 30 FGEDMM Cc1cc(-c2noc([C@H](C)NC(=O)c3cc([O-])cc(C#N)c3)n2)ccc1F ZINC000589189598 506477593 /nfs/dbraw/zinc/47/75/93/506477593.db2.gz JZBFZXPAKBPURJ-NSHDSACASA-N -1 1 366.352 3.252 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589195958 506480128 /nfs/dbraw/zinc/48/01/28/506480128.db2.gz QEFUTLDRQQNVNG-MSOLQXFVSA-N -1 1 355.825 3.092 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1Cl ZINC000583295616 506701310 /nfs/dbraw/zinc/70/13/10/506701310.db2.gz PGNBVUOAUHGAIS-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM CCN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000608877973 506734911 /nfs/dbraw/zinc/73/49/11/506734911.db2.gz GGCKRTBFUBBWIT-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM CC(C)c1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c([O-])c1 ZINC000590545006 506856103 /nfs/dbraw/zinc/85/61/03/506856103.db2.gz ZIIZYGNPPBQVKO-UHFFFAOYSA-N -1 1 361.405 3.407 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1 ZINC000609637374 506957344 /nfs/dbraw/zinc/95/73/44/506957344.db2.gz UKGRYRPZEJSLOP-UHFFFAOYSA-N -1 1 373.437 3.462 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)cc1[O-] ZINC000600493196 506972144 /nfs/dbraw/zinc/97/21/44/506972144.db2.gz GBRYYJITIWCGJE-UHFFFAOYSA-N -1 1 366.421 3.009 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000597852450 507134602 /nfs/dbraw/zinc/13/46/02/507134602.db2.gz NQQYDIAFTYHGKQ-LJQANCHMSA-N -1 1 350.418 3.288 20 30 FGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000591223512 507159511 /nfs/dbraw/zinc/15/95/11/507159511.db2.gz WCCCGVXIUSJWNL-UHFFFAOYSA-N -1 1 351.406 3.069 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)[n-]c(=O)c1C1CC1 ZINC000601088715 507256229 /nfs/dbraw/zinc/25/62/29/507256229.db2.gz ZDUOCHDNGVNIOX-NSHDSACASA-N -1 1 354.435 3.359 20 30 FGEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594752899 507268679 /nfs/dbraw/zinc/26/86/79/507268679.db2.gz VJYJHPOWCUGAJQ-ZCFIWIBFSA-N -1 1 372.071 3.336 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000610511117 507272012 /nfs/dbraw/zinc/27/20/12/507272012.db2.gz CQCGINMVRKRRNQ-NWDGAFQWSA-N -1 1 364.364 3.344 20 30 FGEDMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)[C@@H](C)C#N ZINC000598346227 507386271 /nfs/dbraw/zinc/38/62/71/507386271.db2.gz GJDAFHJZRXPDFS-HNNXBMFYSA-N -1 1 371.462 3.170 20 30 FGEDMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)[C@H](C)C#N ZINC000598347666 507387939 /nfs/dbraw/zinc/38/79/39/507387939.db2.gz XDMZLSVDBBQBJG-OAHLLOKOSA-N -1 1 371.462 3.170 20 30 FGEDMM CC(C)(CCC#N)CNC(=O)c1ccc(I)c([O-])c1 ZINC000584550453 507405516 /nfs/dbraw/zinc/40/55/16/507405516.db2.gz RADSXKDLSWNONJ-UHFFFAOYSA-N -1 1 372.206 3.057 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)c1 ZINC000614297122 507445581 /nfs/dbraw/zinc/44/55/81/507445581.db2.gz PHVLQKCXCMHXEE-UHFFFAOYSA-N -1 1 350.296 3.091 20 30 FGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000614300827 507446311 /nfs/dbraw/zinc/44/63/11/507446311.db2.gz WJKXROJKYRWITJ-JTQLQIEISA-N -1 1 368.780 3.458 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000587988156 507724278 /nfs/dbraw/zinc/72/42/78/507724278.db2.gz LDQAHNQXQGSLCL-MRXNPFEDSA-N -1 1 365.216 3.424 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cnc3ccsc3c2)o1 ZINC000735450853 598824108 /nfs/dbraw/zinc/82/41/08/598824108.db2.gz GHUSFEKMGXUSTQ-UHFFFAOYSA-N -1 1 368.426 3.424 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(-c3ccc(C)cc3)s2)o1 ZINC000737287094 598977923 /nfs/dbraw/zinc/97/79/23/598977923.db2.gz CMEXXWNLQYBLAF-UHFFFAOYSA-N -1 1 366.410 3.041 20 30 FGEDMM Cc1ccc2c(c1C)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CCO2 ZINC000737379593 599534861 /nfs/dbraw/zinc/53/48/61/599534861.db2.gz ZRNBBTNFLJAMLV-UHFFFAOYSA-N -1 1 367.413 3.194 20 30 FGEDMM N#CC(C(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000831065104 604215347 /nfs/dbraw/zinc/21/53/47/604215347.db2.gz OZXMUHLPCCAHPS-IAGOWNOFSA-N -1 1 359.385 3.462 20 30 FGEDMM N#CCCCOc1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822806464 606459333 /nfs/dbraw/zinc/45/93/33/606459333.db2.gz NQILBYDMBVUUAC-UHFFFAOYSA-N -1 1 355.789 3.341 20 30 FGEDMM N#CCCCOc1cccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822806464 606459334 /nfs/dbraw/zinc/45/93/34/606459334.db2.gz NQILBYDMBVUUAC-UHFFFAOYSA-N -1 1 355.789 3.341 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000820842031 606613832 /nfs/dbraw/zinc/61/38/32/606613832.db2.gz IPDWLMAXTPEMCO-LBPRGKRZSA-N -1 1 367.340 3.257 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000820842031 606613834 /nfs/dbraw/zinc/61/38/34/606613834.db2.gz IPDWLMAXTPEMCO-LBPRGKRZSA-N -1 1 367.340 3.257 20 30 FGEDMM Cc1ccc2c(c1)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CCC2 ZINC000826294028 607816115 /nfs/dbraw/zinc/81/61/15/607816115.db2.gz HIVYPWOXPSOKJO-UHFFFAOYSA-N -1 1 351.414 3.439 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403294 608092385 /nfs/dbraw/zinc/09/23/85/608092385.db2.gz OIACICSKSWZNMX-SREVYHEPSA-N -1 1 360.402 3.281 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403294 608092386 /nfs/dbraw/zinc/09/23/86/608092386.db2.gz OIACICSKSWZNMX-SREVYHEPSA-N -1 1 360.402 3.281 20 30 FGEDMM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000826400340 608093024 /nfs/dbraw/zinc/09/30/24/608093024.db2.gz WGWQUIWHSPEZRZ-RJRFIUFISA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000826400340 608093025 /nfs/dbraw/zinc/09/30/25/608093025.db2.gz WGWQUIWHSPEZRZ-RJRFIUFISA-N -1 1 361.770 3.386 20 30 FGEDMM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824034666 608093482 /nfs/dbraw/zinc/09/34/82/608093482.db2.gz MPBLWWOWEDLJEG-ZPMKCOPCSA-N -1 1 351.391 3.115 20 30 FGEDMM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824034666 608093483 /nfs/dbraw/zinc/09/34/83/608093483.db2.gz MPBLWWOWEDLJEG-ZPMKCOPCSA-N -1 1 351.391 3.115 20 30 FGEDMM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000825631504 608230242 /nfs/dbraw/zinc/23/02/42/608230242.db2.gz BTWOVUFEOLPKJG-XQRVVYSFSA-N -1 1 371.378 3.131 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)s2)c(-c2nnn[n-]2)s1 ZINC000824131151 608349494 /nfs/dbraw/zinc/34/94/94/608349494.db2.gz UYICJJBXBBJCSK-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)s2)c(-c2nn[n-]n2)s1 ZINC000824131151 608349495 /nfs/dbraw/zinc/34/94/95/608349495.db2.gz UYICJJBXBBJCSK-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM COc1ccc([C@H](C)CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000826188220 608534039 /nfs/dbraw/zinc/53/40/39/608534039.db2.gz QQZDNRHQNYGZAI-LLVKDONJSA-N -1 1 369.429 3.362 20 30 FGEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccoc1C ZINC000151741056 704935873 /nfs/dbraw/zinc/93/58/73/704935873.db2.gz UXKGNLHYRMKXKU-UHFFFAOYSA-N -1 1 374.388 3.193 20 30 FGEDMM O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1cc(O)ccc1[O-] ZINC000156647905 705126197 /nfs/dbraw/zinc/12/61/97/705126197.db2.gz FXWNGOQQHCTFSN-GQCTYLIASA-N -1 1 351.280 3.495 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000176015331 705567370 /nfs/dbraw/zinc/56/73/70/705567370.db2.gz ALWWDQSPKFSCEI-INIZCTEOSA-N -1 1 358.419 3.255 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2Cl)c(=O)o1 ZINC000255210721 713687856 /nfs/dbraw/zinc/68/78/56/713687856.db2.gz CXNJJQDXQNSGQK-DQWBNOTDSA-N -1 1 369.598 3.331 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(Br)cc1[O-] ZINC000618893197 714785555 /nfs/dbraw/zinc/78/55/55/714785555.db2.gz YGMAQXGVGKALFH-OAHLLOKOSA-N -1 1 357.207 3.444 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000619463136 714838701 /nfs/dbraw/zinc/83/87/01/714838701.db2.gz IQLGNFVLFYAAEZ-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000619729183 714864662 /nfs/dbraw/zinc/86/46/62/714864662.db2.gz FECGSVTUBKGJHB-HNNXBMFYSA-N -1 1 373.206 3.280 20 30 FGEDMM COc1cc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc(Cl)c1O ZINC000756898866 722971463 /nfs/dbraw/zinc/97/14/63/722971463.db2.gz FILJSVJARLJOJA-UHFFFAOYSA-N -1 1 350.758 3.207 20 30 FGEDMM C[C@H](Oc1cccc(C=NNc2ccc(Br)cn2)c1)C(=O)[O-] ZINC000727263143 722442856 /nfs/dbraw/zinc/44/28/56/722442856.db2.gz OQJDOHBPPJEQOL-JTQLQIEISA-N -1 1 364.199 3.142 20 30 FGEDMM C#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000744180309 722574311 /nfs/dbraw/zinc/57/43/11/722574311.db2.gz YGJDUSPRAPZVIY-CYBMUJFWSA-N -1 1 361.394 3.113 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000748248637 722681833 /nfs/dbraw/zinc/68/18/33/722681833.db2.gz SYWXVOLLBFGDCO-UHFFFAOYSA-N -1 1 359.363 3.044 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)cc(Cl)c1 ZINC000748254503 722681836 /nfs/dbraw/zinc/68/18/36/722681836.db2.gz AEQUBYCLTSSCTC-UHFFFAOYSA-N -1 1 374.205 3.214 20 30 FGEDMM CCCCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000754884363 722947522 /nfs/dbraw/zinc/94/75/22/722947522.db2.gz JEKYPNLDLAVBTN-UHFFFAOYSA-N -1 1 358.504 3.447 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1nc2cc(Cl)ccc2n1C ZINC000756905591 722971657 /nfs/dbraw/zinc/97/16/57/722971657.db2.gz FLFKNEJDMQLENL-UHFFFAOYSA-N -1 1 358.785 3.380 20 30 FGEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794725583 723543187 /nfs/dbraw/zinc/54/31/87/723543187.db2.gz NRYDRIJNGXWTLB-KTAJNNJTSA-N -1 1 374.190 3.382 20 30 FGEDMM Cc1cccc2c1[C@H](C)CC2=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000766711159 723588507 /nfs/dbraw/zinc/58/85/07/723588507.db2.gz JJGDQGGPIBPTDG-GFCCVEGCSA-N -1 1 359.407 3.093 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1Cl ZINC000774049500 723852964 /nfs/dbraw/zinc/85/29/64/723852964.db2.gz AMGINFPSILVHJR-NSHDSACASA-N -1 1 363.826 3.383 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OCC#N)c2)c1 ZINC000785511341 724918361 /nfs/dbraw/zinc/91/83/61/724918361.db2.gz JDXGARQGFNNFHA-UHFFFAOYSA-N -1 1 364.810 3.130 20 30 FGEDMM CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nc(C3CC3)cs2)c(=O)[n-]1 ZINC000842936994 730560004 /nfs/dbraw/zinc/56/00/04/730560004.db2.gz BFSWGHSDUYMYDA-GFCCVEGCSA-N -1 1 374.491 3.356 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000867845370 733523378 /nfs/dbraw/zinc/52/33/78/733523378.db2.gz DFSVYDGIVMYGLM-ZBFHGGJFSA-N -1 1 366.826 3.003 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CC3CC3)s2)cc1 ZINC000892503668 740008733 /nfs/dbraw/zinc/00/87/33/740008733.db2.gz OOSBLPSFZZEJCJ-CQSZACIVSA-N -1 1 355.419 3.065 20 30 FGEDMM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900036349 743047675 /nfs/dbraw/zinc/04/76/75/743047675.db2.gz ZNGTXGHZISHBIJ-YGRLFVJLSA-N -1 1 369.259 3.067 20 30 FGEDMM C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124232 744342930 /nfs/dbraw/zinc/34/29/30/744342930.db2.gz RKRIPVCKJZPZGG-CVEARBPZSA-N -1 1 367.877 3.051 20 30 FGEDMM C[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1noc(C(F)(F)F)n1 ZINC000910765073 757039567 /nfs/dbraw/zinc/03/95/67/757039567.db2.gz ZRHPYERFBHYQQR-VKHMYHEASA-N -1 1 357.185 3.136 20 30 FGEDMM COc1cc(CN=Nc2ncccc2C(F)(F)F)cc([N+](=O)[O-])c1[O-] ZINC000915050386 757870588 /nfs/dbraw/zinc/87/05/88/757870588.db2.gz MXJOABWHYCRRCY-UHFFFAOYSA-N -1 1 356.260 3.169 20 30 FGEDMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000050533974 493920135 /nfs/dbraw/zinc/92/01/35/493920135.db2.gz DRRCMGNOUQENKJ-UHFFFAOYSA-N -1 1 371.462 3.053 20 30 FGEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000063181254 494031628 /nfs/dbraw/zinc/03/16/28/494031628.db2.gz PTMNJJYVKRCKQH-UHFFFAOYSA-N -1 1 357.435 3.406 20 30 FGEDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000077710003 494150782 /nfs/dbraw/zinc/15/07/82/494150782.db2.gz KHFKMJIVOOULLJ-UHFFFAOYSA-N -1 1 363.826 3.361 20 30 FGEDMM N#C[C@@H](C(=O)c1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707081 494554518 /nfs/dbraw/zinc/55/45/18/494554518.db2.gz BHGFNQMXVOTMDC-JTQLQIEISA-N -1 1 355.444 3.415 20 30 FGEDMM N#Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c([N+](=O)[O-])c1 ZINC000571528312 505755403 /nfs/dbraw/zinc/75/54/03/505755403.db2.gz XVIRUWOWKNJIRE-UHFFFAOYSA-N -1 1 372.406 3.136 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2c[nH]nc2-c2cc3ccccc3o2)c(=O)o1 ZINC000141350162 495505724 /nfs/dbraw/zinc/50/57/24/495505724.db2.gz GWTXJCZEFQLSJI-DKFQHHCZSA-N -1 1 362.341 3.051 20 30 FGEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000154220876 495548970 /nfs/dbraw/zinc/54/89/70/495548970.db2.gz RAHVHYAGXVWMBA-UHFFFAOYSA-N -1 1 364.854 3.399 20 30 FGEDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000176675224 495743666 /nfs/dbraw/zinc/74/36/66/495743666.db2.gz URVPRSKYTSJXKR-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000176727210 495764430 /nfs/dbraw/zinc/76/44/30/495764430.db2.gz HECGDUAXROLTKF-UHFFFAOYSA-N -1 1 373.724 3.199 20 30 FGEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)n[nH]1 ZINC000160682131 496019546 /nfs/dbraw/zinc/01/95/46/496019546.db2.gz BYUKFKCWBOVTKL-UHFFFAOYSA-N -1 1 354.391 3.183 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000171852126 496063739 /nfs/dbraw/zinc/06/37/39/496063739.db2.gz XRKWZYXJNYXXTQ-UHFFFAOYSA-N -1 1 372.450 3.338 20 30 FGEDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)n[nH]2)cc1C ZINC000578043086 505848473 /nfs/dbraw/zinc/84/84/73/505848473.db2.gz SGULGMVBFCCDRB-UHFFFAOYSA-N -1 1 356.407 3.267 20 30 FGEDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000181730495 496521352 /nfs/dbraw/zinc/52/13/52/496521352.db2.gz MRNILCUGIULYQM-UHFFFAOYSA-N -1 1 366.874 3.482 20 30 FGEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2C)o1 ZINC000178813252 496581533 /nfs/dbraw/zinc/58/15/33/496581533.db2.gz HXRVMDYYVYUVSJ-UHFFFAOYSA-N -1 1 356.407 3.267 20 30 FGEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000179026157 496649229 /nfs/dbraw/zinc/64/92/29/496649229.db2.gz FAWORORWZVVTMF-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CCOc1cc(CCCNC(=O)c2ccc(C#N)c([O-])c2)ccc1OC ZINC000188449586 496793784 /nfs/dbraw/zinc/79/37/84/496793784.db2.gz DEJOFEOEWCIATM-UHFFFAOYSA-N -1 1 354.406 3.034 20 30 FGEDMM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)[C@@H](C)CO2)c1 ZINC000188565681 496834082 /nfs/dbraw/zinc/83/40/82/496834082.db2.gz OHKCUOQAYJIMET-MGPUTAFESA-N -1 1 350.418 3.483 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cc(Cl)ccc2OC(F)F)cc1[O-] ZINC000188604093 496848056 /nfs/dbraw/zinc/84/80/56/496848056.db2.gz PYEQSKWHPBSOTJ-UHFFFAOYSA-N -1 1 352.724 3.449 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C(=O)N(C)C(C)C ZINC000195343790 496896972 /nfs/dbraw/zinc/89/69/72/496896972.db2.gz WSDAWOZTXTYRTK-UHFFFAOYSA-N -1 1 371.462 3.148 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1[O-] ZINC000189071440 496998284 /nfs/dbraw/zinc/99/82/84/496998284.db2.gz MYIKNPNXXQWQHP-ZDUSSCGKSA-N -1 1 359.788 3.065 20 30 FGEDMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000189948023 497303073 /nfs/dbraw/zinc/30/30/73/497303073.db2.gz FXGWHGPOEJANDB-KRWDZBQOSA-N -1 1 352.390 3.258 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1C(=O)NC(C)C ZINC000279889997 497578040 /nfs/dbraw/zinc/57/80/40/497578040.db2.gz ICKHQLQHSANKRP-UHFFFAOYSA-N -1 1 371.462 3.000 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCOc3ccc(Br)cc3C2)cc1[O-] ZINC000581144937 505919675 /nfs/dbraw/zinc/91/96/75/505919675.db2.gz XNWOMKQKOPJSKQ-UHFFFAOYSA-N -1 1 373.206 3.061 20 30 FGEDMM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000191013295 497683202 /nfs/dbraw/zinc/68/32/02/497683202.db2.gz LZNDGZJEERAXOJ-IBGZPJMESA-N -1 1 366.417 3.094 20 30 FGEDMM COc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1OCCCC#N ZINC000277232227 497784427 /nfs/dbraw/zinc/78/44/27/497784427.db2.gz IOGQBCGQZVTBHI-UHFFFAOYSA-N -1 1 369.421 3.069 20 30 FGEDMM Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc([O-])c(F)c4)no3)CC2)o1 ZINC000288956156 497958935 /nfs/dbraw/zinc/95/89/35/497958935.db2.gz COXGEVAMJGIINV-UHFFFAOYSA-N -1 1 369.356 3.133 20 30 FGEDMM CC(C)(C)CCOc1cnccc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000576185728 506096943 /nfs/dbraw/zinc/09/69/43/506096943.db2.gz CKVUPZHOGWPCJZ-UHFFFAOYSA-N -1 1 353.422 3.404 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)o1 ZINC000573162740 506132550 /nfs/dbraw/zinc/13/25/50/506132550.db2.gz OYVBNKAKJAAADR-UHFFFAOYSA-N -1 1 364.386 3.495 20 30 FGEDMM CO/N=C/c1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000370734605 499249601 /nfs/dbraw/zinc/24/96/01/499249601.db2.gz IJVHPBHDGWGAIE-HYARGMPZSA-N -1 1 366.417 3.108 20 30 FGEDMM C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000369616321 499426883 /nfs/dbraw/zinc/42/68/83/499426883.db2.gz QWBYANQRGSWMBV-UYAOXDASSA-N -1 1 357.450 3.185 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000410989154 499688884 /nfs/dbraw/zinc/68/88/84/499688884.db2.gz RGTWQNNLVCBERJ-ZJUUUORDSA-N -1 1 372.450 3.365 20 30 FGEDMM C[C@H](C#N)S(=O)(=O)[N-]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000416431103 500042569 /nfs/dbraw/zinc/04/25/69/500042569.db2.gz AACMDNIHZUFYJA-CYBMUJFWSA-N -1 1 366.487 3.108 20 30 FGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc4onc(C(C)C)c4c3)nc1-2 ZINC000429599843 500110761 /nfs/dbraw/zinc/11/07/61/500110761.db2.gz UCHYKOHBXUXCCA-CYBMUJFWSA-N -1 1 360.377 3.416 20 30 FGEDMM N#Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000429679461 500122406 /nfs/dbraw/zinc/12/24/06/500122406.db2.gz QFRAOVYXJAJAOD-LLVKDONJSA-N -1 1 364.386 3.230 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000416938897 500162161 /nfs/dbraw/zinc/16/21/61/500162161.db2.gz LYJWHRVPWQFLES-IBGZPJMESA-N -1 1 369.446 3.376 20 30 FGEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc1OC ZINC000426811324 500323725 /nfs/dbraw/zinc/32/37/25/500323725.db2.gz LYEAMMXOZTZQOJ-LJQANCHMSA-N -1 1 357.406 3.184 20 30 FGEDMM C=CCc1cc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc(OC)c1O ZINC000436965068 500580720 /nfs/dbraw/zinc/58/07/20/500580720.db2.gz JXOHGLAHIAAOSA-WQLSENKSSA-N -1 1 370.405 3.362 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2n1C(F)F ZINC000442903462 500644595 /nfs/dbraw/zinc/64/45/95/500644595.db2.gz YLPVJHALDKMKPM-JTQLQIEISA-N -1 1 356.332 3.500 20 30 FGEDMM COC(=O)c1sccc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448135603 500721942 /nfs/dbraw/zinc/72/19/42/500721942.db2.gz VWBGBQONRFTDEF-UHFFFAOYSA-N -1 1 353.359 3.314 20 30 FGEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc(-c2ccncc2)cs1 ZINC000434627035 500868918 /nfs/dbraw/zinc/86/89/18/500868918.db2.gz LZVHMGPBCSEZBB-LLVKDONJSA-N -1 1 359.361 3.157 20 30 FGEDMM C=CCNC(=O)Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000445332741 500974938 /nfs/dbraw/zinc/97/49/38/500974938.db2.gz QQVLAPWDWCATBK-UHFFFAOYSA-N -1 1 351.362 3.079 20 30 FGEDMM CC[C@@](C)(C#N)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436880464 501226611 /nfs/dbraw/zinc/22/66/11/501226611.db2.gz RDGNLUAPIFXZHU-AWEZNQCLSA-N -1 1 352.188 3.405 20 30 FGEDMM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)c1C ZINC000451068017 501243008 /nfs/dbraw/zinc/24/30/08/501243008.db2.gz GRZSEUTWUIKPJQ-UHFFFAOYSA-N -1 1 352.847 3.040 20 30 FGEDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000464363183 501966926 /nfs/dbraw/zinc/96/69/26/501966926.db2.gz SIPPPFQSHABFMU-LURJTMIESA-N -1 1 353.259 3.464 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000465146589 502201706 /nfs/dbraw/zinc/20/17/06/502201706.db2.gz QTZXQXJGFIEXJH-CYBMUJFWSA-N -1 1 362.426 3.239 20 30 FGEDMM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)cn1 ZINC000475797057 502294613 /nfs/dbraw/zinc/29/46/13/502294613.db2.gz KXNCTDXCIDXBRZ-UHFFFAOYSA-N -1 1 367.434 3.031 20 30 FGEDMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)n1 ZINC000475796223 502294627 /nfs/dbraw/zinc/29/46/27/502294627.db2.gz YBQRXROMPOPKMZ-UHFFFAOYSA-N -1 1 364.430 3.319 20 30 FGEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc2cc(F)ccc2s1 ZINC000592973400 506316773 /nfs/dbraw/zinc/31/67/73/506316773.db2.gz FOUAVDULSTYTLY-NSHDSACASA-N -1 1 367.361 3.256 20 30 FGEDMM C=CCCN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000466372278 502551270 /nfs/dbraw/zinc/55/12/70/502551270.db2.gz PLDLAVSNWJNFKC-UHFFFAOYSA-N -1 1 361.423 3.408 20 30 FGEDMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC)cc1 ZINC000467150137 502802173 /nfs/dbraw/zinc/80/21/73/502802173.db2.gz ULWNISBMKVJJAX-INIZCTEOSA-N -1 1 366.389 3.275 20 30 FGEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509430218 502899918 /nfs/dbraw/zinc/89/99/18/502899918.db2.gz KGFIGHXTSNTAFA-MRVPVSSYSA-N -1 1 352.239 3.023 20 30 FGEDMM CCSc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000490431818 503172659 /nfs/dbraw/zinc/17/26/59/503172659.db2.gz ZPXWOMITNHARMA-UHFFFAOYSA-N -1 1 368.430 3.427 20 30 FGEDMM Cc1nc(-c2ccc(N3CCc4c(CC#N)cccc4C3)nc2)[n-]c(=O)c1C ZINC000599194304 506368859 /nfs/dbraw/zinc/36/88/59/506368859.db2.gz DZKYZHQMMURIIW-UHFFFAOYSA-N -1 1 371.444 3.490 20 30 FGEDMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)NC2(C#N)CCC2)nc1-c1ccccc1 ZINC000527285746 503753386 /nfs/dbraw/zinc/75/33/86/503753386.db2.gz MDIGHJOEFANWEN-ZDUSSCGKSA-N -1 1 368.462 3.201 20 30 FGEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000518017293 503890510 /nfs/dbraw/zinc/89/05/10/503890510.db2.gz CGOYYCBEMTYHEN-UHFFFAOYSA-N -1 1 357.435 3.157 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c2cccnc12 ZINC000532880041 504771024 /nfs/dbraw/zinc/77/10/24/504771024.db2.gz MADUAYYHSZGMRD-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM COCCOc1c(Cl)cccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000566310435 505141410 /nfs/dbraw/zinc/14/14/10/505141410.db2.gz MEAMQTRXRJHDOH-UHFFFAOYSA-N -1 1 360.863 3.047 20 30 FGEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000561544493 505373674 /nfs/dbraw/zinc/37/36/74/505373674.db2.gz PTXAGBJYYPSTOL-JTQLQIEISA-N -1 1 358.341 3.252 20 30 FGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CCCCC2)cc1Br ZINC000589122327 506448885 /nfs/dbraw/zinc/44/88/85/506448885.db2.gz TUXXDDMGYJGPPT-UHFFFAOYSA-N -1 1 361.236 3.071 20 30 FGEDMM CC(C)OC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589162341 506464397 /nfs/dbraw/zinc/46/43/97/506464397.db2.gz RHSOPVFWWMJEOJ-GOSISDBHSA-N -1 1 352.390 3.077 20 30 FGEDMM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589184939 506473496 /nfs/dbraw/zinc/47/34/96/506473496.db2.gz CIQUGRLHCQEWCZ-UHFFFAOYSA-N -1 1 373.434 3.058 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000589188086 506474669 /nfs/dbraw/zinc/47/46/69/506474669.db2.gz RHXVEGPNSIDLJR-FQEVSTJZSA-N -1 1 350.418 3.128 20 30 FGEDMM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589205331 506482859 /nfs/dbraw/zinc/48/28/59/506482859.db2.gz SVCCASULXWPMLV-RBUKOAKNSA-N -1 1 350.418 3.378 20 30 FGEDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)ccc2n1C ZINC000593276127 506507360 /nfs/dbraw/zinc/50/73/60/506507360.db2.gz NSGOUYKAVPJPFN-UHFFFAOYSA-N -1 1 368.462 3.484 20 30 FGEDMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)c2C1 ZINC000593279703 506509061 /nfs/dbraw/zinc/50/90/61/506509061.db2.gz JIHMPJWPCFDNFL-UHFFFAOYSA-N -1 1 355.463 3.234 20 30 FGEDMM COC(=O)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1OC(C)C ZINC000589959452 506688686 /nfs/dbraw/zinc/68/86/86/506688686.db2.gz FIEQIASATJNDCV-UHFFFAOYSA-N -1 1 354.362 3.090 20 30 FGEDMM N#CC1(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000590154127 506751472 /nfs/dbraw/zinc/75/14/72/506751472.db2.gz ACQWCOSTHSCLMY-UHFFFAOYSA-N -1 1 355.419 3.120 20 30 FGEDMM C=CC(C)(C)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000600165007 506816686 /nfs/dbraw/zinc/81/66/86/506816686.db2.gz NYFBECGCBCDFHH-UHFFFAOYSA-N -1 1 359.207 3.329 20 30 FGEDMM N#Cc1cc(-c2csc(CN3C(=O)NC4(CCCC4)C3=O)c2)ccc1[O-] ZINC000593955394 506847992 /nfs/dbraw/zinc/84/79/92/506847992.db2.gz ZDPBYXXHFQQGTA-UHFFFAOYSA-N -1 1 367.430 3.357 20 30 FGEDMM C[C@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc21 ZINC000600665139 507054063 /nfs/dbraw/zinc/05/40/63/507054063.db2.gz NCGIQEYTAPSCND-ZDUSSCGKSA-N -1 1 369.446 3.023 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000610123117 507107093 /nfs/dbraw/zinc/10/70/93/507107093.db2.gz FYZUSNBWRXRSJA-UHFFFAOYSA-N -1 1 371.462 3.196 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000594722163 507253512 /nfs/dbraw/zinc/25/35/12/507253512.db2.gz FDVOEBWHCZXIOF-UHFFFAOYSA-N -1 1 373.463 3.268 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN(c3ccccc3Cl)CC2)c1 ZINC000591832689 507383677 /nfs/dbraw/zinc/38/36/77/507383677.db2.gz PBAJFZLKDYJHEW-UHFFFAOYSA-N -1 1 355.825 3.270 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000614293461 507444602 /nfs/dbraw/zinc/44/46/02/507444602.db2.gz HUJCJNAMKUAANP-KRWDZBQOSA-N -1 1 350.374 3.012 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1 ZINC000614298085 507445744 /nfs/dbraw/zinc/44/57/44/507445744.db2.gz BWBFUIBSCCYQNK-UHFFFAOYSA-N -1 1 354.366 3.098 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(I)c2)c1 ZINC000614357349 507475799 /nfs/dbraw/zinc/47/57/99/507475799.db2.gz HFOGQCHVTVKOHD-UHFFFAOYSA-N -1 1 364.142 3.121 20 30 FGEDMM C[C@@H]1CN(Cc2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)O1 ZINC000614364052 507479962 /nfs/dbraw/zinc/47/99/62/507479962.db2.gz QZNCXMUOWBQGNQ-HUUCEWRRSA-N -1 1 365.433 3.125 20 30 FGEDMM N#Cc1ccnc(C(=O)N=c2nc(-c3cccc(C(F)(F)F)c3)[nH][n-]2)c1 ZINC000496069733 561492027 /nfs/dbraw/zinc/49/20/27/561492027.db2.gz IJGORWHZERKIEU-UHFFFAOYSA-N -1 1 358.283 3.009 20 30 FGEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1cccc(OC)c1 ZINC000736302400 598936043 /nfs/dbraw/zinc/93/60/43/598936043.db2.gz DXVLGNDEIPADAR-UHFFFAOYSA-N -1 1 369.429 3.288 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(c3ccccc3)C2)o1 ZINC000735939220 598276674 /nfs/dbraw/zinc/27/66/74/598276674.db2.gz LQOOYHTXKUOLKI-UHFFFAOYSA-N -1 1 351.414 3.498 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000737468058 598438340 /nfs/dbraw/zinc/43/83/40/598438340.db2.gz XLQBZMQPFDYCPW-UHFFFAOYSA-N -1 1 371.710 3.281 20 30 FGEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000832934929 601841314 /nfs/dbraw/zinc/84/13/14/601841314.db2.gz JVDFNQIDYMBHBH-KRWDZBQOSA-N -1 1 371.481 3.207 20 30 FGEDMM C[C@@H](Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC000794860023 602067261 /nfs/dbraw/zinc/06/72/61/602067261.db2.gz LZDUKLAYRVXEGR-SNVBAGLBSA-N -1 1 353.300 3.398 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825256480 604160848 /nfs/dbraw/zinc/16/08/48/604160848.db2.gz YJNSURLQGRBTLS-DZGCQCFKSA-N -1 1 354.372 3.425 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000827355501 604242321 /nfs/dbraw/zinc/24/23/21/604242321.db2.gz IKEZGFBNCKPNQX-NSHDSACASA-N -1 1 373.390 3.208 20 30 FGEDMM C=CCn1c(=O)[nH]nc1S[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833380858 605071744 /nfs/dbraw/zinc/07/17/44/605071744.db2.gz QMSGWSIFCIPUJG-JTQLQIEISA-N -1 1 360.222 3.395 20 30 FGEDMM CC[C@@H](C#N)Oc1cc(CNCc2cc(C(=O)[O-])c(C)o2)ccc1OC ZINC000833635817 605095014 /nfs/dbraw/zinc/09/50/14/605095014.db2.gz ATGYNXCQYOVVNC-AWEZNQCLSA-N -1 1 358.394 3.266 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000824141589 607887259 /nfs/dbraw/zinc/88/72/59/607887259.db2.gz KSEUCQQTGSYMBS-CHWSQXEVSA-N -1 1 351.414 3.354 20 30 FGEDMM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000826399629 608092193 /nfs/dbraw/zinc/09/21/93/608092193.db2.gz AVEJZRRIRLLMMA-JHMJBTLWSA-N -1 1 353.363 3.289 20 30 FGEDMM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000826399629 608092194 /nfs/dbraw/zinc/09/21/94/608092194.db2.gz AVEJZRRIRLLMMA-JHMJBTLWSA-N -1 1 353.363 3.289 20 30 FGEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000826177991 608092725 /nfs/dbraw/zinc/09/27/25/608092725.db2.gz FGNIIGDXLDQWLR-SNAWJCMRSA-N -1 1 356.407 3.150 20 30 FGEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000826177991 608092726 /nfs/dbraw/zinc/09/27/26/608092726.db2.gz FGNIIGDXLDQWLR-SNAWJCMRSA-N -1 1 356.407 3.150 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c1)O[C@@H](C)C2 ZINC000826178534 608093509 /nfs/dbraw/zinc/09/35/09/608093509.db2.gz BIVYTVLRIAKUOD-XOULXFPDSA-N -1 1 368.418 3.156 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c1)O[C@@H](C)C2 ZINC000826178534 608093510 /nfs/dbraw/zinc/09/35/10/608093510.db2.gz BIVYTVLRIAKUOD-XOULXFPDSA-N -1 1 368.418 3.156 20 30 FGEDMM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823962276 608094719 /nfs/dbraw/zinc/09/47/19/608094719.db2.gz ITXCKJNXOADIGS-UHFFFAOYSA-N -1 1 353.333 3.178 20 30 FGEDMM CSc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)c(Cl)c1 ZINC000826230094 608110612 /nfs/dbraw/zinc/11/06/12/608110612.db2.gz DENZCXSLPVHPJU-UHFFFAOYSA-N -1 1 363.834 3.375 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 ZINC000024346971 695667416 /nfs/dbraw/zinc/66/74/16/695667416.db2.gz XPEHRMPGKOGFJO-UHFFFAOYSA-N -1 1 356.447 3.453 20 30 FGEDMM CCCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000104984034 700498074 /nfs/dbraw/zinc/49/80/74/700498074.db2.gz AHGMGFWJJKUIKE-UHFFFAOYSA-N -1 1 368.499 3.476 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)[C@H](CC)OCC)nc2C)n[n-]c1=S ZINC000110814282 700543730 /nfs/dbraw/zinc/54/37/30/700543730.db2.gz HSBVDFZAXMBALA-JTQLQIEISA-N -1 1 367.500 3.312 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000174650106 705512560 /nfs/dbraw/zinc/51/25/60/705512560.db2.gz SVLHAGXJQJHOOX-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM N#Cc1cccc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1 ZINC000177107374 705606203 /nfs/dbraw/zinc/60/62/03/705606203.db2.gz GVXUDWBJONJXQN-UHFFFAOYSA-N -1 1 362.357 3.208 20 30 FGEDMM Cc1nn(-c2ccncc2)cc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000783776662 724789514 /nfs/dbraw/zinc/78/95/14/724789514.db2.gz LHWYXBNMYIPJLB-UHFFFAOYSA-N -1 1 355.785 3.373 20 30 FGEDMM N#C[C@H](C(=O)c1nccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000683688636 722305523 /nfs/dbraw/zinc/30/55/23/722305523.db2.gz DHHOPHJGMIKMKO-SECBINFHSA-N -1 1 356.432 3.222 20 30 FGEDMM O=C(c1c(F)ccc([O-])c1F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000685442806 722385359 /nfs/dbraw/zinc/38/53/59/722385359.db2.gz NSBHBHXCONHOJT-PHDIDXHHSA-N -1 1 363.204 3.483 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000730995930 722472535 /nfs/dbraw/zinc/47/25/35/722472535.db2.gz DETJSCIETRHTQW-UHFFFAOYSA-N -1 1 371.336 3.398 20 30 FGEDMM C=CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000734500834 722507988 /nfs/dbraw/zinc/50/79/88/722507988.db2.gz IIJNQTRBXIWJDF-CYBMUJFWSA-N -1 1 367.814 3.239 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(Cl)c1Cl ZINC000734978855 722511636 /nfs/dbraw/zinc/51/16/36/722511636.db2.gz VUISACMBCZQBBS-UHFFFAOYSA-N -1 1 368.245 3.456 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1coc2ccccc12 ZINC000747764174 722659973 /nfs/dbraw/zinc/65/99/73/722659973.db2.gz NAFIHCLVOOZHJI-UHFFFAOYSA-N -1 1 359.363 3.044 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@@H]1c1ccccc1 ZINC000748248119 722681543 /nfs/dbraw/zinc/68/15/43/722681543.db2.gz GZCUCAUDXBUXKH-CQSZACIVSA-N -1 1 359.407 3.197 20 30 FGEDMM C[C@H]1CC(C)(C)CCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000748248287 722681602 /nfs/dbraw/zinc/68/16/02/722681602.db2.gz CPWYLGGXLNNNPL-LBPRGKRZSA-N -1 1 353.444 3.216 20 30 FGEDMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)Nc1cccc(C#N)c1 ZINC000748473931 722692841 /nfs/dbraw/zinc/69/28/41/722692841.db2.gz CEVDBRHZQFOFLU-SECBINFHSA-N -1 1 362.744 3.240 20 30 FGEDMM N#CCCCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000748871015 722707150 /nfs/dbraw/zinc/70/71/50/722707150.db2.gz XTPQNBUNUDBLAR-UHFFFAOYSA-N -1 1 358.419 3.338 20 30 FGEDMM COC(=O)[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1cccc(C#N)c1 ZINC000751730708 722824021 /nfs/dbraw/zinc/82/40/21/722824021.db2.gz HHQDWSGGYXRNTH-HNNXBMFYSA-N -1 1 363.728 3.127 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCC2CCOCC2)cc1 ZINC000755682630 722955702 /nfs/dbraw/zinc/95/57/02/722955702.db2.gz IEQQPVJBTWQWIV-UHFFFAOYSA-N -1 1 359.451 3.312 20 30 FGEDMM COC[C@H](C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000756227021 722961958 /nfs/dbraw/zinc/96/19/58/722961958.db2.gz NIYJCSYLHGPGDZ-ZYHUDNBSSA-N -1 1 359.451 3.125 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cc(O)ccc1Br ZINC000756899381 722971573 /nfs/dbraw/zinc/97/15/73/722971573.db2.gz YWGFGKXNQQICLO-UHFFFAOYSA-N -1 1 365.183 3.308 20 30 FGEDMM O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 ZINC000757472118 722976582 /nfs/dbraw/zinc/97/65/82/722976582.db2.gz LGGOMQPDKJTSKG-FPYGCLRLSA-N -1 1 350.273 3.050 20 30 FGEDMM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c([O-])ccc(Cl)c1F ZINC000790154211 723110262 /nfs/dbraw/zinc/11/02/62/723110262.db2.gz RICNIBBQSUICDI-UHFFFAOYSA-N -1 1 370.837 3.038 20 30 FGEDMM O=C([O-])c1ccc(N=NCc2c(F)ccc(C3OCCO3)c2Cl)nc1 ZINC000761827353 723187427 /nfs/dbraw/zinc/18/74/27/723187427.db2.gz CGADBSYBXZLTEC-UHFFFAOYSA-N -1 1 365.748 3.064 20 30 FGEDMM N#C[C@@H](C(=O)[C@@H]1CCSC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000762063391 723211692 /nfs/dbraw/zinc/21/16/92/723211692.db2.gz CMPZNBRBUPRFBM-KOLCDFICSA-N -1 1 359.476 3.205 20 30 FGEDMM N#Cc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764766227 723443819 /nfs/dbraw/zinc/44/38/19/723443819.db2.gz YQXLLGXVZFGSOX-UHFFFAOYSA-N -1 1 360.211 3.026 20 30 FGEDMM O=C([O-])c1ccc2c(C=NNCc3ccc(Br)cc3)n[nH]c2c1 ZINC000765571827 723524303 /nfs/dbraw/zinc/52/43/03/723524303.db2.gz LOKMOOOATUZZEA-UHFFFAOYSA-N -1 1 373.210 3.147 20 30 FGEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000769816210 723696832 /nfs/dbraw/zinc/69/68/32/723696832.db2.gz CZAQPMLDWOYMTM-VXGBXAGGSA-N -1 1 356.817 3.314 20 30 FGEDMM CN1CCN(c2ccc(/C=C\C(=O)c3csc(C(=O)[O-])c3)cc2)CC1 ZINC000771528534 723737047 /nfs/dbraw/zinc/73/70/47/723737047.db2.gz YJGPCVBWXGFTRR-DAXSKMNVSA-N -1 1 356.447 3.094 20 30 FGEDMM N#C[C@H](C(=O)Cc1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000772636860 723764486 /nfs/dbraw/zinc/76/44/86/723764486.db2.gz IVRCVHNNMGQNSR-GFCCVEGCSA-N -1 1 353.403 3.288 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1O ZINC000799925337 724114181 /nfs/dbraw/zinc/11/41/81/724114181.db2.gz KARKZDVJOYYJFI-UHFFFAOYSA-N -1 1 372.324 3.092 20 30 FGEDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000800052409 724137125 /nfs/dbraw/zinc/13/71/25/724137125.db2.gz VVOVWHMVBLKCFF-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM Cn1cc(-c2ccc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3O)s2)cn1 ZINC000800794853 724228683 /nfs/dbraw/zinc/22/86/83/724228683.db2.gz RPNHLXIWTZRSHU-ZZXKWVIFSA-N -1 1 354.387 3.449 20 30 FGEDMM N#Cc1cccc(OCCOC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000778826998 724365458 /nfs/dbraw/zinc/36/54/58/724365458.db2.gz GWPDKKFYKIAQHQ-UHFFFAOYSA-N -1 1 362.179 3.262 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C)C#N)cc2)ccc1F ZINC000785447627 724913306 /nfs/dbraw/zinc/91/33/06/724913306.db2.gz PQKZDYYFSDRJAG-GFCCVEGCSA-N -1 1 362.382 3.004 20 30 FGEDMM CC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([O-])c(Cl)c1 ZINC000812230774 725391216 /nfs/dbraw/zinc/39/12/16/725391216.db2.gz BWXPZYSYNVMPGX-UHFFFAOYSA-N -1 1 367.858 3.132 20 30 FGEDMM [O-]c1cccc(CN=Nc2nc(Br)cn3ccnc23)c1Cl ZINC000814866957 727007491 /nfs/dbraw/zinc/00/74/91/727007491.db2.gz LMFFVMHFCARFOX-UHFFFAOYSA-N -1 1 366.606 3.297 20 30 FGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C23CCC(CC2)C3)cc1Br ZINC000831081161 729616096 /nfs/dbraw/zinc/61/60/96/729616096.db2.gz PAIPHQAAZSLZDI-UHFFFAOYSA-N -1 1 373.247 3.071 20 30 FGEDMM CC1(C)COCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000834953387 729847932 /nfs/dbraw/zinc/84/79/32/729847932.db2.gz CDSIJQBNLMFHRH-UHFFFAOYSA-N -1 1 359.451 3.312 20 30 FGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2c(C)[n-][nH]c2=O)s1 ZINC000854633308 731847398 /nfs/dbraw/zinc/84/73/98/731847398.db2.gz VGHGYAHBGGKATQ-UHFFFAOYSA-N -1 1 358.876 3.214 20 30 FGEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000856315969 732009069 /nfs/dbraw/zinc/00/90/69/732009069.db2.gz GCYZMMBMURMBEV-MSOLQXFVSA-N -1 1 358.825 3.405 20 30 FGEDMM CCOCCON=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863108577 732915497 /nfs/dbraw/zinc/91/54/97/732915497.db2.gz SMISKOUWLJQDOM-UHFFFAOYSA-N -1 1 362.451 3.265 20 30 FGEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)cs1 ZINC000901265615 743244926 /nfs/dbraw/zinc/24/49/26/743244926.db2.gz AOQQTHHRJDYGOI-UHFFFAOYSA-N -1 1 361.448 3.384 20 30 FGEDMM C[C@H]1[C@](C)(C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@]1(F)Cl ZINC000905449413 744022684 /nfs/dbraw/zinc/02/26/84/744022684.db2.gz WAHSURCRNIMTCZ-QXRSLXQMSA-N -1 1 354.817 3.245 20 30 FGEDMM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000917509536 758231484 /nfs/dbraw/zinc/23/14/84/758231484.db2.gz JFBBNHYAWYCPBD-LLVKDONJSA-N -1 1 352.375 3.068 20 30 FGEDMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000068844113 493883718 /nfs/dbraw/zinc/88/37/18/493883718.db2.gz YKCXSHAATLSRQU-JTQLQIEISA-N -1 1 370.331 3.401 20 30 FGEDMM CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000068844114 493884098 /nfs/dbraw/zinc/88/40/98/493884098.db2.gz YKCXSHAATLSRQU-SNVBAGLBSA-N -1 1 370.331 3.401 20 30 FGEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000050531357 493920080 /nfs/dbraw/zinc/92/00/80/493920080.db2.gz DRBCAKSGFOIJJL-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000055664089 494385314 /nfs/dbraw/zinc/38/53/14/494385314.db2.gz KBKXZLWFIHTPMC-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM CSc1[n-]c(=O)c(C(=O)Nc2cccc3ccc(C)nc32)cc1C#N ZINC000067178154 494491179 /nfs/dbraw/zinc/49/11/79/494491179.db2.gz FDZQFTKRTUOZEN-UHFFFAOYSA-N -1 1 350.403 3.490 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)ccc1Cl ZINC000126843146 494848998 /nfs/dbraw/zinc/84/89/98/494848998.db2.gz HXEKITCYAFCFQS-UHFFFAOYSA-N -1 1 350.831 3.393 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000116854730 494862381 /nfs/dbraw/zinc/86/23/81/494862381.db2.gz ZNNXPVQHDFUQNG-ZDUSSCGKSA-N -1 1 362.426 3.321 20 30 FGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000122146429 494931671 /nfs/dbraw/zinc/93/16/71/494931671.db2.gz VGPRRWXSHYNQCD-QGZVFWFLSA-N -1 1 371.462 3.155 20 30 FGEDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)s1 ZINC000122295853 494953665 /nfs/dbraw/zinc/95/36/65/494953665.db2.gz GGRWRPMNGZAZQB-AWEZNQCLSA-N -1 1 367.883 3.406 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134666385 495184125 /nfs/dbraw/zinc/18/41/25/495184125.db2.gz LYURGXHJKKIHSG-UHFFFAOYSA-N -1 1 374.315 3.009 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000123909263 495205259 /nfs/dbraw/zinc/20/52/59/495205259.db2.gz DPTARSQBXMMGMV-LBPRGKRZSA-N -1 1 360.439 3.028 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000154211485 495545791 /nfs/dbraw/zinc/54/57/91/495545791.db2.gz UAJDIIMNYQEXNK-AWEZNQCLSA-N -1 1 374.462 3.190 20 30 FGEDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)[nH]n1 ZINC000182572088 495621498 /nfs/dbraw/zinc/62/14/98/495621498.db2.gz KQDBNIUIQAYWNU-UHFFFAOYSA-N -1 1 366.446 3.176 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000179533649 495631870 /nfs/dbraw/zinc/63/18/70/495631870.db2.gz XWIPXCDNAQSQDA-UHFFFAOYSA-N -1 1 362.361 3.481 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000171004706 495684476 /nfs/dbraw/zinc/68/44/76/495684476.db2.gz QMEMPGGANWFCFV-INIZCTEOSA-N -1 1 371.462 3.136 20 30 FGEDMM C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000183060973 495817916 /nfs/dbraw/zinc/81/79/16/495817916.db2.gz UOHROWURVPKFAX-UHFFFAOYSA-N -1 1 362.426 3.275 20 30 FGEDMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000171773578 496030647 /nfs/dbraw/zinc/03/06/47/496030647.db2.gz QZBYOGWGAGKICT-UHFFFAOYSA-N -1 1 369.368 3.444 20 30 FGEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000161310206 496148978 /nfs/dbraw/zinc/14/89/78/496148978.db2.gz NGWVYENXADCRBI-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c2ccccc12 ZINC000182265019 496723175 /nfs/dbraw/zinc/72/31/75/496723175.db2.gz WXNCJKYIGQVNID-UHFFFAOYSA-N -1 1 365.414 3.471 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc1[O-] ZINC000188954990 496958772 /nfs/dbraw/zinc/95/87/72/496958772.db2.gz NXFUHNZTTQMJJF-KRWDZBQOSA-N -1 1 352.365 3.281 20 30 FGEDMM COc1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C(F)(F)F)cc1 ZINC000189197859 497040618 /nfs/dbraw/zinc/04/06/18/497040618.db2.gz XBJGNCIJFHDQIU-OAHLLOKOSA-N -1 1 350.296 3.306 20 30 FGEDMM N#Cc1cccnc1-n1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000192267112 497056224 /nfs/dbraw/zinc/05/62/24/497056224.db2.gz GTYZOCRVUXSWFU-UHFFFAOYSA-N -1 1 354.757 3.142 20 30 FGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193355198 497359458 /nfs/dbraw/zinc/35/94/58/497359458.db2.gz VBLXJPVJAGJEGD-UHFFFAOYSA-N -1 1 371.462 3.035 20 30 FGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000267554446 497577605 /nfs/dbraw/zinc/57/76/05/497577605.db2.gz YXRKHAFIAJXZDH-KRWDZBQOSA-N -1 1 371.462 3.155 20 30 FGEDMM N#C[C@]1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC12CCCC2 ZINC000575321513 505960902 /nfs/dbraw/zinc/96/09/02/505960902.db2.gz NKQDEFMMMIKRNM-KRWDZBQOSA-N -1 1 357.801 3.243 20 30 FGEDMM C=C(C)CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000302025510 498374705 /nfs/dbraw/zinc/37/47/05/498374705.db2.gz HPQPOKXJCZIELS-UHFFFAOYSA-N -1 1 353.394 3.173 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1Cl ZINC000326185429 498841390 /nfs/dbraw/zinc/84/13/90/498841390.db2.gz RQJQTXUCYDFBJK-UHFFFAOYSA-N -1 1 372.736 3.334 20 30 FGEDMM Cc1sc(CC[N-]S(=O)(=O)c2ccc(C#N)o2)nc1-c1ccccc1 ZINC000570267379 506128742 /nfs/dbraw/zinc/12/87/42/506128742.db2.gz GEGIHGRSJYLRKY-UHFFFAOYSA-N -1 1 373.459 3.104 20 30 FGEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccccc1 ZINC000429598909 500110860 /nfs/dbraw/zinc/11/08/60/500110860.db2.gz REEVKPURHDMXMO-HNNXBMFYSA-N -1 1 356.389 3.251 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cccc1-c1ncco1 ZINC000427310679 500380302 /nfs/dbraw/zinc/38/03/02/500380302.db2.gz WAFMEHHMYXARCM-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc21 ZINC000427324459 500381547 /nfs/dbraw/zinc/38/15/47/500381547.db2.gz MOXBNXFJUPOTDL-UHFFFAOYSA-N -1 1 373.409 3.099 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1C#N ZINC000427348115 500383967 /nfs/dbraw/zinc/38/39/67/500383967.db2.gz UOCWGTBJBOEAPY-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000427556070 500405145 /nfs/dbraw/zinc/40/51/45/500405145.db2.gz YDCBTPGSNUSBNG-UHFFFAOYSA-N -1 1 363.186 3.438 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1[O-] ZINC000427599098 500410322 /nfs/dbraw/zinc/41/03/22/500410322.db2.gz LWMUPGRKUOURIP-UHFFFAOYSA-N -1 1 365.267 3.121 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)ccc1C(F)(F)F ZINC000443397749 500718951 /nfs/dbraw/zinc/71/89/51/500718951.db2.gz FVJTYZNPUKLZKM-UHFFFAOYSA-N -1 1 366.324 3.254 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000443422045 500723113 /nfs/dbraw/zinc/72/31/13/500723113.db2.gz ZSIORJMSIIKUNA-UHFFFAOYSA-N -1 1 358.419 3.051 20 30 FGEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000435590034 500996904 /nfs/dbraw/zinc/99/69/04/500996904.db2.gz UKERNZOMGSABSK-LKFCYVNXSA-N -1 1 368.257 3.392 20 30 FGEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000435590037 500996948 /nfs/dbraw/zinc/99/69/48/500996948.db2.gz UKERNZOMGSABSK-YMTOWFKASA-N -1 1 368.257 3.392 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(Br)cccc3C2)c1 ZINC000589175580 506470598 /nfs/dbraw/zinc/47/05/98/506470598.db2.gz SJOPNVWBKGMDRS-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)[nH]n2)o1 ZINC000446630017 501144840 /nfs/dbraw/zinc/14/48/40/501144840.db2.gz CSIGLRMYOYETBQ-UHFFFAOYSA-N -1 1 362.798 3.304 20 30 FGEDMM N#CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000436547549 501153633 /nfs/dbraw/zinc/15/36/33/501153633.db2.gz RDIHHWOJYDZXFQ-UHFFFAOYSA-N -1 1 371.343 3.051 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2C(C)(C)C2(C)C)n[nH]1 ZINC000451052302 501242168 /nfs/dbraw/zinc/24/21/68/501242168.db2.gz AOXRNBCYKAWKBL-UHFFFAOYSA-N -1 1 374.466 3.240 20 30 FGEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(F)(F)F ZINC000468769278 502176489 /nfs/dbraw/zinc/17/64/89/502176489.db2.gz AZWDKZLWIQFOFT-NSHDSACASA-N -1 1 374.306 3.442 20 30 FGEDMM N#C[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCc2ccccc2C1 ZINC000471951671 502181755 /nfs/dbraw/zinc/18/17/55/502181755.db2.gz KGJKEBJQJQGGAO-KRWDZBQOSA-N -1 1 364.829 3.209 20 30 FGEDMM CC(C)n1ccc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 ZINC000479596709 502311200 /nfs/dbraw/zinc/31/12/00/502311200.db2.gz ZPYZOOCBFOTJPJ-UHFFFAOYSA-N -1 1 366.450 3.449 20 30 FGEDMM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476215644 502416532 /nfs/dbraw/zinc/41/65/32/502416532.db2.gz HJEIAGPAKSJMCT-HNNXBMFYSA-N -1 1 372.531 3.138 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1C ZINC000476388618 502477143 /nfs/dbraw/zinc/47/71/43/502477143.db2.gz LHQOFUOYYWZQOZ-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000473771875 502703543 /nfs/dbraw/zinc/70/35/43/502703543.db2.gz RSJYWZWMQIYCOD-MRXNPFEDSA-N -1 1 373.391 3.139 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2C)c1 ZINC000538318408 504204087 /nfs/dbraw/zinc/20/40/87/504204087.db2.gz SHDOHYMJNWTXTC-UHFFFAOYSA-N -1 1 360.435 3.319 20 30 FGEDMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000547871115 504255661 /nfs/dbraw/zinc/25/56/61/504255661.db2.gz CQZTWZLEFVLGCE-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#Cc1cccc(-c2nnc(CSc3nc(C(F)F)cc(=O)[n-]3)o2)c1 ZINC000566530999 505196210 /nfs/dbraw/zinc/19/62/10/505196210.db2.gz SWYHAPKHXFLRPC-UHFFFAOYSA-N -1 1 361.333 3.334 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)o1 ZINC000561477378 505356847 /nfs/dbraw/zinc/35/68/47/505356847.db2.gz QKBLTFQJUXWTNC-LBPRGKRZSA-N -1 1 354.840 3.320 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2cccs2)o1 ZINC000561514690 505365726 /nfs/dbraw/zinc/36/57/26/505365726.db2.gz LZIRLQMXSBJKSU-HNNXBMFYSA-N -1 1 358.444 3.475 20 30 FGEDMM CN(CCc1ccc(Br)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589179117 506473153 /nfs/dbraw/zinc/47/31/53/506473153.db2.gz FBBLKJWTDSLEJC-UHFFFAOYSA-N -1 1 359.223 3.341 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCC1 ZINC000593622971 506706496 /nfs/dbraw/zinc/70/64/96/506706496.db2.gz FSZMIGASNXGWGS-UHFFFAOYSA-N -1 1 351.230 3.495 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c(F)c1 ZINC000590760000 506940673 /nfs/dbraw/zinc/94/06/73/506940673.db2.gz BWSBCLNXPRUMQI-AAEUAGOBSA-N -1 1 364.364 3.487 20 30 FGEDMM C[C@@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc21 ZINC000600665138 507054261 /nfs/dbraw/zinc/05/42/61/507054261.db2.gz NCGIQEYTAPSCND-CYBMUJFWSA-N -1 1 369.446 3.023 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C ZINC000594699843 507244211 /nfs/dbraw/zinc/24/42/11/507244211.db2.gz DKBIIZJFTUUJBM-QMMMGPOBSA-N -1 1 351.653 3.455 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Br)cc1C ZINC000594699842 507243349 /nfs/dbraw/zinc/24/33/49/507243349.db2.gz DKBIIZJFTUUJBM-MRVPVSSYSA-N -1 1 351.653 3.455 20 30 FGEDMM Cc1nc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)[n-]c(=O)c1C1CC1 ZINC000601088242 507256369 /nfs/dbraw/zinc/25/63/69/507256369.db2.gz NUNANHZVQYUANY-HNNXBMFYSA-N -1 1 366.446 3.137 20 30 FGEDMM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000598224350 507326664 /nfs/dbraw/zinc/32/66/64/507326664.db2.gz PSQYEKGJSPWGTE-GOSISDBHSA-N -1 1 354.381 3.395 20 30 FGEDMM C=CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000591681518 507330331 /nfs/dbraw/zinc/33/03/31/507330331.db2.gz NMBGAMCBFSQTGO-UHFFFAOYSA-N -1 1 353.421 3.120 20 30 FGEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000614357754 507475685 /nfs/dbraw/zinc/47/56/85/507475685.db2.gz PUPCCKNNZHFPHQ-IBGZPJMESA-N -1 1 352.390 3.162 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c1 ZINC000614368170 507480529 /nfs/dbraw/zinc/48/05/29/507480529.db2.gz AWYXODQQHFGWON-UHFFFAOYSA-N -1 1 369.808 3.406 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000614373833 507484669 /nfs/dbraw/zinc/48/46/69/507484669.db2.gz GCIAAABXEIRFHI-ZDUSSCGKSA-N -1 1 359.788 3.065 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000592351091 507613348 /nfs/dbraw/zinc/61/33/48/507613348.db2.gz SPUYXMSSVKNKPZ-WFASDCNBSA-N -1 1 354.497 3.105 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2nccc3ccccc32)o1 ZINC000735657047 598936563 /nfs/dbraw/zinc/93/65/63/598936563.db2.gz NHUWBEKRBOWINN-UHFFFAOYSA-N -1 1 362.397 3.146 20 30 FGEDMM C[C@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735506463 599215609 /nfs/dbraw/zinc/21/56/09/599215609.db2.gz WWLDAKNBIWKWPD-SNVBAGLBSA-N -1 1 369.768 3.381 20 30 FGEDMM Cc1cccc2c1CCC2N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000737408172 598787678 /nfs/dbraw/zinc/78/76/78/598787678.db2.gz GTLUQAXQSVKXNS-UHFFFAOYSA-N -1 1 351.414 3.124 20 30 FGEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c(F)c1 ZINC000739117387 599789322 /nfs/dbraw/zinc/78/93/22/599789322.db2.gz DWFRXESZFVZSTE-HNNXBMFYSA-N -1 1 363.186 3.375 20 30 FGEDMM CCOc1cc2c(cc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1)O[C@H](C)C2 ZINC000830053938 601298337 /nfs/dbraw/zinc/29/83/37/601298337.db2.gz FLXPAMIPTAMSLA-ZUOKHONESA-N -1 1 366.417 3.196 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000827218907 601873427 /nfs/dbraw/zinc/87/34/27/601873427.db2.gz VDAUJFLWTKHUKG-LRDDRELGSA-N -1 1 363.483 3.108 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000825264651 604207169 /nfs/dbraw/zinc/20/71/69/604207169.db2.gz MLBOJUYIMDXULG-QWHCGFSZSA-N -1 1 351.834 3.110 20 30 FGEDMM CC(C)(C#N)CCCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000826072577 604358044 /nfs/dbraw/zinc/35/80/44/604358044.db2.gz XNRCOBFGRYVQPY-QGZVFWFLSA-N -1 1 363.889 3.413 20 30 FGEDMM C#CCOc1ccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000833367415 604673570 /nfs/dbraw/zinc/67/35/70/604673570.db2.gz XPEKEIWPNGCQHQ-SFHVURJKSA-N -1 1 363.335 3.374 20 30 FGEDMM C=CCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833380859 605072203 /nfs/dbraw/zinc/07/22/03/605072203.db2.gz QMSGWSIFCIPUJG-SNVBAGLBSA-N -1 1 360.222 3.395 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3cc(F)ccc32)o1 ZINC000820196720 606165473 /nfs/dbraw/zinc/16/54/73/606165473.db2.gz AQBRYGSDSUXZMF-UHFFFAOYSA-N -1 1 355.377 3.270 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c(Cl)nc2ccccn21 ZINC000822922228 606392841 /nfs/dbraw/zinc/39/28/41/606392841.db2.gz DRVJIFJZWGRFDK-GQCTYLIASA-N -1 1 356.798 3.125 20 30 FGEDMM CC(C)CCn1cccc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824248783 607887246 /nfs/dbraw/zinc/88/72/46/607887246.db2.gz BSAFQAPCQUQMCU-UHFFFAOYSA-N -1 1 356.434 3.272 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCc3ccccc32)o1 ZINC000824141661 607887520 /nfs/dbraw/zinc/88/75/20/607887520.db2.gz LVHCLPYMYIVKNL-LBPRGKRZSA-N -1 1 351.414 3.280 20 30 FGEDMM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826399748 608092819 /nfs/dbraw/zinc/09/28/19/608092819.db2.gz DVQOFFSIUGJXJL-DAFODLJHSA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826399748 608092820 /nfs/dbraw/zinc/09/28/20/608092820.db2.gz DVQOFFSIUGJXJL-DAFODLJHSA-N -1 1 361.770 3.386 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCOc3cc(F)ccc32)o1 ZINC000824352447 609372700 /nfs/dbraw/zinc/37/27/00/609372700.db2.gz DJXVSQPYPRSTMD-UHFFFAOYSA-N -1 1 371.376 3.106 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000022475077 695653913 /nfs/dbraw/zinc/65/39/13/695653913.db2.gz UMPOXJLEGATMSQ-UHFFFAOYSA-N -1 1 350.783 3.339 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153971052 705018421 /nfs/dbraw/zinc/01/84/21/705018421.db2.gz TWSLJSHEISZAKA-UHFFFAOYSA-N -1 1 361.220 3.103 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1Cl ZINC000178707393 705673939 /nfs/dbraw/zinc/67/39/39/705673939.db2.gz NEKBZNHLTUFRRT-LLVKDONJSA-N -1 1 363.826 3.383 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(Br)cn1 ZINC000794524217 723529201 /nfs/dbraw/zinc/52/92/01/723529201.db2.gz PXOGBQCPDHOUBY-UHFFFAOYSA-N -1 1 364.199 3.387 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000730995642 722472533 /nfs/dbraw/zinc/47/25/33/722472533.db2.gz HSZWTIKIFGKCPW-UHFFFAOYSA-N -1 1 371.336 3.398 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 ZINC000743418893 722567294 /nfs/dbraw/zinc/56/72/94/722567294.db2.gz MGOMAZHAIWIZGQ-CQSZACIVSA-N -1 1 362.817 3.148 20 30 FGEDMM CC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000744473103 722577419 /nfs/dbraw/zinc/57/74/19/722577419.db2.gz XCJSXRWDZCJULE-UHFFFAOYSA-N -1 1 363.822 3.321 20 30 FGEDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NCC1CC1 ZINC000755472617 722953630 /nfs/dbraw/zinc/95/36/30/722953630.db2.gz PXMZCRKBGMUONC-UHFFFAOYSA-N -1 1 360.395 3.203 20 30 FGEDMM O=C([N-]C[C@@H]1CCN(CC(F)(F)F)C1)C(F)(F)c1c(F)cccc1F ZINC000756939020 722972156 /nfs/dbraw/zinc/97/21/56/722972156.db2.gz WQPKCVKNKQVTCJ-VIFPVBQESA-N -1 1 372.284 3.057 20 30 FGEDMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1OC ZINC000757870857 722980591 /nfs/dbraw/zinc/98/05/91/722980591.db2.gz PFECUZSFPZUVIN-HNNXBMFYSA-N -1 1 366.389 3.275 20 30 FGEDMM CC#CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000760288030 723046892 /nfs/dbraw/zinc/04/68/92/723046892.db2.gz WSNLTIYZIMRGDS-UHFFFAOYSA-N -1 1 361.394 3.197 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCCc3ccc(Cl)cc32)c2ccccc21 ZINC000761254559 723137563 /nfs/dbraw/zinc/13/75/63/723137563.db2.gz PLBUIQPXWYEXIA-UHFFFAOYSA-N -1 1 359.838 3.119 20 30 FGEDMM COc1cc(C(C)=NNc2ncnc3sccc32)cc([N+](=O)[O-])c1[O-] ZINC000764668283 723435952 /nfs/dbraw/zinc/43/59/52/723435952.db2.gz ZGXTULOQMZNXMX-UHFFFAOYSA-N -1 1 359.367 3.150 20 30 FGEDMM O=C([O-])c1ccc2c(C=NNc3ccc([N+](=O)[O-])cc3Cl)n[nH]c2c1 ZINC000765572408 723524591 /nfs/dbraw/zinc/52/45/91/723524591.db2.gz QRYGRNRQDWIGSK-UHFFFAOYSA-N -1 1 359.729 3.269 20 30 FGEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795916944 723613759 /nfs/dbraw/zinc/61/37/59/723613759.db2.gz YHNXDFMGVSKQRV-JTQLQIEISA-N -1 1 363.838 3.289 20 30 FGEDMM C[C@@H]1C(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000767789584 723634327 /nfs/dbraw/zinc/63/43/27/723634327.db2.gz ZIYVKJZEJLFYEE-JSGCOSHPSA-N -1 1 359.407 3.053 20 30 FGEDMM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c(C)o1 ZINC000796791749 723655127 /nfs/dbraw/zinc/65/51/27/723655127.db2.gz HBRMMMICFSYYKQ-LLVKDONJSA-N -1 1 361.785 3.169 20 30 FGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000809752644 725265347 /nfs/dbraw/zinc/26/53/47/725265347.db2.gz UBJYYBXEJQGLCR-ABKXIKBNSA-N -1 1 365.216 3.423 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(C3CCCC3)cc2)c2ccccc21 ZINC000812224920 725391032 /nfs/dbraw/zinc/39/10/32/725391032.db2.gz WVQCFIXHBQIOTL-UHFFFAOYSA-N -1 1 353.447 3.417 20 30 FGEDMM CC(=NNCC(F)F)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814853133 727006193 /nfs/dbraw/zinc/00/61/93/727006193.db2.gz DGFPOHIXZHZMGO-UHFFFAOYSA-N -1 1 367.421 3.375 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000816166026 727133073 /nfs/dbraw/zinc/13/30/73/727133073.db2.gz HPNFIDVZBXNRMM-NSHDSACASA-N -1 1 362.298 3.138 20 30 FGEDMM CC1(C)CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO1 ZINC000841623045 730260550 /nfs/dbraw/zinc/26/05/50/730260550.db2.gz DFWRFQSXXSUBSA-UHFFFAOYSA-N -1 1 359.451 3.454 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCCC[C@@H]2CCO2)cc1 ZINC000841623408 730260557 /nfs/dbraw/zinc/26/05/57/730260557.db2.gz HQQMTRSSDIRJSB-QGZVFWFLSA-N -1 1 359.451 3.454 20 30 FGEDMM C[C@@H]1OCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1C ZINC000844579361 730737385 /nfs/dbraw/zinc/73/73/85/730737385.db2.gz BHBLOLYUNBYJHK-KGLIPLIRSA-N -1 1 359.451 3.310 20 30 FGEDMM CCCCCCCCCS(=O)(=O)[N-]c1cc(-c2nncn2C)ccn1 ZINC000844825799 730775347 /nfs/dbraw/zinc/77/53/47/730775347.db2.gz NBWPMJRCGAQQOY-UHFFFAOYSA-N -1 1 365.503 3.369 20 30 FGEDMM C=CC[C@@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000853298474 731692561 /nfs/dbraw/zinc/69/25/61/731692561.db2.gz ZZVUDHYJHZTPBU-CQSZACIVSA-N -1 1 351.428 3.137 20 30 FGEDMM N#Cc1cnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c2sccc21 ZINC000865752844 733263514 /nfs/dbraw/zinc/26/35/14/733263514.db2.gz GAPXHHGRDDVZPA-UHFFFAOYSA-N -1 1 368.384 3.063 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(OC)c2C)n1 ZINC000870174149 733820042 /nfs/dbraw/zinc/82/00/42/733820042.db2.gz GGVCFRGPWPOMQR-CYBMUJFWSA-N -1 1 358.419 3.435 20 30 FGEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN[C@H]2CCOC(C)(C)C2)cs1 ZINC000872365727 735620759 /nfs/dbraw/zinc/62/07/59/735620759.db2.gz DFYRULSCQMXSLK-NSHDSACASA-N -1 1 354.476 3.371 20 30 FGEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757775 739827396 /nfs/dbraw/zinc/82/73/96/739827396.db2.gz LKGNZJDCZUGLTA-UHFFFAOYSA-N -1 1 360.845 3.022 20 30 FGEDMM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1nc2ccccc2[nH]1 ZINC000892420051 739999069 /nfs/dbraw/zinc/99/90/69/739999069.db2.gz LTAZXRSLFCDOSI-LBPRGKRZSA-N -1 1 351.435 3.500 20 30 FGEDMM C[C@@]1(CS(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)CC1(Cl)Cl ZINC000903197716 743821356 /nfs/dbraw/zinc/82/13/56/743821356.db2.gz UDCIVTYPNYVIRN-NSHDSACASA-N -1 1 355.193 3.162 20 30 FGEDMM [O-]c1c(Br)cccc1C=NNC(=S)Nc1ccccc1 ZINC000915943136 758008428 /nfs/dbraw/zinc/00/84/28/758008428.db2.gz UEJWZPMERLHOFL-UHFFFAOYSA-N -1 1 350.241 3.475 20 30 FGEDMM CCN1C(=O)C(=NN=Cc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000916277644 758061006 /nfs/dbraw/zinc/06/10/06/758061006.db2.gz OEHRSAFQNVSLCT-UHFFFAOYSA-N -1 1 372.222 3.344 20 30 FGEDMM N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)nc1 ZINC000928717897 760245487 /nfs/dbraw/zinc/24/54/87/760245487.db2.gz TXMIHVZRAMJAKU-CQSZACIVSA-N -1 1 356.813 3.029 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000571000759 505630129 /nfs/dbraw/zinc/63/01/29/505630129.db2.gz GUYLASXSKQIESN-LLVKDONJSA-N -1 1 372.290 3.196 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)nc(C1CC1)n2C ZINC000089642332 494337291 /nfs/dbraw/zinc/33/72/91/494337291.db2.gz BQWAAFZCLLWRQE-UHFFFAOYSA-N -1 1 366.446 3.432 20 30 FGEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055563717 494362077 /nfs/dbraw/zinc/36/20/77/494362077.db2.gz VTOQCUXCTWYLBI-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000568546900 505719731 /nfs/dbraw/zinc/71/97/31/505719731.db2.gz RNVZOBNKYVDVAA-LURJTMIESA-N -1 1 369.258 3.201 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000067659755 494602510 /nfs/dbraw/zinc/60/25/10/494602510.db2.gz GJRVBYOKAYOZQR-UHFFFAOYSA-N -1 1 355.341 3.333 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000057124112 494648563 /nfs/dbraw/zinc/64/85/63/494648563.db2.gz XQARJBFDWDXYKL-UHFFFAOYSA-N -1 1 361.419 3.214 20 30 FGEDMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1OC ZINC000123722717 495176935 /nfs/dbraw/zinc/17/69/35/495176935.db2.gz KHPPRBGYSJCMQQ-UHFFFAOYSA-N -1 1 370.789 3.169 20 30 FGEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000184037624 496213289 /nfs/dbraw/zinc/21/32/89/496213289.db2.gz BJQUQHZEFYSIKU-CQSZACIVSA-N -1 1 372.446 3.019 20 30 FGEDMM C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000188473177 496801129 /nfs/dbraw/zinc/80/11/29/496801129.db2.gz NFOUGOWJJOJHSN-JXFKEZNVSA-N -1 1 363.461 3.389 20 30 FGEDMM CC(C)(C)S(=O)(=O)Cc1cccc(/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000264721569 496971270 /nfs/dbraw/zinc/97/12/70/496971270.db2.gz AIVPCSZMUAWHQL-VXLYETTFSA-N -1 1 363.435 3.267 20 30 FGEDMM C#CC[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000270434620 497127515 /nfs/dbraw/zinc/12/75/15/497127515.db2.gz IUUKWKNZTKHURT-INIZCTEOSA-N -1 1 355.463 3.026 20 30 FGEDMM N#Cc1ccc(Cc2cnc(NC([O-])=NO[C@@H]3CCCCO3)s2)cc1 ZINC000274730416 497153937 /nfs/dbraw/zinc/15/39/37/497153937.db2.gz HFVVXXGICAEGIK-OAHLLOKOSA-N -1 1 358.423 3.185 20 30 FGEDMM N#Cc1ccc(Cc2cnc(NC(=O)[N-]O[C@@H]3CCCCO3)s2)cc1 ZINC000274730416 497153940 /nfs/dbraw/zinc/15/39/40/497153940.db2.gz HFVVXXGICAEGIK-OAHLLOKOSA-N -1 1 358.423 3.185 20 30 FGEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000192935471 497252355 /nfs/dbraw/zinc/25/23/55/497252355.db2.gz CAWOMTIVAYNZGM-QGZVFWFLSA-N -1 1 355.825 3.068 20 30 FGEDMM CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000189907714 497288688 /nfs/dbraw/zinc/28/86/88/497288688.db2.gz NGNJWINGBMZKFF-UHFFFAOYSA-N -1 1 366.417 3.260 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC#N)cc2)cc1C ZINC000273163479 497805453 /nfs/dbraw/zinc/80/54/53/497805453.db2.gz URMYQMPZWULOOU-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM Cc1ccc(CS(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c(F)c1 ZINC000572330748 505942983 /nfs/dbraw/zinc/94/29/83/505942983.db2.gz HJOSTNUBZAUEIL-UHFFFAOYSA-N -1 1 361.442 3.322 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1F ZINC000578855770 506037729 /nfs/dbraw/zinc/03/77/29/506037729.db2.gz WFGSOMMYUKVRGL-UHFFFAOYSA-N -1 1 356.325 3.142 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000297840125 498583775 /nfs/dbraw/zinc/58/37/75/498583775.db2.gz RGISVTBGGPITIH-GFCCVEGCSA-N -1 1 363.227 3.302 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1Br ZINC000314040337 498774276 /nfs/dbraw/zinc/77/42/76/498774276.db2.gz ZSDTWLOQNMWDJQ-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])[C@H]1CC12CCCC2 ZINC000329129921 499051412 /nfs/dbraw/zinc/05/14/12/499051412.db2.gz WNHAGWCJZWKOFL-CYBMUJFWSA-N -1 1 350.440 3.001 20 30 FGEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccccc1 ZINC000429598910 500110767 /nfs/dbraw/zinc/11/07/67/500110767.db2.gz REEVKPURHDMXMO-OAHLLOKOSA-N -1 1 356.389 3.251 20 30 FGEDMM N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000573409526 506189568 /nfs/dbraw/zinc/18/95/68/506189568.db2.gz SOONAIHTVHJFBR-UHFFFAOYSA-N -1 1 370.768 3.376 20 30 FGEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427104722 500354220 /nfs/dbraw/zinc/35/42/20/500354220.db2.gz QEDZYFDZMPLZNC-UHFFFAOYSA-N -1 1 361.398 3.155 20 30 FGEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)[nH]n1 ZINC000427249882 500373540 /nfs/dbraw/zinc/37/35/40/500373540.db2.gz OYEGVFDPEHBAEP-UHFFFAOYSA-N -1 1 356.382 3.197 20 30 FGEDMM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431621900 500399518 /nfs/dbraw/zinc/39/95/18/500399518.db2.gz NAEHBWXQQWQZGA-CQSZACIVSA-N -1 1 356.781 3.496 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-][C@@](C)(c2ccccc2)C(F)(F)F)cc1C#N ZINC000427777721 500431457 /nfs/dbraw/zinc/43/14/57/500431457.db2.gz IAUCJMBJEOYHJP-HNNXBMFYSA-N -1 1 369.368 3.018 20 30 FGEDMM Cn1ccnc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000442895972 500642963 /nfs/dbraw/zinc/64/29/63/500642963.db2.gz FTENZEOVFBEZIW-QGZVFWFLSA-N -1 1 366.808 3.170 20 30 FGEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(Cl)ccc3[O-])C2)c(F)c1 ZINC000436792727 501212813 /nfs/dbraw/zinc/21/28/13/501212813.db2.gz PJNFVGHUCKZUNJ-CQSZACIVSA-N -1 1 373.815 3.455 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)ccc1Cl ZINC000486570612 502193320 /nfs/dbraw/zinc/19/33/20/502193320.db2.gz JVEAASMFVXZTLZ-UHFFFAOYSA-N -1 1 350.762 3.028 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000486769629 502255501 /nfs/dbraw/zinc/25/55/01/502255501.db2.gz GPHKAWGJIZJTJP-UHFFFAOYSA-N -1 1 374.372 3.336 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)c1 ZINC000479535928 502289856 /nfs/dbraw/zinc/28/98/56/502289856.db2.gz AVSFFSHANKQJMO-UHFFFAOYSA-N -1 1 370.430 3.458 20 30 FGEDMM CC(C)C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000476335829 502460800 /nfs/dbraw/zinc/46/08/00/502460800.db2.gz RLFPJVHGBLWXLH-OAHLLOKOSA-N -1 1 372.531 3.136 20 30 FGEDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)o1 ZINC000497535905 502982530 /nfs/dbraw/zinc/98/25/30/502982530.db2.gz OKCCZUJJTZNCIO-UHFFFAOYSA-N -1 1 364.448 3.137 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)C#N)ccc2C)c1 ZINC000510351647 503097744 /nfs/dbraw/zinc/09/77/44/503097744.db2.gz HQVGHXKJGLIMGW-AWEZNQCLSA-N -1 1 357.435 3.202 20 30 FGEDMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000510507759 503128065 /nfs/dbraw/zinc/12/80/65/503128065.db2.gz KLSUTPCEMLSNTJ-UHFFFAOYSA-N -1 1 365.270 3.465 20 30 FGEDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)n1 ZINC000504075032 503518270 /nfs/dbraw/zinc/51/82/70/503518270.db2.gz XKFMMELYQGTQMI-UHFFFAOYSA-N -1 1 353.363 3.181 20 30 FGEDMM C=CCCc1ccccc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000504284332 503549059 /nfs/dbraw/zinc/54/90/59/503549059.db2.gz NVYUBORDSQKCLT-UHFFFAOYSA-N -1 1 374.444 3.440 20 30 FGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000517724844 503818724 /nfs/dbraw/zinc/81/87/24/503818724.db2.gz CGQGGNDUJPTIPJ-UHFFFAOYSA-N -1 1 374.418 3.073 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1-c1ccccc1 ZINC000534682806 504214683 /nfs/dbraw/zinc/21/46/83/504214683.db2.gz MGXMSTJSAIHJJX-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1-c1ccccc1 ZINC000559709564 504912141 /nfs/dbraw/zinc/91/21/41/504912141.db2.gz RMHHHNGXCYUGBB-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM CC[C@](NC(=O)c1ccc(C#N)c([O-])c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553481416 504927483 /nfs/dbraw/zinc/92/74/83/504927483.db2.gz NFQNBCWEWIWWSH-LJQANCHMSA-N -1 1 372.808 3.126 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000560448626 505088651 /nfs/dbraw/zinc/08/86/51/505088651.db2.gz FWKUQJGRXUWAEN-UHFFFAOYSA-N -1 1 370.430 3.411 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCCC2)o1 ZINC000557840836 505244154 /nfs/dbraw/zinc/24/41/54/505244154.db2.gz CKZQKAVVOITLKX-UHFFFAOYSA-N -1 1 352.362 3.177 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000564063768 505316253 /nfs/dbraw/zinc/31/62/53/505316253.db2.gz RWEBFKBLNMKLOG-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000589169714 506469297 /nfs/dbraw/zinc/46/92/97/506469297.db2.gz HVFKQYBQGZSMOW-UHFFFAOYSA-N -1 1 371.396 3.446 20 30 FGEDMM COc1ccc(CC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000589175554 506471329 /nfs/dbraw/zinc/47/13/29/506471329.db2.gz QNYYPLSSLRAFHK-UHFFFAOYSA-N -1 1 350.418 3.367 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2csc(CCc3ccccc3)n2)c1 ZINC000589189372 506475848 /nfs/dbraw/zinc/47/58/48/506475848.db2.gz OKBSMWKSARRGLE-UHFFFAOYSA-N -1 1 363.442 3.436 20 30 FGEDMM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589193979 506477413 /nfs/dbraw/zinc/47/74/13/506477413.db2.gz NFIVDWDZIAIGOZ-HXUWFJFHSA-N -1 1 360.417 3.249 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc2cccnc21 ZINC000589978416 506693634 /nfs/dbraw/zinc/69/36/34/506693634.db2.gz WTCHCLOSHUBGHS-UHFFFAOYSA-N -1 1 353.403 3.110 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c1 ZINC000597879227 507152340 /nfs/dbraw/zinc/15/23/40/507152340.db2.gz WPNZVEXKJQUSDH-ZDUSSCGKSA-N -1 1 355.825 3.174 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 ZINC000614297886 507446138 /nfs/dbraw/zinc/44/61/38/507446138.db2.gz NHFRDGNMJMUBRQ-UHFFFAOYSA-N -1 1 350.418 3.333 20 30 FGEDMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614300665 507446862 /nfs/dbraw/zinc/44/68/62/507446862.db2.gz QVOIQTPDAIVYCM-FXAWDEMLSA-N -1 1 350.418 3.470 20 30 FGEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c(F)c1 ZINC000610970834 507459864 /nfs/dbraw/zinc/45/98/64/507459864.db2.gz OYUVZRVNQNKQEX-INIZCTEOSA-N -1 1 366.389 3.297 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c(Cl)c1 ZINC000601963326 507531287 /nfs/dbraw/zinc/53/12/87/507531287.db2.gz RIQRUGRLXNGZTM-UHFFFAOYSA-N -1 1 350.831 3.324 20 30 FGEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2[C@H](C)C1 ZINC000598837403 507628532 /nfs/dbraw/zinc/62/85/32/507628532.db2.gz DKAJWQQMRYCRNL-NXEZZACHSA-N -1 1 358.471 3.299 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccncc2OCc2ccccc2)c1 ZINC000586858685 507696025 /nfs/dbraw/zinc/69/60/25/507696025.db2.gz WYRKGKHQBRGFBB-UHFFFAOYSA-N -1 1 359.385 3.168 20 30 FGEDMM N#Cc1ccc(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)cc1[O-] ZINC000586875399 507701355 /nfs/dbraw/zinc/70/13/55/507701355.db2.gz DUKLJAJVJDSLJU-SFHVURJKSA-N -1 1 361.401 3.118 20 30 FGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000819857621 598224384 /nfs/dbraw/zinc/22/43/84/598224384.db2.gz ZBNQOUZIOCFYSG-LJQANCHMSA-N -1 1 366.352 3.312 20 30 FGEDMM Cc1cc(F)ccc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735450887 598545684 /nfs/dbraw/zinc/54/56/84/598545684.db2.gz IOSXGBJOAOKZDU-UHFFFAOYSA-N -1 1 357.393 3.436 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCOc3ccccc32)o1 ZINC000735655480 598641534 /nfs/dbraw/zinc/64/15/34/598641534.db2.gz AHMOCTZYKGKJEO-UHFFFAOYSA-N -1 1 367.413 3.141 20 30 FGEDMM Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738902167 600591614 /nfs/dbraw/zinc/59/16/14/600591614.db2.gz HUPOHTQVGZCCBZ-HXUWFJFHSA-N -1 1 360.417 3.276 20 30 FGEDMM N#Cc1ccc([C@H](NCc2ccc(OC3CCCC3)nc2)C(=O)[O-])cc1 ZINC000739108895 600595080 /nfs/dbraw/zinc/59/50/80/600595080.db2.gz XZFRLGRICROFAY-IBGZPJMESA-N -1 1 351.406 3.190 20 30 FGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000833071382 604508219 /nfs/dbraw/zinc/50/82/19/604508219.db2.gz GMXFFBQFZAXLBI-LJQANCHMSA-N -1 1 369.852 3.155 20 30 FGEDMM N#CCOc1ccc(Cl)cc1CN1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833966613 605895142 /nfs/dbraw/zinc/89/51/42/605895142.db2.gz IIYZEYVLJSHGAX-UHFFFAOYSA-N -1 1 363.845 3.208 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819729603 606813890 /nfs/dbraw/zinc/81/38/90/606813890.db2.gz JGXHMDAMSYOPHO-LLVKDONJSA-N -1 1 353.357 3.102 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819729603 606813892 /nfs/dbraw/zinc/81/38/92/606813892.db2.gz JGXHMDAMSYOPHO-LLVKDONJSA-N -1 1 353.357 3.102 20 30 FGEDMM N#Cc1ccccc1-c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826387390 608295106 /nfs/dbraw/zinc/29/51/06/608295106.db2.gz SOJPQHMGRVDPBV-UHFFFAOYSA-N -1 1 353.389 3.412 20 30 FGEDMM N#Cc1ccccc1-c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826387390 608295108 /nfs/dbraw/zinc/29/51/08/608295108.db2.gz SOJPQHMGRVDPBV-UHFFFAOYSA-N -1 1 353.389 3.412 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000076935548 700243957 /nfs/dbraw/zinc/24/39/57/700243957.db2.gz SFHXUEKQNYVVJT-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM C#CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000156328205 705111572 /nfs/dbraw/zinc/11/15/72/705111572.db2.gz KSLPNHGWVULQGJ-UHFFFAOYSA-N -1 1 356.447 3.021 20 30 FGEDMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000525624541 714363780 /nfs/dbraw/zinc/36/37/80/714363780.db2.gz CJFBLTNGNKORNY-UHFFFAOYSA-N -1 1 353.407 3.349 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)n[nH]c1-c1ccccc1 ZINC000619569703 714853507 /nfs/dbraw/zinc/85/35/07/714853507.db2.gz XNPHAJLUAHCHAK-UHFFFAOYSA-N -1 1 352.419 3.252 20 30 FGEDMM CSc1ccccc1CC(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000782901391 724707659 /nfs/dbraw/zinc/70/76/59/724707659.db2.gz GBHMIWDSPLJGAC-UHFFFAOYSA-N -1 1 359.476 3.066 20 30 FGEDMM C=C(C)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000729068636 722456828 /nfs/dbraw/zinc/45/68/28/722456828.db2.gz DJTLUUBDPZEBAD-UHFFFAOYSA-N -1 1 367.373 3.499 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2nc(-c3cccc(Br)c3)c[nH]2)n1 ZINC000731922599 722479374 /nfs/dbraw/zinc/47/93/74/722479374.db2.gz JQNHHYLDGBUWKD-UHFFFAOYSA-N -1 1 373.214 3.089 20 30 FGEDMM C#C[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000744181111 722574323 /nfs/dbraw/zinc/57/43/23/722574323.db2.gz GBWPFHOGAIBOJP-ZDUSSCGKSA-N -1 1 361.394 3.113 20 30 FGEDMM CC(CCc1ccccc1F)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748254855 722681765 /nfs/dbraw/zinc/68/17/65/722681765.db2.gz JTAIKBNRODKLJA-UHFFFAOYSA-N -1 1 365.386 3.021 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C#N ZINC000751547274 722812805 /nfs/dbraw/zinc/81/28/05/722812805.db2.gz CRPCKUCZJVQHQX-UHFFFAOYSA-N -1 1 359.407 3.236 20 30 FGEDMM COC[C@@H](C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000756227015 722961983 /nfs/dbraw/zinc/96/19/83/722961983.db2.gz NIYJCSYLHGPGDZ-JQWIXIFHSA-N -1 1 359.451 3.125 20 30 FGEDMM O=[N+]([O-])c1cccc(NN=Cc2cc(O)c([O-])c(Br)c2)c1 ZINC000757562156 722977045 /nfs/dbraw/zinc/97/70/45/722977045.db2.gz YSILLIQDSOIEEG-UHFFFAOYSA-N -1 1 352.144 3.215 20 30 FGEDMM CCSc1ccccc1C(C)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000759653363 723014461 /nfs/dbraw/zinc/01/44/61/723014461.db2.gz ODQASWNQRRGWDX-UHFFFAOYSA-N -1 1 359.476 3.261 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(Cl)n1 ZINC000760325021 723048852 /nfs/dbraw/zinc/04/88/52/723048852.db2.gz GIDAOPHJIUQPIX-UHFFFAOYSA-N -1 1 358.206 3.069 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)cc1 ZINC000790052078 723099764 /nfs/dbraw/zinc/09/97/64/723099764.db2.gz CTTLEHWKROIUFB-UHFFFAOYSA-N -1 1 354.431 3.300 20 30 FGEDMM O=C([O-])c1ccc(N=NC2CCN(Cc3ccccc3Cl)CC2)nc1 ZINC000763376673 723338387 /nfs/dbraw/zinc/33/83/87/723338387.db2.gz FXJKEWQKQMMLPS-UHFFFAOYSA-N -1 1 358.829 3.497 20 30 FGEDMM CC(C)C1CCC(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000794916279 723551637 /nfs/dbraw/zinc/55/16/37/723551637.db2.gz VLFDSEPFQXIJCK-UHFFFAOYSA-N -1 1 353.444 3.321 20 30 FGEDMM C#C[C@@H](CC)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000768050124 723644813 /nfs/dbraw/zinc/64/48/13/723644813.db2.gz PBSFCFRMOOKOHJ-INIZCTEOSA-N -1 1 357.431 3.364 20 30 FGEDMM CC(C)(C)c1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000769821205 723696940 /nfs/dbraw/zinc/69/69/40/723696940.db2.gz UPLQPQYXYUZFFT-UHFFFAOYSA-N -1 1 367.452 3.266 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(C)C ZINC000798472640 723935270 /nfs/dbraw/zinc/93/52/70/723935270.db2.gz PQPGQKSSDBNYNA-LLVKDONJSA-N -1 1 368.655 3.178 20 30 FGEDMM CC(=Nn1c(=S)[n-]nc1SCc1ccccc1)c1cnn(C)c1C ZINC000778540430 724342299 /nfs/dbraw/zinc/34/22/99/724342299.db2.gz OGOOPOHQWICLNR-UHFFFAOYSA-N -1 1 358.496 3.173 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000785399020 724910782 /nfs/dbraw/zinc/91/07/82/724910782.db2.gz QPCNZVDJZWCHIQ-CYBMUJFWSA-N -1 1 368.245 3.226 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000805078396 725048464 /nfs/dbraw/zinc/04/84/64/725048464.db2.gz AVTCCKHVFTVFIY-NSHDSACASA-N -1 1 373.217 3.260 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N=S(C)(C)=O)cc1 ZINC000821112093 729059375 /nfs/dbraw/zinc/05/93/75/729059375.db2.gz ZJMQKRQPBMEBNI-UHFFFAOYSA-N -1 1 363.464 3.027 20 30 FGEDMM C#C[C@H](CCC)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836746097 729968078 /nfs/dbraw/zinc/96/80/78/729968078.db2.gz ULPOOARJIFAZCM-CYBMUJFWSA-N -1 1 355.360 3.097 20 30 FGEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841541869 730254418 /nfs/dbraw/zinc/25/44/18/730254418.db2.gz ANDKVVHYDJFXLY-UHFFFAOYSA-N -1 1 366.226 3.120 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(OC(F)F)ccc2Br)n1 ZINC000864968791 733121714 /nfs/dbraw/zinc/12/17/14/733121714.db2.gz MJLWQNLNTUNDRS-UHFFFAOYSA-N -1 1 373.157 3.301 20 30 FGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)c1 ZINC000870138493 733815599 /nfs/dbraw/zinc/81/55/99/733815599.db2.gz LTUVIEXQLWFKLV-ZDUSSCGKSA-N -1 1 357.435 3.410 20 30 FGEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=Nn2cc(Br)cn2)cs1 ZINC000872359377 735619507 /nfs/dbraw/zinc/61/95/07/735619507.db2.gz BUEHJUGODGNNJV-UHFFFAOYSA-N -1 1 372.248 3.331 20 30 FGEDMM CC#CC[C@@H](NCc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC000904057766 743921605 /nfs/dbraw/zinc/92/16/05/743921605.db2.gz BHBBELICJHOLKN-MRXNPFEDSA-N -1 1 359.857 3.407 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000905546564 744031615 /nfs/dbraw/zinc/03/16/15/744031615.db2.gz NJUHLVNIVNXAEF-GFCCVEGCSA-N -1 1 363.227 3.302 20 30 FGEDMM CCCCc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914600331 757809960 /nfs/dbraw/zinc/80/99/60/757809960.db2.gz RKZHBCABGHXPGQ-UHFFFAOYSA-N -1 1 355.463 3.492 20 30 FGEDMM C=CCN1C(=O)N[C@H](c2ccc([O-])c(Cl)c2)C(C(=O)OCC)=C1C ZINC000921294737 758681569 /nfs/dbraw/zinc/68/15/69/758681569.db2.gz NNMAROZMRIWVCY-OAHLLOKOSA-N -1 1 350.802 3.135 20 30 FGEDMM O=C(COc1ccc(Br)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036714193 208171856 /nfs/dbraw/zinc/17/18/56/208171856.db2.gz JJNQIASGNUYNBI-UHFFFAOYSA-N -1 1 365.109 3.253 20 30 FGEDMM CC(C)n1c(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068446989 493822093 /nfs/dbraw/zinc/82/20/93/493822093.db2.gz WZFVQPFFGSOPHT-UHFFFAOYSA-N -1 1 369.494 3.342 20 30 FGEDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2n1C ZINC000083577615 494023609 /nfs/dbraw/zinc/02/36/09/494023609.db2.gz BNTFVFUPBPYYMY-UHFFFAOYSA-N -1 1 360.826 3.208 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2)cc1 ZINC000053077779 494090486 /nfs/dbraw/zinc/09/04/86/494090486.db2.gz SIKTVPNDQVAGAN-HNNXBMFYSA-N -1 1 371.462 3.028 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1 ZINC000036760483 494097575 /nfs/dbraw/zinc/09/75/75/494097575.db2.gz QINSRVOLKSGTFM-UHFFFAOYSA-N -1 1 365.414 3.333 20 30 FGEDMM CN(C)c1nc2sc(C(=O)[N-]c3n[nH]c(-c4ccccn4)n3)cc2s1 ZINC000065061158 494169520 /nfs/dbraw/zinc/16/95/20/494169520.db2.gz PZOYSPGPNZDDHU-UHFFFAOYSA-N -1 1 371.451 3.240 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000131534581 494649985 /nfs/dbraw/zinc/64/99/85/494649985.db2.gz YOECAKUQYMLOJO-UHFFFAOYSA-N -1 1 360.288 3.223 20 30 FGEDMM C=CCOc1ccc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000067898003 494687230 /nfs/dbraw/zinc/68/72/30/494687230.db2.gz FVYMNPHZBUYMEK-AWEZNQCLSA-N -1 1 356.403 3.375 20 30 FGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000047534041 494728662 /nfs/dbraw/zinc/72/86/62/494728662.db2.gz KADHGJCIAVWEDL-HNNXBMFYSA-N -1 1 371.462 3.109 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000126897610 494858470 /nfs/dbraw/zinc/85/84/70/494858470.db2.gz DODSCIFZYJZLKR-UHFFFAOYSA-N -1 1 366.324 3.254 20 30 FGEDMM CCC[C@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094079645 494946367 /nfs/dbraw/zinc/94/63/67/494946367.db2.gz DTZRNSZBNGCTPQ-OAHLLOKOSA-N -1 1 373.359 3.345 20 30 FGEDMM CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000127479941 494950622 /nfs/dbraw/zinc/95/06/22/494950622.db2.gz IOIJYBNBMZEZBS-IBGZPJMESA-N -1 1 371.462 3.218 20 30 FGEDMM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)n1 ZINC000122273707 494950747 /nfs/dbraw/zinc/95/07/47/494950747.db2.gz AGIUXFVQCUKROM-CQSZACIVSA-N -1 1 367.883 3.406 20 30 FGEDMM CCCOc1c(C=CC(=O)c2c([O-])cc(C)oc2=O)cccc1OCC ZINC000111690972 495095946 /nfs/dbraw/zinc/09/59/46/495095946.db2.gz FHRSASUEDFXZFR-QZEKMECESA-N -1 1 358.390 3.102 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 ZINC000101850280 495102838 /nfs/dbraw/zinc/10/28/38/495102838.db2.gz HYIJXWBXWVKPQF-UHFFFAOYSA-N -1 1 365.418 3.022 20 30 FGEDMM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129555377 495261339 /nfs/dbraw/zinc/26/13/39/495261339.db2.gz CELXRXDPYIBIFM-UHFFFAOYSA-N -1 1 369.812 3.148 20 30 FGEDMM CCCCOc1cc(C=CC(=O)c2c([O-])cc(C)oc2=O)ccc1OC ZINC000138341775 495459597 /nfs/dbraw/zinc/45/95/97/495459597.db2.gz ARBANNWXXZTDKV-FNQPIQQGSA-N -1 1 358.390 3.102 20 30 FGEDMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)n1 ZINC000115312515 495488614 /nfs/dbraw/zinc/48/86/14/495488614.db2.gz BKISPZSVWHVQEP-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM CCOC(=O)C(=C([O-])CSc1cccc(C#N)c1)c1nc(C)cs1 ZINC000158677626 495564224 /nfs/dbraw/zinc/56/42/24/495564224.db2.gz KTGSHZIGHFBZID-OAHLLOKOSA-N -1 1 360.460 3.331 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000185701935 495688151 /nfs/dbraw/zinc/68/81/51/495688151.db2.gz UHOLLQFBOIXVJU-ZDUSSCGKSA-N -1 1 364.389 3.212 20 30 FGEDMM C=C(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000161014164 496085903 /nfs/dbraw/zinc/08/59/03/496085903.db2.gz BWYGLLLODDWOQI-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000156554559 496277697 /nfs/dbraw/zinc/27/76/97/496277697.db2.gz JVPDNQQQDJJJCO-AWEZNQCLSA-N -1 1 358.316 3.279 20 30 FGEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590896 496356405 /nfs/dbraw/zinc/35/64/05/496356405.db2.gz KHZBWLSKFFHETH-CQSZACIVSA-N -1 1 371.462 3.196 20 30 FGEDMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1)C(=O)[O-] ZINC000184904543 496579196 /nfs/dbraw/zinc/57/91/96/496579196.db2.gz DWUOVGIDVXSERO-HNNXBMFYSA-N -1 1 372.446 3.321 20 30 FGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000179029336 496650511 /nfs/dbraw/zinc/65/05/11/496650511.db2.gz KGABVGGBFKOSQE-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1Cl ZINC000188136531 496698064 /nfs/dbraw/zinc/69/80/64/496698064.db2.gz FLFHVHZYSDFDRA-UHFFFAOYSA-N -1 1 360.826 3.315 20 30 FGEDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N(CCC#N)c1ccccc1 ZINC000188149850 496702544 /nfs/dbraw/zinc/70/25/44/496702544.db2.gz AEAGYSYASREQLJ-ZDUSSCGKSA-N -1 1 368.462 3.487 20 30 FGEDMM N#Cc1ccc(NC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1Cl ZINC000569157485 505865171 /nfs/dbraw/zinc/86/51/71/505865171.db2.gz RAWZQFLMVZRUPM-UHFFFAOYSA-N -1 1 370.768 3.376 20 30 FGEDMM C[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188742427 496894097 /nfs/dbraw/zinc/89/40/97/496894097.db2.gz KKGPTXOTFNMANJ-LLVKDONJSA-N -1 1 359.223 3.387 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C(C)C)cc1 ZINC000264608560 496942417 /nfs/dbraw/zinc/94/24/17/496942417.db2.gz HECZJCZJPXYMEA-SFHVURJKSA-N -1 1 371.462 3.074 20 30 FGEDMM COc1ccccc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccn1 ZINC000189055150 496993540 /nfs/dbraw/zinc/99/35/40/496993540.db2.gz YSPFGQXYUNPIEZ-FQEVSTJZSA-N -1 1 359.385 3.187 20 30 FGEDMM CC(C)(C#N)CCCCS(=O)(=O)c1n[n-]c(-c2ccccc2F)n1 ZINC000278192798 497033412 /nfs/dbraw/zinc/03/34/12/497033412.db2.gz MUMGTDCHGSDKSM-UHFFFAOYSA-N -1 1 350.419 3.105 20 30 FGEDMM CCOc1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1OCC ZINC000189808966 497251809 /nfs/dbraw/zinc/25/18/09/497251809.db2.gz VWLRTGUAYGROTF-UHFFFAOYSA-N -1 1 354.406 3.034 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1[O-] ZINC000190811415 497611168 /nfs/dbraw/zinc/61/11/68/497611168.db2.gz YJTNDGXZNVWXAU-UHFFFAOYSA-N -1 1 363.417 3.323 20 30 FGEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000194247498 497613032 /nfs/dbraw/zinc/61/30/32/497613032.db2.gz BLEFMTWXOJCZBD-UHFFFAOYSA-N -1 1 352.390 3.164 20 30 FGEDMM O=C(COCC(F)(F)F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000272571978 497666702 /nfs/dbraw/zinc/66/67/02/497666702.db2.gz JTGQECPGFOJHGT-JTQLQIEISA-N -1 1 351.193 3.263 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC#N)ccc2C)c1 ZINC000194671258 497734802 /nfs/dbraw/zinc/73/48/02/497734802.db2.gz MQBDZQZVHQJTJT-HNNXBMFYSA-N -1 1 371.462 3.136 20 30 FGEDMM COc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000330218863 498066324 /nfs/dbraw/zinc/06/63/24/498066324.db2.gz JSQMRNTYNBDUAH-XUJVJEKNSA-N -1 1 368.817 3.025 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@H](C)[C@H](C)CC4)nn21 ZINC000297987216 498630420 /nfs/dbraw/zinc/63/04/20/498630420.db2.gz XNGWMPFDXGBBAP-MWLCHTKSSA-N -1 1 366.450 3.304 20 30 FGEDMM O=C([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@H](F)C(F)(F)F ZINC000290932552 498727466 /nfs/dbraw/zinc/72/74/66/498727466.db2.gz SGCFGGUAIYJGFS-IUCAKERBSA-N -1 1 367.648 3.409 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1)C1CC1 ZINC000295252846 498955991 /nfs/dbraw/zinc/95/59/91/498955991.db2.gz WXCKDVMFBOETLI-UHFFFAOYSA-N -1 1 369.446 3.183 20 30 FGEDMM CCOc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000299128761 498972907 /nfs/dbraw/zinc/97/29/07/498972907.db2.gz OFCSIBVVJYMNJL-UHFFFAOYSA-N -1 1 372.450 3.054 20 30 FGEDMM CCCc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410340472 499656054 /nfs/dbraw/zinc/65/60/54/499656054.db2.gz OEOAXPLVOIIQIT-UHFFFAOYSA-N -1 1 358.345 3.053 20 30 FGEDMM C[C@@H]1Cc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(C#N)c2[C@@H](C)C1 ZINC000411025255 499690781 /nfs/dbraw/zinc/69/07/81/499690781.db2.gz ZZOGXYMXVAJEMS-IUCAKERBSA-N -1 1 359.411 3.200 20 30 FGEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1Cc1ccccc1 ZINC000429580225 500107296 /nfs/dbraw/zinc/10/72/96/500107296.db2.gz UAZJSGGTGVUZTG-MRXNPFEDSA-N -1 1 370.416 3.310 20 30 FGEDMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2s1 ZINC000430977963 500316660 /nfs/dbraw/zinc/31/66/60/500316660.db2.gz MWLWZMOUJZWFEW-UHFFFAOYSA-N -1 1 359.432 3.286 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424062596 500445499 /nfs/dbraw/zinc/44/54/99/500445499.db2.gz HBXQPNCBGZJZCI-ZDUSSCGKSA-N -1 1 354.497 3.249 20 30 FGEDMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000447254894 500580424 /nfs/dbraw/zinc/58/04/24/500580424.db2.gz DKKOXCXBSJOEKW-UHFFFAOYSA-N -1 1 372.450 3.117 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1[O-] ZINC000442898495 500644218 /nfs/dbraw/zinc/64/42/18/500644218.db2.gz LKSXUQIWPZMTTE-UHFFFAOYSA-N -1 1 358.781 3.009 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1F ZINC000447781722 500660262 /nfs/dbraw/zinc/66/02/62/500660262.db2.gz DDZPJQHSOVWSCE-UHFFFAOYSA-N -1 1 360.288 3.239 20 30 FGEDMM Cc1cc(-c2noc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)ccc1F ZINC000443065431 500672367 /nfs/dbraw/zinc/67/23/67/500672367.db2.gz ZUIWPIZFKDUZGO-NSHDSACASA-N -1 1 366.352 3.252 20 30 FGEDMM CC1(C)[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1OCc1ccccc1 ZINC000443125841 500684696 /nfs/dbraw/zinc/68/46/96/500684696.db2.gz XCMPLAILJYIQBT-OALUTQOASA-N -1 1 350.418 3.378 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(NC(C)=O)c2C)n1 ZINC000443519702 500733522 /nfs/dbraw/zinc/73/35/22/500733522.db2.gz IHTSFGBOTQRFSW-ZDUSSCGKSA-N -1 1 371.418 3.077 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)ccc1C#N ZINC000435728916 501018888 /nfs/dbraw/zinc/01/88/88/501018888.db2.gz RQOZNSHQBRIOMC-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)C#N)cc1 ZINC000611688077 506256903 /nfs/dbraw/zinc/25/69/03/506256903.db2.gz AHPJULCLIUOJGE-UHFFFAOYSA-N -1 1 371.462 3.075 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000465465346 502271818 /nfs/dbraw/zinc/27/18/18/502271818.db2.gz KCOSKUXQUZJXNL-ZDUSSCGKSA-N -1 1 362.426 3.239 20 30 FGEDMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475786444 502292236 /nfs/dbraw/zinc/29/22/36/502292236.db2.gz ICRCBMNNESAKTK-UHFFFAOYSA-N -1 1 372.450 3.083 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000462066915 502292575 /nfs/dbraw/zinc/29/25/75/502292575.db2.gz KYYRYVZDROMUQS-INIZCTEOSA-N -1 1 358.423 3.374 20 30 FGEDMM C[C@@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccc(C#N)c1 ZINC000462235230 502362639 /nfs/dbraw/zinc/36/26/39/502362639.db2.gz DUIMOXCPOPBDSR-LLVKDONJSA-N -1 1 352.344 3.391 20 30 FGEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000476419513 502484507 /nfs/dbraw/zinc/48/45/07/502484507.db2.gz SOPJPXZORPPXQP-GJZGRUSLSA-N -1 1 372.531 3.136 20 30 FGEDMM CN(CCc1cccc(Br)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000462838107 502595332 /nfs/dbraw/zinc/59/53/32/502595332.db2.gz XXGLLLOVGJJCGA-UHFFFAOYSA-N -1 1 359.223 3.341 20 30 FGEDMM C=C(C)CNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000488586955 502758055 /nfs/dbraw/zinc/75/80/55/502758055.db2.gz XBAWDXRZJVRJJB-UHFFFAOYSA-N -1 1 373.478 3.205 20 30 FGEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000514888897 503218955 /nfs/dbraw/zinc/21/89/55/503218955.db2.gz WLCVERJHFSSAMT-ZDUSSCGKSA-N -1 1 363.252 3.195 20 30 FGEDMM CC#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000498610934 503226047 /nfs/dbraw/zinc/22/60/47/503226047.db2.gz WAZLGBIXVTXLRZ-UHFFFAOYSA-N -1 1 374.437 3.078 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC#N)ccc2C)cc1 ZINC000512114155 503460931 /nfs/dbraw/zinc/46/09/31/503460931.db2.gz TWSDLRVCARHRAO-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM N#CCCN(C(=O)CCC(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000532267163 504591541 /nfs/dbraw/zinc/59/15/41/504591541.db2.gz MTSHGFLNTLDOOG-UHFFFAOYSA-N -1 1 355.369 3.197 20 30 FGEDMM N#C[C@@H](C(=O)c1ccsn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000560361052 505058753 /nfs/dbraw/zinc/05/87/53/505058753.db2.gz VINGWQXTAHHEND-VIFPVBQESA-N -1 1 356.432 3.222 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)ccc1C#N ZINC000560447929 505088370 /nfs/dbraw/zinc/08/83/70/505088370.db2.gz WQRMKQJRUMMWMJ-UHFFFAOYSA-N -1 1 370.430 3.411 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000557783623 505230281 /nfs/dbraw/zinc/23/02/81/505230281.db2.gz NGLWTHZVPPPNQC-GOSISDBHSA-N -1 1 366.442 3.456 20 30 FGEDMM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1C(=O)[O-] ZINC000564843333 505535396 /nfs/dbraw/zinc/53/53/96/505535396.db2.gz MBHYNVMNZLDERF-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#CCC[C@@H](C#N)CNCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000564849601 505538786 /nfs/dbraw/zinc/53/87/86/505538786.db2.gz VIRIDNJQOUBKRK-INIZCTEOSA-N -1 1 368.462 3.021 20 30 FGEDMM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170933 506469781 /nfs/dbraw/zinc/46/97/81/506469781.db2.gz SBEXIDWQRQXOGU-LLVKDONJSA-N -1 1 359.223 3.387 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2cccc(Br)c2)c1 ZINC000589179932 506472899 /nfs/dbraw/zinc/47/28/99/506472899.db2.gz XJAXXKUSPXXIEO-UHFFFAOYSA-N -1 1 359.223 3.389 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 ZINC000589530638 506579477 /nfs/dbraw/zinc/57/94/77/506579477.db2.gz TTXFTFVSVQMONX-MRXNPFEDSA-N -1 1 352.394 3.282 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1Cl ZINC000603975264 506678373 /nfs/dbraw/zinc/67/83/73/506678373.db2.gz PIPZSLDPMYGHNG-UHFFFAOYSA-N -1 1 372.837 3.257 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c1 ZINC000598117872 507266961 /nfs/dbraw/zinc/26/69/61/507266961.db2.gz XWNMINBZCAVCTI-CYBMUJFWSA-N -1 1 362.311 3.050 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc(Cl)ccc2OC(F)F)c1 ZINC000614370567 507483506 /nfs/dbraw/zinc/48/35/06/507483506.db2.gz KIZMKNWIALQDOD-UHFFFAOYSA-N -1 1 352.724 3.449 20 30 FGEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nnn(C(C)(C)C)n3)c(C#N)c2[C@H]1C ZINC000598843379 507633166 /nfs/dbraw/zinc/63/31/66/507633166.db2.gz DNLPXSDEPDEHSZ-ZJUUUORDSA-N -1 1 358.471 3.299 20 30 FGEDMM CSc1nc(C)c(CCC(=O)N(CC#N)c2ccc(F)cc2C)c(=O)[n-]1 ZINC000602394402 507693559 /nfs/dbraw/zinc/69/35/59/507693559.db2.gz QUNKTCMGZSJHTC-UHFFFAOYSA-N -1 1 374.441 3.149 20 30 FGEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cccc(OC)c1 ZINC000736304932 598936112 /nfs/dbraw/zinc/93/61/12/598936112.db2.gz SEKXKLCGFIFWBZ-UHFFFAOYSA-N -1 1 369.429 3.387 20 30 FGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000819847881 598226722 /nfs/dbraw/zinc/22/67/22/598226722.db2.gz PLLTZOOUVXUVJS-IBGZPJMESA-N -1 1 366.352 3.312 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(Cl)ccc32)o1 ZINC000820108025 599336560 /nfs/dbraw/zinc/33/65/60/599336560.db2.gz FECIDSYVCRKWKN-UHFFFAOYSA-N -1 1 371.832 3.469 20 30 FGEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C12CCCC2 ZINC000821350658 599337485 /nfs/dbraw/zinc/33/74/85/599337485.db2.gz ASHRSLPIIWNYNQ-GFCCVEGCSA-N -1 1 359.434 3.115 20 30 FGEDMM N#Cc1ccc(NC(=O)CCN2Cc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC000739123865 600086935 /nfs/dbraw/zinc/08/69/35/600086935.db2.gz XFFQZVRWKNPBQK-UHFFFAOYSA-N -1 1 369.808 3.254 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825256484 604161000 /nfs/dbraw/zinc/16/10/00/604161000.db2.gz YJNSURLQGRBTLS-ZFWWWQNUSA-N -1 1 354.372 3.425 20 30 FGEDMM CC(C)(CCC#N)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833457308 604680172 /nfs/dbraw/zinc/68/01/72/604680172.db2.gz OMTYGXLHGMYWSZ-QGZVFWFLSA-N -1 1 363.889 3.413 20 30 FGEDMM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821708222 606392139 /nfs/dbraw/zinc/39/21/39/606392139.db2.gz LUMBZTMBQUXKOQ-GQCTYLIASA-N -1 1 356.407 3.150 20 30 FGEDMM N#C[C@@H](C(=O)Cc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706930 695845308 /nfs/dbraw/zinc/84/53/08/695845308.db2.gz CKVPMHIVOQAWMM-LBPRGKRZSA-N -1 1 369.471 3.344 20 30 FGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000097110222 700461142 /nfs/dbraw/zinc/46/11/42/700461142.db2.gz GFJCZBFJOXLZMW-UHFFFAOYSA-N -1 1 350.260 3.024 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)o1 ZINC000109143647 700530772 /nfs/dbraw/zinc/53/07/72/700530772.db2.gz CVIVMARDPGBMMR-KWEXDPCDSA-N -1 1 356.708 3.170 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)CC#N)cc1 ZINC000113689962 700574505 /nfs/dbraw/zinc/57/45/05/700574505.db2.gz HPHAYCXCKWOXEA-AWEZNQCLSA-N -1 1 358.419 3.255 20 30 FGEDMM Cc1ccc(-c2ncc(C=CC(=O)c3c([O-])cc(C)oc3=O)s2)cc1 ZINC000114990952 700583060 /nfs/dbraw/zinc/58/30/60/700583060.db2.gz BYDPVTUZNVEGDS-IWAYRVGRSA-N -1 1 353.399 3.347 20 30 FGEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1C1CC1 ZINC000127861232 700767873 /nfs/dbraw/zinc/76/78/73/700767873.db2.gz MWEGKYBMZVIOKY-GFCCVEGCSA-N -1 1 355.419 3.380 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c(F)c1 ZINC000157832035 705165210 /nfs/dbraw/zinc/16/52/10/705165210.db2.gz LVECTZZRWBXNJI-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000160184360 705246743 /nfs/dbraw/zinc/24/67/43/705246743.db2.gz XBFHWVMDQPULDK-JTQLQIEISA-N -1 1 363.826 3.329 20 30 FGEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000160184255 705246764 /nfs/dbraw/zinc/24/67/64/705246764.db2.gz XBFHWVMDQPULDK-SNVBAGLBSA-N -1 1 363.826 3.329 20 30 FGEDMM N#Cc1ccc(C(=O)NCCOc2cccc(Cl)c2Cl)cc1[O-] ZINC000526949885 714414816 /nfs/dbraw/zinc/41/48/16/714414816.db2.gz JYFVDFDBTIKTAX-UHFFFAOYSA-N -1 1 351.189 3.379 20 30 FGEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617037744 714624467 /nfs/dbraw/zinc/62/44/67/714624467.db2.gz QEKPQBILTWSLFB-KGLIPLIRSA-N -1 1 368.499 3.221 20 30 FGEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000619693606 714862537 /nfs/dbraw/zinc/86/25/37/714862537.db2.gz YBTIXSLQMQRPDM-UHFFFAOYSA-N -1 1 372.372 3.398 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Cn3cncn3)c2)n1 ZINC000626355972 715891831 /nfs/dbraw/zinc/89/18/31/715891831.db2.gz LHRFXGWRUYUYDZ-HNNXBMFYSA-N -1 1 351.435 3.396 20 30 FGEDMM COC(=O)c1cc(Cl)cc(NC(=O)/C=C/c2ccccc2C#N)c1[O-] ZINC000804901807 724562364 /nfs/dbraw/zinc/56/23/64/724562364.db2.gz NGZOHLQIHMAVJF-VOTSOKGWSA-N -1 1 356.765 3.356 20 30 FGEDMM Cn1c(NN=Cc2ccc(C(=O)[O-])cc2Cl)nnc1-c1ccccc1 ZINC000783827326 724793987 /nfs/dbraw/zinc/79/39/87/724793987.db2.gz NQPFUVXGWYHRGK-UHFFFAOYSA-N -1 1 355.785 3.280 20 30 FGEDMM C=CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000734500835 722507962 /nfs/dbraw/zinc/50/79/62/722507962.db2.gz IIJNQTRBXIWJDF-ZDUSSCGKSA-N -1 1 367.814 3.239 20 30 FGEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000740811946 722538077 /nfs/dbraw/zinc/53/80/77/722538077.db2.gz JXDPBLVFTIEHMA-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000748643361 722699884 /nfs/dbraw/zinc/69/98/84/722699884.db2.gz RLZXMEYIDBBDHA-UHFFFAOYSA-N -1 1 352.415 3.356 20 30 FGEDMM COC(=O)[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(C#N)cc1 ZINC000751732972 722824202 /nfs/dbraw/zinc/82/42/02/722824202.db2.gz WXHYPFGHVYPTSZ-HNNXBMFYSA-N -1 1 363.728 3.127 20 30 FGEDMM C=CCC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000752567710 722862906 /nfs/dbraw/zinc/86/29/06/722862906.db2.gz ZDMHSJDNTMICIZ-ZDUSSCGKSA-N -1 1 355.456 3.258 20 30 FGEDMM COc1cc(CN=Nc2cc(F)c(F)cc2F)ccc1OCC(=O)[O-] ZINC000755729644 722956256 /nfs/dbraw/zinc/95/62/56/722956256.db2.gz AZZCYUMALMPJQA-UHFFFAOYSA-N -1 1 354.284 3.022 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000755893182 722958138 /nfs/dbraw/zinc/95/81/38/722958138.db2.gz QDLYMLGFMRCZSN-UHFFFAOYSA-N -1 1 368.245 3.456 20 30 FGEDMM CC(C)c1ccc(-c2ncc(Cn3ccc(C=N[O-])nc3=O)s2)cc1 ZINC000759767008 723020064 /nfs/dbraw/zinc/02/00/64/723020064.db2.gz RWBSMVADZATZGI-UHFFFAOYSA-N -1 1 354.435 3.347 20 30 FGEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])c(Br)c1O ZINC000761009095 723112155 /nfs/dbraw/zinc/11/21/55/723112155.db2.gz DWOVUUJUDYPACR-GORDUTHDSA-N -1 1 365.179 3.471 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000793367901 723431784 /nfs/dbraw/zinc/43/17/84/723431784.db2.gz BZJUNKCJDRHMCT-UHFFFAOYSA-N -1 1 363.370 3.067 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000794590405 723533559 /nfs/dbraw/zinc/53/35/59/723533559.db2.gz PUMZZYZINQQTAD-UHFFFAOYSA-N -1 1 364.839 3.212 20 30 FGEDMM CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000776633152 724165790 /nfs/dbraw/zinc/16/57/90/724165790.db2.gz MXLGXLVPCHSVBJ-UHFFFAOYSA-N -1 1 357.797 3.309 20 30 FGEDMM N#Cc1ccc(C(=O)COC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000778827874 724366198 /nfs/dbraw/zinc/36/61/98/724366198.db2.gz DUBYWZBMMIPFAV-UHFFFAOYSA-N -1 1 360.163 3.066 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)C#N)cc2)ccc1F ZINC000785447628 724913186 /nfs/dbraw/zinc/91/31/86/724913186.db2.gz PQKZDYYFSDRJAG-LBPRGKRZSA-N -1 1 362.382 3.004 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000785613908 724925461 /nfs/dbraw/zinc/92/54/61/724925461.db2.gz VQWZKBFCAHFXFH-FVMDXXJSSA-N -1 1 365.216 3.423 20 30 FGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000788845127 725091054 /nfs/dbraw/zinc/09/10/54/725091054.db2.gz BJZZFHDUSKTQFT-SOFGYWHQSA-N -1 1 364.224 3.128 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC[C@@H](c2ccccc2)C1 ZINC000814865801 727007035 /nfs/dbraw/zinc/00/70/35/727007035.db2.gz ZGUWLJGXAJDODP-CQSZACIVSA-N -1 1 359.407 3.197 20 30 FGEDMM C=CCn1cc(CN[C@@H](C)c2cc(Br)cc(Cl)c2[O-])nn1 ZINC000818346541 727308880 /nfs/dbraw/zinc/30/88/80/727308880.db2.gz MLVOSJHWRYYZJW-VIFPVBQESA-N -1 1 371.666 3.436 20 30 FGEDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000844663093 730748453 /nfs/dbraw/zinc/74/84/53/730748453.db2.gz RUGATBXVKVCLEM-LBPRGKRZSA-N -1 1 362.426 3.481 20 30 FGEDMM CC[C@@H]1COCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000853300557 731692623 /nfs/dbraw/zinc/69/26/23/731692623.db2.gz STNLLLLFGTWWGJ-CQSZACIVSA-N -1 1 359.451 3.312 20 30 FGEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000859425061 732326776 /nfs/dbraw/zinc/32/67/76/732326776.db2.gz MEGIDHCVGNPFQI-NSHDSACASA-N -1 1 357.884 3.261 20 30 FGEDMM N#Cc1cccc([C@@H]2CN(C(=O)Cc3ccc([O-])c(Cl)c3)CCO2)c1 ZINC000867065449 733432573 /nfs/dbraw/zinc/43/25/73/733432573.db2.gz AVYPVBPWDDWCPX-SFHVURJKSA-N -1 1 356.809 3.060 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CC[C@H]2C(F)(F)F)s1 ZINC000867780569 733516939 /nfs/dbraw/zinc/51/69/39/733516939.db2.gz TWWRWAMXWAVDPL-GXSJLCMTSA-N -1 1 350.387 3.043 20 30 FGEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)cc1 ZINC000901676732 743615815 /nfs/dbraw/zinc/61/58/15/743615815.db2.gz QQLVHPUGFKHSFE-UHFFFAOYSA-N -1 1 354.431 3.463 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1OC ZINC000901687000 743619488 /nfs/dbraw/zinc/61/94/88/743619488.db2.gz NJFACQGZRRROEW-UHFFFAOYSA-N -1 1 360.435 3.099 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)c(C2CC2)c1 ZINC000901966681 743688260 /nfs/dbraw/zinc/68/82/60/743688260.db2.gz SLUMOMQRGUFVND-UHFFFAOYSA-N -1 1 352.415 3.365 20 30 FGEDMM N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000579704362 505605266 /nfs/dbraw/zinc/60/52/66/505605266.db2.gz HTRKOKMHYXBMRQ-SNVBAGLBSA-N -1 1 355.785 3.232 20 30 FGEDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000006553304 493968267 /nfs/dbraw/zinc/96/82/67/493968267.db2.gz IQKPLVPFDINZQG-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1csc(C(=O)N2CCC[C@H](c3n[n-]c(=S)n3C3CC3)C2)c1 ZINC000084297344 494061632 /nfs/dbraw/zinc/06/16/32/494061632.db2.gz VCMLRXLMZSKSAS-NSHDSACASA-N -1 1 359.480 3.229 20 30 FGEDMM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041553544 494167555 /nfs/dbraw/zinc/16/75/55/494167555.db2.gz RLDIECLVMQSKLB-DLUDVSRJSA-N -1 1 366.364 3.469 20 30 FGEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055595507 494369951 /nfs/dbraw/zinc/36/99/51/494369951.db2.gz HFPCEQFXMJZVMA-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055648253 494381820 /nfs/dbraw/zinc/38/18/20/494381820.db2.gz BBJIJMWGXGKOKS-UHFFFAOYSA-N -1 1 371.462 3.277 20 30 FGEDMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571903 494440180 /nfs/dbraw/zinc/44/01/80/494440180.db2.gz XTMJVTWBSMQGMJ-GFCCVEGCSA-N -1 1 365.315 3.376 20 30 FGEDMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000024432353 494628619 /nfs/dbraw/zinc/62/86/19/494628619.db2.gz HXGHRPOTFRNIFZ-UHFFFAOYSA-N -1 1 357.435 3.344 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2Cn2cncn2)n1 ZINC000080458904 494709055 /nfs/dbraw/zinc/70/90/55/494709055.db2.gz BRRNBMAODKEIEB-OAHLLOKOSA-N -1 1 351.435 3.396 20 30 FGEDMM N#CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000126329754 494712121 /nfs/dbraw/zinc/71/21/21/494712121.db2.gz JMHDNHQMYPDQAD-UHFFFAOYSA-N -1 1 364.188 3.205 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1 ZINC000135331175 495278873 /nfs/dbraw/zinc/27/88/73/495278873.db2.gz BDWAKUYJOSFXFE-UHFFFAOYSA-N -1 1 372.446 3.164 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000125247242 495413592 /nfs/dbraw/zinc/41/35/92/495413592.db2.gz HDYDCNJIRPEHEB-UHFFFAOYSA-N -1 1 372.450 3.139 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000174256095 495884421 /nfs/dbraw/zinc/88/44/21/495884421.db2.gz IFHDAOOVVQOKSY-UHFFFAOYSA-N -1 1 357.435 3.384 20 30 FGEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000184039263 496214581 /nfs/dbraw/zinc/21/45/81/496214581.db2.gz ITGFHKQCDVOGHW-CQSZACIVSA-N -1 1 372.446 3.019 20 30 FGEDMM N#C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000569265651 505892173 /nfs/dbraw/zinc/89/21/73/505892173.db2.gz WVBFFTSXTYRVTC-FQEVSTJZSA-N -1 1 359.385 3.361 20 30 FGEDMM N#CCOc1ccc(CSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000266329143 497306507 /nfs/dbraw/zinc/30/65/07/497306507.db2.gz SOFHYFMHNOIRBO-UHFFFAOYSA-N -1 1 357.435 3.259 20 30 FGEDMM N#CCOc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000266329143 497306509 /nfs/dbraw/zinc/30/65/09/497306509.db2.gz SOFHYFMHNOIRBO-UHFFFAOYSA-N -1 1 357.435 3.259 20 30 FGEDMM CCOC(=O)c1cnc(C(C)=Cc2cccc(OCCCC#N)c2)[n-]c1=O ZINC000193264075 497336029 /nfs/dbraw/zinc/33/60/29/497336029.db2.gz YRSYRGOJHKWOGI-SDNWHVSQSA-N -1 1 367.405 3.190 20 30 FGEDMM CCN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000267353423 497531273 /nfs/dbraw/zinc/53/12/73/497531273.db2.gz GXIQCFAWPBAECE-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000280003981 497616760 /nfs/dbraw/zinc/61/67/60/497616760.db2.gz SKEULOZLXJWLHD-UHFFFAOYSA-N -1 1 371.462 3.035 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000280039684 497628467 /nfs/dbraw/zinc/62/84/67/497628467.db2.gz WZQIQJBVAKPPAV-SFHVURJKSA-N -1 1 372.446 3.111 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000285144665 498006339 /nfs/dbraw/zinc/00/63/39/498006339.db2.gz RCJBLYWGOKXXDY-GFCCVEGCSA-N -1 1 353.296 3.225 20 30 FGEDMM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000331267454 498289557 /nfs/dbraw/zinc/28/95/57/498289557.db2.gz IORMTJGKDRKZGV-APPDUMDISA-N -1 1 355.818 3.481 20 30 FGEDMM CCC[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000569948811 506054378 /nfs/dbraw/zinc/05/43/78/506054378.db2.gz VUIRETQDQGBHIN-MRVPVSSYSA-N -1 1 369.643 3.212 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(Cl)c1 ZINC000389460603 499552596 /nfs/dbraw/zinc/55/25/96/499552596.db2.gz JRXNDZLMBWHHGV-UHFFFAOYSA-N -1 1 350.812 3.017 20 30 FGEDMM C=CCCC[C@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000398252914 499567443 /nfs/dbraw/zinc/56/74/43/499567443.db2.gz OFVXODIRSXFIRL-JTQLQIEISA-N -1 1 359.207 3.471 20 30 FGEDMM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000408395703 499586758 /nfs/dbraw/zinc/58/67/58/499586758.db2.gz WAFKBMMQHYLPHX-RNFRBKRXSA-N -1 1 369.693 3.135 20 30 FGEDMM CSc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000425120918 500024720 /nfs/dbraw/zinc/02/47/20/500024720.db2.gz BKPPEJCPLPKWQT-CYBMUJFWSA-N -1 1 370.478 3.236 20 30 FGEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc2F)c1 ZINC000576558360 506186453 /nfs/dbraw/zinc/18/64/53/506186453.db2.gz FLKYOSYAHKGZGO-UHFFFAOYSA-N -1 1 374.372 3.131 20 30 FGEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1 ZINC000427118193 500355938 /nfs/dbraw/zinc/35/59/38/500355938.db2.gz ULUDPKOIZGVJJL-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC000443295548 500705701 /nfs/dbraw/zinc/70/57/01/500705701.db2.gz OARYYTSFGKIKNW-QGZVFWFLSA-N -1 1 355.375 3.060 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)C3(c4cccc(C#N)c4)CC3)[nH][n-]2)c1 ZINC000444812733 500905997 /nfs/dbraw/zinc/90/59/97/500905997.db2.gz NWVZMBLSMWAWPV-UHFFFAOYSA-N -1 1 360.392 3.488 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)ccc1C#N ZINC000435764469 501024562 /nfs/dbraw/zinc/02/45/62/501024562.db2.gz YVYDXAOXBVZTEG-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM CC(C)(C#N)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436721457 501197236 /nfs/dbraw/zinc/19/72/36/501197236.db2.gz LNQAXIBYNCLCMJ-UHFFFAOYSA-N -1 1 373.359 3.202 20 30 FGEDMM N#C[C@@]1([N-]S(=O)(=O)c2sccc2Cl)CCc2ccccc2C1 ZINC000450994036 501237493 /nfs/dbraw/zinc/23/74/93/501237493.db2.gz BJSCFKNQBFDGDW-OAHLLOKOSA-N -1 1 352.868 3.131 20 30 FGEDMM C=C(C)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000451803534 501374777 /nfs/dbraw/zinc/37/47/77/501374777.db2.gz QVODQXRVKDUVDE-UHFFFAOYSA-N -1 1 356.644 3.486 20 30 FGEDMM C=CCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)OCC ZINC000456633617 501562478 /nfs/dbraw/zinc/56/24/78/501562478.db2.gz VHMLAGXPMJVPOP-CYBMUJFWSA-N -1 1 355.818 3.072 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000463524661 501750786 /nfs/dbraw/zinc/75/07/86/501750786.db2.gz FHRYCJLAAKAFIB-UHFFFAOYSA-N -1 1 374.418 3.189 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000477836538 501803161 /nfs/dbraw/zinc/80/31/61/501803161.db2.gz GBTCNLVWCOHJPK-INIZCTEOSA-N -1 1 355.401 3.308 20 30 FGEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000481963152 501930235 /nfs/dbraw/zinc/93/02/35/501930235.db2.gz LXGNKBVCUDAKJM-UHFFFAOYSA-N -1 1 350.827 3.201 20 30 FGEDMM Cc1ccc(NC(=O)CCCC#N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000462257270 502370322 /nfs/dbraw/zinc/37/03/22/502370322.db2.gz NLGFFHVDRZBAAZ-UHFFFAOYSA-N -1 1 357.435 3.428 20 30 FGEDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)ccc21 ZINC000476479976 502500961 /nfs/dbraw/zinc/50/09/61/502500961.db2.gz BZVMQKBLYRMNSH-UHFFFAOYSA-N -1 1 354.435 3.484 20 30 FGEDMM Cn1cc([C@H]([N-]C(=O)c2c(F)c(F)cc(F)c2F)C(F)(F)F)cn1 ZINC000487751740 502522001 /nfs/dbraw/zinc/52/20/01/502522001.db2.gz IHYDGWQEQQDZEM-NSHDSACASA-N -1 1 355.213 3.010 20 30 FGEDMM CN(CC(C)(C)C#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000497425520 502955826 /nfs/dbraw/zinc/95/58/26/502955826.db2.gz GOLPNGCTZHNACL-UHFFFAOYSA-N -1 1 371.462 3.109 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cnc1N1CCCC[C@@H]1C ZINC000502423353 503197213 /nfs/dbraw/zinc/19/72/13/503197213.db2.gz FVLHLJMSWIFZNE-HNNXBMFYSA-N -1 1 370.478 3.441 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3cccc(Cl)c3)c2)nc(C)n1 ZINC000516465242 503515197 /nfs/dbraw/zinc/51/51/97/503515197.db2.gz QVCYAGPIQWKUAD-INIZCTEOSA-N -1 1 351.797 3.423 20 30 FGEDMM CC#CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000543604966 503827328 /nfs/dbraw/zinc/82/73/28/503827328.db2.gz HOYDTYDHDTTXOU-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1C#N ZINC000530145410 503852567 /nfs/dbraw/zinc/85/25/67/503852567.db2.gz LTYVARXIYCTLJC-UHFFFAOYSA-N -1 1 370.430 3.024 20 30 FGEDMM N#CC(=C([O-])c1ccccc1OCCOc1ccccc1)c1ccncn1 ZINC000546860647 503905774 /nfs/dbraw/zinc/90/57/74/503905774.db2.gz ZETIVOXCXKYKTH-GOSISDBHSA-N -1 1 359.385 3.424 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000542093508 504362295 /nfs/dbraw/zinc/36/22/95/504362295.db2.gz RBYFVMNUIWGAEK-UHFFFAOYSA-N -1 1 363.414 3.247 20 30 FGEDMM N#Cc1cnc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c(Cl)c1 ZINC000536042789 504615648 /nfs/dbraw/zinc/61/56/48/504615648.db2.gz ZMDDLQPRAVJDEY-UHFFFAOYSA-N -1 1 364.217 3.386 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC)c(C)c2)c1 ZINC000539853502 504718713 /nfs/dbraw/zinc/71/87/13/504718713.db2.gz GSQOLEQYRLEJPQ-UHFFFAOYSA-N -1 1 358.463 3.274 20 30 FGEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000557607676 505181495 /nfs/dbraw/zinc/18/14/95/505181495.db2.gz VHMCJRVJIZBHCD-UHFFFAOYSA-N -1 1 359.499 3.135 20 30 FGEDMM Cc1cnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[n-]c1=O ZINC000566497953 505190089 /nfs/dbraw/zinc/19/00/89/505190089.db2.gz PLMLMIJTCJMNMQ-SECBINFHSA-N -1 1 360.464 3.032 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000589169894 506469751 /nfs/dbraw/zinc/46/97/51/506469751.db2.gz RBPDJORRNNUXFX-PHIMTYICSA-N -1 1 366.261 3.467 20 30 FGEDMM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170934 506469818 /nfs/dbraw/zinc/46/98/18/506469818.db2.gz SBEXIDWQRQXOGU-NSHDSACASA-N -1 1 359.223 3.387 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2NCC2(C#N)CC2)cc1 ZINC000603368418 506496596 /nfs/dbraw/zinc/49/65/96/506496596.db2.gz GTBUFZYBZIONOH-UHFFFAOYSA-N -1 1 357.435 3.212 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)cc1Cl ZINC000590597605 506874574 /nfs/dbraw/zinc/87/45/74/506874574.db2.gz JZQYGTLLEPDNDP-UHFFFAOYSA-N -1 1 362.794 3.251 20 30 FGEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccn1 ZINC000583673970 506907242 /nfs/dbraw/zinc/90/72/42/506907242.db2.gz DNXYMDLOBFKAIS-ZDUSSCGKSA-N -1 1 364.430 3.469 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)c1 ZINC000600485545 506969064 /nfs/dbraw/zinc/96/90/64/506969064.db2.gz BEPYKMDFTPWNLN-UHFFFAOYSA-N -1 1 366.421 3.009 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594400414 507114422 /nfs/dbraw/zinc/11/44/22/507114422.db2.gz QLZFMRDOBXIUGA-UHOFOFEASA-N -1 1 372.465 3.386 20 30 FGEDMM N#CC1(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CCCC1 ZINC000597841064 507126972 /nfs/dbraw/zinc/12/69/72/507126972.db2.gz FYLDTSKTRRCSTK-UHFFFAOYSA-N -1 1 365.256 3.345 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1[O-] ZINC000598114955 507264489 /nfs/dbraw/zinc/26/44/89/507264489.db2.gz HRYVNJQLALORCV-LBPRGKRZSA-N -1 1 362.311 3.050 20 30 FGEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)[nH]n1 ZINC000610769910 507384103 /nfs/dbraw/zinc/38/41/03/507384103.db2.gz ZCAOVBQMTUGMGE-UHFFFAOYSA-N -1 1 372.372 3.398 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000614297191 507446579 /nfs/dbraw/zinc/44/65/79/507446579.db2.gz UUISYQRBHWZXLT-UHFFFAOYSA-N -1 1 363.417 3.323 20 30 FGEDMM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614366159 507481050 /nfs/dbraw/zinc/48/10/50/507481050.db2.gz AFDYLUDFOHKQLI-LJQANCHMSA-N -1 1 366.417 3.094 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000601975746 507536005 /nfs/dbraw/zinc/53/60/05/507536005.db2.gz JIADPNFEHCSGFZ-AWEZNQCLSA-N -1 1 368.524 3.497 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)c1 ZINC000586875449 507701393 /nfs/dbraw/zinc/70/13/93/507701393.db2.gz XMPQBJAZSQVGNO-LJQANCHMSA-N -1 1 361.401 3.118 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000588120046 507766199 /nfs/dbraw/zinc/76/61/99/507766199.db2.gz IQCNXIXUDDRMBE-OAHLLOKOSA-N -1 1 358.419 3.266 20 30 FGEDMM C#CCCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735374872 599217829 /nfs/dbraw/zinc/21/78/29/599217829.db2.gz NWQLIWQZGVUAET-UHFFFAOYSA-N -1 1 368.780 3.493 20 30 FGEDMM COc1ccc2oc(C(C)N=Nc3oc(C)nc3-c3nn[n-]n3)c(C)c2c1 ZINC000737120704 598787916 /nfs/dbraw/zinc/78/79/16/598787916.db2.gz SIQGFUFXIUDNIY-UHFFFAOYSA-N -1 1 367.369 3.062 20 30 FGEDMM COc1cc(F)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737889534 600598379 /nfs/dbraw/zinc/59/83/79/600598379.db2.gz RNTXEKXFUXUHRP-ADLMAVQZSA-N -1 1 358.369 3.191 20 30 FGEDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC#Cc2cccc(Cl)c2)n1 ZINC000822427394 607465156 /nfs/dbraw/zinc/46/51/56/607465156.db2.gz LYIPJIRSYFCYIX-UHFFFAOYSA-N -1 1 356.842 3.071 20 30 FGEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(Br)cc1F ZINC000833408174 605040275 /nfs/dbraw/zinc/04/02/75/605040275.db2.gz XEVCZJICYVZPIV-SECBINFHSA-N -1 1 354.179 3.481 20 30 FGEDMM N#Cc1cccc(CN[C@H]2C[C@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)c1 ZINC000833978267 605632829 /nfs/dbraw/zinc/63/28/29/605632829.db2.gz HMEXESJYUIYBGJ-RXVVDRJESA-N -1 1 363.417 3.294 20 30 FGEDMM c1cc(-c2nn[n-]n2)sc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000819718506 606368616 /nfs/dbraw/zinc/36/86/16/606368616.db2.gz KGUNAOTZBMJBLW-UHFFFAOYSA-N -1 1 353.436 3.498 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403292 608094057 /nfs/dbraw/zinc/09/40/57/608094057.db2.gz OFQHNHREJFFLSS-PLNGDYQASA-N -1 1 366.431 3.343 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403292 608094058 /nfs/dbraw/zinc/09/40/58/608094058.db2.gz OFQHNHREJFFLSS-PLNGDYQASA-N -1 1 366.431 3.343 20 30 FGEDMM C=CCN(CC=C)C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000078616651 700283564 /nfs/dbraw/zinc/28/35/64/700283564.db2.gz YIMRITLWKQTHRP-UHFFFAOYSA-N -1 1 358.467 3.207 20 30 FGEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000134064838 704811706 /nfs/dbraw/zinc/81/17/06/704811706.db2.gz KDYUXCBVWPJYTO-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM CC[C@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000188089404 712761334 /nfs/dbraw/zinc/76/13/34/712761334.db2.gz UJIQKHCFLWETCU-MRXNPFEDSA-N -1 1 358.419 3.336 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OC(F)F)c(=O)o1 ZINC000255427289 713695812 /nfs/dbraw/zinc/69/58/12/713695812.db2.gz ZTHOCIHNVATUPG-CTGSTSKSSA-N -1 1 356.708 3.170 20 30 FGEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000617362686 714649748 /nfs/dbraw/zinc/64/97/48/714649748.db2.gz OLJLLPSGAZSWOQ-VIFPVBQESA-N -1 1 359.411 3.121 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1Cl ZINC000618086948 714717946 /nfs/dbraw/zinc/71/79/46/714717946.db2.gz OHBMNBKNUOPBMP-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1Cl ZINC000619753252 714866976 /nfs/dbraw/zinc/86/69/76/714866976.db2.gz SLGRJJSQBVYIDX-UHFFFAOYSA-N -1 1 360.744 3.107 20 30 FGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c(C)c1 ZINC000779845608 724430464 /nfs/dbraw/zinc/43/04/64/724430464.db2.gz RBSRYOQOGQAWAT-CQSZACIVSA-N -1 1 360.435 3.404 20 30 FGEDMM C[C@]1(c2ccccc2)CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1 ZINC000780210288 724454401 /nfs/dbraw/zinc/45/44/01/724454401.db2.gz RRKGCHKMHIYYLM-IBGZPJMESA-N -1 1 353.447 3.223 20 30 FGEDMM N#Cc1ccc(Cl)c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000803834633 724473536 /nfs/dbraw/zinc/47/35/36/724473536.db2.gz MAHSWERUDCIKBA-UHFFFAOYSA-N -1 1 355.733 3.381 20 30 FGEDMM Cn1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000675642512 721764595 /nfs/dbraw/zinc/76/45/95/721764595.db2.gz GTMUNPCVLOKDMZ-GFCCVEGCSA-N -1 1 352.419 3.104 20 30 FGEDMM COc1cc(C)nc(N=NC(C)c2cc(Br)cc(F)c2[O-])n1 ZINC000783848760 724796014 /nfs/dbraw/zinc/79/60/14/724796014.db2.gz KEZIXXYCKBZPGH-UHFFFAOYSA-N -1 1 369.194 3.237 20 30 FGEDMM C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000736246322 722522385 /nfs/dbraw/zinc/52/23/85/722522385.db2.gz XGJJCUBPRHFJFN-UHFFFAOYSA-N -1 1 364.854 3.278 20 30 FGEDMM C#C[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000744181017 722574305 /nfs/dbraw/zinc/57/43/05/722574305.db2.gz GTEWNTLIBMTZNE-OAHLLOKOSA-N -1 1 357.431 3.283 20 30 FGEDMM CSc1cc(Br)ccc1C=NNc1nc(C)cc(=O)[n-]1 ZINC000755875540 722957870 /nfs/dbraw/zinc/95/78/70/722957870.db2.gz VZMMYBJCTOFWGY-UHFFFAOYSA-N -1 1 353.245 3.421 20 30 FGEDMM O=C([N-]CC#Cc1cccc(C(F)(F)F)c1)C(F)(F)C1CCOCC1 ZINC000790252780 723117799 /nfs/dbraw/zinc/11/77/99/723117799.db2.gz QBWRWXNYTKCYRX-UHFFFAOYSA-N -1 1 361.310 3.235 20 30 FGEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000790394301 723135186 /nfs/dbraw/zinc/13/51/86/723135186.db2.gz PAAZWAUGUOPLFE-UHFFFAOYSA-N -1 1 370.352 3.495 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2c(Cl)oc3ccccc23)c2ccccc21 ZINC000761252978 723137440 /nfs/dbraw/zinc/13/74/40/723137440.db2.gz IVLZSPQHTJTIEE-UHFFFAOYSA-N -1 1 359.794 3.159 20 30 FGEDMM O=C([N-]CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)C1CCOCC1 ZINC000790714364 723169854 /nfs/dbraw/zinc/16/98/54/723169854.db2.gz UBFVVZXFMLAHCW-UHFFFAOYSA-N -1 1 361.310 3.235 20 30 FGEDMM O=C([O-])c1ccc(N=NC2CCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000763368976 723337764 /nfs/dbraw/zinc/33/77/64/723337764.db2.gz RMMYXNZSGCNQHS-UHFFFAOYSA-N -1 1 358.829 3.497 20 30 FGEDMM CC(CCc1ccc(F)cc1F)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000794890858 723550569 /nfs/dbraw/zinc/55/05/69/723550569.db2.gz GIQUGEBIACRETJ-UHFFFAOYSA-N -1 1 363.389 3.012 20 30 FGEDMM C[C@@H]1C(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000767789582 723634271 /nfs/dbraw/zinc/63/42/71/723634271.db2.gz ZIYVKJZEJLFYEE-GXTWGEPZSA-N -1 1 359.407 3.053 20 30 FGEDMM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000796749105 723653401 /nfs/dbraw/zinc/65/34/01/723653401.db2.gz XEFVPNACNQKUEZ-GFCCVEGCSA-N -1 1 366.208 3.127 20 30 FGEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000770390944 723712941 /nfs/dbraw/zinc/71/29/41/723712941.db2.gz OULHCWBYUVJUEI-VIFPVBQESA-N -1 1 368.655 3.322 20 30 FGEDMM C#CCCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000785491593 724916767 /nfs/dbraw/zinc/91/67/67/724916767.db2.gz PQAPOHFBBWLOPR-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM O=C(OCCOCC(F)(F)C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000787672044 725034813 /nfs/dbraw/zinc/03/48/13/725034813.db2.gz MENHFUQUIVIFHP-UHFFFAOYSA-N -1 1 350.186 3.041 20 30 FGEDMM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cccc([O-])c2Cl)C1=O ZINC000814776314 726998813 /nfs/dbraw/zinc/99/88/13/726998813.db2.gz RPQWPZZMYLJKHO-SFHVURJKSA-N -1 1 357.797 3.237 20 30 FGEDMM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000820797781 729032103 /nfs/dbraw/zinc/03/21/03/729032103.db2.gz FNASTVHNFOBUJR-UHFFFAOYSA-N -1 1 371.083 3.446 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(N)cc2Cl)o1 ZINC000823963170 729314298 /nfs/dbraw/zinc/31/42/98/729314298.db2.gz XHJXBIHOMHVBOF-UHFFFAOYSA-N -1 1 360.809 3.050 20 30 FGEDMM CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(C3CC3)cs2)c(=O)[n-]1 ZINC000842936996 730559828 /nfs/dbraw/zinc/55/98/28/730559828.db2.gz BFSWGHSDUYMYDA-LBPRGKRZSA-N -1 1 374.491 3.356 20 30 FGEDMM Cc1cnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)[n-]c1=O ZINC000849901595 731295302 /nfs/dbraw/zinc/29/53/02/731295302.db2.gz ZWYFLMNUJWODRO-SXGWCWSVSA-N -1 1 355.463 3.463 20 30 FGEDMM Cc1nn(C)c(C)c1[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000866278937 733332425 /nfs/dbraw/zinc/33/24/25/733332425.db2.gz CQPAMYIFQBHROD-SECBINFHSA-N -1 1 367.240 3.344 20 30 FGEDMM C=CC[S@@](=O)(=NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1ccccc1 ZINC000891376267 739897742 /nfs/dbraw/zinc/89/77/42/739897742.db2.gz DPXHSGYIJQOSFX-VWLOTQADSA-N -1 1 359.451 3.467 20 30 FGEDMM N#CC1(CCCCS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)CCC1 ZINC000899488118 742949187 /nfs/dbraw/zinc/94/91/87/742949187.db2.gz YMJQVQSCTHILLU-UHFFFAOYSA-N -1 1 362.430 3.249 20 30 FGEDMM N#CC1(CCCCS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)CCC1 ZINC000899488118 742949190 /nfs/dbraw/zinc/94/91/90/742949190.db2.gz YMJQVQSCTHILLU-UHFFFAOYSA-N -1 1 362.430 3.249 20 30 FGEDMM O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378639 743263036 /nfs/dbraw/zinc/26/30/36/743263036.db2.gz JNQPPBBUAHHNKT-MNOVXSKESA-N -1 1 374.142 3.058 20 30 FGEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1 ZINC000901673832 743615481 /nfs/dbraw/zinc/61/54/81/743615481.db2.gz JBRPFINAAHNCCI-KRWDZBQOSA-N -1 1 356.447 3.447 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc(OC)c1C ZINC000901677156 743616150 /nfs/dbraw/zinc/61/61/50/743616150.db2.gz RUKRETABHJTOID-UHFFFAOYSA-N -1 1 360.435 3.269 20 30 FGEDMM [O-]c1c(Br)cccc1C=NNC(=S)NC1CCCCC1 ZINC000915942412 758008344 /nfs/dbraw/zinc/00/83/44/758008344.db2.gz BAMJSVNKJHHPER-UHFFFAOYSA-N -1 1 356.289 3.285 20 30 FGEDMM C=CCSc1ccccc1NC(=O)CN1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000923466985 759123189 /nfs/dbraw/zinc/12/31/89/759123189.db2.gz HWGBHXZPBJUPST-LJQANCHMSA-N -1 1 362.495 3.480 20 30 FGEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000577096874 505663384 /nfs/dbraw/zinc/66/33/84/505663384.db2.gz VZUFJXBZUDMPOK-CYBMUJFWSA-N -1 1 368.352 3.331 20 30 FGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000063172881 494031215 /nfs/dbraw/zinc/03/12/15/494031215.db2.gz VOTYOQXOEWVOSZ-UHFFFAOYSA-N -1 1 371.462 3.035 20 30 FGEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000070776205 494055561 /nfs/dbraw/zinc/05/55/61/494055561.db2.gz OGHHEXYFHOMRQE-AWEZNQCLSA-N -1 1 371.462 3.196 20 30 FGEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)n[nH]1 ZINC000065080267 494170141 /nfs/dbraw/zinc/17/01/41/494170141.db2.gz STWHVNSPLRBJSC-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000026254661 494812303 /nfs/dbraw/zinc/81/23/03/494812303.db2.gz LVSQJXPXASUIJI-ZETCQYMHSA-N -1 1 373.722 3.118 20 30 FGEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121861415 494876475 /nfs/dbraw/zinc/87/64/75/494876475.db2.gz RWHCDHIBYFDTGK-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc2)co1 ZINC000117229579 494902698 /nfs/dbraw/zinc/90/26/98/494902698.db2.gz OHFPMQAMBQZFHK-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000128918569 495168349 /nfs/dbraw/zinc/16/83/49/495168349.db2.gz ALWIHZHJKNNRQC-UHFFFAOYSA-N -1 1 364.386 3.495 20 30 FGEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1F ZINC000135296019 495274336 /nfs/dbraw/zinc/27/43/36/495274336.db2.gz MSKYCTGXSZDZGW-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(Cl)c1 ZINC000130298545 495369989 /nfs/dbraw/zinc/36/99/89/495369989.db2.gz SXPCNVHRTFKGFW-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000154196287 495540889 /nfs/dbraw/zinc/54/08/89/495540889.db2.gz LWUVBBOIJSRVOO-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM C=CCC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000154241915 495554109 /nfs/dbraw/zinc/55/41/09/495554109.db2.gz ILMDLORHZXLQGB-SFHVURJKSA-N -1 1 364.449 3.006 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Br ZINC000147473347 495576106 /nfs/dbraw/zinc/57/61/06/495576106.db2.gz OZMIYNBHILHOLK-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000176463775 495659036 /nfs/dbraw/zinc/65/90/36/495659036.db2.gz OBQHGSXAEXZLPH-UHFFFAOYSA-N -1 1 364.386 3.495 20 30 FGEDMM C=CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000154144490 496695277 /nfs/dbraw/zinc/69/52/77/496695277.db2.gz PTHQTKSUTILXCL-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)n1 ZINC000191607515 496830086 /nfs/dbraw/zinc/83/00/86/496830086.db2.gz VMQKRVKMDQJPPE-LLVKDONJSA-N -1 1 359.411 3.458 20 30 FGEDMM N#Cc1ccc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000189086261 497003865 /nfs/dbraw/zinc/00/38/65/497003865.db2.gz WHNWDKNXCYLLHX-UHFFFAOYSA-N -1 1 365.216 3.205 20 30 FGEDMM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000189222927 497050850 /nfs/dbraw/zinc/05/08/50/497050850.db2.gz WROXCSQTCOSGJN-JQFCIGGWSA-N -1 1 370.449 3.379 20 30 FGEDMM N#CC1(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCCC1 ZINC000271316544 497318705 /nfs/dbraw/zinc/31/87/05/497318705.db2.gz TXWQIXYQRCINBE-UHFFFAOYSA-N -1 1 371.315 3.069 20 30 FGEDMM N#Cc1ccccc1OCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000193698568 497451175 /nfs/dbraw/zinc/45/11/75/497451175.db2.gz PPWWASPNWSJJPL-UHFFFAOYSA-N -1 1 357.435 3.107 20 30 FGEDMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190736063 497589806 /nfs/dbraw/zinc/58/98/06/497589806.db2.gz ZNZZGVCTJKFQCM-UHFFFAOYSA-N -1 1 360.417 3.359 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000329737656 497883996 /nfs/dbraw/zinc/88/39/96/497883996.db2.gz MGTMRPGORIOGGP-BPLDGKMQSA-N -1 1 366.483 3.495 20 30 FGEDMM COc1cc(C#N)ccc1Oc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301344258 498067053 /nfs/dbraw/zinc/06/70/53/498067053.db2.gz JVDCQBQMYPUVOM-UHFFFAOYSA-N -1 1 359.345 3.194 20 30 FGEDMM Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1 ZINC000321648694 498813423 /nfs/dbraw/zinc/81/34/23/498813423.db2.gz MFEKTEBWFPUTTD-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM COc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc(Cl)c1[O-] ZINC000408267867 499582620 /nfs/dbraw/zinc/58/26/20/499582620.db2.gz GKESZDVXMPHSOH-YJBOKZPZSA-N -1 1 364.829 3.122 20 30 FGEDMM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1nc2ccccc2[nH]1 ZINC000429110609 500004680 /nfs/dbraw/zinc/00/46/80/500004680.db2.gz BVTDNRITAQQDME-HNNXBMFYSA-N -1 1 369.384 3.422 20 30 FGEDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(C)c2)c1OC ZINC000417579380 500115778 /nfs/dbraw/zinc/11/57/78/500115778.db2.gz CDFBYHQEVNGBDT-QGZVFWFLSA-N -1 1 354.406 3.190 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000416938287 500161985 /nfs/dbraw/zinc/16/19/85/500161985.db2.gz KXSKZDFGSHMNDV-LBPRGKRZSA-N -1 1 368.352 3.147 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1 ZINC000416967545 500168572 /nfs/dbraw/zinc/16/85/72/500168572.db2.gz XHBXMLNSUVZYTM-NSHDSACASA-N -1 1 355.416 3.427 20 30 FGEDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1OCCCC#N ZINC000426806789 500323218 /nfs/dbraw/zinc/32/32/18/500323218.db2.gz KYDGSPDEIOFPAQ-IBGZPJMESA-N -1 1 372.396 3.432 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(-c2ccccc2)cs1 ZINC000428261100 500488371 /nfs/dbraw/zinc/48/83/71/500488371.db2.gz ORYGTOHARHQOGU-GFCCVEGCSA-N -1 1 370.459 3.116 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000442229646 500573295 /nfs/dbraw/zinc/57/32/95/500573295.db2.gz BKRBQFOXHGLMBT-UHFFFAOYSA-N -1 1 367.308 3.129 20 30 FGEDMM CC(C)(C#N)CCCCS(=O)(=O)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000447481668 500611550 /nfs/dbraw/zinc/61/15/50/500611550.db2.gz WJMKQSPVFLMDGT-UHFFFAOYSA-N -1 1 372.494 3.454 20 30 FGEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593210155 506468390 /nfs/dbraw/zinc/46/83/90/506468390.db2.gz KEAZPRUIBXIVNI-UHFFFAOYSA-N -1 1 354.382 3.258 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C)Oc3ccccc3C#N)[nH][n-]2)c1 ZINC000444804341 500903993 /nfs/dbraw/zinc/90/39/93/500903993.db2.gz RCWCBNXDSQLGPE-ZDUSSCGKSA-N -1 1 364.380 3.224 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)s1 ZINC000435502557 500986043 /nfs/dbraw/zinc/98/60/43/500986043.db2.gz RVWHYBIIZCLUMB-UHFFFAOYSA-N -1 1 352.824 3.203 20 30 FGEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000435590035 500996876 /nfs/dbraw/zinc/99/68/76/500996876.db2.gz UKERNZOMGSABSK-OTYXRUKQSA-N -1 1 368.257 3.392 20 30 FGEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435594855 500998317 /nfs/dbraw/zinc/99/83/17/500998317.db2.gz BXYALIZQEXATCG-ZANVPECISA-N -1 1 368.257 3.392 20 30 FGEDMM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccc1C#N ZINC000435694445 501013626 /nfs/dbraw/zinc/01/36/26/501013626.db2.gz BTBQQSXQRPGZDD-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1C#N ZINC000435754700 501022985 /nfs/dbraw/zinc/02/29/85/501022985.db2.gz FPSKSMBPDWMBGR-UHFFFAOYSA-N -1 1 355.419 3.350 20 30 FGEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)[nH]n2)o1 ZINC000446627184 501144311 /nfs/dbraw/zinc/14/43/11/501144311.db2.gz WXPIBTFVITYAJM-UHFFFAOYSA-N -1 1 362.798 3.304 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(OC)c(OC)cc2C)n1 ZINC000447120425 501206692 /nfs/dbraw/zinc/20/66/92/501206692.db2.gz GTHQHXWVVJJDPS-GFCCVEGCSA-N -1 1 374.418 3.136 20 30 FGEDMM CC(C)(CC#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000458032781 501360269 /nfs/dbraw/zinc/36/02/69/501360269.db2.gz UIJXZLUICQQTHT-UHFFFAOYSA-N -1 1 371.462 3.157 20 30 FGEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CCC2)cc1[O-] ZINC000592826976 506265803 /nfs/dbraw/zinc/26/58/03/506265803.db2.gz AOVMHUZAFHDQHA-LJQANCHMSA-N -1 1 350.418 3.067 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000465117651 502195774 /nfs/dbraw/zinc/19/57/74/502195774.db2.gz VFKWBGHHAVTKCJ-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000465146590 502201845 /nfs/dbraw/zinc/20/18/45/502201845.db2.gz QTZXQXJGFIEXJH-ZDUSSCGKSA-N -1 1 362.426 3.239 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)N(C)C)c1C ZINC000475825031 502301974 /nfs/dbraw/zinc/30/19/74/502301974.db2.gz FNXURLYRRXKIPZ-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM C=CCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000469894002 502587520 /nfs/dbraw/zinc/58/75/20/502587520.db2.gz SRGHHTFGVXPITQ-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(CC)c2)c1 ZINC000477288094 502730993 /nfs/dbraw/zinc/73/09/93/502730993.db2.gz AOVMPJKXOJEOOK-UHFFFAOYSA-N -1 1 358.463 3.274 20 30 FGEDMM Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000477358597 502753578 /nfs/dbraw/zinc/75/35/78/502753578.db2.gz ADNZDTHSARAJPS-UHFFFAOYSA-N -1 1 360.417 3.399 20 30 FGEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1C ZINC000507951958 503403347 /nfs/dbraw/zinc/40/33/47/503403347.db2.gz VAOAPVRNRREKIM-UHFFFAOYSA-N -1 1 358.419 3.153 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)cc1[O-] ZINC000527195886 503714533 /nfs/dbraw/zinc/71/45/33/503714533.db2.gz QHXLCPBBMFHTKY-CABCVRRESA-N -1 1 357.207 3.312 20 30 FGEDMM CC[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000546569639 503792386 /nfs/dbraw/zinc/79/23/86/503792386.db2.gz LUAKPSFDFIQEMU-MRXNPFEDSA-N -1 1 371.462 3.218 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C2CCCCC2)no1 ZINC000546763819 503869777 /nfs/dbraw/zinc/86/97/77/503869777.db2.gz GHDOEVMKVXOZKF-ZDUSSCGKSA-N -1 1 366.487 3.182 20 30 FGEDMM Cc1ccccc1O[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553535982 504943344 /nfs/dbraw/zinc/94/33/44/504943344.db2.gz BIMIOJMECKKJBD-NVXWUHKLSA-N -1 1 360.435 3.128 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C(Cc2ccccc2)Cc2ccccc2)o1 ZINC000553807679 505016352 /nfs/dbraw/zinc/01/63/52/505016352.db2.gz UWGUHOJSOSMOIU-UHFFFAOYSA-N -1 1 366.442 3.284 20 30 FGEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 ZINC000552239863 505437176 /nfs/dbraw/zinc/43/71/76/505437176.db2.gz WSRICHUUFWGZSA-UHFFFAOYSA-N -1 1 350.378 3.049 20 30 FGEDMM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000599415879 506446558 /nfs/dbraw/zinc/44/65/58/506446558.db2.gz SGXDRVNCUUUSIP-KRWDZBQOSA-N -1 1 364.417 3.244 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(OCc3ccccn3)c2)c1 ZINC000589170223 506469583 /nfs/dbraw/zinc/46/95/83/506469583.db2.gz VSARARDIIONOTA-UHFFFAOYSA-N -1 1 359.385 3.168 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000589197229 506480367 /nfs/dbraw/zinc/48/03/67/506480367.db2.gz HLDSRWWYAMPKJM-UHFFFAOYSA-N -1 1 373.199 3.431 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1[O-] ZINC000589530688 506579499 /nfs/dbraw/zinc/57/94/99/506579499.db2.gz WEPOUKFACJYHNH-OAHLLOKOSA-N -1 1 352.394 3.282 20 30 FGEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc(Cl)c2O1 ZINC000583413771 506764410 /nfs/dbraw/zinc/76/44/10/506764410.db2.gz VZWZTAUORIUEND-SECBINFHSA-N -1 1 366.801 3.475 20 30 FGEDMM N#Cc1ccc(N2CCC[C@@H]2C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000609112598 506778638 /nfs/dbraw/zinc/77/86/38/506778638.db2.gz MNAPMTYEPIUBHE-MRXNPFEDSA-N -1 1 363.446 3.039 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)Nc2ccccc2C#N)[n-]c(=O)c1C1CC1 ZINC000601088714 507256244 /nfs/dbraw/zinc/25/62/44/507256244.db2.gz ZDUOCHDNGVNIOX-LLVKDONJSA-N -1 1 354.435 3.359 20 30 FGEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594752898 507268446 /nfs/dbraw/zinc/26/84/46/507268446.db2.gz VJYJHPOWCUGAJQ-LURJTMIESA-N -1 1 372.071 3.336 20 30 FGEDMM C[C@]1(C#N)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000598420313 507417565 /nfs/dbraw/zinc/41/75/65/507417565.db2.gz NNGUMOUGGXXNNI-MRXNPFEDSA-N -1 1 360.211 3.079 20 30 FGEDMM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614295035 507444825 /nfs/dbraw/zinc/44/48/25/507444825.db2.gz CUIRIGDGDMHBKQ-UHFFFAOYSA-N -1 1 360.417 3.121 20 30 FGEDMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299408 507446873 /nfs/dbraw/zinc/44/68/73/507446873.db2.gz YJJJIEHMFQYCKJ-KRWDZBQOSA-N -1 1 353.397 3.110 20 30 FGEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC000614365564 507481463 /nfs/dbraw/zinc/48/14/63/507481463.db2.gz XQTKBWPRVSBZAX-KRWDZBQOSA-N -1 1 352.390 3.382 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)C(C)C ZINC000592351024 507613387 /nfs/dbraw/zinc/61/33/87/507613387.db2.gz MVZDYTVTJBZTBR-HIFRSBDPSA-N -1 1 356.513 3.351 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc3cc(F)ccc3o2)o1 ZINC000735851069 599127024 /nfs/dbraw/zinc/12/70/24/599127024.db2.gz LAIZKILSORFXHC-UHFFFAOYSA-N -1 1 369.360 3.385 20 30 FGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000739106383 600561847 /nfs/dbraw/zinc/56/18/47/600561847.db2.gz RQJFGWZIVGJLSL-PAKAJVGYSA-N -1 1 361.445 3.015 20 30 FGEDMM CC(C)(C#N)CCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000826070960 601113759 /nfs/dbraw/zinc/11/37/59/601113759.db2.gz GZYLTHSKKBWXMP-QGZVFWFLSA-N -1 1 363.889 3.413 20 30 FGEDMM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000821134490 606390183 /nfs/dbraw/zinc/39/01/83/606390183.db2.gz XLDAZOWNLFLLDB-DHZHZOJOSA-N -1 1 368.418 3.376 20 30 FGEDMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC#Cc2ccc(Cl)cc2)n1 ZINC000822427581 606429183 /nfs/dbraw/zinc/42/91/83/606429183.db2.gz PMNAFQXKYADFFT-UHFFFAOYSA-N -1 1 356.842 3.071 20 30 FGEDMM N#Cc1cc(Br)ccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000822819717 607046293 /nfs/dbraw/zinc/04/62/93/607046293.db2.gz ZKOSWUOYASVKNS-UHFFFAOYSA-N -1 1 360.146 3.432 20 30 FGEDMM N#Cc1cc(Br)ccc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000822819717 607046295 /nfs/dbraw/zinc/04/62/95/607046295.db2.gz ZKOSWUOYASVKNS-UHFFFAOYSA-N -1 1 360.146 3.432 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(Cl)cc32)o1 ZINC000824281112 608094620 /nfs/dbraw/zinc/09/46/20/608094620.db2.gz ZNBNEZSELUHETP-UHFFFAOYSA-N -1 1 371.832 3.469 20 30 FGEDMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000007055304 695562169 /nfs/dbraw/zinc/56/21/69/695562169.db2.gz MTISGXTWCLOJMO-UHFFFAOYSA-N -1 1 358.419 3.316 20 30 FGEDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000076839177 700241011 /nfs/dbraw/zinc/24/10/11/700241011.db2.gz GWORYZDLDZWCLH-UHFFFAOYSA-N -1 1 362.382 3.065 20 30 FGEDMM N#Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[O-] ZINC000615479496 714530792 /nfs/dbraw/zinc/53/07/92/714530792.db2.gz ASHZGODFPUMTMS-AOOOYVTPSA-N -1 1 352.234 3.077 20 30 FGEDMM O=C([O-])C(F)(F)Oc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 ZINC000730729654 722470220 /nfs/dbraw/zinc/47/02/20/722470220.db2.gz LINCRBLFSPOARF-XVNBXDOJSA-N -1 1 352.264 3.484 20 30 FGEDMM C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000736242577 722522409 /nfs/dbraw/zinc/52/24/09/722522409.db2.gz NQTRJIZLVBVRFG-UHFFFAOYSA-N -1 1 368.817 3.109 20 30 FGEDMM CCc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000746491216 722604895 /nfs/dbraw/zinc/60/48/95/722604895.db2.gz BYIHTZXJLDMYHC-UHFFFAOYSA-N -1 1 361.423 3.001 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1c(Cl)cccc1Cl ZINC000748254616 722681782 /nfs/dbraw/zinc/68/17/82/722681782.db2.gz CYXANAUOQYUJCP-UHFFFAOYSA-N -1 1 374.205 3.214 20 30 FGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c(C)c1 ZINC000760361420 723051602 /nfs/dbraw/zinc/05/16/02/723051602.db2.gz WJTSDGBAXSITQW-UHFFFAOYSA-N -1 1 364.398 3.154 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000794576590 723532557 /nfs/dbraw/zinc/53/25/57/723532557.db2.gz LUGMWAXFTCNJCJ-UHFFFAOYSA-N -1 1 356.234 3.442 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)c1 ZINC000794591921 723533578 /nfs/dbraw/zinc/53/35/78/723533578.db2.gz GHGMDJAYMYFGCG-HNNXBMFYSA-N -1 1 370.352 3.149 20 30 FGEDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1F ZINC000767735193 723631805 /nfs/dbraw/zinc/63/18/05/723631805.db2.gz REQHSXVPJAVFQU-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM C[C@H]1C(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000767789585 723634266 /nfs/dbraw/zinc/63/42/66/723634266.db2.gz ZIYVKJZEJLFYEE-OCCSQVGLSA-N -1 1 359.407 3.053 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1[C@@H](O)C(F)(F)F ZINC000777745489 724254663 /nfs/dbraw/zinc/25/46/63/724254663.db2.gz YMGZGUGYCCRDFO-OAHLLOKOSA-N -1 1 370.352 3.263 20 30 FGEDMM O=C([N-]CC#Cc1cccc(C(F)(F)F)c1)C(F)(F)C1(O)CCCC1 ZINC000788271992 725054199 /nfs/dbraw/zinc/05/41/99/725054199.db2.gz PRYMRYBZFXUNJP-UHFFFAOYSA-N -1 1 361.310 3.114 20 30 FGEDMM C#C[C@H](CC)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000806399554 725127210 /nfs/dbraw/zinc/12/72/10/725127210.db2.gz RYTQRSPDZLYRHT-CQSZACIVSA-N -1 1 357.435 3.021 20 30 FGEDMM O=C([N-]C[C@@H]1CCCN(CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000810069896 725286236 /nfs/dbraw/zinc/28/62/36/725286236.db2.gz LUSIHHFBCUZXQA-ZDUSSCGKSA-N -1 1 358.791 3.082 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@H]1COc2cc(F)c(Br)cc21 ZINC000816582376 727177980 /nfs/dbraw/zinc/17/79/80/727177980.db2.gz FKKPNBLKVCVSMY-JTQLQIEISA-N -1 1 350.134 3.349 20 30 FGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCc2cccnc2)s1 ZINC000819413596 727373699 /nfs/dbraw/zinc/37/36/99/727373699.db2.gz IGQXVBSKDPMYCD-UHFFFAOYSA-N -1 1 369.899 3.482 20 30 FGEDMM O=C(C=Cc1cc(-n2ccnc2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400200 729407889 /nfs/dbraw/zinc/40/78/89/729407889.db2.gz RWLHZQRAECGXGO-OWOJBTEDSA-N -1 1 354.420 3.072 20 30 FGEDMM C[C@H]1OCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1C ZINC000844579362 730737441 /nfs/dbraw/zinc/73/74/41/730737441.db2.gz BHBLOLYUNBYJHK-UONOGXRCSA-N -1 1 359.451 3.310 20 30 FGEDMM COCC(C)=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000845436950 730849138 /nfs/dbraw/zinc/84/91/38/730849138.db2.gz AORJPKXRUZOTLQ-MQGYJPLLSA-N -1 1 357.435 3.045 20 30 FGEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@@H]1CCCO1 ZINC000845845184 730902449 /nfs/dbraw/zinc/90/24/49/730902449.db2.gz WIKYXRYAALHQIG-FCVPOFOPSA-N -1 1 354.225 3.137 20 30 FGEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@H]1CCCO1 ZINC000845845185 730902557 /nfs/dbraw/zinc/90/25/57/730902557.db2.gz WIKYXRYAALHQIG-HIHHVFROSA-N -1 1 354.225 3.137 20 30 FGEDMM N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852060377 731539816 /nfs/dbraw/zinc/53/98/16/731539816.db2.gz DNMPZRUUDIYSSA-SMDDNHRTSA-N -1 1 359.779 3.295 20 30 FGEDMM N#C[C@H](C(=O)Cc1cscn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000853096710 731664815 /nfs/dbraw/zinc/66/48/15/731664815.db2.gz KIZGCQNJROPQFY-LLVKDONJSA-N -1 1 370.459 3.151 20 30 FGEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000872491334 735638858 /nfs/dbraw/zinc/63/88/58/735638858.db2.gz RHEZNOWVTURUPF-IQMFZBJNSA-N -1 1 371.528 3.152 20 30 FGEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000872491336 735638914 /nfs/dbraw/zinc/63/89/14/735638914.db2.gz RHEZNOWVTURUPF-WNSKOXEYSA-N -1 1 371.528 3.152 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CC3CC3)s2)cc1 ZINC000892503667 740008604 /nfs/dbraw/zinc/00/86/04/740008604.db2.gz OOSBLPSFZZEJCJ-AWEZNQCLSA-N -1 1 355.419 3.065 20 30 FGEDMM Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])cnn1CCC#N ZINC000897331264 742668966 /nfs/dbraw/zinc/66/89/66/742668966.db2.gz LOUQCPSGMBRPJY-UHFFFAOYSA-N -1 1 363.215 3.134 20 30 FGEDMM C[C@@H]1C[C@@H](NN=Cc2csc(=NC(=O)OC(C)(C)C)[n-]2)C[C@H](C)O1 ZINC000901301953 743249798 /nfs/dbraw/zinc/24/97/98/743249798.db2.gz YOVXNMJEVMPWOB-ZSBIGDGJSA-N -1 1 354.476 3.370 20 30 FGEDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2C1 ZINC000901648361 743610145 /nfs/dbraw/zinc/61/01/45/743610145.db2.gz APQJVYJOZGGLHD-SFHVURJKSA-N -1 1 356.447 3.057 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1nnn(C)c1C(F)(F)F ZINC000903220423 743824124 /nfs/dbraw/zinc/82/41/24/743824124.db2.gz MDFMACKUGMITEJ-SECBINFHSA-N -1 1 369.372 3.338 20 30 FGEDMM CS(=O)(=O)c1ccc(NN=Cc2cccc(Br)c2[O-])cc1 ZINC000915960509 758011577 /nfs/dbraw/zinc/01/15/77/758011577.db2.gz GLUINJAJDFGNCX-UHFFFAOYSA-N -1 1 369.240 3.004 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c(Cl)c1 ZINC000570889958 505603699 /nfs/dbraw/zinc/60/36/99/505603699.db2.gz ZOCTUJPATOITHN-UHFFFAOYSA-N -1 1 356.781 3.282 20 30 FGEDMM CC(C)n1c(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068446762 493821954 /nfs/dbraw/zinc/82/19/54/493821954.db2.gz QZOVXBFQOTWPKR-UHFFFAOYSA-N -1 1 355.467 3.413 20 30 FGEDMM CCn1c(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)n[n-]c1=S ZINC000068453784 493824101 /nfs/dbraw/zinc/82/41/01/493824101.db2.gz GTLKIMKJEJKRMQ-UHFFFAOYSA-N -1 1 355.467 3.046 20 30 FGEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1 ZINC000580146432 505687701 /nfs/dbraw/zinc/68/77/01/505687701.db2.gz MPMXAWORDGFBPH-UHFFFAOYSA-N -1 1 372.381 3.165 20 30 FGEDMM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000008316791 494083924 /nfs/dbraw/zinc/08/39/24/494083924.db2.gz ALEWWXQDHABVNZ-UHFFFAOYSA-N -1 1 350.827 3.057 20 30 FGEDMM N#Cc1ccc(CN2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000017843572 494417995 /nfs/dbraw/zinc/41/79/95/494417995.db2.gz JRLHMPFFBWTTAR-UHFFFAOYSA-N -1 1 371.440 3.375 20 30 FGEDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)n1 ZINC000132081634 494816701 /nfs/dbraw/zinc/81/67/01/494816701.db2.gz ZIPTYCZDMAIZPT-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM C=CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116987767 494880784 /nfs/dbraw/zinc/88/07/84/494880784.db2.gz HZQLSCIGALQAJQ-KBXCAEBGSA-N -1 1 352.434 3.231 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1F ZINC000102862212 495167960 /nfs/dbraw/zinc/16/79/60/495167960.db2.gz NZTAEEOMKDUDJX-UHFFFAOYSA-N -1 1 367.361 3.217 20 30 FGEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc(-c2ccncc2)cs1 ZINC000114621116 495400657 /nfs/dbraw/zinc/40/06/57/495400657.db2.gz GFJACWNMDZRIHI-AWEZNQCLSA-N -1 1 363.402 3.186 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccncc3)cc2F)c(=O)o1 ZINC000130616187 495419835 /nfs/dbraw/zinc/41/98/35/495419835.db2.gz ZXEAVKCTTLVOGO-PXPVJAHISA-N -1 1 351.333 3.116 20 30 FGEDMM C=CCN(CCC#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000580589373 505792480 /nfs/dbraw/zinc/79/24/80/505792480.db2.gz ZMDWCHQKCXRHLB-UHFFFAOYSA-N -1 1 360.211 3.245 20 30 FGEDMM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000580635731 505803208 /nfs/dbraw/zinc/80/32/08/505803208.db2.gz FJLAMPYUMZTNCE-HNNXBMFYSA-N -1 1 370.478 3.441 20 30 FGEDMM CCN(C[C@H](C)C#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000568936065 505811805 /nfs/dbraw/zinc/81/18/05/505811805.db2.gz BHQZUMCCIPIVDD-SNVBAGLBSA-N -1 1 362.227 3.325 20 30 FGEDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]n1 ZINC000160646536 496011677 /nfs/dbraw/zinc/01/16/77/496011677.db2.gz HHVRQBINUJMYML-UHFFFAOYSA-N -1 1 358.345 3.224 20 30 FGEDMM N#CCCCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184150771 496260420 /nfs/dbraw/zinc/26/04/20/496260420.db2.gz MLLDKYVVWABRNX-UHFFFAOYSA-N -1 1 372.450 3.303 20 30 FGEDMM C=CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000154131027 496692772 /nfs/dbraw/zinc/69/27/72/496692772.db2.gz OYEMFWRSBCLWAC-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000169177114 496714586 /nfs/dbraw/zinc/71/45/86/496714586.db2.gz VTKVYFAMNDEWQT-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c2ccccc12 ZINC000182261761 496723070 /nfs/dbraw/zinc/72/30/70/496723070.db2.gz TTWPWPKAFARLMA-UHFFFAOYSA-N -1 1 365.414 3.471 20 30 FGEDMM Cc1ccc(Cn2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2=O)cc1 ZINC000189014463 496978756 /nfs/dbraw/zinc/97/87/56/496978756.db2.gz XFOIANTULDFCNL-UHFFFAOYSA-N -1 1 359.385 3.035 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)cc1[O-] ZINC000189071428 496998088 /nfs/dbraw/zinc/99/80/88/496998088.db2.gz MYIKNPNXXQWQHP-CYBMUJFWSA-N -1 1 359.788 3.065 20 30 FGEDMM CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189070718 496998970 /nfs/dbraw/zinc/99/89/70/496998970.db2.gz FYKZSLHWAMJJOO-UHFFFAOYSA-N -1 1 364.323 3.434 20 30 FGEDMM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000189222974 497050621 /nfs/dbraw/zinc/05/06/21/497050621.db2.gz WROXCSQTCOSGJN-COXVUDFISA-N -1 1 370.449 3.379 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000226136455 497081816 /nfs/dbraw/zinc/08/18/16/497081816.db2.gz QGXBNLRBGCCONH-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM O=C([N-]C1CCN(CC(F)(F)F)CC1)C(F)(F)c1c(F)cccc1F ZINC000270239633 497084049 /nfs/dbraw/zinc/08/40/49/497084049.db2.gz QHABTABQFHIHOA-UHFFFAOYSA-N -1 1 372.284 3.200 20 30 FGEDMM C=CCc1cc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc(OC)c1O ZINC000278708412 497196483 /nfs/dbraw/zinc/19/64/83/497196483.db2.gz JXOHGLAHIAAOSA-XYOKQWHBSA-N -1 1 370.405 3.362 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CC#N)cc2)c1 ZINC000194742275 497756411 /nfs/dbraw/zinc/75/64/11/497756411.db2.gz XFLGQHMVOKPSQW-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCCc3cn[nH]c32)s[n-]1 ZINC000329974647 497975799 /nfs/dbraw/zinc/97/57/99/497975799.db2.gz XOJVCIUAAFTGGE-SNVBAGLBSA-N -1 1 360.468 3.124 20 30 FGEDMM C=CCOc1ccc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000286137483 498302282 /nfs/dbraw/zinc/30/22/82/498302282.db2.gz YRODVMYQWPXFTM-UHFFFAOYSA-N -1 1 373.478 3.026 20 30 FGEDMM N#CC1CCC(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000282058336 498373325 /nfs/dbraw/zinc/37/33/25/498373325.db2.gz BXKCHIPLJXAHQF-UHFFFAOYSA-N -1 1 366.259 3.284 20 30 FGEDMM N#CC1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000290255240 498484419 /nfs/dbraw/zinc/48/44/19/498484419.db2.gz UQRZLLQZONHAJI-UHFFFAOYSA-N -1 1 360.211 3.079 20 30 FGEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(Br)c1 ZINC000302673528 498529810 /nfs/dbraw/zinc/52/98/10/498529810.db2.gz MLWOGXIKOYSZAD-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)C[C@@H](C)C[C@@H]4C)nn21 ZINC000297982567 498629392 /nfs/dbraw/zinc/62/93/92/498629392.db2.gz XGCUYVUPGDLSKF-UWVGGRQHSA-N -1 1 366.450 3.304 20 30 FGEDMM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nc2ccccc2n1C(F)F ZINC000581863152 506076982 /nfs/dbraw/zinc/07/69/82/506076982.db2.gz FSOANNZHXUGOFR-NSHDSACASA-N -1 1 355.348 3.454 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000323006448 498819727 /nfs/dbraw/zinc/81/97/27/498819727.db2.gz MKRJQRORNCTPLQ-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000410395615 499660044 /nfs/dbraw/zinc/66/00/44/499660044.db2.gz CVSSJCCTDVPGQM-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM N#CCCn1cc(CNCc2cc(C(=O)[O-])co2)c(-c2ccccc2)n1 ZINC000426687883 500306327 /nfs/dbraw/zinc/30/63/27/500306327.db2.gz NDMHYWIBYHEMPH-UHFFFAOYSA-N -1 1 350.378 3.045 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447272408 500583026 /nfs/dbraw/zinc/58/30/26/500583026.db2.gz CKDZUJDSFHATLE-UHFFFAOYSA-N -1 1 360.288 3.239 20 30 FGEDMM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1nc2ccccc2s1 ZINC000442615808 500604950 /nfs/dbraw/zinc/60/49/50/500604950.db2.gz KHVDUVRLRCPFGI-HNNXBMFYSA-N -1 1 359.414 3.426 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccncc2)cs1 ZINC000442981341 500658479 /nfs/dbraw/zinc/65/84/79/500658479.db2.gz JFLDMMYLYPYIDR-NSHDSACASA-N -1 1 350.403 3.273 20 30 FGEDMM Cc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000448704767 500808906 /nfs/dbraw/zinc/80/89/06/500808906.db2.gz OOXMVBUUGVYGFG-AUUYWEPGSA-N -1 1 369.446 3.284 20 30 FGEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc21 ZINC000435739648 501020875 /nfs/dbraw/zinc/02/08/75/501020875.db2.gz YHBDOVNFHPTZMC-UHFFFAOYSA-N -1 1 369.446 3.269 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000452088344 501432580 /nfs/dbraw/zinc/43/25/80/501432580.db2.gz NZERXCKYTNDWKZ-TZMCWYRMSA-N -1 1 350.827 3.419 20 30 FGEDMM C=CCC1(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCCC1 ZINC000456490813 501536306 /nfs/dbraw/zinc/53/63/06/501536306.db2.gz YGIJFQRIPISHCG-UHFFFAOYSA-N -1 1 356.470 3.237 20 30 FGEDMM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)(C1CC1)C(F)(F)F ZINC000479142989 502175069 /nfs/dbraw/zinc/17/50/69/502175069.db2.gz RZEPBMANDFTSIS-GFCCVEGCSA-N -1 1 352.765 3.221 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000465117653 502195828 /nfs/dbraw/zinc/19/58/28/502195828.db2.gz VFKWBGHHAVTKCJ-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl ZINC000475797327 502294692 /nfs/dbraw/zinc/29/46/92/502294692.db2.gz OAEDPGHDZMMIES-UHFFFAOYSA-N -1 1 363.826 3.165 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C#N ZINC000475819326 502299995 /nfs/dbraw/zinc/29/99/95/502299995.db2.gz FOXJFKAKOSVCEP-UHFFFAOYSA-N -1 1 355.419 3.212 20 30 FGEDMM C[C@H](N=c1[n-]c(C#N)c(Cl)s1)C1CCN(CC(F)(F)F)CC1 ZINC000596202353 506306961 /nfs/dbraw/zinc/30/69/61/506306961.db2.gz TYYZMCOJAULCRU-QMMMGPOBSA-N -1 1 352.813 3.165 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(OC)c1C(C)C ZINC000484235808 502603958 /nfs/dbraw/zinc/60/39/58/502603958.db2.gz SNRMJLGLSOPCJO-UHFFFAOYSA-N -1 1 360.435 3.500 20 30 FGEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000508092739 503429279 /nfs/dbraw/zinc/42/92/79/503429279.db2.gz FHCVYRGJIAWECV-JTQLQIEISA-N -1 1 359.325 3.369 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[n-]c(=O)c1C ZINC000540711652 503864131 /nfs/dbraw/zinc/86/41/31/503864131.db2.gz AXLDOGUKTURHDP-SNVBAGLBSA-N -1 1 362.842 3.443 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2CC)n1 ZINC000517915884 503867349 /nfs/dbraw/zinc/86/73/49/503867349.db2.gz SURFNILAYXVTIH-LLVKDONJSA-N -1 1 360.439 3.150 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000548603431 504491858 /nfs/dbraw/zinc/49/18/58/504491858.db2.gz LNXNYVXMQADCKQ-ZDUSSCGKSA-N -1 1 372.343 3.322 20 30 FGEDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000560254451 505030367 /nfs/dbraw/zinc/03/03/67/505030367.db2.gz PDYAWHMDYGTYDS-LBPRGKRZSA-N -1 1 354.781 3.415 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)cc1[O-] ZINC000557177994 505085845 /nfs/dbraw/zinc/08/58/45/505085845.db2.gz GMVHFKVUMWYURR-INIZCTEOSA-N -1 1 372.222 3.302 20 30 FGEDMM CC#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000561700476 505412922 /nfs/dbraw/zinc/41/29/22/505412922.db2.gz DGSIFABPKAGZCX-UHFFFAOYSA-N -1 1 374.437 3.030 20 30 FGEDMM N#Cc1cccc(CS(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)c1 ZINC000599414792 506445278 /nfs/dbraw/zinc/44/52/78/506445278.db2.gz IOGDLOZHSVYANE-QGZVFWFLSA-N -1 1 364.417 3.244 20 30 FGEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)nn1-c1cccc(Cl)c1 ZINC000589198328 506481287 /nfs/dbraw/zinc/48/12/87/506481287.db2.gz ZSYAXRLMOYMMPC-UHFFFAOYSA-N -1 1 352.781 3.086 20 30 FGEDMM CC(C)N(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000608814383 506717722 /nfs/dbraw/zinc/71/77/22/506717722.db2.gz RGDSNIHOMUVBBQ-UHFFFAOYSA-N -1 1 371.462 3.252 20 30 FGEDMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000600650966 507051454 /nfs/dbraw/zinc/05/14/54/507051454.db2.gz AJADNMZOUOKFBP-CQSZACIVSA-N -1 1 362.373 3.134 20 30 FGEDMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)[C@@H](C)C#N ZINC000598347664 507387452 /nfs/dbraw/zinc/38/74/52/507387452.db2.gz XDMZLSVDBBQBJG-HNNXBMFYSA-N -1 1 371.462 3.170 20 30 FGEDMM N#Cc1ccc(C2(NC(=O)Cc3ccc([O-])c(Cl)c3)CCOCC2)cc1 ZINC000601681874 507424888 /nfs/dbraw/zinc/42/48/88/507424888.db2.gz AQFMZDLBZHVLLO-UHFFFAOYSA-N -1 1 370.836 3.282 20 30 FGEDMM Cn1ccnc1Sc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614358641 507476372 /nfs/dbraw/zinc/47/63/72/507476372.db2.gz DMXNTIIUFRRXAR-UHFFFAOYSA-N -1 1 350.403 3.401 20 30 FGEDMM CN(Cc1csc(Br)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614366366 507481196 /nfs/dbraw/zinc/48/11/96/507481196.db2.gz SIZMAMLHZVROMA-UHFFFAOYSA-N -1 1 351.225 3.360 20 30 FGEDMM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614366158 507481525 /nfs/dbraw/zinc/48/15/25/507481525.db2.gz AFDYLUDFOHKQLI-IBGZPJMESA-N -1 1 366.417 3.094 20 30 FGEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC000614365566 507481608 /nfs/dbraw/zinc/48/16/08/507481608.db2.gz XQTKBWPRVSBZAX-QGZVFWFLSA-N -1 1 352.390 3.382 20 30 FGEDMM COC(=O)c1sc(NC(=O)c2cc([O-])cc(C#N)c2)nc1C(C)(C)C ZINC000614370983 507483073 /nfs/dbraw/zinc/48/30/73/507483073.db2.gz YOEBOCSONGZMJW-UHFFFAOYSA-N -1 1 359.407 3.057 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000614369902 507483461 /nfs/dbraw/zinc/48/34/61/507483461.db2.gz PJPOBFNXFOBOQM-RBUKOAKNSA-N -1 1 352.390 3.198 20 30 FGEDMM Cc1nc([C@@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccc(Cl)cc2)no1 ZINC000614374044 507484342 /nfs/dbraw/zinc/48/43/42/507484342.db2.gz UXEYZVXIAAGKED-INIZCTEOSA-N -1 1 368.780 3.128 20 30 FGEDMM Cn1cc(CCNC(=O)c2cc([O-])cc(C#N)c2)c2ccc(Cl)cc21 ZINC000614882537 507684662 /nfs/dbraw/zinc/68/46/62/507684662.db2.gz RMOODIZMUUSIBX-UHFFFAOYSA-N -1 1 353.809 3.381 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[n-]c(=O)c1C ZINC000611468960 507694961 /nfs/dbraw/zinc/69/49/61/507694961.db2.gz QCWAAMOJYKLKJU-JTQLQIEISA-N -1 1 374.491 3.340 20 30 FGEDMM CCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1cc(Cl)ccc1OC ZINC000736304248 599457425 /nfs/dbraw/zinc/45/74/25/599457425.db2.gz MLWRKNUCJIQQSN-UHFFFAOYSA-N -1 1 361.793 3.051 20 30 FGEDMM N#Cc1ccc([C@H](Sc2nc(-c3ccccc3F)n[nH]2)C(=O)[O-])cc1 ZINC000739116946 600935540 /nfs/dbraw/zinc/93/55/40/600935540.db2.gz GFFPMHNMYPQICB-AWEZNQCLSA-N -1 1 354.366 3.400 20 30 FGEDMM Cc1cc(CON=C(N)c2ccc(N3CCCCC3)cc2)oc1C(=O)[O-] ZINC000832885190 601056520 /nfs/dbraw/zinc/05/65/20/601056520.db2.gz LCPUZEHQQXQAEQ-UHFFFAOYSA-N -1 1 357.410 3.114 20 30 FGEDMM N#Cc1ccccc1N1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833074988 601620734 /nfs/dbraw/zinc/62/07/34/601620734.db2.gz IBTQPVXRXJHIOQ-UHFFFAOYSA-N -1 1 353.397 3.108 20 30 FGEDMM Cc1cc(C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000740058722 602670104 /nfs/dbraw/zinc/67/01/04/602670104.db2.gz CLUIDGOUWVCULC-JKSUJKDBSA-N -1 1 352.394 3.059 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825256482 604161218 /nfs/dbraw/zinc/16/12/18/604161218.db2.gz YJNSURLQGRBTLS-UKRRQHHQSA-N -1 1 354.372 3.425 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)[nH]c21 ZINC000830531003 604417280 /nfs/dbraw/zinc/41/72/80/604417280.db2.gz AAAVFQCNNXIBSA-RRFJBIMHSA-N -1 1 368.437 3.464 20 30 FGEDMM Fc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c(Br)c1 ZINC000822782829 606368993 /nfs/dbraw/zinc/36/89/93/606368993.db2.gz INVXXRUFJPATFI-UHFFFAOYSA-N -1 1 367.207 3.276 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccc(F)cc3)C2)o1 ZINC000820198206 607035778 /nfs/dbraw/zinc/03/57/78/607035778.db2.gz SKGYLROJIIASJA-UHFFFAOYSA-N -1 1 355.377 3.463 20 30 FGEDMM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402821 608094124 /nfs/dbraw/zinc/09/41/24/608094124.db2.gz CQQNVZGYRSSUJT-VOTSOKGWSA-N -1 1 362.418 3.069 20 30 FGEDMM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402821 608094125 /nfs/dbraw/zinc/09/41/25/608094125.db2.gz CQQNVZGYRSSUJT-VOTSOKGWSA-N -1 1 362.418 3.069 20 30 FGEDMM N#Cc1ccncc1NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826387646 608787380 /nfs/dbraw/zinc/78/73/80/608787380.db2.gz IDHLVDGPZGBOGX-UHFFFAOYSA-N -1 1 359.418 3.474 20 30 FGEDMM C[C@@H](Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC000824662309 609351144 /nfs/dbraw/zinc/35/11/44/609351144.db2.gz IGQPRFYKXOJLKS-GFCCVEGCSA-N -1 1 374.383 3.236 20 30 FGEDMM C=CCOc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000091161157 700415873 /nfs/dbraw/zinc/41/58/73/700415873.db2.gz SHHMVTSULMBVDF-UHFFFAOYSA-N -1 1 364.398 3.014 20 30 FGEDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)on1 ZINC000122299934 700687490 /nfs/dbraw/zinc/68/74/90/700687490.db2.gz IUAZRSOPGARUKK-UHFFFAOYSA-N -1 1 351.403 3.067 20 30 FGEDMM C#CCSCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151724319 704934674 /nfs/dbraw/zinc/93/46/74/704934674.db2.gz IGZJPOXJTLBHDF-UHFFFAOYSA-N -1 1 357.806 3.004 20 30 FGEDMM C#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000155947837 705095943 /nfs/dbraw/zinc/09/59/43/705095943.db2.gz PIPLNUQSZRHVSA-UHFFFAOYSA-N -1 1 356.447 3.021 20 30 FGEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000205814473 713563800 /nfs/dbraw/zinc/56/38/00/713563800.db2.gz WJYOWEQIVPWHON-RJRFIUFISA-N -1 1 374.190 3.382 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccc(F)cc3)n2)c(=O)o1 ZINC000255756132 713706142 /nfs/dbraw/zinc/70/61/42/713706142.db2.gz NZNWRXNMCDQILH-WLMCBFPDSA-N -1 1 357.362 3.177 20 30 FGEDMM CC1(C)Cc2nc(NC(=O)c3csc(=NC4CC4)[n-]3)sc2C(=O)C1 ZINC000329539729 713830276 /nfs/dbraw/zinc/83/02/76/713830276.db2.gz WFBZZUMKFHIHAM-UHFFFAOYSA-N -1 1 362.480 3.387 20 30 FGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1OCC ZINC000619461240 714838456 /nfs/dbraw/zinc/83/84/56/714838456.db2.gz ATLAPPAHNFHPBG-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM C#C[C@@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccc(Cl)cc1F ZINC000804422825 724515499 /nfs/dbraw/zinc/51/54/99/724515499.db2.gz YJGQDZYGCSWHKO-GFCCVEGCSA-N -1 1 365.817 3.109 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1 ZINC000781021888 724521580 /nfs/dbraw/zinc/52/15/80/724521580.db2.gz TWHQWWMJMUNJRM-CQSZACIVSA-N -1 1 361.195 3.007 20 30 FGEDMM N#CCn1c(C(=O)Nc2nc(Br)ccc2[O-])cc2ccccc21 ZINC000783906771 724802156 /nfs/dbraw/zinc/80/21/56/724802156.db2.gz ZOXFOQNDOBMLPF-UHFFFAOYSA-N -1 1 371.194 3.280 20 30 FGEDMM Cc1ccc([C@H]2CCCC2=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000741847638 722549588 /nfs/dbraw/zinc/54/95/88/722549588.db2.gz OHNZCRBMYAUYED-OAHLLOKOSA-N -1 1 353.447 3.357 20 30 FGEDMM CCc1cc2c(COC(=O)c3ccc(C#N)s3)cc(=O)oc2cc1[O-] ZINC000750397641 722766138 /nfs/dbraw/zinc/76/61/38/722766138.db2.gz QHUBKOIPAKLPJP-UHFFFAOYSA-N -1 1 355.371 3.351 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1sc(C(C)C)nc1C ZINC000751130648 722795754 /nfs/dbraw/zinc/79/57/54/722795754.db2.gz LVJDETJIDOKTCY-UHFFFAOYSA-N -1 1 362.480 3.038 20 30 FGEDMM N#C[C@@H](C(=O)C1CC(F)(F)C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000753797204 722913640 /nfs/dbraw/zinc/91/36/40/722913640.db2.gz CZQPOASEXGSHLJ-JTQLQIEISA-N -1 1 363.389 3.497 20 30 FGEDMM CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1cccc(F)c1[O-] ZINC000755662183 722955548 /nfs/dbraw/zinc/95/55/48/722955548.db2.gz YOWDBOSPXHDIBD-UHFFFAOYSA-N -1 1 365.430 3.054 20 30 FGEDMM COC[C@@H](C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000756227013 722961955 /nfs/dbraw/zinc/96/19/55/722961955.db2.gz NIYJCSYLHGPGDZ-CMPLNLGQSA-N -1 1 359.451 3.125 20 30 FGEDMM CC#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000760273682 723046003 /nfs/dbraw/zinc/04/60/03/723046003.db2.gz LNOBCILYWSQGHU-UHFFFAOYSA-N -1 1 357.431 3.366 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(OC)c2)c1 ZINC000760511545 723060593 /nfs/dbraw/zinc/06/05/93/723060593.db2.gz YOPNWPAQENNBKQ-UHFFFAOYSA-N -1 1 366.236 3.240 20 30 FGEDMM N#CCSc1ccccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000790046924 723099008 /nfs/dbraw/zinc/09/90/08/723099008.db2.gz QSWCPHJCFYZZQH-UHFFFAOYSA-N -1 1 364.224 3.418 20 30 FGEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790926688 723194442 /nfs/dbraw/zinc/19/44/42/723194442.db2.gz NQIAYFJRARTMGY-UHFFFAOYSA-N -1 1 354.753 3.061 20 30 FGEDMM C#C[C@@H](CCC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000791202910 723219940 /nfs/dbraw/zinc/21/99/40/723219940.db2.gz WAWJSXJRGNVCDX-INIZCTEOSA-N -1 1 356.447 3.019 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1nc2ccc(Cl)cc2n1C ZINC000763371060 723338155 /nfs/dbraw/zinc/33/81/55/723338155.db2.gz YNKSXARHRLELRR-UHFFFAOYSA-N -1 1 358.785 3.380 20 30 FGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1occ2c1CCOC2 ZINC000796794555 723655334 /nfs/dbraw/zinc/65/53/34/723655334.db2.gz UWRQEODLPFNTLA-LBPRGKRZSA-N -1 1 362.744 3.106 20 30 FGEDMM N#CCCC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000814288126 726953902 /nfs/dbraw/zinc/95/39/02/726953902.db2.gz QBFSRPOFGMUQKN-AWEZNQCLSA-N -1 1 365.436 3.370 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC[C@@H]2CCCOC2)cc1 ZINC000814830090 727004464 /nfs/dbraw/zinc/00/44/64/727004464.db2.gz WOESWJSSHUXZNO-HNNXBMFYSA-N -1 1 359.451 3.312 20 30 FGEDMM C[C@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H](C)O1 ZINC000834956458 729847869 /nfs/dbraw/zinc/84/78/69/729847869.db2.gz VDVXTNWOTYAHPA-KBPBESRZSA-N -1 1 359.451 3.453 20 30 FGEDMM CCCCCCCCCS(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccn1 ZINC000844824618 730775195 /nfs/dbraw/zinc/77/51/95/730775195.db2.gz CWWPCKODZAPGLZ-UHFFFAOYSA-N -1 1 355.504 3.276 20 30 FGEDMM COc1cc(C(=O)/C=C\c2c(C(F)(F)F)cnn2C)cc(OC)c1[O-] ZINC000849248932 731237762 /nfs/dbraw/zinc/23/77/62/731237762.db2.gz ARTIMOPMNILGEX-PLNGDYQASA-N -1 1 356.300 3.058 20 30 FGEDMM Cc1ccc(F)c([O-])c1C=Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000901127494 743226149 /nfs/dbraw/zinc/22/61/49/743226149.db2.gz YUXFZIICIJLLIT-UHFFFAOYSA-N -1 1 357.410 3.372 20 30 FGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1OC ZINC000901589914 743593905 /nfs/dbraw/zinc/59/39/05/743593905.db2.gz CGECLNNXIAVDQY-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM CC(C)(Cc1ccc(C#N)cc1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000921447275 758717407 /nfs/dbraw/zinc/71/74/07/758717407.db2.gz DGMYEJPXYPOTCX-UHFFFAOYSA-N -1 1 354.378 3.388 20 30 FGEDMM N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000579704358 505605169 /nfs/dbraw/zinc/60/51/69/505605169.db2.gz HTRKOKMHYXBMRQ-JTQLQIEISA-N -1 1 355.785 3.232 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000070430526 494043582 /nfs/dbraw/zinc/04/35/82/494043582.db2.gz HJXWYGHTIBCFDT-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@H](C)C#N)c2)c1 ZINC000053077699 494090810 /nfs/dbraw/zinc/09/08/10/494090810.db2.gz DWKCAAMYEXDZKV-OAHLLOKOSA-N -1 1 371.462 3.028 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000066587682 494360726 /nfs/dbraw/zinc/36/07/26/494360726.db2.gz PGNGVYGSXPCHFD-UHFFFAOYSA-N -1 1 360.435 3.401 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000055619599 494374270 /nfs/dbraw/zinc/37/42/70/494374270.db2.gz XLQSELNSIINYHS-UHFFFAOYSA-N -1 1 368.817 3.196 20 30 FGEDMM N#Cc1ccccc1N1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000047138626 494641526 /nfs/dbraw/zinc/64/15/26/494641526.db2.gz SBALTUFTXAICQB-UHFFFAOYSA-N -1 1 355.825 3.270 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000116854732 494862155 /nfs/dbraw/zinc/86/21/55/494862155.db2.gz ZNNXPVQHDFUQNG-CYBMUJFWSA-N -1 1 362.426 3.321 20 30 FGEDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000109713136 494910755 /nfs/dbraw/zinc/91/07/55/494910755.db2.gz LAGLRHLOXHGQQF-MRVPVSSYSA-N -1 1 368.340 3.192 20 30 FGEDMM CC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000127353607 494932242 /nfs/dbraw/zinc/93/22/42/494932242.db2.gz NCORQCIAGAPCDE-LJQANCHMSA-N -1 1 371.462 3.218 20 30 FGEDMM Cc1cc(C)n2nc(C(=O)[N-]c3cc(C(C)(C)C)sc3C#N)nc2n1 ZINC000154272576 495563207 /nfs/dbraw/zinc/56/32/07/495563207.db2.gz HUIRIDXKKQTMHL-UHFFFAOYSA-N -1 1 354.439 3.224 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Br ZINC000147472120 495575933 /nfs/dbraw/zinc/57/59/33/495575933.db2.gz BJWHLAJWIMQRNL-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1C ZINC000180175884 495892376 /nfs/dbraw/zinc/89/23/76/495892376.db2.gz IEKKPJRQCVWYNR-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C=C[C@H](CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000152062165 496036124 /nfs/dbraw/zinc/03/61/24/496036124.db2.gz ZKEUQWOXPBZMMT-CQSZACIVSA-N -1 1 374.462 3.365 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1Cl ZINC000156145369 496170124 /nfs/dbraw/zinc/17/01/24/496170124.db2.gz REGLPYHKFILPJV-SNVBAGLBSA-N -1 1 365.798 3.159 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000177990601 496278142 /nfs/dbraw/zinc/27/81/42/496278142.db2.gz UXNSCUBKJVAEGJ-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590901 496356437 /nfs/dbraw/zinc/35/64/37/496356437.db2.gz KHZBWLSKFFHETH-AWEZNQCLSA-N -1 1 371.462 3.196 20 30 FGEDMM CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000184901963 496577599 /nfs/dbraw/zinc/57/75/99/496577599.db2.gz ADQDYDVXTBEXPZ-AWEZNQCLSA-N -1 1 358.419 3.012 20 30 FGEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000173355156 496656413 /nfs/dbraw/zinc/65/64/13/496656413.db2.gz KSNUFNWQSIETER-HNNXBMFYSA-N -1 1 368.842 3.033 20 30 FGEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2Br)n1 ZINC000191504312 496786764 /nfs/dbraw/zinc/78/67/64/496786764.db2.gz VMCFSYNBHWKZEG-UHFFFAOYSA-N -1 1 350.241 3.259 20 30 FGEDMM Cc1nc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(Cl)cc2)no1 ZINC000189089078 497004838 /nfs/dbraw/zinc/00/48/38/497004838.db2.gz JRWKMWJWMQZUKX-MRXNPFEDSA-N -1 1 368.780 3.128 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCC#N)c2)c1 ZINC000273116152 497800804 /nfs/dbraw/zinc/80/08/04/497800804.db2.gz PINPVYSYUFIUGR-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c1 ZINC000329737657 497885778 /nfs/dbraw/zinc/88/57/78/497885778.db2.gz MGTMRPGORIOGGP-NWANDNLSSA-N -1 1 366.483 3.495 20 30 FGEDMM N#Cc1ccc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)nc1 ZINC000301201136 497996610 /nfs/dbraw/zinc/99/66/10/497996610.db2.gz WPEUEHPCVOQJEU-UHFFFAOYSA-N -1 1 364.430 3.366 20 30 FGEDMM COc1ccc(NC(=O)N[C@H]2CCCCC2(C)C)cc1[N-]S(C)(=O)=O ZINC000330999114 498233678 /nfs/dbraw/zinc/23/36/78/498233678.db2.gz ZBNKVVZOIDPXGS-HNNXBMFYSA-N -1 1 369.487 3.171 20 30 FGEDMM N#Cc1ccc(OC2CCN(C(=O)c3ccc([O-])cc3F)CC2)c(F)c1 ZINC000286601261 498448584 /nfs/dbraw/zinc/44/85/84/498448584.db2.gz IKCGQEAEZSWINY-UHFFFAOYSA-N -1 1 358.344 3.226 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000581678543 506042983 /nfs/dbraw/zinc/04/29/83/506042983.db2.gz RCBCTPQVYBCBPN-GXFFZTMASA-N -1 1 356.403 3.133 20 30 FGEDMM Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1 ZINC000321253330 498812321 /nfs/dbraw/zinc/81/23/21/498812321.db2.gz KQWCGYWTWFGILW-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1-c1ccncc1 ZINC000366752751 499060681 /nfs/dbraw/zinc/06/06/81/499060681.db2.gz POSBTDILPMARPU-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000416590941 500068838 /nfs/dbraw/zinc/06/88/38/500068838.db2.gz NRDOMDSRJSYNJJ-UHFFFAOYSA-N -1 1 365.405 3.007 20 30 FGEDMM C=CCCCS(=O)(=O)[N-]c1n[nH]c(CC)c1-c1ccc2c(c1)OCO2 ZINC000427783946 500432052 /nfs/dbraw/zinc/43/20/52/500432052.db2.gz MGJIOLTXMDRRAI-UHFFFAOYSA-N -1 1 363.439 3.076 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)cc1Cl ZINC000570556255 506195403 /nfs/dbraw/zinc/19/54/03/506195403.db2.gz XZBSYRZLBXEFBN-UHFFFAOYSA-N -1 1 372.837 3.257 20 30 FGEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cc1[O-] ZINC000443051478 500669698 /nfs/dbraw/zinc/66/96/98/500669698.db2.gz ONWHUNGCHGLSHX-UHFFFAOYSA-N -1 1 350.418 3.211 20 30 FGEDMM C=CCN(CC=C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000448316141 500747336 /nfs/dbraw/zinc/74/73/36/500747336.db2.gz PITZZRZNZLXONZ-LJQANCHMSA-N -1 1 364.445 3.351 20 30 FGEDMM N#Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c(Cl)c1 ZINC000444523168 500855548 /nfs/dbraw/zinc/85/55/48/500855548.db2.gz AHYLARBVNWVIEB-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM N#CC(=C([O-])c1ccnc(Oc2ccc(F)cc2F)c1)c1ccncn1 ZINC000434643749 500871470 /nfs/dbraw/zinc/87/14/70/500871470.db2.gz RPBHGZCGCNWAFV-ZDUSSCGKSA-N -1 1 352.300 3.432 20 30 FGEDMM CC(C)[C@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436557780 501156564 /nfs/dbraw/zinc/15/65/64/501156564.db2.gz ONUVZMQFDCCDCC-INIZCTEOSA-N -1 1 373.359 3.201 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c2cccnc12 ZINC000446793193 501166048 /nfs/dbraw/zinc/16/60/48/501166048.db2.gz OPNXKKGIHRXSTM-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c(F)c1 ZINC000436635579 501174459 /nfs/dbraw/zinc/17/44/59/501174459.db2.gz LZDPAMZAPAUFFX-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(OC)c(OC)cc2C)n1 ZINC000447120426 501206594 /nfs/dbraw/zinc/20/65/94/501206594.db2.gz GTHQHXWVVJJDPS-LBPRGKRZSA-N -1 1 374.418 3.136 20 30 FGEDMM CCCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)c(C(=O)[O-])c1 ZINC000463528898 501752122 /nfs/dbraw/zinc/75/21/22/501752122.db2.gz RYQGTMPSGZNMIC-UHFFFAOYSA-N -1 1 374.418 3.018 20 30 FGEDMM C[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000467926576 501908348 /nfs/dbraw/zinc/90/83/48/501908348.db2.gz IWHSRBRBMQZSGS-LLVKDONJSA-N -1 1 363.826 3.239 20 30 FGEDMM C[C@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000467938226 501910121 /nfs/dbraw/zinc/91/01/21/501910121.db2.gz NBXAFQZEJNCHKJ-LLVKDONJSA-N -1 1 363.826 3.239 20 30 FGEDMM N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464419315 501984505 /nfs/dbraw/zinc/98/45/05/501984505.db2.gz CZZMQNCQUZTMDM-AWEZNQCLSA-N -1 1 371.322 3.230 20 30 FGEDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2O1 ZINC000475808690 502297557 /nfs/dbraw/zinc/29/75/57/502297557.db2.gz JRQOOWKREJZIFR-GOSISDBHSA-N -1 1 358.419 3.451 20 30 FGEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc2cc(F)ccc2s1 ZINC000592973299 506317653 /nfs/dbraw/zinc/31/76/53/506317653.db2.gz CJOLAILBVKEHHX-GFCCVEGCSA-N -1 1 354.366 3.416 20 30 FGEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000512963947 502821915 /nfs/dbraw/zinc/82/19/15/502821915.db2.gz KLHVTAXRROPSAF-AWEZNQCLSA-N -1 1 363.402 3.186 20 30 FGEDMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(F)(F)F ZINC000538669190 504321203 /nfs/dbraw/zinc/32/12/03/504321203.db2.gz VUZVJPCIKIOFGF-GFCCVEGCSA-N -1 1 352.353 3.343 20 30 FGEDMM COc1cccc(OC(F)(F)F)c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000553241624 504861365 /nfs/dbraw/zinc/86/13/65/504861365.db2.gz LTKXEZAUYNIDBD-UHFFFAOYSA-N -1 1 366.295 3.101 20 30 FGEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000557586883 505176049 /nfs/dbraw/zinc/17/60/49/505176049.db2.gz AJTFRAMDYBVLKY-UHFFFAOYSA-N -1 1 373.453 3.092 20 30 FGEDMM C[C@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557834421 505242105 /nfs/dbraw/zinc/24/21/05/505242105.db2.gz RHAUHWJJJSORBW-SNVBAGLBSA-N -1 1 358.341 3.080 20 30 FGEDMM COc1ccc(OC)c(CN(C(=O)c2cc([O-])cc(C#N)c2)C2CC2)c1 ZINC000589168676 506467835 /nfs/dbraw/zinc/46/78/35/506467835.db2.gz BPTANTRJHVCYNY-UHFFFAOYSA-N -1 1 352.390 3.086 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000589177640 506471619 /nfs/dbraw/zinc/47/16/19/506471619.db2.gz HELZLUZCGVDOEK-UHFFFAOYSA-N -1 1 373.294 3.320 20 30 FGEDMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589187743 506475781 /nfs/dbraw/zinc/47/57/81/506475781.db2.gz QDPUOMHRPFSGBJ-UHFFFAOYSA-N -1 1 352.390 3.400 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000589199851 506481889 /nfs/dbraw/zinc/48/18/89/506481889.db2.gz LCJCMZMHISPDHC-UHFFFAOYSA-N -1 1 372.306 3.143 20 30 FGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OCC ZINC000589961918 506688560 /nfs/dbraw/zinc/68/85/60/506688560.db2.gz UINNJWZXSWMWLM-UHFFFAOYSA-N -1 1 364.398 3.296 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1 ZINC000608955746 506751192 /nfs/dbraw/zinc/75/11/92/506751192.db2.gz HSVOVBUAYQYWTR-UHFFFAOYSA-N -1 1 361.419 3.229 20 30 FGEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccn1 ZINC000583673969 506906876 /nfs/dbraw/zinc/90/68/76/506906876.db2.gz DNXYMDLOBFKAIS-CYBMUJFWSA-N -1 1 364.430 3.469 20 30 FGEDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000583830310 506998908 /nfs/dbraw/zinc/99/89/08/506998908.db2.gz UDOXYAVYCSDSDP-ABKXIKBNSA-N -1 1 366.801 3.151 20 30 FGEDMM C=CCN(CCc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000584177779 507196146 /nfs/dbraw/zinc/19/61/46/507196146.db2.gz MTLIBHNDYFXQIE-KRWDZBQOSA-N -1 1 366.461 3.120 20 30 FGEDMM Cc1nc(S[C@H]2CCN(c3sccc3C#N)C2=O)[n-]c(=O)c1C1CC1 ZINC000601087308 507256116 /nfs/dbraw/zinc/25/61/16/507256116.db2.gz FYQIHJUSVVQGPJ-LBPRGKRZSA-N -1 1 372.475 3.199 20 30 FGEDMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)[C@H](C)C#N ZINC000598347539 507387911 /nfs/dbraw/zinc/38/79/11/507387911.db2.gz WAPSOPVZIWYZAP-OAHLLOKOSA-N -1 1 371.462 3.170 20 30 FGEDMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614299409 507446361 /nfs/dbraw/zinc/44/63/61/507446361.db2.gz YJJJIEHMFQYCKJ-QGZVFWFLSA-N -1 1 353.397 3.110 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[nH]nc1C(F)(F)F ZINC000611101900 507516686 /nfs/dbraw/zinc/51/66/86/507516686.db2.gz MQEUHVLHGNSHNY-UHFFFAOYSA-N -1 1 364.736 3.063 20 30 FGEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738228531 600611748 /nfs/dbraw/zinc/61/17/48/600611748.db2.gz XIOBPRBXLKPLNX-KRWDZBQOSA-N -1 1 361.357 3.240 20 30 FGEDMM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000320096518 601320533 /nfs/dbraw/zinc/32/05/33/601320533.db2.gz ZTDWZQBHRIFFDV-UHFFFAOYSA-N -1 1 370.213 3.474 20 30 FGEDMM FC(F)(F)c1ccc(CON=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826368220 607533326 /nfs/dbraw/zinc/53/33/26/607533326.db2.gz HKFQVQDRNJMWDG-UHFFFAOYSA-N -1 1 353.329 3.498 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])[nH]c21 ZINC000830533127 604158703 /nfs/dbraw/zinc/15/87/03/604158703.db2.gz RWPWDDGDVWSEPZ-JALIKCBVSA-N -1 1 366.421 3.359 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)[nH]c21 ZINC000830532145 605081718 /nfs/dbraw/zinc/08/17/18/605081718.db2.gz MIXZSLQZENLWDX-DZGCQCFKSA-N -1 1 368.437 3.464 20 30 FGEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(-n2cncn2)cc1Cl ZINC000764668226 605099541 /nfs/dbraw/zinc/09/95/41/605099541.db2.gz YMPNWNXLSNRSBK-UHFFFAOYSA-N -1 1 355.785 3.455 20 30 FGEDMM FC(F)(F)COc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822718926 606370731 /nfs/dbraw/zinc/37/07/31/606370731.db2.gz VMXADXMZWHOXII-UHFFFAOYSA-N -1 1 368.344 3.315 20 30 FGEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)S1 ZINC000822361449 606387771 /nfs/dbraw/zinc/38/77/71/606387771.db2.gz BGBYRVOVDPCCON-MDWZMJQESA-N -1 1 368.447 3.128 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822924052 606387941 /nfs/dbraw/zinc/38/79/41/606387941.db2.gz WCUAMFDTYZQCBT-GORDUTHDSA-N -1 1 361.770 3.386 20 30 FGEDMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000821160769 606505404 /nfs/dbraw/zinc/50/54/04/606505404.db2.gz PYGAKLXSSCCDGM-LLVKDONJSA-N -1 1 352.423 3.023 20 30 FGEDMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000821160769 606505406 /nfs/dbraw/zinc/50/54/06/606505406.db2.gz PYGAKLXSSCCDGM-LLVKDONJSA-N -1 1 352.423 3.023 20 30 FGEDMM CCC1(CC)C(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C[C@@H]1OC ZINC000820958163 606820240 /nfs/dbraw/zinc/82/02/40/606820240.db2.gz RZJWOULIWWBXAJ-LBPRGKRZSA-N -1 1 361.450 3.046 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCCCOc2ccccc2)o1 ZINC000824352633 607886506 /nfs/dbraw/zinc/88/65/06/607886506.db2.gz LBTJTNIYMBLZEG-UHFFFAOYSA-N -1 1 355.402 3.235 20 30 FGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400171 608093018 /nfs/dbraw/zinc/09/30/18/608093018.db2.gz RBIZTCCPUIZHSW-OWOJBTEDSA-N -1 1 374.809 3.249 20 30 FGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400171 608093019 /nfs/dbraw/zinc/09/30/19/608093019.db2.gz RBIZTCCPUIZHSW-OWOJBTEDSA-N -1 1 374.809 3.249 20 30 FGEDMM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400016 608093795 /nfs/dbraw/zinc/09/37/95/608093795.db2.gz MWHZJDITUZDTKU-UPHRSURJSA-N -1 1 360.782 3.206 20 30 FGEDMM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400016 608093796 /nfs/dbraw/zinc/09/37/96/608093796.db2.gz MWHZJDITUZDTKU-UPHRSURJSA-N -1 1 360.782 3.206 20 30 FGEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000018917939 695639100 /nfs/dbraw/zinc/63/91/00/695639100.db2.gz WJYOWEQIVPWHON-DAFODLJHSA-N -1 1 374.190 3.382 20 30 FGEDMM C=CCn1c(Cc2csc(NC(=O)c3ccsc3)n2)n[n-]c1=S ZINC000026092390 695680495 /nfs/dbraw/zinc/68/04/95/695680495.db2.gz UKWSLDKLQUWICZ-UHFFFAOYSA-N -1 1 363.493 3.488 20 30 FGEDMM N#C[C@@H](C(=O)Cc1ccsc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707093 695845375 /nfs/dbraw/zinc/84/53/75/695845375.db2.gz CSCNWZMJRRIXKZ-LBPRGKRZSA-N -1 1 369.471 3.344 20 30 FGEDMM C#CCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000170714868 705357925 /nfs/dbraw/zinc/35/79/25/705357925.db2.gz BKIYYHPSDKTVMQ-UHFFFAOYSA-N -1 1 357.431 3.366 20 30 FGEDMM C#CCCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000173787655 705471581 /nfs/dbraw/zinc/47/15/81/705471581.db2.gz IUKSJOKASKADTD-UHFFFAOYSA-N -1 1 371.083 3.448 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000174650191 705512465 /nfs/dbraw/zinc/51/24/65/705512465.db2.gz CQRDIHNXXNKUJB-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2O1 ZINC000619463854 714839331 /nfs/dbraw/zinc/83/93/31/714839331.db2.gz OHVAGDCXGUXPQE-SFHVURJKSA-N -1 1 358.419 3.451 20 30 FGEDMM N#CCOc1ccc(Cl)cc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071165 724445297 /nfs/dbraw/zinc/44/52/97/724445297.db2.gz DMZBEZZMFUBRRL-UHFFFAOYSA-N -1 1 362.725 3.213 20 30 FGEDMM C#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000727041280 722440461 /nfs/dbraw/zinc/44/04/61/722440461.db2.gz JGWRQPGMXHXZMS-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)Nc1ccccc1C#N ZINC000748478871 722693269 /nfs/dbraw/zinc/69/32/69/722693269.db2.gz OFQPIWAVXHGISI-VIFPVBQESA-N -1 1 362.744 3.240 20 30 FGEDMM COCCON=C(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000748789194 722704303 /nfs/dbraw/zinc/70/43/03/722704303.db2.gz MDXROMRMSSMSKJ-UHFFFAOYSA-N -1 1 362.451 3.183 20 30 FGEDMM [O-]c1c(Br)cccc1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000754708554 722944751 /nfs/dbraw/zinc/94/47/51/722944751.db2.gz BOJCWCPHGINWMG-UHFFFAOYSA-N -1 1 361.121 3.410 20 30 FGEDMM [O-]c1c(O)cc(C=NNCCCOc2ccccc2)cc1Br ZINC000757574377 722977137 /nfs/dbraw/zinc/97/71/37/722977137.db2.gz JPYUAPYVUWONJS-UHFFFAOYSA-N -1 1 365.227 3.253 20 30 FGEDMM N#C[C@@H](C(=O)[C@H]1CCSC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000762063393 723212049 /nfs/dbraw/zinc/21/20/49/723212049.db2.gz CMPZNBRBUPRFBM-ONGXEEELSA-N -1 1 359.476 3.205 20 30 FGEDMM C#CCOc1ccccc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000764272940 723403324 /nfs/dbraw/zinc/40/33/24/723403324.db2.gz JZWRGDHOUQHTHU-UHFFFAOYSA-N -1 1 360.207 3.097 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1F ZINC000793354726 723428362 /nfs/dbraw/zinc/42/83/62/723428362.db2.gz ZNJPEXAWOJWVHG-UHFFFAOYSA-N -1 1 360.197 3.387 20 30 FGEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2n1 ZINC000794588886 723533245 /nfs/dbraw/zinc/53/32/45/723533245.db2.gz AACWRWGTFBSWOA-UHFFFAOYSA-N -1 1 354.435 3.484 20 30 FGEDMM CC(=NNC(=S)NC[C@@H]1CCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765994652 723550547 /nfs/dbraw/zinc/55/05/47/723550547.db2.gz JAXNKDKDEAWZBT-VIFPVBQESA-N -1 1 362.282 3.066 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000773058240 723775464 /nfs/dbraw/zinc/77/54/64/723775464.db2.gz RQYCJVMFQQEDIC-NWDGAFQWSA-N -1 1 368.669 3.106 20 30 FGEDMM CCCCCCCS(=O)(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000799645735 724074156 /nfs/dbraw/zinc/07/41/56/724074156.db2.gz LGUGUCNUYZJYOT-UHFFFAOYSA-N -1 1 372.443 3.402 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C(CC2CCC2)c2ccccc2)c2ccccc21 ZINC000776185389 724116477 /nfs/dbraw/zinc/11/64/77/724116477.db2.gz JCZHVYJBZZAJLB-UHFFFAOYSA-N -1 1 353.447 3.320 20 30 FGEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Br)cc(C)c1O ZINC000777420404 724224095 /nfs/dbraw/zinc/22/40/95/724224095.db2.gz IRFZYMRUAHJSCH-UHFFFAOYSA-N -1 1 351.204 3.103 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)COc2cccc(C#N)c2)c1 ZINC000778447953 724331925 /nfs/dbraw/zinc/33/19/25/724331925.db2.gz GUZJPXSKOIDOKG-UHFFFAOYSA-N -1 1 361.195 3.352 20 30 FGEDMM N#Cc1ccccc1OCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000778826637 724365657 /nfs/dbraw/zinc/36/56/57/724365657.db2.gz DOAXKXORKSETKW-UHFFFAOYSA-N -1 1 362.179 3.262 20 30 FGEDMM N#Cc1cccc(C(=O)COC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000778829140 724366544 /nfs/dbraw/zinc/36/65/44/724366544.db2.gz LVAGMZJNBSVWIU-UHFFFAOYSA-N -1 1 360.163 3.066 20 30 FGEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000785453444 724913544 /nfs/dbraw/zinc/91/35/44/724913544.db2.gz KOWMVANZCRDBDQ-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2c(Cl)nc(Cl)n2-c2ccccc2)n1 ZINC000814681590 726992689 /nfs/dbraw/zinc/99/26/89/726992689.db2.gz SUNRFJXWTWQADM-UHFFFAOYSA-N -1 1 363.208 3.429 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000815613089 727086361 /nfs/dbraw/zinc/08/63/61/727086361.db2.gz FWRAGYKNBMAMQC-LBPRGKRZSA-N -1 1 362.298 3.138 20 30 FGEDMM C#CCCCS(=O)(=O)[N-]c1cc(Cl)ccc1Sc1nccn1C ZINC000840945855 730195055 /nfs/dbraw/zinc/19/50/55/730195055.db2.gz CYKWKBOQVQKKNA-UHFFFAOYSA-N -1 1 369.899 3.380 20 30 FGEDMM C=C[C@H](CCC(=O)[O-])NCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000841811450 730277564 /nfs/dbraw/zinc/27/75/64/730277564.db2.gz OGFFPPAVULAFAG-CYBMUJFWSA-N -1 1 351.809 3.482 20 30 FGEDMM C#C[C@](C)(CC)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000854699907 731854128 /nfs/dbraw/zinc/85/41/28/731854128.db2.gz ISIGVIDXWFFLBJ-OAHLLOKOSA-N -1 1 358.316 3.035 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C2CC2)c1 ZINC000901972428 743689813 /nfs/dbraw/zinc/68/98/13/743689813.db2.gz AAGHROKDMDXJFL-UHFFFAOYSA-N -1 1 356.403 3.008 20 30 FGEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000908748091 744314398 /nfs/dbraw/zinc/31/43/98/744314398.db2.gz AVXDZDLVIVOQEJ-INIZCTEOSA-N -1 1 367.877 3.005 20 30 FGEDMM C=C(C)c1cccc(NC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000934885448 761739990 /nfs/dbraw/zinc/73/99/90/761739990.db2.gz KPMFDCIGCASFMK-INIZCTEOSA-N -1 1 355.360 3.395 20 30 FGEDMM COCc1ccccc1CS(=O)(=O)[N-]c1cc(C)c(N(C)C)cc1C#N ZINC000570866603 505599229 /nfs/dbraw/zinc/59/92/29/505599229.db2.gz FFSQSUOHWWTUEJ-UHFFFAOYSA-N -1 1 373.478 3.021 20 30 FGEDMM CC(C)n1c(C2CCN(C(=O)c3cccc(C#N)c3)CC2)n[n-]c1=S ZINC000068447314 493822057 /nfs/dbraw/zinc/82/20/57/493822057.db2.gz UAHLIPGBFLVMJH-UHFFFAOYSA-N -1 1 355.467 3.413 20 30 FGEDMM CC(=O)CCc1ccc(OCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000068844112 493883890 /nfs/dbraw/zinc/88/38/90/493883890.db2.gz GTHSANZKQDMYTK-UHFFFAOYSA-N -1 1 356.304 3.012 20 30 FGEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1C1CC1 ZINC000036800595 494098638 /nfs/dbraw/zinc/09/86/38/494098638.db2.gz PMWNLXCBBVDNKZ-UHFFFAOYSA-N -1 1 355.419 3.446 20 30 FGEDMM C=CCOc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)c1 ZINC000065892696 494252721 /nfs/dbraw/zinc/25/27/21/494252721.db2.gz UQFVDTLUXMOIKF-UHFFFAOYSA-N -1 1 360.435 3.265 20 30 FGEDMM C=CCCO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000066315098 494310019 /nfs/dbraw/zinc/31/00/19/494310019.db2.gz WMOUTMRYDLMKNI-OAHLLOKOSA-N -1 1 374.462 3.407 20 30 FGEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2F)n1 ZINC000055649473 494381415 /nfs/dbraw/zinc/38/14/15/494381415.db2.gz UUZAFQHMPAEUQR-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000026547620 494831700 /nfs/dbraw/zinc/83/17/00/494831700.db2.gz FIGXSNATMUUBDR-UHFFFAOYSA-N -1 1 358.419 3.075 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000116861990 494863094 /nfs/dbraw/zinc/86/30/94/494863094.db2.gz BQJILSISGZXDJY-OAHLLOKOSA-N -1 1 358.463 3.490 20 30 FGEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccn1 ZINC000122112707 494925451 /nfs/dbraw/zinc/92/54/51/494925451.db2.gz LSXQLRJRROYECU-CQSZACIVSA-N -1 1 370.416 3.206 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCc3noc(C)n3)c2)n1 ZINC000136091660 495356152 /nfs/dbraw/zinc/35/61/52/495356152.db2.gz IYVNNNOBOUKZKF-CQSZACIVSA-N -1 1 354.391 3.212 20 30 FGEDMM Cc1cccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1C#N ZINC000137636520 495447433 /nfs/dbraw/zinc/44/74/33/495447433.db2.gz GUUZAHFMQKQCPM-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM CCOC(=O)C(=C([O-])CSc1cccc(C#N)c1)c1nc(C)cs1 ZINC000158677750 495565073 /nfs/dbraw/zinc/56/50/73/495565073.db2.gz KTGSHZIGHFBZID-HNNXBMFYSA-N -1 1 360.460 3.331 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cc3c(c(Br)c2)OCO3)n1 ZINC000147457016 495575588 /nfs/dbraw/zinc/57/55/88/495575588.db2.gz SGZHMNJJJMFHKE-VIFPVBQESA-N -1 1 365.208 3.433 20 30 FGEDMM COc1cc(C#N)ccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000179480908 495609233 /nfs/dbraw/zinc/60/92/33/495609233.db2.gz PARMCZHGEUKTAM-UHFFFAOYSA-N -1 1 357.435 3.237 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OC(C)C ZINC000185634156 495655797 /nfs/dbraw/zinc/65/57/97/495655797.db2.gz KJZDYDJSBCFMDW-UHFFFAOYSA-N -1 1 360.435 3.463 20 30 FGEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1F ZINC000180176317 495892503 /nfs/dbraw/zinc/89/25/03/495892503.db2.gz GAJPUGBNBSUMOB-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCCC#N)c2)cc1 ZINC000171594843 495942504 /nfs/dbraw/zinc/94/25/04/495942504.db2.gz PHANUGIQKJKNMJ-UHFFFAOYSA-N -1 1 371.462 3.220 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1 ZINC000177990699 496278385 /nfs/dbraw/zinc/27/83/85/496278385.db2.gz DOTVOKSDROKSNY-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000249135665 497173227 /nfs/dbraw/zinc/17/32/27/497173227.db2.gz WROXCSQTCOSGJN-XKQJLSEDSA-N -1 1 370.449 3.379 20 30 FGEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000189900201 497286812 /nfs/dbraw/zinc/28/68/12/497286812.db2.gz FOGHHAGZJVWGHM-IBGZPJMESA-N -1 1 352.390 3.162 20 30 FGEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccccc3CC#N)cc2F)c1 ZINC000193359034 497360005 /nfs/dbraw/zinc/36/00/05/497360005.db2.gz PBBPLBOETGUKRQ-UHFFFAOYSA-N -1 1 370.409 3.187 20 30 FGEDMM CSc1nc(C)c(CCC(=O)Nc2ccccc2O[C@H](C)C#N)c(=O)[n-]1 ZINC000272458612 497633508 /nfs/dbraw/zinc/63/35/08/497633508.db2.gz CHMCLIYMYPRKIC-LLVKDONJSA-N -1 1 372.450 3.075 20 30 FGEDMM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1cnc2ccccc2n1 ZINC000190989687 497674680 /nfs/dbraw/zinc/67/46/80/497674680.db2.gz DCDABRNYQLYFAJ-LBPRGKRZSA-N -1 1 354.316 3.159 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2cc(Br)ccc2F)cc1[O-] ZINC000191017859 497684135 /nfs/dbraw/zinc/68/41/35/497684135.db2.gz IHSWWNUZBIZKNE-UHFFFAOYSA-N -1 1 363.186 3.138 20 30 FGEDMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000575138186 505929049 /nfs/dbraw/zinc/92/90/49/505929049.db2.gz UBBFBQUTVAJFAY-UHFFFAOYSA-N -1 1 372.446 3.118 20 30 FGEDMM N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3[O-])CC2)c(F)c1 ZINC000285666020 498165258 /nfs/dbraw/zinc/16/52/58/498165258.db2.gz DORLZCCHYSYAAJ-UHFFFAOYSA-N -1 1 357.360 3.397 20 30 FGEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(C(F)(F)F)cs1 ZINC000287125161 498640161 /nfs/dbraw/zinc/64/01/61/498640161.db2.gz AIZNZVDOBGJPNH-MRVPVSSYSA-N -1 1 365.358 3.056 20 30 FGEDMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000322172255 498817169 /nfs/dbraw/zinc/81/71/69/498817169.db2.gz NNUTXGHKGLZJIM-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000322817829 498817886 /nfs/dbraw/zinc/81/78/86/498817886.db2.gz DNLYPYUIRONXDM-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000298833535 498891805 /nfs/dbraw/zinc/89/18/05/498891805.db2.gz BEHYVMNYNXDSNW-UHFFFAOYSA-N -1 1 374.462 3.359 20 30 FGEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000582069905 506126508 /nfs/dbraw/zinc/12/65/08/506126508.db2.gz FRPZWEVHPIGKER-UHFFFAOYSA-N -1 1 365.813 3.358 20 30 FGEDMM N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)n2)c1 ZINC000409452541 499598199 /nfs/dbraw/zinc/59/81/99/499598199.db2.gz NGCKVZJGDBCRDW-UHFFFAOYSA-N -1 1 370.372 3.092 20 30 FGEDMM COC(=O)COc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430580887 500257748 /nfs/dbraw/zinc/25/77/48/500257748.db2.gz GGFKUCOYXTWXHQ-AWEZNQCLSA-N -1 1 372.446 3.482 20 30 FGEDMM N#C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000427113906 500355256 /nfs/dbraw/zinc/35/52/56/500355256.db2.gz KAZUXAMLHUMLHZ-GOSISDBHSA-N -1 1 359.385 3.361 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2nc(-c3ccccc3F)cs2)cc1[O-] ZINC000428560117 500527194 /nfs/dbraw/zinc/52/71/94/500527194.db2.gz PSJSVPZRCWUWGK-UHFFFAOYSA-N -1 1 353.378 3.456 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000443419935 500722386 /nfs/dbraw/zinc/72/23/86/500722386.db2.gz SEWQYJYPFXGQMU-UHFFFAOYSA-N -1 1 354.431 3.448 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000443422247 500722813 /nfs/dbraw/zinc/72/28/13/500722813.db2.gz HMIUCCFNKKHHIM-UHFFFAOYSA-N -1 1 365.476 3.010 20 30 FGEDMM Cc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000448695800 500806261 /nfs/dbraw/zinc/80/62/61/500806261.db2.gz AWNRPWYSGNLQRG-IFXJQAMLSA-N -1 1 369.446 3.284 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2nncs2)cc1 ZINC000439251309 500875007 /nfs/dbraw/zinc/87/50/07/500875007.db2.gz WLSAEEDJABRAMI-UHFFFAOYSA-N -1 1 356.432 3.186 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)ccc1C#N ZINC000435747050 501022391 /nfs/dbraw/zinc/02/23/91/501022391.db2.gz DABDNZXYWDWIJW-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000440827802 501054039 /nfs/dbraw/zinc/05/40/39/501054039.db2.gz FRJJLPDWJQRAPI-UHFFFAOYSA-N -1 1 374.418 3.018 20 30 FGEDMM C=C(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000452724293 501551845 /nfs/dbraw/zinc/55/18/45/501551845.db2.gz QLJDQBVTAZNITL-SFHVURJKSA-N -1 1 352.434 3.232 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)C#N)c2)cc1 ZINC000611696967 506261120 /nfs/dbraw/zinc/26/11/20/506261120.db2.gz UHTZOYZDNNZKEP-UHFFFAOYSA-N -1 1 371.462 3.075 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]c(-c2ccccc2)c1C ZINC000464408716 501981045 /nfs/dbraw/zinc/98/10/45/501981045.db2.gz RRUDAXPBUBTKEJ-UHFFFAOYSA-N -1 1 368.418 3.066 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000465114116 502194207 /nfs/dbraw/zinc/19/42/07/502194207.db2.gz ZRELXDMIHJKTQP-GFCCVEGCSA-N -1 1 364.854 3.445 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000465464956 502272041 /nfs/dbraw/zinc/27/20/41/502272041.db2.gz ILHXVJDVWWUCKW-CYBMUJFWSA-N -1 1 362.426 3.239 20 30 FGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475785142 502291046 /nfs/dbraw/zinc/29/10/46/502291046.db2.gz CHPUXQRFFRTDCX-UHFFFAOYSA-N -1 1 355.419 3.236 20 30 FGEDMM N#CC(=C([O-])c1cc(F)ccc1-n1cccn1)c1cnc2ccccc2n1 ZINC000483987750 502541927 /nfs/dbraw/zinc/54/19/27/502541927.db2.gz PKDLUMUYQXZRCP-OAHLLOKOSA-N -1 1 357.348 3.445 20 30 FGEDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000467134485 502799099 /nfs/dbraw/zinc/79/90/99/502799099.db2.gz XANANUKZLVFNNY-LLVKDONJSA-N -1 1 366.389 3.275 20 30 FGEDMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC)cc1 ZINC000467150138 502802195 /nfs/dbraw/zinc/80/21/95/502802195.db2.gz ULWNISBMKVJJAX-MRXNPFEDSA-N -1 1 366.389 3.275 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)c1 ZINC000588833902 506350784 /nfs/dbraw/zinc/35/07/84/506350784.db2.gz WTMNWFBYTIYVTB-CQSZACIVSA-N -1 1 374.462 3.111 20 30 FGEDMM Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1C(=O)[O-] ZINC000506728804 503162102 /nfs/dbraw/zinc/16/21/02/503162102.db2.gz ZLXILILIYCFSDK-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1 ZINC000516268447 503485785 /nfs/dbraw/zinc/48/57/85/503485785.db2.gz DGCYHIBSIJLMDY-JTQLQIEISA-N -1 1 365.270 3.464 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c2cccnc12 ZINC000517063042 503652336 /nfs/dbraw/zinc/65/23/36/503652336.db2.gz AEPAVGLBGYQZJP-UHFFFAOYSA-N -1 1 357.366 3.055 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3ncccc3c2)n1 ZINC000536766132 503716902 /nfs/dbraw/zinc/71/69/02/503716902.db2.gz DBNIGKDQUBDPHF-CYBMUJFWSA-N -1 1 351.387 3.358 20 30 FGEDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000547872258 504255534 /nfs/dbraw/zinc/25/55/34/504255534.db2.gz YVJFYDLZNQSGNL-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000560254449 505030567 /nfs/dbraw/zinc/03/05/67/505030567.db2.gz PDYAWHMDYGTYDS-GFCCVEGCSA-N -1 1 354.781 3.415 20 30 FGEDMM N#Cc1cccnc1OC1CCC(N=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000561303124 505309613 /nfs/dbraw/zinc/30/96/13/505309613.db2.gz FVVXGCIJUUFOFJ-UHFFFAOYSA-N -1 1 369.372 3.048 20 30 FGEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3cc([O-])cc(C#N)c3)s2)cc1 ZINC000589166727 506467441 /nfs/dbraw/zinc/46/74/41/506467441.db2.gz XLXAAXPFRYLYFL-UHFFFAOYSA-N -1 1 360.398 3.435 20 30 FGEDMM Cc1c([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000589168365 506467574 /nfs/dbraw/zinc/46/75/74/506467574.db2.gz VSSORDCMWRSCOP-LBPRGKRZSA-N -1 1 364.380 3.388 20 30 FGEDMM C[C@@H]1CN(Cc2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)C[C@H](C)O1 ZINC000589183357 506472845 /nfs/dbraw/zinc/47/28/45/506472845.db2.gz CZBXFGCGLJJQNV-GASCZTMLSA-N -1 1 365.433 3.125 20 30 FGEDMM CC(=O)N(Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1)C(C)C ZINC000589182303 506473115 /nfs/dbraw/zinc/47/31/15/506473115.db2.gz ROZWYEZJTCVWFR-UHFFFAOYSA-N -1 1 351.406 3.273 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(C#N)cc1N(C)C ZINC000589594283 506595157 /nfs/dbraw/zinc/59/51/57/506595157.db2.gz CUJAIUWXRHIGTK-UHFFFAOYSA-N -1 1 365.405 3.153 20 30 FGEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000603975687 506678648 /nfs/dbraw/zinc/67/86/48/506678648.db2.gz GFUGROALPGLJTE-UHFFFAOYSA-N -1 1 352.419 3.162 20 30 FGEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000608823484 506720499 /nfs/dbraw/zinc/72/04/99/506720499.db2.gz SKCRLQSNCNZHFT-KRWDZBQOSA-N -1 1 371.462 3.155 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)ccc1Cl ZINC000590597601 506873958 /nfs/dbraw/zinc/87/39/58/506873958.db2.gz JNVZAEDNOZZPPI-UHFFFAOYSA-N -1 1 362.794 3.251 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1Cl ZINC000609629744 506953497 /nfs/dbraw/zinc/95/34/97/506953497.db2.gz VBILOUAXPJSZJC-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc(Cl)c2O1 ZINC000609875743 507034035 /nfs/dbraw/zinc/03/40/35/507034035.db2.gz HMFZUGLTKXRJAG-VIFPVBQESA-N -1 1 366.801 3.475 20 30 FGEDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n1 ZINC000610123975 507107368 /nfs/dbraw/zinc/10/73/68/507107368.db2.gz MKYYDVBZKKCLGB-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1[O-] ZINC000598016218 507219321 /nfs/dbraw/zinc/21/93/21/507219321.db2.gz IMWUWSVNRHOIAC-FQEVSTJZSA-N -1 1 370.836 3.439 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(F)c1 ZINC000610676094 507343576 /nfs/dbraw/zinc/34/35/76/507343576.db2.gz YDEKTBULZRONFW-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM COc1ccc([O-])c(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000601420600 507360494 /nfs/dbraw/zinc/36/04/94/507360494.db2.gz ZBVRZWMATDLODL-MRXNPFEDSA-N -1 1 360.435 3.114 20 30 FGEDMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)[C@@H](C)C#N ZINC000598347538 507388082 /nfs/dbraw/zinc/38/80/82/507388082.db2.gz WAPSOPVZIWYZAP-HNNXBMFYSA-N -1 1 371.462 3.170 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(F)c1 ZINC000610855823 507415801 /nfs/dbraw/zinc/41/58/01/507415801.db2.gz RLSVNQLJFHBBFR-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614298417 507445891 /nfs/dbraw/zinc/44/58/91/507445891.db2.gz MQIQMLCJCTXOKW-CQSZACIVSA-N -1 1 369.852 3.482 20 30 FGEDMM C=CCN(C(=O)c1ccc([O-])c(F)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000614877137 507682731 /nfs/dbraw/zinc/68/27/31/507682731.db2.gz RMJGJPJGJNWXFP-SFHVURJKSA-N -1 1 371.408 3.334 20 30 FGEDMM C#C[C@@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000819688153 599624991 /nfs/dbraw/zinc/62/49/91/599624991.db2.gz DUBBTIJPNYXFLL-LLVKDONJSA-N -1 1 368.780 3.491 20 30 FGEDMM N#Cc1ccc(OC2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)cc1 ZINC000739129354 600103897 /nfs/dbraw/zinc/10/38/97/600103897.db2.gz VYTMPLFCZJHZML-UHFFFAOYSA-N -1 1 354.381 3.439 20 30 FGEDMM CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736886578 600594653 /nfs/dbraw/zinc/59/46/53/600594653.db2.gz KBWHIJYZMWMKAN-KUHUBIRLSA-N -1 1 365.433 3.002 20 30 FGEDMM CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828700911 601300861 /nfs/dbraw/zinc/30/08/61/601300861.db2.gz UQMRDUVFTAFUFZ-IFXJQAMLSA-N -1 1 365.433 3.458 20 30 FGEDMM CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828757916 601300873 /nfs/dbraw/zinc/30/08/73/601300873.db2.gz FAWMPJYWNXBSPO-AUUYWEPGSA-N -1 1 365.433 3.002 20 30 FGEDMM N#CC(C(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000831065107 604214942 /nfs/dbraw/zinc/21/49/42/604214942.db2.gz OZXMUHLPCCAHPS-SJORKVTESA-N -1 1 359.385 3.462 20 30 FGEDMM COc1ccc(C2(NCc3cccc(C(=O)[O-])c3C#N)CCOCC2)cc1 ZINC000833732166 604617113 /nfs/dbraw/zinc/61/71/13/604617113.db2.gz HSUMDTCZNVEZMN-UHFFFAOYSA-N -1 1 366.417 3.061 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cc(F)cc3F)o1 ZINC000824352866 607783010 /nfs/dbraw/zinc/78/30/10/607783010.db2.gz QBGYHZVZTSCWMC-UHFFFAOYSA-N -1 1 359.340 3.019 20 30 FGEDMM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401157 608092825 /nfs/dbraw/zinc/09/28/25/608092825.db2.gz QZMSBHQTNDMBFX-ZZXKWVIFSA-N -1 1 362.361 3.468 20 30 FGEDMM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401157 608092826 /nfs/dbraw/zinc/09/28/26/608092826.db2.gz QZMSBHQTNDMBFX-ZZXKWVIFSA-N -1 1 362.361 3.468 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403293 608094251 /nfs/dbraw/zinc/09/42/51/608094251.db2.gz OFQHNHREJFFLSS-SNAWJCMRSA-N -1 1 366.431 3.343 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403293 608094252 /nfs/dbraw/zinc/09/42/52/608094252.db2.gz OFQHNHREJFFLSS-SNAWJCMRSA-N -1 1 366.431 3.343 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(-c2cccs2)n1 ZINC000826360036 608754784 /nfs/dbraw/zinc/75/47/84/608754784.db2.gz VVBNAYKZNRLZIJ-SNAWJCMRSA-N -1 1 368.447 3.286 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2cccs2)n1 ZINC000826360036 608754786 /nfs/dbraw/zinc/75/47/86/608754786.db2.gz VVBNAYKZNRLZIJ-SNAWJCMRSA-N -1 1 368.447 3.286 20 30 FGEDMM N#C[C@@H](C(=O)[C@@H]1CC=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707318 695845590 /nfs/dbraw/zinc/84/55/90/695845590.db2.gz ZINYBGFROUJWMI-YPMHNXCESA-N -1 1 353.447 3.396 20 30 FGEDMM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000076947150 700244181 /nfs/dbraw/zinc/24/41/81/700244181.db2.gz VTOFNJSFVNAMBK-YUMQZZPRSA-N -1 1 365.356 3.351 20 30 FGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2coc(Br)c2)c1 ZINC000127164640 700758186 /nfs/dbraw/zinc/75/81/86/700758186.db2.gz ZDBOQBWMRYSVCZ-LBPRGKRZSA-N -1 1 363.167 3.012 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(Br)c2)cc1 ZINC000131797393 700819831 /nfs/dbraw/zinc/81/98/31/700819831.db2.gz ITRAVVRMAZJHHK-LBPRGKRZSA-N -1 1 363.167 3.012 20 30 FGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc(COC)nc2C)cc1 ZINC000136615673 704862982 /nfs/dbraw/zinc/86/29/82/704862982.db2.gz NEBLUGXSKFSPFD-AWEZNQCLSA-N -1 1 357.435 3.122 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)o1 ZINC000255102635 713684014 /nfs/dbraw/zinc/68/40/14/713684014.db2.gz CVIVMARDPGBMMR-CTGSTSKSSA-N -1 1 356.708 3.170 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=Nn2cc(Br)cn2)c1 ZINC000781596479 724577187 /nfs/dbraw/zinc/57/71/87/724577187.db2.gz HBSQOZHMIPBICY-UHFFFAOYSA-N -1 1 359.021 3.304 20 30 FGEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc2cc(F)ccc2s1 ZINC000684008903 722317471 /nfs/dbraw/zinc/31/74/71/722317471.db2.gz NPJGDPUVMUCBEC-SECBINFHSA-N -1 1 350.325 3.387 20 30 FGEDMM C#CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000727040488 722440475 /nfs/dbraw/zinc/44/04/75/722440475.db2.gz BUVGUOQPFOAGOZ-UHFFFAOYSA-N -1 1 361.394 3.197 20 30 FGEDMM N#Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])cc1 ZINC000730362749 722467760 /nfs/dbraw/zinc/46/77/60/722467760.db2.gz UOWPIGGGSPCCEZ-UHFFFAOYSA-N -1 1 365.172 3.366 20 30 FGEDMM CCCn1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000734978894 722511618 /nfs/dbraw/zinc/51/16/18/722511618.db2.gz XFMHSJBQGHMPHD-UHFFFAOYSA-N -1 1 358.496 3.348 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cccc2ccccc12 ZINC000748255242 722682002 /nfs/dbraw/zinc/68/20/02/722682002.db2.gz SIXPLZSQWILQGP-UHFFFAOYSA-N -1 1 355.375 3.060 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000748255509 722682174 /nfs/dbraw/zinc/68/21/74/722682174.db2.gz XDGOIFDFRQGQTB-UHFFFAOYSA-N -1 1 371.777 3.090 20 30 FGEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(C)c3C#N)c2C)o1 ZINC000749777260 722740510 /nfs/dbraw/zinc/74/05/10/722740510.db2.gz LYUCYSUHHPJBSR-UHFFFAOYSA-N -1 1 356.407 3.267 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(OCC(F)F)cc1 ZINC000756905738 722971626 /nfs/dbraw/zinc/97/16/26/722971626.db2.gz HTBGQPPTZBIDEE-UHFFFAOYSA-N -1 1 350.321 3.483 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1[C@H](O)C(F)(F)F ZINC000758165683 722985321 /nfs/dbraw/zinc/98/53/21/722985321.db2.gz QFTGOJPLHJNJLN-HNNXBMFYSA-N -1 1 370.352 3.263 20 30 FGEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccccc1Br ZINC000790635657 723161361 /nfs/dbraw/zinc/16/13/61/723161361.db2.gz UXTSFWIPYCJADT-ZDUSSCGKSA-N -1 1 373.197 3.192 20 30 FGEDMM O=C([O-])c1ccc(NN=Cc2csc(COc3ccccc3)n2)nc1 ZINC000763370656 723338098 /nfs/dbraw/zinc/33/80/98/723338098.db2.gz TUTRSWGECJQSIX-UHFFFAOYSA-N -1 1 354.391 3.261 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ncc(I)s1 ZINC000794696000 723541343 /nfs/dbraw/zinc/54/13/43/723541343.db2.gz CCMVJUWMPLBOFQ-RUDMXATFSA-N -1 1 371.155 3.070 20 30 FGEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000794725586 723543149 /nfs/dbraw/zinc/54/31/49/723543149.db2.gz NRYDRIJNGXWTLB-ORCRQEGFSA-N -1 1 374.190 3.382 20 30 FGEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(SCc2ccccc2)cc1 ZINC000766473307 723575771 /nfs/dbraw/zinc/57/57/71/723575771.db2.gz BVFMEUZLPNDMQA-UHFFFAOYSA-N -1 1 354.460 3.102 20 30 FGEDMM COC(=O)c1ccc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000796348312 723633779 /nfs/dbraw/zinc/63/37/79/723633779.db2.gz XLSVUMCMJAIFPG-UHFFFAOYSA-N -1 1 351.280 3.029 20 30 FGEDMM CC[C@H]1C[C@H](C)CCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000769573317 723690105 /nfs/dbraw/zinc/69/01/05/723690105.db2.gz BRBTXBNUXTULDZ-OCCSQVGLSA-N -1 1 353.444 3.216 20 30 FGEDMM COc1c([O-])c(C=NNc2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000773057148 723775474 /nfs/dbraw/zinc/77/54/74/723775474.db2.gz ALSLKCBSAHXMCL-UHFFFAOYSA-N -1 1 356.260 3.169 20 30 FGEDMM O=C([N-]CCCN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000774567279 723907179 /nfs/dbraw/zinc/90/71/79/723907179.db2.gz RZYBBUOYGTXHKG-YUMQZZPRSA-N -1 1 374.247 3.118 20 30 FGEDMM O=c1[nH]ccc2cc(NN=Cc3cccc(Br)c3[O-])ccc12 ZINC000789071304 725107090 /nfs/dbraw/zinc/10/70/90/725107090.db2.gz SMQTVCCNYLJBBD-UHFFFAOYSA-N -1 1 358.195 3.442 20 30 FGEDMM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000810529825 725312893 /nfs/dbraw/zinc/31/28/93/725312893.db2.gz OTBICQCTYAVVRK-CYBMUJFWSA-N -1 1 357.435 3.294 20 30 FGEDMM O=S(=O)(c1ccc(NN=Cc2cccc([O-])c2Cl)cc1)C(F)F ZINC000814828272 727004163 /nfs/dbraw/zinc/00/41/63/727004163.db2.gz VRMDQEIZOZXPNT-UHFFFAOYSA-N -1 1 360.769 3.488 20 30 FGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1nc2c(s1)CCC2 ZINC000842287673 730480766 /nfs/dbraw/zinc/48/07/66/730480766.db2.gz AJDOTCLNTCHLMY-VIFPVBQESA-N -1 1 363.801 3.385 20 30 FGEDMM CCCCCCCCCS(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cn1 ZINC000844828974 730776234 /nfs/dbraw/zinc/77/62/34/730776234.db2.gz JLYRKTBWDAJILH-UHFFFAOYSA-N -1 1 355.504 3.276 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)cc1 ZINC000870146341 733816543 /nfs/dbraw/zinc/81/65/43/733816543.db2.gz XCGCDTHWKTVHQH-ZDUSSCGKSA-N -1 1 357.435 3.410 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCCCCCCO)cc1 ZINC000872348188 735617429 /nfs/dbraw/zinc/61/74/29/735617429.db2.gz BCHXEBWAKWJHBO-UHFFFAOYSA-N -1 1 361.467 3.438 20 30 FGEDMM O=C([N-]C1CCN(CC(F)(F)F)CC1)C(F)(F)c1cc(F)cc(F)c1 ZINC000874239434 735852482 /nfs/dbraw/zinc/85/24/82/735852482.db2.gz IYRIVMKIRMHBEP-UHFFFAOYSA-N -1 1 372.284 3.200 20 30 FGEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cs1 ZINC000901264321 743244817 /nfs/dbraw/zinc/24/48/17/743244817.db2.gz AHOARALZJGFJSL-QMMMGPOBSA-N -1 1 361.448 3.240 20 30 FGEDMM C[C@H]1[C@](C)(C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@@]1(F)Cl ZINC000905449415 744022812 /nfs/dbraw/zinc/02/28/12/744022812.db2.gz WAHSURCRNIMTCZ-UFTIBIJLSA-N -1 1 354.817 3.245 20 30 FGEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C)s2)C1=O ZINC000906485503 744136420 /nfs/dbraw/zinc/13/64/20/744136420.db2.gz ICNWKUHTXGNEMR-QGZVFWFLSA-N -1 1 351.472 3.372 20 30 FGEDMM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124234 744342751 /nfs/dbraw/zinc/34/27/51/744342751.db2.gz RKRIPVCKJZPZGG-HZPDHXFCSA-N -1 1 367.877 3.051 20 30 FGEDMM [O-]c1ccc(C=NNC(=S)NCc2ccccc2)cc1Br ZINC000915924532 758004284 /nfs/dbraw/zinc/00/42/84/758004284.db2.gz PQKXYPZZXLZLRZ-UHFFFAOYSA-N -1 1 364.268 3.153 20 30 FGEDMM COc1ccc(CC2N=NC(=S)N2N=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000921258664 758676995 /nfs/dbraw/zinc/67/69/95/758676995.db2.gz LTXXHUBTUHYLPE-UHFFFAOYSA-N -1 1 374.853 3.407 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)cc1[O-] ZINC000928250802 760125689 /nfs/dbraw/zinc/12/56/89/760125689.db2.gz BODRLYZYZYDDAD-CQSZACIVSA-N -1 1 353.447 3.229 20 30 FGEDMM N#C[C@]1([N-]C(=O)C(F)(F)c2cccc(Br)c2)CCSC1 ZINC000931298696 760820849 /nfs/dbraw/zinc/82/08/49/760820849.db2.gz AADKPAGCCKUXCR-GFCCVEGCSA-N -1 1 361.211 3.056 20 30 FGEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)nc2ccccc21 ZINC000097261635 209176338 /nfs/dbraw/zinc/17/63/38/209176338.db2.gz GGFFEZYIJNSOKY-ZDUSSCGKSA-N -1 1 359.364 3.388 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(CC(=O)OC)c1 ZINC000573616029 505579180 /nfs/dbraw/zinc/57/91/80/505579180.db2.gz PHUOKZVICBEXBV-UHFFFAOYSA-N -1 1 359.447 3.322 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000029329480 493833859 /nfs/dbraw/zinc/83/38/59/493833859.db2.gz HMTZFQFBBDEXGL-UHFFFAOYSA-N -1 1 359.451 3.412 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000055642280 494379404 /nfs/dbraw/zinc/37/94/04/494379404.db2.gz XUVBFSSJJDMZTH-UHFFFAOYSA-N -1 1 369.446 3.031 20 30 FGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000055640140 494379854 /nfs/dbraw/zinc/37/98/54/494379854.db2.gz XRSSGCUGJCMOMS-UHFFFAOYSA-N -1 1 352.362 3.448 20 30 FGEDMM Cc1cccn2c1ncc(C([O-])=C(C#N)c1nc3ccccc3s1)c2=O ZINC000091104514 494534606 /nfs/dbraw/zinc/53/46/06/494534606.db2.gz GHZVJPRLSLTCIZ-GFCCVEGCSA-N -1 1 360.398 3.103 20 30 FGEDMM C=C[C@@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000091161023 494544007 /nfs/dbraw/zinc/54/40/07/494544007.db2.gz WDHGYEFWQURURX-ZDUSSCGKSA-N -1 1 362.426 3.496 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nc(-c2ccncc2)cs1 ZINC000115909108 494662515 /nfs/dbraw/zinc/66/25/15/494662515.db2.gz OUBFVWMEIWIOHO-MRXNPFEDSA-N -1 1 372.413 3.276 20 30 FGEDMM CC(C)N(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000116488097 494799236 /nfs/dbraw/zinc/79/92/36/494799236.db2.gz WRUDMZMPWYDOOD-UHFFFAOYSA-N -1 1 371.462 3.252 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000121975021 494901388 /nfs/dbraw/zinc/90/13/88/494901388.db2.gz GFHDIDQNTACOIL-JTQLQIEISA-N -1 1 374.372 3.126 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000102862332 495168110 /nfs/dbraw/zinc/16/81/10/495168110.db2.gz GTIWBYORSOZYLQ-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(C)cc3)nc(=O)c2c1C ZINC000155448900 495959887 /nfs/dbraw/zinc/95/98/87/495959887.db2.gz UMPTUOGJNDUGBY-ZDUSSCGKSA-N -1 1 352.419 3.156 20 30 FGEDMM N#Cc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000155623155 496015661 /nfs/dbraw/zinc/01/56/61/496015661.db2.gz UHJIVGJEIYRXKA-UHFFFAOYSA-N -1 1 357.413 3.379 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c(Cl)c1 ZINC000186610279 496071934 /nfs/dbraw/zinc/07/19/34/496071934.db2.gz BAEXUPFGVKCGTI-UHFFFAOYSA-N -1 1 350.831 3.393 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000180715492 496116303 /nfs/dbraw/zinc/11/63/03/496116303.db2.gz WWJDVTFUDJZKCW-UHFFFAOYSA-N -1 1 355.463 3.392 20 30 FGEDMM O=C1CCc2cc(/N=C/c3ccc(O)c([O-])c3O)ccc2N1CC1CC1 ZINC000186845972 496178753 /nfs/dbraw/zinc/17/87/53/496178753.db2.gz CPEKTFUGABGDNT-UFFVCSGVSA-N -1 1 352.390 3.243 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1[O-] ZINC000187819926 496583323 /nfs/dbraw/zinc/58/33/23/496583323.db2.gz XEOAQLAVZGYVND-UHFFFAOYSA-N -1 1 351.406 3.300 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181974229 496618890 /nfs/dbraw/zinc/61/88/90/496618890.db2.gz FBBMYXXNRRBWLE-LLVKDONJSA-N -1 1 367.434 3.178 20 30 FGEDMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000175968705 496621854 /nfs/dbraw/zinc/62/18/54/496621854.db2.gz FIVSWALLROVDOL-UHFFFAOYSA-N -1 1 360.435 3.083 20 30 FGEDMM CC(C)(C#N)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000277530007 496804244 /nfs/dbraw/zinc/80/42/44/496804244.db2.gz PTPMYSYTIUFQFJ-UHFFFAOYSA-N -1 1 362.021 3.405 20 30 FGEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)n1 ZINC000191606261 496829066 /nfs/dbraw/zinc/82/90/66/496829066.db2.gz WMDHVJIIUQDXJE-LLVKDONJSA-N -1 1 359.411 3.315 20 30 FGEDMM COc1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)C(F)(F)F)cc1 ZINC000189197833 497040148 /nfs/dbraw/zinc/04/01/48/497040148.db2.gz XBJGNCIJFHDQIU-HNNXBMFYSA-N -1 1 350.296 3.306 20 30 FGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271340015 497324223 /nfs/dbraw/zinc/32/42/23/497324223.db2.gz FUYOULWOGSFNHL-LBPRGKRZSA-N -1 1 373.331 3.171 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000193360381 497360078 /nfs/dbraw/zinc/36/00/78/497360078.db2.gz BSONDSUNZOMEEJ-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(OCC#N)c3)ccc2O1 ZINC000267816280 497623742 /nfs/dbraw/zinc/62/37/42/497623742.db2.gz PENDFWKWQOTFLM-UHFFFAOYSA-N -1 1 358.419 3.103 20 30 FGEDMM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190916760 497644531 /nfs/dbraw/zinc/64/45/31/497644531.db2.gz FYCGZVMHVHTCHE-INIZCTEOSA-N -1 1 358.401 3.260 20 30 FGEDMM COc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000330218862 498066506 /nfs/dbraw/zinc/06/65/06/498066506.db2.gz JSQMRNTYNBDUAH-JMSVASOKSA-N -1 1 368.817 3.025 20 30 FGEDMM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc21 ZINC000297871301 498594305 /nfs/dbraw/zinc/59/43/05/498594305.db2.gz OZSWXRURGONDQS-DTWKUNHWSA-N -1 1 359.411 3.200 20 30 FGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000329430752 499120996 /nfs/dbraw/zinc/12/09/96/499120996.db2.gz KHPGVRKXCOYCOH-UHFFFAOYSA-N -1 1 368.437 3.154 20 30 FGEDMM N#CC1(c2ccccn2)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000367070510 499143537 /nfs/dbraw/zinc/14/35/37/499143537.db2.gz DOSNKHRXCVJCNU-UHFFFAOYSA-N -1 1 372.812 3.406 20 30 FGEDMM N#Cc1ccc(OC2CCN(C(=O)c3c([O-])cnc4ccccc43)CC2)cc1 ZINC000370474231 499223800 /nfs/dbraw/zinc/22/38/00/499223800.db2.gz XXHZOZNCFOKTQG-UHFFFAOYSA-N -1 1 373.412 3.496 20 30 FGEDMM N#C[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC[C@]12CCCCO2 ZINC000370627989 499237278 /nfs/dbraw/zinc/23/72/78/499237278.db2.gz UBTBBRIUWXFERF-NVXWUHKLSA-N -1 1 368.355 3.478 20 30 FGEDMM N#Cc1cccc([C@H]2CN(C(=O)c3c([O-])cnc4ccccc43)CCO2)c1 ZINC000371258644 499302991 /nfs/dbraw/zinc/30/29/91/499302991.db2.gz PCSRWXZURKOYNG-LJQANCHMSA-N -1 1 359.385 3.026 20 30 FGEDMM N#CC1CCC(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000373001370 499446919 /nfs/dbraw/zinc/44/69/19/499446919.db2.gz JCONOADHTXOPDD-UHFFFAOYSA-N -1 1 369.465 3.326 20 30 FGEDMM Cc1nn(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)c1C(F)F ZINC000414386355 499784937 /nfs/dbraw/zinc/78/49/37/499784937.db2.gz TUBMPNHDLHBWQX-UHFFFAOYSA-N -1 1 374.800 3.186 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000416937322 500161708 /nfs/dbraw/zinc/16/17/08/500161708.db2.gz DBMFDPKQZOFEOV-HNNXBMFYSA-N -1 1 373.482 3.024 20 30 FGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]c(C(=O)N3CCCC3)c2)s1 ZINC000430587852 500259011 /nfs/dbraw/zinc/25/90/11/500259011.db2.gz BAENESAYFNKWQX-ZDUSSCGKSA-N -1 1 370.478 3.495 20 30 FGEDMM C=C[C@@](C)(O)CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000431729115 500416072 /nfs/dbraw/zinc/41/60/72/500416072.db2.gz ZOVCANNATWJAMX-LJQANCHMSA-N -1 1 374.462 3.061 20 30 FGEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000436995123 500588775 /nfs/dbraw/zinc/58/87/75/500588775.db2.gz HDXOSMGQNFVBGM-SFHVURJKSA-N -1 1 373.815 3.207 20 30 FGEDMM COc1cc(C(=O)Nc2ncccc2OCCCC#N)cc(Cl)c1[O-] ZINC000442971639 500656668 /nfs/dbraw/zinc/65/66/68/500656668.db2.gz WIUXLKXTUJFOQU-UHFFFAOYSA-N -1 1 361.785 3.384 20 30 FGEDMM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)cc1 ZINC000443055113 500669818 /nfs/dbraw/zinc/66/98/18/500669818.db2.gz DTJMIJOPOTVDRF-GFCCVEGCSA-N -1 1 362.389 3.367 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCOc2cccc(Cl)c2Cl)c1 ZINC000589170000 506468859 /nfs/dbraw/zinc/46/88/59/506468859.db2.gz BFXYXKDUWGVCRL-UHFFFAOYSA-N -1 1 351.189 3.379 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1O ZINC000443409393 500721046 /nfs/dbraw/zinc/72/10/46/500721046.db2.gz KRODZSOXUXZYHN-UHFFFAOYSA-N -1 1 356.325 3.392 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000443419144 500722222 /nfs/dbraw/zinc/72/22/22/500722222.db2.gz UWOKMXXGGZZPES-UHFFFAOYSA-N -1 1 361.419 3.098 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1Cl ZINC000435761950 501024489 /nfs/dbraw/zinc/02/44/89/501024489.db2.gz QYIQZMGEPYDEKC-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM CC(C)(CC#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000457990991 501351827 /nfs/dbraw/zinc/35/18/27/501351827.db2.gz QVEOECKLCRALNU-UHFFFAOYSA-N -1 1 371.462 3.157 20 30 FGEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000451911851 501399139 /nfs/dbraw/zinc/39/91/39/501399139.db2.gz QUIWZULAIKFCBX-ZJUUUORDSA-N -1 1 354.230 3.144 20 30 FGEDMM C=CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000468391163 502043699 /nfs/dbraw/zinc/04/36/99/502043699.db2.gz DLWWJJFQNMKPFP-UHFFFAOYSA-N -1 1 358.463 3.492 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000468851170 502206457 /nfs/dbraw/zinc/20/64/57/502206457.db2.gz GINCJBIYNZFAGU-UHFFFAOYSA-N -1 1 352.419 3.339 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000475791107 502293826 /nfs/dbraw/zinc/29/38/26/502293826.db2.gz LRZLRMDDMYPRQL-UHFFFAOYSA-N -1 1 351.225 3.316 20 30 FGEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2n1 ZINC000475801189 502295753 /nfs/dbraw/zinc/29/57/53/502295753.db2.gz XOUYOKBKKBXWCJ-UHFFFAOYSA-N -1 1 354.435 3.484 20 30 FGEDMM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1csc(=NC2CC2)[n-]1 ZINC000476658129 502553000 /nfs/dbraw/zinc/55/30/00/502553000.db2.gz VEXMAMGMQMJFNH-UHFFFAOYSA-N -1 1 360.442 3.186 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)[nH][n-]2)s1 ZINC000473401807 502585651 /nfs/dbraw/zinc/58/56/51/502585651.db2.gz PFDDWGPUJDPMSO-OAHLLOKOSA-N -1 1 361.430 3.061 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000473771874 502703292 /nfs/dbraw/zinc/70/32/92/502703292.db2.gz RSJYWZWMQIYCOD-INIZCTEOSA-N -1 1 373.391 3.139 20 30 FGEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509430224 502900007 /nfs/dbraw/zinc/90/00/07/502900007.db2.gz KGFIGHXTSNTAFA-QMMMGPOBSA-N -1 1 352.239 3.023 20 30 FGEDMM CN(CC(C)(C)C#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000497352450 502937430 /nfs/dbraw/zinc/93/74/30/502937430.db2.gz MGJCAHTWOSLTNJ-UHFFFAOYSA-N -1 1 371.462 3.109 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)C#N)ccc2C)c1 ZINC000510351648 503097803 /nfs/dbraw/zinc/09/78/03/503097803.db2.gz HQVGHXKJGLIMGW-CQSZACIVSA-N -1 1 357.435 3.202 20 30 FGEDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1F ZINC000490469816 503179145 /nfs/dbraw/zinc/17/91/45/503179145.db2.gz KUSWCDUAOUURKV-UHFFFAOYSA-N -1 1 354.353 3.189 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000515627755 503376843 /nfs/dbraw/zinc/37/68/43/503376843.db2.gz RYJFDARTSDPTAN-UHFFFAOYSA-N -1 1 370.474 3.282 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1Cl ZINC000515634960 503377400 /nfs/dbraw/zinc/37/74/00/503377400.db2.gz TXYFJHAKVUXFFF-UHFFFAOYSA-N -1 1 372.837 3.257 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(F)F)cc2)n1 ZINC000517918485 503866975 /nfs/dbraw/zinc/86/69/75/503866975.db2.gz LCFDVIWFHNCWIM-NSHDSACASA-N -1 1 366.345 3.411 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([C@@H]3CCOC3)c2)n1 ZINC000534924271 504283307 /nfs/dbraw/zinc/28/33/07/504283307.db2.gz BTPJMBBRJBYTHM-CABCVRRESA-N -1 1 370.430 3.314 20 30 FGEDMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(F)(F)F ZINC000538669191 504321090 /nfs/dbraw/zinc/32/10/90/504321090.db2.gz VUZVJPCIKIOFGF-LBPRGKRZSA-N -1 1 352.353 3.343 20 30 FGEDMM COc1cc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc(Cl)c1[O-] ZINC000548884136 504604125 /nfs/dbraw/zinc/60/41/25/504604125.db2.gz SYTOVQMXQCXOAX-UHFFFAOYSA-N -1 1 371.824 3.147 20 30 FGEDMM C=CCOc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000557698745 505206706 /nfs/dbraw/zinc/20/67/06/505206706.db2.gz LWKRJJVOHMFBRO-UHFFFAOYSA-N -1 1 362.433 3.460 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000566876773 505297257 /nfs/dbraw/zinc/29/72/57/505297257.db2.gz OZOQHXDODDGCKW-UHFFFAOYSA-N -1 1 366.389 3.341 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000561512942 505365681 /nfs/dbraw/zinc/36/56/81/505365681.db2.gz SWXYCQQSPCLYJF-GFCCVEGCSA-N -1 1 357.218 3.424 20 30 FGEDMM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589170246 506469638 /nfs/dbraw/zinc/46/96/38/506469638.db2.gz JDALIBGELFLXOD-HNNXBMFYSA-N -1 1 361.445 3.320 20 30 FGEDMM Cc1cnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)[n-]c1=O ZINC000583035356 506554024 /nfs/dbraw/zinc/55/40/24/506554024.db2.gz OXIFPGYNHAIFCA-UHFFFAOYSA-N -1 1 362.842 3.183 20 30 FGEDMM CC(C)(C)CCOc1cnccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589527102 506579114 /nfs/dbraw/zinc/57/91/14/506579114.db2.gz FGNQSUUGEOLMKR-UHFFFAOYSA-N -1 1 353.422 3.404 20 30 FGEDMM Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)c1ccc([O-])cc1 ZINC000583452832 506786837 /nfs/dbraw/zinc/78/68/37/506786837.db2.gz CNLJVIFVFQBEPH-UHFFFAOYSA-N -1 1 352.777 3.424 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000590775148 506947232 /nfs/dbraw/zinc/94/72/32/506947232.db2.gz VDNKTDUUTZIADG-OAHLLOKOSA-N -1 1 351.362 3.192 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000590914643 507026536 /nfs/dbraw/zinc/02/65/36/507026536.db2.gz HXMHJVDXADPLHJ-OAHLLOKOSA-N -1 1 368.355 3.085 20 30 FGEDMM N#Cc1cccc([N+](=O)[O-])c1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000590953961 507057042 /nfs/dbraw/zinc/05/70/42/507057042.db2.gz UNTSKHUDNYKXQB-UHFFFAOYSA-N -1 1 365.389 3.267 20 30 FGEDMM COC[C@H](C)N(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCc2ccccc21 ZINC000600793626 507124407 /nfs/dbraw/zinc/12/44/07/507124407.db2.gz RCTFKYLBXAVAJK-LIRRHRJNSA-N -1 1 350.418 3.428 20 30 FGEDMM COc1cc(C#N)ccc1OCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000601088155 507256806 /nfs/dbraw/zinc/25/68/06/507256806.db2.gz LMXJQTPGOPABLK-UHFFFAOYSA-N -1 1 357.435 3.419 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)c1 ZINC000598117873 507266910 /nfs/dbraw/zinc/26/69/10/507266910.db2.gz XWNMINBZCAVCTI-ZDUSSCGKSA-N -1 1 362.311 3.050 20 30 FGEDMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000601420598 507360068 /nfs/dbraw/zinc/36/00/68/507360068.db2.gz ZBVRZWMATDLODL-INIZCTEOSA-N -1 1 360.435 3.114 20 30 FGEDMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614296887 507445011 /nfs/dbraw/zinc/44/50/11/507445011.db2.gz WTPGEBCFSDIBEH-LLVKDONJSA-N -1 1 359.223 3.387 20 30 FGEDMM CC(C)(C)OC(=O)[C@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000598503077 507460374 /nfs/dbraw/zinc/46/03/74/507460374.db2.gz PNYCMGYPIRMUHV-OAQYLSRUSA-N -1 1 366.417 3.251 20 30 FGEDMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCC[C@@H]1C#N ZINC000601818563 507471356 /nfs/dbraw/zinc/47/13/56/507471356.db2.gz OHMSYIYTQPKZGK-MFKMUULPSA-N -1 1 374.238 3.467 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000614367416 507481781 /nfs/dbraw/zinc/48/17/81/507481781.db2.gz OHXQBMPMWVRMKE-UHFFFAOYSA-N -1 1 373.368 3.407 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1C#N ZINC000611014823 507483448 /nfs/dbraw/zinc/48/34/48/507483448.db2.gz JRRPAHIPFXXUFS-HNNXBMFYSA-N -1 1 354.353 3.449 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c1 ZINC000614786862 507652275 /nfs/dbraw/zinc/65/22/75/507652275.db2.gz CAAOYGVXGLAJSN-UHFFFAOYSA-N -1 1 374.462 3.029 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](NCc2ccccc2)c2ccco2)c1 ZINC000586875448 507701289 /nfs/dbraw/zinc/70/12/89/507701289.db2.gz XMPQBJAZSQVGNO-IBGZPJMESA-N -1 1 361.401 3.118 20 30 FGEDMM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(SCC#N)n2)o1 ZINC000737289139 598862157 /nfs/dbraw/zinc/86/21/57/598862157.db2.gz SWLZGPANJQYLRN-UHFFFAOYSA-N -1 1 366.328 3.465 20 30 FGEDMM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nn[n-]n3)c(SCC#N)n2)o1 ZINC000737289139 598862158 /nfs/dbraw/zinc/86/21/58/598862158.db2.gz SWLZGPANJQYLRN-UHFFFAOYSA-N -1 1 366.328 3.465 20 30 FGEDMM Cc1ccccc1CC(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000820299718 599337515 /nfs/dbraw/zinc/33/75/15/599337515.db2.gz JSYFYZRIPVGNMB-UHFFFAOYSA-N -1 1 353.430 3.392 20 30 FGEDMM CCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C12CCCC2 ZINC000821350659 599337687 /nfs/dbraw/zinc/33/76/87/599337687.db2.gz ASHRSLPIIWNYNQ-LBPRGKRZSA-N -1 1 359.434 3.115 20 30 FGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000739076542 599839544 /nfs/dbraw/zinc/83/95/44/599839544.db2.gz YGENOJQXUQLOGS-UHFFFAOYSA-N -1 1 368.461 3.253 20 30 FGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000739104442 600563107 /nfs/dbraw/zinc/56/31/07/600563107.db2.gz GJDDMIZBCIIYBO-IBGZPJMESA-N -1 1 369.852 3.155 20 30 FGEDMM N#Cc1ccc([C@@H](NCc2cc(Br)ccc2F)C(=O)[O-])cc1 ZINC000739107606 600594129 /nfs/dbraw/zinc/59/41/29/600594129.db2.gz SAQQJWPZIXQFIV-OAHLLOKOSA-N -1 1 363.186 3.375 20 30 FGEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCC(CCC(=O)[O-])CC2)cc1C ZINC000832936084 601840415 /nfs/dbraw/zinc/84/04/15/601840415.db2.gz WPMHJKVAPPQQTA-UHFFFAOYSA-N -1 1 371.481 3.127 20 30 FGEDMM C=CCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825711162 601863101 /nfs/dbraw/zinc/86/31/01/601863101.db2.gz RRMZQIPXUQDQCS-SNVBAGLBSA-N -1 1 360.222 3.395 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824033771 607550243 /nfs/dbraw/zinc/55/02/43/607550243.db2.gz AONDEXWHDHOPEK-GFCCVEGCSA-N -1 1 351.439 3.126 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824033771 607550245 /nfs/dbraw/zinc/55/02/45/607550245.db2.gz AONDEXWHDHOPEK-GFCCVEGCSA-N -1 1 351.439 3.126 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000827356668 605349434 /nfs/dbraw/zinc/34/94/34/605349434.db2.gz SCXCEEROUYTWGR-LLVKDONJSA-N -1 1 373.390 3.208 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822801907 606420777 /nfs/dbraw/zinc/42/07/77/606420777.db2.gz QSRUYTVAPTZWMN-DZGCQCFKSA-N -1 1 365.828 3.191 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822801907 606420778 /nfs/dbraw/zinc/42/07/78/606420778.db2.gz QSRUYTVAPTZWMN-DZGCQCFKSA-N -1 1 365.828 3.191 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CCC3)s2)o1 ZINC000820108497 607148110 /nfs/dbraw/zinc/14/81/10/607148110.db2.gz KRUGRTKPSVMTKZ-UHFFFAOYSA-N -1 1 372.458 3.223 20 30 FGEDMM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nn[n-]n2)s1)CCC3 ZINC000823504146 607171524 /nfs/dbraw/zinc/17/15/24/607171524.db2.gz MTEAYCONEVVZET-MDWZMJQESA-N -1 1 364.430 3.466 20 30 FGEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000826177990 608092623 /nfs/dbraw/zinc/09/26/23/608092623.db2.gz FGNIIGDXLDQWLR-PLNGDYQASA-N -1 1 356.407 3.150 20 30 FGEDMM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000826177990 608092624 /nfs/dbraw/zinc/09/26/24/608092624.db2.gz FGNIIGDXLDQWLR-PLNGDYQASA-N -1 1 356.407 3.150 20 30 FGEDMM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403096 608093223 /nfs/dbraw/zinc/09/32/23/608093223.db2.gz JSTSPFUNCSSPKR-RMKNXTFCSA-N -1 1 362.418 3.069 20 30 FGEDMM COc1ccc2oc(CN=Nc3oc(C(C)C)nc3-c3nn[n-]n3)cc2c1 ZINC000826213984 608110530 /nfs/dbraw/zinc/11/05/30/608110530.db2.gz VPCBWBZFBYCQGQ-UHFFFAOYSA-N -1 1 367.369 3.179 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Br)o2)cc1 ZINC000105758641 700504581 /nfs/dbraw/zinc/50/45/81/700504581.db2.gz INFMBPJHKFNJPF-LLVKDONJSA-N -1 1 363.167 3.012 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccc(F)cc3)n2)c(=O)o1 ZINC000120055140 700646820 /nfs/dbraw/zinc/64/68/20/700646820.db2.gz NZNWRXNMCDQILH-MOEXGYKKSA-N -1 1 357.362 3.177 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)CC#N)c2)c1 ZINC000120294601 700652341 /nfs/dbraw/zinc/65/23/41/700652341.db2.gz AFDNRMMBXTUIEO-CQSZACIVSA-N -1 1 358.419 3.255 20 30 FGEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)cs2)cc1 ZINC000124780811 700724913 /nfs/dbraw/zinc/72/49/13/700724913.db2.gz ARGWOVQLBMAOJX-OZSKJFCKSA-N -1 1 353.399 3.347 20 30 FGEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1Cl ZINC000156325808 705111532 /nfs/dbraw/zinc/11/15/32/705111532.db2.gz ZRBLFBIRRPIXFG-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])cc(Br)c1O ZINC000156651803 705125852 /nfs/dbraw/zinc/12/58/52/705125852.db2.gz JLWRWXHREYSRLR-DUXPYHPUSA-N -1 1 365.179 3.471 20 30 FGEDMM C[C@@]1(c2ccccc2)CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1 ZINC000780210289 724454444 /nfs/dbraw/zinc/45/44/44/724454444.db2.gz RRKGCHKMHIYYLM-LJQANCHMSA-N -1 1 353.447 3.223 20 30 FGEDMM O=S(=O)([N-]Cc1c(F)c(F)cc(F)c1F)c1cc(F)c(F)cc1F ZINC000674418638 721690873 /nfs/dbraw/zinc/69/08/73/721690873.db2.gz NEHFHSHVOPLVPS-UHFFFAOYSA-N -1 1 373.249 3.139 20 30 FGEDMM CCC(CSc1ccc(Cl)cc1)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000734299908 722505950 /nfs/dbraw/zinc/50/59/50/722505950.db2.gz ZRGSUEIZZFLNNA-UHFFFAOYSA-N -1 1 362.846 3.056 20 30 FGEDMM C=C(Cl)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000736238225 722522310 /nfs/dbraw/zinc/52/23/10/722522310.db2.gz GLXXEIMQNZVTTC-UHFFFAOYSA-N -1 1 364.854 3.278 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000743258944 722565277 /nfs/dbraw/zinc/56/52/77/722565277.db2.gz OYFHNGNTABCMIN-UHFFFAOYSA-N -1 1 357.431 3.338 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000746370021 722599831 /nfs/dbraw/zinc/59/98/31/722599831.db2.gz FQWNHQQMTMGSTN-ZDUSSCGKSA-N -1 1 361.423 3.194 20 30 FGEDMM C#CC[C@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccccc1 ZINC000756973424 722972730 /nfs/dbraw/zinc/97/27/30/722972730.db2.gz BHPOYEGWUPHZGP-INIZCTEOSA-N -1 1 351.374 3.016 20 30 FGEDMM COc1ccc(NC(=S)NN=C(C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757449816 722976425 /nfs/dbraw/zinc/97/64/25/722976425.db2.gz ACGJTXODTJHNRV-UHFFFAOYSA-N -1 1 351.378 3.390 20 30 FGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(O)c(Br)c2)c1 ZINC000757475092 722976565 /nfs/dbraw/zinc/97/65/65/722976565.db2.gz WXFRPEXTUZVURU-RJRFIUFISA-N -1 1 363.163 3.455 20 30 FGEDMM CC(C)[C@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000794502488 723528407 /nfs/dbraw/zinc/52/84/07/723528407.db2.gz PTSQCLRHKWIIFU-AWEZNQCLSA-N -1 1 353.444 3.216 20 30 FGEDMM N#Cc1ccccc1/C=C\C(=O)NCc1cccc(Br)c1[O-] ZINC000765731001 723536078 /nfs/dbraw/zinc/53/60/78/723536078.db2.gz FIOBIBHKRQWUOB-HJWRWDBZSA-N -1 1 357.207 3.356 20 30 FGEDMM C#CCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765737746 723536904 /nfs/dbraw/zinc/53/69/04/723536904.db2.gz YPJHTDAWTGXAAB-UHFFFAOYSA-N -1 1 360.207 3.097 20 30 FGEDMM O=c1cn[n-]c(=S)n1N=Cc1c(Cl)cccc1Oc1ccccc1 ZINC000766482318 723576271 /nfs/dbraw/zinc/57/62/71/723576271.db2.gz IZIFRJXKOJFGBI-UHFFFAOYSA-N -1 1 358.810 3.255 20 30 FGEDMM Cc1cccc2c1[C@@H](C)CC2=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000766711161 723588497 /nfs/dbraw/zinc/58/84/97/723588497.db2.gz JJGDQGGPIBPTDG-LBPRGKRZSA-N -1 1 359.407 3.093 20 30 FGEDMM COC(=O)C1(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000766854893 723595992 /nfs/dbraw/zinc/59/59/92/723595992.db2.gz ZHNPOYMFELUDMX-VIFPVBQESA-N -1 1 362.357 3.218 20 30 FGEDMM C#CCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000770250581 723709460 /nfs/dbraw/zinc/70/94/60/723709460.db2.gz BUXNTKOGAMGURD-UHFFFAOYSA-N -1 1 371.083 3.448 20 30 FGEDMM COc1ccc(COC(=O)c2ccc(Br)c([O-])c2)cc1C#N ZINC000778826546 724365559 /nfs/dbraw/zinc/36/55/59/724365559.db2.gz BMKGDCHCEYWMNH-UHFFFAOYSA-N -1 1 362.179 3.392 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000785399021 724910851 /nfs/dbraw/zinc/91/08/51/724910851.db2.gz QPCNZVDJZWCHIQ-ZDUSSCGKSA-N -1 1 368.245 3.226 20 30 FGEDMM COc1ccc2nc(CN=Nc3ccc(C(=O)[O-])cc3OC)sc2c1 ZINC000788721766 725083546 /nfs/dbraw/zinc/08/35/46/725083546.db2.gz IJOICRKHPLEJDE-UHFFFAOYSA-N -1 1 357.391 3.458 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CC[C@@H](Cc3ccccc3)C2)c2ccccc21 ZINC000814799153 727001854 /nfs/dbraw/zinc/00/18/54/727001854.db2.gz VVVLRSNBHRBITQ-HNNXBMFYSA-N -1 1 353.447 3.124 20 30 FGEDMM CCC[C@H](OC)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835041519 729852375 /nfs/dbraw/zinc/85/23/75/729852375.db2.gz XYSVEERQBRHJGD-NEPJUHHUSA-N -1 1 359.451 3.267 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000837124482 729995729 /nfs/dbraw/zinc/99/57/29/729995729.db2.gz GVZNHVINWTYGPI-SECBINFHSA-N -1 1 360.323 3.160 20 30 FGEDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000844662975 730748484 /nfs/dbraw/zinc/74/84/84/730748484.db2.gz IKVYWKHJFMHMBK-UHFFFAOYSA-N -1 1 360.435 3.141 20 30 FGEDMM C#CC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000849344072 731250717 /nfs/dbraw/zinc/25/07/17/731250717.db2.gz AXMXAEGJXGNXDO-NHYWBVRUSA-N -1 1 354.219 3.449 20 30 FGEDMM CC[C@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO1 ZINC000853300483 731692509 /nfs/dbraw/zinc/69/25/09/731692509.db2.gz PSENNQDRJZEWOC-KRWDZBQOSA-N -1 1 359.451 3.454 20 30 FGEDMM N#Cc1cccc(C2(NC(=O)c3c([O-])cccc3Cl)CCOCC2)c1 ZINC000855874917 731964543 /nfs/dbraw/zinc/96/45/43/731964543.db2.gz ZRWRLQPLKFKQEY-UHFFFAOYSA-N -1 1 356.809 3.353 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CCCC1 ZINC000882318660 737443509 /nfs/dbraw/zinc/44/35/09/737443509.db2.gz OISFOSMQQCBYDI-UHFFFAOYSA-N -1 1 367.780 3.116 20 30 FGEDMM Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(C2CCCC2)n1 ZINC000901907643 743673756 /nfs/dbraw/zinc/67/37/56/743673756.db2.gz QKIQXIRNGIKOIE-UHFFFAOYSA-N -1 1 364.858 3.404 20 30 FGEDMM C=CCC[C@@H](CO)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902942386 743791265 /nfs/dbraw/zinc/79/12/65/743791265.db2.gz FGSAFQGCSNVTIK-VIFPVBQESA-N -1 1 372.721 3.289 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Br)ccc2OC(F)F)n1 ZINC000916241515 758056295 /nfs/dbraw/zinc/05/62/95/758056295.db2.gz HLRVMTGVERWXDL-UHFFFAOYSA-N -1 1 373.157 3.301 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1 ZINC000066445515 221244803 /nfs/dbraw/zinc/24/48/03/221244803.db2.gz PQPDXWGBPSDDKZ-KRWDZBQOSA-N -1 1 368.418 3.087 20 30 FGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1Cl ZINC000577091110 505663045 /nfs/dbraw/zinc/66/30/45/505663045.db2.gz DRFHRLOZMWPSMH-UHFFFAOYSA-N -1 1 354.790 3.469 20 30 FGEDMM CCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000068241619 493782918 /nfs/dbraw/zinc/78/29/18/493782918.db2.gz TXZCAPAVSCGNNJ-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000076937475 493992343 /nfs/dbraw/zinc/99/23/43/493992343.db2.gz IUVDWYDDCJWSNC-ZIAGYGMSSA-N -1 1 354.497 3.392 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000070430527 494043503 /nfs/dbraw/zinc/04/35/03/494043503.db2.gz SMTLTPMXNSOFPT-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000037368141 494104269 /nfs/dbraw/zinc/10/42/69/494104269.db2.gz XGSGYRCZAIUKIO-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1Cl ZINC000077707607 494149792 /nfs/dbraw/zinc/14/97/92/494149792.db2.gz FOGWKHQOSJKELA-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1C ZINC000077958118 494205667 /nfs/dbraw/zinc/20/56/67/494205667.db2.gz KKCZWSQCAOAEMM-UHFFFAOYSA-N -1 1 360.435 3.487 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000055664083 494384765 /nfs/dbraw/zinc/38/47/65/494384765.db2.gz NKPKZQRDNUJJKT-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM COCCCOc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000080310918 494673482 /nfs/dbraw/zinc/67/34/82/494673482.db2.gz QMEZAJKXWJLWTL-UHFFFAOYSA-N -1 1 360.435 3.083 20 30 FGEDMM C=CCOc1ccc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000067898005 494688055 /nfs/dbraw/zinc/68/80/55/494688055.db2.gz FVYMNPHZBUYMEK-CQSZACIVSA-N -1 1 356.403 3.375 20 30 FGEDMM Cc1cc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)no1 ZINC000097657484 495039992 /nfs/dbraw/zinc/03/99/92/495039992.db2.gz QQZXSCHVAANOHL-UHFFFAOYSA-N -1 1 357.420 3.251 20 30 FGEDMM Cc1ncsc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000118911999 495053818 /nfs/dbraw/zinc/05/38/18/495053818.db2.gz ZSNNSNSYCNPOIT-JTQLQIEISA-N -1 1 370.459 3.118 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OCC(F)F ZINC000102632285 495147686 /nfs/dbraw/zinc/14/76/86/495147686.db2.gz LIUCFPYNENEDKD-UHFFFAOYSA-N -1 1 352.362 3.311 20 30 FGEDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000124087340 495232025 /nfs/dbraw/zinc/23/20/25/495232025.db2.gz KEOHLGWMLZMPDR-VIFPVBQESA-N -1 1 370.352 3.024 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1Cl ZINC000135955711 495346055 /nfs/dbraw/zinc/34/60/55/495346055.db2.gz ZLIFTMBAENLWRC-UHFFFAOYSA-N -1 1 360.782 3.062 20 30 FGEDMM CCC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nn[n-]n1 ZINC000176792279 495786384 /nfs/dbraw/zinc/78/63/84/495786384.db2.gz BIUZLQHCESTOJL-KRWDZBQOSA-N -1 1 362.393 3.135 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000183005896 495794643 /nfs/dbraw/zinc/79/46/43/495794643.db2.gz KQWZNFHRROOXLK-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160720932 496027932 /nfs/dbraw/zinc/02/79/32/496027932.db2.gz YNVVCGLESIIIIX-SSDOTTSWSA-N -1 1 356.644 3.485 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1C(F)(F)F ZINC000177620716 496134426 /nfs/dbraw/zinc/13/44/26/496134426.db2.gz VXZVYUPKSYECFC-UHFFFAOYSA-N -1 1 368.336 3.313 20 30 FGEDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177990386 496277949 /nfs/dbraw/zinc/27/79/49/496277949.db2.gz HMMBKHYEKRGXIE-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM C=CC[C@H](C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000187837502 496589907 /nfs/dbraw/zinc/58/99/07/496589907.db2.gz WLRZMBGFXFPHJG-INIZCTEOSA-N -1 1 374.462 3.365 20 30 FGEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000173355142 496657285 /nfs/dbraw/zinc/65/72/85/496657285.db2.gz KSNUFNWQSIETER-OAHLLOKOSA-N -1 1 368.842 3.033 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cccc(COCC(F)(F)F)c2)cc1[O-] ZINC000188995956 496973054 /nfs/dbraw/zinc/97/30/54/496973054.db2.gz IHUYTRZRZCIXQR-UHFFFAOYSA-N -1 1 364.323 3.273 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl ZINC000192704768 497190130 /nfs/dbraw/zinc/19/01/30/497190130.db2.gz UAJPVCNFBCPCOO-UHFFFAOYSA-N -1 1 364.810 3.174 20 30 FGEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000193261019 497334861 /nfs/dbraw/zinc/33/48/61/497334861.db2.gz ARUINGLZIGHNJF-CQSZACIVSA-N -1 1 364.384 3.024 20 30 FGEDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000190396513 497463667 /nfs/dbraw/zinc/46/36/67/497463667.db2.gz GOHOTZGIHOGYLW-UHFFFAOYSA-N -1 1 352.419 3.162 20 30 FGEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190887112 497633714 /nfs/dbraw/zinc/63/37/14/497633714.db2.gz DXYHASSHJPIUAY-ZETCQYMHSA-N -1 1 369.643 3.212 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)cc1[O-] ZINC000191132208 497719476 /nfs/dbraw/zinc/71/94/76/497719476.db2.gz OMZDVXUNKYJICB-UHFFFAOYSA-N -1 1 350.418 3.128 20 30 FGEDMM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000331156112 498263828 /nfs/dbraw/zinc/26/38/28/498263828.db2.gz YOIGUBIAKCKWMH-LDYMZIIASA-N -1 1 352.765 3.329 20 30 FGEDMM CCc1cc(C#N)ccc1OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000282134842 498395501 /nfs/dbraw/zinc/39/55/01/498395501.db2.gz OKQQPMVFSCXIEH-UHFFFAOYSA-N -1 1 357.435 3.185 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000581678545 506042906 /nfs/dbraw/zinc/04/29/06/506042906.db2.gz RCBCTPQVYBCBPN-ZWNOBZJWSA-N -1 1 356.403 3.133 20 30 FGEDMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000322187389 498816866 /nfs/dbraw/zinc/81/68/66/498816866.db2.gz PZTPJHIHZRVASX-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000295750393 499094087 /nfs/dbraw/zinc/09/40/87/499094087.db2.gz OGGCKANYVSIKMO-WPRPVWTQSA-N -1 1 351.230 3.493 20 30 FGEDMM N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000373712484 499484595 /nfs/dbraw/zinc/48/45/95/499484595.db2.gz HFAZGMZKFYUULG-INIZCTEOSA-N -1 1 369.808 3.047 20 30 FGEDMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)ccc1C#N ZINC000410399402 499660115 /nfs/dbraw/zinc/66/01/15/499660115.db2.gz VGPHAXYDJPERNA-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM C[C@H]1CCc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(C#N)c2[C@H]1C ZINC000410985087 499688635 /nfs/dbraw/zinc/68/86/35/499688635.db2.gz MTJOXSGUXRQRFM-IUCAKERBSA-N -1 1 359.411 3.200 20 30 FGEDMM C=CCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000447935483 500692522 /nfs/dbraw/zinc/69/25/22/500692522.db2.gz HKBZGQBMEQICJF-UHFFFAOYSA-N -1 1 356.644 3.486 20 30 FGEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000443251832 500701022 /nfs/dbraw/zinc/70/10/22/500701022.db2.gz PVBQWBZRCPPJCD-AWEZNQCLSA-N -1 1 368.842 3.033 20 30 FGEDMM C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000443418912 500722487 /nfs/dbraw/zinc/72/24/87/500722487.db2.gz OWMODPCHWKKKOP-UHFFFAOYSA-N -1 1 361.419 3.313 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000588144598 506217398 /nfs/dbraw/zinc/21/73/98/506217398.db2.gz OXDIYUVHBHKKQZ-LLVKDONJSA-N -1 1 354.300 3.043 20 30 FGEDMM COc1cc(-c2noc(C3(C#N)CCC3)n2)cc(Br)c1[O-] ZINC000445397175 500980565 /nfs/dbraw/zinc/98/05/65/500980565.db2.gz DTPPNCXBGIYHKJ-UHFFFAOYSA-N -1 1 350.172 3.159 20 30 FGEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435594853 500998283 /nfs/dbraw/zinc/99/82/83/500998283.db2.gz BXYALIZQEXATCG-TVQRCGJNSA-N -1 1 368.257 3.392 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)ccc1C#N ZINC000435731154 501019782 /nfs/dbraw/zinc/01/97/82/501019782.db2.gz IPPPPYQAGPYWFI-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM CCc1n[nH]c([N-]S(=O)(=O)c2cccc(C#N)c2)c1-c1cccs1 ZINC000446954883 501185826 /nfs/dbraw/zinc/18/58/26/501185826.db2.gz ULMWRIKHMXVOSY-UHFFFAOYSA-N -1 1 358.448 3.373 20 30 FGEDMM N#C[C@]1([N-]S(=O)(=O)c2sccc2Cl)CCc2ccccc2C1 ZINC000450994022 501237488 /nfs/dbraw/zinc/23/74/88/501237488.db2.gz BJSCFKNQBFDGDW-HNNXBMFYSA-N -1 1 352.868 3.131 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000465105038 502192169 /nfs/dbraw/zinc/19/21/69/502192169.db2.gz WDWKEHDFOJXJSJ-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000468899629 502223499 /nfs/dbraw/zinc/22/34/99/502223499.db2.gz JYUHFMKHCIDONC-UHFFFAOYSA-N -1 1 352.847 3.324 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Nc2cnn(C)c2)c1 ZINC000475745182 502278023 /nfs/dbraw/zinc/27/80/23/502278023.db2.gz GHFPKZLXOFGKKG-UHFFFAOYSA-N -1 1 367.434 3.145 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000475792063 502293908 /nfs/dbraw/zinc/29/39/08/502293908.db2.gz MQMARIZOIUNDBA-UHFFFAOYSA-N -1 1 351.225 3.316 20 30 FGEDMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475800665 502295535 /nfs/dbraw/zinc/29/55/35/502295535.db2.gz XUOVRLZTRFMRKP-UHFFFAOYSA-N -1 1 372.446 3.049 20 30 FGEDMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475803340 502295914 /nfs/dbraw/zinc/29/59/14/502295914.db2.gz JHXQLEXDNASXSZ-UHFFFAOYSA-N -1 1 357.435 3.148 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000484985819 502793066 /nfs/dbraw/zinc/79/30/66/502793066.db2.gz JGRKUSDNMAXTFZ-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM N#Cc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000593018512 506339444 /nfs/dbraw/zinc/33/94/44/506339444.db2.gz GSPSOJZIBIGPOY-UHFFFAOYSA-N -1 1 365.389 3.267 20 30 FGEDMM N#Cc1cnc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c(Cl)c1 ZINC000497464428 502964861 /nfs/dbraw/zinc/96/48/61/502964861.db2.gz OEKSFOVUPIENOA-ARJAWSKDSA-N -1 1 357.782 3.474 20 30 FGEDMM CO[C@@H](C)c1nc(=NC2CCC(Oc3ccccc3C#N)CC2)s[n-]1 ZINC000509750610 502979704 /nfs/dbraw/zinc/97/97/04/502979704.db2.gz JTQIBFFAXQBXLX-GRTSSRMGSA-N -1 1 358.467 3.341 20 30 FGEDMM Cc1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)nn1-c1cccc(C#N)c1 ZINC000505804830 502989571 /nfs/dbraw/zinc/98/95/71/502989571.db2.gz HBEJUNBFPRAPJO-UHFFFAOYSA-N -1 1 374.429 3.178 20 30 FGEDMM Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc(C(=O)[O-])c1 ZINC000507570748 503325273 /nfs/dbraw/zinc/32/52/73/503325273.db2.gz ZLBFQAXGPOJBOZ-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(C#N)cc2Cl)no1 ZINC000507888019 503388135 /nfs/dbraw/zinc/38/81/35/503388135.db2.gz LFQXBSKGFYWSPW-UHFFFAOYSA-N -1 1 353.831 3.439 20 30 FGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512790113 503632072 /nfs/dbraw/zinc/63/20/72/503632072.db2.gz GTIFDKKFDPXLPG-UHFFFAOYSA-N -1 1 374.418 3.073 20 30 FGEDMM CC#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000543604890 503826928 /nfs/dbraw/zinc/82/69/28/503826928.db2.gz FSTQVBQHIWDVEW-UHFFFAOYSA-N -1 1 374.437 3.078 20 30 FGEDMM CC#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000543605006 503826960 /nfs/dbraw/zinc/82/69/60/503826960.db2.gz IJHMBOBYKMQQAL-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2COCC3)cc1 ZINC000527592187 503845965 /nfs/dbraw/zinc/84/59/65/503845965.db2.gz JJIZABDMQKIQKK-DOMZBBRYSA-N -1 1 367.405 3.222 20 30 FGEDMM Cc1cccc(N(CCC#N)C(=O)CSc2nc(C)c(C)c(=O)[n-]2)c1C ZINC000537416516 503908706 /nfs/dbraw/zinc/90/87/06/503908706.db2.gz LCRHHRQSZVVQCX-UHFFFAOYSA-N -1 1 370.478 3.455 20 30 FGEDMM C[C@@H](C#N)CN(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546930823 503929864 /nfs/dbraw/zinc/92/98/64/503929864.db2.gz VZIASDDBKCNNPK-AWEZNQCLSA-N -1 1 372.450 3.111 20 30 FGEDMM C=C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000519083458 504136329 /nfs/dbraw/zinc/13/63/29/504136329.db2.gz OYAFIHXHJQTBJV-UHFFFAOYSA-N -1 1 374.437 3.419 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccccc2Cn2ccnc2)c1 ZINC000545382372 504467553 /nfs/dbraw/zinc/46/75/53/504467553.db2.gz UUZZOIRNAMGBRQ-UHFFFAOYSA-N -1 1 369.446 3.297 20 30 FGEDMM Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1Cl ZINC000542741937 504592687 /nfs/dbraw/zinc/59/26/87/504592687.db2.gz PRXVIJGVPHYLKK-UHFFFAOYSA-N -1 1 356.781 3.277 20 30 FGEDMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2s1 ZINC000551115335 505161010 /nfs/dbraw/zinc/16/10/10/505161010.db2.gz KWGNMYGNRSXYIB-UHFFFAOYSA-N -1 1 359.432 3.286 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000589159979 506462300 /nfs/dbraw/zinc/46/23/00/506462300.db2.gz CCBFVMPCNUVXPK-UHFFFAOYSA-N -1 1 358.781 3.009 20 30 FGEDMM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589170247 506469265 /nfs/dbraw/zinc/46/92/65/506469265.db2.gz JDALIBGELFLXOD-OAHLLOKOSA-N -1 1 361.445 3.320 20 30 FGEDMM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589177494 506470995 /nfs/dbraw/zinc/47/09/95/506470995.db2.gz ALBROUBERCBKAO-ZDUSSCGKSA-N -1 1 371.387 3.061 20 30 FGEDMM CCC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000608815601 506718057 /nfs/dbraw/zinc/71/80/57/506718057.db2.gz YECOJMMEXSCUCU-QGZVFWFLSA-N -1 1 371.462 3.218 20 30 FGEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000608824215 506720428 /nfs/dbraw/zinc/72/04/28/506720428.db2.gz VYNQWVFRTOXWQT-KRWDZBQOSA-N -1 1 371.462 3.155 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(F)c1 ZINC000610056355 507083774 /nfs/dbraw/zinc/08/37/74/507083774.db2.gz PPVGCBJNXGDHGI-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000597999641 507213429 /nfs/dbraw/zinc/21/34/29/507213429.db2.gz VKECVWKOFLJRCG-LLVKDONJSA-N -1 1 371.218 3.425 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000594870062 507301845 /nfs/dbraw/zinc/30/18/45/507301845.db2.gz ZEADWOONUFOFKX-UHFFFAOYSA-N -1 1 357.819 3.001 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)c1ccc(C#N)cc1 ZINC000601304830 507328175 /nfs/dbraw/zinc/32/81/75/507328175.db2.gz RXVXDTDOSHENJH-VIFPVBQESA-N -1 1 351.815 3.117 20 30 FGEDMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)[C@H](C)C#N ZINC000598346527 507386870 /nfs/dbraw/zinc/38/68/70/507386870.db2.gz KHLYNZWXFIQIEG-OAHLLOKOSA-N -1 1 371.462 3.170 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000614293005 507444452 /nfs/dbraw/zinc/44/44/52/507444452.db2.gz NIBBIZMDCDJWSK-UHFFFAOYSA-N -1 1 373.815 3.014 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000614298089 507445774 /nfs/dbraw/zinc/44/57/74/507445774.db2.gz BXVMMUDGTJIOIV-QGZVFWFLSA-N -1 1 350.374 3.012 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000592351088 507613659 /nfs/dbraw/zinc/61/36/59/507613659.db2.gz SPUYXMSSVKNKPZ-DOMZBBRYSA-N -1 1 354.497 3.105 20 30 FGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c1C#N ZINC000738254472 600365317 /nfs/dbraw/zinc/36/53/17/600365317.db2.gz WPHAMEJKFDBEDY-CYBMUJFWSA-N -1 1 374.485 3.073 20 30 FGEDMM COc1cc(F)c([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737889539 600598493 /nfs/dbraw/zinc/59/84/93/600598493.db2.gz RNTXEKXFUXUHRP-ZMZPIMSZSA-N -1 1 358.369 3.191 20 30 FGEDMM CC(C)Cc1ncc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000820107741 607464430 /nfs/dbraw/zinc/46/44/30/607464430.db2.gz BAMOGHUVCWMNJV-UHFFFAOYSA-N -1 1 374.474 3.253 20 30 FGEDMM N#Cc1cccc([C@H](NCc2ccccc2OCC(F)(F)F)C(=O)[O-])c1 ZINC000833076812 601302617 /nfs/dbraw/zinc/30/26/17/601302617.db2.gz ZLVZZCRSFQMFEA-INIZCTEOSA-N -1 1 364.323 3.415 20 30 FGEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000828414058 601317112 /nfs/dbraw/zinc/31/71/12/601317112.db2.gz WRNMCXZUGCXDBG-CKEIUWERSA-N -1 1 373.453 3.014 20 30 FGEDMM CN(C[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1)C(=O)[O-] ZINC000739637741 602991534 /nfs/dbraw/zinc/99/15/34/602991534.db2.gz QZBSDWJLQCSWOO-ZDUSSCGKSA-N -1 1 351.834 3.064 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000827356670 605348843 /nfs/dbraw/zinc/34/88/43/605348843.db2.gz SCXCEEROUYTWGR-NSHDSACASA-N -1 1 373.390 3.208 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCOc3ccccc32)o1 ZINC000819966173 606461083 /nfs/dbraw/zinc/46/10/83/606461083.db2.gz YEYHJGAKPOGSNT-LLVKDONJSA-N -1 1 367.413 3.116 20 30 FGEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820092514 606506353 /nfs/dbraw/zinc/50/63/53/606506353.db2.gz NBNQFUAPWSKCKR-UHFFFAOYSA-N -1 1 366.450 3.098 20 30 FGEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820092514 606506355 /nfs/dbraw/zinc/50/63/55/606506355.db2.gz NBNQFUAPWSKCKR-UHFFFAOYSA-N -1 1 366.450 3.098 20 30 FGEDMM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)cc21 ZINC000820577133 607023082 /nfs/dbraw/zinc/02/30/82/607023082.db2.gz LCJRZQMZTGAPPX-QPJJXVBHSA-N -1 1 365.418 3.054 20 30 FGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000825605636 608092052 /nfs/dbraw/zinc/09/20/52/608092052.db2.gz ZJMSRSBKRDAJSJ-XQRVVYSFSA-N -1 1 370.434 3.369 20 30 FGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000825605636 608092053 /nfs/dbraw/zinc/09/20/53/608092053.db2.gz ZJMSRSBKRDAJSJ-XQRVVYSFSA-N -1 1 370.434 3.369 20 30 FGEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825639213 608092149 /nfs/dbraw/zinc/09/21/49/608092149.db2.gz VEDNAAFUXAZICW-GQCTYLIASA-N -1 1 356.407 3.232 20 30 FGEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000825639213 608092150 /nfs/dbraw/zinc/09/21/50/608092150.db2.gz VEDNAAFUXAZICW-GQCTYLIASA-N -1 1 356.407 3.232 20 30 FGEDMM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000825615878 608092740 /nfs/dbraw/zinc/09/27/40/608092740.db2.gz OFIPVLHUTLCEEZ-XQRVVYSFSA-N -1 1 356.407 3.232 20 30 FGEDMM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000825615878 608092741 /nfs/dbraw/zinc/09/27/41/608092741.db2.gz OFIPVLHUTLCEEZ-XQRVVYSFSA-N -1 1 356.407 3.232 20 30 FGEDMM CCCCCCCC[C@H](C)CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000825271754 608568083 /nfs/dbraw/zinc/56/80/83/608568083.db2.gz NMQAQOGIWJHCJR-LBPRGKRZSA-N -1 1 358.450 3.177 20 30 FGEDMM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000079700460 700303730 /nfs/dbraw/zinc/30/37/30/700303730.db2.gz CXHFSBBIXRTPEZ-QMMMGPOBSA-N -1 1 363.340 3.201 20 30 FGEDMM C=C(C)COc1cccc(NC(=O)NCCn2c(CC)n[n-]c2=S)c1 ZINC000084321102 700355253 /nfs/dbraw/zinc/35/52/53/700355253.db2.gz WKDGMPJBFJAULJ-UHFFFAOYSA-N -1 1 361.471 3.280 20 30 FGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc(COC)nc2C)cc1 ZINC000136615712 704863206 /nfs/dbraw/zinc/86/32/06/704863206.db2.gz NEBLUGXSKFSPFD-CQSZACIVSA-N -1 1 357.435 3.122 20 30 FGEDMM CC[C@H](SC)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156277667 705109001 /nfs/dbraw/zinc/10/90/01/705109001.db2.gz PHTVUVUYJBFMMF-MNOVXSKESA-N -1 1 361.492 3.181 20 30 FGEDMM Cc1ncc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000194678433 713530587 /nfs/dbraw/zinc/53/05/87/713530587.db2.gz STSQTJFSNWBPID-JTQLQIEISA-N -1 1 370.459 3.118 20 30 FGEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000615942898 714558327 /nfs/dbraw/zinc/55/83/27/714558327.db2.gz ORZUYFVNCLLIRL-UHFFFAOYSA-N -1 1 369.643 3.070 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000619461659 714838299 /nfs/dbraw/zinc/83/82/99/714838299.db2.gz LOSVGLMCXMWXEK-UHFFFAOYSA-N -1 1 356.325 3.452 20 30 FGEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2C)o1 ZINC000619463544 714839158 /nfs/dbraw/zinc/83/91/58/714839158.db2.gz RJUQIKBAJXRADD-UHFFFAOYSA-N -1 1 356.407 3.153 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@@H]2Cc2ccccc2)c2ccccc21 ZINC000735612464 722517735 /nfs/dbraw/zinc/51/77/35/722517735.db2.gz LPXHRNBRSAMYIM-OAHLLOKOSA-N -1 1 353.447 3.124 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@H]2Cc2ccccc2)c2ccccc21 ZINC000735612463 722517739 /nfs/dbraw/zinc/51/77/39/722517739.db2.gz LPXHRNBRSAMYIM-HNNXBMFYSA-N -1 1 353.447 3.124 20 30 FGEDMM CC(=NNCC(F)F)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000740616896 722536711 /nfs/dbraw/zinc/53/67/11/722536711.db2.gz WPSKMYUNSNYZGN-UHFFFAOYSA-N -1 1 367.421 3.375 20 30 FGEDMM CC(=O)c1ccc([O-])c(CCOC(=O)CSc2ccc(C#N)cc2)c1 ZINC000744954689 722581845 /nfs/dbraw/zinc/58/18/45/722581845.db2.gz UAQCZVSUTNDYJM-UHFFFAOYSA-N -1 1 355.415 3.344 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C(CC1CC1)c1ccccc1 ZINC000748254653 722681787 /nfs/dbraw/zinc/68/17/87/722681787.db2.gz DVWBAGQHZGOLQS-UHFFFAOYSA-N -1 1 359.407 3.078 20 30 FGEDMM C#CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000756974630 722972736 /nfs/dbraw/zinc/97/27/36/722972736.db2.gz GICSPWXOSAVVDB-CQSZACIVSA-N -1 1 364.810 3.291 20 30 FGEDMM CC(N=Nc1ccc(Br)cn1)c1cc(C(=O)[O-])ccc1O ZINC000757460762 722976476 /nfs/dbraw/zinc/97/64/76/722976476.db2.gz GAAQEQSXIVGYIM-UHFFFAOYSA-N -1 1 350.172 3.084 20 30 FGEDMM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000757465452 722976486 /nfs/dbraw/zinc/97/64/86/722976486.db2.gz PTMAMEDBEFOSKE-UHFFFAOYSA-N -1 1 364.421 3.447 20 30 FGEDMM COc1cc(Br)c(/C=C\C(=O)c2cc(O)ccc2[O-])cc1O ZINC000757468887 722976559 /nfs/dbraw/zinc/97/65/59/722976559.db2.gz YZQKWWUBSONFKH-RQOWECAXSA-N -1 1 365.179 3.471 20 30 FGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Br)cc1 ZINC000790260341 723118751 /nfs/dbraw/zinc/11/87/51/723118751.db2.gz MDZAVKFVSLIQCX-CYBMUJFWSA-N -1 1 373.197 3.192 20 30 FGEDMM C=CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000761060964 723118895 /nfs/dbraw/zinc/11/88/95/723118895.db2.gz TXWYAWNSKKSKCE-UHFFFAOYSA-N -1 1 361.419 3.229 20 30 FGEDMM C#C[C@@H](CCC)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000791742098 723276710 /nfs/dbraw/zinc/27/67/10/723276710.db2.gz BHFCANLGKBJHKR-JTQLQIEISA-N -1 1 358.316 3.035 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000794578219 723532932 /nfs/dbraw/zinc/53/29/32/723532932.db2.gz HQWJMWHITGXSHW-UHFFFAOYSA-N -1 1 351.771 3.115 20 30 FGEDMM N#Cc1cc(F)c(C(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000765728692 723535390 /nfs/dbraw/zinc/53/53/90/723535390.db2.gz KIUCIHXPVTYOLI-UHFFFAOYSA-N -1 1 367.149 3.235 20 30 FGEDMM CC(C)[C@@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC000766434656 723573992 /nfs/dbraw/zinc/57/39/92/723573992.db2.gz PBCGDASTXDPQII-INIZCTEOSA-N -1 1 353.447 3.273 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OCC2CC2)c(=O)o1 ZINC000797404622 723812604 /nfs/dbraw/zinc/81/26/04/723812604.db2.gz HIJYRGDDMHUKAW-JXTAAOLFSA-N -1 1 360.793 3.357 20 30 FGEDMM C#CCOc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000775295201 723978868 /nfs/dbraw/zinc/97/88/68/723978868.db2.gz GGHCERCKIBKAJE-UHFFFAOYSA-N -1 1 355.415 3.264 20 30 FGEDMM N#Cc1cccc(C2([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)c1 ZINC000778027615 724286134 /nfs/dbraw/zinc/28/61/34/724286134.db2.gz UHGFVTYPMFRDTE-UHFFFAOYSA-N -1 1 368.245 3.228 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)c1 ZINC000809753273 725265317 /nfs/dbraw/zinc/26/53/17/725265317.db2.gz ORPHKSMGYWUMNZ-UHFFFAOYSA-N -1 1 354.431 3.030 20 30 FGEDMM COc1cc(CN=Nc2ccc(F)c(F)c2F)ccc1OCC(=O)[O-] ZINC000814945769 727013401 /nfs/dbraw/zinc/01/34/01/727013401.db2.gz PDUPCPVGEIODLN-UHFFFAOYSA-N -1 1 354.284 3.022 20 30 FGEDMM C=C[C@H](CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000830817254 729595391 /nfs/dbraw/zinc/59/53/91/729595391.db2.gz ZKCSCVZBJHUGMK-DYVFJYSZSA-N -1 1 354.372 3.016 20 30 FGEDMM COc1cc(C(=O)/C=C/c2nccn2CC(F)(F)F)cc(OC)c1[O-] ZINC000843271053 730601474 /nfs/dbraw/zinc/60/14/74/730601474.db2.gz QICHVJVYZPFRJB-ONEGZZNKSA-N -1 1 356.300 3.064 20 30 FGEDMM N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852060376 731539921 /nfs/dbraw/zinc/53/99/21/731539921.db2.gz DNMPZRUUDIYSSA-RISCZKNCSA-N -1 1 359.779 3.295 20 30 FGEDMM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cccc(F)c1[O-] ZINC000863008621 732900713 /nfs/dbraw/zinc/90/07/13/732900713.db2.gz YZROBZTYEWQLLA-CYBMUJFWSA-N -1 1 351.378 3.057 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)cc1OC ZINC000901972972 743689741 /nfs/dbraw/zinc/68/97/41/743689741.db2.gz HAKPUHBCOXQCBI-UHFFFAOYSA-N -1 1 358.419 3.254 20 30 FGEDMM C#CC[C@@H]1CCCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)C1 ZINC000903907494 743895247 /nfs/dbraw/zinc/89/52/47/743895247.db2.gz WULNTULGDQHYSD-GFCCVEGCSA-N -1 1 366.255 3.391 20 30 FGEDMM CC(C)(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000904180055 743936239 /nfs/dbraw/zinc/93/62/39/743936239.db2.gz PLJRUXCJPVCQCA-CYBMUJFWSA-N -1 1 360.202 3.380 20 30 FGEDMM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccco2)cc1Br ZINC000916313748 758069783 /nfs/dbraw/zinc/06/97/83/758069783.db2.gz CGASUHBRLHPOAY-UHFFFAOYSA-N -1 1 365.212 3.177 20 30 FGEDMM COc1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)ccc1O ZINC000916368844 758074916 /nfs/dbraw/zinc/07/49/16/758074916.db2.gz QWFZZMBTFOIUKY-UHFFFAOYSA-N -1 1 372.475 3.456 20 30 FGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000049487768 493874922 /nfs/dbraw/zinc/87/49/22/493874922.db2.gz GCZJZWLEMSOJOI-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCC#N)cc2)cc1C ZINC000060617518 493948413 /nfs/dbraw/zinc/94/84/13/493948413.db2.gz GMGJLMGKSDHTKJ-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000070776203 494055354 /nfs/dbraw/zinc/05/53/54/494055354.db2.gz OGHHEXYFHOMRQE-CQSZACIVSA-N -1 1 371.462 3.196 20 30 FGEDMM CC(C)n1c([C@@H]2CCCN(C(=O)c3cc(C#N)cs3)C2)n[n-]c1=S ZINC000084297336 494061698 /nfs/dbraw/zinc/06/16/98/494061698.db2.gz PGLQEYASPKTPJX-GFCCVEGCSA-N -1 1 361.496 3.475 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)nc(C1CC1)n2C ZINC000089642413 494336817 /nfs/dbraw/zinc/33/68/17/494336817.db2.gz SDBNNGNIRQIPKU-UHFFFAOYSA-N -1 1 366.446 3.432 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)ccc1Cl ZINC000055632767 494377954 /nfs/dbraw/zinc/37/79/54/494377954.db2.gz XFABJOBCZCKFPO-UHFFFAOYSA-N -1 1 372.837 3.257 20 30 FGEDMM Cc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000079643826 494499864 /nfs/dbraw/zinc/49/98/64/494499864.db2.gz QWLPOEJBUNMYFG-GFCCVEGCSA-N -1 1 364.430 3.057 20 30 FGEDMM CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000127517130 494955893 /nfs/dbraw/zinc/95/58/93/494955893.db2.gz IJIZBRGUTUIQLF-LJQANCHMSA-N -1 1 371.462 3.218 20 30 FGEDMM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124285580 495262919 /nfs/dbraw/zinc/26/29/19/495262919.db2.gz VPFWONTZLGPHPQ-SECBINFHSA-N -1 1 370.352 3.024 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000135375294 495284568 /nfs/dbraw/zinc/28/45/68/495284568.db2.gz XKIARJZMNJWIMM-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2cnc(SC3CCCC3)nc2)cc1[O-] ZINC000568800874 505779345 /nfs/dbraw/zinc/77/93/45/505779345.db2.gz JADPUPKFKKSKEJ-UHFFFAOYSA-N -1 1 368.462 3.061 20 30 FGEDMM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000150995983 495705565 /nfs/dbraw/zinc/70/55/65/495705565.db2.gz BBHRIIYHACXNGY-OAHLLOKOSA-N -1 1 370.478 3.441 20 30 FGEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172590548 496354778 /nfs/dbraw/zinc/35/47/78/496354778.db2.gz RYDAHRMLRLHMBH-UHFFFAOYSA-N -1 1 374.462 3.221 20 30 FGEDMM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188313966 496750420 /nfs/dbraw/zinc/75/04/20/496750420.db2.gz NGUDFOYTZZROHB-UHFFFAOYSA-N -1 1 362.788 3.345 20 30 FGEDMM N#Cc1ccc(C(=O)NCCCO[C@@H]2CCCc3ccccc32)cc1[O-] ZINC000188405226 496778989 /nfs/dbraw/zinc/77/89/89/496778989.db2.gz ZKDGTMJGKSDOBS-HXUWFJFHSA-N -1 1 350.418 3.478 20 30 FGEDMM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000249135666 497173310 /nfs/dbraw/zinc/17/33/10/497173310.db2.gz WROXCSQTCOSGJN-XYPHTWIQSA-N -1 1 370.449 3.379 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000193356442 497359470 /nfs/dbraw/zinc/35/94/70/497359470.db2.gz LIRPBNQKOFPUTD-UHFFFAOYSA-N -1 1 356.325 3.452 20 30 FGEDMM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000279909629 497584849 /nfs/dbraw/zinc/58/48/49/497584849.db2.gz JUKIZSXUCLZMPM-UHFFFAOYSA-N -1 1 371.462 3.082 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2ccc(F)c(Br)c2)cc1[O-] ZINC000190830633 497616151 /nfs/dbraw/zinc/61/61/51/497616151.db2.gz WKWYOVARZMNYDN-UHFFFAOYSA-N -1 1 363.186 3.138 20 30 FGEDMM N#CC(=C([O-])c1ccnc(OCC(F)F)c1)c1cnc2ccccc2n1 ZINC000190885517 497632654 /nfs/dbraw/zinc/63/26/54/497632654.db2.gz JAKXXFMFZTWJSJ-GFCCVEGCSA-N -1 1 354.316 3.159 20 30 FGEDMM N#C[C@@]1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CC12CCCC2 ZINC000575321514 505960322 /nfs/dbraw/zinc/96/03/22/505960322.db2.gz NKQDEFMMMIKRNM-QGZVFWFLSA-N -1 1 357.801 3.243 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@@H](C)[C@H](C)CC4)nn21 ZINC000297987211 498630031 /nfs/dbraw/zinc/63/00/31/498630031.db2.gz XNGWMPFDXGBBAP-KOLCDFICSA-N -1 1 366.450 3.304 20 30 FGEDMM O=C([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)[C@@H](F)C(F)(F)F ZINC000290932547 498728231 /nfs/dbraw/zinc/72/82/31/498728231.db2.gz SGCFGGUAIYJGFS-DTWKUNHWSA-N -1 1 367.648 3.409 20 30 FGEDMM COc1ccc(/N=C/c2ccc(O)c([O-])c2O)cc1N1CCCCC1=O ZINC000298457628 498776842 /nfs/dbraw/zinc/77/68/42/498776842.db2.gz OGIQVQLOIFSJEV-RGVLZGJSSA-N -1 1 356.378 3.080 20 30 FGEDMM N#Cc1ccc(Cc2cnc(NC([O-])=Nc3cc(C4CC4)[nH]n3)s2)cc1 ZINC000576201339 506100254 /nfs/dbraw/zinc/10/02/54/506100254.db2.gz ZXWNBCKKACXSCS-UHFFFAOYSA-N -1 1 364.434 3.272 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)[C@@H]1C[C@H]1C ZINC000295193600 498939889 /nfs/dbraw/zinc/93/98/89/498939889.db2.gz LPQTWDMITCYVKV-BFUOFWGJSA-N -1 1 369.446 3.120 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)c(F)c1 ZINC000410385786 499659410 /nfs/dbraw/zinc/65/94/10/499659410.db2.gz WVODNJCNNUVGMS-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Cl)cc([N+](=O)[O-])c3)nc1-2 ZINC000429576346 500106651 /nfs/dbraw/zinc/10/66/51/500106651.db2.gz YEBYNXQPHJSYEC-LBPRGKRZSA-N -1 1 355.741 3.318 20 30 FGEDMM COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc(C#N)c([O-])c1)C2 ZINC000422043370 500204382 /nfs/dbraw/zinc/20/43/82/500204382.db2.gz IMJDNMJZYBBPHH-UHFFFAOYSA-N -1 1 352.390 3.086 20 30 FGEDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)o1 ZINC000427104421 500353873 /nfs/dbraw/zinc/35/38/73/500353873.db2.gz ZDYWFNWSTMGKEK-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427134703 500357712 /nfs/dbraw/zinc/35/77/12/500357712.db2.gz CKPCNYWDXYHQBY-UHFFFAOYSA-N -1 1 359.382 3.181 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c(Cl)c1 ZINC000431637902 500401686 /nfs/dbraw/zinc/40/16/86/500401686.db2.gz FGNCLBDIWIPAJF-AWEZNQCLSA-N -1 1 356.781 3.496 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424062591 500445566 /nfs/dbraw/zinc/44/55/66/500445566.db2.gz HBXQPNCBGZJZCI-CYBMUJFWSA-N -1 1 354.497 3.249 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1Br ZINC000432766310 500560343 /nfs/dbraw/zinc/56/03/43/500560343.db2.gz BSQIXOHQSDHOBA-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc2ccccc2n1C(F)F ZINC000442903466 500644727 /nfs/dbraw/zinc/64/47/27/500644727.db2.gz YLPVJHALDKMKPM-SNVBAGLBSA-N -1 1 356.332 3.500 20 30 FGEDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000443087828 500678268 /nfs/dbraw/zinc/67/82/68/500678268.db2.gz SLJHFVSQPHISAV-UHFFFAOYSA-N -1 1 369.899 3.444 20 30 FGEDMM Cc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000448695801 500806219 /nfs/dbraw/zinc/80/62/19/500806219.db2.gz AWNRPWYSGNLQRG-KUHUBIRLSA-N -1 1 369.446 3.284 20 30 FGEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000438606034 500807536 /nfs/dbraw/zinc/80/75/36/500807536.db2.gz HWZWDTVOGOZRHR-UHFFFAOYSA-N -1 1 371.824 3.432 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)s1 ZINC000435426932 500972566 /nfs/dbraw/zinc/97/25/66/500972566.db2.gz KCUVXFNDTHIJIA-GFCCVEGCSA-N -1 1 364.345 3.183 20 30 FGEDMM C=CCc1cc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc(OC)c1OC ZINC000436508328 501143101 /nfs/dbraw/zinc/14/31/01/501143101.db2.gz ZCXDFQJPSYOMCM-UHFFFAOYSA-N -1 1 371.389 3.177 20 30 FGEDMM C=C(C)[C@@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)OCC ZINC000450700747 501189160 /nfs/dbraw/zinc/18/91/60/501189160.db2.gz UCVOJNVRLCTIPZ-CYBMUJFWSA-N -1 1 350.806 3.141 20 30 FGEDMM C=C(C)[C@@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)OCC ZINC000450700747 501189161 /nfs/dbraw/zinc/18/91/61/501189161.db2.gz UCVOJNVRLCTIPZ-CYBMUJFWSA-N -1 1 350.806 3.141 20 30 FGEDMM N#Cc1cccc(C2(NC(=O)c3cc(Br)ccc3[O-])CC2)c1 ZINC000436739879 501201330 /nfs/dbraw/zinc/20/13/30/501201330.db2.gz XSNOATAEUGEDQX-UHFFFAOYSA-N -1 1 357.207 3.445 20 30 FGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)cc1 ZINC000451111934 501246673 /nfs/dbraw/zinc/24/66/73/501246673.db2.gz HZQFQHAOBGNFSD-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)n[nH]1 ZINC000463783555 501820523 /nfs/dbraw/zinc/82/05/23/501820523.db2.gz SSXISQHEOFGKCL-UHFFFAOYSA-N -1 1 368.418 3.066 20 30 FGEDMM N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464419316 501984457 /nfs/dbraw/zinc/98/44/57/501984457.db2.gz CZZMQNCQUZTMDM-CQSZACIVSA-N -1 1 371.322 3.230 20 30 FGEDMM C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000482207010 502007176 /nfs/dbraw/zinc/00/71/76/502007176.db2.gz GVBCYGZGKSNCGH-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000465464957 502272088 /nfs/dbraw/zinc/27/20/88/502272088.db2.gz ILHXVJDVWWUCKW-ZDUSSCGKSA-N -1 1 362.426 3.239 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479489205 502274340 /nfs/dbraw/zinc/27/43/40/502274340.db2.gz LSEOIZGRTOCBGW-UHFFFAOYSA-N -1 1 373.459 3.013 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000475823111 502301235 /nfs/dbraw/zinc/30/12/35/502301235.db2.gz ZIEIEWZFEIWCRZ-UHFFFAOYSA-N -1 1 356.325 3.452 20 30 FGEDMM N#Cc1c(F)cccc1-n1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000487196479 502386917 /nfs/dbraw/zinc/38/69/17/502386917.db2.gz DAEZYOSLCVSLEL-UHFFFAOYSA-N -1 1 371.759 3.308 20 30 FGEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000506797312 503174090 /nfs/dbraw/zinc/17/40/90/503174090.db2.gz PFDIPLCJKPVECB-UHFFFAOYSA-N -1 1 350.827 3.201 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3ncccc3c2)n1 ZINC000536766141 503716999 /nfs/dbraw/zinc/71/69/99/503716999.db2.gz DBNIGKDQUBDPHF-ZDUSSCGKSA-N -1 1 351.387 3.358 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1[O-] ZINC000527476812 503802569 /nfs/dbraw/zinc/80/25/69/503802569.db2.gz SNNSINLSDBBFTK-KRWDZBQOSA-N -1 1 354.381 3.224 20 30 FGEDMM N#CC(=C([O-])c1ccccc1OCCOc1ccccc1)c1ccncn1 ZINC000546860648 503905720 /nfs/dbraw/zinc/90/57/20/503905720.db2.gz ZETIVOXCXKYKTH-SFHVURJKSA-N -1 1 359.385 3.424 20 30 FGEDMM N#Cc1cnc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c(Cl)c1 ZINC000532891551 504771800 /nfs/dbraw/zinc/77/18/00/504771800.db2.gz WZYKZEWLXREWPX-UHFFFAOYSA-N -1 1 373.800 3.440 20 30 FGEDMM N#Cc1c(F)cc(CNC(=O)c2cc(Br)ccc2[O-])cc1F ZINC000550115390 504969869 /nfs/dbraw/zinc/96/98/69/504969869.db2.gz KJXXFIQHJGMFDM-UHFFFAOYSA-N -1 1 367.149 3.235 20 30 FGEDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593204829 506462297 /nfs/dbraw/zinc/46/22/97/506462297.db2.gz NMLMQZJDAKHIPP-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM Cc1[nH][nH]c(=NC(=O)c2cc([O-])cc(C#N)c2)c1-c1cccc(Cl)c1 ZINC000589184324 506472958 /nfs/dbraw/zinc/47/29/58/506472958.db2.gz PSUWCZOXDPUDPW-UHFFFAOYSA-N -1 1 352.781 3.290 20 30 FGEDMM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589187696 506474867 /nfs/dbraw/zinc/47/48/67/506474867.db2.gz JQJOJROXZYFPJI-OAQYLSRUSA-N -1 1 364.445 3.436 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000589196586 506479595 /nfs/dbraw/zinc/47/95/95/506479595.db2.gz QSMABKFNAZRBFT-KRWDZBQOSA-N -1 1 374.343 3.079 20 30 FGEDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccc(F)cc2O1 ZINC000593564441 506687003 /nfs/dbraw/zinc/68/70/03/506687003.db2.gz RFWSXUNREVRWER-LBPRGKRZSA-N -1 1 366.439 3.340 20 30 FGEDMM CCC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000608815315 506717542 /nfs/dbraw/zinc/71/75/42/506717542.db2.gz MVXIEFAEDBWPSI-KRWDZBQOSA-N -1 1 371.462 3.218 20 30 FGEDMM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000590457544 506828739 /nfs/dbraw/zinc/82/87/39/506828739.db2.gz UDGRBSJXXVROCO-LBPRGKRZSA-N -1 1 373.815 3.407 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(Cl)c1 ZINC000583714682 506929752 /nfs/dbraw/zinc/92/97/52/506929752.db2.gz AGVRVVJUSSIYFF-UHFFFAOYSA-N -1 1 361.732 3.426 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)CCc2ccccc2F)c(C#N)cc1N(C)C ZINC000594725550 507254780 /nfs/dbraw/zinc/25/47/80/507254780.db2.gz FGNMTDARKXHNBP-UHFFFAOYSA-N -1 1 361.442 3.056 20 30 FGEDMM CC(C)(C)OC(=O)CCC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000598142531 507277487 /nfs/dbraw/zinc/27/74/87/507277487.db2.gz KWRCBRNXJYJMCX-UHFFFAOYSA-N -1 1 358.438 3.238 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(Br)s2)c1 ZINC000614298161 507446817 /nfs/dbraw/zinc/44/68/17/507446817.db2.gz NUASJSASYITBFY-UHFFFAOYSA-N -1 1 351.225 3.060 20 30 FGEDMM CCOc1cc(CCCNC(=O)c2cc([O-])cc(C#N)c2)ccc1OC ZINC000614369851 507483099 /nfs/dbraw/zinc/48/30/99/507483099.db2.gz HPNQTJVJTVLWRE-UHFFFAOYSA-N -1 1 354.406 3.034 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2ccccc2OC(F)(F)F)C(=O)[O-])c1 ZINC000833076376 601298742 /nfs/dbraw/zinc/29/87/42/601298742.db2.gz UQPSXCFJONBRQM-OAHLLOKOSA-N -1 1 350.296 3.372 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000825256481 604161174 /nfs/dbraw/zinc/16/11/74/604161174.db2.gz YJNSURLQGRBTLS-HIFRSBDPSA-N -1 1 354.372 3.425 20 30 FGEDMM C#CCN1CCC[C@H]1COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833364359 604611894 /nfs/dbraw/zinc/61/18/94/604611894.db2.gz KPPWUYZLNSKALG-AWEZNQCLSA-N -1 1 370.327 3.050 20 30 FGEDMM CC(C)CN(Cc1ccc(C#N)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820092785 606462170 /nfs/dbraw/zinc/46/21/70/606462170.db2.gz PIYADQUIXKINNR-UHFFFAOYSA-N -1 1 367.844 3.449 20 30 FGEDMM CC(C)CN(Cc1ccc(C#N)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820092785 606462172 /nfs/dbraw/zinc/46/21/72/606462172.db2.gz PIYADQUIXKINNR-UHFFFAOYSA-N -1 1 367.844 3.449 20 30 FGEDMM CCC1(CC)C(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[C@@H]1OC ZINC000820958399 606820121 /nfs/dbraw/zinc/82/01/21/606820121.db2.gz UOIZNYLDVIDLBD-NSHDSACASA-N -1 1 361.450 3.145 20 30 FGEDMM N#Cc1ccc(COc2cccc(F)c2-c2nnn[n-]2)c(OC(F)F)c1 ZINC000826384606 607866656 /nfs/dbraw/zinc/86/66/56/607866656.db2.gz CCJRQAOUGXRFAN-UHFFFAOYSA-N -1 1 361.283 3.058 20 30 FGEDMM N#Cc1ccc(COc2cccc(F)c2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000826384606 607866657 /nfs/dbraw/zinc/86/66/57/607866657.db2.gz CCJRQAOUGXRFAN-UHFFFAOYSA-N -1 1 361.283 3.058 20 30 FGEDMM CC(=NNC(=S)Nc1c(C)cccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953545 608091795 /nfs/dbraw/zinc/09/17/95/608091795.db2.gz FWTSGVMTRAQPMZ-UHFFFAOYSA-N -1 1 371.495 3.256 20 30 FGEDMM C[C@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000120293965 700652256 /nfs/dbraw/zinc/65/22/56/700652256.db2.gz BHTDKBCCAACIAC-GFCCVEGCSA-N -1 1 362.382 3.085 20 30 FGEDMM N#CCOc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000180497361 705743614 /nfs/dbraw/zinc/74/36/14/705743614.db2.gz MRASYBYARQLQFP-UHFFFAOYSA-N -1 1 350.296 3.243 20 30 FGEDMM O=C(/C=C\c1cnc2ccc(Br)cn12)c1cc(O)ccc1[O-] ZINC000255056350 713682364 /nfs/dbraw/zinc/68/23/64/713682364.db2.gz KMRNTOSBCNYETJ-RQOWECAXSA-N -1 1 359.179 3.404 20 30 FGEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000311590048 713801888 /nfs/dbraw/zinc/80/18/88/713801888.db2.gz AFDAJAVSBLQKRZ-UHFFFAOYSA-N -1 1 367.696 3.378 20 30 FGEDMM CCCCCCCC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000381912438 713979733 /nfs/dbraw/zinc/97/97/33/713979733.db2.gz HDFOEOUYWOLXRJ-UHFFFAOYSA-N -1 1 366.325 3.130 20 30 FGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000615469901 714529986 /nfs/dbraw/zinc/52/99/86/714529986.db2.gz BMCKFYVMOKOGOL-ZDUSSCGKSA-N -1 1 355.825 3.174 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000619463209 714838841 /nfs/dbraw/zinc/83/88/41/714838841.db2.gz RZFOFBPGVLHUPR-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)s1 ZINC000619547067 714850713 /nfs/dbraw/zinc/85/07/13/714850713.db2.gz YHGXOECHPZIATM-UHFFFAOYSA-N -1 1 364.839 3.464 20 30 FGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c(C)c1 ZINC000779845606 724430394 /nfs/dbraw/zinc/43/03/94/724430394.db2.gz RBSRYOQOGQAWAT-AWEZNQCLSA-N -1 1 360.435 3.404 20 30 FGEDMM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(C(F)(F)F)c(F)c1 ZINC000629305179 716258792 /nfs/dbraw/zinc/25/87/92/716258792.db2.gz LSRPQMHDDPSCME-UHFFFAOYSA-N -1 1 369.258 3.165 20 30 FGEDMM COc1cc(CN=Nc2cccc(F)c2F)ccc1OCCC(=O)[O-] ZINC000783848657 724796163 /nfs/dbraw/zinc/79/61/63/724796163.db2.gz HCJQFKAEFYHCJV-UHFFFAOYSA-N -1 1 350.321 3.273 20 30 FGEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360216 722467673 /nfs/dbraw/zinc/46/76/73/722467673.db2.gz SEJBWZQKNFCSKK-XXFAHNHDSA-N -1 1 373.236 3.299 20 30 FGEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360214 722467678 /nfs/dbraw/zinc/46/76/78/722467678.db2.gz SEJBWZQKNFCSKK-FVMDXXJSSA-N -1 1 373.236 3.299 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000743343952 722565983 /nfs/dbraw/zinc/56/59/83/722565983.db2.gz LBLYDISBEMCYGX-SNVBAGLBSA-N -1 1 365.798 3.159 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(C)sc1C ZINC000746491209 722604653 /nfs/dbraw/zinc/60/46/53/722604653.db2.gz BUKRZDHOWQQFCA-UHFFFAOYSA-N -1 1 367.452 3.117 20 30 FGEDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000748640069 722699572 /nfs/dbraw/zinc/69/95/72/722699572.db2.gz NWQAGOPXVNFFLS-UHFFFAOYSA-N -1 1 353.403 3.246 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)s2)cc1Cl ZINC000750687461 722777594 /nfs/dbraw/zinc/77/75/94/722777594.db2.gz OFMDFUWBLWTDIQ-LLVKDONJSA-N -1 1 359.794 3.243 20 30 FGEDMM COc1ccc(C=Nn2cnnc2-c2ccccc2)c(Br)c1[O-] ZINC000761015625 723113196 /nfs/dbraw/zinc/11/31/96/723113196.db2.gz PDUNPYJODYFPNP-UHFFFAOYSA-N -1 1 373.210 3.304 20 30 FGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1cccc(Br)c1 ZINC000790546584 723151760 /nfs/dbraw/zinc/15/17/60/723151760.db2.gz LIZJYOWLHMTBFA-CYBMUJFWSA-N -1 1 373.197 3.192 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000796085902 723620122 /nfs/dbraw/zinc/62/01/22/723620122.db2.gz HAGOHBQOGLNTBR-CYBMUJFWSA-N -1 1 368.773 3.040 20 30 FGEDMM C[C@H]1C(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000767789587 723634348 /nfs/dbraw/zinc/63/43/48/723634348.db2.gz ZIYVKJZEJLFYEE-TZMCWYRMSA-N -1 1 359.407 3.053 20 30 FGEDMM O=C([N-]CCCN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)C(F)(F)F ZINC000774567275 723907343 /nfs/dbraw/zinc/90/73/43/723907343.db2.gz RZYBBUOYGTXHKG-OCAPTIKFSA-N -1 1 374.247 3.118 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000785613911 724925471 /nfs/dbraw/zinc/92/54/71/724925471.db2.gz VQWZKBFCAHFXFH-XXFAHNHDSA-N -1 1 365.216 3.423 20 30 FGEDMM O=C([O-])c1ccc(N=NCc2cn3ccc(Br)cc3n2)cc1 ZINC000811628712 725375158 /nfs/dbraw/zinc/37/51/58/725375158.db2.gz JQZOIBMIAPWVRC-UHFFFAOYSA-N -1 1 359.183 3.241 20 30 FGEDMM COc1ccc(CN=Nc2ccc(F)c(F)c2F)c(OCC(=O)[O-])c1 ZINC000814945412 727013311 /nfs/dbraw/zinc/01/33/11/727013311.db2.gz WZZMOKZDHTUQHO-UHFFFAOYSA-N -1 1 354.284 3.022 20 30 FGEDMM COCc1nc(Cl)cc(NN=Cc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000814977767 727015886 /nfs/dbraw/zinc/01/58/86/727015886.db2.gz BIQJHWCKCSMXLH-UHFFFAOYSA-N -1 1 355.181 3.074 20 30 FGEDMM CC(C)(C#N)CCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817293481 727237457 /nfs/dbraw/zinc/23/74/57/727237457.db2.gz MFAQDWOHZNZLLK-CQSZACIVSA-N -1 1 353.388 3.426 20 30 FGEDMM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1c([O-])cccc1F ZINC000819430174 727374914 /nfs/dbraw/zinc/37/49/14/727374914.db2.gz BTDRSSUWPGUAHV-GFCCVEGCSA-N -1 1 351.378 3.057 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N=S(C)(C)=O)cc1 ZINC000821111675 729059475 /nfs/dbraw/zinc/05/94/75/729059475.db2.gz PUPNIOYRRFSOLU-UHFFFAOYSA-N -1 1 363.464 3.027 20 30 FGEDMM C[C@H]1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2sccc21 ZINC000834962989 729848186 /nfs/dbraw/zinc/84/81/86/729848186.db2.gz MCORWKDCBXNDLE-JTQLQIEISA-N -1 1 365.436 3.236 20 30 FGEDMM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000842294857 730481708 /nfs/dbraw/zinc/48/17/08/730481708.db2.gz NRYJOWKTTULQON-AAEUAGOBSA-N -1 1 357.435 3.359 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000853290157 731691679 /nfs/dbraw/zinc/69/16/79/731691679.db2.gz WMTOWAUDOIKEFM-WDEREUQCSA-N -1 1 359.373 3.080 20 30 FGEDMM CCOCc1nc(Cl)cc(N=NC(C)c2cc(F)cc(F)c2[O-])n1 ZINC000901313907 743251490 /nfs/dbraw/zinc/25/14/90/743251490.db2.gz ZPBFJMRYTHBLQD-UHFFFAOYSA-N -1 1 356.760 3.486 20 30 FGEDMM CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccc(CCC#N)cc2)n1 ZINC000901714698 743625853 /nfs/dbraw/zinc/62/58/53/743625853.db2.gz VJOOGMLNXORJAH-UHFFFAOYSA-N -1 1 352.847 3.374 20 30 FGEDMM C=CCC[C@H](CO)[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902942385 743791352 /nfs/dbraw/zinc/79/13/52/743791352.db2.gz FGSAFQGCSNVTIK-SECBINFHSA-N -1 1 372.721 3.289 20 30 FGEDMM [O-]c1ccc(C=NNC(=S)NC2CCCCC2)cc1Br ZINC000915924745 758005167 /nfs/dbraw/zinc/00/51/67/758005167.db2.gz FLSKILJZIJAHTI-UHFFFAOYSA-N -1 1 356.289 3.285 20 30 FGEDMM COc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1Br ZINC000916241863 758056254 /nfs/dbraw/zinc/05/62/54/758056254.db2.gz YGVNAVWHCTVQOF-UHFFFAOYSA-N -1 1 351.204 3.098 20 30 FGEDMM [O-]c1c(Cl)cc(Cl)cc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000916305513 758067740 /nfs/dbraw/zinc/06/77/40/758067740.db2.gz TWGZSTYWBDBZJS-UHFFFAOYSA-N -1 1 357.144 3.480 20 30 FGEDMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000917528622 758234366 /nfs/dbraw/zinc/23/43/66/758234366.db2.gz BDXLTTNWDMVKPH-UHFFFAOYSA-N -1 1 356.817 3.393 20 30 FGEDMM C=CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000918502195 758333827 /nfs/dbraw/zinc/33/38/27/758333827.db2.gz YCACGQBXPWMJRP-UHFFFAOYSA-N -1 1 361.419 3.229 20 30 FGEDMM N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)nc1 ZINC000928716611 760245388 /nfs/dbraw/zinc/24/53/88/760245388.db2.gz JDSWWOWCINILHW-AWEZNQCLSA-N -1 1 356.813 3.029 20 30 FGEDMM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000068241630 493783384 /nfs/dbraw/zinc/78/33/84/493783384.db2.gz DKCIZVOXRJAVKO-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1 ZINC000032600065 493999399 /nfs/dbraw/zinc/99/93/99/493999399.db2.gz MBKVPOFIMOFRPD-UHFFFAOYSA-N -1 1 356.325 3.300 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CC#N)cc2)c1 ZINC000064346029 494116823 /nfs/dbraw/zinc/11/68/23/494116823.db2.gz XFLGQHMVOKPSQW-HNNXBMFYSA-N -1 1 371.462 3.136 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C ZINC000077709865 494150903 /nfs/dbraw/zinc/15/09/03/494150903.db2.gz RFRCMJPBBVUWNJ-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c12 ZINC000041553274 494167308 /nfs/dbraw/zinc/16/73/08/494167308.db2.gz RJVRWSAGESDUDF-ZDUSSCGKSA-N -1 1 373.338 3.489 20 30 FGEDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000065223921 494180164 /nfs/dbraw/zinc/18/01/64/494180164.db2.gz LRIQZDQZFFMSKN-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000055312541 494325362 /nfs/dbraw/zinc/32/53/62/494325362.db2.gz DNTQXBFTNVDUKE-UHFFFAOYSA-N -1 1 353.378 3.285 20 30 FGEDMM O=C(CCc1nc(-c2ccsc2)no1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043997099 494334338 /nfs/dbraw/zinc/33/43/38/494334338.db2.gz LPPVYDFVAOUMRV-UHFFFAOYSA-N -1 1 358.305 3.156 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000116858287 494863301 /nfs/dbraw/zinc/86/33/01/494863301.db2.gz OUIRDAPSXZYODX-OAHLLOKOSA-N -1 1 358.463 3.490 20 30 FGEDMM C=CCN(CC=C)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000093900707 494932567 /nfs/dbraw/zinc/93/25/67/494932567.db2.gz BVKLYBMJOUTENO-UHFFFAOYSA-N -1 1 358.316 3.317 20 30 FGEDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)s1 ZINC000122295606 494953777 /nfs/dbraw/zinc/95/37/77/494953777.db2.gz GGRWRPMNGZAZQB-CQSZACIVSA-N -1 1 367.883 3.406 20 30 FGEDMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000133342148 495002915 /nfs/dbraw/zinc/00/29/15/495002915.db2.gz OCWLAJCOQBSDAF-UHFFFAOYSA-N -1 1 353.407 3.349 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@H](C)CC#N)c2)c1 ZINC000103443080 495233112 /nfs/dbraw/zinc/23/31/12/495233112.db2.gz XBVBMWZJDMCGIT-OAHLLOKOSA-N -1 1 371.462 3.170 20 30 FGEDMM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124285375 495263259 /nfs/dbraw/zinc/26/32/59/495263259.db2.gz VPFWONTZLGPHPQ-VIFPVBQESA-N -1 1 370.352 3.024 20 30 FGEDMM C=C(C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000183064338 495819638 /nfs/dbraw/zinc/81/96/38/495819638.db2.gz BMZHFYTWASLZHX-UHFFFAOYSA-N -1 1 362.426 3.275 20 30 FGEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000186427683 495995507 /nfs/dbraw/zinc/99/55/07/495995507.db2.gz BNPXNVHZAREWSR-MRVPVSSYSA-N -1 1 369.643 3.212 20 30 FGEDMM CC[C@@H](CC#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000183818771 496125991 /nfs/dbraw/zinc/12/59/91/496125991.db2.gz BDJSJDLSZNTNKA-AWEZNQCLSA-N -1 1 373.359 3.345 20 30 FGEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000187237271 496354837 /nfs/dbraw/zinc/35/48/37/496354837.db2.gz OOWRTNNLAVEJSB-LBPRGKRZSA-N -1 1 353.403 3.255 20 30 FGEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000178327915 496414705 /nfs/dbraw/zinc/41/47/05/496414705.db2.gz JRCFRCZPRQADHC-UHFFFAOYSA-N -1 1 352.799 3.030 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(C)cc2OC(F)F)c(=O)o1 ZINC000172814189 496443645 /nfs/dbraw/zinc/44/36/45/496443645.db2.gz FYJPOTFAUCFSSG-DWTRPJMMSA-N -1 1 350.317 3.133 20 30 FGEDMM C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000188473139 496800979 /nfs/dbraw/zinc/80/09/79/496800979.db2.gz NFOUGOWJJOJHSN-OXJNMPFZSA-N -1 1 363.461 3.389 20 30 FGEDMM COC(=O)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2ccccc2c1 ZINC000189201417 497042795 /nfs/dbraw/zinc/04/27/95/497042795.db2.gz RXVRRPXFDDEXIE-IBGZPJMESA-N -1 1 360.369 3.061 20 30 FGEDMM COc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1F ZINC000190732427 497588404 /nfs/dbraw/zinc/58/84/04/497588404.db2.gz NMCJMYATYPTTRZ-UHFFFAOYSA-N -1 1 364.398 3.318 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)CC#N)c1 ZINC000194653008 497731102 /nfs/dbraw/zinc/73/11/02/497731102.db2.gz JDANUWPQJGBARG-HNNXBMFYSA-N -1 1 371.462 3.136 20 30 FGEDMM N#Cc1cccnc1NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000301205659 497999191 /nfs/dbraw/zinc/99/91/91/497999191.db2.gz YYSJLDQJASYFHB-UHFFFAOYSA-N -1 1 364.430 3.366 20 30 FGEDMM COc1cc(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000331269238 498289607 /nfs/dbraw/zinc/28/96/07/498289607.db2.gz JUJBAPMHNZZPGR-WDEREUQCSA-N -1 1 354.834 3.148 20 30 FGEDMM N#Cc1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000362759439 498549894 /nfs/dbraw/zinc/54/98/94/498549894.db2.gz OHMUMBJNPPQMJK-UHFFFAOYSA-N -1 1 351.362 3.271 20 30 FGEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(C#N)c2)c(=O)[n-]1 ZINC000294988847 498872210 /nfs/dbraw/zinc/87/22/10/498872210.db2.gz GXJGWGHTOAFANJ-UHFFFAOYSA-N -1 1 362.842 3.309 20 30 FGEDMM O=C1c2cnn(-c3ncccn3)c2CC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000366527141 498965947 /nfs/dbraw/zinc/96/59/47/498965947.db2.gz JATYMRIUEXYAQV-WQLSENKSSA-N -1 1 352.781 3.234 20 30 FGEDMM CC1=C(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC1 ZINC000329116893 499047033 /nfs/dbraw/zinc/04/70/33/499047033.db2.gz NQBCOZVWUXJGBF-UHFFFAOYSA-N -1 1 350.440 3.265 20 30 FGEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000410414907 499661465 /nfs/dbraw/zinc/66/14/65/499661465.db2.gz TWJZTPAPOBBRMU-UHFFFAOYSA-N -1 1 366.446 3.376 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 ZINC000411007884 499689890 /nfs/dbraw/zinc/68/98/90/499689890.db2.gz HGTIJONFRKPFPK-VHSXEESVSA-N -1 1 372.450 3.365 20 30 FGEDMM CN1C(=O)c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2C1=O ZINC000430597191 500260333 /nfs/dbraw/zinc/26/03/33/500260333.db2.gz PYYCRPBZMFSMLU-ZDUSSCGKSA-N -1 1 367.430 3.156 20 30 FGEDMM Cc1cnc(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c([O-])c1 ZINC000427004874 500343826 /nfs/dbraw/zinc/34/38/26/500343826.db2.gz MAUFFHJWZWLROK-UHFFFAOYSA-N -1 1 351.406 3.087 20 30 FGEDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000427097937 500352978 /nfs/dbraw/zinc/35/29/78/500352978.db2.gz YHUJWWWLKSIWGE-UHFFFAOYSA-N -1 1 364.810 3.189 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OCC(F)F ZINC000427214111 500368879 /nfs/dbraw/zinc/36/88/79/500368879.db2.gz VWCHKPVIOHRFRZ-UHFFFAOYSA-N -1 1 370.352 3.451 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)cc1C#N ZINC000427784572 500432509 /nfs/dbraw/zinc/43/25/09/500432509.db2.gz YVWOZLCHIRFXJJ-UHFFFAOYSA-N -1 1 369.450 3.236 20 30 FGEDMM C=C[C@@H]1CCCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000428035437 500460819 /nfs/dbraw/zinc/46/08/19/500460819.db2.gz FZRXNOVPWPHHHU-MRXNPFEDSA-N -1 1 352.438 3.052 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(-c2ccccc2)cs1 ZINC000428261104 500488479 /nfs/dbraw/zinc/48/84/79/500488479.db2.gz ORYGTOHARHQOGU-LBPRGKRZSA-N -1 1 370.459 3.116 20 30 FGEDMM Cc1cc(-c2noc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)ccc1F ZINC000443065427 500672661 /nfs/dbraw/zinc/67/26/61/500672661.db2.gz ZUIWPIZFKDUZGO-LLVKDONJSA-N -1 1 366.352 3.252 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1F ZINC000443405813 500719508 /nfs/dbraw/zinc/71/95/08/500719508.db2.gz CIBUCGBFBUZSGD-UHFFFAOYSA-N -1 1 369.299 3.389 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000588132099 506216329 /nfs/dbraw/zinc/21/63/29/506216329.db2.gz BECGCQAFCDUPEE-AWEZNQCLSA-N -1 1 368.792 3.456 20 30 FGEDMM N#CCCCn1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccc21 ZINC000444022254 500793246 /nfs/dbraw/zinc/79/32/46/500793246.db2.gz QBLPHLJYQRTPLP-UHFFFAOYSA-N -1 1 362.315 3.334 20 30 FGEDMM Cc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000448695802 500806335 /nfs/dbraw/zinc/80/63/35/500806335.db2.gz AWNRPWYSGNLQRG-LIRRHRJNSA-N -1 1 369.446 3.284 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(Br)c1 ZINC000435496301 500984973 /nfs/dbraw/zinc/98/49/73/500984973.db2.gz KERFIAGUEZLKKE-UHFFFAOYSA-N -1 1 373.253 3.192 20 30 FGEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435594850 500998314 /nfs/dbraw/zinc/99/83/14/500998314.db2.gz BXYALIZQEXATCG-NOZJJQNGSA-N -1 1 368.257 3.392 20 30 FGEDMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)o1 ZINC000435717478 501016977 /nfs/dbraw/zinc/01/69/77/501016977.db2.gz NULXOPWOKSKJSK-UHFFFAOYSA-N -1 1 368.418 3.280 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)ccc1C#N ZINC000446785551 501165018 /nfs/dbraw/zinc/16/50/18/501165018.db2.gz MXLIEKPNYFDCLF-UHFFFAOYSA-N -1 1 374.372 3.336 20 30 FGEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000436793349 501212685 /nfs/dbraw/zinc/21/26/85/501212685.db2.gz LBETZXIMCLIZCW-UHFFFAOYSA-N -1 1 353.378 3.262 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CCC2)c1 ZINC000592828395 506267548 /nfs/dbraw/zinc/26/75/48/506267548.db2.gz OMZZMIAQGAXESM-HXUWFJFHSA-N -1 1 350.418 3.067 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000465106325 502192639 /nfs/dbraw/zinc/19/26/39/502192639.db2.gz DWUYXOYADUFKQF-GFCCVEGCSA-N -1 1 364.854 3.445 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000465114202 502194591 /nfs/dbraw/zinc/19/45/91/502194591.db2.gz LNXJETKQUDBXTN-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)CCCC#N ZINC000462027337 502279262 /nfs/dbraw/zinc/27/92/62/502279262.db2.gz SASMYVTWFMZORY-UHFFFAOYSA-N -1 1 371.462 3.140 20 30 FGEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)[nH]n2)c1 ZINC000472430893 502349279 /nfs/dbraw/zinc/34/92/79/502349279.db2.gz MWIFZDMPZFGOKH-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM N#CCCn1ccc(N=C([O-])Nc2ncc(Cc3ccc(F)cc3)s2)n1 ZINC000497251716 502928813 /nfs/dbraw/zinc/92/88/13/502928813.db2.gz ZEXNSHCQIKOATD-UHFFFAOYSA-N -1 1 370.413 3.049 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000498101932 503106715 /nfs/dbraw/zinc/10/67/15/503106715.db2.gz NZSOFUJVTWOKLQ-NSHDSACASA-N -1 1 364.448 3.330 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000507970419 503406150 /nfs/dbraw/zinc/40/61/50/503406150.db2.gz OIIZJKQIALEFBJ-UHFFFAOYSA-N -1 1 369.450 3.331 20 30 FGEDMM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2cnn(C)c2n1 ZINC000500051743 503541317 /nfs/dbraw/zinc/54/13/17/503541317.db2.gz YQSRHXIKRWCYIE-LBPRGKRZSA-N -1 1 359.311 3.181 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C(F)(F)F)c1 ZINC000543665858 503846466 /nfs/dbraw/zinc/84/64/66/503846466.db2.gz NCJAWIPWKVXPLK-UHFFFAOYSA-N -1 1 370.308 3.076 20 30 FGEDMM N#C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000538848772 504391721 /nfs/dbraw/zinc/39/17/21/504391721.db2.gz NYYRWCNDFXYFLA-ZDUSSCGKSA-N -1 1 358.316 3.388 20 30 FGEDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000532262728 504589595 /nfs/dbraw/zinc/58/95/95/504589595.db2.gz QWDUPKVFOFAHDN-UHFFFAOYSA-N -1 1 352.847 3.407 20 30 FGEDMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536045850 504617137 /nfs/dbraw/zinc/61/71/37/504617137.db2.gz OSFVAJSDIAJELB-SNVBAGLBSA-N -1 1 372.837 3.491 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000553430170 504912649 /nfs/dbraw/zinc/91/26/49/504912649.db2.gz KXEOSLWTYLNMIK-HNNXBMFYSA-N -1 1 365.216 3.424 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OCc3ccccc3)c2)o1 ZINC000553448974 504917286 /nfs/dbraw/zinc/91/72/86/504917286.db2.gz XFQVGZBVSICZNA-UHFFFAOYSA-N -1 1 368.414 3.209 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000567719168 505548761 /nfs/dbraw/zinc/54/87/61/505548761.db2.gz DTIGSJKGFLQMAX-INIZCTEOSA-N -1 1 362.407 3.420 20 30 FGEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593194641 506455878 /nfs/dbraw/zinc/45/58/78/506455878.db2.gz JDTOVHCQCDRESL-UHFFFAOYSA-N -1 1 371.462 3.038 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 ZINC000589169068 506467425 /nfs/dbraw/zinc/46/74/25/506467425.db2.gz VACQWXVPJJWNIZ-UHFFFAOYSA-N -1 1 355.357 3.226 20 30 FGEDMM CC(C)C[C@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000608823989 506720477 /nfs/dbraw/zinc/72/04/77/506720477.db2.gz XJUPGZXVGIROFH-QGZVFWFLSA-N -1 1 371.462 3.155 20 30 FGEDMM N#Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000591822214 507378173 /nfs/dbraw/zinc/37/81/73/507378173.db2.gz HDZXNRPYMPYPIU-UHFFFAOYSA-N -1 1 351.362 3.271 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000592351023 507613595 /nfs/dbraw/zinc/61/35/95/507613595.db2.gz MVZDYTVTJBZTBR-DZGCQCFKSA-N -1 1 356.513 3.351 20 30 FGEDMM C#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735379995 599215446 /nfs/dbraw/zinc/21/54/46/599215446.db2.gz BFCBRPKECXPZPW-UHFFFAOYSA-N -1 1 354.753 3.102 20 30 FGEDMM N#Cc1ccc([C@H](NCc2ccccc2OC(F)(F)F)C(=O)[O-])cc1 ZINC000739104469 600592623 /nfs/dbraw/zinc/59/26/23/600592623.db2.gz BBHOVZIITRJRPU-HNNXBMFYSA-N -1 1 350.296 3.372 20 30 FGEDMM N#Cc1ccc([C@H](NCc2csc(Br)c2)C(=O)[O-])cc1 ZINC000739105423 600593643 /nfs/dbraw/zinc/59/36/43/600593643.db2.gz HBVKDJPVNHTBHB-ZDUSSCGKSA-N -1 1 351.225 3.298 20 30 FGEDMM C=CCN1C(=O)N=NC1SCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000825711210 601863172 /nfs/dbraw/zinc/86/31/72/601863172.db2.gz UDADDJQEWCOPJL-UHFFFAOYSA-N -1 1 374.447 3.284 20 30 FGEDMM CC(C)(CCC#N)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833457028 604576032 /nfs/dbraw/zinc/57/60/32/604576032.db2.gz HPBXGJMDRJBHNM-KRWDZBQOSA-N -1 1 363.889 3.413 20 30 FGEDMM O=C([O-])[C@H]1CC12CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000833771673 604881395 /nfs/dbraw/zinc/88/13/95/604881395.db2.gz MGVPHKGTPAXDOI-OAHLLOKOSA-N -1 1 353.340 3.123 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@H](C)c2nc3ccccc3s2)o1 ZINC000819782870 606370499 /nfs/dbraw/zinc/37/04/99/606370499.db2.gz QPNWBQFIOUELKS-QMMMGPOBSA-N -1 1 368.426 3.364 20 30 FGEDMM Cc1cc(NN=Cc2ccc(-c3nn[n-]n3)s2)ccc1Br ZINC000822209354 606370853 /nfs/dbraw/zinc/37/08/53/606370853.db2.gz FFKGQUCBVULNAQ-UHFFFAOYSA-N -1 1 363.244 3.445 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(F)cc(F)c2)o1 ZINC000819782604 606700652 /nfs/dbraw/zinc/70/06/52/606700652.db2.gz OWWXRZAQTRNNTO-UHFFFAOYSA-N -1 1 361.356 3.168 20 30 FGEDMM Cc1oc2ccccc2c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826342557 607965176 /nfs/dbraw/zinc/96/51/76/607965176.db2.gz QCDZNSBNLJWZNY-UHFFFAOYSA-N -1 1 351.370 3.479 20 30 FGEDMM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823962896 608092297 /nfs/dbraw/zinc/09/22/97/608092297.db2.gz QUMOIRVDIFIFLV-UHFFFAOYSA-N -1 1 354.226 3.466 20 30 FGEDMM N#Cc1ccc(CN(c2snc(Cl)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000826384754 608181572 /nfs/dbraw/zinc/18/15/72/608181572.db2.gz IEALMXLZNNEPDR-UHFFFAOYSA-N -1 1 357.830 3.017 20 30 FGEDMM N#Cc1ccc(CN(c2snc(Cl)c2-c2nn[n-]n2)C2CC2)cc1 ZINC000826384754 608181573 /nfs/dbraw/zinc/18/15/73/608181573.db2.gz IEALMXLZNNEPDR-UHFFFAOYSA-N -1 1 357.830 3.017 20 30 FGEDMM C#CCCCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823837867 608300703 /nfs/dbraw/zinc/30/07/03/608300703.db2.gz HYPXYSMRKUKYIL-UHFFFAOYSA-N -1 1 365.462 3.405 20 30 FGEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)cs2)cc1 ZINC000124780271 700724926 /nfs/dbraw/zinc/72/49/26/700724926.db2.gz ARGWOVQLBMAOJX-ZPUOCTKUSA-N -1 1 353.399 3.347 20 30 FGEDMM CS[C@H](C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156224984 705106965 /nfs/dbraw/zinc/10/69/65/705106965.db2.gz XCWGSBUVOVSMNU-KOLCDFICSA-N -1 1 361.492 3.181 20 30 FGEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000619856525 714875233 /nfs/dbraw/zinc/87/52/33/714875233.db2.gz GHBUMNMZEFYIPO-LURJTMIESA-N -1 1 372.071 3.336 20 30 FGEDMM COC(=O)c1cc(Cl)cc(NC(=O)/C=C\c2ccccc2C#N)c1[O-] ZINC000804901806 724562432 /nfs/dbraw/zinc/56/24/32/724562432.db2.gz NGZOHLQIHMAVJF-SREVYHEPSA-N -1 1 356.765 3.356 20 30 FGEDMM CC(N=Nc1ncccc1[N+](=O)[O-])c1cc(Br)cc(F)c1[O-] ZINC000783854704 724796379 /nfs/dbraw/zinc/79/63/79/724796379.db2.gz YRTMYOQZHGGEIY-UHFFFAOYSA-N -1 1 369.150 3.433 20 30 FGEDMM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000726732684 722437412 /nfs/dbraw/zinc/43/74/12/722437412.db2.gz JNYPTRTXFIBHRC-ZDUSSCGKSA-N -1 1 352.781 3.486 20 30 FGEDMM N#CCCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000733866292 722501565 /nfs/dbraw/zinc/50/15/65/722501565.db2.gz DJNIYENIODFJFP-UHFFFAOYSA-N -1 1 358.419 3.338 20 30 FGEDMM C=CCSCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740923977 722539774 /nfs/dbraw/zinc/53/97/74/722539774.db2.gz ROMJUTYMUXCSCF-UHFFFAOYSA-N -1 1 352.456 3.388 20 30 FGEDMM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000741658234 722548130 /nfs/dbraw/zinc/54/81/30/722548130.db2.gz PNVZOMNLBGFQMM-UHFFFAOYSA-N -1 1 363.410 3.264 20 30 FGEDMM C[C@@H](Oc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1)C(=O)[O-] ZINC000746679409 722614279 /nfs/dbraw/zinc/61/42/79/722614279.db2.gz QYBFINUIJMLNEP-SNVBAGLBSA-N -1 1 353.300 3.398 20 30 FGEDMM N#Cc1ccc(OCCOC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000750551881 722772222 /nfs/dbraw/zinc/77/22/22/722772222.db2.gz NNTQNOWNZGFNSX-UHFFFAOYSA-N -1 1 362.179 3.262 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1C#N ZINC000751548932 722812714 /nfs/dbraw/zinc/81/27/14/722812714.db2.gz SPBVSVMHRBTCEO-UHFFFAOYSA-N -1 1 359.407 3.236 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(O)c(Br)c1 ZINC000756905753 722971686 /nfs/dbraw/zinc/97/16/86/722971686.db2.gz IFMRZECFFQPYKC-UHFFFAOYSA-N -1 1 365.183 3.308 20 30 FGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(O)c(Br)c2)c1 ZINC000757475090 722976545 /nfs/dbraw/zinc/97/65/45/722976545.db2.gz WXFRPEXTUZVURU-DAFODLJHSA-N -1 1 363.163 3.455 20 30 FGEDMM [O-]c1c(O)cc(C=NNCc2ccc(F)cc2F)cc1Br ZINC000757574654 722977144 /nfs/dbraw/zinc/97/71/44/722977144.db2.gz KLULRSRFGZLPNB-UHFFFAOYSA-N -1 1 357.154 3.262 20 30 FGEDMM [O-]c1c(O)cc(C=NNCc2cc(F)ccc2F)cc1Br ZINC000757574992 722977172 /nfs/dbraw/zinc/97/71/72/722977172.db2.gz JMPARRSDMQINFT-UHFFFAOYSA-N -1 1 357.154 3.262 20 30 FGEDMM COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000789932426 723086512 /nfs/dbraw/zinc/08/65/12/723086512.db2.gz ZHGSANIAGXVTHP-UHFFFAOYSA-N -1 1 361.785 3.119 20 30 FGEDMM COc1cccc(S(C)(=O)=O)c1NN=Cc1c([O-])ccc(Cl)c1F ZINC000790176100 723111588 /nfs/dbraw/zinc/11/15/88/723111588.db2.gz MRJNFVCLPGJIAM-UHFFFAOYSA-N -1 1 372.805 3.043 20 30 FGEDMM Cn1nc(-c2ccccc2)c(CN=Nc2ccc(C(=O)[O-])cn2)c1Cl ZINC000763371670 723338086 /nfs/dbraw/zinc/33/80/86/723338086.db2.gz HOUWRBVVDRIVPP-UHFFFAOYSA-N -1 1 355.785 3.280 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000794580101 723532901 /nfs/dbraw/zinc/53/29/01/723532901.db2.gz SXBPVWCTVUJZDK-UHFFFAOYSA-N -1 1 359.407 3.122 20 30 FGEDMM CC[C@@H]1C[C@H](C)CCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000769573321 723690088 /nfs/dbraw/zinc/69/00/88/723690088.db2.gz BRBTXBNUXTULDZ-TZMCWYRMSA-N -1 1 353.444 3.216 20 30 FGEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000797816703 723865506 /nfs/dbraw/zinc/86/55/06/723865506.db2.gz GKTFABWZHAKTQT-UHFFFAOYSA-N -1 1 359.407 3.154 20 30 FGEDMM CSCCNC(=S)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774588245 723909114 /nfs/dbraw/zinc/90/91/14/723909114.db2.gz ZMRVTFAGOAPRLQ-UHFFFAOYSA-N -1 1 353.900 3.360 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000776350729 724135039 /nfs/dbraw/zinc/13/50/39/724135039.db2.gz UURRGULSMUFFIP-OAHLLOKOSA-N -1 1 351.189 3.034 20 30 FGEDMM C#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccccc1 ZINC000778028046 724286659 /nfs/dbraw/zinc/28/66/59/724286659.db2.gz KPBMNQLPVSPJDC-CYBMUJFWSA-N -1 1 355.246 3.431 20 30 FGEDMM C#CCCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000785490274 724916843 /nfs/dbraw/zinc/91/68/43/724916843.db2.gz UWWRRCCJKWYWHZ-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(Br)cc1 ZINC000785805864 724938379 /nfs/dbraw/zinc/93/83/79/724938379.db2.gz ZJZJOXPULIYQIB-GFCCVEGCSA-N -1 1 373.197 3.070 20 30 FGEDMM CC(C)(C#N)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000786278271 724970948 /nfs/dbraw/zinc/97/09/48/724970948.db2.gz ZVKSVIWUSFVMFX-NSHDSACASA-N -1 1 354.435 3.392 20 30 FGEDMM C#C[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(F)cc1 ZINC000842413088 730497251 /nfs/dbraw/zinc/49/72/51/730497251.db2.gz RLDQFIRNRMYVAP-OAHLLOKOSA-N -1 1 360.410 3.202 20 30 FGEDMM COc1cc(C(=O)/C=C/c2c(C(F)(F)F)cnn2C)cc(OC)c1[O-] ZINC000849248933 731237881 /nfs/dbraw/zinc/23/78/81/731237881.db2.gz ARTIMOPMNILGEX-SNAWJCMRSA-N -1 1 356.300 3.058 20 30 FGEDMM C#CC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000849344073 731250895 /nfs/dbraw/zinc/25/08/95/731250895.db2.gz AXMXAEGJXGNXDO-XHDPSFHLSA-N -1 1 354.219 3.449 20 30 FGEDMM CC(C)(C)OC(=O)Nc1cc(C#N)ccc1[N-]S(=O)(=O)CCCCF ZINC000863447303 732964705 /nfs/dbraw/zinc/96/47/05/732964705.db2.gz JRQKFIQBHMDPNM-UHFFFAOYSA-N -1 1 371.434 3.397 20 30 FGEDMM C=CCOc1c(Cl)cc(CN2CCSC[C@H](C(=O)[O-])C2)cc1OC ZINC000901891029 743668898 /nfs/dbraw/zinc/66/88/98/743668898.db2.gz QAQMCAJXOBTWKV-CYBMUJFWSA-N -1 1 371.886 3.163 20 30 FGEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2sccc2C)C1=O ZINC000906485534 744136389 /nfs/dbraw/zinc/13/63/89/744136389.db2.gz IXWKNNIEKVOCNL-KRWDZBQOSA-N -1 1 351.472 3.372 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cn2ccccc2n1 ZINC000918711455 758357213 /nfs/dbraw/zinc/35/72/13/758357213.db2.gz NLNKUNXHFRGHLK-UHFFFAOYSA-N -1 1 366.475 3.389 20 30 FGEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000033165787 494048822 /nfs/dbraw/zinc/04/88/22/494048822.db2.gz MCAWPDPMDYQPJX-UHFFFAOYSA-N -1 1 362.451 3.189 20 30 FGEDMM C=CCOc1cccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000064312726 494112489 /nfs/dbraw/zinc/11/24/89/494112489.db2.gz AXROJLZSDRKBHN-UHFFFAOYSA-N -1 1 360.435 3.184 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c1 ZINC000055585327 494366779 /nfs/dbraw/zinc/36/67/79/494366779.db2.gz PUYFXIKGSHSNMK-UHFFFAOYSA-N -1 1 369.446 3.193 20 30 FGEDMM CCn1c(=S)[n-]nc1C1CCN(c2snc(Cl)c2C#N)CC1 ZINC000092652574 494698176 /nfs/dbraw/zinc/69/81/76/494698176.db2.gz DKNKMGJSCQFSKE-UHFFFAOYSA-N -1 1 354.892 3.326 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000116861425 494863445 /nfs/dbraw/zinc/86/34/45/494863445.db2.gz SIWVSSDPMPBMGQ-HNNXBMFYSA-N -1 1 358.463 3.490 20 30 FGEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673625 495407262 /nfs/dbraw/zinc/40/72/62/495407262.db2.gz VXLWMXUOKXMSMN-UHFFFAOYSA-N -1 1 357.435 3.406 20 30 FGEDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000131032112 495482534 /nfs/dbraw/zinc/48/25/34/495482534.db2.gz XSRIERCAIPBBEC-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC ZINC000121058952 495515299 /nfs/dbraw/zinc/51/52/99/495515299.db2.gz CSAIABGUYJQGFM-UHFFFAOYSA-N -1 1 366.826 3.420 20 30 FGEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000180179309 495893285 /nfs/dbraw/zinc/89/32/85/495893285.db2.gz RLSJHUJYEZKCPW-UHFFFAOYSA-N -1 1 363.826 3.361 20 30 FGEDMM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000161155536 496115805 /nfs/dbraw/zinc/11/58/05/496115805.db2.gz DRRBAFIKYMIKML-UHFFFAOYSA-N -1 1 364.854 3.447 20 30 FGEDMM CN1c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)c3cccc(c23)C1=O ZINC000156263753 496201708 /nfs/dbraw/zinc/20/17/08/496201708.db2.gz OLGIOSWEMXNOCN-UHFFFAOYSA-N -1 1 363.398 3.102 20 30 FGEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000172592067 496356434 /nfs/dbraw/zinc/35/64/34/496356434.db2.gz FFGGZERCTLWFKB-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM COc1ccc(C#N)cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000157448555 496478757 /nfs/dbraw/zinc/47/87/57/496478757.db2.gz BODBLTAIWQPZPC-UHFFFAOYSA-N -1 1 350.418 3.367 20 30 FGEDMM C=CCCOCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000163411027 496513324 /nfs/dbraw/zinc/51/33/24/496513324.db2.gz JVHSOOXTUTWUFP-UHFFFAOYSA-N -1 1 357.781 3.230 20 30 FGEDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N(CCC#N)c1ccccc1 ZINC000188149870 496702358 /nfs/dbraw/zinc/70/23/58/496702358.db2.gz AEAGYSYASREQLJ-CYBMUJFWSA-N -1 1 368.462 3.487 20 30 FGEDMM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188392819 496774565 /nfs/dbraw/zinc/77/45/65/496774565.db2.gz ZPSGYXRNEPGKGU-UHFFFAOYSA-N -1 1 371.824 3.408 20 30 FGEDMM CCC(CC)CN(CCC#N)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000264095174 496810824 /nfs/dbraw/zinc/81/08/24/496810824.db2.gz ABTASPNWPFLBKO-UHFFFAOYSA-N -1 1 364.515 3.324 20 30 FGEDMM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000572020492 505871190 /nfs/dbraw/zinc/87/11/90/505871190.db2.gz HTNQDRCBZPHDIX-UHFFFAOYSA-N -1 1 365.270 3.464 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CC#N)c2)c1 ZINC000194671359 497735022 /nfs/dbraw/zinc/73/50/22/497735022.db2.gz CISKQJFLILOUJP-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCCC#N)c2)c1 ZINC000273046230 497790169 /nfs/dbraw/zinc/79/01/69/497790169.db2.gz BPRWDXXZANLDBF-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM C=CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000281049713 498000840 /nfs/dbraw/zinc/00/08/40/498000840.db2.gz QHVBEDQBYNZREF-LIRRHRJNSA-N -1 1 360.479 3.090 20 30 FGEDMM CC(C)(C)c1csc([C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)CCO2)n1 ZINC000332376099 498667668 /nfs/dbraw/zinc/66/76/68/498667668.db2.gz VZKRMUSQYFDDOS-OAHLLOKOSA-N -1 1 371.462 3.232 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(=O)OC(C)C ZINC000576187480 506097031 /nfs/dbraw/zinc/09/70/31/506097031.db2.gz UBEZXMOSZUPJRL-UHFFFAOYSA-N -1 1 372.446 3.427 20 30 FGEDMM Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc([O-])c(Cl)c3)C2)n1 ZINC000370047238 499171098 /nfs/dbraw/zinc/17/10/98/499171098.db2.gz WOHZUOKRAFIGOK-CQSZACIVSA-N -1 1 370.840 3.476 20 30 FGEDMM C#Cc1cccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000368795631 499333499 /nfs/dbraw/zinc/33/34/99/499333499.db2.gz RDYUYJGKFCELMP-UHFFFAOYSA-N -1 1 358.401 3.105 20 30 FGEDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410328536 499655140 /nfs/dbraw/zinc/65/51/40/499655140.db2.gz OCKQKRYCRMSXBR-UHFFFAOYSA-N -1 1 372.372 3.444 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1[O-] ZINC000425318780 500073105 /nfs/dbraw/zinc/07/31/05/500073105.db2.gz PFVABJXZTPGNHJ-UHFFFAOYSA-N -1 1 360.417 3.235 20 30 FGEDMM COc1ccccc1[C@H](NCc1cccc(OCCCC#N)c1)C(=O)[O-] ZINC000426811396 500323699 /nfs/dbraw/zinc/32/36/99/500323699.db2.gz MONPEQJEIHUHLZ-IBGZPJMESA-N -1 1 354.406 3.293 20 30 FGEDMM CCc1[n-][nH]c(=NC(=O)c2cccc(SCC#N)c2)c1Br ZINC000426892768 500333991 /nfs/dbraw/zinc/33/39/91/500333991.db2.gz ARFICEPOXZYUFG-UHFFFAOYSA-N -1 1 365.256 3.024 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431631275 500400936 /nfs/dbraw/zinc/40/09/36/500400936.db2.gz BUZJEWKNQKXEEI-AWEZNQCLSA-N -1 1 356.781 3.496 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc2cccnc21 ZINC000427631225 500413621 /nfs/dbraw/zinc/41/36/21/500413621.db2.gz XPCNOYVHTBSMCG-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432759108 500559133 /nfs/dbraw/zinc/55/91/33/500559133.db2.gz QNSNYOWVFUGTAV-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)cc1[O-] ZINC000442871000 500637419 /nfs/dbraw/zinc/63/74/19/500637419.db2.gz LFIPESHDBGOKHL-UHFFFAOYSA-N -1 1 371.396 3.446 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[O-] ZINC000442872944 500637939 /nfs/dbraw/zinc/63/79/39/500637939.db2.gz OGOIUKMLSYXYSM-HXUWFJFHSA-N -1 1 371.396 3.374 20 30 FGEDMM N#Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[O-] ZINC000443286411 500704481 /nfs/dbraw/zinc/70/44/81/500704481.db2.gz STOFLTWDSXSCAZ-UHFFFAOYSA-N -1 1 357.167 3.155 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC000443419871 500722132 /nfs/dbraw/zinc/72/21/32/500722132.db2.gz RSFNKDNIMTWEBR-UHFFFAOYSA-N -1 1 374.315 3.439 20 30 FGEDMM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448394882 500757598 /nfs/dbraw/zinc/75/75/98/500757598.db2.gz GOMWWPRKULUBQT-UHFFFAOYSA-N -1 1 365.320 3.391 20 30 FGEDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000443934657 500779682 /nfs/dbraw/zinc/77/96/82/500779682.db2.gz JOLRDTNTABCPSQ-PRHODGIISA-N -1 1 354.781 3.467 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000439249226 500874452 /nfs/dbraw/zinc/87/44/52/500874452.db2.gz RGPCCDWRWVSKFG-UHFFFAOYSA-N -1 1 355.341 3.420 20 30 FGEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000435600116 501000035 /nfs/dbraw/zinc/00/00/35/501000035.db2.gz YLXOQAWMDIEXGG-LDYMZIIASA-N -1 1 356.296 3.314 20 30 FGEDMM C=CCOCc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436756953 501205640 /nfs/dbraw/zinc/20/56/40/501205640.db2.gz TVENYJHCFZZJAO-UHFFFAOYSA-N -1 1 355.188 3.306 20 30 FGEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000436788471 501211361 /nfs/dbraw/zinc/21/13/61/501211361.db2.gz ZONIIOPEMRNKQM-UHFFFAOYSA-N -1 1 353.378 3.262 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)s1 ZINC000451722762 501360152 /nfs/dbraw/zinc/36/01/52/501360152.db2.gz VKRWBXWMQGHXOG-ONGXEEELSA-N -1 1 352.403 3.409 20 30 FGEDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000464361540 501966857 /nfs/dbraw/zinc/96/68/57/501966857.db2.gz OEJHICALPZJVJK-LURJTMIESA-N -1 1 353.259 3.464 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000478793174 502087403 /nfs/dbraw/zinc/08/74/03/502087403.db2.gz BZESJAZIMWGBAP-INIZCTEOSA-N -1 1 371.462 3.136 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479235716 502201103 /nfs/dbraw/zinc/20/11/03/502201103.db2.gz HBQALILRUPAHSO-UHFFFAOYSA-N -1 1 373.434 3.218 20 30 FGEDMM COc1cccc(-c2nsc(NC([O-])=C(C)c3cccc(C#N)c3)n2)c1 ZINC000462019791 502276799 /nfs/dbraw/zinc/27/67/99/502276799.db2.gz DOUUVHKHDVDENW-LBPRGKRZSA-N -1 1 364.430 3.249 20 30 FGEDMM CC#CCCCC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000469191424 502331384 /nfs/dbraw/zinc/33/13/84/502331384.db2.gz RTOZUBHHLUCWNF-UHFFFAOYSA-N -1 1 352.257 3.455 20 30 FGEDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2o1 ZINC000513400785 502927532 /nfs/dbraw/zinc/92/75/32/502927532.db2.gz CWCZZJYETJKRSG-UHFFFAOYSA-N -1 1 370.386 3.200 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(Cl)c2)n1 ZINC000497421009 502956210 /nfs/dbraw/zinc/95/62/10/502956210.db2.gz ZVGOFEAOCQUTIM-JTQLQIEISA-N -1 1 364.810 3.472 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(Cl)c2)n1 ZINC000497421010 502956338 /nfs/dbraw/zinc/95/63/38/502956338.db2.gz ZVGOFEAOCQUTIM-SNVBAGLBSA-N -1 1 364.810 3.472 20 30 FGEDMM N#Cc1cccc(-c2csc(NC(=O)c3csc(=NC4CC4)[n-]3)n2)c1 ZINC000506216389 503071335 /nfs/dbraw/zinc/07/13/35/503071335.db2.gz SZAAVGDDHWSART-UHFFFAOYSA-N -1 1 367.459 3.387 20 30 FGEDMM N#Cc1ccc(CSC=C([O-])Nc2nc(-c3ccccc3)ns2)cc1 ZINC000515707175 503387969 /nfs/dbraw/zinc/38/79/69/503387969.db2.gz MQGNORVIZOTZQH-UHFFFAOYSA-N -1 1 366.471 3.371 20 30 FGEDMM C=CCOc1cccnc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000537153618 503820108 /nfs/dbraw/zinc/82/01/08/503820108.db2.gz PEMDXZXTORTXHP-UHFFFAOYSA-N -1 1 360.826 3.426 20 30 FGEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000517783640 503835818 /nfs/dbraw/zinc/83/58/18/503835818.db2.gz UHNBDFGTJOIYJC-UHFFFAOYSA-N -1 1 373.359 3.057 20 30 FGEDMM COc1cccc2c(C(=O)Nc3nc(C)c(SCC#N)s3)n[nH]c21 ZINC000519726428 504317502 /nfs/dbraw/zinc/31/75/02/504317502.db2.gz RDJVADKRJUWFSJ-UHFFFAOYSA-N -1 1 359.436 3.204 20 30 FGEDMM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1C(=O)[O-] ZINC000548532541 504478335 /nfs/dbraw/zinc/47/83/35/504478335.db2.gz ACYIPOYHHXKJTR-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540038172 504763817 /nfs/dbraw/zinc/76/38/17/504763817.db2.gz VUYMWWYVWMXKNS-UHFFFAOYSA-N -1 1 357.435 3.116 20 30 FGEDMM O=c1[n-]nc([C@H]2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000559762357 504924082 /nfs/dbraw/zinc/92/40/82/504924082.db2.gz KKXPNIPETCNLCW-ZDUSSCGKSA-N -1 1 351.328 3.025 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000593199204 506458868 /nfs/dbraw/zinc/45/88/68/506458868.db2.gz GXNZYUDYCLAYSP-UHFFFAOYSA-N -1 1 369.446 3.173 20 30 FGEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)OCO2 ZINC000593209611 506467797 /nfs/dbraw/zinc/46/77/97/506467797.db2.gz CXYUTCZTPYNYLC-UHFFFAOYSA-N -1 1 358.419 3.326 20 30 FGEDMM COC(=O)c1sc2ccccc2c1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589177718 506471015 /nfs/dbraw/zinc/47/10/15/506471015.db2.gz MPTBMLBARKMION-UHFFFAOYSA-N -1 1 366.398 3.195 20 30 FGEDMM CCOC(=O)Cn1ccc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc21 ZINC000589174471 506471648 /nfs/dbraw/zinc/47/16/48/506471648.db2.gz UOBOAUSBUVTPJM-UHFFFAOYSA-N -1 1 363.373 3.034 20 30 FGEDMM COC(=O)CCSCc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589177692 506471836 /nfs/dbraw/zinc/47/18/36/506471836.db2.gz KPASAVJXVGBCTE-UHFFFAOYSA-N -1 1 370.430 3.312 20 30 FGEDMM C[C@@H]1CN(Cc2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)C[C@@H](C)O1 ZINC000589183369 506472747 /nfs/dbraw/zinc/47/27/47/506472747.db2.gz CZBXFGCGLJJQNV-HUUCEWRRSA-N -1 1 365.433 3.125 20 30 FGEDMM COc1ccc(C[C@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000589184489 506474131 /nfs/dbraw/zinc/47/41/31/506474131.db2.gz SVABWBROHAKTLP-MRXNPFEDSA-N -1 1 350.418 3.367 20 30 FGEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC000589189323 506475290 /nfs/dbraw/zinc/47/52/90/506475290.db2.gz QKFGHNQDBLXUSC-LJQANCHMSA-N -1 1 366.417 3.060 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000589188087 506475809 /nfs/dbraw/zinc/47/58/09/506475809.db2.gz RHXVEGPNSIDLJR-HXUWFJFHSA-N -1 1 350.418 3.128 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000593665210 506718665 /nfs/dbraw/zinc/71/86/65/506718665.db2.gz CYTUIELKUJXFJW-UHFFFAOYSA-N -1 1 356.325 3.138 20 30 FGEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1)C(C)=O ZINC000610123752 507106553 /nfs/dbraw/zinc/10/65/53/507106553.db2.gz VTWXOUKDVXFGQL-UHFFFAOYSA-N -1 1 371.462 3.036 20 30 FGEDMM C[C@H](C#N)N(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CC1 ZINC000598135458 507273264 /nfs/dbraw/zinc/27/32/64/507273264.db2.gz WIEVIQKCBVWCOY-SECBINFHSA-N -1 1 360.211 3.220 20 30 FGEDMM C=CCCSCC[N-]S(=O)(=O)c1sccc1Br ZINC000594815586 507289089 /nfs/dbraw/zinc/28/90/89/507289089.db2.gz XPWYRHZEZWFPTR-UHFFFAOYSA-N -1 1 356.332 3.098 20 30 FGEDMM C[C@@]1(C#N)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000598420312 507417150 /nfs/dbraw/zinc/41/71/50/507417150.db2.gz NNGUMOUGGXXNNI-INIZCTEOSA-N -1 1 360.211 3.079 20 30 FGEDMM COc1ccc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000614294160 507444728 /nfs/dbraw/zinc/44/47/28/507444728.db2.gz VDDKVWAWLPSLRL-GOSISDBHSA-N -1 1 352.390 3.258 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(OC(C)C)c1 ZINC000601979054 507536149 /nfs/dbraw/zinc/53/61/49/507536149.db2.gz BWZCJSSGFKRWJD-NSHDSACASA-N -1 1 361.261 3.280 20 30 FGEDMM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000330294225 568158942 /nfs/dbraw/zinc/15/89/42/568158942.db2.gz FDFBONAWKVWAFD-YPMHNXCESA-N -1 1 350.488 3.368 20 30 FGEDMM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2csc(=NC3CC3)[n-]2)C1 ZINC000330294225 568158943 /nfs/dbraw/zinc/15/89/43/568158943.db2.gz FDFBONAWKVWAFD-YPMHNXCESA-N -1 1 350.488 3.368 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3cc(C#N)ccc32)o1 ZINC000820198111 599336329 /nfs/dbraw/zinc/33/63/29/599336329.db2.gz QMPPVYPDHNFNJQ-UHFFFAOYSA-N -1 1 362.397 3.002 20 30 FGEDMM CCOc1ccc(Cl)cc1C(C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736644119 599368307 /nfs/dbraw/zinc/36/83/07/599368307.db2.gz DVFBBINJHWWGDI-UHFFFAOYSA-N -1 1 361.793 3.051 20 30 FGEDMM C#CCOc1ccccc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819710204 599557072 /nfs/dbraw/zinc/55/70/72/599557072.db2.gz ZFYOVKQWBSTRBL-UHFFFAOYSA-N -1 1 356.389 3.039 20 30 FGEDMM C#CCOc1ccccc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819710204 599557073 /nfs/dbraw/zinc/55/70/73/599557073.db2.gz ZFYOVKQWBSTRBL-UHFFFAOYSA-N -1 1 356.389 3.039 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(-c3ccncc3)cc2)o1 ZINC000819782009 599663792 /nfs/dbraw/zinc/66/37/92/599663792.db2.gz HIQNNVWIGLUAAK-UHFFFAOYSA-N -1 1 360.381 3.061 20 30 FGEDMM N#CC(C(=O)c1cccc(OCC(=O)[O-])c1)c1nc2cc(F)ccc2s1 ZINC000739074970 600127373 /nfs/dbraw/zinc/12/73/73/600127373.db2.gz OFBGJPSCYKGJAJ-ZDUSSCGKSA-N -1 1 370.361 3.389 20 30 FGEDMM CCOc1cc2c(cc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1)O[C@@H](C)C2 ZINC000830053935 601298207 /nfs/dbraw/zinc/29/82/07/601298207.db2.gz FLXPAMIPTAMSLA-RBZFPXEDSA-N -1 1 366.417 3.196 20 30 FGEDMM CCN(CC1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1)C(=O)[O-] ZINC000827099079 603600537 /nfs/dbraw/zinc/60/05/37/603600537.db2.gz KYESAZKEKKWXAI-UHFFFAOYSA-N -1 1 367.453 3.091 20 30 FGEDMM N#CC(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000831064308 604224789 /nfs/dbraw/zinc/22/47/89/604224789.db2.gz FJUKALHJDHIJSA-GMTAPVOTSA-N -1 1 362.336 3.044 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)[nH]c21 ZINC000830531004 604417277 /nfs/dbraw/zinc/41/72/77/604417277.db2.gz AAAVFQCNNXIBSA-SOUVJXGZSA-N -1 1 368.437 3.464 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(Cl)c2F)o1 ZINC000820108255 607110613 /nfs/dbraw/zinc/11/06/13/607110613.db2.gz HMSMSPYERPOWRH-UHFFFAOYSA-N -1 1 363.784 3.292 20 30 FGEDMM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824034661 608093597 /nfs/dbraw/zinc/09/35/97/608093597.db2.gz MPBLWWOWEDLJEG-MEQVVJDKSA-N -1 1 351.391 3.115 20 30 FGEDMM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824034661 608093598 /nfs/dbraw/zinc/09/35/98/608093598.db2.gz MPBLWWOWEDLJEG-MEQVVJDKSA-N -1 1 351.391 3.115 20 30 FGEDMM O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(-c2nn[n-]n2)s1 ZINC000826400425 608093869 /nfs/dbraw/zinc/09/38/69/608093869.db2.gz YVIHGVMSYYUJDE-OWOJBTEDSA-N -1 1 362.827 3.187 20 30 FGEDMM C[C@@H]1CN(C(C)(C)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)O1 ZINC000011115369 695596858 /nfs/dbraw/zinc/59/68/58/695596858.db2.gz FBHUYXKZPKDSMX-QSQGAHGBSA-N -1 1 369.849 3.261 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C#N)cc2)c1C ZINC000023417294 695661914 /nfs/dbraw/zinc/66/19/14/695661914.db2.gz BOLCIDRVFJTVPD-ZDUSSCGKSA-N -1 1 358.419 3.173 20 30 FGEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000036682857 695753019 /nfs/dbraw/zinc/75/30/19/695753019.db2.gz VVAPKIRNHORDCJ-UHFFFAOYSA-N -1 1 367.224 3.152 20 30 FGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C#N)cc1 ZINC000046804333 695846882 /nfs/dbraw/zinc/84/68/82/695846882.db2.gz SXYPQLLJFIGXNI-GFCCVEGCSA-N -1 1 362.382 3.004 20 30 FGEDMM C#CCCCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000092600075 700438079 /nfs/dbraw/zinc/43/80/79/700438079.db2.gz IRKPZGIRGCDFAC-UHFFFAOYSA-N -1 1 358.316 3.036 20 30 FGEDMM CC(C)CCN(CCC#N)C(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000103440366 700484777 /nfs/dbraw/zinc/48/47/77/700484777.db2.gz BQLVPUNMFSPQRF-UHFFFAOYSA-N -1 1 363.512 3.458 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccc(F)cc3)n2)c(=O)o1 ZINC000120055291 700646799 /nfs/dbraw/zinc/64/67/99/700646799.db2.gz NZNWRXNMCDQILH-FYCOFBDGSA-N -1 1 357.362 3.177 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000619461160 714838290 /nfs/dbraw/zinc/83/82/90/714838290.db2.gz KUFOYUYJHKNBIM-UHFFFAOYSA-N -1 1 351.225 3.316 20 30 FGEDMM O=C(/C=C\c1cn(-c2ccc(F)c(Cl)c2)nn1)c1cc(O)ccc1[O-] ZINC000782889777 724706926 /nfs/dbraw/zinc/70/69/26/724706926.db2.gz MNXSBNOQARWVHZ-KTAJNNJTSA-N -1 1 359.744 3.367 20 30 FGEDMM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360392 722467749 /nfs/dbraw/zinc/46/77/49/722467749.db2.gz UIRARAILPZOIJY-SNVBAGLBSA-N -1 1 358.221 3.445 20 30 FGEDMM C#CCOc1ccccc1CNC(=O)c1cc(Br)ccc1[O-] ZINC000734104321 722504284 /nfs/dbraw/zinc/50/42/84/722504284.db2.gz MVUHFSQIAAHBPG-UHFFFAOYSA-N -1 1 360.207 3.097 20 30 FGEDMM C=C(Cl)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000736688963 722524194 /nfs/dbraw/zinc/52/41/94/722524194.db2.gz NVYDZRBJZDXQLW-MRXNPFEDSA-N -1 1 358.825 3.019 20 30 FGEDMM Cc1ccc(CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C2CC2)cc1 ZINC000741848115 722549615 /nfs/dbraw/zinc/54/96/15/722549615.db2.gz QZMSCHYWWRWYAC-UHFFFAOYSA-N -1 1 353.447 3.042 20 30 FGEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NO)ccc2C)cc1 ZINC000742824086 722560356 /nfs/dbraw/zinc/56/03/56/722560356.db2.gz OAEIVDLZLRNRQH-UHFFFAOYSA-N -1 1 362.451 3.257 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cccc(Cl)c1Cl ZINC000748255499 722682136 /nfs/dbraw/zinc/68/21/36/722682136.db2.gz WQXNGSNSDUEDPJ-UHFFFAOYSA-N -1 1 374.205 3.214 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C#N ZINC000751548975 722812829 /nfs/dbraw/zinc/81/28/29/722812829.db2.gz ULZMSFREJLAPEF-UHFFFAOYSA-N -1 1 363.370 3.067 20 30 FGEDMM C=CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000761060919 723118911 /nfs/dbraw/zinc/11/89/11/723118911.db2.gz RYYBNAUXRKYBQO-UHFFFAOYSA-N -1 1 361.419 3.147 20 30 FGEDMM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)ccc21 ZINC000762575332 723257244 /nfs/dbraw/zinc/25/72/44/723257244.db2.gz WMGPXKFKMBKDEN-UHFFFAOYSA-N -1 1 361.854 3.395 20 30 FGEDMM CC(CCc1ccc(Cl)s1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769809287 723696587 /nfs/dbraw/zinc/69/65/87/723696587.db2.gz ULRKBTRMAVYCIO-UHFFFAOYSA-N -1 1 350.835 3.204 20 30 FGEDMM C#Cc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)cn1 ZINC000771228568 723730714 /nfs/dbraw/zinc/73/07/14/723730714.db2.gz KBRSQBUNJMHJNM-UHFFFAOYSA-N -1 1 372.178 3.257 20 30 FGEDMM CC(=NNc1ccccc1S(N)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000773124995 723777170 /nfs/dbraw/zinc/77/71/70/723777170.db2.gz KROOIANIJLEORS-UHFFFAOYSA-N -1 1 374.249 3.183 20 30 FGEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000797816977 723865763 /nfs/dbraw/zinc/86/57/63/723865763.db2.gz MURUJYVGTBTYDR-UHFFFAOYSA-N -1 1 359.407 3.040 20 30 FGEDMM N#CCOc1ccc(COC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000778828178 724366042 /nfs/dbraw/zinc/36/60/42/724366042.db2.gz WENCLTJGPNQDNN-UHFFFAOYSA-N -1 1 362.179 3.414 20 30 FGEDMM C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805260492 725059950 /nfs/dbraw/zinc/05/99/50/725059950.db2.gz IHTCOCZOSYMXDA-XUXIUFHCSA-N -1 1 363.424 3.218 20 30 FGEDMM COc1cc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1Cl ZINC000788471839 725066214 /nfs/dbraw/zinc/06/62/14/725066214.db2.gz IGSZRNBDUPWAQL-UHFFFAOYSA-N -1 1 351.746 3.417 20 30 FGEDMM CC(C)(CCC#N)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000807591107 725164018 /nfs/dbraw/zinc/16/40/18/725164018.db2.gz DELASJSHMVUTNF-UHFFFAOYSA-N -1 1 354.248 3.284 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c1 ZINC000811684201 725376738 /nfs/dbraw/zinc/37/67/38/725376738.db2.gz ATHSTLSOWOSIDN-UHFFFAOYSA-N -1 1 365.838 3.299 20 30 FGEDMM CCCCCCCCCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000812363062 725395162 /nfs/dbraw/zinc/39/51/62/725395162.db2.gz RYYOAQCJFPRDLJ-UHFFFAOYSA-N -1 1 356.488 3.380 20 30 FGEDMM COc1nc2sccn2c1C=N[N-]c1nnc(-c2ccccc2)s1 ZINC000814946909 727013755 /nfs/dbraw/zinc/01/37/55/727013755.db2.gz SXPVMNNIGFUMMX-UHFFFAOYSA-N -1 1 356.436 3.369 20 30 FGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OC2CCOCC2)s1 ZINC000819501580 727379796 /nfs/dbraw/zinc/37/97/96/727379796.db2.gz HHAAWIPEAUIVRT-UHFFFAOYSA-N -1 1 362.904 3.065 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1F ZINC000821173339 729065817 /nfs/dbraw/zinc/06/58/17/729065817.db2.gz OOFQQNKJWWMEHB-UHFFFAOYSA-N -1 1 351.746 3.293 20 30 FGEDMM CCC[C@@H](OC)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835041521 729852400 /nfs/dbraw/zinc/85/24/00/729852400.db2.gz XYSVEERQBRHJGD-NWDGAFQWSA-N -1 1 359.451 3.267 20 30 FGEDMM C#CCCCCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836739042 729967868 /nfs/dbraw/zinc/96/78/68/729967868.db2.gz SITSFWHYVUYQHG-UHFFFAOYSA-N -1 1 355.360 3.099 20 30 FGEDMM C#C[C@@H](CCC)NC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836746100 729968065 /nfs/dbraw/zinc/96/80/65/729968065.db2.gz ULPOOARJIFAZCM-ZDUSSCGKSA-N -1 1 355.360 3.097 20 30 FGEDMM CC(NNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)=C1CC1(F)F ZINC000841627935 730260531 /nfs/dbraw/zinc/26/05/31/730260531.db2.gz GWXOZYMNCIVTJZ-GFCCVEGCSA-N -1 1 372.422 3.387 20 30 FGEDMM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1nc(C2CC2)cs1 ZINC000842939442 730560346 /nfs/dbraw/zinc/56/03/46/730560346.db2.gz QKFNCBNUGZSULQ-CQSZACIVSA-N -1 1 353.403 3.467 20 30 FGEDMM C#C[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000848277250 731151282 /nfs/dbraw/zinc/15/12/82/731151282.db2.gz PBFPLPZGIZCGGK-LLVKDONJSA-N -1 1 359.223 3.188 20 30 FGEDMM COc1cc(C(=O)/C=C\c2cc(C(F)(F)F)nn2C)cc(OC)c1[O-] ZINC000853008290 731649100 /nfs/dbraw/zinc/64/91/00/731649100.db2.gz NJLKPPGJIZXDRE-PLNGDYQASA-N -1 1 356.300 3.058 20 30 FGEDMM CC(C)CN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000864094478 733026209 /nfs/dbraw/zinc/02/62/09/733026209.db2.gz IKPROKRQDODHGJ-UHFFFAOYSA-N -1 1 362.411 3.449 20 30 FGEDMM N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000864238320 733045635 /nfs/dbraw/zinc/04/56/35/733045635.db2.gz ILQDOGJOBOHIAC-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM Cc1sc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)nc1C(=O)[O-] ZINC000900075073 743058998 /nfs/dbraw/zinc/05/89/98/743058998.db2.gz JNDMYVZRGONITM-LBPRGKRZSA-N -1 1 358.467 3.350 20 30 FGEDMM C#CCOc1ccccc1CN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000901931308 743680372 /nfs/dbraw/zinc/68/03/72/743680372.db2.gz LSHATNPTJAEZSD-UHFFFAOYSA-N -1 1 356.447 3.233 20 30 FGEDMM C=CCCC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124233 744342716 /nfs/dbraw/zinc/34/27/16/744342716.db2.gz RKRIPVCKJZPZGG-HOTGVXAUSA-N -1 1 367.877 3.051 20 30 FGEDMM CCCCC1N=NC(=S)N1N=Cc1cccc(Br)c1[O-] ZINC000915943719 758007781 /nfs/dbraw/zinc/00/77/81/758007781.db2.gz JKICAIVGOKRZIY-UHFFFAOYSA-N -1 1 355.261 3.260 20 30 FGEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(CCC#N)cc2)c(=O)[n-]1 ZINC000928403260 760184416 /nfs/dbraw/zinc/18/44/16/760184416.db2.gz NWUAVHIQFUAXPA-UHFFFAOYSA-N -1 1 356.451 3.240 20 30 FGEDMM N#Cc1csc(C(=O)N2CCC[C@@H](c3n[n-]c(=S)n3C3CC3)C2)c1 ZINC000084297350 494062134 /nfs/dbraw/zinc/06/21/34/494062134.db2.gz VCMLRXLMZSKSAS-LLVKDONJSA-N -1 1 359.480 3.229 20 30 FGEDMM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2NC1=O ZINC000041497822 494165189 /nfs/dbraw/zinc/16/51/89/494165189.db2.gz FSROKNZTWJLRNY-PWSUYJOCSA-N -1 1 362.414 3.486 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N)C1CC1 ZINC000568511552 505712822 /nfs/dbraw/zinc/71/28/22/505712822.db2.gz OWOYZBAFJPMMHN-SWLSCSKDSA-N -1 1 354.497 3.248 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1Cl ZINC000075082032 494684184 /nfs/dbraw/zinc/68/41/84/494684184.db2.gz WDRWXTVWFXPVQS-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000026254668 494812015 /nfs/dbraw/zinc/81/20/15/494812015.db2.gz LVSQJXPXASUIJI-SSDOTTSWSA-N -1 1 373.722 3.118 20 30 FGEDMM C=CC[C@@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000117043619 494886647 /nfs/dbraw/zinc/88/66/47/494886647.db2.gz DGGHXJDJYWOERR-OAHLLOKOSA-N -1 1 373.478 3.251 20 30 FGEDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C2CC2)n1 ZINC000122273963 494950337 /nfs/dbraw/zinc/95/03/37/494950337.db2.gz AGIUXFVQCUKROM-AWEZNQCLSA-N -1 1 367.883 3.406 20 30 FGEDMM Cc1ccc(NC(=O)C2(C#N)CCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000134601262 495174145 /nfs/dbraw/zinc/17/41/45/495174145.db2.gz NABRYXXYVYMWEF-UHFFFAOYSA-N -1 1 369.446 3.428 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000103155366 495199530 /nfs/dbraw/zinc/19/95/30/495199530.db2.gz WPILDJXJIJDYOA-AWEZNQCLSA-N -1 1 358.316 3.279 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(C2CCCCC2)no1 ZINC000123909488 495205379 /nfs/dbraw/zinc/20/53/79/495205379.db2.gz DPTARSQBXMMGMV-GFCCVEGCSA-N -1 1 360.439 3.028 20 30 FGEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)CCC1Cc2ccccc2C1 ZINC000574522747 505791921 /nfs/dbraw/zinc/79/19/21/505791921.db2.gz DRMLNCZTMOAHHF-UHFFFAOYSA-N -1 1 356.447 3.114 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000171004152 495684583 /nfs/dbraw/zinc/68/45/83/495684583.db2.gz ICRYBIUNSMTFTD-MRXNPFEDSA-N -1 1 371.462 3.136 20 30 FGEDMM C=C(C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000183049020 495813352 /nfs/dbraw/zinc/81/33/52/495813352.db2.gz VRKFVPSSVPAPJO-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM C=C(C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000183048620 495814019 /nfs/dbraw/zinc/81/40/19/495814019.db2.gz DADVXYZXBWIEPL-UHFFFAOYSA-N -1 1 362.426 3.275 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCCC#N)cc2)cc1 ZINC000171594740 495942331 /nfs/dbraw/zinc/94/23/31/495942331.db2.gz ZKPBUJHEIBIKHR-UHFFFAOYSA-N -1 1 371.462 3.220 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000183387005 495958210 /nfs/dbraw/zinc/95/82/10/495958210.db2.gz SLPXRWQKDHWZIC-UHFFFAOYSA-N -1 1 351.771 3.062 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1F ZINC000174713040 496073322 /nfs/dbraw/zinc/07/33/22/496073322.db2.gz ZNIYPBWRVDAQQE-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1 ZINC000172123615 496174781 /nfs/dbraw/zinc/17/47/81/496174781.db2.gz XAQWZPIHLJWOTF-SFHVURJKSA-N -1 1 372.446 3.225 20 30 FGEDMM COc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1C#N ZINC000178920555 496616215 /nfs/dbraw/zinc/61/62/15/496616215.db2.gz BNYMZZCOEFINBE-UHFFFAOYSA-N -1 1 357.435 3.237 20 30 FGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000153965080 496637450 /nfs/dbraw/zinc/63/74/50/496637450.db2.gz NLJLJROZQJFVLQ-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM COc1cc(Br)cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000169177638 496715048 /nfs/dbraw/zinc/71/50/48/496715048.db2.gz VZOGEBJPPQJOOM-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)cc1[O-] ZINC000188528586 496821593 /nfs/dbraw/zinc/82/15/93/496821593.db2.gz JYAYMVXMUACBFE-HNNXBMFYSA-N -1 1 355.825 3.316 20 30 FGEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000195170487 496840606 /nfs/dbraw/zinc/84/06/06/496840606.db2.gz FBSCLOHFQKDEHF-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188598452 496846407 /nfs/dbraw/zinc/84/64/07/496846407.db2.gz GRFXBFMUNVATJW-QUCCMNQESA-N -1 1 350.418 3.470 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2nccn2CCCc2ccccc2)cc1[O-] ZINC000188632504 496859619 /nfs/dbraw/zinc/85/96/19/496859619.db2.gz RTDHYSHNSKNBMP-UHFFFAOYSA-N -1 1 360.417 3.023 20 30 FGEDMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188745587 496894901 /nfs/dbraw/zinc/89/49/01/496894901.db2.gz GIILYBOYBXLRHZ-UHFFFAOYSA-N -1 1 350.296 3.435 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)cc1[O-] ZINC000189218328 497049169 /nfs/dbraw/zinc/04/91/69/497049169.db2.gz ORQKXWGQYHSPSC-UHFFFAOYSA-N -1 1 370.206 3.438 20 30 FGEDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000192545997 497146262 /nfs/dbraw/zinc/14/62/62/497146262.db2.gz NDAJOBPHGPVTMK-JTQLQIEISA-N -1 1 359.411 3.384 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1[O-] ZINC000190003818 497322169 /nfs/dbraw/zinc/32/21/69/497322169.db2.gz BOKGRNWBMXIUCE-UHFFFAOYSA-N -1 1 361.357 3.039 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000280041505 497628218 /nfs/dbraw/zinc/62/82/18/497628218.db2.gz XBLTZWIUFPRRFN-UHFFFAOYSA-N -1 1 356.447 3.480 20 30 FGEDMM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000191013311 497683214 /nfs/dbraw/zinc/68/32/14/497683214.db2.gz LZNDGZJEERAXOJ-LJQANCHMSA-N -1 1 366.417 3.094 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000329752582 497889009 /nfs/dbraw/zinc/88/90/09/497889009.db2.gz WHYHMFZORCFKGB-MELADBBJSA-N -1 1 366.483 3.495 20 30 FGEDMM CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N=c1cn[n-]s1 ZINC000330261568 498084605 /nfs/dbraw/zinc/08/46/05/498084605.db2.gz PFAOMTATHWZGEZ-OAHLLOKOSA-N -1 1 359.499 3.337 20 30 FGEDMM COc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000330597940 498157047 /nfs/dbraw/zinc/15/70/47/498157047.db2.gz DEQBWDTUTTUFGU-CHWSQXEVSA-N -1 1 369.487 3.219 20 30 FGEDMM CC1(C#N)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000332306489 498642730 /nfs/dbraw/zinc/64/27/30/498642730.db2.gz OHTQSBXBAZZQRO-UHFFFAOYSA-N -1 1 374.238 3.469 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)[C@@H]1C[C@H]1C ZINC000295186762 498936457 /nfs/dbraw/zinc/93/64/57/498936457.db2.gz KAFQZNNQOXQOBY-BFUOFWGJSA-N -1 1 369.446 3.120 20 30 FGEDMM N#C[C@@H]1N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC[C@@]12CCCCO2 ZINC000370627991 499237220 /nfs/dbraw/zinc/23/72/20/499237220.db2.gz UBTBBRIUWXFERF-RDJZCZTQSA-N -1 1 368.355 3.478 20 30 FGEDMM COc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cc(Cl)c1[O-] ZINC000408267865 499582556 /nfs/dbraw/zinc/58/25/56/499582556.db2.gz GKESZDVXMPHSOH-MAUKXSAKSA-N -1 1 364.829 3.122 20 30 FGEDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000443943894 500781250 /nfs/dbraw/zinc/78/12/50/500781250.db2.gz SLZVEEGFLJHWDG-PELKAZGASA-N -1 1 354.781 3.467 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1C#N ZINC000435143771 500937960 /nfs/dbraw/zinc/93/79/60/500937960.db2.gz VLDJQSRFJOXVSZ-UHFFFAOYSA-N -1 1 358.419 3.176 20 30 FGEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000435600114 500999519 /nfs/dbraw/zinc/99/95/19/500999519.db2.gz YLXOQAWMDIEXGG-KCJUWKMLSA-N -1 1 356.296 3.314 20 30 FGEDMM CSCc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000445740475 501027177 /nfs/dbraw/zinc/02/71/77/501027177.db2.gz HJWASYUTYXKGNJ-UHFFFAOYSA-N -1 1 368.430 3.178 20 30 FGEDMM N#Cc1ccc(Cc2cnc(NC(=O)C(=O)c3ccc([O-])cc3)s2)cc1 ZINC000436887955 501227601 /nfs/dbraw/zinc/22/76/01/501227601.db2.gz RXBKQXNDDHTOQC-UHFFFAOYSA-N -1 1 363.398 3.133 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)o1 ZINC000452088331 501432595 /nfs/dbraw/zinc/43/25/95/501432595.db2.gz NZERXCKYTNDWKZ-GXTWGEPZSA-N -1 1 350.827 3.419 20 30 FGEDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000464361541 501967159 /nfs/dbraw/zinc/96/71/59/501967159.db2.gz OEJHICALPZJVJK-ZCFIWIBFSA-N -1 1 353.259 3.464 20 30 FGEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc21 ZINC000475785684 502290894 /nfs/dbraw/zinc/29/08/94/502290894.db2.gz ADZLPCTYMJSCDA-UHFFFAOYSA-N -1 1 369.446 3.155 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000475791017 502293352 /nfs/dbraw/zinc/29/33/52/502293352.db2.gz LHWIQPREYXCMLH-UHFFFAOYSA-N -1 1 356.325 3.452 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000475805099 502296379 /nfs/dbraw/zinc/29/63/79/502296379.db2.gz ORPXWBLXBGYWCB-UHFFFAOYSA-N -1 1 363.826 3.165 20 30 FGEDMM N#CCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472585057 502391882 /nfs/dbraw/zinc/39/18/82/502391882.db2.gz FEWZQXPOORSASN-UHFFFAOYSA-N -1 1 372.071 3.338 20 30 FGEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc2cc(F)ccc2s1 ZINC000592974299 506317440 /nfs/dbraw/zinc/31/74/40/506317440.db2.gz PZRQXDNYCDSALN-ZDUSSCGKSA-N -1 1 368.393 3.094 20 30 FGEDMM N#CCCn1ccc(N=C([O-])Nc2ncc(Cc3ccccc3F)s2)n1 ZINC000496397064 502888382 /nfs/dbraw/zinc/88/83/82/502888382.db2.gz WCWZDXGVOGSEMX-UHFFFAOYSA-N -1 1 370.413 3.049 20 30 FGEDMM O=S(=O)([N-]CCCC(F)(F)F)c1cccc(OC(F)(F)F)c1F ZINC000489584254 502991690 /nfs/dbraw/zinc/99/16/90/502991690.db2.gz OBIXSEKKYDQHBM-UHFFFAOYSA-N -1 1 369.258 3.345 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1F ZINC000514769256 503188112 /nfs/dbraw/zinc/18/81/12/503188112.db2.gz GMZUGBUAJMRPKV-CQSZACIVSA-N -1 1 358.316 3.279 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000507922833 503396419 /nfs/dbraw/zinc/39/64/19/503396419.db2.gz RFAKMHJFQJAAKB-UHFFFAOYSA-N -1 1 357.435 3.114 20 30 FGEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000508145526 503441029 /nfs/dbraw/zinc/44/10/29/503441029.db2.gz ZDOVKVXBPIGEEG-GFCCVEGCSA-N -1 1 353.296 3.307 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([C@@H]3CCOC3)c2)n1 ZINC000534924277 504282749 /nfs/dbraw/zinc/28/27/49/504282749.db2.gz BTPJMBBRJBYTHM-HUUCEWRRSA-N -1 1 370.430 3.314 20 30 FGEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c(F)ccc([O-])c1F ZINC000539068326 504463423 /nfs/dbraw/zinc/46/34/23/504463423.db2.gz OWXKNFOCCCYEDB-UHFFFAOYSA-N -1 1 355.262 3.471 20 30 FGEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccccn1 ZINC000532633914 504717613 /nfs/dbraw/zinc/71/76/13/504717613.db2.gz MQVBOPILFUAXCE-UHFFFAOYSA-N -1 1 352.419 3.207 20 30 FGEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)CC1 ZINC000549568913 504852220 /nfs/dbraw/zinc/85/22/20/504852220.db2.gz CXYIJFVRTYLVHT-UHFFFAOYSA-N -1 1 370.055 3.090 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCC2)o1 ZINC000553479737 504926311 /nfs/dbraw/zinc/92/63/11/504926311.db2.gz LSFKDLORPOETOX-UHFFFAOYSA-N -1 1 350.827 3.205 20 30 FGEDMM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000554883606 505289122 /nfs/dbraw/zinc/28/91/22/505289122.db2.gz UTQQDFIXCNEAPG-UHFFFAOYSA-N -1 1 374.734 3.055 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc(OC)c1 ZINC000593188739 506453235 /nfs/dbraw/zinc/45/32/35/506453235.db2.gz OWWKDSWAUDZBMQ-UHFFFAOYSA-N -1 1 360.435 3.306 20 30 FGEDMM COc1cc2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2cc1OC ZINC000589164619 506466251 /nfs/dbraw/zinc/46/62/51/506466251.db2.gz XJSMWKZVBMYXCJ-UHFFFAOYSA-N -1 1 355.375 3.143 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000589172015 506469234 /nfs/dbraw/zinc/46/92/34/506469234.db2.gz NBZUJQPMVVLQDV-ZDUSSCGKSA-N -1 1 355.825 3.174 20 30 FGEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1NC(=O)c1ccncc1 ZINC000589172432 506469433 /nfs/dbraw/zinc/46/94/33/506469433.db2.gz NTKFWIKAMLTTPG-UHFFFAOYSA-N -1 1 372.384 3.472 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(OC3CCCCC3)nc2)c1 ZINC000589175175 506471125 /nfs/dbraw/zinc/47/11/25/506471125.db2.gz DZVOJDPTEIRSQT-UHFFFAOYSA-N -1 1 351.406 3.300 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2N(C)C[C@@H](C)C#N)cc1 ZINC000603273589 506474219 /nfs/dbraw/zinc/47/42/19/506474219.db2.gz CPLKADIXIRTSDL-AWEZNQCLSA-N -1 1 359.451 3.092 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(COCC(F)(F)F)c2)c1 ZINC000589194003 506477612 /nfs/dbraw/zinc/47/76/12/506477612.db2.gz OZDIWQAWRMWNMI-UHFFFAOYSA-N -1 1 364.323 3.273 20 30 FGEDMM Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589193974 506477814 /nfs/dbraw/zinc/47/78/14/506477814.db2.gz NFIVDWDZIAIGOZ-FQEVSTJZSA-N -1 1 360.417 3.249 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000589198316 506482072 /nfs/dbraw/zinc/48/20/72/506482072.db2.gz ZDCYPSPAFXGFNH-ZDUSSCGKSA-N -1 1 359.788 3.065 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(F)F ZINC000594462575 507143350 /nfs/dbraw/zinc/14/33/50/507143350.db2.gz NBPXWAUFKVFNBB-UHFFFAOYSA-N -1 1 368.409 3.491 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(OC(F)(F)F)c3)CC2)o1 ZINC000594481573 507148623 /nfs/dbraw/zinc/14/86/23/507148623.db2.gz RSNFOTZYABMFHQ-UHFFFAOYSA-N -1 1 372.324 3.017 20 30 FGEDMM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccc(C#N)c([O-])c2)CO1 ZINC000597933910 507183815 /nfs/dbraw/zinc/18/38/15/507183815.db2.gz DTJFZWKIJOLTTC-SFHVURJKSA-N -1 1 350.418 3.474 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591321235 507201500 /nfs/dbraw/zinc/20/15/00/507201500.db2.gz PEMNKGUTNVBVLF-MRXNPFEDSA-N -1 1 358.438 3.380 20 30 FGEDMM N#Cc1cccc(C2(NC(=O)c3cc(Cl)ccc3[O-])CCOCC2)c1 ZINC000598252357 507345596 /nfs/dbraw/zinc/34/55/96/507345596.db2.gz RPENEDUXDPAQHJ-UHFFFAOYSA-N -1 1 356.809 3.353 20 30 FGEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(I)c([O-])c1 ZINC000598422085 507417695 /nfs/dbraw/zinc/41/76/95/507417695.db2.gz VACPTDVGXVCRBQ-TXEJJXNPSA-N -1 1 369.202 3.320 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(N3CCCC3)c2)n1 ZINC000595241408 507436763 /nfs/dbraw/zinc/43/67/63/507436763.db2.gz XEHQTGAVJRVNMS-OAHLLOKOSA-N -1 1 369.446 3.410 20 30 FGEDMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614294184 507444264 /nfs/dbraw/zinc/44/42/64/507444264.db2.gz WSUOEYDRMHYLCC-SFHVURJKSA-N -1 1 352.390 3.258 20 30 FGEDMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614300667 507445998 /nfs/dbraw/zinc/44/59/98/507445998.db2.gz QVOIQTPDAIVYCM-XLIONFOSSA-N -1 1 350.418 3.470 20 30 FGEDMM C[C@@H]1CN(c2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)O1 ZINC000614364059 507478972 /nfs/dbraw/zinc/47/89/72/507478972.db2.gz TVFJEVMNBUJDBN-OKILXGFUSA-N -1 1 351.406 3.130 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000614370142 507482348 /nfs/dbraw/zinc/48/23/48/507482348.db2.gz OPXKTBGMRXLJHP-UHFFFAOYSA-N -1 1 358.357 3.163 20 30 FGEDMM CC[C@H](C#N)Oc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736309793 598870870 /nfs/dbraw/zinc/87/08/70/598870870.db2.gz RDCYNFOLLGEPBB-GFCCVEGCSA-N -1 1 369.816 3.208 20 30 FGEDMM CC[C@H](C#N)Oc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736309793 598870871 /nfs/dbraw/zinc/87/08/71/598870871.db2.gz RDCYNFOLLGEPBB-GFCCVEGCSA-N -1 1 369.816 3.208 20 30 FGEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1cccc(OC)c1 ZINC000736304427 598936306 /nfs/dbraw/zinc/93/63/06/598936306.db2.gz NALXANAZIZBROC-UHFFFAOYSA-N -1 1 355.402 3.213 20 30 FGEDMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCCCSCC#N)n1 ZINC000822191322 599690120 /nfs/dbraw/zinc/69/01/20/599690120.db2.gz IHUGTVHBQHQBFX-UHFFFAOYSA-N -1 1 374.417 3.328 20 30 FGEDMM C[C@H](C/N=C/c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000736586539 599762375 /nfs/dbraw/zinc/76/23/75/599762375.db2.gz NJEXPJCIKIJYEE-DXOCJUPFSA-N -1 1 365.021 3.057 20 30 FGEDMM C=CCc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)cc(OC)c1OC ZINC000825706008 600745141 /nfs/dbraw/zinc/74/51/41/600745141.db2.gz XFWIKFPBHHWPSR-SFHVURJKSA-N -1 1 359.397 3.487 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000827218913 601873189 /nfs/dbraw/zinc/87/31/89/601873189.db2.gz VDAUJFLWTKHUKG-WBMJQRKESA-N -1 1 363.483 3.108 20 30 FGEDMM CN(C(=O)CN(CCCC(=O)[O-])Cc1ccccc1)C1(C#N)CCCCC1 ZINC000830479101 604785955 /nfs/dbraw/zinc/78/59/55/604785955.db2.gz ZQAQJTVIZRURPN-UHFFFAOYSA-N -1 1 371.481 3.038 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H](C)C3CCN(C(=O)[O-])CC3)[nH]c21 ZINC000830532149 605081560 /nfs/dbraw/zinc/08/15/60/605081560.db2.gz MIXZSLQZENLWDX-UKRRQHHQSA-N -1 1 368.437 3.464 20 30 FGEDMM C[C@H]1Cc2ccccc2C1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820813209 606203781 /nfs/dbraw/zinc/20/37/81/606203781.db2.gz AWJVDHNKIRNLBQ-JTQLQIEISA-N -1 1 351.414 3.161 20 30 FGEDMM Clc1ccc(-c2noc(N=NCc3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000822573550 606370870 /nfs/dbraw/zinc/37/08/70/606370870.db2.gz AHXYKEGCGXDFSS-UHFFFAOYSA-N -1 1 372.801 3.078 20 30 FGEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)s3)sc2C1 ZINC000820734151 606488540 /nfs/dbraw/zinc/48/85/40/606488540.db2.gz LJRROFWOULWERK-MRVPVSSYSA-N -1 1 370.463 3.238 20 30 FGEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)s3)sc2C1 ZINC000820734151 606488541 /nfs/dbraw/zinc/48/85/41/606488541.db2.gz LJRROFWOULWERK-MRVPVSSYSA-N -1 1 370.463 3.238 20 30 FGEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000027636535 695695630 /nfs/dbraw/zinc/69/56/30/695695630.db2.gz NXTQPVIWRCPWRJ-UHFFFAOYSA-N -1 1 368.817 3.196 20 30 FGEDMM Cc1ccc(-c2ncc(C=CC(=O)c3c([O-])cc(C)oc3=O)s2)cc1 ZINC000114990954 700583137 /nfs/dbraw/zinc/58/31/37/700583137.db2.gz BYDPVTUZNVEGDS-OZSKJFCKSA-N -1 1 353.399 3.347 20 30 FGEDMM N#CC1(c2ccc(C(=O)Nc3nc(Br)ccc3[O-])cc2)CC1 ZINC000121546368 700675133 /nfs/dbraw/zinc/67/51/33/700675133.db2.gz UBURAKWUNUMXRM-UHFFFAOYSA-N -1 1 358.195 3.357 20 30 FGEDMM Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000174012395 705482467 /nfs/dbraw/zinc/48/24/67/705482467.db2.gz GJIBKSJVONOZKX-ZDUSSCGKSA-N -1 1 354.435 3.465 20 30 FGEDMM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000175106590 705533066 /nfs/dbraw/zinc/53/30/66/705533066.db2.gz OSYPKMROUKIPQK-JSGCOSHPSA-N -1 1 357.435 3.429 20 30 FGEDMM C#CCCCCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000180733173 705755371 /nfs/dbraw/zinc/75/53/71/705755371.db2.gz QDOVCHLZIJCHSB-CYBMUJFWSA-N -1 1 353.447 3.233 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1OC ZINC000193471957 712892439 /nfs/dbraw/zinc/89/24/39/712892439.db2.gz QGOARXDFHWOVIT-SNVBAGLBSA-N -1 1 364.810 3.380 20 30 FGEDMM COc1cc(Cl)c(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Cl ZINC000255689954 713704277 /nfs/dbraw/zinc/70/42/77/713704277.db2.gz FINGVQGKMBOMKR-JZIMQPMSSA-N -1 1 355.173 3.230 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1OC(F)F ZINC000619462977 714838715 /nfs/dbraw/zinc/83/87/15/714838715.db2.gz KPFQBWBYDPLPEA-UHFFFAOYSA-N -1 1 352.362 3.463 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2F)ccc1C(F)(F)F ZINC000619693661 714862625 /nfs/dbraw/zinc/86/26/25/714862625.db2.gz IGOVACUXYFVIKP-UHFFFAOYSA-N -1 1 360.288 3.223 20 30 FGEDMM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647378538 718353553 /nfs/dbraw/zinc/35/35/53/718353553.db2.gz DHJQUMZGHWFTML-HNNXBMFYSA-N -1 1 351.431 3.403 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NNc2cn[nH]c(=O)c2Cl)c1 ZINC000781585763 724576483 /nfs/dbraw/zinc/57/64/83/724576483.db2.gz CFHWGJIGILJPMY-UHFFFAOYSA-N -1 1 357.595 3.058 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000678479662 721960098 /nfs/dbraw/zinc/96/00/98/721960098.db2.gz ZFIDWQXMTGFABP-UHFFFAOYSA-N -1 1 356.447 3.281 20 30 FGEDMM O=S(=O)(c1ccc(NN=Cc2ccc([O-])c(Cl)c2)cc1)C(F)F ZINC000726424853 722433949 /nfs/dbraw/zinc/43/39/49/722433949.db2.gz MQSITISMQZRZGD-UHFFFAOYSA-N -1 1 360.769 3.488 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000730996142 722472498 /nfs/dbraw/zinc/47/24/98/722472498.db2.gz OKQPGSQMPIQIQI-UHFFFAOYSA-N -1 1 371.336 3.398 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Br)nc1 ZINC000731919905 722479406 /nfs/dbraw/zinc/47/94/06/722479406.db2.gz IMCPXNQMPWHNCG-FPLPWBNLSA-N -1 1 364.224 3.128 20 30 FGEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000733203413 722493885 /nfs/dbraw/zinc/49/38/85/722493885.db2.gz ILWRORRBIHUILR-UHFFFAOYSA-N -1 1 353.856 3.254 20 30 FGEDMM CCc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000746491781 722604809 /nfs/dbraw/zinc/60/48/09/722604809.db2.gz KHWVLOVWCRQBIK-UHFFFAOYSA-N -1 1 367.452 3.062 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1csc2ccccc12 ZINC000748254785 722681780 /nfs/dbraw/zinc/68/17/80/722681780.db2.gz GPWJATSDBRUVFT-UHFFFAOYSA-N -1 1 361.404 3.122 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)ccc1Cl ZINC000753709067 722910184 /nfs/dbraw/zinc/91/01/84/722910184.db2.gz LSSZCQWHWPZZHS-UHFFFAOYSA-N -1 1 374.205 3.214 20 30 FGEDMM O=C(/C=C\c1cc2c(cc1Br)OCO2)c1cc(O)ccc1[O-] ZINC000757468756 722976551 /nfs/dbraw/zinc/97/65/51/722976551.db2.gz WLFLAPKXMQJCBB-IWQZZHSRSA-N -1 1 363.163 3.485 20 30 FGEDMM O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 ZINC000757472116 722976573 /nfs/dbraw/zinc/97/65/73/722976573.db2.gz LGGOMQPDKJTSKG-BAQGIRSFSA-N -1 1 350.273 3.050 20 30 FGEDMM Cc1cccnc1N=NCc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000790190193 723112183 /nfs/dbraw/zinc/11/21/83/723112183.db2.gz GZLQBCDSEOOLOJ-UHFFFAOYSA-N -1 1 364.199 3.062 20 30 FGEDMM O=C(/C=C/c1ncc(I)s1)c1ccc([O-])cc1 ZINC000794689533 723541131 /nfs/dbraw/zinc/54/11/31/723541131.db2.gz BRQLWUBXKLFHJK-AATRIKPKSA-N -1 1 357.172 3.349 20 30 FGEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000767770174 723633594 /nfs/dbraw/zinc/63/35/94/723633594.db2.gz GSPIZNVFDMWLFG-UHFFFAOYSA-N -1 1 365.817 3.332 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H](C)C#N)c2)c1 ZINC000770932950 723723873 /nfs/dbraw/zinc/72/38/73/723723873.db2.gz YRBRLKXUYALUBN-CQSZACIVSA-N -1 1 358.419 3.112 20 30 FGEDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000777601267 724242892 /nfs/dbraw/zinc/24/28/92/724242892.db2.gz PMLYEUUOHADDAS-UHFFFAOYSA-N -1 1 365.798 3.191 20 30 FGEDMM N#C[C@H](C(=O)[C@H]1C[C@@H]1C(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000802036049 724354476 /nfs/dbraw/zinc/35/44/76/724354476.db2.gz PNEIIQBRBQDFKY-LPEHRKFASA-N -1 1 363.389 3.353 20 30 FGEDMM C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H](C)O1 ZINC000834956463 729847894 /nfs/dbraw/zinc/84/78/94/729847894.db2.gz VDVXTNWOTYAHPA-KGLIPLIRSA-N -1 1 359.451 3.453 20 30 FGEDMM CCCCC1N=NC(=S)N1N=Cc1cccc([O-])c1Br ZINC000841607298 730259820 /nfs/dbraw/zinc/25/98/20/730259820.db2.gz VDNYEEUEDOKVDP-UHFFFAOYSA-N -1 1 355.261 3.260 20 30 FGEDMM C=CCOCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000855778837 731952765 /nfs/dbraw/zinc/95/27/65/731952765.db2.gz YODHAFDGKBMWCS-UHFFFAOYSA-N -1 1 350.415 3.062 20 30 FGEDMM C=C(Cl)C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000864519511 733071997 /nfs/dbraw/zinc/07/19/97/733071997.db2.gz QHQQHVFHGAHYPP-LBPRGKRZSA-N -1 1 366.826 3.224 20 30 FGEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)ccc1OC ZINC000901605227 743598772 /nfs/dbraw/zinc/59/87/72/743598772.db2.gz OTVMORDWJYWAHL-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM N#C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CC2CCC1CC2 ZINC000907758360 744235251 /nfs/dbraw/zinc/23/52/51/744235251.db2.gz PQRHRQWUPLJSMF-YUNLISADSA-N -1 1 363.255 3.491 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000914600881 757809686 /nfs/dbraw/zinc/80/96/86/757809686.db2.gz YMSGVBQYWCXQKY-UHFFFAOYSA-N -1 1 355.463 3.447 20 30 FGEDMM Cc1nnnn1-c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000576997780 505641561 /nfs/dbraw/zinc/64/15/61/505641561.db2.gz WKYLAEYMDOGOAB-CQSZACIVSA-N -1 1 366.450 3.215 20 30 FGEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000007418132 494021239 /nfs/dbraw/zinc/02/12/39/494021239.db2.gz MNCAZTRYKGACAD-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cscn3)s2)cc1 ZINC000063451797 494055226 /nfs/dbraw/zinc/05/52/26/494055226.db2.gz LEUOYBDLSKLZRR-UHFFFAOYSA-N -1 1 359.461 3.411 20 30 FGEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)[nH]n1 ZINC000086170815 494142524 /nfs/dbraw/zinc/14/25/24/494142524.db2.gz GNBWXQMRSWIJTH-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc(OC)c1 ZINC000077688213 494143561 /nfs/dbraw/zinc/14/35/61/494143561.db2.gz PGLQQLAHXQSUGF-UHFFFAOYSA-N -1 1 352.799 3.030 20 30 FGEDMM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c12 ZINC000041553276 494167598 /nfs/dbraw/zinc/16/75/98/494167598.db2.gz RJVRWSAGESDUDF-CYBMUJFWSA-N -1 1 373.338 3.489 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1 ZINC000088084326 494211568 /nfs/dbraw/zinc/21/15/68/494211568.db2.gz QJAKMLHZRFWPEZ-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000055664121 494385122 /nfs/dbraw/zinc/38/51/22/494385122.db2.gz FXTZRJPNPNEJJL-UHFFFAOYSA-N -1 1 370.474 3.282 20 30 FGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000022406320 494522892 /nfs/dbraw/zinc/52/28/92/494522892.db2.gz MBXPSJPWMTZMCQ-UHFFFAOYSA-N -1 1 356.447 3.302 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OCC)c(OC)c2)n1 ZINC000067894877 494685909 /nfs/dbraw/zinc/68/59/09/494685909.db2.gz FOHOAICYGDOCFP-GFCCVEGCSA-N -1 1 374.418 3.217 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(CS(C)(=O)=O)cc2)n1 ZINC000080449347 494706989 /nfs/dbraw/zinc/70/69/89/494706989.db2.gz VNCXYQUNZLISLG-AWEZNQCLSA-N -1 1 362.476 3.301 20 30 FGEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1C ZINC000134447421 495151053 /nfs/dbraw/zinc/15/10/53/495151053.db2.gz WVHVVVUWBLLYOR-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1OCC ZINC000102862296 495167765 /nfs/dbraw/zinc/16/77/65/495167765.db2.gz OTGXLIXEASYYCW-UHFFFAOYSA-N -1 1 364.398 3.296 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(F)c1 ZINC000135363686 495282960 /nfs/dbraw/zinc/28/29/60/495282960.db2.gz TUZJREWRSKGITA-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM C=C(C)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000154369307 495594730 /nfs/dbraw/zinc/59/47/30/495594730.db2.gz KNSRYJBSWGUTBK-UHFFFAOYSA-N -1 1 362.426 3.241 20 30 FGEDMM N#Cc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000155632731 496019093 /nfs/dbraw/zinc/01/90/93/496019093.db2.gz OISGNQGSOUKSDX-UHFFFAOYSA-N -1 1 357.413 3.379 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC)c2C)n1 ZINC000568969416 505820962 /nfs/dbraw/zinc/82/09/62/505820962.db2.gz JUKAGBHFHSROAL-LBPRGKRZSA-N -1 1 374.418 3.136 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000180713277 496114819 /nfs/dbraw/zinc/11/48/19/496114819.db2.gz DWCHQKKXQRMYKE-UHFFFAOYSA-N -1 1 355.463 3.392 20 30 FGEDMM CC[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000183875511 496144826 /nfs/dbraw/zinc/14/48/26/496144826.db2.gz TXKMLPOFVINTGN-INIZCTEOSA-N -1 1 371.462 3.218 20 30 FGEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181071860 496260370 /nfs/dbraw/zinc/26/03/70/496260370.db2.gz AUUQFMFMMOLKAM-UHFFFAOYSA-N -1 1 373.409 3.005 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000157715844 496536478 /nfs/dbraw/zinc/53/64/78/496536478.db2.gz SDNKIPMQMGWNIH-AWEZNQCLSA-N -1 1 358.316 3.279 20 30 FGEDMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000157981955 496601261 /nfs/dbraw/zinc/60/12/61/496601261.db2.gz MHKOMIULWCQUHW-UHFFFAOYSA-N -1 1 372.446 3.118 20 30 FGEDMM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000154132385 496692706 /nfs/dbraw/zinc/69/27/06/496692706.db2.gz QJGHGSLTUKYVJM-UHFFFAOYSA-N -1 1 362.426 3.193 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1[O-] ZINC000189989213 497316272 /nfs/dbraw/zinc/31/62/72/497316272.db2.gz IRPBJDPNMPLHKA-UHFFFAOYSA-N -1 1 364.323 3.273 20 30 FGEDMM CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000267427780 497549920 /nfs/dbraw/zinc/54/99/20/497549920.db2.gz VVHQDBWLNGZEDL-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1 ZINC000279933461 497593717 /nfs/dbraw/zinc/59/37/17/497593717.db2.gz LQQNJZDGRBHQMV-SFHVURJKSA-N -1 1 372.446 3.111 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000329737658 497885851 /nfs/dbraw/zinc/88/58/51/497885851.db2.gz MGTMRPGORIOGGP-VHDGCEQUSA-N -1 1 366.483 3.495 20 30 FGEDMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)N1CCCC[C@H]1C ZINC000331248024 498283941 /nfs/dbraw/zinc/28/39/41/498283941.db2.gz WMKONBRFMQBZCF-MNOVXSKESA-N -1 1 369.259 3.249 20 30 FGEDMM CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)CCC(C)(C)C#N)n[nH]1 ZINC000581645713 506035443 /nfs/dbraw/zinc/03/54/43/506035443.db2.gz XMUYCEKWVHMNNW-UHFFFAOYSA-N -1 1 361.471 3.277 20 30 FGEDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1O ZINC000290429485 498549315 /nfs/dbraw/zinc/54/93/15/498549315.db2.gz APRYENHFMDPBOZ-UHFFFAOYSA-N -1 1 360.435 3.184 20 30 FGEDMM N#Cc1cnc2ccccc2c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290664440 498638244 /nfs/dbraw/zinc/63/82/44/498638244.db2.gz JYAOMPCINPVZTC-LBPRGKRZSA-N -1 1 362.355 3.001 20 30 FGEDMM CCc1nc(SCC(=O)Nc2ccccc2SCC#N)[n-]c(=O)c1C ZINC000581895986 506085216 /nfs/dbraw/zinc/08/52/16/506085216.db2.gz VTLYYHOFIDUTQJ-UHFFFAOYSA-N -1 1 374.491 3.400 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]c1-c1ccncc1 ZINC000367008592 499133312 /nfs/dbraw/zinc/13/33/12/499133312.db2.gz YTWPWVAKGDVEKD-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000416592669 500068677 /nfs/dbraw/zinc/06/86/77/500068677.db2.gz LFUPOXAEJSWJQQ-OCCSQVGLSA-N -1 1 350.827 3.419 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000416959982 500167081 /nfs/dbraw/zinc/16/70/81/500167081.db2.gz QIXRTBZTJGFQQT-JTQLQIEISA-N -1 1 367.254 3.062 20 30 FGEDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2O1 ZINC000427313608 500380684 /nfs/dbraw/zinc/38/06/84/500380684.db2.gz GFCJQDMEPXUZDX-QGZVFWFLSA-N -1 1 362.382 3.396 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c(Cl)c1 ZINC000431637903 500401481 /nfs/dbraw/zinc/40/14/81/500401481.db2.gz FGNCLBDIWIPAJF-CQSZACIVSA-N -1 1 356.781 3.496 20 30 FGEDMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000447259277 500581048 /nfs/dbraw/zinc/58/10/48/500581048.db2.gz ULBSKRKKDZCQRY-UHFFFAOYSA-N -1 1 372.450 3.117 20 30 FGEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000436995122 500588793 /nfs/dbraw/zinc/58/87/93/500588793.db2.gz HDXOSMGQNFVBGM-GOSISDBHSA-N -1 1 373.815 3.207 20 30 FGEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3c(C#N)cccc3C#N)c2)n1 ZINC000432936646 500593961 /nfs/dbraw/zinc/59/39/61/500593961.db2.gz HIOKLEUVIMJHSE-UHFFFAOYSA-N -1 1 372.388 3.004 20 30 FGEDMM CN(Cc1cc(Br)cs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442874939 500637583 /nfs/dbraw/zinc/63/75/83/500637583.db2.gz NCOVUWINOVRMNZ-UHFFFAOYSA-N -1 1 351.225 3.360 20 30 FGEDMM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443125843 500684740 /nfs/dbraw/zinc/68/47/40/500684740.db2.gz XCMPLAILJYIQBT-RBUKOAKNSA-N -1 1 350.418 3.378 20 30 FGEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000435426833 500972867 /nfs/dbraw/zinc/97/28/67/500972867.db2.gz KCBCZHKCBSWCAO-QGZVFWFLSA-N -1 1 374.443 3.289 20 30 FGEDMM C=CCN1C(=O)c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2C1=O ZINC000445455013 500988763 /nfs/dbraw/zinc/98/87/63/500988763.db2.gz IKWHURXSWVMZRL-UHFFFAOYSA-N -1 1 365.320 3.030 20 30 FGEDMM COC(=O)c1ccc([O-])c(NC(=O)CCCCOc2cccc(C#N)c2)c1 ZINC000436502068 501140626 /nfs/dbraw/zinc/14/06/26/501140626.db2.gz GBPKAPWUOLXOFM-UHFFFAOYSA-N -1 1 368.389 3.238 20 30 FGEDMM CCc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000436817742 501215841 /nfs/dbraw/zinc/21/58/41/501215841.db2.gz CADLXEQPFBHDFJ-UHFFFAOYSA-N -1 1 352.390 3.286 20 30 FGEDMM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)CC2)c1 ZINC000481566353 501817685 /nfs/dbraw/zinc/81/76/85/501817685.db2.gz HZVNLJKFFZXCBG-UHFFFAOYSA-N -1 1 362.364 3.463 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000465143536 502200838 /nfs/dbraw/zinc/20/08/38/502200838.db2.gz BSOIWPLRRAVATF-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000475784894 502291010 /nfs/dbraw/zinc/29/10/10/502291010.db2.gz AJSXMUDCFDYPHP-UHFFFAOYSA-N -1 1 370.352 3.495 20 30 FGEDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475787624 502292459 /nfs/dbraw/zinc/29/24/59/502292459.db2.gz DWQTVUJMCMENIQ-UHFFFAOYSA-N -1 1 352.419 3.048 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000513375625 502918754 /nfs/dbraw/zinc/91/87/54/502918754.db2.gz DQXPUYAQPVCUSA-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM C=CCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509783830 502984811 /nfs/dbraw/zinc/98/48/11/502984811.db2.gz RWESQHQFIYUCTC-UHFFFAOYSA-N -1 1 352.239 3.025 20 30 FGEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000501820439 503087568 /nfs/dbraw/zinc/08/75/68/503087568.db2.gz FOFJWHIVUWQQEM-UHFFFAOYSA-N -1 1 364.810 3.189 20 30 FGEDMM CSCc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000511417000 503318039 /nfs/dbraw/zinc/31/80/39/503318039.db2.gz VDBOTJAFPWVIMW-UHFFFAOYSA-N -1 1 368.430 3.178 20 30 FGEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000508090637 503428683 /nfs/dbraw/zinc/42/86/83/503428683.db2.gz XUDQSKRQPJBLSB-LBPRGKRZSA-N -1 1 371.286 3.446 20 30 FGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000537836041 504057526 /nfs/dbraw/zinc/05/75/26/504057526.db2.gz DXTVFEIIWZQROI-UHFFFAOYSA-N -1 1 372.446 3.495 20 30 FGEDMM O=C(COCC(F)(F)F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000547810116 504233811 /nfs/dbraw/zinc/23/38/11/504233811.db2.gz DMGFBWMFDKDWCD-JTQLQIEISA-N -1 1 351.193 3.263 20 30 FGEDMM Cc1ccccc1O[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553535984 504943312 /nfs/dbraw/zinc/94/33/12/504943312.db2.gz BIMIOJMECKKJBD-WBVHZDCISA-N -1 1 360.435 3.128 20 30 FGEDMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000553722617 504991469 /nfs/dbraw/zinc/99/14/69/504991469.db2.gz MXGPWZGEOCVWJI-QKYXUNIQSA-N -1 1 350.418 3.345 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3F)CCCC2)o1 ZINC000553880651 505031236 /nfs/dbraw/zinc/03/12/36/505031236.db2.gz GBARTSTZSUQFLM-UHFFFAOYSA-N -1 1 366.389 3.220 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCc2ccccc2)o1 ZINC000557803294 505234225 /nfs/dbraw/zinc/23/42/25/505234225.db2.gz KLMZZUROYWPDEW-UHFFFAOYSA-N -1 1 368.414 3.209 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000554689119 505240640 /nfs/dbraw/zinc/24/06/40/505240640.db2.gz BFOFITAYJNHION-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM N#CCC[C@H](C#N)CNCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000564849613 505538819 /nfs/dbraw/zinc/53/88/19/505538819.db2.gz VIRIDNJQOUBKRK-MRXNPFEDSA-N -1 1 368.462 3.021 20 30 FGEDMM COCCSc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589177501 506471209 /nfs/dbraw/zinc/47/12/09/506471209.db2.gz AOOOIQGLQCJIOJ-CYBMUJFWSA-N -1 1 356.447 3.493 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)cc1 ZINC000593276739 506507387 /nfs/dbraw/zinc/50/73/87/506507387.db2.gz ICUXMJJRFAWDLF-UHFFFAOYSA-N -1 1 370.478 3.284 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000589528055 506579332 /nfs/dbraw/zinc/57/93/32/506579332.db2.gz HYAVYSNWOBFWTQ-UHFFFAOYSA-N -1 1 356.250 3.491 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000583161905 506622759 /nfs/dbraw/zinc/62/27/59/506622759.db2.gz VSGHQRZTFWXEAK-SFHVURJKSA-N -1 1 356.378 3.358 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000584058897 507128114 /nfs/dbraw/zinc/12/81/14/507128114.db2.gz SQVZHZHLXCBGOB-UHFFFAOYSA-N -1 1 370.352 3.180 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCC2)cc1[O-] ZINC000597854268 507135376 /nfs/dbraw/zinc/13/53/76/507135376.db2.gz YWSGCRXMGPIZCP-LJQANCHMSA-N -1 1 350.418 3.288 20 30 FGEDMM Cc1nc(S[C@@H]2CCN(c3sccc3C#N)C2=O)[n-]c(=O)c1C1CC1 ZINC000601087307 507256325 /nfs/dbraw/zinc/25/63/25/507256325.db2.gz FYQIHJUSVVQGPJ-GFCCVEGCSA-N -1 1 372.475 3.199 20 30 FGEDMM CC(C)(C)OC(=O)CCC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000598143767 507279281 /nfs/dbraw/zinc/27/92/81/507279281.db2.gz ZVTJHTYEQFHPNQ-UHFFFAOYSA-N -1 1 358.438 3.238 20 30 FGEDMM N#Cc1ccc(SCC(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cc1 ZINC000610766070 507381439 /nfs/dbraw/zinc/38/14/39/507381439.db2.gz OPINTFVVPRBUPS-UHFFFAOYSA-N -1 1 370.384 3.379 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(I)cc2)c1 ZINC000614294001 507444634 /nfs/dbraw/zinc/44/46/34/507444634.db2.gz HTICCKMUGRLHEB-UHFFFAOYSA-N -1 1 364.142 3.121 20 30 FGEDMM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614371714 507482767 /nfs/dbraw/zinc/48/27/67/507482767.db2.gz DORLCSOTLORFKS-NSHDSACASA-N -1 1 359.223 3.387 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000614369901 507483179 /nfs/dbraw/zinc/48/31/79/507483179.db2.gz PJPOBFNXFOBOQM-OALUTQOASA-N -1 1 352.390 3.198 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c1 ZINC000614373832 507485079 /nfs/dbraw/zinc/48/50/79/507485079.db2.gz GCIAAABXEIRFHI-CYBMUJFWSA-N -1 1 359.788 3.065 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)CSC(C)(C)C)o1 ZINC000736047014 598276249 /nfs/dbraw/zinc/27/62/49/598276249.db2.gz OOBPZPWSKKKWJY-UHFFFAOYSA-N -1 1 351.480 3.373 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000735939876 598787039 /nfs/dbraw/zinc/78/70/39/598787039.db2.gz VEWIPKQYTLUJNT-UHFFFAOYSA-N -1 1 367.413 3.138 20 30 FGEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C12CCCC2 ZINC000821351224 599337789 /nfs/dbraw/zinc/33/77/89/599337789.db2.gz NKUKDKDJJNZLNM-GFCCVEGCSA-N -1 1 373.461 3.289 20 30 FGEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c(F)c1 ZINC000739117391 599789373 /nfs/dbraw/zinc/78/93/73/599789373.db2.gz DWFRXESZFVZSTE-OAHLLOKOSA-N -1 1 363.186 3.375 20 30 FGEDMM NC(=NOCc1ccc(F)cc1C(=O)[O-])c1ccc(N2CCCCC2)cc1 ZINC000833078196 601056366 /nfs/dbraw/zinc/05/63/66/601056366.db2.gz KEWMMWNHXBFZPY-UHFFFAOYSA-N -1 1 371.412 3.351 20 30 FGEDMM CC[C@@H](C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828700912 601300732 /nfs/dbraw/zinc/30/07/32/601300732.db2.gz UQMRDUVFTAFUFZ-KUHUBIRLSA-N -1 1 365.433 3.458 20 30 FGEDMM CC[C@H](/N=C/c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000828900838 601498687 /nfs/dbraw/zinc/49/86/87/601498687.db2.gz LGWVCUCTXPDCLU-QFKBZZQOSA-N -1 1 365.021 3.199 20 30 FGEDMM Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)cc(C)c1OCC(=O)[O-] ZINC000832859848 601499822 /nfs/dbraw/zinc/49/98/22/601499822.db2.gz ZNTWFFKIEUVJDG-AWEZNQCLSA-N -1 1 364.357 3.398 20 30 FGEDMM Cc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(C)c1OCC(=O)[O-] ZINC000832859848 601499823 /nfs/dbraw/zinc/49/98/23/601499823.db2.gz ZNTWFFKIEUVJDG-AWEZNQCLSA-N -1 1 364.357 3.398 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000738893170 604476399 /nfs/dbraw/zinc/47/63/99/604476399.db2.gz LVTGNNULILPGLD-ZDUSSCGKSA-N -1 1 361.467 3.006 20 30 FGEDMM CC(C)(CCC#N)CN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833457030 604575800 /nfs/dbraw/zinc/57/58/00/604575800.db2.gz HPBXGJMDRJBHNM-QGZVFWFLSA-N -1 1 363.889 3.413 20 30 FGEDMM Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H](C)C3CCN(C(=O)[O-])CC3)[nH]c21 ZINC000830532147 605081785 /nfs/dbraw/zinc/08/17/85/605081785.db2.gz MIXZSLQZENLWDX-HIFRSBDPSA-N -1 1 368.437 3.464 20 30 FGEDMM CCCCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000821072857 606166470 /nfs/dbraw/zinc/16/64/70/606166470.db2.gz WHNZQZIQKHOPCP-LBPRGKRZSA-N -1 1 361.450 3.361 20 30 FGEDMM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)S2)c1 ZINC000822323633 606387487 /nfs/dbraw/zinc/38/74/87/606387487.db2.gz LHGWKCIAJBAYOU-MDWZMJQESA-N -1 1 368.447 3.128 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822801908 606420726 /nfs/dbraw/zinc/42/07/26/606420726.db2.gz QSRUYTVAPTZWMN-HIFRSBDPSA-N -1 1 365.828 3.191 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822801908 606420728 /nfs/dbraw/zinc/42/07/28/606420728.db2.gz QSRUYTVAPTZWMN-HIFRSBDPSA-N -1 1 365.828 3.191 20 30 FGEDMM CC(C)c1ncc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000820206663 606917254 /nfs/dbraw/zinc/91/72/54/606917254.db2.gz URCQJRZJGRFOIR-UHFFFAOYSA-N -1 1 360.447 3.178 20 30 FGEDMM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819891588 607154526 /nfs/dbraw/zinc/15/45/26/607154526.db2.gz CALRXEBENMCXHJ-UHFFFAOYSA-N -1 1 353.407 3.086 20 30 FGEDMM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819891588 607154527 /nfs/dbraw/zinc/15/45/27/607154527.db2.gz CALRXEBENMCXHJ-UHFFFAOYSA-N -1 1 353.407 3.086 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCCCCOc2ccccc2)o1 ZINC000824141404 607887337 /nfs/dbraw/zinc/88/73/37/607887337.db2.gz GXKRXWPWOFIMLM-UHFFFAOYSA-N -1 1 369.429 3.409 20 30 FGEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(Cl)c1O ZINC000826179014 608092557 /nfs/dbraw/zinc/09/25/57/608092557.db2.gz VBSINFOJWZBHPT-IHWYPQMZSA-N -1 1 362.798 3.192 20 30 FGEDMM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826221582 608121622 /nfs/dbraw/zinc/12/16/22/608121622.db2.gz LORXKFCIVCOIHB-SREVYHEPSA-N -1 1 363.402 3.381 20 30 FGEDMM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826221582 608121623 /nfs/dbraw/zinc/12/16/23/608121623.db2.gz LORXKFCIVCOIHB-SREVYHEPSA-N -1 1 363.402 3.381 20 30 FGEDMM COc1ccc([C@@H](C)CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000826188154 608534385 /nfs/dbraw/zinc/53/43/85/608534385.db2.gz OVIGNBLEUWXPGI-NSHDSACASA-N -1 1 355.402 3.188 20 30 FGEDMM N#CCOc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000036682886 695753001 /nfs/dbraw/zinc/75/30/01/695753001.db2.gz ADALJKHWDPLQDS-UHFFFAOYSA-N -1 1 367.224 3.152 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1Cl ZINC000108929638 700528539 /nfs/dbraw/zinc/52/85/39/700528539.db2.gz FHDLKJLWCJCEFX-UHFFFAOYSA-N -1 1 360.778 3.119 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000122681777 700694011 /nfs/dbraw/zinc/69/40/11/700694011.db2.gz VSNTWFMWZHTGJQ-MRXNPFEDSA-N -1 1 358.419 3.255 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000131645529 700818102 /nfs/dbraw/zinc/81/81/02/700818102.db2.gz PALSXZZXMKFLGI-UHFFFAOYSA-N -1 1 364.839 3.326 20 30 FGEDMM C#C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000152530759 704965486 /nfs/dbraw/zinc/96/54/86/704965486.db2.gz MYPPUNGTRCTCBN-SFHVURJKSA-N -1 1 355.415 3.056 20 30 FGEDMM C#C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000152834538 704975214 /nfs/dbraw/zinc/97/52/14/704975214.db2.gz ZPXDZOKZJSCINR-SFHVURJKSA-N -1 1 355.415 3.056 20 30 FGEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C#N)cc2)c1Cl ZINC000156251904 705108001 /nfs/dbraw/zinc/10/80/01/705108001.db2.gz NSIXBQJXLXFDTR-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000171419617 705383899 /nfs/dbraw/zinc/38/38/99/705383899.db2.gz NIRWAFUSGDSMQZ-UHFFFAOYSA-N -1 1 371.299 3.376 20 30 FGEDMM C#Cc1cccc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000230887277 713577914 /nfs/dbraw/zinc/57/79/14/713577914.db2.gz OSPPEROXALJCSJ-UHFFFAOYSA-N -1 1 363.154 3.230 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2Cl)c(=O)o1 ZINC000255912416 713710445 /nfs/dbraw/zinc/71/04/45/713710445.db2.gz FMEVYXDFHSZOLA-MFBWXBCUSA-N -1 1 369.598 3.331 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1F ZINC000308113780 713795535 /nfs/dbraw/zinc/79/55/35/713795535.db2.gz LJYIIACDIBOKHN-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM C=CCCCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000381129403 713978300 /nfs/dbraw/zinc/97/83/00/713978300.db2.gz IZBNTQGQAZSZDH-UHFFFAOYSA-N -1 1 353.669 3.132 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(Br)c([O-])c1 ZINC000618893672 714785544 /nfs/dbraw/zinc/78/55/44/714785544.db2.gz VKDLETUMQWYSJV-HNNXBMFYSA-N -1 1 357.207 3.444 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462997 714838853 /nfs/dbraw/zinc/83/88/53/714838853.db2.gz MYVARIWBXIEZHH-UHFFFAOYSA-N -1 1 354.435 3.247 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC(C)(C)C#N)c2)c1 ZINC000779226539 724400838 /nfs/dbraw/zinc/40/08/38/724400838.db2.gz VGFFJGVFTPNCJJ-UHFFFAOYSA-N -1 1 358.419 3.255 20 30 FGEDMM N#CC1(OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000762094946 723214255 /nfs/dbraw/zinc/21/42/55/723214255.db2.gz SKOPDYNAQKXEPE-UHFFFAOYSA-N -1 1 356.403 3.090 20 30 FGEDMM CCC(Cc1ccc(C)cc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248654 722681805 /nfs/dbraw/zinc/68/18/05/722681805.db2.gz UCDZVOORPHKZRN-UHFFFAOYSA-N -1 1 361.423 3.190 20 30 FGEDMM CC(N=Nc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1)c1ccccc1 ZINC000749263190 722722368 /nfs/dbraw/zinc/72/23/68/722722368.db2.gz QFGCLIRKUJVQPK-UHFFFAOYSA-N -1 1 352.419 3.451 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnc2ccccn12 ZINC000755590834 722954689 /nfs/dbraw/zinc/95/46/89/722954689.db2.gz PMDWFUGWBWFGGO-UHFFFAOYSA-N -1 1 366.475 3.389 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cc(Cl)c2c(c1)OCCO2 ZINC000756905498 722971693 /nfs/dbraw/zinc/97/16/93/722971693.db2.gz BMTVZJXJKVMLQT-UHFFFAOYSA-N -1 1 362.769 3.264 20 30 FGEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1cc(Cl)cs1 ZINC000759435664 723004457 /nfs/dbraw/zinc/00/44/57/723004457.db2.gz HVBRHNHRKATCJS-NSHDSACASA-N -1 1 362.794 3.134 20 30 FGEDMM CCN(c1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1)C(C)C ZINC000794016567 723483692 /nfs/dbraw/zinc/48/36/92/723483692.db2.gz CJAWZSKAKIBSNQ-UHFFFAOYSA-N -1 1 358.467 3.297 20 30 FGEDMM CN(C)c1ccccc1CNN=Cc1cc(O)c([O-])c(Br)c1 ZINC000794955900 723553019 /nfs/dbraw/zinc/55/30/19/723553019.db2.gz ALPUMKRKGSYNBE-UHFFFAOYSA-N -1 1 364.243 3.050 20 30 FGEDMM COC(=O)c1coc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1 ZINC000766501752 723577220 /nfs/dbraw/zinc/57/72/20/723577220.db2.gz INRLZPWPANEKRN-HYXAFXHYSA-N -1 1 351.152 3.430 20 30 FGEDMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000796097338 723620890 /nfs/dbraw/zinc/62/08/90/723620890.db2.gz LLIXINJMPJYYIB-AWEZNQCLSA-N -1 1 351.830 3.392 20 30 FGEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000769816208 723696777 /nfs/dbraw/zinc/69/67/77/723696777.db2.gz CZAQPMLDWOYMTM-RYUDHWBXSA-N -1 1 356.817 3.314 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H](C)C#N)cc1 ZINC000770937301 723723947 /nfs/dbraw/zinc/72/39/47/723723947.db2.gz NMBQAAOPZHHFAN-ZDUSSCGKSA-N -1 1 358.419 3.112 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810100807 725288742 /nfs/dbraw/zinc/28/87/42/725288742.db2.gz UPXGFAWPEUEYPI-ZDUSSCGKSA-N -1 1 368.773 3.040 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CC[C@H](Cc3ccccc3)C2)c2ccccc21 ZINC000814799154 727001863 /nfs/dbraw/zinc/00/18/63/727001863.db2.gz VVVLRSNBHRBITQ-OAHLLOKOSA-N -1 1 353.447 3.124 20 30 FGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCCOC(C)C)s1 ZINC000819536618 727381529 /nfs/dbraw/zinc/38/15/29/727381529.db2.gz DHYCFROSWNDINV-UHFFFAOYSA-N -1 1 364.920 3.311 20 30 FGEDMM N#C[C@H](C(=O)CSC1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835039349 729852206 /nfs/dbraw/zinc/85/22/06/729852206.db2.gz DTUOXMPOVAMXIL-LLVKDONJSA-N -1 1 359.476 3.348 20 30 FGEDMM N#CC(=C([O-])c1ccc(N2CCNC2=O)cc1)c1nc(C2CC2)cs1 ZINC000842936971 730559881 /nfs/dbraw/zinc/55/98/81/730559881.db2.gz AZPFAONFESMZET-AWEZNQCLSA-N -1 1 352.419 3.040 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000853290152 731691734 /nfs/dbraw/zinc/69/17/34/731691734.db2.gz WMTOWAUDOIKEFM-MNOVXSKESA-N -1 1 359.373 3.080 20 30 FGEDMM N#Cc1cccc([C@H]2CN(C(=O)Cc3ccc([O-])c(Cl)c3)CCO2)c1 ZINC000867065448 733432721 /nfs/dbraw/zinc/43/27/21/733432721.db2.gz AVYPVBPWDDWCPX-GOSISDBHSA-N -1 1 356.809 3.060 20 30 FGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(C(C)(C)C)cs2)c1 ZINC000870138489 733815864 /nfs/dbraw/zinc/81/58/64/733815864.db2.gz LTUVIEXQLWFKLV-CYBMUJFWSA-N -1 1 357.435 3.410 20 30 FGEDMM C=C[C@@](C)(O)Cc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000896204167 742513892 /nfs/dbraw/zinc/51/38/92/742513892.db2.gz LXLIFWLCFSWLSS-OAHLLOKOSA-N -1 1 369.215 3.083 20 30 FGEDMM CCSc1ccccc1CC(C)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000901197367 743235691 /nfs/dbraw/zinc/23/56/91/743235691.db2.gz XCZBORGYCCXGQA-UHFFFAOYSA-N -1 1 356.455 3.211 20 30 FGEDMM CCOCc1nc(C)cc(N=NCc2cc(C(=O)[O-])c(Cl)s2)n1 ZINC000901278327 743247579 /nfs/dbraw/zinc/24/75/79/743247579.db2.gz PURBKZLVMHRUEW-UHFFFAOYSA-N -1 1 354.819 3.181 20 30 FGEDMM C=CCCC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909124235 744342904 /nfs/dbraw/zinc/34/29/04/744342904.db2.gz RKRIPVCKJZPZGG-JKSUJKDBSA-N -1 1 367.877 3.051 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(CC(C)C)cc1 ZINC000914600315 757809617 /nfs/dbraw/zinc/80/96/17/757809617.db2.gz RIJAQHBXANRSOY-UHFFFAOYSA-N -1 1 355.463 3.348 20 30 FGEDMM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000917509537 758231165 /nfs/dbraw/zinc/23/11/65/758231165.db2.gz JFBBNHYAWYCPBD-NSHDSACASA-N -1 1 352.375 3.068 20 30 FGEDMM N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3c([O-])cccc3Cl)C2)nc1 ZINC000928718937 760246222 /nfs/dbraw/zinc/24/62/22/760246222.db2.gz JMCFOTGXUVVULO-CYBMUJFWSA-N -1 1 356.813 3.029 20 30 FGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000028492305 210163676 /nfs/dbraw/zinc/16/36/76/210163676.db2.gz JHJVKZXFDZEMRR-UHFFFAOYSA-N -1 1 374.437 3.441 20 30 FGEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000063181253 212032293 /nfs/dbraw/zinc/03/22/93/212032293.db2.gz JZVVTCYVQUWRBK-UHFFFAOYSA-N -1 1 357.435 3.406 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000008316812 494084004 /nfs/dbraw/zinc/08/40/04/494084004.db2.gz YIULLDSICOAVDN-UHFFFAOYSA-N -1 1 350.827 3.057 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H](C)C#N)c2)cc1 ZINC000053077665 494090891 /nfs/dbraw/zinc/09/08/91/494090891.db2.gz NAVLLAQTURQRCD-HNNXBMFYSA-N -1 1 371.462 3.028 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N)C1CC1 ZINC000568511553 505712818 /nfs/dbraw/zinc/71/28/18/505712818.db2.gz OWOYZBAFJPMMHN-WFASDCNBSA-N -1 1 354.497 3.248 20 30 FGEDMM N#Cc1ccc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000055315727 494326305 /nfs/dbraw/zinc/32/63/05/494326305.db2.gz NYVYITOPPQFJTQ-UHFFFAOYSA-N -1 1 362.429 3.318 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)ccc1Cl ZINC000055589833 494369177 /nfs/dbraw/zinc/36/91/77/494369177.db2.gz JWOQPDLUHSBNAT-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000115900312 494659853 /nfs/dbraw/zinc/65/98/53/494659853.db2.gz XSUDNDJGNGINIL-NSHDSACASA-N -1 1 373.359 3.154 20 30 FGEDMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000108638903 494753087 /nfs/dbraw/zinc/75/30/87/494753087.db2.gz YCDPEUNXFRNXMA-UHFFFAOYSA-N -1 1 372.837 3.413 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000131922778 494775564 /nfs/dbraw/zinc/77/55/64/494775564.db2.gz UDZDUZPTEWKRIN-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000116858636 494863336 /nfs/dbraw/zinc/86/33/36/494863336.db2.gz NHQRTMCMVSJCEE-CYBMUJFWSA-N -1 1 362.426 3.321 20 30 FGEDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000109713131 494910759 /nfs/dbraw/zinc/91/07/59/494910759.db2.gz LAGLRHLOXHGQQF-QMMMGPOBSA-N -1 1 368.340 3.192 20 30 FGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000127353390 494932231 /nfs/dbraw/zinc/93/22/31/494932231.db2.gz NCORQCIAGAPCDE-IBGZPJMESA-N -1 1 371.462 3.218 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Br ZINC000096487747 495012426 /nfs/dbraw/zinc/01/24/26/495012426.db2.gz FWADOINXTNDLHB-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM Cc1ncsc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000118911997 495053919 /nfs/dbraw/zinc/05/39/19/495053919.db2.gz ZSNNSNSYCNPOIT-SNVBAGLBSA-N -1 1 370.459 3.118 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(OC(F)F)c(C)c2)c(=O)o1 ZINC000119863532 495256872 /nfs/dbraw/zinc/25/68/72/495256872.db2.gz BFVLPZRTHHFWCI-RGDDUWESSA-N -1 1 350.317 3.133 20 30 FGEDMM N#CCCN(Cc1cccnc1)C(=O)c1ccc(Br)cc1[O-] ZINC000120017780 495290221 /nfs/dbraw/zinc/29/02/21/495290221.db2.gz RXWVEADHSBYKHI-UHFFFAOYSA-N -1 1 360.211 3.106 20 30 FGEDMM N#CC1(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000124742482 495335863 /nfs/dbraw/zinc/33/58/63/495335863.db2.gz VOZYYAWUDLRPMY-UHFFFAOYSA-N -1 1 369.446 3.054 20 30 FGEDMM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125084001 495388823 /nfs/dbraw/zinc/38/88/23/495388823.db2.gz KBLZVZGJQBTFTK-UHFFFAOYSA-N -1 1 366.389 3.059 20 30 FGEDMM N#CCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179324763 495543256 /nfs/dbraw/zinc/54/32/56/495543256.db2.gz LBSNZEOLKRXZPO-UHFFFAOYSA-N -1 1 369.643 3.214 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cc2ccccc2o1 ZINC000156224765 496191960 /nfs/dbraw/zinc/19/19/60/496191960.db2.gz NTNLOTCHMSOUIZ-NSHDSACASA-N -1 1 371.374 3.252 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3cccc(C)c3C)nc(=O)c2c1C ZINC000153566081 496500373 /nfs/dbraw/zinc/50/03/73/496500373.db2.gz IHAJPCIZLLCGKJ-ZDUSSCGKSA-N -1 1 366.446 3.464 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000157715979 496536513 /nfs/dbraw/zinc/53/65/13/496536513.db2.gz SDNKIPMQMGWNIH-CQSZACIVSA-N -1 1 358.316 3.279 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189060786 496995421 /nfs/dbraw/zinc/99/54/21/496995421.db2.gz UFPMSDCHRFUBBT-AEFFLSMTSA-N -1 1 355.825 3.092 20 30 FGEDMM N#Cc1c(CSc2nc([O-])cc(=O)n2C2CCCC2)cn2ccccc12 ZINC000192709242 497191053 /nfs/dbraw/zinc/19/10/53/497191053.db2.gz FCCKGOJFSLDZKP-UHFFFAOYSA-N -1 1 366.446 3.481 20 30 FGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000271340013 497324392 /nfs/dbraw/zinc/32/43/92/497324392.db2.gz FUYOULWOGSFNHL-GFCCVEGCSA-N -1 1 373.331 3.171 20 30 FGEDMM COC(=O)c1c[n-]c(SCc2cc(C#N)ccc2Br)n1 ZINC000193544359 497409506 /nfs/dbraw/zinc/40/95/06/497409506.db2.gz PQNQVMODTQBSCN-UHFFFAOYSA-N -1 1 352.213 3.123 20 30 FGEDMM COc1ccc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)cc1OC(F)F ZINC000190362738 497450471 /nfs/dbraw/zinc/45/04/71/497450471.db2.gz HLTAQYYYPHOWTO-UHFFFAOYSA-N -1 1 362.332 3.146 20 30 FGEDMM COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)ccc1F ZINC000190808562 497610687 /nfs/dbraw/zinc/61/06/87/497610687.db2.gz ZNWAHJGTOKTPPB-UHFFFAOYSA-N -1 1 364.398 3.294 20 30 FGEDMM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190962264 497663025 /nfs/dbraw/zinc/66/30/25/497663025.db2.gz RDNYULIEALBQAF-OAHLLOKOSA-N -1 1 359.389 3.213 20 30 FGEDMM Cc1cnc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[n-]c1=O ZINC000572257933 505927357 /nfs/dbraw/zinc/92/73/57/505927357.db2.gz FDCJDUMFMJXCEA-LBPRGKRZSA-N -1 1 360.414 3.057 20 30 FGEDMM C=CCC(C)(C)c1noc(Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000349726206 498006192 /nfs/dbraw/zinc/00/61/92/498006192.db2.gz XNRTUZYUCPKVAV-UHFFFAOYSA-N -1 1 351.410 3.380 20 30 FGEDMM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000331156111 498263320 /nfs/dbraw/zinc/26/33/20/498263320.db2.gz YOIGUBIAKCKWMH-KWQFWETISA-N -1 1 352.765 3.329 20 30 FGEDMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)cc(Cl)c1[O-] ZINC000331281441 498291727 /nfs/dbraw/zinc/29/17/27/498291727.db2.gz QXDCESNFQVXXML-DGCLKSJQSA-N -1 1 368.861 3.442 20 30 FGEDMM N#Cc1cnc2ccccc2c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281950477 498331262 /nfs/dbraw/zinc/33/12/62/498331262.db2.gz SCYTXSZUMXBZOQ-UHFFFAOYSA-N -1 1 362.355 3.001 20 30 FGEDMM CC(C)(C)c1csc([C@@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)CCO2)n1 ZINC000332376097 498667930 /nfs/dbraw/zinc/66/79/30/498667930.db2.gz VZKRMUSQYFDDOS-HNNXBMFYSA-N -1 1 371.462 3.232 20 30 FGEDMM Cc1ccc2c([O-])c(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cnc2n1 ZINC000372841285 499183142 /nfs/dbraw/zinc/18/31/42/499183142.db2.gz TTWWWLFPUYVLMA-UHFFFAOYSA-N -1 1 370.412 3.445 20 30 FGEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)c2=O ZINC000372841285 499183143 /nfs/dbraw/zinc/18/31/43/499183143.db2.gz TTWWWLFPUYVLMA-UHFFFAOYSA-N -1 1 370.412 3.445 20 30 FGEDMM C=C(CC)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000412401353 499852026 /nfs/dbraw/zinc/85/20/26/499852026.db2.gz GPQQJKKOLVCOBI-GOSISDBHSA-N -1 1 352.434 3.232 20 30 FGEDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000421161396 499977609 /nfs/dbraw/zinc/97/76/09/499977609.db2.gz XDLVUNVZXLIETI-AWEZNQCLSA-N -1 1 356.513 3.495 20 30 FGEDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000421161398 499978130 /nfs/dbraw/zinc/97/81/30/499978130.db2.gz XDLVUNVZXLIETI-CQSZACIVSA-N -1 1 356.513 3.495 20 30 FGEDMM O=C([O-])C[C@@H](CNCc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000417630827 500130076 /nfs/dbraw/zinc/13/00/76/500130076.db2.gz RRFOGOAFRAHBBW-ZETCQYMHSA-N -1 1 363.229 3.467 20 30 FGEDMM O=S(=O)([N-]Cc1c(F)cc(F)c(F)c1F)c1cc(F)c(F)cc1F ZINC000429906518 500164870 /nfs/dbraw/zinc/16/48/70/500164870.db2.gz XQRPJOHOFYPSOT-UHFFFAOYSA-N -1 1 373.249 3.139 20 30 FGEDMM N#C[C@H](NC(=O)c1ncccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000427113910 500355609 /nfs/dbraw/zinc/35/56/09/500355609.db2.gz KAZUXAMLHUMLHZ-SFHVURJKSA-N -1 1 359.385 3.361 20 30 FGEDMM N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)cc1[O-] ZINC000427791344 500433228 /nfs/dbraw/zinc/43/32/28/500433228.db2.gz DGJNACDPVCFRHK-UHFFFAOYSA-N -1 1 354.381 3.224 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1[O-] ZINC000437310604 500628262 /nfs/dbraw/zinc/62/82/62/500628262.db2.gz WXCHJSYUOBPAQD-LSDHHAIUSA-N -1 1 357.207 3.312 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000443417039 500722319 /nfs/dbraw/zinc/72/23/19/500722319.db2.gz KEKCSKHTXVDBSP-UHFFFAOYSA-N -1 1 356.451 3.196 20 30 FGEDMM C=CCC1(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000449266081 500962200 /nfs/dbraw/zinc/96/22/00/500962200.db2.gz TWRREOAGWURLLG-UHFFFAOYSA-N -1 1 352.456 3.142 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)N(C)C)ccc2C)ccc1C#N ZINC000435471375 500983282 /nfs/dbraw/zinc/98/32/82/500983282.db2.gz AYOFXBODZJEFNS-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2[nH]1 ZINC000435714117 501015598 /nfs/dbraw/zinc/01/55/98/501015598.db2.gz IUSLKETYUPKSEJ-UHFFFAOYSA-N -1 1 367.430 3.071 20 30 FGEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)[nH]n2)o1 ZINC000446639326 501146307 /nfs/dbraw/zinc/14/63/07/501146307.db2.gz RNRRAMJMOVMKCB-UHFFFAOYSA-N -1 1 362.798 3.304 20 30 FGEDMM COc1cc(-c2noc(-c3ccc(C#N)o3)n2)cc(Br)c1[O-] ZINC000436786350 501211601 /nfs/dbraw/zinc/21/16/01/501211601.db2.gz XSVKPOAVLABOCO-UHFFFAOYSA-N -1 1 362.139 3.345 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000451757731 501367109 /nfs/dbraw/zinc/36/71/09/501367109.db2.gz ORSITVCCRKFYEO-OAHLLOKOSA-N -1 1 354.790 3.373 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1Cl ZINC000481971086 501932661 /nfs/dbraw/zinc/93/26/61/501932661.db2.gz FXWABRRFOQRZOP-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)n1 ZINC000475800484 502295066 /nfs/dbraw/zinc/29/50/66/502295066.db2.gz XUQYGLUFPSDHPX-UHFFFAOYSA-N -1 1 364.430 3.319 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000547335350 504066720 /nfs/dbraw/zinc/06/67/20/504066720.db2.gz IWHFGJMRYGYVHZ-UHFFFAOYSA-N -1 1 360.439 3.138 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3(C#N)CC3)cc2)n1 ZINC000538578357 504291285 /nfs/dbraw/zinc/29/12/85/504291285.db2.gz IVPZUFVPWXSSAE-CQSZACIVSA-N -1 1 365.414 3.365 20 30 FGEDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000548534889 504479541 /nfs/dbraw/zinc/47/95/41/504479541.db2.gz BGPUBRLMRBFBGG-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM Cc1cc(N2CCC(c3n[n-]c(=O)o3)CC2)n2c3ccccc3nc2c1C#N ZINC000559593037 504894177 /nfs/dbraw/zinc/89/41/77/504894177.db2.gz GVAYGHRFTMJBON-UHFFFAOYSA-N -1 1 374.404 3.140 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)o1 ZINC000553541220 504944575 /nfs/dbraw/zinc/94/45/75/504944575.db2.gz FJHCIBSASVEOHT-WCQYABFASA-N -1 1 357.218 3.292 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)o1 ZINC000561542648 505373157 /nfs/dbraw/zinc/37/31/57/505373157.db2.gz AMLDANZGLOFYRY-UHFFFAOYSA-N -1 1 354.790 3.110 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2N(C)C[C@H](C)C#N)cc1 ZINC000603273593 506473248 /nfs/dbraw/zinc/47/32/48/506473248.db2.gz CPLKADIXIRTSDL-CQSZACIVSA-N -1 1 359.451 3.092 20 30 FGEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(OCC(F)(F)F)c1 ZINC000589189471 506477800 /nfs/dbraw/zinc/47/78/00/506477800.db2.gz ZURXXIKBZWEQBG-UHFFFAOYSA-N -1 1 364.323 3.443 20 30 FGEDMM C[C@@]1(C#N)CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000589487327 506566559 /nfs/dbraw/zinc/56/65/59/506566559.db2.gz NZBDJWFHOQRRIM-KRWDZBQOSA-N -1 1 374.238 3.469 20 30 FGEDMM COC(=O)Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000589794977 506650284 /nfs/dbraw/zinc/65/02/84/506650284.db2.gz IJZFTRSRWKYNQS-CQSZACIVSA-N -1 1 362.307 3.306 20 30 FGEDMM CC(C)(C)c1n[n-]c(=NC2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593515384 506666006 /nfs/dbraw/zinc/66/60/06/506666006.db2.gz NQKPLKFLIWERBT-UHFFFAOYSA-N -1 1 355.511 3.206 20 30 FGEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)n1 ZINC000589962045 506691002 /nfs/dbraw/zinc/69/10/02/506691002.db2.gz SDEBPSVDICTGCV-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)c2cc(F)ccc2O1 ZINC000593635338 506709680 /nfs/dbraw/zinc/70/96/80/506709680.db2.gz CPCQFPUCWVEIDK-GFCCVEGCSA-N -1 1 366.439 3.340 20 30 FGEDMM CCO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000600648253 507049602 /nfs/dbraw/zinc/04/96/02/507049602.db2.gz NRACQGOZXHNSOR-CZUORRHYSA-N -1 1 368.524 3.495 20 30 FGEDMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)nn1 ZINC000610194683 507134355 /nfs/dbraw/zinc/13/43/55/507134355.db2.gz UALVUXZNCLSISE-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1[O-] ZINC000598114954 507264178 /nfs/dbraw/zinc/26/41/78/507264178.db2.gz HRYVNJQLALORCV-GFCCVEGCSA-N -1 1 362.311 3.050 20 30 FGEDMM C[C@@H](C#N)N(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000598122615 507269543 /nfs/dbraw/zinc/26/95/43/507269543.db2.gz DCXANBSHOMMLCQ-AWEZNQCLSA-N -1 1 369.446 3.004 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000614296736 507444805 /nfs/dbraw/zinc/44/48/05/507444805.db2.gz QGYQVNOHCFLEIJ-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM C=CCCC(C)(C)NC(=O)c1ccc(I)c([O-])c1 ZINC000598520740 507470914 /nfs/dbraw/zinc/47/09/14/507470914.db2.gz DEPBMTZGCXDEPF-UHFFFAOYSA-N -1 1 359.207 3.471 20 30 FGEDMM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737705099 598994555 /nfs/dbraw/zinc/99/45/55/598994555.db2.gz KFBOKCVKUKPGTE-UHFFFAOYSA-N -1 1 373.401 3.114 20 30 FGEDMM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737705099 598994557 /nfs/dbraw/zinc/99/45/57/598994557.db2.gz KFBOKCVKUKPGTE-UHFFFAOYSA-N -1 1 373.401 3.114 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(-c3ccncc3)c2)o1 ZINC000735450890 599067417 /nfs/dbraw/zinc/06/74/17/599067417.db2.gz ITJLVALDVLKJCA-UHFFFAOYSA-N -1 1 360.381 3.061 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735410202 599203520 /nfs/dbraw/zinc/20/35/20/599203520.db2.gz WXVDFMNWSYCIPK-LBPRGKRZSA-N -1 1 367.384 3.493 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735410202 599203522 /nfs/dbraw/zinc/20/35/22/599203522.db2.gz WXVDFMNWSYCIPK-LBPRGKRZSA-N -1 1 367.384 3.493 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCCc3ccc(Cl)cc32)o1 ZINC000737467481 599221040 /nfs/dbraw/zinc/22/10/40/599221040.db2.gz QDBZQFQOVZITOV-UHFFFAOYSA-N -1 1 357.805 3.359 20 30 FGEDMM N#Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000739117694 599789342 /nfs/dbraw/zinc/78/93/42/599789342.db2.gz HSXDFBVPNBHYSS-HNNXBMFYSA-N -1 1 363.186 3.375 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H](C)[C@@H]3CCCN(C(=O)[O-])C3)[nH]c21 ZINC000830531002 604417327 /nfs/dbraw/zinc/41/73/27/604417327.db2.gz AAAVFQCNNXIBSA-RBSFLKMASA-N -1 1 368.437 3.464 20 30 FGEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000735227696 605097430 /nfs/dbraw/zinc/09/74/30/605097430.db2.gz YCOCHMOIPBXQHX-UHFFFAOYSA-N -1 1 368.361 3.217 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2N(C)C)o1 ZINC000819783569 607035467 /nfs/dbraw/zinc/03/54/67/607035467.db2.gz ZMVDJTBAZWVTTC-UHFFFAOYSA-N -1 1 372.408 3.019 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403699 608093093 /nfs/dbraw/zinc/09/30/93/608093093.db2.gz ZQVXIIBFVUAHJO-OWOJBTEDSA-N -1 1 366.431 3.343 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403699 608093094 /nfs/dbraw/zinc/09/30/94/608093094.db2.gz ZQVXIIBFVUAHJO-OWOJBTEDSA-N -1 1 366.431 3.343 20 30 FGEDMM C=C(C)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823873418 609347623 /nfs/dbraw/zinc/34/76/23/609347623.db2.gz LYNUJTIPLFYZOF-UHFFFAOYSA-N -1 1 367.384 3.446 20 30 FGEDMM C=C(C)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823873418 609347624 /nfs/dbraw/zinc/34/76/24/609347624.db2.gz LYNUJTIPLFYZOF-UHFFFAOYSA-N -1 1 367.384 3.446 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000036752569 695753689 /nfs/dbraw/zinc/75/36/89/695753689.db2.gz MZTMBGNJTCXSDY-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc2ccccc2s1 ZINC000780209111 724454193 /nfs/dbraw/zinc/45/41/93/724454193.db2.gz GLXNTEAVERWZRT-UHFFFAOYSA-N -1 1 355.444 3.364 20 30 FGEDMM C=C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000781575047 724575758 /nfs/dbraw/zinc/57/57/58/724575758.db2.gz HBTFEGPZCPDXLF-CYBMUJFWSA-N -1 1 361.419 3.227 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NNC(=S)Nc2cccnc2)c1 ZINC000781579878 724576151 /nfs/dbraw/zinc/57/61/51/724576151.db2.gz KBKIHPZBJWFAFK-UHFFFAOYSA-N -1 1 365.256 3.179 20 30 FGEDMM CC(C)(C)c1ccc(CC=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000782199614 724637260 /nfs/dbraw/zinc/63/72/60/724637260.db2.gz SNHMIJABCFDADT-UHFFFAOYSA-N -1 1 355.463 3.251 20 30 FGEDMM CCCC[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000727257491 722442716 /nfs/dbraw/zinc/44/27/16/722442716.db2.gz PNXZDAYQDRWAAE-CQSZACIVSA-N -1 1 353.444 3.361 20 30 FGEDMM C#Cc1cccc(NC(=S)NN=Cc2ccc([O-])c(Br)c2)c1 ZINC000727262321 722442773 /nfs/dbraw/zinc/44/27/73/722442773.db2.gz WPPGOFKSGNPQFE-UHFFFAOYSA-N -1 1 374.263 3.457 20 30 FGEDMM CC(C)C1CCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000729639123 722461219 /nfs/dbraw/zinc/46/12/19/722461219.db2.gz VZAAPYNKQTXPRU-UHFFFAOYSA-N -1 1 353.444 3.216 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000730996125 722472479 /nfs/dbraw/zinc/47/24/79/722472479.db2.gz NSZLOXFISUHHFE-UHFFFAOYSA-N -1 1 366.236 3.262 20 30 FGEDMM CCCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)c(Cl)c1 ZINC000731154795 722473665 /nfs/dbraw/zinc/47/36/65/722473665.db2.gz DLJYCMCGKYTMRF-UHFFFAOYSA-N -1 1 365.224 3.355 20 30 FGEDMM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000731338778 722474650 /nfs/dbraw/zinc/47/46/50/722474650.db2.gz IIQVGWAQDPFWMY-UHFFFAOYSA-N -1 1 370.213 3.474 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000734119571 722504417 /nfs/dbraw/zinc/50/44/17/722504417.db2.gz ADNLKKJYXHPVGR-UHFFFAOYSA-N -1 1 359.407 3.236 20 30 FGEDMM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)Nc1cccc(C#N)c1 ZINC000748473932 722692805 /nfs/dbraw/zinc/69/28/05/722692805.db2.gz CEVDBRHZQFOFLU-VIFPVBQESA-N -1 1 362.744 3.240 20 30 FGEDMM N#Cc1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000749529196 722732011 /nfs/dbraw/zinc/73/20/11/722732011.db2.gz FRCSEESALROXRM-UHFFFAOYSA-N -1 1 355.825 3.316 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000755027818 722949452 /nfs/dbraw/zinc/94/94/52/722949452.db2.gz WYFYALDLNVUVGC-UHFFFAOYSA-N -1 1 360.391 3.024 20 30 FGEDMM [O-]c1ccc(Cl)c(F)c1C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000790168443 723111009 /nfs/dbraw/zinc/11/10/09/723111009.db2.gz VWUUDEQKNMMNGN-LLVKDONJSA-N -1 1 356.810 3.189 20 30 FGEDMM C#CCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000761068319 723119385 /nfs/dbraw/zinc/11/93/85/723119385.db2.gz OPMPBCDXBPSQLI-UHFFFAOYSA-N -1 1 361.394 3.197 20 30 FGEDMM O=C(NCC#Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000764762109 723443460 /nfs/dbraw/zinc/44/34/60/723443460.db2.gz NSFLEKIZDUSBGQ-UHFFFAOYSA-N -1 1 359.223 3.006 20 30 FGEDMM CON=Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765756249 723538498 /nfs/dbraw/zinc/53/84/98/723538498.db2.gz LUBXXJTZPFRNIN-UHFFFAOYSA-N -1 1 363.211 3.065 20 30 FGEDMM N#C[C@@H](C(=O)Cc1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000772636864 723764484 /nfs/dbraw/zinc/76/44/84/723764484.db2.gz IVRCVHNNMGQNSR-LBPRGKRZSA-N -1 1 353.403 3.288 20 30 FGEDMM COCCCNC(=S)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774572749 723907547 /nfs/dbraw/zinc/90/75/47/723907547.db2.gz BPNKARWAONQYHY-UHFFFAOYSA-N -1 1 351.859 3.033 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(C)C ZINC000798471782 723935240 /nfs/dbraw/zinc/93/52/40/723935240.db2.gz AINIAIVWWLPFGV-ZETCQYMHSA-N -1 1 356.694 3.100 20 30 FGEDMM O=C([O-])Cn1cc(CN=Nc2cncc(Br)c2)c2ccccc21 ZINC000799884592 724107552 /nfs/dbraw/zinc/10/75/52/724107552.db2.gz HFOBOSZKWMUCEM-UHFFFAOYSA-N -1 1 373.210 3.329 20 30 FGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1Cl ZINC000788485350 725067329 /nfs/dbraw/zinc/06/73/29/725067329.db2.gz SQVYVZIRLFPIMQ-UHFFFAOYSA-N -1 1 366.826 3.360 20 30 FGEDMM O=c1[nH]ccc2cc(NN=Cc3ccc([O-])c(Br)c3)ccc12 ZINC000789071368 725107100 /nfs/dbraw/zinc/10/71/00/725107100.db2.gz VNPQBZODILIMSB-UHFFFAOYSA-N -1 1 358.195 3.442 20 30 FGEDMM N#CCCC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000814288127 726954057 /nfs/dbraw/zinc/95/40/57/726954057.db2.gz QBFSRPOFGMUQKN-CQSZACIVSA-N -1 1 365.436 3.370 20 30 FGEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826400521 729408002 /nfs/dbraw/zinc/40/80/02/729408002.db2.gz ASWFWWPQKNTZGY-RQOWECAXSA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826400521 729408003 /nfs/dbraw/zinc/40/80/03/729408003.db2.gz ASWFWWPQKNTZGY-RQOWECAXSA-N -1 1 361.770 3.386 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)cc1[O-] ZINC000834524308 729809885 /nfs/dbraw/zinc/80/98/85/729809885.db2.gz FKQWWCYJGKKZLM-UHFFFAOYSA-N -1 1 353.447 3.229 20 30 FGEDMM O=C([O-])c1ccc(N=NC2CCN(Cc3ccccc3Cl)CC2)cn1 ZINC000835006205 729849479 /nfs/dbraw/zinc/84/94/79/729849479.db2.gz BCUNTNNGAADWAX-UHFFFAOYSA-N -1 1 358.829 3.497 20 30 FGEDMM N#C[C@@H](C(=O)CSC1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835039353 729852155 /nfs/dbraw/zinc/85/21/55/729852155.db2.gz DTUOXMPOVAMXIL-NSHDSACASA-N -1 1 359.476 3.348 20 30 FGEDMM Cn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(C(C)(C)C)n1 ZINC000872003548 735572077 /nfs/dbraw/zinc/57/20/77/735572077.db2.gz RKAJYVRUPCKIRI-UHFFFAOYSA-N -1 1 352.847 3.043 20 30 FGEDMM COc1cc(Br)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000872394999 735623077 /nfs/dbraw/zinc/62/30/77/735623077.db2.gz SGBRJYNWMGWKLC-UHFFFAOYSA-N -1 1 361.261 3.139 20 30 FGEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000882712923 737481590 /nfs/dbraw/zinc/48/15/90/737481590.db2.gz SNWWUBKEQMYPGL-DWQUBVKVSA-N -1 1 360.410 3.414 20 30 FGEDMM C=C(Cl)C[C@H](NCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000901941054 743683415 /nfs/dbraw/zinc/68/34/15/743683415.db2.gz RJTZETBRKSVSBH-VIFPVBQESA-N -1 1 354.031 3.183 20 30 FGEDMM O=[N+]([O-])c1cc(CN=Nc2ncnc3sc4c(c32)CCC4)ccc1[O-] ZINC000916310428 758069282 /nfs/dbraw/zinc/06/92/82/758069282.db2.gz VSUFLWYWNVMFPM-UHFFFAOYSA-N -1 1 355.379 3.240 20 30 FGEDMM CCCCCCCCN1C(=O)C(=CNC2CCCC2)C(=O)[N-]C1=S ZINC000920975488 758627281 /nfs/dbraw/zinc/62/72/81/758627281.db2.gz GJRNBGRRDWNKQI-FYWRMAATSA-N -1 1 351.516 3.006 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)C2(C#N)CCSCC2)c1 ZINC000935271742 761832549 /nfs/dbraw/zinc/83/25/49/761832549.db2.gz ZCWVFODRDFYKIM-UHFFFAOYSA-N -1 1 355.257 3.439 20 30 FGEDMM N#Cc1ccc(CC(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)cc1 ZINC000068424768 493816815 /nfs/dbraw/zinc/81/68/15/493816815.db2.gz PRVGTQBJIUCHAF-UHFFFAOYSA-N -1 1 367.478 3.096 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)nc(C)n1 ZINC000050205689 493905884 /nfs/dbraw/zinc/90/58/84/493905884.db2.gz HORPRHMSNJCIEN-CQSZACIVSA-N -1 1 351.797 3.423 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000076935715 493990977 /nfs/dbraw/zinc/99/09/77/493990977.db2.gz RWEFPEFYJNKPDI-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000076936240 493991645 /nfs/dbraw/zinc/99/16/45/493991645.db2.gz SHJVLORJIWFIGO-UHFFFAOYSA-N -1 1 356.325 3.408 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000055664086 494385157 /nfs/dbraw/zinc/38/51/57/494385157.db2.gz TZJIENKUPVCMFA-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1F ZINC000055682255 494388492 /nfs/dbraw/zinc/38/84/92/494388492.db2.gz RGNVHZYHYFFLIG-UHFFFAOYSA-N -1 1 358.753 3.299 20 30 FGEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000121724621 494846231 /nfs/dbraw/zinc/84/62/31/494846231.db2.gz DYSPTBCHNPMJTC-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000574329549 505748829 /nfs/dbraw/zinc/74/88/29/505748829.db2.gz KGIJWPCOPNXUAS-UHFFFAOYSA-N -1 1 361.471 3.208 20 30 FGEDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000109713450 494910948 /nfs/dbraw/zinc/91/09/48/494910948.db2.gz BTTNLEQOZBLWHM-SECBINFHSA-N -1 1 374.388 3.024 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(/C=C/C)cc2)c1 ZINC000577555397 505751652 /nfs/dbraw/zinc/75/16/52/505751652.db2.gz CZQHOFMOMLFVHO-ZZXKWVIFSA-N -1 1 356.447 3.436 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000125339571 495429030 /nfs/dbraw/zinc/42/90/30/495429030.db2.gz PXOBSZCAGPHLHH-UHFFFAOYSA-N -1 1 360.826 3.316 20 30 FGEDMM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000154174707 495535178 /nfs/dbraw/zinc/53/51/78/495535178.db2.gz SZFPXXAVBFHTLB-UHFFFAOYSA-N -1 1 366.389 3.024 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ncc(-c2ccccc2)o1 ZINC000151563281 495880002 /nfs/dbraw/zinc/88/00/02/495880002.db2.gz OIVSLKGHTLGHCH-LBPRGKRZSA-N -1 1 371.393 3.392 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1Br ZINC000174652292 496047284 /nfs/dbraw/zinc/04/72/84/496047284.db2.gz FLNKMSAUWNOPJQ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1F ZINC000174713094 496073373 /nfs/dbraw/zinc/07/33/73/496073373.db2.gz PXUBTGNNQOGRLG-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C(=O)NC(C)C ZINC000172591828 496356035 /nfs/dbraw/zinc/35/60/35/496356035.db2.gz GMNFMNZWDSDJKW-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C ZINC000184781221 496530454 /nfs/dbraw/zinc/53/04/54/496530454.db2.gz RCOUVLLRDDSOAT-UHFFFAOYSA-N -1 1 371.462 3.276 20 30 FGEDMM N#Cc1ccc(-c2nnc(CSc3nc(C4CC4)cc(=O)[n-]3)o2)cc1 ZINC000191505368 496789192 /nfs/dbraw/zinc/78/91/92/496789192.db2.gz YKZRVRZQDOXAMU-UHFFFAOYSA-N -1 1 351.391 3.274 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000264058451 496802408 /nfs/dbraw/zinc/80/24/08/496802408.db2.gz KXQXAKNCKSOSRD-HNNXBMFYSA-N -1 1 371.462 3.170 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(CC)cc(=O)[n-]1 ZINC000195062684 496809582 /nfs/dbraw/zinc/80/95/82/496809582.db2.gz JFAFTYYMHHZIAA-LBPRGKRZSA-N -1 1 363.508 3.089 20 30 FGEDMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188598406 496846075 /nfs/dbraw/zinc/84/60/75/496846075.db2.gz GRFXBFMUNVATJW-ICSRJNTNSA-N -1 1 350.418 3.470 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc1[O-] ZINC000188955008 496958385 /nfs/dbraw/zinc/95/83/85/496958385.db2.gz NXFUHNZTTQMJJF-QGZVFWFLSA-N -1 1 352.365 3.281 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2ccc(Br)s2)cc1[O-] ZINC000190001275 497320662 /nfs/dbraw/zinc/32/06/62/497320662.db2.gz LXDZMDNKMMOXCD-UHFFFAOYSA-N -1 1 351.225 3.060 20 30 FGEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000194141158 497585389 /nfs/dbraw/zinc/58/53/89/497585389.db2.gz QTOGTZCMJVUMRY-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000330891064 498212976 /nfs/dbraw/zinc/21/29/76/498212976.db2.gz WWBYIOFEAWYLAY-ZCFIWIBFSA-N -1 1 357.682 3.135 20 30 FGEDMM N#CC1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CCCC1 ZINC000331639259 498403851 /nfs/dbraw/zinc/40/38/51/498403851.db2.gz PEIGUOBHQTYJFZ-UHFFFAOYSA-N -1 1 355.438 3.477 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C2CCCCC2)no1 ZINC000331706818 498426622 /nfs/dbraw/zinc/42/66/22/498426622.db2.gz AOIYRJLDYNRZIJ-SNVBAGLBSA-N -1 1 366.468 3.090 20 30 FGEDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000572908427 506080463 /nfs/dbraw/zinc/08/04/63/506080463.db2.gz FRGZPKOZFXGBEK-JTQLQIEISA-N -1 1 358.341 3.080 20 30 FGEDMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000322671723 498817628 /nfs/dbraw/zinc/81/76/28/498817628.db2.gz AWTAWRHTSVVXAA-UHFFFAOYSA-N -1 1 370.839 3.169 20 30 FGEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(Br)c1 ZINC000570242447 506122306 /nfs/dbraw/zinc/12/23/06/506122306.db2.gz MAGRMQSXZRUNAW-UHFFFAOYSA-N -1 1 366.240 3.133 20 30 FGEDMM CCOc1cc(C(=O)NCc2ccc(C#N)c(OC)c2)cc(Cl)c1[O-] ZINC000427233130 500371477 /nfs/dbraw/zinc/37/14/77/500371477.db2.gz ZLIUUFOOBIRJKK-UHFFFAOYSA-N -1 1 360.797 3.255 20 30 FGEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000428044987 500462002 /nfs/dbraw/zinc/46/20/02/500462002.db2.gz WQZLWDZKJVQXJW-NSHDSACASA-N -1 1 357.191 3.178 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432781433 500562954 /nfs/dbraw/zinc/56/29/54/500562954.db2.gz RICACURBIDAQJW-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM COc1ccc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c([N+](=O)[O-])c1 ZINC000447609562 500633631 /nfs/dbraw/zinc/63/36/31/500633631.db2.gz YICLIRXWCAZYNL-UHFFFAOYSA-N -1 1 364.317 3.382 20 30 FGEDMM COCCSc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442963806 500654048 /nfs/dbraw/zinc/65/40/48/500654048.db2.gz MUNKHHUNQPLBBS-CYBMUJFWSA-N -1 1 356.447 3.493 20 30 FGEDMM COc1cc(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c(SC)cc1OC ZINC000442980747 500658265 /nfs/dbraw/zinc/65/82/65/500658265.db2.gz SCVLVNHFCCRNLW-UHFFFAOYSA-N -1 1 372.446 3.275 20 30 FGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447781421 500660112 /nfs/dbraw/zinc/66/01/12/500660112.db2.gz CDXRXFOJDAWLMD-UHFFFAOYSA-N -1 1 356.325 3.408 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)ccc1C(F)(F)F ZINC000443412279 500721058 /nfs/dbraw/zinc/72/10/58/500721058.db2.gz VRIWNTMIEUJFMY-UHFFFAOYSA-N -1 1 368.336 3.313 20 30 FGEDMM N#CC(=C([O-])c1ccnc(Oc2ccc(F)cc2F)c1)c1ccncn1 ZINC000434643744 500871778 /nfs/dbraw/zinc/87/17/78/500871778.db2.gz RPBHGZCGCNWAFV-CYBMUJFWSA-N -1 1 352.300 3.432 20 30 FGEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435718930 501016826 /nfs/dbraw/zinc/01/68/26/501016826.db2.gz ZOFPNFUMSAASRM-CQSZACIVSA-N -1 1 371.462 3.196 20 30 FGEDMM N#Cc1cccc(-c2nnc(CSc3nc(C4CC4)cc(=O)[n-]3)o2)c1 ZINC000436253535 501096194 /nfs/dbraw/zinc/09/61/94/501096194.db2.gz NDZZCWLLNGMYSC-UHFFFAOYSA-N -1 1 351.391 3.274 20 30 FGEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451021493 501239723 /nfs/dbraw/zinc/23/97/23/501239723.db2.gz AIPKZHGGNPJBTR-AWEZNQCLSA-N -1 1 358.872 3.152 20 30 FGEDMM CCOc1cc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000453028833 501604643 /nfs/dbraw/zinc/60/46/43/501604643.db2.gz VAEDLLDZJYZUQA-ANRSDYALSA-N -1 1 364.199 3.405 20 30 FGEDMM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000467196765 501734474 /nfs/dbraw/zinc/73/44/74/501734474.db2.gz QTLHLHVDRCQQOT-OAHLLOKOSA-N -1 1 361.405 3.086 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1C(F)(F)F ZINC000478709249 502065776 /nfs/dbraw/zinc/06/57/76/502065776.db2.gz JWBCMAIQFGCQBH-UHFFFAOYSA-N -1 1 368.336 3.313 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000465114201 502194441 /nfs/dbraw/zinc/19/44/41/502194441.db2.gz LNXJETKQUDBXTN-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM Cc1ccc(NC(=O)CCCC#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000461912560 502233658 /nfs/dbraw/zinc/23/36/58/502233658.db2.gz CIHHFKDJKDGMEW-UHFFFAOYSA-N -1 1 357.435 3.428 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Nc2cnn(C)c2)c1 ZINC000475736091 502273140 /nfs/dbraw/zinc/27/31/40/502273140.db2.gz XJDGXSPWLXTABL-UHFFFAOYSA-N -1 1 367.434 3.145 20 30 FGEDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475785501 502291127 /nfs/dbraw/zinc/29/11/27/502291127.db2.gz DQVMHVWHZPFRPH-UHFFFAOYSA-N -1 1 371.462 3.000 20 30 FGEDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2O1 ZINC000475808696 502297638 /nfs/dbraw/zinc/29/76/38/502297638.db2.gz JRQOOWKREJZIFR-SFHVURJKSA-N -1 1 358.419 3.451 20 30 FGEDMM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC000475814017 502299036 /nfs/dbraw/zinc/29/90/36/502299036.db2.gz PSDWQNNMTURPRW-UHFFFAOYSA-N -1 1 374.418 3.039 20 30 FGEDMM Cn1cc([C@H]([N-]C(=O)c2cc(F)c(F)c(F)c2F)C(F)(F)F)cn1 ZINC000487734420 502517237 /nfs/dbraw/zinc/51/72/37/502517237.db2.gz CETIGBSITFKYJA-NSHDSACASA-N -1 1 355.213 3.010 20 30 FGEDMM COc1ccc(-c2nnc([N-]C(=O)c3ncc(C#N)cc3Cl)s2)cc1 ZINC000477410177 502767129 /nfs/dbraw/zinc/76/71/29/502767129.db2.gz DRYBEUVKZPTTQG-UHFFFAOYSA-N -1 1 371.809 3.386 20 30 FGEDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000467134486 502798599 /nfs/dbraw/zinc/79/85/99/502798599.db2.gz XANANUKZLVFNNY-NSHDSACASA-N -1 1 366.389 3.275 20 30 FGEDMM Cc1cccc2nc(C(C#N)=C([O-])c3cn(-c4ccc(F)cc4C)nn3)[nH]c21 ZINC000503404788 503401907 /nfs/dbraw/zinc/40/19/07/503401907.db2.gz YHANPIQXBRHDCT-AWEZNQCLSA-N -1 1 374.379 3.390 20 30 FGEDMM C=CC[C@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000495024868 503650012 /nfs/dbraw/zinc/65/00/12/503650012.db2.gz FRXPTHUEZDZNQK-INIZCTEOSA-N -1 1 374.462 3.365 20 30 FGEDMM N#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000536725645 503698150 /nfs/dbraw/zinc/69/81/50/503698150.db2.gz NZZRMBJQMWFINP-CYBMUJFWSA-N -1 1 354.259 3.425 20 30 FGEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2COCC3)cc1 ZINC000527593827 503846405 /nfs/dbraw/zinc/84/64/05/503846405.db2.gz YUTGXMVJZIKJRG-OAHLLOKOSA-N -1 1 367.405 3.051 20 30 FGEDMM CSc1[n-]c(=O)c(C(=O)Nc2cccc3ccc(O)cc32)cc1C#N ZINC000541157281 504025619 /nfs/dbraw/zinc/02/56/19/504025619.db2.gz CXUSGJOFKYRUKE-UHFFFAOYSA-N -1 1 351.387 3.492 20 30 FGEDMM C=CCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000519090430 504137841 /nfs/dbraw/zinc/13/78/41/504137841.db2.gz LQEZIVWDOUIEPF-UHFFFAOYSA-N -1 1 374.462 3.245 20 30 FGEDMM Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553535981 504942786 /nfs/dbraw/zinc/94/27/86/504942786.db2.gz BIMIOJMECKKJBD-DOTOQJQBSA-N -1 1 360.435 3.128 20 30 FGEDMM C[C@@H](Cc1ccccc1C(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557834420 505241592 /nfs/dbraw/zinc/24/15/92/505241592.db2.gz RHAUHWJJJSORBW-JTQLQIEISA-N -1 1 358.341 3.080 20 30 FGEDMM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000567356746 505440079 /nfs/dbraw/zinc/44/00/79/505440079.db2.gz UVJPDHLYYLJAPQ-UHFFFAOYSA-N -1 1 374.890 3.437 20 30 FGEDMM COc1ccccc1[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)OC(C)C ZINC000589205147 506483587 /nfs/dbraw/zinc/48/35/87/506483587.db2.gz MYNKKISDWLLHRJ-IBGZPJMESA-N -1 1 354.406 3.169 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000589209313 506485349 /nfs/dbraw/zinc/48/53/49/506485349.db2.gz NQUXMAXDXPTOJZ-KRWDZBQOSA-N -1 1 360.772 3.270 20 30 FGEDMM Cc1[n-][nH]c(=O)c1NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000597690750 507061338 /nfs/dbraw/zinc/06/13/38/507061338.db2.gz DFJBGVVTFBQGMN-UHFFFAOYSA-N -1 1 373.844 3.194 20 30 FGEDMM CCc1csc(CC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)n1 ZINC000594397449 507112970 /nfs/dbraw/zinc/11/29/70/507112970.db2.gz IGARUFNINJJQTF-UHFFFAOYSA-N -1 1 355.463 3.378 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F ZINC000594481872 507149408 /nfs/dbraw/zinc/14/94/08/507149408.db2.gz YYTMEAAGCHZLAV-AWEZNQCLSA-N -1 1 374.340 3.050 20 30 FGEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(I)ccc1[O-] ZINC000598422179 507417933 /nfs/dbraw/zinc/41/79/33/507417933.db2.gz YUYXEPLSCMNWRI-TXEJJXNPSA-N -1 1 369.202 3.320 20 30 FGEDMM COc1ccccc1CC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614298529 507445764 /nfs/dbraw/zinc/44/57/64/507445764.db2.gz RVJPUXXMWKTOJP-UHFFFAOYSA-N -1 1 350.418 3.367 20 30 FGEDMM CCCNC(=O)c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000614365511 507481740 /nfs/dbraw/zinc/48/17/40/507481740.db2.gz PNXBBVLDUWIFTG-UHFFFAOYSA-N -1 1 357.797 3.309 20 30 FGEDMM COC1(CS(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)CCC1 ZINC000601974977 507535589 /nfs/dbraw/zinc/53/55/89/507535589.db2.gz FLRJREWVHMULOY-ZDUSSCGKSA-N -1 1 354.497 3.392 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)C(C)C ZINC000592351025 507613266 /nfs/dbraw/zinc/61/32/66/507613266.db2.gz MVZDYTVTJBZTBR-UKRRQHHQSA-N -1 1 356.513 3.351 20 30 FGEDMM C=CCCSCCNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000595722701 507647000 /nfs/dbraw/zinc/64/70/00/507647000.db2.gz GGDBYICQHCAAPS-UHFFFAOYSA-N -1 1 362.495 3.306 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735410201 599203689 /nfs/dbraw/zinc/20/36/89/599203689.db2.gz WXVDFMNWSYCIPK-GFCCVEGCSA-N -1 1 367.384 3.493 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735410201 599203692 /nfs/dbraw/zinc/20/36/92/599203692.db2.gz WXVDFMNWSYCIPK-GFCCVEGCSA-N -1 1 367.384 3.493 20 30 FGEDMM CCc1nc(C)c(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)s1 ZINC000736699230 599220528 /nfs/dbraw/zinc/22/05/28/599220528.db2.gz LQFWJBLZLMGEAS-UHFFFAOYSA-N -1 1 374.474 3.217 20 30 FGEDMM Cc1ccc2c(c1)C(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)CC2 ZINC000737371854 598492776 /nfs/dbraw/zinc/49/27/76/598492776.db2.gz NNYNDDFTVZFYLL-UHFFFAOYSA-N -1 1 351.414 3.124 20 30 FGEDMM CCC[C@](C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736961355 600156075 /nfs/dbraw/zinc/15/60/75/600156075.db2.gz AJRNYTCIODZVIX-SFHVURJKSA-N -1 1 363.483 3.060 20 30 FGEDMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCC(C)(C)C#N)CC2 ZINC000832102350 601112794 /nfs/dbraw/zinc/11/27/94/601112794.db2.gz AHSHDRZGAJGCBU-INIZCTEOSA-N -1 1 360.454 3.408 20 30 FGEDMM N#Cc1cccc([C@H](NCc2cccnc2OC2CCCC2)C(=O)[O-])c1 ZINC000833076180 601301427 /nfs/dbraw/zinc/30/14/27/601301427.db2.gz RPJJMDUFLLJNLO-SFHVURJKSA-N -1 1 351.406 3.190 20 30 FGEDMM O=C([O-])CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCO1 ZINC000833232176 601419879 /nfs/dbraw/zinc/41/98/79/601419879.db2.gz SYVPXWNEFZNPJR-MRXNPFEDSA-N -1 1 355.356 3.013 20 30 FGEDMM N#CC(C(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000831065105 604215414 /nfs/dbraw/zinc/21/54/14/604215414.db2.gz OZXMUHLPCCAHPS-IRXDYDNUSA-N -1 1 359.385 3.462 20 30 FGEDMM C#CC[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1 ZINC000833361226 605133875 /nfs/dbraw/zinc/13/38/75/605133875.db2.gz YRQUEQVRPOHGEK-OAHLLOKOSA-N -1 1 368.458 3.228 20 30 FGEDMM C[C@@H]1Cc2ccccc2C1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820813210 606203654 /nfs/dbraw/zinc/20/36/54/606203654.db2.gz AWJVDHNKIRNLBQ-SNVBAGLBSA-N -1 1 351.414 3.161 20 30 FGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccccc1 ZINC000822015538 606389341 /nfs/dbraw/zinc/38/93/41/606389341.db2.gz MGDADUZKUPFRMT-VQHVLOKHSA-N -1 1 362.418 3.318 20 30 FGEDMM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000825615877 608092611 /nfs/dbraw/zinc/09/26/11/608092611.db2.gz OFIPVLHUTLCEEZ-GQCTYLIASA-N -1 1 356.407 3.232 20 30 FGEDMM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000825615877 608092612 /nfs/dbraw/zinc/09/26/12/608092612.db2.gz OFIPVLHUTLCEEZ-GQCTYLIASA-N -1 1 356.407 3.232 20 30 FGEDMM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824034663 608093528 /nfs/dbraw/zinc/09/35/28/608093528.db2.gz MPBLWWOWEDLJEG-TZOMUSMUSA-N -1 1 351.391 3.115 20 30 FGEDMM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824034663 608093529 /nfs/dbraw/zinc/09/35/29/608093529.db2.gz MPBLWWOWEDLJEG-TZOMUSMUSA-N -1 1 351.391 3.115 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3cccc(F)c23)o1 ZINC000824352618 608109905 /nfs/dbraw/zinc/10/99/05/608109905.db2.gz KODWXSMDWFTCSY-UHFFFAOYSA-N -1 1 354.349 3.045 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)O[C@@H](C)C#N)c2)cc1F ZINC000023417031 695661909 /nfs/dbraw/zinc/66/19/09/695661909.db2.gz IGPGBIQTELQJKN-LBPRGKRZSA-N -1 1 362.382 3.004 20 30 FGEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C)C#N)cc1 ZINC000023416734 695661969 /nfs/dbraw/zinc/66/19/69/695661969.db2.gz DNMOLCULWCKKSW-NSHDSACASA-N -1 1 362.382 3.004 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OC(F)F)c(=O)o1 ZINC000044013278 695800036 /nfs/dbraw/zinc/80/00/36/695800036.db2.gz ZTHOCIHNVATUPG-KWEXDPCDSA-N -1 1 356.708 3.170 20 30 FGEDMM C#CCN(Cc1ccc(F)cc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319600 700602462 /nfs/dbraw/zinc/60/24/62/700602462.db2.gz LNXMTQOUHVZROH-UHFFFAOYSA-N -1 1 353.426 3.235 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1N1CCSCC1 ZINC000133819122 704805989 /nfs/dbraw/zinc/80/59/89/704805989.db2.gz VSVPZLYMQGUGMB-UHFFFAOYSA-N -1 1 373.503 3.221 20 30 FGEDMM CS[C@@H](C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156224873 705106869 /nfs/dbraw/zinc/10/68/69/705106869.db2.gz XCWGSBUVOVSMNU-ONGXEEELSA-N -1 1 361.492 3.181 20 30 FGEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000179611104 705706956 /nfs/dbraw/zinc/70/69/56/705706956.db2.gz MWPWAXRZFUFZAJ-LBPRGKRZSA-N -1 1 363.826 3.213 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCc3sc(Br)cc3C2)cc1[O-] ZINC000615482695 714531184 /nfs/dbraw/zinc/53/11/84/714531184.db2.gz POBYXFGHCVLHPP-UHFFFAOYSA-N -1 1 363.236 3.286 20 30 FGEDMM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000726732682 722437375 /nfs/dbraw/zinc/43/73/75/722437375.db2.gz JNYPTRTXFIBHRC-CYBMUJFWSA-N -1 1 352.781 3.486 20 30 FGEDMM COc1ccc(NC(=S)NN=C(C)c2ccc(F)cc2[O-])cc1F ZINC000727778593 722447329 /nfs/dbraw/zinc/44/73/29/722447329.db2.gz BERVIILWSFNRGU-UHFFFAOYSA-N -1 1 351.378 3.390 20 30 FGEDMM N#CCCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000733866976 722501556 /nfs/dbraw/zinc/50/15/56/722501556.db2.gz QIZLEQTYTATOQJ-UHFFFAOYSA-N -1 1 358.419 3.338 20 30 FGEDMM C=C(Cl)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000736245026 722522383 /nfs/dbraw/zinc/52/23/83/722522383.db2.gz CHENIFQEJUOCFS-UHFFFAOYSA-N -1 1 368.817 3.109 20 30 FGEDMM C=C(Cl)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000736688409 722524177 /nfs/dbraw/zinc/52/41/77/722524177.db2.gz KLOOYRNGTYOMPV-UHFFFAOYSA-N -1 1 366.751 3.405 20 30 FGEDMM C#CCSCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000739987410 722534614 /nfs/dbraw/zinc/53/46/14/722534614.db2.gz PLLFHUVLQFOFQP-UHFFFAOYSA-N -1 1 358.699 3.292 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000741162530 722543231 /nfs/dbraw/zinc/54/32/31/722543231.db2.gz GAUHIGXTVXLZNQ-AWEZNQCLSA-N -1 1 357.410 3.188 20 30 FGEDMM CC#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000744622611 722578964 /nfs/dbraw/zinc/57/89/64/722578964.db2.gz FKWVXZNWBBHZRX-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(C)C)cc1 ZINC000748248361 722681490 /nfs/dbraw/zinc/68/14/90/722681490.db2.gz MFLANWYQTVRSPD-UHFFFAOYSA-N -1 1 361.423 3.421 20 30 FGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000755599291 722954795 /nfs/dbraw/zinc/95/47/95/722954795.db2.gz ABBMPGMHNJIWON-LREOWRDNSA-N -1 1 370.348 3.466 20 30 FGEDMM COc1ccc(CCNN=Cc2cc(O)c([O-])c(Br)c2)cc1 ZINC000757585105 722977304 /nfs/dbraw/zinc/97/73/04/722977304.db2.gz XLKLNQWQLRWLDA-UHFFFAOYSA-N -1 1 365.227 3.035 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000790337891 723128311 /nfs/dbraw/zinc/12/83/11/723128311.db2.gz AWYLOJGBBZWXSC-UHFFFAOYSA-N -1 1 371.336 3.240 20 30 FGEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000765398004 723510041 /nfs/dbraw/zinc/51/00/41/723510041.db2.gz BIGHBLYRNJLFBD-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM CC[C@H]1CC[C@@H](C)CC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000797402066 723812104 /nfs/dbraw/zinc/81/21/04/723812104.db2.gz SOYLQNVBKHQVKL-OCCSQVGLSA-N -1 1 353.444 3.216 20 30 FGEDMM [O-]c1c(C=NNC(=S)NC[C@@H]2CCCO2)cc(Cl)c2ccccc12 ZINC000774573211 723907668 /nfs/dbraw/zinc/90/76/68/723907668.db2.gz LGTCBAFNQVHLGV-LBPRGKRZSA-N -1 1 363.870 3.176 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Br)ncc1C ZINC000775216106 723971881 /nfs/dbraw/zinc/97/18/81/723971881.db2.gz OYUJZGMASDEPOU-UHFFFAOYSA-N -1 1 366.240 3.133 20 30 FGEDMM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778828618 724365973 /nfs/dbraw/zinc/36/59/73/724365973.db2.gz YKXAYJPCLZPDRL-LLVKDONJSA-N -1 1 370.243 3.125 20 30 FGEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1csc(Cl)c1 ZINC000786449727 724979972 /nfs/dbraw/zinc/97/99/72/724979972.db2.gz STPLZMVTMKMFLQ-LLVKDONJSA-N -1 1 362.794 3.134 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812527429 725399354 /nfs/dbraw/zinc/39/93/54/725399354.db2.gz QWULBQCXGCTKHG-ZDUSSCGKSA-N -1 1 368.773 3.040 20 30 FGEDMM C=CCC1(C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000819514915 727380510 /nfs/dbraw/zinc/38/05/10/727380510.db2.gz SUJWCDZDRVJARL-UHFFFAOYSA-N -1 1 354.244 3.144 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F ZINC000837124484 729995757 /nfs/dbraw/zinc/99/57/57/729995757.db2.gz GVZNHVINWTYGPI-VIFPVBQESA-N -1 1 360.323 3.160 20 30 FGEDMM N#Cc1ccc(C2(NC(=O)c3c([O-])cccc3Cl)CCOCC2)cc1 ZINC000863053003 732911127 /nfs/dbraw/zinc/91/11/27/732911127.db2.gz MURHENFDKVJPNP-UHFFFAOYSA-N -1 1 356.809 3.353 20 30 FGEDMM CCOCc1nc(Cl)cc(NN=C(C)c2csc(C(=O)[O-])c2)n1 ZINC000901313326 743251513 /nfs/dbraw/zinc/25/15/13/743251513.db2.gz GVLXAQDMLWZFDM-UHFFFAOYSA-N -1 1 354.819 3.262 20 30 FGEDMM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000901650670 743610466 /nfs/dbraw/zinc/61/04/66/743610466.db2.gz MNMJSDPMQQFXOJ-AWEZNQCLSA-N -1 1 356.447 3.134 20 30 FGEDMM CC#CC[C@H](NCc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC000904057765 743921639 /nfs/dbraw/zinc/92/16/39/743921639.db2.gz BHBBELICJHOLKN-INIZCTEOSA-N -1 1 359.857 3.407 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(-c3ccccc3)o2)c2ccccc21 ZINC000917547879 758236114 /nfs/dbraw/zinc/23/61/14/758236114.db2.gz FPAPTOBPEJLBFQ-UHFFFAOYSA-N -1 1 351.387 3.019 20 30 FGEDMM Cc1cc(Br)c2c(c1)C(=NNc1nc(C)cc(=O)[n-]1)CCO2 ZINC000920359450 758541768 /nfs/dbraw/zinc/54/17/68/758541768.db2.gz NKJMFIACOLFZIO-UHFFFAOYSA-N -1 1 363.215 3.160 20 30 FGEDMM C=C(C)c1cccc(NC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000934885449 761739750 /nfs/dbraw/zinc/73/97/50/761739750.db2.gz KPMFDCIGCASFMK-MRXNPFEDSA-N -1 1 355.360 3.395 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCC#N)c2)c1 ZINC000069648998 493992498 /nfs/dbraw/zinc/99/24/98/493992498.db2.gz PXAZBUQDLFWBNE-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000012647400 494249678 /nfs/dbraw/zinc/24/96/78/494249678.db2.gz HIXURDGNZTYFLI-UHFFFAOYSA-N -1 1 370.459 3.244 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000055640119 494379429 /nfs/dbraw/zinc/37/94/29/494379429.db2.gz XKRZGKVYTQEDKA-UHFFFAOYSA-N -1 1 373.434 3.128 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000103155368 495199364 /nfs/dbraw/zinc/19/93/64/495199364.db2.gz WPILDJXJIJDYOA-CQSZACIVSA-N -1 1 358.316 3.279 20 30 FGEDMM CCC(CC)CN(CCC#N)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000104547221 495289747 /nfs/dbraw/zinc/28/97/47/495289747.db2.gz IJRCQFVTWGPDTF-UHFFFAOYSA-N -1 1 371.485 3.163 20 30 FGEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000120549586 495403219 /nfs/dbraw/zinc/40/32/19/495403219.db2.gz WDVPUIPIYWNVOM-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(F)c1 ZINC000130510701 495403548 /nfs/dbraw/zinc/40/35/48/495403548.db2.gz JTKFGDZFYHRNJX-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)no1 ZINC000114673785 495407375 /nfs/dbraw/zinc/40/73/75/495407375.db2.gz RJXZAXJCRGPEEW-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1Cl ZINC000114673781 495407934 /nfs/dbraw/zinc/40/79/34/495407934.db2.gz QIXFHLNQJXBPGF-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000125279987 495418893 /nfs/dbraw/zinc/41/88/93/495418893.db2.gz GGJRBRJJYVJMKG-UHFFFAOYSA-N -1 1 359.451 3.416 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000125585353 495466657 /nfs/dbraw/zinc/46/66/57/495466657.db2.gz CHPGFIWJDJJHDR-UHFFFAOYSA-N -1 1 367.386 3.204 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000154211589 495545539 /nfs/dbraw/zinc/54/55/39/495545539.db2.gz UAJDIIMNYQEXNK-CQSZACIVSA-N -1 1 374.462 3.190 20 30 FGEDMM CC[C@H](CC#N)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000158706876 495572160 /nfs/dbraw/zinc/57/21/60/495572160.db2.gz GWXYVLVMPGMWJN-CQSZACIVSA-N -1 1 372.450 3.301 20 30 FGEDMM N#CCCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000170902520 495648405 /nfs/dbraw/zinc/64/84/05/495648405.db2.gz GJVLOMZUYXCXPL-UHFFFAOYSA-N -1 1 373.359 3.346 20 30 FGEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC000183087352 495829471 /nfs/dbraw/zinc/82/94/71/495829471.db2.gz ZTDVPRUJKPHGFQ-UHFFFAOYSA-N -1 1 358.753 3.299 20 30 FGEDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]n1 ZINC000159941681 495846921 /nfs/dbraw/zinc/84/69/21/495846921.db2.gz WJGVXZGTMVYHFF-UHFFFAOYSA-N -1 1 372.372 3.444 20 30 FGEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000161156053 496115633 /nfs/dbraw/zinc/11/56/33/496115633.db2.gz VQSUZAJNVCNDCY-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(C)c1F ZINC000181344044 496361129 /nfs/dbraw/zinc/36/11/29/496361129.db2.gz CINKOXDWJMLRMC-UHFFFAOYSA-N -1 1 354.790 3.469 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncccc2Br)ccc1Cl ZINC000178797637 496575581 /nfs/dbraw/zinc/57/55/81/496575581.db2.gz IHRIYHDAIRHMJQ-UHFFFAOYSA-N -1 1 372.631 3.170 20 30 FGEDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000175970533 496623618 /nfs/dbraw/zinc/62/36/18/496623618.db2.gz VBPVZDVCCSIGOR-UHFFFAOYSA-N -1 1 368.418 3.280 20 30 FGEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000191568012 496815746 /nfs/dbraw/zinc/81/57/46/496815746.db2.gz YUCRIKBCGNANQC-UHFFFAOYSA-N -1 1 358.463 3.438 20 30 FGEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)n1 ZINC000191606243 496829611 /nfs/dbraw/zinc/82/96/11/496829611.db2.gz WMDHVJIIUQDXJE-NSHDSACASA-N -1 1 359.411 3.315 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000188619282 496853623 /nfs/dbraw/zinc/85/36/23/496853623.db2.gz FPRBXWLFLHHVLY-JTQLQIEISA-N -1 1 368.780 3.458 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1[O-] ZINC000189048419 496991067 /nfs/dbraw/zinc/99/10/67/496991067.db2.gz RVLIZFOKATUQFY-KRWDZBQOSA-N -1 1 374.343 3.079 20 30 FGEDMM Cc1c([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cnn1-c1ccc(F)cc1 ZINC000190314350 497433228 /nfs/dbraw/zinc/43/32/28/497433228.db2.gz FAZGOHPNWJOCHQ-GFCCVEGCSA-N -1 1 364.380 3.388 20 30 FGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000267554447 497577034 /nfs/dbraw/zinc/57/70/34/497577034.db2.gz YXRKHAFIAJXZDH-QGZVFWFLSA-N -1 1 371.462 3.155 20 30 FGEDMM CC(C)(C#N)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000194143024 497586323 /nfs/dbraw/zinc/58/63/23/497586323.db2.gz NQOKNBZHCDTFHK-UHFFFAOYSA-N -1 1 350.421 3.048 20 30 FGEDMM CCOc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1OC(F)F ZINC000190736461 497589309 /nfs/dbraw/zinc/58/93/09/497589309.db2.gz KVIRZGIYWYUAAV-UHFFFAOYSA-N -1 1 362.332 3.194 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000267764009 497613747 /nfs/dbraw/zinc/61/37/47/497613747.db2.gz NXKLIBKMUPWUJG-GFCCVEGCSA-N -1 1 360.439 3.028 20 30 FGEDMM Cc1nnsc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000194771940 497766232 /nfs/dbraw/zinc/76/62/32/497766232.db2.gz RGVXAXUARRHXQK-UHFFFAOYSA-N -1 1 374.476 3.114 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000329752581 497889921 /nfs/dbraw/zinc/88/99/21/497889921.db2.gz WHYHMFZORCFKGB-HZSPNIEDSA-N -1 1 366.483 3.495 20 30 FGEDMM COc1cc(C(=O)NCC(=O)N(C)C2CCCCC2)cc(Cl)c1[O-] ZINC000331267431 498289548 /nfs/dbraw/zinc/28/95/48/498289548.db2.gz ILRPAMHRTTZKBP-UHFFFAOYSA-N -1 1 354.834 3.150 20 30 FGEDMM N#CCC1(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000331967382 498517125 /nfs/dbraw/zinc/51/71/25/498517125.db2.gz VYBMEQCZDKAGEA-UHFFFAOYSA-N -1 1 369.693 3.136 20 30 FGEDMM COc1cccc(C2(F)CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000332339617 498655749 /nfs/dbraw/zinc/65/57/49/498655749.db2.gz DSFASYWXGXFVQS-UHFFFAOYSA-N -1 1 354.381 3.373 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]c1-c1ccncc1 ZINC000367008271 499133293 /nfs/dbraw/zinc/13/32/93/499133293.db2.gz WYTXBZLNQONZPK-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM Cc1cccnc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429345563 500056311 /nfs/dbraw/zinc/05/63/11/500056311.db2.gz QRRQFTHOXQMPGF-GFCCVEGCSA-N -1 1 364.430 3.469 20 30 FGEDMM C=CCc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc(OC)c1O ZINC000417698244 500150883 /nfs/dbraw/zinc/15/08/83/500150883.db2.gz GCRRLKXVCHXVIB-UHFFFAOYSA-N -1 1 368.433 3.390 20 30 FGEDMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427131377 500357071 /nfs/dbraw/zinc/35/70/71/500357071.db2.gz QTVWZVDKKLWNMH-UHFFFAOYSA-N -1 1 361.398 3.093 20 30 FGEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)[nH]n2)c1 ZINC000427239036 500371909 /nfs/dbraw/zinc/37/19/09/500371909.db2.gz MLVMKVQEBAAEQH-UHFFFAOYSA-N -1 1 367.434 3.069 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432761681 500559307 /nfs/dbraw/zinc/55/93/07/500559307.db2.gz AUVLWFUZBRNSJM-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM C=CCNC(=O)c1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000443332006 500711374 /nfs/dbraw/zinc/71/13/74/500711374.db2.gz GBYMCMIARWBENH-UHFFFAOYSA-N -1 1 360.797 3.222 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)cc1C ZINC000435716391 501016673 /nfs/dbraw/zinc/01/66/73/501016673.db2.gz VBCCHCQFDAPWRG-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)ccc1C#N ZINC000435717260 501016850 /nfs/dbraw/zinc/01/68/50/501016850.db2.gz KZZYYSWKDUXYLH-UHFFFAOYSA-N -1 1 356.432 3.186 20 30 FGEDMM CCOC(=O)c1csc(=NC2CCC(Oc3ccccc3C#N)CC2)[n-]1 ZINC000450336137 501094137 /nfs/dbraw/zinc/09/41/37/501094137.db2.gz OPHKSIFTIVFGJW-UHFFFAOYSA-N -1 1 371.462 3.415 20 30 FGEDMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000446628233 501144708 /nfs/dbraw/zinc/14/47/08/501144708.db2.gz KORLCFICPYILHI-UHFFFAOYSA-N -1 1 364.448 3.416 20 30 FGEDMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 ZINC000436684126 501187794 /nfs/dbraw/zinc/18/77/94/501187794.db2.gz XVIHHEJWBWYHGJ-UHFFFAOYSA-N -1 1 356.353 3.106 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1C(=O)OC(C)C ZINC000451110250 501246527 /nfs/dbraw/zinc/24/65/27/501246527.db2.gz FFMLTVOERUEASK-UHFFFAOYSA-N -1 1 372.446 3.427 20 30 FGEDMM C=C(CC)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000452043734 501423685 /nfs/dbraw/zinc/42/36/85/501423685.db2.gz QHKZAJGSVXFNCF-UHFFFAOYSA-N -1 1 356.644 3.486 20 30 FGEDMM C=CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000468393813 502045125 /nfs/dbraw/zinc/04/51/25/502045125.db2.gz DNYXRTQICOYLRY-UHFFFAOYSA-N -1 1 358.463 3.492 20 30 FGEDMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2nn1C ZINC000461339747 502075557 /nfs/dbraw/zinc/07/55/57/502075557.db2.gz KYIWCVWGVQIVEK-UHFFFAOYSA-N -1 1 360.826 3.208 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000465100740 502191041 /nfs/dbraw/zinc/19/10/41/502191041.db2.gz CNEDQHHLDJYGLX-AWEZNQCLSA-N -1 1 358.463 3.409 20 30 FGEDMM CC(C)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1nc(C2CC2)no1 ZINC000475798738 502294331 /nfs/dbraw/zinc/29/43/31/502294331.db2.gz QOJJMRLFQBUUJC-AWEZNQCLSA-N -1 1 366.487 3.038 20 30 FGEDMM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476215645 502416701 /nfs/dbraw/zinc/41/67/01/502416701.db2.gz HJEIAGPAKSJMCT-OAHLLOKOSA-N -1 1 372.531 3.138 20 30 FGEDMM CCCc1cc(=O)[n-]c(S[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000484710233 502716418 /nfs/dbraw/zinc/71/64/18/502716418.db2.gz AOVQXUQIFOOQKQ-INIZCTEOSA-N -1 1 368.462 3.294 20 30 FGEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000512963948 502822153 /nfs/dbraw/zinc/82/21/53/502822153.db2.gz KLHVTAXRROPSAF-CQSZACIVSA-N -1 1 363.402 3.186 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cc1C#N ZINC000489639622 503002920 /nfs/dbraw/zinc/00/29/20/503002920.db2.gz NXYHEAQNUGKADT-CQSZACIVSA-N -1 1 361.389 3.051 20 30 FGEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1C ZINC000506721324 503160254 /nfs/dbraw/zinc/16/02/54/503160254.db2.gz ZXISLWVIQPBLKW-UHFFFAOYSA-N -1 1 358.419 3.039 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000515248157 503301613 /nfs/dbraw/zinc/30/16/13/503301613.db2.gz WSPJXWRLBPONDX-UHFFFAOYSA-N -1 1 374.437 3.030 20 30 FGEDMM Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc(C(=O)[O-])c1 ZINC000507582157 503326682 /nfs/dbraw/zinc/32/66/82/503326682.db2.gz LGUVRQMFWQMNQR-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000493133117 503408651 /nfs/dbraw/zinc/40/86/51/503408651.db2.gz ONVALTAUVKRPNI-UHFFFAOYSA-N -1 1 369.368 3.444 20 30 FGEDMM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000504027793 503512488 /nfs/dbraw/zinc/51/24/88/503512488.db2.gz YMIKMNPAXHDWDK-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1F ZINC000530144179 503851583 /nfs/dbraw/zinc/85/15/83/503851583.db2.gz FNSQUDBXLHEPGG-UHFFFAOYSA-N -1 1 360.410 3.392 20 30 FGEDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCC1 ZINC000547470385 504117633 /nfs/dbraw/zinc/11/76/33/504117633.db2.gz CVDUFJKDUISWCL-UHFFFAOYSA-N -1 1 370.515 3.034 20 30 FGEDMM N#CCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000542260343 504426985 /nfs/dbraw/zinc/42/69/85/504426985.db2.gz ZTZRZOZBXYOJDH-UHFFFAOYSA-N -1 1 360.395 3.111 20 30 FGEDMM C=CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1 ZINC000539092953 504470638 /nfs/dbraw/zinc/47/06/38/504470638.db2.gz HASBKVQMKMPPFK-UHFFFAOYSA-N -1 1 374.437 3.417 20 30 FGEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000542673188 504573074 /nfs/dbraw/zinc/57/30/74/504573074.db2.gz JMIKMIMNMRGLIO-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cc(F)c(F)cc2Br)cc1[O-] ZINC000553584618 504956925 /nfs/dbraw/zinc/95/69/25/504956925.db2.gz QTUNLLLQAAUPRH-UHFFFAOYSA-N -1 1 367.149 3.235 20 30 FGEDMM C[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557813313 505237103 /nfs/dbraw/zinc/23/71/03/505237103.db2.gz AOTICVWJUPSPDF-SECBINFHSA-N -1 1 359.234 3.368 20 30 FGEDMM C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589168360 506467354 /nfs/dbraw/zinc/46/73/54/506467354.db2.gz UPEBTTOUXNCWAR-AWEZNQCLSA-N -1 1 369.852 3.436 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c(F)c1 ZINC000583180786 506631581 /nfs/dbraw/zinc/63/15/81/506631581.db2.gz HJQMNJPIEBQHKU-UHFFFAOYSA-N -1 1 364.785 3.280 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1-c1cccc(Cl)c1 ZINC000612623878 506656422 /nfs/dbraw/zinc/65/64/22/506656422.db2.gz UOJPQAFEBCTNDI-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc(Cl)c2O1 ZINC000583413772 506764645 /nfs/dbraw/zinc/76/46/45/506764645.db2.gz VZWZTAUORIUEND-VIFPVBQESA-N -1 1 366.801 3.475 20 30 FGEDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000583830312 506998765 /nfs/dbraw/zinc/99/87/65/506998765.db2.gz UDOXYAVYCSDSDP-JDNHERCYSA-N -1 1 366.801 3.151 20 30 FGEDMM CSc1nc(C)c(CCC(=O)NC(C)(C)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000597950836 507195276 /nfs/dbraw/zinc/19/52/76/507195276.db2.gz GAENRFROZJLZRC-UHFFFAOYSA-N -1 1 370.478 3.068 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000614293462 507443657 /nfs/dbraw/zinc/44/36/57/507443657.db2.gz HUJCJNAMKUAANP-QGZVFWFLSA-N -1 1 350.374 3.012 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(OC(C)C)c1 ZINC000601979053 507536426 /nfs/dbraw/zinc/53/64/26/507536426.db2.gz BWZCJSSGFKRWJD-LLVKDONJSA-N -1 1 361.261 3.280 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3ccc(Br)cc3C2)c1 ZINC000586827840 507686422 /nfs/dbraw/zinc/68/64/22/507686422.db2.gz LHCXMACXGSMALM-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cc1[O-] ZINC000588104481 507763705 /nfs/dbraw/zinc/76/37/05/507763705.db2.gz LVHAKMMUVOIKQF-FUHWJXTLSA-N -1 1 358.344 3.272 20 30 FGEDMM Cc1cc(=NN=Cc2ccc(-c3nnn[n-]3)o2)[nH]c2ccc(Cl)cc12 ZINC000822209744 599335402 /nfs/dbraw/zinc/33/54/02/599335402.db2.gz UYQDGTLXRMTNJR-UHFFFAOYSA-N -1 1 353.773 3.416 20 30 FGEDMM Cc1cc(=NN=Cc2ccc(-c3nn[n-]n3)o2)[nH]c2ccc(Cl)cc12 ZINC000822209744 599335403 /nfs/dbraw/zinc/33/54/03/599335403.db2.gz UYQDGTLXRMTNJR-UHFFFAOYSA-N -1 1 353.773 3.416 20 30 FGEDMM N#Cc1ccc([C@@H](NCc2cccnc2OC2CCCC2)C(=O)[O-])cc1 ZINC000739106660 600594193 /nfs/dbraw/zinc/59/41/93/600594193.db2.gz OGGPFDHMGKBPCK-GOSISDBHSA-N -1 1 351.406 3.190 20 30 FGEDMM CCCC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829184742 601300865 /nfs/dbraw/zinc/30/08/65/601300865.db2.gz OYUCZRRXRGWTDH-LJQANCHMSA-N -1 1 351.406 3.212 20 30 FGEDMM C=CCn1c(=O)[nH]nc1S[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825711161 601863049 /nfs/dbraw/zinc/86/30/49/601863049.db2.gz RRMZQIPXUQDQCS-JTQLQIEISA-N -1 1 360.222 3.395 20 30 FGEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(-n2cncn2)cc1 ZINC000833386382 605156025 /nfs/dbraw/zinc/15/60/25/605156025.db2.gz AUUHIUYLFDZCIU-UHFFFAOYSA-N -1 1 355.785 3.455 20 30 FGEDMM C=CCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833380908 605262842 /nfs/dbraw/zinc/26/28/42/605262842.db2.gz SKZLEDNFSQJWNW-SNVBAGLBSA-N -1 1 359.329 3.107 20 30 FGEDMM N#CC(C(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccc2ccccc2n1 ZINC000833960769 605948345 /nfs/dbraw/zinc/94/83/45/605948345.db2.gz KSRYDJMLGOIGRS-APWZRJJASA-N -1 1 359.385 3.290 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccccc2C2CC2)o1 ZINC000819965600 606203216 /nfs/dbraw/zinc/20/32/16/606203216.db2.gz JIHWNUZHHACVPZ-UHFFFAOYSA-N -1 1 351.414 3.476 20 30 FGEDMM Cc1c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000819783539 606765818 /nfs/dbraw/zinc/76/58/18/606765818.db2.gz YYPCFPNJAPWKLP-UHFFFAOYSA-N -1 1 370.373 3.031 20 30 FGEDMM Cc1ccc2c(c1)OCCCC2N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000822280404 606838343 /nfs/dbraw/zinc/83/83/43/606838343.db2.gz MJRLRSFQAAUKGP-UHFFFAOYSA-N -1 1 367.413 3.275 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2nc3c(s2)CCCC3)o1 ZINC000823962868 608053761 /nfs/dbraw/zinc/05/37/61/608053761.db2.gz QDFXVIRGPIUPHY-UHFFFAOYSA-N -1 1 372.458 3.150 20 30 FGEDMM COc1cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)ccc1F ZINC000826177867 608228839 /nfs/dbraw/zinc/22/88/39/608228839.db2.gz YUUKQRFSSBQWGP-UHFFFAOYSA-N -1 1 373.392 3.136 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C(F)F)o1 ZINC000824352383 608749047 /nfs/dbraw/zinc/74/90/47/608749047.db2.gz BQPKMLRTWSWUAZ-UHFFFAOYSA-N -1 1 361.356 3.254 20 30 FGEDMM CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000072042107 695959322 /nfs/dbraw/zinc/95/93/22/695959322.db2.gz YFCYNCGLOAKMGA-SOFGYWHQSA-N -1 1 365.838 3.192 20 30 FGEDMM C=CCCCN(C)C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000077108171 700246416 /nfs/dbraw/zinc/24/64/16/700246416.db2.gz ZCKHVQQAQCQUFI-UHFFFAOYSA-N -1 1 360.483 3.431 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)nc1 ZINC000110122023 700538702 /nfs/dbraw/zinc/53/87/02/700538702.db2.gz MGDANSYNJJVJFG-BQYQJAHWSA-N -1 1 364.224 3.128 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)[C@@H](CC)OCC)nc2C)n[n-]c1=S ZINC000110814286 700543668 /nfs/dbraw/zinc/54/36/68/700543668.db2.gz HSBVDFZAXMBALA-SNVBAGLBSA-N -1 1 367.500 3.312 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000122184028 700685779 /nfs/dbraw/zinc/68/57/79/700685779.db2.gz SLYNUKKJCJGIRX-HNNXBMFYSA-N -1 1 362.382 3.085 20 30 FGEDMM N#Cc1ccccc1SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000172680765 705426244 /nfs/dbraw/zinc/42/62/44/705426244.db2.gz LLFPJIZUIRPGIW-UHFFFAOYSA-N -1 1 362.357 3.208 20 30 FGEDMM N#Cc1cccc(OCCSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000193785181 713498951 /nfs/dbraw/zinc/49/89/51/713498951.db2.gz JQUFSKWPXRZSIR-UHFFFAOYSA-N -1 1 357.435 3.107 20 30 FGEDMM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000617419188 714654499 /nfs/dbraw/zinc/65/44/99/714654499.db2.gz SEPWVXGGBICLCK-UHFFFAOYSA-N -1 1 363.186 3.438 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619462094 714838192 /nfs/dbraw/zinc/83/81/92/714838192.db2.gz AKSRAJBNBNJSDN-UHFFFAOYSA-N -1 1 363.826 3.165 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=Nn2c(C)nc3ccccc3c2=O)c1 ZINC000781577070 724576137 /nfs/dbraw/zinc/57/61/37/724576137.db2.gz UEFBFHKBTSBFNJ-UHFFFAOYSA-N -1 1 372.222 3.364 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000782257669 724644560 /nfs/dbraw/zinc/64/45/60/724644560.db2.gz MKMOPUMIINMUPT-UHFFFAOYSA-N -1 1 354.387 3.154 20 30 FGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000783264580 724743212 /nfs/dbraw/zinc/74/32/12/724743212.db2.gz VOJHWNAXSZZZMK-ZDUSSCGKSA-N -1 1 358.419 3.238 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000746370020 722599929 /nfs/dbraw/zinc/59/99/29/722599929.db2.gz FQWNHQQMTMGSTN-CYBMUJFWSA-N -1 1 361.423 3.194 20 30 FGEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000748254636 722681854 /nfs/dbraw/zinc/68/18/54/722681854.db2.gz DIBOGJYRFZKIDI-UHFFFAOYSA-N -1 1 373.843 3.402 20 30 FGEDMM [O-]c1c(F)cccc1C=NN1C(=S)N=NC1COc1ccc(F)cc1 ZINC000755627595 722955210 /nfs/dbraw/zinc/95/52/10/722955210.db2.gz BKDJFFFXDYRDHG-UHFFFAOYSA-N -1 1 362.361 3.012 20 30 FGEDMM COc1cccc(NC(=S)NN=C(C)c2cc(F)cc(F)c2[O-])c1 ZINC000757451611 722976493 /nfs/dbraw/zinc/97/64/93/722976493.db2.gz VPYWFPVWRKQJPX-UHFFFAOYSA-N -1 1 351.378 3.390 20 30 FGEDMM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000757869115 722980604 /nfs/dbraw/zinc/98/06/04/722980604.db2.gz ACWJKIWXZWIKHG-UHFFFAOYSA-N -1 1 366.389 3.102 20 30 FGEDMM N#Cc1ccc(C(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000760722394 723086955 /nfs/dbraw/zinc/08/69/55/723086955.db2.gz QAIUQEXHUMCIJJ-OAHLLOKOSA-N -1 1 365.216 3.424 20 30 FGEDMM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000795333746 723582608 /nfs/dbraw/zinc/58/26/08/723582608.db2.gz FZLBNHRIEUWJBL-UHFFFAOYSA-N -1 1 368.817 3.366 20 30 FGEDMM COc1c([O-])c(C=NNc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-] ZINC000772995946 723774192 /nfs/dbraw/zinc/77/41/92/723774192.db2.gz FZSZGONMAOEHCY-UHFFFAOYSA-N -1 1 356.260 3.169 20 30 FGEDMM COc1c([O-])c(C=NNc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000773055443 723775499 /nfs/dbraw/zinc/77/54/99/723775499.db2.gz OJYNPOHNKXHAGX-UHFFFAOYSA-N -1 1 353.281 3.356 20 30 FGEDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000799921314 724113019 /nfs/dbraw/zinc/11/30/19/724113019.db2.gz KGNDQSHCLFNPTP-UHFFFAOYSA-N -1 1 356.325 3.392 20 30 FGEDMM Cc1[nH]c(CN=Nc2ccc([N+](=O)[O-])cc2Br)cc1C(=O)[O-] ZINC000800815845 724231032 /nfs/dbraw/zinc/23/10/32/724231032.db2.gz PZXJRAMUVSGJDK-UHFFFAOYSA-N -1 1 367.159 3.138 20 30 FGEDMM CC#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000785512682 724918675 /nfs/dbraw/zinc/91/86/75/724918675.db2.gz CTHWEWMNWMYNIX-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785088 725095116 /nfs/dbraw/zinc/09/51/16/725095116.db2.gz DJEHFHFGOPGFED-XEZPLFJOSA-N -1 1 353.388 3.030 20 30 FGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806485513 725130615 /nfs/dbraw/zinc/13/06/15/725130615.db2.gz UVXPVCMHLMOFDD-UHFFFAOYSA-N -1 1 361.858 3.277 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000810099720 725288636 /nfs/dbraw/zinc/28/86/36/725288636.db2.gz NERXXSJGTZXLOM-OAHLLOKOSA-N -1 1 366.776 3.143 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cn2ccc(Br)cc2n1 ZINC000811688456 725376847 /nfs/dbraw/zinc/37/68/47/725376847.db2.gz PHPPACRREXLRES-MKMNVTDBSA-N -1 1 357.163 3.419 20 30 FGEDMM COc1ccccc1C1N=NC(=S)N1N=Cc1cccc([O-])c1Cl ZINC000814729846 726995780 /nfs/dbraw/zinc/99/57/80/726995780.db2.gz DPCPVMZNEWCKJT-UHFFFAOYSA-N -1 1 360.826 3.484 20 30 FGEDMM C=CCCCCCCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000815046821 727025815 /nfs/dbraw/zinc/02/58/15/727025815.db2.gz GRVUDNFTGLKSOR-UHFFFAOYSA-N -1 1 353.410 3.244 20 30 FGEDMM CC(C)(C#N)CCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000819892101 728950588 /nfs/dbraw/zinc/95/05/88/728950588.db2.gz UTTTTZCTBABMAD-UHFFFAOYSA-N -1 1 356.817 3.165 20 30 FGEDMM O=C([O-])N[C@H]1CC(=NNc2ccc(Br)cn2)c2ccccc21 ZINC000834158613 729757578 /nfs/dbraw/zinc/75/75/78/729757578.db2.gz UNJGTNIAYXNIGT-LBPRGKRZSA-N -1 1 361.199 3.373 20 30 FGEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000842294860 730481490 /nfs/dbraw/zinc/48/14/90/730481490.db2.gz NRYJOWKTTULQON-YPMHNXCESA-N -1 1 357.435 3.359 20 30 FGEDMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cc21 ZINC000844825284 730775159 /nfs/dbraw/zinc/77/51/59/730775159.db2.gz JTPZTOAXPLPTPE-UHFFFAOYSA-N -1 1 355.463 3.281 20 30 FGEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000859424860 732326850 /nfs/dbraw/zinc/32/68/50/732326850.db2.gz AASMVUWNERXSRT-SNVBAGLBSA-N -1 1 369.792 3.066 20 30 FGEDMM COCCCON=C(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863113207 732916081 /nfs/dbraw/zinc/91/60/81/732916081.db2.gz LXOOMPMJYJFOPZ-UHFFFAOYSA-N -1 1 362.451 3.265 20 30 FGEDMM COC(=O)[C@@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)c1ccc(C#N)cc1 ZINC000865372966 733187327 /nfs/dbraw/zinc/18/73/27/733187327.db2.gz ADYXRLNRHZFSAT-HNNXBMFYSA-N -1 1 355.419 3.246 20 30 FGEDMM C=CCCC(C)(C)CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000868860009 733654596 /nfs/dbraw/zinc/65/45/96/733654596.db2.gz NFAOYDJEZJUULH-UHFFFAOYSA-N -1 1 363.424 3.079 20 30 FGEDMM C#CCN1C(=O)c2ccccc2N[C@H]1c1cccc([O-])c1Br ZINC000877849811 736735468 /nfs/dbraw/zinc/73/54/68/736735468.db2.gz MJRIWEVUPFIWTO-MRXNPFEDSA-N -1 1 357.207 3.354 20 30 FGEDMM C[C@@H]1[C@@](F)(Cl)[C@]1(C)C=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000905449414 744022729 /nfs/dbraw/zinc/02/27/29/744022729.db2.gz WAHSURCRNIMTCZ-SVGYWBMUSA-N -1 1 354.817 3.245 20 30 FGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCc2ccccn2)s1 ZINC000909544432 744374784 /nfs/dbraw/zinc/37/47/84/744374784.db2.gz QPLGRMYYEMVTOV-UHFFFAOYSA-N -1 1 369.899 3.482 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000914599536 757808709 /nfs/dbraw/zinc/80/87/09/757808709.db2.gz INWFVOCGOREBQI-UHFFFAOYSA-N -1 1 368.245 3.456 20 30 FGEDMM Cc1nc2sccc2c(=O)n1N=Cc1ccc([O-])c(Br)c1 ZINC000917580762 758243861 /nfs/dbraw/zinc/24/38/61/758243861.db2.gz RAXBUBRCOODOKU-UHFFFAOYSA-N -1 1 364.224 3.117 20 30 FGEDMM N#C[C@@]1([N-]C(=O)C(F)(F)c2cccc(Br)c2)CCSC1 ZINC000931298697 760821171 /nfs/dbraw/zinc/82/11/71/760821171.db2.gz AADKPAGCCKUXCR-LBPRGKRZSA-N -1 1 361.211 3.056 20 30 FGEDMM C=CC[C@H]1CCN1C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000931664447 760924263 /nfs/dbraw/zinc/92/42/63/760924263.db2.gz RMPVLHIPDSYWFZ-AWEZNQCLSA-N -1 1 355.360 3.356 20 30 FGEDMM C=CCCO[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435426 493819688 /nfs/dbraw/zinc/81/96/88/493819688.db2.gz YYXVQBQETQHUBO-ZDUSSCGKSA-N -1 1 352.504 3.209 20 30 FGEDMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055592162 494369125 /nfs/dbraw/zinc/36/91/25/494369125.db2.gz GYABTHCMVYJIQH-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)cc1 ZINC000055632261 494376577 /nfs/dbraw/zinc/37/65/77/494376577.db2.gz LVOUJYKNRUNSAD-UHFFFAOYSA-N -1 1 365.414 3.333 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000026547991 494831458 /nfs/dbraw/zinc/83/14/58/494831458.db2.gz MDYAPYAPOGFWGV-UHFFFAOYSA-N -1 1 360.435 3.306 20 30 FGEDMM C=CCCO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109251749 494851412 /nfs/dbraw/zinc/85/14/12/494851412.db2.gz JOSLABMKGVFEEL-OAHLLOKOSA-N -1 1 374.462 3.407 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000135507003 495303055 /nfs/dbraw/zinc/30/30/55/495303055.db2.gz LOZWFQOQIFKQEA-UHFFFAOYSA-N -1 1 362.361 3.481 20 30 FGEDMM N#Cc1ccc(OC2CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C2)cc1 ZINC000130276766 495366703 /nfs/dbraw/zinc/36/67/03/495366703.db2.gz IWAFCHQNODCGJI-UHFFFAOYSA-N -1 1 362.307 3.186 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000114673623 495407478 /nfs/dbraw/zinc/40/74/78/495407478.db2.gz RCSWSLLHDQQWQS-UHFFFAOYSA-N -1 1 356.325 3.408 20 30 FGEDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673714 495407536 /nfs/dbraw/zinc/40/75/36/495407536.db2.gz LHBYOELMHACHQO-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(F)c1 ZINC000125504404 495454954 /nfs/dbraw/zinc/45/49/54/495454954.db2.gz AFXVDOXJWMBDRZ-UHFFFAOYSA-N -1 1 363.389 3.237 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3cc(F)cc(F)c3)nc(=O)c2c1C ZINC000155447905 495958751 /nfs/dbraw/zinc/95/87/51/495958751.db2.gz JLDHVEAJQOEDPL-LBPRGKRZSA-N -1 1 374.372 3.126 20 30 FGEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000161063562 496095626 /nfs/dbraw/zinc/09/56/26/496095626.db2.gz FLVVABRYJVAEKQ-UHFFFAOYSA-N -1 1 366.389 3.072 20 30 FGEDMM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2[nH]1 ZINC000153126571 496361337 /nfs/dbraw/zinc/36/13/37/496361337.db2.gz QBACGKMLXKBFIU-GFCCVEGCSA-N -1 1 372.344 3.147 20 30 FGEDMM C=CCOCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000173193692 496587494 /nfs/dbraw/zinc/58/74/94/496587494.db2.gz YMAMOZWPIMPFQC-UHFFFAOYSA-N -1 1 374.462 3.409 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000154078360 496677251 /nfs/dbraw/zinc/67/72/51/496677251.db2.gz AXSNBUMJCXUHEU-NSHDSACASA-N -1 1 366.389 3.070 20 30 FGEDMM N#Cc1ccc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cc1[O-] ZINC000188619000 496853613 /nfs/dbraw/zinc/85/36/13/496853613.db2.gz OALTVNXQKRFBLP-LJQANCHMSA-N -1 1 350.418 3.128 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2ccccc2OC(F)(F)F)cc1[O-] ZINC000188729012 496889911 /nfs/dbraw/zinc/88/99/11/496889911.db2.gz AVXIIFGAYUSKCE-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000191878426 496917689 /nfs/dbraw/zinc/91/76/89/496917689.db2.gz WNWGOWJXGALIJD-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM Cc1ccn(C)c1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000190641093 497556063 /nfs/dbraw/zinc/55/60/63/497556063.db2.gz KGRSKBXPOWZWST-GFCCVEGCSA-N -1 1 366.446 3.000 20 30 FGEDMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)NC(=O)NC1CCCCC1 ZINC000329895970 497944030 /nfs/dbraw/zinc/94/40/30/497944030.db2.gz CDTDUPYMCBFKLT-UHFFFAOYSA-N -1 1 350.444 3.355 20 30 FGEDMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000331233601 498280752 /nfs/dbraw/zinc/28/07/52/498280752.db2.gz KAMFLPMDGYOELO-QWRGUYRKSA-N -1 1 369.259 3.249 20 30 FGEDMM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2[C@@H](C)C1 ZINC000297871303 498593927 /nfs/dbraw/zinc/59/39/27/498593927.db2.gz OZSWXRURGONDQS-IUCAKERBSA-N -1 1 359.411 3.200 20 30 FGEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000321272663 498812377 /nfs/dbraw/zinc/81/23/77/498812377.db2.gz VLSDGWDFMGZTLF-SECBINFHSA-N -1 1 358.674 3.252 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1C#N ZINC000326520525 498843645 /nfs/dbraw/zinc/84/36/45/498843645.db2.gz AEEYWKWBWQNUKY-UHFFFAOYSA-N -1 1 359.304 3.220 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)[C@H]1C[C@H]1C ZINC000295186765 498936703 /nfs/dbraw/zinc/93/67/03/498936703.db2.gz KAFQZNNQOXQOBY-YJYMSZOUSA-N -1 1 369.446 3.120 20 30 FGEDMM C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371983067 499386723 /nfs/dbraw/zinc/38/67/23/499386723.db2.gz DSQPXBDUDUEFKD-LLVKDONJSA-N -1 1 374.429 3.444 20 30 FGEDMM Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1C(=O)[O-] ZINC000391159643 499556537 /nfs/dbraw/zinc/55/65/37/499556537.db2.gz BZEYQKZDWWZNDH-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#Cc1c(F)cccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000377131988 499664802 /nfs/dbraw/zinc/66/48/02/499664802.db2.gz HZWKQTLDBRYINX-UHFFFAOYSA-N -1 1 352.365 3.138 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC000410977048 499688493 /nfs/dbraw/zinc/68/84/93/499688493.db2.gz BNRCVOZRSPLGMW-VHSXEESVSA-N -1 1 372.450 3.365 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COCC(F)(F)C(F)F)c1 ZINC000416938286 500162221 /nfs/dbraw/zinc/16/22/21/500162221.db2.gz KXSKZDFGSHMNDV-GFCCVEGCSA-N -1 1 368.352 3.147 20 30 FGEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2F)c1 ZINC000427241954 500372547 /nfs/dbraw/zinc/37/25/47/500372547.db2.gz LNYPFLSAIWMRGI-UHFFFAOYSA-N -1 1 374.372 3.131 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424067938 500446465 /nfs/dbraw/zinc/44/64/65/500446465.db2.gz QNTUSKJMJXPNGJ-ZDUSSCGKSA-N -1 1 354.497 3.107 20 30 FGEDMM N#Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000428170392 500476893 /nfs/dbraw/zinc/47/68/93/500476893.db2.gz LEXOGJLYAFTTCX-UHFFFAOYSA-N -1 1 367.386 3.204 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C(F)(F)F ZINC000447790564 500662293 /nfs/dbraw/zinc/66/22/93/500662293.db2.gz YEPKXGUFRIPIJV-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1C(F)(F)F ZINC000443399995 500718884 /nfs/dbraw/zinc/71/88/84/500718884.db2.gz PBFWQRDPGPGFFH-UHFFFAOYSA-N -1 1 370.308 3.107 20 30 FGEDMM C=CCCc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000443421950 500723038 /nfs/dbraw/zinc/72/30/38/500723038.db2.gz YWGZDLLXPRYDDD-UHFFFAOYSA-N -1 1 360.435 3.270 20 30 FGEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000443934827 500779671 /nfs/dbraw/zinc/77/96/71/500779671.db2.gz JOLRDTNTABCPSQ-UFBFGSQYSA-N -1 1 354.781 3.467 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C)Oc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000444788995 500900740 /nfs/dbraw/zinc/90/07/40/500900740.db2.gz YTZIIOCARVNSSR-ZDUSSCGKSA-N -1 1 364.380 3.224 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)ccc1C#N ZINC000435750758 501023012 /nfs/dbraw/zinc/02/30/12/501023012.db2.gz ZJXZUOPAMQOPCE-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)C)c2)ccc1C#N ZINC000435756646 501023377 /nfs/dbraw/zinc/02/33/77/501023377.db2.gz SZFOMZOOBCOVSM-UHFFFAOYSA-N -1 1 371.462 3.196 20 30 FGEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)[nH]n2)o1 ZINC000446622149 501143184 /nfs/dbraw/zinc/14/31/84/501143184.db2.gz ZAANVHODJHIIRB-UHFFFAOYSA-N -1 1 362.798 3.304 20 30 FGEDMM C=CCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436860166 501222816 /nfs/dbraw/zinc/22/28/16/501222816.db2.gz VRILGFOYLJCGCS-GOSISDBHSA-N -1 1 352.434 3.185 20 30 FGEDMM N#CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000468355581 502034647 /nfs/dbraw/zinc/03/46/47/502034647.db2.gz HPYYKWRHLDXZEM-UHFFFAOYSA-N -1 1 369.446 3.070 20 30 FGEDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000466353479 502545145 /nfs/dbraw/zinc/54/51/45/502545145.db2.gz MYUUXINIWASCPJ-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM CC(C)(C#N)CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000480650617 502632478 /nfs/dbraw/zinc/63/24/78/502632478.db2.gz HESOLZAQHHJHDN-UHFFFAOYSA-N -1 1 372.450 3.159 20 30 FGEDMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000484953515 502785786 /nfs/dbraw/zinc/78/57/86/502785786.db2.gz CHZLZRBQBMGMOT-UHFFFAOYSA-N -1 1 374.418 3.155 20 30 FGEDMM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467149514 502802133 /nfs/dbraw/zinc/80/21/33/502802133.db2.gz SUGPHNBYZCBTPF-UHFFFAOYSA-N -1 1 366.389 3.022 20 30 FGEDMM CC[C@@](C)(C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000504961155 502831513 /nfs/dbraw/zinc/83/15/13/502831513.db2.gz GJGJRCGJTMPLTI-SFHVURJKSA-N -1 1 357.435 3.366 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)[C@H](C)Oc3ccccc3C#N)[nH][n-]2)s1 ZINC000500861932 502880541 /nfs/dbraw/zinc/88/05/41/502880541.db2.gz PQYAJEAGXSDDGX-LBPRGKRZSA-N -1 1 352.419 3.146 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[O-] ZINC000506593080 503140323 /nfs/dbraw/zinc/14/03/23/503140323.db2.gz CALHRXBOAGOXMG-IBGZPJMESA-N -1 1 356.809 3.049 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)CCC2CCCC2)ncc1Br ZINC000514911737 503225301 /nfs/dbraw/zinc/22/53/01/503225301.db2.gz MHFXNCDVBVSEJC-UHFFFAOYSA-N -1 1 358.261 3.038 20 30 FGEDMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)cc1 ZINC000516784786 503587507 /nfs/dbraw/zinc/58/75/07/503587507.db2.gz AHBMNTFUQVPZEF-UHFFFAOYSA-N -1 1 372.446 3.118 20 30 FGEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3CC#N)c2)n1 ZINC000527247102 503738204 /nfs/dbraw/zinc/73/82/04/503738204.db2.gz QUYCEVIIKJFVHO-UHFFFAOYSA-N -1 1 368.418 3.220 20 30 FGEDMM N#Cc1ccc(OCC(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cc1 ZINC000536044008 504617104 /nfs/dbraw/zinc/61/71/04/504617104.db2.gz SDXLRCYUBGVOGO-UHFFFAOYSA-N -1 1 358.810 3.103 20 30 FGEDMM CC(C)(C)[C@@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553491202 504930497 /nfs/dbraw/zinc/93/04/97/504930497.db2.gz DPKSJXQTVLBDDC-OAHLLOKOSA-N -1 1 366.414 3.062 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c2cccnc12 ZINC000553729071 504992743 /nfs/dbraw/zinc/99/27/43/504992743.db2.gz MNBNNNCSLIFWOA-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(COc3ccccc3)cc2)o1 ZINC000553784989 505010641 /nfs/dbraw/zinc/01/06/41/505010641.db2.gz RWTILJAGBVJFLZ-UHFFFAOYSA-N -1 1 368.414 3.209 20 30 FGEDMM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000560218525 505021137 /nfs/dbraw/zinc/02/11/37/505021137.db2.gz VHBJYMTVXOCMHO-HNNXBMFYSA-N -1 1 372.413 3.480 20 30 FGEDMM Cc1cccc(O[C@H]2CCCC[C@H]2[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000557841123 505243892 /nfs/dbraw/zinc/24/38/92/505243892.db2.gz IYQJXYBPDMTTTE-SJORKVTESA-N -1 1 360.435 3.128 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(OC(F)F)ccc32)o1 ZINC000561504446 505363367 /nfs/dbraw/zinc/36/33/67/505363367.db2.gz AJSVKAKIPHDDGA-AWEZNQCLSA-N -1 1 368.361 3.109 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)o1 ZINC000561514691 505365839 /nfs/dbraw/zinc/36/58/39/505365839.db2.gz LZIRLQMXSBJKSU-OAHLLOKOSA-N -1 1 358.444 3.475 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000567435558 505461083 /nfs/dbraw/zinc/46/10/83/505461083.db2.gz NYOGVNKRKGKDDF-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589158575 506463237 /nfs/dbraw/zinc/46/32/37/506463237.db2.gz QQZIQVCVWWYYSA-UHFFFAOYSA-N -1 1 360.417 3.056 20 30 FGEDMM CC(C)OCCOCc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589172332 506469791 /nfs/dbraw/zinc/46/97/91/506469791.db2.gz DFTDUXFDCYCCQL-UHFFFAOYSA-N -1 1 354.406 3.458 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1 ZINC000589178815 506473284 /nfs/dbraw/zinc/47/32/84/506473284.db2.gz FBUCXMIVMMLZGL-UHFFFAOYSA-N -1 1 354.366 3.098 20 30 FGEDMM Cc1cc(C[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)n(-c2ccccc2)n1 ZINC000589192571 506476597 /nfs/dbraw/zinc/47/65/97/506476597.db2.gz LHTIPVSOWLMALH-CQSZACIVSA-N -1 1 360.417 3.119 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000589586933 506592449 /nfs/dbraw/zinc/59/24/49/506592449.db2.gz UCPKVJIRTCIAAE-UHFFFAOYSA-N -1 1 374.372 3.222 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)c1 ZINC000589586911 506592614 /nfs/dbraw/zinc/59/26/14/506592614.db2.gz NXYZPCSPCQOIJK-UHFFFAOYSA-N -1 1 366.446 3.062 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)cc1C#N ZINC000589965155 506691163 /nfs/dbraw/zinc/69/11/63/506691163.db2.gz ZWGPEKFACQZLPA-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM Cc1ccc(NC(=O)CC2(C#N)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000590153841 506751892 /nfs/dbraw/zinc/75/18/92/506751892.db2.gz HKFXCYXYQGTURM-UHFFFAOYSA-N -1 1 369.446 3.428 20 30 FGEDMM Cc1nc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)o1 ZINC000583827858 506996941 /nfs/dbraw/zinc/99/69/41/506996941.db2.gz IUDGCNJBWSCCJN-LLVKDONJSA-N -1 1 368.418 3.371 20 30 FGEDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000583830311 506998840 /nfs/dbraw/zinc/99/88/40/506998840.db2.gz UDOXYAVYCSDSDP-FVMDXXJSSA-N -1 1 366.801 3.151 20 30 FGEDMM C=C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000591063576 507097615 /nfs/dbraw/zinc/09/76/15/507097615.db2.gz JQNXNHNQELZJAE-UHFFFAOYSA-N -1 1 374.437 3.419 20 30 FGEDMM CCc1csc(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)n1 ZINC000594398600 507113963 /nfs/dbraw/zinc/11/39/63/507113963.db2.gz PGFFDCWRPXZXMH-UHFFFAOYSA-N -1 1 355.463 3.378 20 30 FGEDMM COc1cc(F)c(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c(F)c1 ZINC000610970835 507458841 /nfs/dbraw/zinc/45/88/41/507458841.db2.gz OYUVZRVNQNKQEX-MRXNPFEDSA-N -1 1 366.389 3.297 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(-c3ccccc3)cc2)o1 ZINC000588120017 507765867 /nfs/dbraw/zinc/76/58/67/507765867.db2.gz DXEWOPRAUNECSR-UHFFFAOYSA-N -1 1 352.415 3.339 20 30 FGEDMM Cc1ccc2[nH]cc(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)c2c1 ZINC000737372951 599285858 /nfs/dbraw/zinc/28/58/58/599285858.db2.gz NMLIFEPZTGNJOV-UHFFFAOYSA-N -1 1 364.413 3.388 20 30 FGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000819847898 598226731 /nfs/dbraw/zinc/22/67/31/598226731.db2.gz PLLTZOOUVXUVJS-LJQANCHMSA-N -1 1 366.352 3.312 20 30 FGEDMM C=CCCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000735408533 598326667 /nfs/dbraw/zinc/32/66/67/598326667.db2.gz NFUUYIWSEOVXQR-UHFFFAOYSA-N -1 1 350.382 3.267 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(Cl)ccc32)o1 ZINC000820197084 599336292 /nfs/dbraw/zinc/33/62/92/599336292.db2.gz GBDWVADLNREIDQ-UHFFFAOYSA-N -1 1 357.805 3.394 20 30 FGEDMM Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833011254 601298669 /nfs/dbraw/zinc/29/86/69/601298669.db2.gz GRTVIQAKRSDMBL-HXUWFJFHSA-N -1 1 360.417 3.276 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2cccnc2OC2CCCC2)C(=O)[O-])c1 ZINC000833076179 601301356 /nfs/dbraw/zinc/30/13/56/601301356.db2.gz RPJJMDUFLLJNLO-GOSISDBHSA-N -1 1 351.406 3.190 20 30 FGEDMM C[C@H](Oc1ccc(C=NNc2ccc(Br)cn2)cc1)C(=O)[O-] ZINC000794902193 602073862 /nfs/dbraw/zinc/07/38/62/602073862.db2.gz NIMSNCMMIJFJKA-JTQLQIEISA-N -1 1 364.199 3.142 20 30 FGEDMM C[C@@H](Oc1ccc(C=NNc2ccc(Br)cn2)cc1)C(=O)[O-] ZINC000794902194 602073922 /nfs/dbraw/zinc/07/39/22/602073922.db2.gz NIMSNCMMIJFJKA-SNVBAGLBSA-N -1 1 364.199 3.142 20 30 FGEDMM C(#Cc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)c1ccccc1 ZINC000823861982 607546870 /nfs/dbraw/zinc/54/68/70/607546870.db2.gz WCKWHPHIRQKROA-UHFFFAOYSA-N -1 1 352.401 3.274 20 30 FGEDMM C(#Cc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)c1ccccc1 ZINC000823861982 607546871 /nfs/dbraw/zinc/54/68/71/607546871.db2.gz WCKWHPHIRQKROA-UHFFFAOYSA-N -1 1 352.401 3.274 20 30 FGEDMM CCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(CC)CC ZINC000821350985 606237527 /nfs/dbraw/zinc/23/75/27/606237527.db2.gz IHSFSOAGSDDDNF-LBPRGKRZSA-N -1 1 361.450 3.361 20 30 FGEDMM N#Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1C(F)(F)F ZINC000822832968 606370724 /nfs/dbraw/zinc/37/07/24/606370724.db2.gz LAWUKCANTGJXRJ-UHFFFAOYSA-N -1 1 363.328 3.265 20 30 FGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000819783356 606702007 /nfs/dbraw/zinc/70/20/07/606702007.db2.gz VWZZJCGSDZKVIV-UHFFFAOYSA-N -1 1 361.356 3.267 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c(Cl)c2)o1 ZINC000824280207 607886581 /nfs/dbraw/zinc/88/65/81/607886581.db2.gz GTABUQIBZZKLOX-UHFFFAOYSA-N -1 1 363.784 3.292 20 30 FGEDMM C=C[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823883724 608005217 /nfs/dbraw/zinc/00/52/17/608005217.db2.gz ZAZYAJACWMLJGB-CYBMUJFWSA-N -1 1 365.441 3.117 20 30 FGEDMM C=C[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823883724 608005218 /nfs/dbraw/zinc/00/52/18/608005218.db2.gz ZAZYAJACWMLJGB-CYBMUJFWSA-N -1 1 365.441 3.117 20 30 FGEDMM COc1ccc([C@@H](C)CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000826188221 608534296 /nfs/dbraw/zinc/53/42/96/608534296.db2.gz QQZDNRHQNYGZAI-NSHDSACASA-N -1 1 369.429 3.362 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3cccc(F)c3)C2)o1 ZINC000824352899 609372566 /nfs/dbraw/zinc/37/25/66/609372566.db2.gz QUBHRDOMSWBOOO-UHFFFAOYSA-N -1 1 355.377 3.463 20 30 FGEDMM C=C(C)CN(CC)C(=O)CCn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000023242675 695660319 /nfs/dbraw/zinc/66/03/19/695660319.db2.gz MKHIRNCLVRNWNZ-UHFFFAOYSA-N -1 1 360.483 3.431 20 30 FGEDMM C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000028492133 695704236 /nfs/dbraw/zinc/70/42/36/695704236.db2.gz QMAGAOHHWXBIPB-UHFFFAOYSA-N -1 1 356.447 3.302 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000041520333 695763134 /nfs/dbraw/zinc/76/31/34/695763134.db2.gz LLKPBCPAOBVBBK-CYBMUJFWSA-N -1 1 356.407 3.450 20 30 FGEDMM Cc1occc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362197 695857694 /nfs/dbraw/zinc/85/76/94/695857694.db2.gz MDPYRABBAHZUED-GFCCVEGCSA-N -1 1 353.403 3.255 20 30 FGEDMM N#C[C@@H](C(=O)C[C@H]1C=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362201 695857791 /nfs/dbraw/zinc/85/77/91/695857791.db2.gz UVWYPMGXIFMRTD-AAEUAGOBSA-N -1 1 353.447 3.396 20 30 FGEDMM C#CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000070118988 695954171 /nfs/dbraw/zinc/95/41/71/695954171.db2.gz CSGSSGAOQPOCQA-UHFFFAOYSA-N -1 1 371.083 3.446 20 30 FGEDMM N#Cc1cc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)ccc1F ZINC000102879307 700479289 /nfs/dbraw/zinc/47/92/89/700479289.db2.gz KAQXYNNBJDDJCU-UHFFFAOYSA-N -1 1 359.411 3.319 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)CC#N)c2)c1 ZINC000120294437 700652339 /nfs/dbraw/zinc/65/23/39/700652339.db2.gz AFDNRMMBXTUIEO-AWEZNQCLSA-N -1 1 358.419 3.255 20 30 FGEDMM COc1c(Cl)cc(Cl)cc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000120831300 700660718 /nfs/dbraw/zinc/66/07/18/700660718.db2.gz NJBWVHIVVUOZLP-XGACYXMMSA-N -1 1 355.173 3.230 20 30 FGEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)cs2)cc1 ZINC000124780636 700724922 /nfs/dbraw/zinc/72/49/22/700724922.db2.gz ARGWOVQLBMAOJX-QWPQOLDESA-N -1 1 353.399 3.347 20 30 FGEDMM Cc1ccc(-c2nc(C=CC(=O)c3c([O-])cc(C)oc3=O)cs2)cc1 ZINC000124780451 700724931 /nfs/dbraw/zinc/72/49/31/700724931.db2.gz ARGWOVQLBMAOJX-IWAYRVGRSA-N -1 1 353.399 3.347 20 30 FGEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1scnc1C1CC1 ZINC000127860984 700767902 /nfs/dbraw/zinc/76/79/02/700767902.db2.gz MWEGKYBMZVIOKY-LBPRGKRZSA-N -1 1 355.419 3.380 20 30 FGEDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000135378305 704843552 /nfs/dbraw/zinc/84/35/52/704843552.db2.gz VEUTUORJXFOJDW-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM C#CCC(C)(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000184364757 712671306 /nfs/dbraw/zinc/67/13/06/712671306.db2.gz HTJIATPDWAHLFH-UHFFFAOYSA-N -1 1 356.447 3.475 20 30 FGEDMM Cc1ccc(-c2ncc(C=CC(=O)c3c([O-])cc(C)oc3=O)s2)cc1 ZINC000254925154 713677228 /nfs/dbraw/zinc/67/72/28/713677228.db2.gz BYDPVTUZNVEGDS-QWPQOLDESA-N -1 1 353.399 3.347 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2Br)c(=O)o1 ZINC000255716841 713705389 /nfs/dbraw/zinc/70/53/89/713705389.db2.gz FIHAZURACYTBOQ-PKXJPQMGSA-N -1 1 369.598 3.331 20 30 FGEDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000523727626 714249610 /nfs/dbraw/zinc/24/96/10/714249610.db2.gz BQGBFVCAPBUMPA-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM C=C(C)Cn1c(COC)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000642720765 717991526 /nfs/dbraw/zinc/99/15/26/717991526.db2.gz GJDHKLOIXSNTNV-GUYCJALGSA-N -1 1 364.877 3.264 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)ccc1C#N ZINC000618089696 714717824 /nfs/dbraw/zinc/71/78/24/714717824.db2.gz IBCAFRWQBBZVJV-UHFFFAOYSA-N -1 1 362.361 3.412 20 30 FGEDMM COC(=O)c1ccc([O-])c(C=NNC(=S)Nc2cccc(Cl)c2)c1 ZINC000726736604 722437421 /nfs/dbraw/zinc/43/74/21/722437421.db2.gz NFUPSVOWPFSGFF-UHFFFAOYSA-N -1 1 363.826 3.153 20 30 FGEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360215 722467660 /nfs/dbraw/zinc/46/76/60/722467660.db2.gz SEJBWZQKNFCSKK-JDNHERCYSA-N -1 1 373.236 3.299 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000740811240 722538051 /nfs/dbraw/zinc/53/80/51/722538051.db2.gz XFZOCTGJLZNUIJ-UHFFFAOYSA-N -1 1 359.407 3.236 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000746491498 722604878 /nfs/dbraw/zinc/60/48/78/722604878.db2.gz HHPRDHKLIJSNTR-UHFFFAOYSA-N -1 1 367.814 3.092 20 30 FGEDMM C[C@H](C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000749165441 722718471 /nfs/dbraw/zinc/71/84/71/722718471.db2.gz XFVAKJWRXCNAQM-AWEZNQCLSA-N -1 1 361.423 3.128 20 30 FGEDMM N#Cc1ccc(O)c(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC000790005911 723093441 /nfs/dbraw/zinc/09/34/41/723093441.db2.gz AUMALYCGFGROQK-UHFFFAOYSA-N -1 1 354.753 3.061 20 30 FGEDMM COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)c(Br)c1O ZINC000761013161 723113171 /nfs/dbraw/zinc/11/31/71/723113171.db2.gz WMFMQHXYWATWCK-MLPAPPSSSA-N -1 1 363.163 3.485 20 30 FGEDMM C#C[C@H](CCC)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000791742102 723276572 /nfs/dbraw/zinc/27/65/72/723276572.db2.gz BHFCANLGKBJHKR-SNVBAGLBSA-N -1 1 358.316 3.035 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1Cl ZINC000774049499 723852900 /nfs/dbraw/zinc/85/29/00/723852900.db2.gz AMGINFPSILVHJR-LLVKDONJSA-N -1 1 363.826 3.383 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cn2ccc(Br)cc2n1 ZINC000811688458 725376861 /nfs/dbraw/zinc/37/68/61/725376861.db2.gz PHPPACRREXLRES-NSIKDUERSA-N -1 1 357.163 3.419 20 30 FGEDMM CC(C)(C#N)CCCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817293480 727237365 /nfs/dbraw/zinc/23/73/65/727237365.db2.gz MFAQDWOHZNZLLK-AWEZNQCLSA-N -1 1 353.388 3.426 20 30 FGEDMM C[C@H]1O[C@@H](C)CC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000834956468 729847980 /nfs/dbraw/zinc/84/79/80/729847980.db2.gz VDVXTNWOTYAHPA-UONOGXRCSA-N -1 1 359.451 3.453 20 30 FGEDMM C[C@@H]1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2sccc21 ZINC000834962991 729848257 /nfs/dbraw/zinc/84/82/57/729848257.db2.gz MCORWKDCBXNDLE-SNVBAGLBSA-N -1 1 365.436 3.236 20 30 FGEDMM O=c1nc(N=NC2CCC[C@H](c3ccc(Cl)cc3)C2)nc2[nH][n-]cc1-2 ZINC000841625297 730260620 /nfs/dbraw/zinc/26/06/20/730260620.db2.gz ZSACEZWHLZPBDX-NSHDSACASA-N -1 1 356.817 3.211 20 30 FGEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845832576 730901061 /nfs/dbraw/zinc/90/10/61/730901061.db2.gz FCNCTSSBEKHZIT-YPMHNXCESA-N -1 1 361.463 3.496 20 30 FGEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCCCC1(C#N)CCC1 ZINC000908920971 744327122 /nfs/dbraw/zinc/32/71/22/744327122.db2.gz JHEORQFENBENPZ-UHFFFAOYSA-N -1 1 356.469 3.141 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000579694523 505603420 /nfs/dbraw/zinc/60/34/20/505603420.db2.gz GEVBOAVFOYZUII-DGCLKSJQSA-N -1 1 356.325 3.004 20 30 FGEDMM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2[nH]1 ZINC000048813631 493847464 /nfs/dbraw/zinc/84/74/64/493847464.db2.gz GHXPLUFSEJJAHY-AWEZNQCLSA-N -1 1 372.344 3.147 20 30 FGEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n1 ZINC000076936016 493991572 /nfs/dbraw/zinc/99/15/72/493991572.db2.gz VEFDAAKTVALADN-UHFFFAOYSA-N -1 1 366.446 3.470 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000032600067 493999025 /nfs/dbraw/zinc/99/90/25/493999025.db2.gz XEILMOVSUPLXHY-UHFFFAOYSA-N -1 1 356.325 3.300 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCC#N)cc2)cc1C ZINC000069740988 494005531 /nfs/dbraw/zinc/00/55/31/494005531.db2.gz REIDLLFEBIOEBJ-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM CC1(C)Cc2cccc(OCC(=O)Nc3n[n-]c(C(F)(F)F)n3)c2O1 ZINC000072673368 494230489 /nfs/dbraw/zinc/23/04/89/494230489.db2.gz JDPFIXTUXVAFKJ-UHFFFAOYSA-N -1 1 356.304 3.204 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OCC)c2)c1 ZINC000066588153 494360758 /nfs/dbraw/zinc/36/07/58/494360758.db2.gz OPFTUGZNYRLSHC-UHFFFAOYSA-N -1 1 374.462 3.110 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(OCC(F)F)n1 ZINC000089964388 494416806 /nfs/dbraw/zinc/41/68/06/494416806.db2.gz RIIXIQUZPGOOAN-LLVKDONJSA-N -1 1 356.332 3.102 20 30 FGEDMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000067660230 494601639 /nfs/dbraw/zinc/60/16/39/494601639.db2.gz NYWWGPAOPSFEOK-UHFFFAOYSA-N -1 1 364.331 3.457 20 30 FGEDMM O=C(C#Cc1ccccc1)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000080642017 494752252 /nfs/dbraw/zinc/75/22/52/494752252.db2.gz IESHXPJFFLYDFJ-UHFFFAOYSA-N -1 1 352.463 3.033 20 30 FGEDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000025741355 494773615 /nfs/dbraw/zinc/77/36/15/494773615.db2.gz LBZRPNAOEMIHOM-UHFFFAOYSA-N -1 1 357.435 3.344 20 30 FGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000026547813 494831733 /nfs/dbraw/zinc/83/17/33/494831733.db2.gz SIZLYXPGSJYRSJ-UHFFFAOYSA-N -1 1 372.446 3.450 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000116852507 494862304 /nfs/dbraw/zinc/86/23/04/494862304.db2.gz LCQSQXZIVNFBML-ZDUSSCGKSA-N -1 1 362.426 3.321 20 30 FGEDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000129097957 495195601 /nfs/dbraw/zinc/19/56/01/495195601.db2.gz NBVGOCYFNILCGX-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM COc1cccc(Cc2nnc([N-]C(=O)c3sccc3C#N)s2)c1 ZINC000107177675 495523253 /nfs/dbraw/zinc/52/32/53/495523253.db2.gz BBFPHHXMPOSPEB-UHFFFAOYSA-N -1 1 356.432 3.323 20 30 FGEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000154160212 495531073 /nfs/dbraw/zinc/53/10/73/495531073.db2.gz NIPSHJFRAYMSLB-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000176206708 495545865 /nfs/dbraw/zinc/54/58/65/495545865.db2.gz FJWZUIAYSNVWRP-UHFFFAOYSA-N -1 1 366.402 3.286 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000146754614 495569072 /nfs/dbraw/zinc/56/90/72/495569072.db2.gz UABPYXMBSGVCFZ-SNVBAGLBSA-N -1 1 365.798 3.159 20 30 FGEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160720791 496027875 /nfs/dbraw/zinc/02/78/75/496027875.db2.gz YNVVCGLESIIIIX-ZETCQYMHSA-N -1 1 356.644 3.485 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177620676 496134606 /nfs/dbraw/zinc/13/46/06/496134606.db2.gz UALYGCGQSCYDHN-UHFFFAOYSA-N -1 1 365.336 3.444 20 30 FGEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2)n[nH]1 ZINC000164039752 496581342 /nfs/dbraw/zinc/58/13/42/496581342.db2.gz JPDMGPCYDVCGNF-UHFFFAOYSA-N -1 1 368.418 3.491 20 30 FGEDMM C=CCN(CC=C)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185051788 496638565 /nfs/dbraw/zinc/63/85/65/496638565.db2.gz UTAVDTRQEOXMPW-UHFFFAOYSA-N -1 1 355.463 3.038 20 30 FGEDMM CCc1cc(=O)[n-]c(SCC(=O)c2cn(CCC#N)c3ccccc23)n1 ZINC000188098452 496682412 /nfs/dbraw/zinc/68/24/12/496682412.db2.gz VVTDAOMMZBBDAZ-UHFFFAOYSA-N -1 1 366.446 3.176 20 30 FGEDMM N#Cc1ccc(Cc2cnc(NC([O-])=NO[C@H]3CCCCO3)s2)cc1 ZINC000274730414 497153519 /nfs/dbraw/zinc/15/35/19/497153519.db2.gz HFVVXXGICAEGIK-HNNXBMFYSA-N -1 1 358.423 3.185 20 30 FGEDMM N#Cc1ccc(Cc2cnc(NC(=O)[N-]O[C@H]3CCCCO3)s2)cc1 ZINC000274730414 497153524 /nfs/dbraw/zinc/15/35/24/497153524.db2.gz HFVVXXGICAEGIK-HNNXBMFYSA-N -1 1 358.423 3.185 20 30 FGEDMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC000189948684 497303190 /nfs/dbraw/zinc/30/31/90/497303190.db2.gz WUPDTVZCYRRKBH-QGZVFWFLSA-N -1 1 352.390 3.258 20 30 FGEDMM C=CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262183802 497521077 /nfs/dbraw/zinc/52/10/77/497521077.db2.gz QHVBEDQBYNZREF-IFXJQAMLSA-N -1 1 360.479 3.090 20 30 FGEDMM CC(=O)OCCCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000279917762 497588303 /nfs/dbraw/zinc/58/83/03/497588303.db2.gz KJXXFELLFQSEIX-UHFFFAOYSA-N -1 1 372.446 3.049 20 30 FGEDMM C=CCC(C)(C)CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000293809908 498496881 /nfs/dbraw/zinc/49/68/81/498496881.db2.gz QMSWDKACSRVUQW-UHFFFAOYSA-N -1 1 354.454 3.204 20 30 FGEDMM N#CC1CCC(C[N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000282414197 498501495 /nfs/dbraw/zinc/50/14/95/498501495.db2.gz FFDKFZFGDMDNNN-UHFFFAOYSA-N -1 1 363.302 3.119 20 30 FGEDMM CCCCCCCCC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000369320099 499391086 /nfs/dbraw/zinc/39/10/86/499391086.db2.gz UWYXTDWBYCVGQX-UHFFFAOYSA-N -1 1 364.490 3.438 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000410977044 499688231 /nfs/dbraw/zinc/68/82/31/499688231.db2.gz BNRCVOZRSPLGMW-UWVGGRQHSA-N -1 1 372.450 3.365 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@H](C)C[C@H](C)C4)nn21 ZINC000411015458 499690306 /nfs/dbraw/zinc/69/03/06/499690306.db2.gz QMWQKYSQZCJMIR-VHSXEESVSA-N -1 1 366.450 3.304 20 30 FGEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000414473233 499796466 /nfs/dbraw/zinc/79/64/66/499796466.db2.gz ALVCIWNDJIZAEE-LBPRGKRZSA-N -1 1 354.781 3.271 20 30 FGEDMM C=C(CC)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000412401356 499852022 /nfs/dbraw/zinc/85/20/22/499852022.db2.gz GPQQJKKOLVCOBI-SFHVURJKSA-N -1 1 352.434 3.232 20 30 FGEDMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)[C@@H](C#N)CC)ccc2s1 ZINC000416949794 500164148 /nfs/dbraw/zinc/16/41/48/500164148.db2.gz QTQBVJGCIHVMLB-GFCCVEGCSA-N -1 1 352.437 3.122 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1F ZINC000427119122 500356160 /nfs/dbraw/zinc/35/61/60/500356160.db2.gz FXKVDMBLZOLSGG-UHFFFAOYSA-N -1 1 360.288 3.239 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000443418235 500722291 /nfs/dbraw/zinc/72/22/91/500722291.db2.gz RZBKLABZDXCJJA-UHFFFAOYSA-N -1 1 374.315 3.439 20 30 FGEDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2o1 ZINC000435720263 501017463 /nfs/dbraw/zinc/01/74/63/501017463.db2.gz ANOKORYDHDVEMU-UHFFFAOYSA-N -1 1 370.386 3.200 20 30 FGEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)n[nH]1 ZINC000435725573 501018117 /nfs/dbraw/zinc/01/81/17/501018117.db2.gz YQFVPHXPDGWPRL-UHFFFAOYSA-N -1 1 368.418 3.491 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)cc1[O-] ZINC000435961145 501051454 /nfs/dbraw/zinc/05/14/54/501051454.db2.gz GALYZVSUCWQTRW-DZGCQCFKSA-N -1 1 357.207 3.312 20 30 FGEDMM C=CCC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCC1 ZINC000456481903 501534825 /nfs/dbraw/zinc/53/48/25/501534825.db2.gz CUAYJRAYTAQTGC-UHFFFAOYSA-N -1 1 366.465 3.348 20 30 FGEDMM C[C@]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)(C1CC1)C(F)(F)F ZINC000479142990 502175396 /nfs/dbraw/zinc/17/53/96/502175396.db2.gz RZEPBMANDFTSIS-LBPRGKRZSA-N -1 1 352.765 3.221 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000465106540 502192027 /nfs/dbraw/zinc/19/20/27/502192027.db2.gz GBEKHASFSWWSFN-ZDUSSCGKSA-N -1 1 362.426 3.239 20 30 FGEDMM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000468917108 502229481 /nfs/dbraw/zinc/22/94/81/502229481.db2.gz LRUWWFMXULLJNR-SNVBAGLBSA-N -1 1 369.643 3.068 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)N(C)C)c2C)ccc1C#N ZINC000475823753 502301284 /nfs/dbraw/zinc/30/12/84/502301284.db2.gz ACUNUXJGWABWEM-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM C=CCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000469889790 502585794 /nfs/dbraw/zinc/58/57/94/502585794.db2.gz BEPZSRMNTHYYSP-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1C#N ZINC000509382200 502889189 /nfs/dbraw/zinc/88/91/89/502889189.db2.gz BFKYDPVUEJNEPL-UHFFFAOYSA-N -1 1 356.325 3.408 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3c(F)cccc3C#N)[nH][n-]2)c1 ZINC000507211996 503251286 /nfs/dbraw/zinc/25/12/86/503251286.db2.gz PRLUTGOPFXOAPY-UHFFFAOYSA-N -1 1 352.344 3.138 20 30 FGEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000507601388 503329647 /nfs/dbraw/zinc/32/96/47/503329647.db2.gz FSPACOYEYAIQOD-UHFFFAOYSA-N -1 1 352.774 3.354 20 30 FGEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000508090636 503428644 /nfs/dbraw/zinc/42/86/44/503428644.db2.gz XUDQSKRQPJBLSB-GFCCVEGCSA-N -1 1 371.286 3.446 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1[O-] ZINC000527195888 503714524 /nfs/dbraw/zinc/71/45/24/503714524.db2.gz QHXLCPBBMFHTKY-HUUCEWRRSA-N -1 1 357.207 3.312 20 30 FGEDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000538093210 504131780 /nfs/dbraw/zinc/13/17/80/504131780.db2.gz RWFGHQPQPPZIFT-UHFFFAOYSA-N -1 1 360.435 3.293 20 30 FGEDMM CC(C#N)=C([O-])N=c1cc(-c2cc(Br)ccc2Cl)[nH][nH]1 ZINC000531275259 504249255 /nfs/dbraw/zinc/24/92/55/504249255.db2.gz UQMNDNQXNYEJKZ-SSDOTTSWSA-N -1 1 353.607 3.013 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([C@H]3CCOC3)c2)n1 ZINC000534924276 504282893 /nfs/dbraw/zinc/28/28/93/504282893.db2.gz BTPJMBBRJBYTHM-GJZGRUSLSA-N -1 1 370.430 3.314 20 30 FGEDMM CCc1nc2cc(CNC(=O)c3ccc(C#N)c([O-])c3)ccc2n1C1CC1 ZINC000549156194 504706533 /nfs/dbraw/zinc/70/65/33/504706533.db2.gz XQXBPQBRJFJADK-UHFFFAOYSA-N -1 1 360.417 3.441 20 30 FGEDMM CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553799627 505014641 /nfs/dbraw/zinc/01/46/41/505014641.db2.gz GUBYBWVMCSSZCP-CQSZACIVSA-N -1 1 362.451 3.238 20 30 FGEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000555121462 505355791 /nfs/dbraw/zinc/35/57/91/505355791.db2.gz DIILECNWNQNARP-UHFFFAOYSA-N -1 1 350.827 3.353 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000589163292 506464483 /nfs/dbraw/zinc/46/44/83/506464483.db2.gz MWOSMVJLLPESLH-UHFFFAOYSA-N -1 1 350.418 3.454 20 30 FGEDMM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589168361 506467500 /nfs/dbraw/zinc/46/75/00/506467500.db2.gz UPEBTTOUXNCWAR-CQSZACIVSA-N -1 1 369.852 3.436 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000593209862 506468047 /nfs/dbraw/zinc/46/80/47/506468047.db2.gz IKMDCKPBXOJBLJ-UHFFFAOYSA-N -1 1 359.451 3.342 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000589178020 506470515 /nfs/dbraw/zinc/47/05/15/506470515.db2.gz QCPKGGJNSIZWHG-UHFFFAOYSA-N -1 1 374.400 3.334 20 30 FGEDMM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589174124 506471139 /nfs/dbraw/zinc/47/11/39/506471139.db2.gz DEPTYTGOASQKKB-UHFFFAOYSA-N -1 1 353.447 3.378 20 30 FGEDMM COc1cc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)c(SC)cc1OC ZINC000589184008 506473103 /nfs/dbraw/zinc/47/31/03/506473103.db2.gz VXESXPPISPZJOD-UHFFFAOYSA-N -1 1 372.446 3.275 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000593279993 506508537 /nfs/dbraw/zinc/50/85/37/506508537.db2.gz PETMAZAUBUTVLQ-UHFFFAOYSA-N -1 1 358.345 3.030 20 30 FGEDMM N#Cc1cccc(CN2CCC(Nc3ncc(C(=O)[O-])cc3Cl)CC2)c1 ZINC000593328591 506544765 /nfs/dbraw/zinc/54/47/65/506544765.db2.gz ZCUFZHFOTGZIPL-UHFFFAOYSA-N -1 1 370.840 3.381 20 30 FGEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)co1 ZINC000589962027 506690374 /nfs/dbraw/zinc/69/03/74/506690374.db2.gz CDKNQNCAFFRTEY-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1nc(C(F)(F)F)cs1 ZINC000593587156 506694351 /nfs/dbraw/zinc/69/43/51/506694351.db2.gz UOLMTWUYUXNXGD-ZCFIWIBFSA-N -1 1 367.399 3.135 20 30 FGEDMM C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000593737080 506754631 /nfs/dbraw/zinc/75/46/31/506754631.db2.gz LJIPXVCBVLWBTB-ZDUSSCGKSA-N -1 1 355.825 3.268 20 30 FGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594399061 507113303 /nfs/dbraw/zinc/11/33/03/507113303.db2.gz KWJOZRSSDVTSMQ-OAUYIBNBSA-N -1 1 372.465 3.386 20 30 FGEDMM COC[C@@H](C)N(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000600794254 507126082 /nfs/dbraw/zinc/12/60/82/507126082.db2.gz VKCHRUUJINYDMS-VLIAUNLRSA-N -1 1 350.418 3.428 20 30 FGEDMM CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000610336138 507199082 /nfs/dbraw/zinc/19/90/82/507199082.db2.gz DCZZOWYPFHAFAC-UHFFFAOYSA-N -1 1 372.446 3.243 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1 ZINC000594700603 507243694 /nfs/dbraw/zinc/24/36/94/507243694.db2.gz JCIBYHJMTQQZFV-UHFFFAOYSA-N -1 1 356.447 3.361 20 30 FGEDMM N#Cc1ccsc1C(=O)Nc1cc(I)ccc1[O-] ZINC000610490693 507259855 /nfs/dbraw/zinc/25/98/55/507259855.db2.gz HFDNHUMSFJVSOH-UHFFFAOYSA-N -1 1 370.171 3.182 20 30 FGEDMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000610710985 507359182 /nfs/dbraw/zinc/35/91/82/507359182.db2.gz WGNWZXDJMAOMAN-LLVKDONJSA-N -1 1 366.389 3.275 20 30 FGEDMM C[C@H]1CN(c2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)O1 ZINC000614364058 507478800 /nfs/dbraw/zinc/47/88/00/507478800.db2.gz TVFJEVMNBUJDBN-KBPBESRZSA-N -1 1 351.406 3.130 20 30 FGEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000601977212 507535956 /nfs/dbraw/zinc/53/59/56/507535956.db2.gz YHUAJSQEPHOOIQ-UHFFFAOYSA-N -1 1 354.497 3.251 20 30 FGEDMM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nc4ncccn4n3)sc2C1 ZINC000598847818 507635964 /nfs/dbraw/zinc/63/59/64/507635964.db2.gz OJSUSPLNVIYRQI-LLVKDONJSA-N -1 1 366.450 3.071 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000586840044 507690292 /nfs/dbraw/zinc/69/02/92/507690292.db2.gz JMWFTLHHNRBMTN-INIZCTEOSA-N -1 1 372.222 3.302 20 30 FGEDMM O=C1c2ccc(-c3nn[nH]n3)cc2CCC1=Cc1ccc([O-])c(Cl)c1 ZINC000823504338 599114944 /nfs/dbraw/zinc/11/49/44/599114944.db2.gz PAHABCMJVHTNAU-KPKJPENVSA-N -1 1 352.781 3.438 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2Cc3ccc(Cl)cc3C2)o1 ZINC000820197562 599336437 /nfs/dbraw/zinc/33/64/37/599336437.db2.gz LTGSQHGJKZGTEJ-UHFFFAOYSA-N -1 1 357.805 3.198 20 30 FGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000739106852 600562871 /nfs/dbraw/zinc/56/28/71/600562871.db2.gz UHFJIXDTMBHJPZ-LJQANCHMSA-N -1 1 369.852 3.155 20 30 FGEDMM O=C([O-])c1ccccc1CN=Nc1nc(-c2ccccn2)nc2c1CCC2 ZINC000740240255 600981835 /nfs/dbraw/zinc/98/18/35/600981835.db2.gz RCDDXAWUZNNOPX-UHFFFAOYSA-N -1 1 359.389 3.172 20 30 FGEDMM C[C@H]1CC(NC(=O)c2ccccc2SCc2occc2C(=O)[O-])=NO1 ZINC000833601784 605234661 /nfs/dbraw/zinc/23/46/61/605234661.db2.gz WKSGRUDXLYDCNM-JTQLQIEISA-N -1 1 360.391 3.122 20 30 FGEDMM N#Cc1cccc(CN[C@@H]2C[C@@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)c1 ZINC000833978268 605632839 /nfs/dbraw/zinc/63/28/39/605632839.db2.gz HMEXESJYUIYBGJ-WIYYLYMNSA-N -1 1 363.417 3.294 20 30 FGEDMM Cc1ccc(F)c(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1 ZINC000823962923 608109968 /nfs/dbraw/zinc/10/99/68/608109968.db2.gz RYXBILOXOFSIGZ-UHFFFAOYSA-N -1 1 357.393 3.337 20 30 FGEDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000068716191 695943300 /nfs/dbraw/zinc/94/33/00/695943300.db2.gz XBANALUVTOTQHX-UHFFFAOYSA-N -1 1 358.419 3.120 20 30 FGEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000130518665 700803043 /nfs/dbraw/zinc/80/30/43/700803043.db2.gz XZVHIMAPYMVTGO-UHFFFAOYSA-N -1 1 365.798 3.424 20 30 FGEDMM C#C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CC1 ZINC000152530846 704965403 /nfs/dbraw/zinc/96/54/03/704965403.db2.gz MYPPUNGTRCTCBN-GOSISDBHSA-N -1 1 355.415 3.056 20 30 FGEDMM C=C(C)Cn1c(COC)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000642720763 717991388 /nfs/dbraw/zinc/99/13/88/717991388.db2.gz GJDHKLOIXSNTNV-CXAGYDPISA-N -1 1 364.877 3.264 20 30 FGEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCO1 ZINC000783840123 724795414 /nfs/dbraw/zinc/79/54/14/724795414.db2.gz CJCMCWWVXXXSCT-GOSISDBHSA-N -1 1 359.451 3.454 20 30 FGEDMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc21 ZINC000728017074 722449518 /nfs/dbraw/zinc/44/95/18/722449518.db2.gz HTEPBMQNNAXWKM-UHFFFAOYSA-N -1 1 361.854 3.395 20 30 FGEDMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000728508627 722452119 /nfs/dbraw/zinc/45/21/19/722452119.db2.gz XJECGVRPBMWFGU-UHFFFAOYSA-N -1 1 361.448 3.133 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(C)cc(C)c1 ZINC000730433462 722468419 /nfs/dbraw/zinc/46/84/19/722468419.db2.gz NFBDKNWGROFIQQ-UHFFFAOYSA-N -1 1 361.423 3.055 20 30 FGEDMM CSc1nc(C)c(CCC(=O)OCCC#Cc2ccccc2)c(=O)[n-]1 ZINC000744188482 722574385 /nfs/dbraw/zinc/57/43/85/722574385.db2.gz DIGKICZVOVDSGR-UHFFFAOYSA-N -1 1 356.447 3.130 20 30 FGEDMM O=C(/C=C/c1cc2c(cc1OC(F)F)OCO2)c1cc(O)ccc1[O-] ZINC000757468385 722976542 /nfs/dbraw/zinc/97/65/42/722976542.db2.gz UAVMELKIOZOJGG-HNQUOIGGSA-N -1 1 350.273 3.324 20 30 FGEDMM C=CCCOCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000757917982 722981186 /nfs/dbraw/zinc/98/11/86/722981186.db2.gz AKUTXNBPBBISGH-UHFFFAOYSA-N -1 1 350.415 3.062 20 30 FGEDMM C=C(Cl)CNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000760945998 723107175 /nfs/dbraw/zinc/10/71/75/723107175.db2.gz BLDRMWCAMQRGDG-UHFFFAOYSA-N -1 1 365.842 3.361 20 30 FGEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000790337354 723128271 /nfs/dbraw/zinc/12/82/71/723128271.db2.gz GYPKJHJLALNNLA-UHFFFAOYSA-N -1 1 372.324 3.130 20 30 FGEDMM COc1ccc([O-])c(C(=O)/C=C\c2c(Br)c(C)nn2C)c1 ZINC000790601598 723157102 /nfs/dbraw/zinc/15/71/02/723157102.db2.gz VWONYJVOYDFGSP-ALCCZGGFSA-N -1 1 351.200 3.101 20 30 FGEDMM C#C[C@@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000791205978 723220199 /nfs/dbraw/zinc/22/01/99/723220199.db2.gz YUSOROPWFXGCOX-INIZCTEOSA-N -1 1 356.447 3.019 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(F)c(S(C)(=O)=O)c2)n1 ZINC000793165199 723405666 /nfs/dbraw/zinc/40/56/66/723405666.db2.gz USXISNDEUXKSKY-LLVKDONJSA-N -1 1 366.439 3.299 20 30 FGEDMM O=C(/C=C\c1ncc(I)s1)c1ccc([O-])cc1 ZINC000794689534 723541122 /nfs/dbraw/zinc/54/11/22/723541122.db2.gz BRQLWUBXKLFHJK-WAYWQWQTSA-N -1 1 357.172 3.349 20 30 FGEDMM CC(C)(C)c1cc(C=Nn2c(=O)cn[n-]c2=S)cc(C(C)(C)C)c1O ZINC000766475753 723575830 /nfs/dbraw/zinc/57/58/30/723575830.db2.gz YUFYQETZDRNEMG-UHFFFAOYSA-N -1 1 360.483 3.110 20 30 FGEDMM C#CCCN(CC(F)(F)F)C(=O)c1ccc(Br)cc1[O-] ZINC000768618863 723663643 /nfs/dbraw/zinc/66/36/43/723663643.db2.gz YKLPATBMNACRLZ-UHFFFAOYSA-N -1 1 350.134 3.183 20 30 FGEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000769636075 723691050 /nfs/dbraw/zinc/69/10/50/723691050.db2.gz OIHYYZIELUXKHQ-MRXNPFEDSA-N -1 1 355.825 3.068 20 30 FGEDMM C#C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000770361231 723711897 /nfs/dbraw/zinc/71/18/97/723711897.db2.gz MLNWPAILCDFQRS-ZCFIWIBFSA-N -1 1 357.056 3.056 20 30 FGEDMM COc1ccc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Cl ZINC000773080664 723776164 /nfs/dbraw/zinc/77/61/64/723776164.db2.gz XBBPOQIKUJTZBL-UHFFFAOYSA-N -1 1 351.746 3.417 20 30 FGEDMM COc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)c(Br)c1 ZINC000776177464 724116120 /nfs/dbraw/zinc/11/61/20/724116120.db2.gz ONIRQIICRWDAMN-UHFFFAOYSA-N -1 1 351.204 3.098 20 30 FGEDMM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000776627013 724165356 /nfs/dbraw/zinc/16/53/56/724165356.db2.gz FJUGXDYKDYRMCX-UHFFFAOYSA-N -1 1 357.797 3.308 20 30 FGEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000788061279 725042451 /nfs/dbraw/zinc/04/24/51/725042451.db2.gz AWMWPPOWBOGILC-UHFFFAOYSA-N -1 1 368.655 3.323 20 30 FGEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788430386 725063950 /nfs/dbraw/zinc/06/39/50/725063950.db2.gz UPYIHNPUPUIATP-DTWKUNHWSA-N -1 1 362.846 3.375 20 30 FGEDMM C[C@@H](COc1ccccc1)NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000811665302 725376116 /nfs/dbraw/zinc/37/61/16/725376116.db2.gz NNCCKVFTPDNKMC-NSHDSACASA-N -1 1 365.227 3.251 20 30 FGEDMM COc1c(O)cccc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000812443020 725397301 /nfs/dbraw/zinc/39/73/01/725397301.db2.gz LNNYJYMFMBHZPW-UHFFFAOYSA-N -1 1 372.475 3.456 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812525740 725399236 /nfs/dbraw/zinc/39/92/36/725399236.db2.gz LMAUUXOTXMSMDR-CYBMUJFWSA-N -1 1 368.773 3.040 20 30 FGEDMM Brc1cc2c(s1)CCCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000814813465 727003424 /nfs/dbraw/zinc/00/34/24/727003424.db2.gz DVIOJNMATVKSAD-UHFFFAOYSA-N -1 1 363.244 3.329 20 30 FGEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)o1 ZINC000815910321 727106555 /nfs/dbraw/zinc/10/65/55/727106555.db2.gz UZHCCDYUJPMSEF-NSHDSACASA-N -1 1 361.785 3.169 20 30 FGEDMM C=CCN(C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)C1CC1 ZINC000836741336 729967931 /nfs/dbraw/zinc/96/79/31/729967931.db2.gz YBADPPWHQAPHFD-UHFFFAOYSA-N -1 1 355.360 3.356 20 30 FGEDMM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845832573 730900954 /nfs/dbraw/zinc/90/09/54/730900954.db2.gz FCNCTSSBEKHZIT-AAEUAGOBSA-N -1 1 361.463 3.496 20 30 FGEDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)c(F)cc1F ZINC000872009509 735574786 /nfs/dbraw/zinc/57/47/86/735574786.db2.gz ZSYSFYOOSBCNNK-UHFFFAOYSA-N -1 1 354.382 3.032 20 30 FGEDMM CSc1nnc(SC)n1N=Cc1cc(C)cc(Br)c1[O-] ZINC000872417617 735627129 /nfs/dbraw/zinc/62/71/29/735627129.db2.gz HBXPEQQGSHGLSH-UHFFFAOYSA-N -1 1 373.301 3.381 20 30 FGEDMM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675922 739179308 /nfs/dbraw/zinc/17/93/08/739179308.db2.gz FOGPJCNFHJKEFB-MRXNPFEDSA-N -1 1 356.781 3.385 20 30 FGEDMM C=CCOc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1OC ZINC000901788870 743641696 /nfs/dbraw/zinc/64/16/96/743641696.db2.gz XBDTYDJVPYCZSI-MRXNPFEDSA-N -1 1 359.344 3.099 20 30 FGEDMM COc1ccc(O)c(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000916368622 758074830 /nfs/dbraw/zinc/07/48/30/758074830.db2.gz KJAROHPTAWZJSF-UHFFFAOYSA-N -1 1 372.475 3.456 20 30 FGEDMM N#C[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000928216867 760117685 /nfs/dbraw/zinc/11/76/85/760117685.db2.gz ZIQYMCBTLQJPOE-JTQLQIEISA-N -1 1 360.211 3.079 20 30 FGEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000567974974 505587166 /nfs/dbraw/zinc/58/71/66/505587166.db2.gz FTZKERJPMASMSE-UHFFFAOYSA-N -1 1 350.827 3.353 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)CCC2CCCCC2)ncc1Br ZINC000580036246 505666476 /nfs/dbraw/zinc/66/64/76/505666476.db2.gz QDMFSADEDQJLCP-UHFFFAOYSA-N -1 1 372.288 3.428 20 30 FGEDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1C#N ZINC000568331772 505668084 /nfs/dbraw/zinc/66/80/84/505668084.db2.gz QIAKUOHINVYYKI-QMMMGPOBSA-N -1 1 350.350 3.111 20 30 FGEDMM N#CCc1cccc(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)c1 ZINC000068424858 493816662 /nfs/dbraw/zinc/81/66/62/493816662.db2.gz NLMSAZXUFCNUMB-UHFFFAOYSA-N -1 1 367.478 3.361 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1Cl ZINC000076936600 493991488 /nfs/dbraw/zinc/99/14/88/493991488.db2.gz FWURVIHWEXGHEX-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000083536704 494017723 /nfs/dbraw/zinc/01/77/23/494017723.db2.gz FAVYXANRBPELSH-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2NC1=O ZINC000041497825 494165332 /nfs/dbraw/zinc/16/53/32/494165332.db2.gz FSROKNZTWJLRNY-JQWIXIFHSA-N -1 1 362.414 3.486 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(CNC(=O)NC(C)C)cc2)n1 ZINC000041518722 494166730 /nfs/dbraw/zinc/16/67/30/494166730.db2.gz VFYZUMQMBXCLBI-OAHLLOKOSA-N -1 1 356.451 3.149 20 30 FGEDMM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000016127299 494379274 /nfs/dbraw/zinc/37/92/74/494379274.db2.gz CZACWRXZPAKINN-UHFFFAOYSA-N -1 1 369.368 3.444 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2Cn2cncn2)n1 ZINC000080458900 494708637 /nfs/dbraw/zinc/70/86/37/494708637.db2.gz BRRNBMAODKEIEB-HNNXBMFYSA-N -1 1 351.435 3.396 20 30 FGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000047533858 494727846 /nfs/dbraw/zinc/72/78/46/494727846.db2.gz PYAJRPMVWSOCBJ-OAHLLOKOSA-N -1 1 371.462 3.109 20 30 FGEDMM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000075536162 494788577 /nfs/dbraw/zinc/78/85/77/494788577.db2.gz AANKVGBGWXPPPE-UHFFFAOYSA-N -1 1 363.340 3.059 20 30 FGEDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000119627425 495205102 /nfs/dbraw/zinc/20/51/02/495205102.db2.gz XALJRRQZQPSVRX-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)CC#N)c2)c1 ZINC000103443078 495233037 /nfs/dbraw/zinc/23/30/37/495233037.db2.gz XBVBMWZJDMCGIT-HNNXBMFYSA-N -1 1 371.462 3.170 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cccc1[N+](=O)[O-] ZINC000135685995 495325451 /nfs/dbraw/zinc/32/54/51/495325451.db2.gz UYFUXNIAPWVGCJ-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM N#C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCN1Cc1ccccc1 ZINC000114310826 495361047 /nfs/dbraw/zinc/36/10/47/495361047.db2.gz XFZWAMBAXRQSLZ-FQEVSTJZSA-N -1 1 371.440 3.396 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1C(=O)NC(C)C ZINC000114674166 495407638 /nfs/dbraw/zinc/40/76/38/495407638.db2.gz OOZMXMOWNQYUEA-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000120629619 495421316 /nfs/dbraw/zinc/42/13/16/495421316.db2.gz JQJUGXZHSJOJBT-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000125308743 495423626 /nfs/dbraw/zinc/42/36/26/495423626.db2.gz VHKFXMQKYJPULB-UHFFFAOYSA-N -1 1 365.842 3.453 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)o1 ZINC000577716437 505782029 /nfs/dbraw/zinc/78/20/29/505782029.db2.gz XJUCTOFEAYYSJW-UHFFFAOYSA-N -1 1 358.341 3.081 20 30 FGEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000174046434 495801795 /nfs/dbraw/zinc/80/17/95/495801795.db2.gz PPINNOPOYMAXHW-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCCC#N)cc1 ZINC000171593931 495941112 /nfs/dbraw/zinc/94/11/12/495941112.db2.gz TUSAUHUYDZXPKO-UHFFFAOYSA-N -1 1 371.462 3.220 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(F)cc3F)nc(=O)c2c1C ZINC000155447661 495958711 /nfs/dbraw/zinc/95/87/11/495958711.db2.gz MSVNSUBEAXFOTL-JTQLQIEISA-N -1 1 374.372 3.126 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000174737087 496083068 /nfs/dbraw/zinc/08/30/68/496083068.db2.gz POLPGNCFFDDOKJ-UHFFFAOYSA-N -1 1 354.435 3.361 20 30 FGEDMM C=C(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000161246200 496137156 /nfs/dbraw/zinc/13/71/56/496137156.db2.gz XLGHPIGXCRVTTP-UHFFFAOYSA-N -1 1 362.426 3.241 20 30 FGEDMM CCN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000161531234 496193898 /nfs/dbraw/zinc/19/38/98/496193898.db2.gz PIGIZDUFSWXHAB-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM COc1ccccc1CC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000187962551 496633390 /nfs/dbraw/zinc/63/33/90/496633390.db2.gz HZIYORHJXYKFBF-UHFFFAOYSA-N -1 1 350.418 3.367 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000263816430 496734414 /nfs/dbraw/zinc/73/44/14/496734414.db2.gz KZFMKPYQIQIZMG-HNNXBMFYSA-N -1 1 371.462 3.136 20 30 FGEDMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188426673 496787494 /nfs/dbraw/zinc/78/74/94/496787494.db2.gz ASYVJHBRQYMMKP-QGZVFWFLSA-N -1 1 353.397 3.110 20 30 FGEDMM CCc1cc(=O)[n-]c(SCC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000195068779 496811831 /nfs/dbraw/zinc/81/18/31/496811831.db2.gz ITRIEGSUWHLIIQ-UHFFFAOYSA-N -1 1 354.353 3.375 20 30 FGEDMM N#Cc1ccc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)cc1[O-] ZINC000188619023 496853661 /nfs/dbraw/zinc/85/36/61/496853661.db2.gz OALTVNXQKRFBLP-IBGZPJMESA-N -1 1 350.418 3.128 20 30 FGEDMM N#Cc1ccc(Br)c(CS(=O)(=O)c2ccc([O-])cc2)c1 ZINC000191722760 496868111 /nfs/dbraw/zinc/86/81/11/496868111.db2.gz CNMYBYYIWOZQGK-UHFFFAOYSA-N -1 1 352.209 3.000 20 30 FGEDMM N#Cc1ccc(C(=O)NCC2(CCOCc3ccccc3)CC2)cc1[O-] ZINC000189220342 497049232 /nfs/dbraw/zinc/04/92/32/497049232.db2.gz NRXGWRUWWBODOC-UHFFFAOYSA-N -1 1 350.418 3.381 20 30 FGEDMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000189948046 497303111 /nfs/dbraw/zinc/30/31/11/497303111.db2.gz FXGWHGPOEJANDB-QGZVFWFLSA-N -1 1 352.390 3.258 20 30 FGEDMM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190918706 497646161 /nfs/dbraw/zinc/64/61/61/497646161.db2.gz GSHSJMWYYNBWBQ-INIZCTEOSA-N -1 1 358.401 3.212 20 30 FGEDMM CCc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)[n-]c(=O)c1C ZINC000578454200 505943463 /nfs/dbraw/zinc/94/34/63/505943463.db2.gz SLQNZSUPGKOWCQ-AWEZNQCLSA-N -1 1 370.478 3.481 20 30 FGEDMM Cc1ccc(-c2cnccn2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000373511569 499474211 /nfs/dbraw/zinc/47/42/11/499474211.db2.gz ZOVCTKIYAXCDOV-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM C=CCCc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000410345240 499656266 /nfs/dbraw/zinc/65/62/66/499656266.db2.gz OSPWUUQPSPLXLM-UHFFFAOYSA-N -1 1 350.378 3.115 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(NC(=O)c2ccoc2C)c1 ZINC000416939917 500162393 /nfs/dbraw/zinc/16/23/93/500162393.db2.gz NUTYIKRMSCBLAI-GFCCVEGCSA-N -1 1 365.386 3.023 20 30 FGEDMM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427208460 500367654 /nfs/dbraw/zinc/36/76/54/500367654.db2.gz FNTATKOYIAWODO-UHFFFAOYSA-N -1 1 350.440 3.404 20 30 FGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432180861 500480715 /nfs/dbraw/zinc/48/07/15/500480715.db2.gz YDCBDMFOFGFQHO-UHFFFAOYSA-N -1 1 367.430 3.130 20 30 FGEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000432634835 500541195 /nfs/dbraw/zinc/54/11/95/500541195.db2.gz UXWPSBCBJDMVDJ-UHFFFAOYSA-N -1 1 372.450 3.117 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1[O-] ZINC000442853174 500634919 /nfs/dbraw/zinc/63/49/19/500634919.db2.gz IURJJUHWOYNKRH-UHFFFAOYSA-N -1 1 370.355 3.277 20 30 FGEDMM C=CCCCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000448144021 500723228 /nfs/dbraw/zinc/72/32/28/500723228.db2.gz ZPVOULLFWDKYLQ-UHFFFAOYSA-N -1 1 373.478 3.253 20 30 FGEDMM COc1cc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc(Br)c1[O-] ZINC000445398696 500980505 /nfs/dbraw/zinc/98/05/05/500980505.db2.gz XRJUYEKZUKZNRP-UHFFFAOYSA-N -1 1 361.155 3.080 20 30 FGEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435727045 501018931 /nfs/dbraw/zinc/01/89/31/501018931.db2.gz CQTKMVUOGXFYQW-CQSZACIVSA-N -1 1 372.446 3.019 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)ccc1C#N ZINC000435751321 501023153 /nfs/dbraw/zinc/02/31/53/501023153.db2.gz FWYPEMQFQDMTEN-UHFFFAOYSA-N -1 1 372.450 3.197 20 30 FGEDMM C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1OC ZINC000436502698 501141401 /nfs/dbraw/zinc/14/14/01/501141401.db2.gz FFWRWSJXEIMWTO-UHFFFAOYSA-N -1 1 357.362 3.005 20 30 FGEDMM N#Cc1ccc(OC2CCC(NC(=O)c3cc(Cl)ccc3[O-])CC2)nc1 ZINC000436698513 501190464 /nfs/dbraw/zinc/19/04/64/501190464.db2.gz MYXLMUJVAZMMJN-UHFFFAOYSA-N -1 1 371.824 3.432 20 30 FGEDMM COc1cc(-c2noc(-c3ccnc(C#N)c3)n2)cc(Br)c1[O-] ZINC000436881885 501226545 /nfs/dbraw/zinc/22/65/45/501226545.db2.gz YWHYTTFRTOPGNI-UHFFFAOYSA-N -1 1 373.166 3.147 20 30 FGEDMM N#CCc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(Cl)c1 ZINC000450995381 501237646 /nfs/dbraw/zinc/23/76/46/501237646.db2.gz DPMVMJOZFJSGSY-UHFFFAOYSA-N -1 1 352.765 3.169 20 30 FGEDMM N#CCc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(Cl)c1 ZINC000451031084 501240580 /nfs/dbraw/zinc/24/05/80/501240580.db2.gz ZLSNJTIPYDHLHQ-GFCCVEGCSA-N -1 1 352.765 3.025 20 30 FGEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000451815748 501378528 /nfs/dbraw/zinc/37/85/28/501378528.db2.gz XDQAYZWMDDNUKY-UHFFFAOYSA-N -1 1 366.266 3.271 20 30 FGEDMM COC(=O)c1c(F)ccc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1F ZINC000485180942 501748852 /nfs/dbraw/zinc/74/88/52/501748852.db2.gz VTGQJHCTNWKFSR-UHFFFAOYSA-N -1 1 352.243 3.154 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)c1 ZINC000589187765 506476090 /nfs/dbraw/zinc/47/60/90/506476090.db2.gz ROYYIGADUVQEJA-UHFFFAOYSA-N -1 1 357.167 3.155 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000465118192 502195632 /nfs/dbraw/zinc/19/56/32/502195632.db2.gz VYSQZMQMMTYFGJ-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000465148368 502201997 /nfs/dbraw/zinc/20/19/97/502201997.db2.gz QLLDSBXKGGDTAQ-CQSZACIVSA-N -1 1 374.462 3.190 20 30 FGEDMM C=CCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000469883472 502583942 /nfs/dbraw/zinc/58/39/42/502583942.db2.gz IQZIBQJVOYZDNL-UHFFFAOYSA-N -1 1 362.426 3.275 20 30 FGEDMM C=CCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000469892477 502587008 /nfs/dbraw/zinc/58/70/08/502587008.db2.gz ZMQOOKMWCJAJSF-UHFFFAOYSA-N -1 1 362.426 3.275 20 30 FGEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477128568 502685874 /nfs/dbraw/zinc/68/58/74/502685874.db2.gz VYWFMLJMAHBFBC-UHFFFAOYSA-N -1 1 362.389 3.450 20 30 FGEDMM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)nc1 ZINC000496723529 502901782 /nfs/dbraw/zinc/90/17/82/502901782.db2.gz PZDRQCRVHMUVHP-AWEZNQCLSA-N -1 1 353.426 3.067 20 30 FGEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509716081 502974237 /nfs/dbraw/zinc/97/42/37/502974237.db2.gz YWKSQNTYKACCSQ-SNVBAGLBSA-N -1 1 366.266 3.413 20 30 FGEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000514832964 503204170 /nfs/dbraw/zinc/20/41/70/503204170.db2.gz XHNGFJQGNLMUNS-UHFFFAOYSA-N -1 1 354.790 3.298 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000507924616 503397161 /nfs/dbraw/zinc/39/71/61/503397161.db2.gz YOUMUAPQSAIUCY-UHFFFAOYSA-N -1 1 371.340 3.141 20 30 FGEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000516456378 503514770 /nfs/dbraw/zinc/51/47/70/503514770.db2.gz WZDYNHDKQYDALZ-JQWIXIFHSA-N -1 1 357.884 3.424 20 30 FGEDMM C=CC[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000495024869 503650069 /nfs/dbraw/zinc/65/00/69/503650069.db2.gz FRXPTHUEZDZNQK-MRXNPFEDSA-N -1 1 374.462 3.365 20 30 FGEDMM CSc1nc([O-])c(C(=O)N=c2[nH]n(C3CCCCC3)cc2C)cc1C#N ZINC000544305892 504081701 /nfs/dbraw/zinc/08/17/01/504081701.db2.gz QQTOJWFTLURBAV-UHFFFAOYSA-N -1 1 371.466 3.065 20 30 FGEDMM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000548191087 504364288 /nfs/dbraw/zinc/36/42/88/504364288.db2.gz HFAMYPUKJYKOCP-UHFFFAOYSA-N -1 1 372.071 3.336 20 30 FGEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000538848771 504391836 /nfs/dbraw/zinc/39/18/36/504391836.db2.gz NYYRWCNDFXYFLA-CYBMUJFWSA-N -1 1 358.316 3.388 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CCCC2)o1 ZINC000565708773 504964706 /nfs/dbraw/zinc/96/47/06/504964706.db2.gz QLMDIEQCMMJRRA-UHFFFAOYSA-N -1 1 366.389 3.220 20 30 FGEDMM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1Cc1ccccc1 ZINC000566954074 505321160 /nfs/dbraw/zinc/32/11/60/505321160.db2.gz ZHLHRSJCGZWBQT-MRXNPFEDSA-N -1 1 369.428 3.388 20 30 FGEDMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000561562513 505378987 /nfs/dbraw/zinc/37/89/87/505378987.db2.gz YEYJGKAAQAZGHL-JDNHERCYSA-N -1 1 366.801 3.151 20 30 FGEDMM Cc1cc(-c2noc([C@@H](C)NC(=O)c3cc([O-])cc(C#N)c3)n2)ccc1F ZINC000589189597 506477886 /nfs/dbraw/zinc/47/78/86/506477886.db2.gz JZBFZXPAKBPURJ-LLVKDONJSA-N -1 1 366.352 3.252 20 30 FGEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000589551802 506583339 /nfs/dbraw/zinc/58/33/39/506583339.db2.gz IJYOJXNSNXQRLI-UHFFFAOYSA-N -1 1 354.790 3.298 20 30 FGEDMM CC(C)C[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000608823488 506720323 /nfs/dbraw/zinc/72/03/23/506720323.db2.gz SKCRLQSNCNZHFT-QGZVFWFLSA-N -1 1 371.462 3.155 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000609219783 506817097 /nfs/dbraw/zinc/81/70/97/506817097.db2.gz XHLYYQPJXKBIGO-UHFFFAOYSA-N -1 1 365.414 3.333 20 30 FGEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000600777978 507116366 /nfs/dbraw/zinc/11/63/66/507116366.db2.gz DFBOZFDBJJTMEO-UHFFFAOYSA-N -1 1 357.353 3.147 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000591111270 507119993 /nfs/dbraw/zinc/11/99/93/507119993.db2.gz AQAYACPPSSMAJR-AWEZNQCLSA-N -1 1 358.438 3.238 20 30 FGEDMM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594759076 507270361 /nfs/dbraw/zinc/27/03/61/507270361.db2.gz SJUKETFQGFKRSR-ZCFIWIBFSA-N -1 1 372.071 3.194 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000591833912 507384830 /nfs/dbraw/zinc/38/48/30/507384830.db2.gz SPFKTKFVSOLKGA-UHFFFAOYSA-N -1 1 360.417 3.235 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000614297005 507445817 /nfs/dbraw/zinc/44/58/17/507445817.db2.gz IHXNOWBOLRZBPG-UHFFFAOYSA-N -1 1 357.797 3.066 20 30 FGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000614300828 507446350 /nfs/dbraw/zinc/44/63/50/507446350.db2.gz WJKXROJKYRWITJ-SNVBAGLBSA-N -1 1 368.780 3.458 20 30 FGEDMM Cc1ccc(Cn2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2=O)cc1 ZINC000614301674 507448223 /nfs/dbraw/zinc/44/82/23/507448223.db2.gz SYQMNWDONJCVRR-UHFFFAOYSA-N -1 1 359.385 3.035 20 30 FGEDMM COc1ccccc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccn1 ZINC000614302656 507448320 /nfs/dbraw/zinc/44/83/20/507448320.db2.gz XMVUTJJEGNWWQH-HXUWFJFHSA-N -1 1 359.385 3.187 20 30 FGEDMM COc1ccc2c(c1)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CCC2 ZINC000737113690 599151165 /nfs/dbraw/zinc/15/11/65/599151165.db2.gz DRQGTVOGSLGAMK-UHFFFAOYSA-N -1 1 367.413 3.139 20 30 FGEDMM Cc1ccc2[nH]cc(CN=Nc3oc(CC(C)C)nc3-c3nn[n-]n3)c2c1 ZINC000737372212 599285667 /nfs/dbraw/zinc/28/56/67/599285667.db2.gz BETWIWHOGGGYJK-UHFFFAOYSA-N -1 1 364.413 3.289 20 30 FGEDMM N#Cc1cccc(Oc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)c1 ZINC000737730441 598557361 /nfs/dbraw/zinc/55/73/61/598557361.db2.gz KWZGYVZDOJYBAF-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1cccc(Oc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)c1 ZINC000737730441 598557362 /nfs/dbraw/zinc/55/73/62/598557362.db2.gz KWZGYVZDOJYBAF-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000833071381 604508630 /nfs/dbraw/zinc/50/86/30/604508630.db2.gz GMXFFBQFZAXLBI-IBGZPJMESA-N -1 1 369.852 3.155 20 30 FGEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(Br)cc1F ZINC000833408176 605040529 /nfs/dbraw/zinc/04/05/29/605040529.db2.gz XEVCZJICYVZPIV-VIFPVBQESA-N -1 1 354.179 3.481 20 30 FGEDMM N#Cc1ccc(CN[C@@H]2C[C@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)cc1 ZINC000833971970 605632390 /nfs/dbraw/zinc/63/23/90/605632390.db2.gz QXVBELAXRNNREX-NQIIRXRSSA-N -1 1 363.417 3.294 20 30 FGEDMM CC(C)CC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccccn1 ZINC000820050649 607148293 /nfs/dbraw/zinc/14/82/93/607148293.db2.gz DPMALDKWAGNKLN-UHFFFAOYSA-N -1 1 354.418 3.235 20 30 FGEDMM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000826399630 608092360 /nfs/dbraw/zinc/09/23/60/608092360.db2.gz AVEJZRRIRLLMMA-VKDZAETISA-N -1 1 353.363 3.289 20 30 FGEDMM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000826399630 608092361 /nfs/dbraw/zinc/09/23/61/608092361.db2.gz AVEJZRRIRLLMMA-VKDZAETISA-N -1 1 353.363 3.289 20 30 FGEDMM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400403 608093002 /nfs/dbraw/zinc/09/30/02/608093002.db2.gz YLOJZPMVHOOORM-RQOWECAXSA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400403 608093003 /nfs/dbraw/zinc/09/30/03/608093003.db2.gz YLOJZPMVHOOORM-RQOWECAXSA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826399668 608093904 /nfs/dbraw/zinc/09/39/04/608093904.db2.gz BXPKJKYFGVJIRN-WAYWQWQTSA-N -1 1 366.381 3.354 20 30 FGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826399668 608093905 /nfs/dbraw/zinc/09/39/05/608093905.db2.gz BXPKJKYFGVJIRN-WAYWQWQTSA-N -1 1 366.381 3.354 20 30 FGEDMM C=CCn1c(Cc2csc(NC(=O)C[C@H]3C=CCC3)n2)n[n-]c1=S ZINC000023041889 695659380 /nfs/dbraw/zinc/65/93/80/695659380.db2.gz OSOACVCTMTYFTC-NSHDSACASA-N -1 1 361.496 3.469 20 30 FGEDMM C[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000023416075 695661552 /nfs/dbraw/zinc/66/15/52/695661552.db2.gz SKHMOIGJNRZLSI-LLVKDONJSA-N -1 1 364.810 3.210 20 30 FGEDMM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccc2cn[nH]c21 ZINC000048586795 695884359 /nfs/dbraw/zinc/88/43/59/695884359.db2.gz BMEFCZXATJSFBF-UHFFFAOYSA-N -1 1 369.324 3.275 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2Cl)c(=O)o1 ZINC000172814238 705430580 /nfs/dbraw/zinc/43/05/80/705430580.db2.gz FMEVYXDFHSZOLA-LYKUJDHUSA-N -1 1 369.598 3.331 20 30 FGEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1Cl ZINC000179025161 705685665 /nfs/dbraw/zinc/68/56/65/705685665.db2.gz WMCNXRAERFZJCM-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C#CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000184308245 712670657 /nfs/dbraw/zinc/67/06/57/712670657.db2.gz BUIFOBWQMGTOBA-UHFFFAOYSA-N -1 1 356.447 3.475 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(CC(C)C)n2)cc1 ZINC000195286918 713551854 /nfs/dbraw/zinc/55/18/54/713551854.db2.gz ZJCVIQGUDIRZHC-CQSZACIVSA-N -1 1 357.435 3.311 20 30 FGEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461826 714838354 /nfs/dbraw/zinc/83/83/54/714838354.db2.gz PFKKLSQKAHFUOP-UHFFFAOYSA-N -1 1 357.435 3.210 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000781021887 724521471 /nfs/dbraw/zinc/52/14/71/724521471.db2.gz TWHQWWMJMUNJRM-AWEZNQCLSA-N -1 1 361.195 3.007 20 30 FGEDMM CC(N=Nc1cc(Cl)nc(N)n1)c1cc(Br)cc(F)c1[O-] ZINC000783862015 724797324 /nfs/dbraw/zinc/79/73/24/724797324.db2.gz KMNVMPCECSWAEP-UHFFFAOYSA-N -1 1 374.601 3.156 20 30 FGEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000783840125 724795282 /nfs/dbraw/zinc/79/52/82/724795282.db2.gz CJCMCWWVXXXSCT-SFHVURJKSA-N -1 1 359.451 3.454 20 30 FGEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc2cc(F)ccc2s1 ZINC000684008904 722317445 /nfs/dbraw/zinc/31/74/45/722317445.db2.gz NPJGDPUVMUCBEC-VIFPVBQESA-N -1 1 350.325 3.387 20 30 FGEDMM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000726733222 722437404 /nfs/dbraw/zinc/43/74/04/722437404.db2.gz SJAFIUYSLBQGGJ-OAHLLOKOSA-N -1 1 352.781 3.486 20 30 FGEDMM CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000728507976 722452134 /nfs/dbraw/zinc/45/21/34/722452134.db2.gz KVZHKAUPLZVGGF-UHFFFAOYSA-N -1 1 361.448 3.133 20 30 FGEDMM COc1ccc(CN=Nc2cc(F)c(F)cc2F)c(OCC(=O)[O-])c1 ZINC000734365225 722506521 /nfs/dbraw/zinc/50/65/21/722506521.db2.gz UZYRIALUNMJVAS-UHFFFAOYSA-N -1 1 354.284 3.022 20 30 FGEDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000748656056 722700607 /nfs/dbraw/zinc/70/06/07/722700607.db2.gz FPCOZHJSHAXDPF-UHFFFAOYSA-N -1 1 355.375 3.150 20 30 FGEDMM COc1ccc(C(=O)[N-]C(=O)CSc2ccc(C#N)cc2Cl)cc1 ZINC000757392703 722976325 /nfs/dbraw/zinc/97/63/25/722976325.db2.gz QUKSXBJMWYFLFP-UHFFFAOYSA-N -1 1 360.822 3.269 20 30 FGEDMM O=c1[nH]c(NN=Cc2cccc(Br)c2[O-])nc2ccccc12 ZINC000757582662 722977219 /nfs/dbraw/zinc/97/72/19/722977219.db2.gz FHOJFAXRZDVDBZ-UHFFFAOYSA-N -1 1 359.183 3.250 20 30 FGEDMM O=C([O-])c1ccc2c(C=NNc3cccc(Br)c3)n[nH]c2c1 ZINC000765562682 723523935 /nfs/dbraw/zinc/52/39/35/723523935.db2.gz HPIMLETZGKNKON-UHFFFAOYSA-N -1 1 359.183 3.470 20 30 FGEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000770391855 723712838 /nfs/dbraw/zinc/71/28/38/723712838.db2.gz ZLZDYRCANRSFDU-SSDOTTSWSA-N -1 1 356.694 3.244 20 30 FGEDMM CC#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000773865128 723831529 /nfs/dbraw/zinc/83/15/29/723831529.db2.gz UKRGKQGGTPSPRY-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(F)cc1 ZINC000812526340 725399214 /nfs/dbraw/zinc/39/92/14/725399214.db2.gz ZVYJHHYKITYKHY-GFCCVEGCSA-N -1 1 359.209 3.180 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(F)cc1 ZINC000812526077 725399259 /nfs/dbraw/zinc/39/92/59/725399259.db2.gz BQEFOYLLINNKPA-ZDUSSCGKSA-N -1 1 359.756 3.410 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC[C@H](c2ccccc2)C1 ZINC000814865800 727006945 /nfs/dbraw/zinc/00/69/45/727006945.db2.gz ZGUWLJGXAJDODP-AWEZNQCLSA-N -1 1 359.407 3.197 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000815983219 727113211 /nfs/dbraw/zinc/11/32/11/727113211.db2.gz UMBVIOHCCUAKEM-GFCCVEGCSA-N -1 1 363.191 3.426 20 30 FGEDMM C=CCC1(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCCC1 ZINC000832580996 729721716 /nfs/dbraw/zinc/72/17/16/729721716.db2.gz YSWYDNZXKHEBQL-IHRRRGAJSA-N -1 1 360.420 3.427 20 30 FGEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN[C@@H]2CCOC(C)(C)C2)cs1 ZINC000872365726 735620675 /nfs/dbraw/zinc/62/06/75/735620675.db2.gz DFYRULSCQMXSLK-LLVKDONJSA-N -1 1 354.476 3.371 20 30 FGEDMM C=CCOc1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1Cl ZINC000900071510 743057966 /nfs/dbraw/zinc/05/79/66/743057966.db2.gz RLLNGTZBEXVVOM-CQSZACIVSA-N -1 1 361.829 3.424 20 30 FGEDMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(C#N)CCSCC1 ZINC000935080956 761785607 /nfs/dbraw/zinc/78/56/07/761785607.db2.gz MAQOZIQVDRTKBT-UHFFFAOYSA-N -1 1 360.813 3.346 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000055548953 221071464 /nfs/dbraw/zinc/07/14/64/221071464.db2.gz MVOAEKDRQLUBJD-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM COc1cccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(=O)[O-])c1 ZINC000028352948 493787174 /nfs/dbraw/zinc/78/71/74/493787174.db2.gz UFFIERUXVVTRGS-VCHYOVAHSA-N -1 1 354.391 3.197 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000029329197 493833759 /nfs/dbraw/zinc/83/37/59/493833759.db2.gz VPEFNILAIFGVDV-UHFFFAOYSA-N -1 1 365.842 3.448 20 30 FGEDMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc[n+]([O-])c1 ZINC000049951043 493886559 /nfs/dbraw/zinc/88/65/59/493886559.db2.gz LSIPGGXCTOUNLR-UHFFFAOYSA-N -1 1 356.451 3.276 20 30 FGEDMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000050533972 493919979 /nfs/dbraw/zinc/91/99/79/493919979.db2.gz HEUGJYAOVYICNI-UHFFFAOYSA-N -1 1 371.462 3.053 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CCC#N)cc2)c1 ZINC000060617347 493948489 /nfs/dbraw/zinc/94/84/89/493948489.db2.gz ACVTXOHHRSEEHJ-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000083536710 494018016 /nfs/dbraw/zinc/01/80/16/494018016.db2.gz DQDZGAJEUQFISU-UHFFFAOYSA-N -1 1 351.309 3.250 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)CC#N)c2)c1 ZINC000064346040 494116319 /nfs/dbraw/zinc/11/63/19/494116319.db2.gz VCYGDUAOEPSFMG-HNNXBMFYSA-N -1 1 371.462 3.136 20 30 FGEDMM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043997140 494333696 /nfs/dbraw/zinc/33/36/96/494333696.db2.gz IWESORXTEUGBNR-UHFFFAOYSA-N -1 1 362.695 3.079 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c1 ZINC000055632260 494377122 /nfs/dbraw/zinc/37/71/22/494377122.db2.gz XVYVWPAYVOVCCS-UHFFFAOYSA-N -1 1 365.414 3.333 20 30 FGEDMM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000568546914 505719765 /nfs/dbraw/zinc/71/97/65/505719765.db2.gz RNVZOBNKYVDVAA-ZCFIWIBFSA-N -1 1 369.258 3.201 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1 ZINC000067659756 494602002 /nfs/dbraw/zinc/60/20/02/494602002.db2.gz MJIDSYBMFGPICS-UHFFFAOYSA-N -1 1 355.341 3.333 20 30 FGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000047533857 494729013 /nfs/dbraw/zinc/72/90/13/494729013.db2.gz PYAJRPMVWSOCBJ-HNNXBMFYSA-N -1 1 371.462 3.109 20 30 FGEDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)[nH]n1 ZINC000126793481 494839017 /nfs/dbraw/zinc/83/90/17/494839017.db2.gz DOUKSDOZNAHTIX-UHFFFAOYSA-N -1 1 352.847 3.324 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000134082870 495103141 /nfs/dbraw/zinc/10/31/41/495103141.db2.gz BVIBKHTVJKYHMT-MOPGFXCFSA-N -1 1 372.446 3.041 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(F)c1 ZINC000135364210 495282821 /nfs/dbraw/zinc/28/28/21/495282821.db2.gz NJPCXPNECOYOOP-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc(-c2ccncc2)cs1 ZINC000114621114 495400640 /nfs/dbraw/zinc/40/06/40/495400640.db2.gz GFJACWNMDZRIHI-CQSZACIVSA-N -1 1 363.402 3.186 20 30 FGEDMM N#CCCN(Cc1cccnc1)C(=O)c1cc(Br)ccc1[O-] ZINC000120693527 495436528 /nfs/dbraw/zinc/43/65/28/495436528.db2.gz TYJXJRGYDJMKRS-UHFFFAOYSA-N -1 1 360.211 3.106 20 30 FGEDMM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)[nH]n1 ZINC000182573008 495621459 /nfs/dbraw/zinc/62/14/59/495621459.db2.gz RQJHQKWFCPKQEF-UHFFFAOYSA-N -1 1 366.446 3.176 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000179730175 495709576 /nfs/dbraw/zinc/70/95/76/495709576.db2.gz FVDAWVIAAHDVJX-UHFFFAOYSA-N -1 1 374.462 3.190 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1OCC ZINC000571729229 505800161 /nfs/dbraw/zinc/80/01/61/505800161.db2.gz YTSBPCJOBWHYKG-UHFFFAOYSA-N -1 1 364.398 3.296 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1F ZINC000152651120 496214790 /nfs/dbraw/zinc/21/47/90/496214790.db2.gz NSYQSMMWZKTFGU-UHFFFAOYSA-N -1 1 364.398 3.294 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c2cccnc12 ZINC000569025612 505832419 /nfs/dbraw/zinc/83/24/19/505832419.db2.gz MFPFDAVWWUABNG-UHFFFAOYSA-N -1 1 357.366 3.055 20 30 FGEDMM C[C@@H](CC#N)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184149252 496259113 /nfs/dbraw/zinc/25/91/13/496259113.db2.gz OYQNUUSIQMZXGS-AWEZNQCLSA-N -1 1 372.450 3.253 20 30 FGEDMM C=C(C)CN(CC)C(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185051930 496638039 /nfs/dbraw/zinc/63/80/39/496638039.db2.gz GEEBGDOFFOJGKL-UHFFFAOYSA-N -1 1 357.479 3.262 20 30 FGEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000173355651 496656970 /nfs/dbraw/zinc/65/69/70/496656970.db2.gz XTNQGUOXMNCRNI-HNNXBMFYSA-N -1 1 368.842 3.033 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3Br)cc1[O-] ZINC000188151984 496702531 /nfs/dbraw/zinc/70/25/31/496702531.db2.gz ZTFHRZHKNRSUGX-HNNXBMFYSA-N -1 1 357.207 3.444 20 30 FGEDMM CC(C)(C#N)CCCS(=O)(=O)c1nc(-c2ccc3c(c2)CCC3)n[n-]1 ZINC000195210672 496850980 /nfs/dbraw/zinc/85/09/80/496850980.db2.gz HEDBTMKVMUHSMY-UHFFFAOYSA-N -1 1 358.467 3.064 20 30 FGEDMM CC(C)(C#N)CCCS(=O)(=O)c1n[n-]c(-c2ccc3c(c2)CCC3)n1 ZINC000195210672 496850987 /nfs/dbraw/zinc/85/09/87/496850987.db2.gz HEDBTMKVMUHSMY-UHFFFAOYSA-N -1 1 358.467 3.064 20 30 FGEDMM Cn1cc(CCNC(=O)c2ccc(C#N)c([O-])c2)c2ccc(Cl)cc21 ZINC000189268012 497064339 /nfs/dbraw/zinc/06/43/39/497064339.db2.gz NUUUKZAZJRDSJT-UHFFFAOYSA-N -1 1 353.809 3.381 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1[O-] ZINC000190729297 497587943 /nfs/dbraw/zinc/58/79/43/497587943.db2.gz XZDOHLPYBLZRSU-UHFFFAOYSA-N -1 1 358.344 3.226 20 30 FGEDMM Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350820381 498140564 /nfs/dbraw/zinc/14/05/64/498140564.db2.gz VGCQTHAJSVJGQL-UHFFFAOYSA-N -1 1 355.373 3.094 20 30 FGEDMM N#Cc1cc(Cl)ccc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000289439714 498147680 /nfs/dbraw/zinc/14/76/80/498147680.db2.gz JZZDOXVCFINSCY-NSHDSACASA-N -1 1 359.779 3.102 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000581678542 506042944 /nfs/dbraw/zinc/04/29/44/506042944.db2.gz RCBCTPQVYBCBPN-GWCFXTLKSA-N -1 1 356.403 3.133 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)ccc1C#N ZINC000332506082 498707524 /nfs/dbraw/zinc/70/75/24/498707524.db2.gz IGKAJOGLSFKIIX-UHFFFAOYSA-N -1 1 356.451 3.053 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC ZINC000321824518 498815395 /nfs/dbraw/zinc/81/53/95/498815395.db2.gz DKWYWELPHIEFGW-UHFFFAOYSA-N -1 1 352.799 3.030 20 30 FGEDMM Cc1cc(C)c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1 ZINC000325203722 498834337 /nfs/dbraw/zinc/83/43/37/498834337.db2.gz IKEIEXYDWPYQRQ-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1-c1ccncc1 ZINC000366763138 499063962 /nfs/dbraw/zinc/06/39/62/499063962.db2.gz SURLLLKAKZPLEM-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)o1 ZINC000368616528 499314170 /nfs/dbraw/zinc/31/41/70/499314170.db2.gz DJSVDTJPWPPYDQ-UHFFFAOYSA-N -1 1 350.446 3.342 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncccc2Cl)ccc1C(F)(F)F ZINC000410330278 499655305 /nfs/dbraw/zinc/65/53/05/499655305.db2.gz WVKGYOLDYUZNGS-UHFFFAOYSA-N -1 1 361.732 3.426 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425324604 500075202 /nfs/dbraw/zinc/07/52/02/500075202.db2.gz QOBMKGUDLKDCCI-UHFFFAOYSA-N -1 1 368.418 3.190 20 30 FGEDMM CN1C(=O)c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2C1=O ZINC000430597190 500260525 /nfs/dbraw/zinc/26/05/25/500260525.db2.gz PYYCRPBZMFSMLU-CYBMUJFWSA-N -1 1 367.430 3.156 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1[O-] ZINC000442955325 500652882 /nfs/dbraw/zinc/65/28/82/500652882.db2.gz KIIDZMOGOPEINA-UHFFFAOYSA-N -1 1 373.416 3.069 20 30 FGEDMM Cc1nc(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)sc1C ZINC000435225211 500945922 /nfs/dbraw/zinc/94/59/22/500945922.db2.gz IIVIESINRBGJDN-UHFFFAOYSA-N -1 1 374.409 3.109 20 30 FGEDMM COc1cc(C#N)ccc1OCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481398 500993211 /nfs/dbraw/zinc/99/32/11/500993211.db2.gz OPFDMVLUSRDFQY-UHFFFAOYSA-N -1 1 369.352 3.473 20 30 FGEDMM CC(C)(C#N)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000611617939 506229447 /nfs/dbraw/zinc/22/94/47/506229447.db2.gz VIWQJWABHJCSHC-UHFFFAOYSA-N -1 1 374.422 3.357 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)ccc1C#N ZINC000435751299 501023030 /nfs/dbraw/zinc/02/30/30/501023030.db2.gz FUQPQDUEQUFUGU-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)[nH]n2)o1 ZINC000446650451 501147996 /nfs/dbraw/zinc/14/79/96/501147996.db2.gz ZCJUDUZRKYKCFX-UHFFFAOYSA-N -1 1 362.798 3.304 20 30 FGEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436557794 501155921 /nfs/dbraw/zinc/15/59/21/501155921.db2.gz ONUVZMQFDCCDCC-MRXNPFEDSA-N -1 1 373.359 3.201 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000452088341 501432750 /nfs/dbraw/zinc/43/27/50/501432750.db2.gz NZERXCKYTNDWKZ-OCCSQVGLSA-N -1 1 350.827 3.419 20 30 FGEDMM C=CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000452773404 501560124 /nfs/dbraw/zinc/56/01/24/501560124.db2.gz BDRISZPMUNLIRK-SFHVURJKSA-N -1 1 366.461 3.478 20 30 FGEDMM C=C[C@@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464750644 502081508 /nfs/dbraw/zinc/08/15/08/502081508.db2.gz MPMXADZYAXKNDB-OAHLLOKOSA-N -1 1 373.478 3.203 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000465114525 502194688 /nfs/dbraw/zinc/19/46/88/502194688.db2.gz MOCUBVMDZLLHKZ-GFCCVEGCSA-N -1 1 364.854 3.445 20 30 FGEDMM N#C[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1cccc(Cl)c1Cl ZINC000476512554 502510257 /nfs/dbraw/zinc/51/02/57/502510257.db2.gz NSIHQARCTUZELT-NSHDSACASA-N -1 1 367.261 3.441 20 30 FGEDMM C=CCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000469885643 502584559 /nfs/dbraw/zinc/58/45/59/502584559.db2.gz WWIAGWIMVNUBOJ-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM CCCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000467144027 502801627 /nfs/dbraw/zinc/80/16/27/502801627.db2.gz KEXNQMBHHSKZJX-UHFFFAOYSA-N -1 1 366.389 3.104 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)cc2F)o1 ZINC000490454583 503177510 /nfs/dbraw/zinc/17/75/10/503177510.db2.gz KMRASHYYDZQQRD-UHFFFAOYSA-N -1 1 356.378 3.436 20 30 FGEDMM Cc1cc(N=C([O-])Nc2ncc(Cc3ccccc3)s2)nn1CCC#N ZINC000504658074 503601793 /nfs/dbraw/zinc/60/17/93/503601793.db2.gz NMQOWTBLGRTLES-UHFFFAOYSA-N -1 1 366.450 3.218 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000530146000 503853690 /nfs/dbraw/zinc/85/36/90/503853690.db2.gz XIOBWUNLWATMAG-UHFFFAOYSA-N -1 1 356.447 3.447 20 30 FGEDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553522816 504939278 /nfs/dbraw/zinc/93/92/78/504939278.db2.gz LXEMMWGZYVHQKI-LURJTMIESA-N -1 1 369.258 3.344 20 30 FGEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C#N)ccc1NC ZINC000557065092 505057627 /nfs/dbraw/zinc/05/76/27/505057627.db2.gz IQRXCDMPKPIHMS-UHFFFAOYSA-N -1 1 372.450 3.004 20 30 FGEDMM Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc([O-])cc(C#N)c3)cc2)n1 ZINC000589169693 506469182 /nfs/dbraw/zinc/46/91/82/506469182.db2.gz BJRGUGSTSCIAPQ-UHFFFAOYSA-N -1 1 360.417 3.039 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000589181843 506473092 /nfs/dbraw/zinc/47/30/92/506473092.db2.gz HLYZVTATKZBSAD-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC000589189321 506476006 /nfs/dbraw/zinc/47/60/06/506476006.db2.gz QKFGHNQDBLXUSC-IBGZPJMESA-N -1 1 366.417 3.060 20 30 FGEDMM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc([O-])cc(C#N)c3)n2)cc1 ZINC000589189657 506477201 /nfs/dbraw/zinc/47/72/01/506477201.db2.gz RXMIPVUHJDDNOD-GFCCVEGCSA-N -1 1 362.389 3.367 20 30 FGEDMM Cc1ccc(CS(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1F ZINC000583116411 506597071 /nfs/dbraw/zinc/59/70/71/506597071.db2.gz KSPBITMLYBOIGB-UHFFFAOYSA-N -1 1 361.442 3.322 20 30 FGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000603986506 506680978 /nfs/dbraw/zinc/68/09/78/506680978.db2.gz DLFBVHVAFOPGLV-UHFFFAOYSA-N -1 1 364.810 3.189 20 30 FGEDMM CCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OC ZINC000600665537 507054234 /nfs/dbraw/zinc/05/42/34/507054234.db2.gz UXWPSVCDMNCMLR-UHFFFAOYSA-N -1 1 360.435 3.465 20 30 FGEDMM C[C@H](C#N)N(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000598123716 507270709 /nfs/dbraw/zinc/27/07/09/507270709.db2.gz RCJKMJMYWZELAJ-CQSZACIVSA-N -1 1 369.446 3.004 20 30 FGEDMM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000598224351 507326251 /nfs/dbraw/zinc/32/62/51/507326251.db2.gz PSQYEKGJSPWGTE-SFHVURJKSA-N -1 1 354.381 3.395 20 30 FGEDMM COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc(OC)c1OC ZINC000584598644 507429119 /nfs/dbraw/zinc/42/91/19/507429119.db2.gz CKKOESBVRVVMQD-GQCTYLIASA-N -1 1 358.346 3.012 20 30 FGEDMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614298257 507445834 /nfs/dbraw/zinc/44/58/34/507445834.db2.gz SHLRZTNTGBHQLL-UHFFFAOYSA-N -1 1 351.406 3.178 20 30 FGEDMM Cc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(O)c1C ZINC000735450967 598567364 /nfs/dbraw/zinc/56/73/64/598567364.db2.gz LMOVGSCJGLMREM-UHFFFAOYSA-N -1 1 355.402 3.137 20 30 FGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc2c(c1)COC2 ZINC000819783477 599336421 /nfs/dbraw/zinc/33/64/21/599336421.db2.gz YCELHAPHKODYME-UHFFFAOYSA-N -1 1 367.413 3.019 20 30 FGEDMM CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000828587518 600750514 /nfs/dbraw/zinc/75/05/14/600750514.db2.gz SIRPCYNKZSYYAS-KUHUBIRLSA-N -1 1 372.396 3.431 20 30 FGEDMM COc1cc(F)c([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832004479 601305435 /nfs/dbraw/zinc/30/54/35/601305435.db2.gz PFVVGQRKHUDBHV-ZMZPIMSZSA-N -1 1 358.369 3.191 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC=CCc2ccc(F)cc2)o1 ZINC000824280047 607652677 /nfs/dbraw/zinc/65/26/77/607652677.db2.gz BUALHVNJZOKNNM-TWUMCCCFSA-N -1 1 355.377 3.303 20 30 FGEDMM C#CC[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1 ZINC000833361225 605134255 /nfs/dbraw/zinc/13/42/55/605134255.db2.gz YRQUEQVRPOHGEK-HNNXBMFYSA-N -1 1 368.458 3.228 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3cc(C)c(C)cc3o2)o1 ZINC000819782969 606433827 /nfs/dbraw/zinc/43/38/27/606433827.db2.gz RNXMKXLIHJFXKW-UHFFFAOYSA-N -1 1 351.370 3.362 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819857462 606556194 /nfs/dbraw/zinc/55/61/94/606556194.db2.gz RWWSZSDCEDMGGI-SNVBAGLBSA-N -1 1 370.463 3.432 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819857462 606556196 /nfs/dbraw/zinc/55/61/96/606556196.db2.gz RWWSZSDCEDMGGI-SNVBAGLBSA-N -1 1 370.463 3.432 20 30 FGEDMM CCC1(CC)C(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C[C@H]1OC ZINC000820958161 606819921 /nfs/dbraw/zinc/81/99/21/606819921.db2.gz RZJWOULIWWBXAJ-GFCCVEGCSA-N -1 1 361.450 3.046 20 30 FGEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(O)c(F)c1 ZINC000820833570 606988992 /nfs/dbraw/zinc/98/89/92/606988992.db2.gz ZCMWIYDFOYVAAM-UHFFFAOYSA-N -1 1 373.392 3.223 20 30 FGEDMM CC(C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)=Cc1ccc(Cl)cc1 ZINC000824384551 607807592 /nfs/dbraw/zinc/80/75/92/607807592.db2.gz DNICIWJXYWPXAS-KZUWMJRESA-N -1 1 368.828 3.236 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2coc(-c3ccccc3)n2)o1 ZINC000824353256 607886532 /nfs/dbraw/zinc/88/65/32/607886532.db2.gz ZRJYTFCKATYMCR-UHFFFAOYSA-N -1 1 364.369 3.079 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(-c2ccccc2)n1 ZINC000826359392 608213604 /nfs/dbraw/zinc/21/36/04/608213604.db2.gz FQXOSTMBAGAHDU-BQYQJAHWSA-N -1 1 362.418 3.225 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2ccccc2)n1 ZINC000826359392 608213605 /nfs/dbraw/zinc/21/36/05/608213605.db2.gz FQXOSTMBAGAHDU-BQYQJAHWSA-N -1 1 362.418 3.225 20 30 FGEDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000068716381 695943551 /nfs/dbraw/zinc/94/35/51/695943551.db2.gz CIPGTYDYRUNMAB-UHFFFAOYSA-N -1 1 358.419 3.234 20 30 FGEDMM N#CCc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000115527423 700586306 /nfs/dbraw/zinc/58/63/06/700586306.db2.gz IIJIMRDBODNISA-UHFFFAOYSA-N -1 1 355.448 3.374 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000122681512 700693987 /nfs/dbraw/zinc/69/39/87/700693987.db2.gz VSNTWFMWZHTGJQ-INIZCTEOSA-N -1 1 358.419 3.255 20 30 FGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc2c[nH]nc21 ZINC000130229018 700798351 /nfs/dbraw/zinc/79/83/51/700798351.db2.gz HOVKYIFMBDSRTC-GFCCVEGCSA-N -1 1 356.744 3.317 20 30 FGEDMM CSCCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000130956407 700808559 /nfs/dbraw/zinc/80/85/59/700808559.db2.gz UKUGSLSLIJQNOC-NSHDSACASA-N -1 1 361.492 3.183 20 30 FGEDMM COc1cc(Cl)c(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Cl ZINC000255689952 713704389 /nfs/dbraw/zinc/70/43/89/713704389.db2.gz FINGVQGKMBOMKR-ABCZVMIZSA-N -1 1 355.173 3.230 20 30 FGEDMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461235 714838363 /nfs/dbraw/zinc/83/83/63/714838363.db2.gz AEADYNHOXIXBQT-UHFFFAOYSA-N -1 1 357.435 3.148 20 30 FGEDMM N#CC(=C([O-])c1cnc2n1CCOC2)c1nc2cc(Cl)ccc2s1 ZINC000659053731 719859010 /nfs/dbraw/zinc/85/90/10/719859010.db2.gz TUOYZTMPYIYRRX-SNVBAGLBSA-N -1 1 358.810 3.166 20 30 FGEDMM C=CCCOCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000683593588 722302151 /nfs/dbraw/zinc/30/21/51/722302151.db2.gz OBLUFVSVZFQMOS-UHFFFAOYSA-N -1 1 355.188 3.306 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000730996424 722472507 /nfs/dbraw/zinc/47/25/07/722472507.db2.gz PJIDYLIQRGYKRS-UHFFFAOYSA-N -1 1 360.391 3.024 20 30 FGEDMM C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000736246372 722522461 /nfs/dbraw/zinc/52/24/61/722522461.db2.gz ZVHLGWVJJWGICL-UHFFFAOYSA-N -1 1 364.854 3.278 20 30 FGEDMM Cc1ccc(N=NCc2ccc(OCC(=O)[O-])c(Br)c2)nc1 ZINC000743438297 722567468 /nfs/dbraw/zinc/56/74/68/722567468.db2.gz MGAODDFYSPRGJR-UHFFFAOYSA-N -1 1 364.199 3.062 20 30 FGEDMM Cc1c(C(=O)[O-])oc2c1C(=NNc1ccc(C(F)(F)F)nn1)CCC2 ZINC000754710527 722944839 /nfs/dbraw/zinc/94/48/39/722944839.db2.gz ZWIFRMKHOXQZEJ-UHFFFAOYSA-N -1 1 354.288 3.248 20 30 FGEDMM CCSc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000755639046 722955310 /nfs/dbraw/zinc/95/53/10/722955310.db2.gz CTEDPVLLMHGZES-UHFFFAOYSA-N -1 1 359.476 3.261 20 30 FGEDMM Cc1ccnc(NN=Cc2cc(Br)ccc2OCC(=O)[O-])c1 ZINC000755900970 722958226 /nfs/dbraw/zinc/95/82/26/722958226.db2.gz SKEXSRDCTFPLMQ-UHFFFAOYSA-N -1 1 364.199 3.062 20 30 FGEDMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1OC ZINC000757870858 722980606 /nfs/dbraw/zinc/98/06/06/722980606.db2.gz PFECUZSFPZUVIN-OAHLLOKOSA-N -1 1 366.389 3.275 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(F)c(S(C)(=O)=O)c2)n1 ZINC000793165202 723405837 /nfs/dbraw/zinc/40/58/37/723405837.db2.gz USXISNDEUXKSKY-NSHDSACASA-N -1 1 366.439 3.299 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)cc1 ZINC000793392166 723433459 /nfs/dbraw/zinc/43/34/59/723433459.db2.gz GPUZNSJTIPIQGR-UHFFFAOYSA-N -1 1 358.444 3.418 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCC[C@@H]2CCOC2)cc1 ZINC000765573298 723524549 /nfs/dbraw/zinc/52/45/49/723524549.db2.gz ZXZMBPNJYBZNKQ-OAHLLOKOSA-N -1 1 359.451 3.312 20 30 FGEDMM C=CCNc1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765943183 723547904 /nfs/dbraw/zinc/54/79/04/723547904.db2.gz GTFYNKLSPVZWEW-UHFFFAOYSA-N -1 1 368.256 3.139 20 30 FGEDMM CC(=NNc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765992920 723550511 /nfs/dbraw/zinc/55/05/11/723550511.db2.gz QQEPEBNFDXOLDL-UHFFFAOYSA-N -1 1 374.249 3.183 20 30 FGEDMM COc1c([O-])c(C=NNc2ncnc(Cl)c2C(C)C)ccc1[N+](=O)[O-] ZINC000797404449 723812723 /nfs/dbraw/zinc/81/27/23/723812723.db2.gz KVGYFIZKJWVJBN-UHFFFAOYSA-N -1 1 365.777 3.322 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1O ZINC000799923582 724113703 /nfs/dbraw/zinc/11/37/03/724113703.db2.gz PTONEOHWXUYKHB-UHFFFAOYSA-N -1 1 356.325 3.392 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801833116 724338208 /nfs/dbraw/zinc/33/82/08/724338208.db2.gz ASWLFQCWSFEHJO-SSDOTTSWSA-N -1 1 356.201 3.492 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-c3ccc(C#N)s3)c2)o1 ZINC000805012160 725043803 /nfs/dbraw/zinc/04/38/03/725043803.db2.gz FPCQZEGPRMYCSZ-UHFFFAOYSA-N -1 1 369.427 3.230 20 30 FGEDMM N#CCSCCCOC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000805555645 725080115 /nfs/dbraw/zinc/08/01/15/725080115.db2.gz RGXHSJFEIKIEJE-UHFFFAOYSA-N -1 1 351.815 3.035 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)o1 ZINC000811684657 725376750 /nfs/dbraw/zinc/37/67/50/725376750.db2.gz AGOXVVGZVLTIAB-XQJDBVBESA-N -1 1 370.144 3.130 20 30 FGEDMM Cc1cnc(Br)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000811826151 725381916 /nfs/dbraw/zinc/38/19/16/725381916.db2.gz MBBRZDIYDHOXRP-UHFFFAOYSA-N -1 1 366.240 3.019 20 30 FGEDMM CCc1cc2c(COC(=O)c3cscc3C#N)cc(=O)oc2cc1[O-] ZINC000814612552 726986948 /nfs/dbraw/zinc/98/69/48/726986948.db2.gz VJMAVZJQZOHOQC-UHFFFAOYSA-N -1 1 355.371 3.351 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000815767393 727096212 /nfs/dbraw/zinc/09/62/12/727096212.db2.gz MQIZKAJNPKZIPW-GFCCVEGCSA-N -1 1 357.706 3.418 20 30 FGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCCSC)s1 ZINC000819519404 727380634 /nfs/dbraw/zinc/38/06/34/727380634.db2.gz JKGIQDWFJKVTHS-UHFFFAOYSA-N -1 1 352.934 3.249 20 30 FGEDMM C=C[C@@H](CC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000830817255 729595241 /nfs/dbraw/zinc/59/52/41/729595241.db2.gz ZKCSCVZBJHUGMK-GUYCJALGSA-N -1 1 354.372 3.016 20 30 FGEDMM C=CCNC(=O)c1ccccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000843463337 730623111 /nfs/dbraw/zinc/62/31/11/730623111.db2.gz FGZHNAZTBFCIKG-UHFFFAOYSA-N -1 1 360.797 3.222 20 30 FGEDMM Cc1cnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)[n-]c1=O ZINC000849901594 731295431 /nfs/dbraw/zinc/29/54/31/731295431.db2.gz ZWYFLMNUJWODRO-CXUHLZMHSA-N -1 1 355.463 3.463 20 30 FGEDMM N#Cc1cnc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c2sccc21 ZINC000865818936 733275129 /nfs/dbraw/zinc/27/51/29/733275129.db2.gz ZATVHKVQALUJHD-JTQLQIEISA-N -1 1 368.384 3.063 20 30 FGEDMM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cccc([O-])c1Br ZINC000877849809 736735612 /nfs/dbraw/zinc/73/56/12/736735612.db2.gz MJRIWEVUPFIWTO-INIZCTEOSA-N -1 1 357.207 3.354 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1nccn1C1CC1 ZINC000901156001 743230089 /nfs/dbraw/zinc/23/00/89/743230089.db2.gz TTXZRYSHVKCBBM-UHFFFAOYSA-N -1 1 356.480 3.273 20 30 FGEDMM C=CCOc1c(Cl)cc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1OC ZINC000901891030 743668889 /nfs/dbraw/zinc/66/88/89/743668889.db2.gz QAQMCAJXOBTWKV-ZDUSSCGKSA-N -1 1 371.886 3.163 20 30 FGEDMM CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000056484265 221080862 /nfs/dbraw/zinc/08/08/62/221080862.db2.gz SJXGKXYULBOSEU-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM CCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000068241737 493783412 /nfs/dbraw/zinc/78/34/12/493783412.db2.gz XQHJZPSHPDBZPQ-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc(-c2ccccc2)cs1 ZINC000051533386 493974529 /nfs/dbraw/zinc/97/45/29/493974529.db2.gz WIBTYYSRLFMISP-MRXNPFEDSA-N -1 1 372.413 3.276 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1Br ZINC000007056112 493997796 /nfs/dbraw/zinc/99/77/96/493997796.db2.gz HBRGBHJHQGUDEQ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000055548307 494358974 /nfs/dbraw/zinc/35/89/74/494358974.db2.gz OWBJHCULRHBNHW-UHFFFAOYSA-N -1 1 362.476 3.125 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC000055576442 494364160 /nfs/dbraw/zinc/36/41/60/494364160.db2.gz RORCOFKYNGBLJH-UHFFFAOYSA-N -1 1 362.476 3.125 20 30 FGEDMM C[C@H](C#N)CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000115900310 494660789 /nfs/dbraw/zinc/66/07/89/494660789.db2.gz XSUDNDJGNGINIL-LLVKDONJSA-N -1 1 373.359 3.154 20 30 FGEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCCCC1 ZINC000132259774 494847806 /nfs/dbraw/zinc/84/78/06/494847806.db2.gz JPEYTMWNSFFNSH-UHFFFAOYSA-N -1 1 361.236 3.093 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000116861427 494863380 /nfs/dbraw/zinc/86/33/80/494863380.db2.gz SIWVSSDPMPBMGQ-OAHLLOKOSA-N -1 1 358.463 3.490 20 30 FGEDMM C=CC[C@H](C)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000117043615 494886457 /nfs/dbraw/zinc/88/64/57/494886457.db2.gz DGGHXJDJYWOERR-HNNXBMFYSA-N -1 1 373.478 3.251 20 30 FGEDMM CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000127480084 494950771 /nfs/dbraw/zinc/95/07/71/494950771.db2.gz IOIJYBNBMZEZBS-LJQANCHMSA-N -1 1 371.462 3.218 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OCC(F)F ZINC000102632256 495147903 /nfs/dbraw/zinc/14/79/03/495147903.db2.gz DFDJYPXWHCPLLM-UHFFFAOYSA-N -1 1 352.362 3.311 20 30 FGEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159332454 495711528 /nfs/dbraw/zinc/71/15/28/495711528.db2.gz VJHWSTCWZKICIC-OAHLLOKOSA-N -1 1 374.462 3.407 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000160072486 495878422 /nfs/dbraw/zinc/87/84/22/495878422.db2.gz XIMPTLPPDLSUFJ-UHFFFAOYSA-N -1 1 357.435 3.384 20 30 FGEDMM C=C[C@@H](CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000152062256 496036549 /nfs/dbraw/zinc/03/65/49/496036549.db2.gz ZKEUQWOXPBZMMT-AWEZNQCLSA-N -1 1 374.462 3.365 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(F)c1 ZINC000152501563 496169816 /nfs/dbraw/zinc/16/98/16/496169816.db2.gz RMRBIBNGDROEEW-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM C=CCC(CC=C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000156547738 496274989 /nfs/dbraw/zinc/27/49/89/496274989.db2.gz XPQVJSPWZHIJNA-UHFFFAOYSA-N -1 1 366.483 3.130 20 30 FGEDMM N#Cc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cc1[O-] ZINC000187710270 496541644 /nfs/dbraw/zinc/54/16/44/496541644.db2.gz YRWJOSFIIKFGRU-GOSISDBHSA-N -1 1 354.381 3.224 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181980280 496622282 /nfs/dbraw/zinc/62/22/82/496622282.db2.gz ONQDCVAFLCTEIE-NSHDSACASA-N -1 1 367.434 3.320 20 30 FGEDMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1OC ZINC000192801122 497217917 /nfs/dbraw/zinc/21/79/17/497217917.db2.gz FEUGIBFDFZMCGD-UHFFFAOYSA-N -1 1 370.789 3.169 20 30 FGEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000189900222 497287046 /nfs/dbraw/zinc/28/70/46/497287046.db2.gz FOGHHAGZJVWGHM-LJQANCHMSA-N -1 1 352.390 3.162 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000193357046 497360381 /nfs/dbraw/zinc/36/03/81/497360381.db2.gz ALIMWRDERXXPTG-UHFFFAOYSA-N -1 1 356.325 3.452 20 30 FGEDMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000279819791 497552703 /nfs/dbraw/zinc/55/27/03/497552703.db2.gz AWFAJWDEJMVJAC-UHFFFAOYSA-N -1 1 371.462 3.456 20 30 FGEDMM N#Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)cc1[O-] ZINC000190731577 497588164 /nfs/dbraw/zinc/58/81/64/497588164.db2.gz DCGDPRZAQUBXQD-UHFFFAOYSA-N -1 1 350.296 3.091 20 30 FGEDMM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000581149347 505920975 /nfs/dbraw/zinc/92/09/75/505920975.db2.gz DJVOGBCUSWEDAK-UHFFFAOYSA-N -1 1 365.270 3.464 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCC#N)cc2)c1C ZINC000273155781 497804710 /nfs/dbraw/zinc/80/47/10/497804710.db2.gz SDNJIRJBQXINQR-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM Cc1ccsc1-c1nc(=NC(=O)N[C@H]2CCCc3cn[nH]c32)s[n-]1 ZINC000329974645 497976294 /nfs/dbraw/zinc/97/62/94/497976294.db2.gz XOJVCIUAAFTGGE-JTQLQIEISA-N -1 1 360.468 3.124 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC000332525699 498712559 /nfs/dbraw/zinc/71/25/59/498712559.db2.gz DZSFAQDBIBLOLW-UHFFFAOYSA-N -1 1 356.451 3.053 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n[nH]c1-c1ccncc1 ZINC000363998650 499080072 /nfs/dbraw/zinc/08/00/72/499080072.db2.gz ILZPJJKYWABSAT-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM N#Cc1cc(F)c(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)c(F)c1 ZINC000370399153 499216631 /nfs/dbraw/zinc/21/66/31/499216631.db2.gz ZVODXAGWUQEGRF-UHFFFAOYSA-N -1 1 361.258 3.152 20 30 FGEDMM C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(C#N)c21 ZINC000411025254 499690880 /nfs/dbraw/zinc/69/08/80/499690880.db2.gz ZZOGXYMXVAJEMS-DTWKUNHWSA-N -1 1 359.411 3.200 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCCCC2)o1 ZINC000416627754 500075011 /nfs/dbraw/zinc/07/50/11/500075011.db2.gz RAGBYLWNENRUBV-SFHVURJKSA-N -1 1 374.462 3.114 20 30 FGEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2C)o1 ZINC000427282544 500377366 /nfs/dbraw/zinc/37/73/66/500377366.db2.gz UMIOHPPINJILNU-UHFFFAOYSA-N -1 1 360.370 3.098 20 30 FGEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427348326 500384064 /nfs/dbraw/zinc/38/40/64/500384064.db2.gz VRXVYPCGKVUEJA-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n[nH]c1-c1ccccc1 ZINC000427745410 500426700 /nfs/dbraw/zinc/42/67/00/500426700.db2.gz NREOTUMPIZWQQD-UHFFFAOYSA-N -1 1 356.382 3.197 20 30 FGEDMM C=CCCCS(=O)(=O)[N-]c1cc(F)ccc1Sc1nccn1C ZINC000427751375 500427323 /nfs/dbraw/zinc/42/73/23/500427323.db2.gz CMRVJPNJWDNPHK-UHFFFAOYSA-N -1 1 355.460 3.418 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442233390 500574018 /nfs/dbraw/zinc/57/40/18/500574018.db2.gz ZYZHBZFYKMWRQC-UHFFFAOYSA-N -1 1 358.753 3.299 20 30 FGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436989592 500587902 /nfs/dbraw/zinc/58/79/02/500587902.db2.gz MTSINRBAPKAXCA-UHFFFAOYSA-N -1 1 356.381 3.430 20 30 FGEDMM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(SC)cc1 ZINC000442971713 500656386 /nfs/dbraw/zinc/65/63/86/500656386.db2.gz YDYKSOCMUXEXTP-MRXNPFEDSA-N -1 1 370.430 3.020 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c(OC)c1 ZINC000443415950 500721403 /nfs/dbraw/zinc/72/14/03/500721403.db2.gz HMCXYNWZVBENEE-UHFFFAOYSA-N -1 1 366.826 3.338 20 30 FGEDMM Cc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000448704768 500809109 /nfs/dbraw/zinc/80/91/09/500809109.db2.gz OOXMVBUUGVYGFG-IFXJQAMLSA-N -1 1 369.446 3.284 20 30 FGEDMM N#CCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444206862 500817867 /nfs/dbraw/zinc/81/78/67/500817867.db2.gz SLMWRZJHNBGYFE-UHFFFAOYSA-N -1 1 372.071 3.338 20 30 FGEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc(-c2ccncc2)cs1 ZINC000434627036 500869009 /nfs/dbraw/zinc/86/90/09/500869009.db2.gz LZVHMGPBCSEZBB-NSHDSACASA-N -1 1 359.361 3.157 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(C)c1C ZINC000435716384 501016360 /nfs/dbraw/zinc/01/63/60/501016360.db2.gz FRVCTKQTIGBYPK-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM COc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1C#N ZINC000436569539 501159699 /nfs/dbraw/zinc/15/96/99/501159699.db2.gz FTCMPQYHYAZLHR-UHFFFAOYSA-N -1 1 350.296 3.221 20 30 FGEDMM COc1cc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)cc(Br)c1[O-] ZINC000453178125 501285919 /nfs/dbraw/zinc/28/59/19/501285919.db2.gz ODDRONOVCHXLAJ-JKYUHCHBSA-N -1 1 350.172 3.014 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)CNc2ccc(C#N)cc2)c1 ZINC000482557373 502110233 /nfs/dbraw/zinc/11/02/33/502110233.db2.gz SJZJCKZEYBKHKX-UHFFFAOYSA-N -1 1 360.211 3.385 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000462098423 502306830 /nfs/dbraw/zinc/30/68/30/502306830.db2.gz BPJXKEPVOIWYCY-UHFFFAOYSA-N -1 1 357.435 3.211 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000476077508 502378157 /nfs/dbraw/zinc/37/81/57/502378157.db2.gz HEVJXQLYRAKHIO-UHFFFAOYSA-N -1 1 360.345 3.027 20 30 FGEDMM CC(C)C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000476335827 502460857 /nfs/dbraw/zinc/46/08/57/502460857.db2.gz RLFPJVHGBLWXLH-HNNXBMFYSA-N -1 1 372.531 3.136 20 30 FGEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n[nH]1 ZINC000484645171 502694314 /nfs/dbraw/zinc/69/43/14/502694314.db2.gz VVMYBTQUFOHPMJ-UHFFFAOYSA-N -1 1 367.434 3.069 20 30 FGEDMM CN(CC(C)(C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000497371071 502941621 /nfs/dbraw/zinc/94/16/21/502941621.db2.gz PKCQATINUUDPLI-UHFFFAOYSA-N -1 1 371.462 3.109 20 30 FGEDMM C=CCCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509930930 503013869 /nfs/dbraw/zinc/01/38/69/503013869.db2.gz QXENYNNNNZSMBX-UHFFFAOYSA-N -1 1 366.266 3.415 20 30 FGEDMM N#CC(=C([O-])c1ccc(Br)c2c1OCCC2)c1ccncn1 ZINC000517271681 503702150 /nfs/dbraw/zinc/70/21/50/503702150.db2.gz MKOMHAPYPTURLY-GFCCVEGCSA-N -1 1 358.195 3.054 20 30 FGEDMM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000537018589 503778640 /nfs/dbraw/zinc/77/86/40/503778640.db2.gz IWOBYGNFLLLVEN-MRVPVSSYSA-N -1 1 358.674 3.110 20 30 FGEDMM N#CC1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)CC1 ZINC000556303057 504840806 /nfs/dbraw/zinc/84/08/06/504840806.db2.gz AJEGQZSKMUMCTA-UHFFFAOYSA-N -1 1 370.055 3.090 20 30 FGEDMM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000562595829 504872546 /nfs/dbraw/zinc/87/25/46/504872546.db2.gz UAVBBQQMKUMUEX-UHFFFAOYSA-N -1 1 365.320 3.391 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(COc3ccccc3)c2)o1 ZINC000553439280 504915008 /nfs/dbraw/zinc/91/50/08/504915008.db2.gz VPWZRMJGQYCKJL-UHFFFAOYSA-N -1 1 368.414 3.209 20 30 FGEDMM Cc1cccc(O[C@@H]2CCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000557841120 505244027 /nfs/dbraw/zinc/24/40/27/505244027.db2.gz IYQJXYBPDMTTTE-DLBZAZTESA-N -1 1 360.435 3.128 20 30 FGEDMM COC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCC(c2ccccc2)CC1 ZINC000561550853 505375318 /nfs/dbraw/zinc/37/53/18/505375318.db2.gz GNYLUYDRTCAXSP-UHFFFAOYSA-N -1 1 374.462 3.173 20 30 FGEDMM CC(C)c1ccc(CN2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000589158416 506463138 /nfs/dbraw/zinc/46/31/38/506463138.db2.gz OENDGQNKMOHPBL-UHFFFAOYSA-N -1 1 363.461 3.345 20 30 FGEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)ccc12 ZINC000593216096 506472559 /nfs/dbraw/zinc/47/25/59/506472559.db2.gz UMLBJAYPXOQMKX-UHFFFAOYSA-N -1 1 368.462 3.484 20 30 FGEDMM COc1ccc([C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C(F)(F)F)cc1 ZINC000589199304 506481231 /nfs/dbraw/zinc/48/12/31/506481231.db2.gz AUJFWUSYWTWGGJ-OAHLLOKOSA-N -1 1 350.296 3.306 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCCC1 ZINC000593624388 506707559 /nfs/dbraw/zinc/70/75/59/506707559.db2.gz UDFNCKMCKLNEKZ-UHFFFAOYSA-N -1 1 351.230 3.495 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000608909150 506742506 /nfs/dbraw/zinc/74/25/06/506742506.db2.gz WLSSWXSMFYVLES-UHFFFAOYSA-N -1 1 371.443 3.395 20 30 FGEDMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000590598091 506873793 /nfs/dbraw/zinc/87/37/93/506873793.db2.gz BUCSCXYLARHMLH-GOEBONIOSA-N -1 1 354.497 3.392 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1 ZINC000600662261 507052094 /nfs/dbraw/zinc/05/20/94/507052094.db2.gz IKXVFRDJBSCDLQ-UHFFFAOYSA-N -1 1 356.447 3.447 20 30 FGEDMM C=C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000591091439 507110064 /nfs/dbraw/zinc/11/00/64/507110064.db2.gz AKEGDMFDDBCAKS-UHFFFAOYSA-N -1 1 374.437 3.419 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)c1 ZINC000614296527 507443642 /nfs/dbraw/zinc/44/36/42/507443642.db2.gz FKVGMASGGZJCGJ-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM CN(Cc1ccc(Br)s1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293031 507444307 /nfs/dbraw/zinc/44/43/07/507444307.db2.gz PAZCCVAJFVTNJN-UHFFFAOYSA-N -1 1 351.225 3.360 20 30 FGEDMM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000614294161 507444376 /nfs/dbraw/zinc/44/43/76/507444376.db2.gz VDDKVWAWLPSLRL-SFHVURJKSA-N -1 1 352.390 3.258 20 30 FGEDMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361708 507477937 /nfs/dbraw/zinc/47/79/37/507477937.db2.gz OKLFPIJOWIELOZ-UHFFFAOYSA-N -1 1 351.406 3.063 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000614373989 507484198 /nfs/dbraw/zinc/48/41/98/507484198.db2.gz NOFLIZZURJJCLI-UHFFFAOYSA-N -1 1 365.216 3.205 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000601975756 507536564 /nfs/dbraw/zinc/53/65/64/507536564.db2.gz JIADPNFEHCSGFZ-CQSZACIVSA-N -1 1 368.524 3.497 20 30 FGEDMM C#CC[N@H+](CCCC(=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000736079294 600231444 /nfs/dbraw/zinc/23/14/44/600231444.db2.gz KJTHTXOOUAFCMN-AWEZNQCLSA-N -1 1 352.228 3.073 20 30 FGEDMM N#CCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737688512 598412211 /nfs/dbraw/zinc/41/22/11/598412211.db2.gz VCUGDZYLAXABRW-UHFFFAOYSA-N -1 1 367.340 3.259 20 30 FGEDMM N#CCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737688512 598412212 /nfs/dbraw/zinc/41/22/12/598412212.db2.gz VCUGDZYLAXABRW-UHFFFAOYSA-N -1 1 367.340 3.259 20 30 FGEDMM C#CCOc1ccccc1CNCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000736087171 600524568 /nfs/dbraw/zinc/52/45/68/600524568.db2.gz CVLMARSUFPAFKV-UHFFFAOYSA-N -1 1 353.418 3.069 20 30 FGEDMM CCOc1cc2c(cc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1)O[C@@H](C)C2 ZINC000830053936 601298177 /nfs/dbraw/zinc/29/81/77/601298177.db2.gz FLXPAMIPTAMSLA-RNODOKPDSA-N -1 1 366.417 3.196 20 30 FGEDMM CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828757922 601300810 /nfs/dbraw/zinc/30/08/10/601300810.db2.gz FAWMPJYWNXBSPO-KUHUBIRLSA-N -1 1 365.433 3.002 20 30 FGEDMM CCC1CCC(NCC(=O)Nc2sc(C)c(C)c2C#N)(C(=O)[O-])CC1 ZINC000829107571 601497165 /nfs/dbraw/zinc/49/71/65/601497165.db2.gz OHNYHODOAIBWQK-UHFFFAOYSA-N -1 1 363.483 3.188 20 30 FGEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CCC(=O)[O-])CC1 ZINC000826014716 601845124 /nfs/dbraw/zinc/84/51/24/601845124.db2.gz UTHLHJCKISQTCJ-LBPRGKRZSA-N -1 1 363.845 3.115 20 30 FGEDMM CN(Cc1ccc(F)c(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825343 601906305 /nfs/dbraw/zinc/90/63/05/601906305.db2.gz RHIAHZRAACWUPI-INIZCTEOSA-N -1 1 352.287 3.372 20 30 FGEDMM C=C(Br)CN[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000833367845 604949740 /nfs/dbraw/zinc/94/97/40/604949740.db2.gz WURSBYOINZNTHF-GFCCVEGCSA-N -1 1 363.049 3.247 20 30 FGEDMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821160771 606505472 /nfs/dbraw/zinc/50/54/72/606505472.db2.gz PYGAKLXSSCCDGM-NSHDSACASA-N -1 1 352.423 3.023 20 30 FGEDMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821160771 606505473 /nfs/dbraw/zinc/50/54/73/606505473.db2.gz PYGAKLXSSCCDGM-NSHDSACASA-N -1 1 352.423 3.023 20 30 FGEDMM CCc1c(C)sc([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1C#N ZINC000821466348 606676883 /nfs/dbraw/zinc/67/68/83/606676883.db2.gz VZJXJZAGRWEOLK-UHFFFAOYSA-N -1 1 374.376 3.201 20 30 FGEDMM CC(Cc1cccc(F)c1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820299822 607035822 /nfs/dbraw/zinc/03/58/22/607035822.db2.gz LBBOBNXQHRTRPH-UHFFFAOYSA-N -1 1 357.393 3.322 20 30 FGEDMM C=C[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823883725 608005228 /nfs/dbraw/zinc/00/52/28/608005228.db2.gz ZAZYAJACWMLJGB-ZDUSSCGKSA-N -1 1 365.441 3.117 20 30 FGEDMM C=C[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823883725 608005229 /nfs/dbraw/zinc/00/52/29/608005229.db2.gz ZAZYAJACWMLJGB-ZDUSSCGKSA-N -1 1 365.441 3.117 20 30 FGEDMM CC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953848 608091817 /nfs/dbraw/zinc/09/18/17/608091817.db2.gz SFEFVZFSKKZTIX-UHFFFAOYSA-N -1 1 371.495 3.256 20 30 FGEDMM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825642829 608093531 /nfs/dbraw/zinc/09/35/31/608093531.db2.gz CFTCKLCEVOABRZ-HWKANZROSA-N -1 1 371.378 3.131 20 30 FGEDMM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825642829 608093532 /nfs/dbraw/zinc/09/35/32/608093532.db2.gz CFTCKLCEVOABRZ-HWKANZROSA-N -1 1 371.378 3.131 20 30 FGEDMM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823958281 608094590 /nfs/dbraw/zinc/09/45/90/608094590.db2.gz HGJYJERFYDTPCB-UHFFFAOYSA-N -1 1 363.790 3.326 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2Cl)c(=O)o1 ZINC000129887731 700793125 /nfs/dbraw/zinc/79/31/25/700793125.db2.gz CXNJJQDXQNSGQK-JBQRSBCVSA-N -1 1 369.598 3.331 20 30 FGEDMM N#Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[O-] ZINC000615479503 714530655 /nfs/dbraw/zinc/53/06/55/714530655.db2.gz ASHZGODFPUMTMS-NXEZZACHSA-N -1 1 352.234 3.077 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000619732782 714865038 /nfs/dbraw/zinc/86/50/38/714865038.db2.gz ZRGLRFPRYNBIBC-LJQANCHMSA-N -1 1 356.809 3.049 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(SC(F)F)cc2)c2ccccc21 ZINC000781588853 724576814 /nfs/dbraw/zinc/57/68/14/724576814.db2.gz AJLBVZSHTWXSNO-UHFFFAOYSA-N -1 1 367.402 3.074 20 30 FGEDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2C1 ZINC000783858506 724796900 /nfs/dbraw/zinc/79/69/00/724796900.db2.gz AMIDXLDJCNZJGE-HNNXBMFYSA-N -1 1 362.838 3.126 20 30 FGEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1 ZINC000743253416 722565157 /nfs/dbraw/zinc/56/51/57/722565157.db2.gz NWTNDPSANPRNEA-UHFFFAOYSA-N -1 1 358.419 3.228 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC[C@H]1c1ccccc1 ZINC000748248118 722681501 /nfs/dbraw/zinc/68/15/01/722681501.db2.gz GZCUCAUDXBUXKH-AWEZNQCLSA-N -1 1 359.407 3.197 20 30 FGEDMM COc1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1O ZINC000757472507 722976577 /nfs/dbraw/zinc/97/65/77/722976577.db2.gz JPUPNVSJHCWBGB-IHWYPQMZSA-N -1 1 351.261 3.189 20 30 FGEDMM O=[N+]([O-])c1cc(Br)cc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000790573107 723154848 /nfs/dbraw/zinc/15/48/48/723154848.db2.gz CYKMWAISXWVASS-UHFFFAOYSA-N -1 1 353.128 3.225 20 30 FGEDMM COc1cc(F)ccc1NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000761891279 723193124 /nfs/dbraw/zinc/19/31/24/723193124.db2.gz YBDUGLZRIAJATM-UHFFFAOYSA-N -1 1 355.163 3.454 20 30 FGEDMM O=c1cn[n-]c(=S)n1N=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000766476950 723576015 /nfs/dbraw/zinc/57/60/15/723576015.db2.gz FSVUHINGCWTYML-UHFFFAOYSA-N -1 1 372.837 3.042 20 30 FGEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000770391856 723712870 /nfs/dbraw/zinc/71/28/70/723712870.db2.gz ZLZDYRCANRSFDU-ZETCQYMHSA-N -1 1 356.694 3.244 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000778446756 724331999 /nfs/dbraw/zinc/33/19/99/724331999.db2.gz HHBLBUXNSYTEEG-UHFFFAOYSA-N -1 1 374.190 3.182 20 30 FGEDMM N#Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000810251602 725299824 /nfs/dbraw/zinc/29/98/24/725299824.db2.gz YWJVNXKWFOOVQS-UHFFFAOYSA-N -1 1 364.174 3.487 20 30 FGEDMM COC(=O)c1ccc([C@H]([N-]C(=O)[C@@H](F)C(F)(F)F)C(F)(F)F)cc1 ZINC000811163103 725348378 /nfs/dbraw/zinc/34/83/78/725348378.db2.gz RRKIISKXVZXMFG-BDAKNGLRSA-N -1 1 361.213 3.093 20 30 FGEDMM COCc1nc(Cl)cc(NN=Cc2cccc(C(=O)[O-])c2Cl)n1 ZINC000814979064 727016697 /nfs/dbraw/zinc/01/66/97/727016697.db2.gz HSPHKGUIQARTSJ-UHFFFAOYSA-N -1 1 355.181 3.074 20 30 FGEDMM C=C[C@@H](CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000830817256 729595146 /nfs/dbraw/zinc/59/51/46/729595146.db2.gz ZKCSCVZBJHUGMK-SUMWQHHRSA-N -1 1 354.372 3.016 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=CC1CCSCC1 ZINC000853281301 731690947 /nfs/dbraw/zinc/69/09/47/731690947.db2.gz YEIQNMQOTSBKEP-UHFFFAOYSA-N -1 1 366.468 3.000 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857620098 732144557 /nfs/dbraw/zinc/14/45/57/732144557.db2.gz COMDBBMBHCTYNH-GFCCVEGCSA-N -1 1 363.227 3.302 20 30 FGEDMM C=C(C)C[C@@H](NCc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000864530414 733073838 /nfs/dbraw/zinc/07/38/38/733073838.db2.gz XUXCGKVCYITQPX-MRXNPFEDSA-N -1 1 362.451 3.240 20 30 FGEDMM C[C@H]1CC(NN=Cc2csc(=NC(=O)OC(C)(C)C)[n-]2)C[C@H](C)O1 ZINC000901301952 743250037 /nfs/dbraw/zinc/25/00/37/743250037.db2.gz YOVXNMJEVMPWOB-QWRGUYRKSA-N -1 1 354.476 3.370 20 30 FGEDMM C=CCN(CC(=O)[O-])Cc1cn(-c2ccccc2Br)nc1C ZINC000901585821 743592955 /nfs/dbraw/zinc/59/29/55/743592955.db2.gz JALNPZXVPLAKCT-UHFFFAOYSA-N -1 1 364.243 3.016 20 30 FGEDMM CC(C)(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000904180056 743936268 /nfs/dbraw/zinc/93/62/68/743936268.db2.gz PLJRUXCJPVCQCA-ZDUSSCGKSA-N -1 1 360.202 3.380 20 30 FGEDMM C[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1noc(C(F)(F)F)n1 ZINC000910765072 757039273 /nfs/dbraw/zinc/03/92/73/757039273.db2.gz ZRHPYERFBHYQQR-GSVOUGTGSA-N -1 1 357.185 3.136 20 30 FGEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000918501814 758333046 /nfs/dbraw/zinc/33/30/46/758333046.db2.gz MRFUQJSIFGXALW-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM C=CC[C@@H]1CCN1C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000931664450 760924215 /nfs/dbraw/zinc/92/42/15/760924215.db2.gz RMPVLHIPDSYWFZ-CQSZACIVSA-N -1 1 355.360 3.356 20 30 FGEDMM Cc1ncoc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000081582223 493922588 /nfs/dbraw/zinc/92/25/88/493922588.db2.gz OIZIHXJQBYHRJY-UHFFFAOYSA-N -1 1 357.420 3.251 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CCC#N)cc2)c1C ZINC000060617511 493948593 /nfs/dbraw/zinc/94/85/93/493948593.db2.gz GXBSRJDUXBGBKO-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000076937468 493992615 /nfs/dbraw/zinc/99/26/15/493992615.db2.gz IUVDWYDDCJWSNC-KBPBESRZSA-N -1 1 354.497 3.392 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1Cl ZINC000033900454 494064160 /nfs/dbraw/zinc/06/41/60/494064160.db2.gz HIYZTAKYURCODX-UHFFFAOYSA-N -1 1 363.826 3.165 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC ZINC000055555448 494360408 /nfs/dbraw/zinc/36/04/08/494360408.db2.gz OILVNLRSJZVLGC-UHFFFAOYSA-N -1 1 352.799 3.030 20 30 FGEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2F)n1 ZINC000055649486 494381341 /nfs/dbraw/zinc/38/13/41/494381341.db2.gz IVBCUCHYXAABDK-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM COC(=O)COc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080453041 494708866 /nfs/dbraw/zinc/70/88/66/494708866.db2.gz ORZTZYLIPCBCJL-CQSZACIVSA-N -1 1 358.419 3.308 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000116858434 494863002 /nfs/dbraw/zinc/86/30/02/494863002.db2.gz TZMINLFIQCSKFE-CQSZACIVSA-N -1 1 374.462 3.190 20 30 FGEDMM CCc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000121973446 494901296 /nfs/dbraw/zinc/90/12/96/494901296.db2.gz LDHIXSDUHDCENH-AWEZNQCLSA-N -1 1 366.446 3.410 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000122630807 495006812 /nfs/dbraw/zinc/00/68/12/495006812.db2.gz NLNMIDVGIRRECE-UHFFFAOYSA-N -1 1 372.446 3.282 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)cc1 ZINC000128918832 495168461 /nfs/dbraw/zinc/16/84/61/495168461.db2.gz AFKUDTQUOZJDFN-UHFFFAOYSA-N -1 1 364.386 3.495 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000114673408 495406874 /nfs/dbraw/zinc/40/68/74/495406874.db2.gz KYCLDGOGMXNNAE-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000125343992 495429674 /nfs/dbraw/zinc/42/96/74/495429674.db2.gz DCXMYMGARSTUBE-GFCCVEGCSA-N -1 1 357.435 3.114 20 30 FGEDMM C=CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000154205090 495544247 /nfs/dbraw/zinc/54/42/47/495544247.db2.gz RPGQDYPKZWWSID-UHFFFAOYSA-N -1 1 366.389 3.024 20 30 FGEDMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000171345801 495830842 /nfs/dbraw/zinc/83/08/42/495830842.db2.gz KRGPPQAOMBBUNW-UHFFFAOYSA-N -1 1 355.463 3.475 20 30 FGEDMM C#CCC(C)(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000186145489 495872928 /nfs/dbraw/zinc/87/29/28/495872928.db2.gz XFODQPRZKQCFCD-UHFFFAOYSA-N -1 1 370.474 3.153 20 30 FGEDMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2)o1 ZINC000174767054 496098172 /nfs/dbraw/zinc/09/81/72/496098172.db2.gz ZFRSKWFRLIQBMM-UHFFFAOYSA-N -1 1 368.418 3.280 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1 ZINC000172123618 496175154 /nfs/dbraw/zinc/17/51/54/496175154.db2.gz XAQWZPIHLJWOTF-GOSISDBHSA-N -1 1 372.446 3.225 20 30 FGEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2F)c1 ZINC000172592217 496356364 /nfs/dbraw/zinc/35/63/64/496356364.db2.gz QWPTXVZSZYUZCS-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM Cc1ccc(NC(=O)CC#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000153475443 496467684 /nfs/dbraw/zinc/46/76/84/496467684.db2.gz GOTBJDCROWCREJ-UHFFFAOYSA-N -1 1 363.826 3.301 20 30 FGEDMM N#Cc1ccc(C(=O)NCCCc2nc(-c3ccncc3)cs2)cc1[O-] ZINC000188070734 496670853 /nfs/dbraw/zinc/67/08/53/496670853.db2.gz NNJIMFMCGJJZMV-UHFFFAOYSA-N -1 1 364.430 3.145 20 30 FGEDMM CC#CCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000166260392 496680930 /nfs/dbraw/zinc/68/09/30/496680930.db2.gz JCBUDVAVWOZKTC-UHFFFAOYSA-N -1 1 371.083 3.448 20 30 FGEDMM N#Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc1[O-] ZINC000188413083 496781446 /nfs/dbraw/zinc/78/14/46/496781446.db2.gz ICLYSQOBTKKVMF-UHFFFAOYSA-N -1 1 371.234 3.488 20 30 FGEDMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)[C@H](C)CO2)c1 ZINC000188565608 496833862 /nfs/dbraw/zinc/83/38/62/496833862.db2.gz OHKCUOQAYJIMET-QRWLVFNGSA-N -1 1 350.418 3.483 20 30 FGEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000191890053 496922248 /nfs/dbraw/zinc/92/22/48/496922248.db2.gz RDGSJGXBMKXBLG-UHFFFAOYSA-N -1 1 350.827 3.201 20 30 FGEDMM Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc([O-])c(Cl)c3)CC2)o1 ZINC000193635269 497434191 /nfs/dbraw/zinc/43/41/91/497434191.db2.gz NTRLOKMJJBPLMS-UHFFFAOYSA-N -1 1 360.801 3.069 20 30 FGEDMM N#CCSc1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000276135962 497505315 /nfs/dbraw/zinc/50/53/15/497505315.db2.gz AOCFIRVNRXJDTK-UHFFFAOYSA-N -1 1 372.475 3.406 20 30 FGEDMM N#Cc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)cc1[O-] ZINC000190992818 497675625 /nfs/dbraw/zinc/67/56/25/497675625.db2.gz JIJYTPRMYMRQPX-UHFFFAOYSA-N -1 1 370.836 3.395 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1 ZINC000329737555 497884448 /nfs/dbraw/zinc/88/44/48/497884448.db2.gz MGTMRPGORIOGGP-AEGPPILISA-N -1 1 366.483 3.495 20 30 FGEDMM COc1cc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1C#N ZINC000302896684 498620946 /nfs/dbraw/zinc/62/09/46/498620946.db2.gz REYVAVNBLKNFIK-UHFFFAOYSA-N -1 1 359.345 3.194 20 30 FGEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)c2ccc(C)cc2)c(=O)[n-]1 ZINC000299369666 499039327 /nfs/dbraw/zinc/03/93/27/499039327.db2.gz SYRMNBLUWUZQOH-UHFFFAOYSA-N -1 1 370.478 3.400 20 30 FGEDMM Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1C(=O)[O-] ZINC000391171616 499556557 /nfs/dbraw/zinc/55/65/57/499556557.db2.gz GNOSGIVEXLNFOM-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccc(S(C)(=O)=O)o2)s1 ZINC000411007377 499689648 /nfs/dbraw/zinc/68/96/48/499689648.db2.gz MZVCNTWTVCOSEQ-UHFFFAOYSA-N -1 1 352.437 3.166 20 30 FGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(Cl)cc([N+](=O)[O-])c3)nc1-2 ZINC000429576345 500106230 /nfs/dbraw/zinc/10/62/30/500106230.db2.gz YEBYNXQPHJSYEC-GFCCVEGCSA-N -1 1 355.741 3.318 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000427108262 500354250 /nfs/dbraw/zinc/35/42/50/500354250.db2.gz NHWBELNKZRLEMO-UHFFFAOYSA-N -1 1 374.315 3.439 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1F ZINC000427755672 500428370 /nfs/dbraw/zinc/42/83/70/500428370.db2.gz GGNCVACNVVCKLV-UHFFFAOYSA-N -1 1 367.405 3.484 20 30 FGEDMM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000427777976 500431256 /nfs/dbraw/zinc/43/12/56/500431256.db2.gz LEPCCZQWGJTLLK-UHFFFAOYSA-N -1 1 367.833 3.213 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000442233416 500573859 /nfs/dbraw/zinc/57/38/59/500573859.db2.gz CKZMXBUCBFLBBN-UHFFFAOYSA-N -1 1 367.308 3.129 20 30 FGEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000437000499 500590716 /nfs/dbraw/zinc/59/07/16/500590716.db2.gz UKEVRKSRVIUXDS-KRWDZBQOSA-N -1 1 373.815 3.207 20 30 FGEDMM N#CCc1ccc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)cc1 ZINC000447480754 500611651 /nfs/dbraw/zinc/61/16/51/500611651.db2.gz UCYNJENAAMTNKU-UHFFFAOYSA-N -1 1 355.394 3.256 20 30 FGEDMM N#CCc1ccc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)cc1 ZINC000447480754 500611653 /nfs/dbraw/zinc/61/16/53/500611653.db2.gz UCYNJENAAMTNKU-UHFFFAOYSA-N -1 1 355.394 3.256 20 30 FGEDMM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000443056688 500670950 /nfs/dbraw/zinc/67/09/50/500670950.db2.gz ZEYJIWBZXJRMPD-LJQANCHMSA-N -1 1 360.417 3.249 20 30 FGEDMM CC1(C)[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1OCc1ccccc1 ZINC000443125839 500684396 /nfs/dbraw/zinc/68/43/96/500684396.db2.gz XCMPLAILJYIQBT-MOPGFXCFSA-N -1 1 350.418 3.378 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443404933 500719545 /nfs/dbraw/zinc/71/95/45/500719545.db2.gz VJMSXUUUGVSNMF-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435713507 501016226 /nfs/dbraw/zinc/01/62/26/501016226.db2.gz DWJKSLRCVKMKRC-UHFFFAOYSA-N -1 1 352.419 3.162 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)ccc1C#N ZINC000435719769 501016492 /nfs/dbraw/zinc/01/64/92/501016492.db2.gz QDJINYLYANVAQH-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Nc3cnn(C)c3)c2)ccc1C#N ZINC000435724331 501018050 /nfs/dbraw/zinc/01/80/50/501018050.db2.gz SMIPTYYNKATVNL-UHFFFAOYSA-N -1 1 367.434 3.145 20 30 FGEDMM C=CCC1(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCCC1 ZINC000456383443 501513862 /nfs/dbraw/zinc/51/38/62/501513862.db2.gz PBIPYJVEGHOCCV-UHFFFAOYSA-N -1 1 366.465 3.078 20 30 FGEDMM C=CCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)OCC ZINC000456633618 501562518 /nfs/dbraw/zinc/56/25/18/501562518.db2.gz VHMLAGXPMJVPOP-ZDUSSCGKSA-N -1 1 355.818 3.072 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C)cc1C ZINC000471566877 502067497 /nfs/dbraw/zinc/06/74/97/502067497.db2.gz NEDLEEYICMXLLW-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1Cl ZINC000486556964 502189355 /nfs/dbraw/zinc/18/93/55/502189355.db2.gz BIMOORSXGZOIGM-UHFFFAOYSA-N -1 1 350.762 3.028 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000475804203 502296840 /nfs/dbraw/zinc/29/68/40/502296840.db2.gz GYDKVSKGIABCQG-UHFFFAOYSA-N -1 1 356.432 3.072 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1C(F)(F)F ZINC000480176883 502491675 /nfs/dbraw/zinc/49/16/75/502491675.db2.gz HVYNFOYPFSZLJH-UHFFFAOYSA-N -1 1 368.336 3.313 20 30 FGEDMM C=CCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000469889564 502585638 /nfs/dbraw/zinc/58/56/38/502585638.db2.gz PQIYCYRTNRNJEM-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM CN(CC(C)(C)C#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000497274745 502929798 /nfs/dbraw/zinc/92/97/98/502929798.db2.gz GRAZXROSWDYJNZ-UHFFFAOYSA-N -1 1 362.227 3.325 20 30 FGEDMM CC[C@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505784374 502985579 /nfs/dbraw/zinc/98/55/79/502985579.db2.gz PMXIHRHOOYEBPW-GOSISDBHSA-N -1 1 357.435 3.366 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccc(Cl)cc3)CCC2)o1 ZINC000490070627 503103495 /nfs/dbraw/zinc/10/34/95/503103495.db2.gz FRGFSZJNIRKSJD-UHFFFAOYSA-N -1 1 350.827 3.248 20 30 FGEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000507643840 503338135 /nfs/dbraw/zinc/33/81/35/503338135.db2.gz JBOJYTOMDBDRMF-UHFFFAOYSA-N -1 1 352.774 3.354 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000507923746 503397120 /nfs/dbraw/zinc/39/71/20/503397120.db2.gz UYCLKEWFNHVCEO-UHFFFAOYSA-N -1 1 365.842 3.371 20 30 FGEDMM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2cnn(C)c2n1 ZINC000500051742 503541252 /nfs/dbraw/zinc/54/12/52/503541252.db2.gz YQSRHXIKRWCYIE-GFCCVEGCSA-N -1 1 359.311 3.181 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000543163749 503653477 /nfs/dbraw/zinc/65/34/77/503653477.db2.gz GHVBOBOILZNGPU-UHFFFAOYSA-N -1 1 357.366 3.294 20 30 FGEDMM N#Cc1ccc(SCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000518579858 504020364 /nfs/dbraw/zinc/02/03/64/504020364.db2.gz BRALUFFDHYDYEA-UHFFFAOYSA-N -1 1 350.403 3.385 20 30 FGEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000537934027 504088394 /nfs/dbraw/zinc/08/83/94/504088394.db2.gz VKYGPZIMPRZEAL-UHFFFAOYSA-N -1 1 374.437 3.417 20 30 FGEDMM CC1CC(C#N)(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)C1 ZINC000548049732 504310213 /nfs/dbraw/zinc/31/02/13/504310213.db2.gz DUNQXGCUDVLMNH-UHFFFAOYSA-N -1 1 355.438 3.333 20 30 FGEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000546056079 504691795 /nfs/dbraw/zinc/69/17/95/504691795.db2.gz WUYRRRYYITWRKL-QMMMGPOBSA-N -1 1 354.216 3.360 20 30 FGEDMM N#Cc1c(F)cc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1F ZINC000549743376 504886752 /nfs/dbraw/zinc/88/67/52/504886752.db2.gz JCNICRKUGLESOC-UHFFFAOYSA-N -1 1 356.250 3.491 20 30 FGEDMM Cc1nc(-c2ccc(CC[N-]S(=O)(=O)c3ccc(C#N)o3)cc2)cs1 ZINC000557802786 505234120 /nfs/dbraw/zinc/23/41/20/505234120.db2.gz YJADMYCMIFWSSY-UHFFFAOYSA-N -1 1 373.459 3.104 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1-c1ccccc1 ZINC000555633260 505480821 /nfs/dbraw/zinc/48/08/21/505480821.db2.gz VYMLIOKAOLJBMF-UHFFFAOYSA-N -1 1 356.382 3.197 20 30 FGEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000558898112 505524744 /nfs/dbraw/zinc/52/47/44/505524744.db2.gz JPVNTGDORGWKND-UHFFFAOYSA-N -1 1 355.341 3.108 20 30 FGEDMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593194286 506455681 /nfs/dbraw/zinc/45/56/81/506455681.db2.gz BYBLSRDNVFIKPA-UHFFFAOYSA-N -1 1 371.462 3.271 20 30 FGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000589163578 506464633 /nfs/dbraw/zinc/46/46/33/506464633.db2.gz SOKJOUJSICYONA-SNVBAGLBSA-N -1 1 356.332 3.500 20 30 FGEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1C ZINC000593209718 506467681 /nfs/dbraw/zinc/46/76/81/506467681.db2.gz SVVZNTVZUVKVKC-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000589170703 506469566 /nfs/dbraw/zinc/46/95/66/506469566.db2.gz XUTNOQZDSOSNGJ-UHFFFAOYSA-N -1 1 358.344 3.226 20 30 FGEDMM COc1cc(-c2noc(-c3cccc(C#N)n3)n2)cc(Br)c1[O-] ZINC000589368530 506530844 /nfs/dbraw/zinc/53/08/44/506530844.db2.gz WEELYXPRJSCBBD-UHFFFAOYSA-N -1 1 373.166 3.147 20 30 FGEDMM C=CC[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000600213345 506851001 /nfs/dbraw/zinc/85/10/01/506851001.db2.gz UQXKENDRYIWJKX-SNVBAGLBSA-N -1 1 357.191 3.035 20 30 FGEDMM CCO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000600648252 507049709 /nfs/dbraw/zinc/04/97/09/507049709.db2.gz NRACQGOZXHNSOR-CJNGLKHVSA-N -1 1 368.524 3.495 20 30 FGEDMM N#CCCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000594286547 507063624 /nfs/dbraw/zinc/06/36/24/507063624.db2.gz PYXWRXCIJKHGBX-UHFFFAOYSA-N -1 1 371.462 3.188 20 30 FGEDMM C[C@H]1CCCN(Cc2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)C1 ZINC000614293731 507444911 /nfs/dbraw/zinc/44/49/11/507444911.db2.gz XQKFGZRUWNAENN-LBPRGKRZSA-N -1 1 356.451 3.205 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000614302651 507448373 /nfs/dbraw/zinc/44/83/73/507448373.db2.gz XDTYONPQSAMIHH-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM C[C@H]1CN(Cc2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)C[C@H](C)O1 ZINC000614364051 507479278 /nfs/dbraw/zinc/47/92/78/507479278.db2.gz QZNCXMUOWBQGNQ-GJZGRUSLSA-N -1 1 365.433 3.125 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000614367051 507480491 /nfs/dbraw/zinc/48/04/91/507480491.db2.gz IDXWAXRCTHTWOO-UHFFFAOYSA-N -1 1 364.401 3.234 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000614373837 507484306 /nfs/dbraw/zinc/48/43/06/507484306.db2.gz IGIQAILXSZIYSV-QGZVFWFLSA-N -1 1 374.343 3.079 20 30 FGEDMM N#Cc1cccc(F)c1CC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000586801856 507676771 /nfs/dbraw/zinc/67/67/71/507676771.db2.gz VNPNAVYVTPINOT-UHFFFAOYSA-N -1 1 360.801 3.405 20 30 FGEDMM C=CCN(C(=O)c1ccc([O-])c(F)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000614877136 507683061 /nfs/dbraw/zinc/68/30/61/507683061.db2.gz RMJGJPJGJNWXFP-GOSISDBHSA-N -1 1 371.408 3.334 20 30 FGEDMM CC[C@@H](C#N)Oc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736309794 598871090 /nfs/dbraw/zinc/87/10/90/598871090.db2.gz RDCYNFOLLGEPBB-LBPRGKRZSA-N -1 1 369.816 3.208 20 30 FGEDMM CC[C@@H](C#N)Oc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736309794 598871092 /nfs/dbraw/zinc/87/10/92/598871092.db2.gz RDCYNFOLLGEPBB-LBPRGKRZSA-N -1 1 369.816 3.208 20 30 FGEDMM N#CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739088223 600144713 /nfs/dbraw/zinc/14/47/13/600144713.db2.gz PWGOZQRMPOYKDQ-UHFFFAOYSA-N -1 1 360.797 3.035 20 30 FGEDMM N#CCOc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739088223 600144716 /nfs/dbraw/zinc/14/47/16/600144716.db2.gz PWGOZQRMPOYKDQ-UHFFFAOYSA-N -1 1 360.797 3.035 20 30 FGEDMM Cc1cc(C=NNc2cnnc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000738379914 600247191 /nfs/dbraw/zinc/24/71/91/600247191.db2.gz VVYYOPMOIILFOC-UHFFFAOYSA-N -1 1 350.378 3.156 20 30 FGEDMM COc1cc(F)c([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832004478 601305560 /nfs/dbraw/zinc/30/55/60/601305560.db2.gz PFVVGQRKHUDBHV-VOJFVSQTSA-N -1 1 358.369 3.191 20 30 FGEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)S1 ZINC000822361447 606387362 /nfs/dbraw/zinc/38/73/62/606387362.db2.gz BGBYRVOVDPCCON-JYRVWZFOSA-N -1 1 368.447 3.128 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3c(C)cc(Cl)cc32)o1 ZINC000822424673 607171233 /nfs/dbraw/zinc/17/12/33/607171233.db2.gz YSABVUQYXOAQCB-UHFFFAOYSA-N -1 1 373.804 3.114 20 30 FGEDMM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nn[n-]n2)s1 ZINC000826403627 608093193 /nfs/dbraw/zinc/09/31/93/608093193.db2.gz XJOWMNQFNISTHH-NSCUHMNNSA-N -1 1 356.798 3.125 20 30 FGEDMM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962400 608094685 /nfs/dbraw/zinc/09/46/85/608094685.db2.gz JUUPVMXWOXUYBJ-UHFFFAOYSA-N -1 1 353.333 3.178 20 30 FGEDMM O=C1Nc2cccc(Br)c2C1=N[N-]c1nncc2ccccc21 ZINC000017648177 695634764 /nfs/dbraw/zinc/63/47/64/695634764.db2.gz GJGFKFQUBKPRDC-UHFFFAOYSA-N -1 1 368.194 3.161 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000045293073 695819433 /nfs/dbraw/zinc/81/94/33/695819433.db2.gz MDEZAIFGPRSKPY-UHFFFAOYSA-N -1 1 368.817 3.196 20 30 FGEDMM C#CCOc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000108289786 700524931 /nfs/dbraw/zinc/52/49/31/700524931.db2.gz HUWDTZNFVOOUMU-UHFFFAOYSA-N -1 1 370.459 3.320 20 30 FGEDMM C[C@@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000113695358 700574499 /nfs/dbraw/zinc/57/44/99/700574499.db2.gz FHPPXOYIGKBUCD-LBPRGKRZSA-N -1 1 362.382 3.085 20 30 FGEDMM C#C[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000121051054 700664700 /nfs/dbraw/zinc/66/47/00/700664700.db2.gz GVMARQBEZMLBIU-HNNXBMFYSA-N -1 1 357.431 3.283 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121391891 700671388 /nfs/dbraw/zinc/67/13/88/700671388.db2.gz JEFGTDQQUCYVPG-UHFFFAOYSA-N -1 1 372.631 3.170 20 30 FGEDMM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000175106608 705533370 /nfs/dbraw/zinc/53/33/70/705533370.db2.gz OSYPKMROUKIPQK-GXTWGEPZSA-N -1 1 357.435 3.429 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000231657492 713577902 /nfs/dbraw/zinc/57/79/02/713577902.db2.gz NIPYVJWYQOKXRN-UHFFFAOYSA-N -1 1 354.200 3.370 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NN2C(=S)N=NC2C(C)C)c1 ZINC000781581942 724576552 /nfs/dbraw/zinc/57/65/52/724576552.db2.gz QIPVJGYMCVSJSS-UHFFFAOYSA-N -1 1 355.261 3.349 20 30 FGEDMM C=CCCC1(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCCC1 ZINC000657064922 719556261 /nfs/dbraw/zinc/55/62/61/719556261.db2.gz VISAJPQZEKTSHC-UHFFFAOYSA-N -1 1 365.421 3.244 20 30 FGEDMM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1nc2ccccc2s1 ZINC000659012460 719849032 /nfs/dbraw/zinc/84/90/32/719849032.db2.gz UPLFCIPZOSXQLH-CYBMUJFWSA-N -1 1 352.419 3.334 20 30 FGEDMM CCCC[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000727257490 722442696 /nfs/dbraw/zinc/44/26/96/722442696.db2.gz PNXZDAYQDRWAAE-AWEZNQCLSA-N -1 1 353.444 3.361 20 30 FGEDMM CCCc1ccc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000748254624 722681790 /nfs/dbraw/zinc/68/17/90/722681790.db2.gz DBMRCHYEFXVTJJ-UHFFFAOYSA-N -1 1 361.423 3.250 20 30 FGEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000748255057 722682215 /nfs/dbraw/zinc/68/22/15/722682215.db2.gz KZQBDTUFSSLSKZ-UHFFFAOYSA-N -1 1 367.814 3.341 20 30 FGEDMM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754708853 722944783 /nfs/dbraw/zinc/94/47/83/722944783.db2.gz IGIVGCFWPXRJFX-UHFFFAOYSA-N -1 1 359.670 3.056 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cn(-c2ccc(F)cc2Cl)nn1 ZINC000755583237 722954617 /nfs/dbraw/zinc/95/46/17/722954617.db2.gz CVNKKUTXTUBUSC-OMCISZLKSA-N -1 1 357.728 3.382 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000765617338 723528042 /nfs/dbraw/zinc/52/80/42/723528042.db2.gz HCHQPHKICKACIQ-UHFFFAOYSA-N -1 1 356.809 3.041 20 30 FGEDMM CN(C)c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)c(C(F)(F)F)c1 ZINC000794526754 723529561 /nfs/dbraw/zinc/52/95/61/723529561.db2.gz VQEVWIPFPQPANV-UHFFFAOYSA-N -1 1 352.316 3.311 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ncc(I)s1 ZINC000794696001 723541438 /nfs/dbraw/zinc/54/14/38/723541438.db2.gz CCMVJUWMPLBOFQ-WTKPLQERSA-N -1 1 371.155 3.070 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2[C@H](O)C(F)(F)F)ccc1C#N ZINC000766549267 723580258 /nfs/dbraw/zinc/58/02/58/723580258.db2.gz SWLIZMQCCDEKBP-HNNXBMFYSA-N -1 1 370.352 3.263 20 30 FGEDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000767733517 723631678 /nfs/dbraw/zinc/63/16/78/723631678.db2.gz BTQQFCUXLIZZSS-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM O=c1nc(N=NCCCCc2ccc(Cl)c(Cl)c2)nc2[nH][n-]cc1-2 ZINC000768776472 723667028 /nfs/dbraw/zinc/66/70/28/723667028.db2.gz GIOSIJRDSWFRPG-UHFFFAOYSA-N -1 1 365.224 3.159 20 30 FGEDMM CC(=NNc1nc(=O)c2cnn(C)c2[n-]1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000769816207 723696820 /nfs/dbraw/zinc/69/68/20/723696820.db2.gz CZAQPMLDWOYMTM-NWDGAFQWSA-N -1 1 356.817 3.314 20 30 FGEDMM COCCc1nc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)s1 ZINC000770608324 723717221 /nfs/dbraw/zinc/71/72/21/723717221.db2.gz SCPMOMNHNYCKGQ-UHFFFAOYSA-N -1 1 363.439 3.183 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)OC)cc2)c1 ZINC000777614029 724244170 /nfs/dbraw/zinc/24/41/70/724244170.db2.gz FOTCISFZDHHQEN-UHFFFAOYSA-N -1 1 362.407 3.231 20 30 FGEDMM C#CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000785380475 724909825 /nfs/dbraw/zinc/90/98/25/724909825.db2.gz AVIAZYANILZHLB-UHFFFAOYSA-N -1 1 363.822 3.321 20 30 FGEDMM O=C([N-]C[C@H]1CCCN(CC#Cc2ccccc2Cl)C1)C(F)(F)F ZINC000810069895 725286363 /nfs/dbraw/zinc/28/63/63/725286363.db2.gz LUSIHHFBCUZXQA-CYBMUJFWSA-N -1 1 358.791 3.082 20 30 FGEDMM CC1(C)OCCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000814830138 727004388 /nfs/dbraw/zinc/00/43/88/727004388.db2.gz YOKFJALDRILBBY-UHFFFAOYSA-N -1 1 359.451 3.454 20 30 FGEDMM N#Cc1cc2c(nc1NCc1cccc(Br)c1[O-])CCOC2 ZINC000828032504 729438882 /nfs/dbraw/zinc/43/88/82/729438882.db2.gz WYRFKUFHPWIQEH-UHFFFAOYSA-N -1 1 360.211 3.106 20 30 FGEDMM CCO[C@@H](CC)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842281379 730480406 /nfs/dbraw/zinc/48/04/06/730480406.db2.gz IZKPJHIHPZDMFI-NEPJUHHUSA-N -1 1 359.451 3.267 20 30 FGEDMM C#C[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(F)cc1 ZINC000842413087 730497453 /nfs/dbraw/zinc/49/74/53/730497453.db2.gz RLDQFIRNRMYVAP-HNNXBMFYSA-N -1 1 360.410 3.202 20 30 FGEDMM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845832575 730901029 /nfs/dbraw/zinc/90/10/29/730901029.db2.gz FCNCTSSBEKHZIT-WCQYABFASA-N -1 1 361.463 3.496 20 30 FGEDMM C#CCOc1ccccc1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000848452750 731166287 /nfs/dbraw/zinc/16/62/87/731166287.db2.gz XTTBJQMNGFQIKX-UHFFFAOYSA-N -1 1 359.447 3.047 20 30 FGEDMM C=C(Cl)C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000864519510 733071829 /nfs/dbraw/zinc/07/18/29/733071829.db2.gz QHQQHVFHGAHYPP-GFCCVEGCSA-N -1 1 366.826 3.224 20 30 FGEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN[C@H](CO)c2ccccc2)cs1 ZINC000872370793 735621179 /nfs/dbraw/zinc/62/11/79/735621179.db2.gz FILOPJVKDXRXAX-CQSZACIVSA-N -1 1 362.455 3.147 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C(CC(F)(F)F)c2ccccc2)c2ccccc21 ZINC000915958856 758012143 /nfs/dbraw/zinc/01/21/43/758012143.db2.gz AAECVPHRONBLNP-UHFFFAOYSA-N -1 1 367.352 3.082 20 30 FGEDMM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000068241626 493783299 /nfs/dbraw/zinc/78/32/99/493783299.db2.gz FLLOCTLYXBVWOT-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccncc1 ZINC000007171963 494004621 /nfs/dbraw/zinc/00/46/21/494004621.db2.gz HXOGLKKWAXOEDR-UHFFFAOYSA-N -1 1 352.419 3.207 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2)cc1 ZINC000053077782 494090840 /nfs/dbraw/zinc/09/08/40/494090840.db2.gz SIKTVPNDQVAGAN-OAHLLOKOSA-N -1 1 371.462 3.028 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000064335875 494114699 /nfs/dbraw/zinc/11/46/99/494114699.db2.gz LURQWEDAPFLLKM-UHFFFAOYSA-N -1 1 370.478 3.261 20 30 FGEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C#N)C(C)(C)C)cc1 ZINC000085437305 494125353 /nfs/dbraw/zinc/12/53/53/494125353.db2.gz DSBYUMYDAODEJQ-CQSZACIVSA-N -1 1 357.483 3.361 20 30 FGEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055640269 494379918 /nfs/dbraw/zinc/37/99/18/494379918.db2.gz RHTALTFMWGOMOW-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000045851073 494469864 /nfs/dbraw/zinc/46/98/64/494469864.db2.gz RVODANXHNDZLDX-CQSZACIVSA-N -1 1 371.462 3.028 20 30 FGEDMM CC#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000568640732 505742864 /nfs/dbraw/zinc/74/28/64/505742864.db2.gz HZJXQMIZHAVKGL-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM CCc1ccccc1N1C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1=O ZINC000026254816 494812882 /nfs/dbraw/zinc/81/28/82/494812882.db2.gz HLKJVSUIRGKXKV-SNVBAGLBSA-N -1 1 367.331 3.027 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000116856349 494862162 /nfs/dbraw/zinc/86/21/62/494862162.db2.gz UOCSFISWLMNINH-HNNXBMFYSA-N -1 1 358.463 3.490 20 30 FGEDMM CCOc1cc(-c2noc(CSCC#N)n2)cc(Br)c1[O-] ZINC000109508017 494883977 /nfs/dbraw/zinc/88/39/77/494883977.db2.gz VFVSVLDHHYYZOS-UHFFFAOYSA-N -1 1 370.228 3.360 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000117228754 494902502 /nfs/dbraw/zinc/90/25/02/494902502.db2.gz RSZFEZJJKHMRPM-UHFFFAOYSA-N -1 1 374.462 3.029 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000130302206 495370827 /nfs/dbraw/zinc/37/08/27/495370827.db2.gz DAVNNSQRUPLTES-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000114673708 495407787 /nfs/dbraw/zinc/40/77/87/495407787.db2.gz UCVWRICEKOTTNF-UHFFFAOYSA-N -1 1 356.432 3.186 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000154212557 495546387 /nfs/dbraw/zinc/54/63/87/495546387.db2.gz NLRINRUJDZRUDY-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM CC#CCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000186145559 495872417 /nfs/dbraw/zinc/87/24/17/495872417.db2.gz RFMVIALWJMKPQT-UHFFFAOYSA-N -1 1 370.474 3.297 20 30 FGEDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc(C)c3C#N)CCCCCC2)no1 ZINC000156433191 496244544 /nfs/dbraw/zinc/24/45/44/496244544.db2.gz DCQDJRMVDMDGSM-UHFFFAOYSA-N -1 1 374.466 3.086 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)cc1 ZINC000172590570 496354253 /nfs/dbraw/zinc/35/42/53/496354253.db2.gz PTJGQMLZWWLFKQ-UHFFFAOYSA-N -1 1 371.462 3.053 20 30 FGEDMM C#CCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000163146319 496472745 /nfs/dbraw/zinc/47/27/45/496472745.db2.gz UEIGIFDFLZRWJG-LJQANCHMSA-N -1 1 364.445 3.070 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c(F)c1 ZINC000153851030 496601483 /nfs/dbraw/zinc/60/14/83/496601483.db2.gz GQIHECXPCUDYNL-UHFFFAOYSA-N -1 1 373.453 3.484 20 30 FGEDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158078030 496622885 /nfs/dbraw/zinc/62/28/85/496622885.db2.gz RMTITPXTEOBNBO-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000175994293 496635017 /nfs/dbraw/zinc/63/50/17/496635017.db2.gz CEBZWJBEYOKBCD-UHFFFAOYSA-N -1 1 352.438 3.429 20 30 FGEDMM N#CCCN(C(=O)CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000195080893 496817121 /nfs/dbraw/zinc/81/71/21/496817121.db2.gz YWRBMFZZRYESJL-UHFFFAOYSA-N -1 1 354.435 3.099 20 30 FGEDMM C[C@@H](Cc1ccccc1Br)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188742404 496893690 /nfs/dbraw/zinc/89/36/90/496893690.db2.gz KKGPTXOTFNMANJ-NSHDSACASA-N -1 1 359.223 3.387 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncon3)c2)cc1Cl ZINC000195449848 496924983 /nfs/dbraw/zinc/92/49/83/496924983.db2.gz AYVCMWCCCSWUQW-UHFFFAOYSA-N -1 1 360.782 3.062 20 30 FGEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000274497850 497111298 /nfs/dbraw/zinc/11/12/98/497111298.db2.gz LIFVOGUQZRGQPG-OAHLLOKOSA-N -1 1 373.450 3.107 20 30 FGEDMM C#CC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000270434621 497128015 /nfs/dbraw/zinc/12/80/15/497128015.db2.gz IUUKWKNZTKHURT-MRXNPFEDSA-N -1 1 355.463 3.026 20 30 FGEDMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC000189948672 497303187 /nfs/dbraw/zinc/30/31/87/497303187.db2.gz WUPDTVZCYRRKBH-KRWDZBQOSA-N -1 1 352.390 3.258 20 30 FGEDMM CCSCc1ccnc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)c1 ZINC000578323828 505914916 /nfs/dbraw/zinc/91/49/16/505914916.db2.gz YDHBVONTORZOHO-UHFFFAOYSA-N -1 1 361.492 3.343 20 30 FGEDMM N#Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CC2)cc1[O-] ZINC000190776540 497600312 /nfs/dbraw/zinc/60/03/12/497600312.db2.gz JKWPRXISUIBIES-UHFFFAOYSA-N -1 1 357.207 3.445 20 30 FGEDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)n1 ZINC000272374978 497611267 /nfs/dbraw/zinc/61/12/67/497611267.db2.gz AKHQYWDNUNSAGN-UHFFFAOYSA-N -1 1 359.411 3.173 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)CC#N)c2)c1 ZINC000194671341 497734443 /nfs/dbraw/zinc/73/44/43/497734443.db2.gz CISKQJFLILOUJP-HNNXBMFYSA-N -1 1 371.462 3.136 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCC#N)c1 ZINC000273171916 497806427 /nfs/dbraw/zinc/80/64/27/497806427.db2.gz WBDQXZBYNWZZBR-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM CC[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC([O-])=N1 ZINC000329758314 497891310 /nfs/dbraw/zinc/89/13/10/497891310.db2.gz NMNTWBVMJCTVJL-CHWSQXEVSA-N -1 1 354.414 3.408 20 30 FGEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000285051275 497980072 /nfs/dbraw/zinc/98/00/72/497980072.db2.gz JZOPTGLPWDKTAW-NSHDSACASA-N -1 1 357.259 3.056 20 30 FGEDMM N#Cc1cc(Cl)ccc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281449127 498154415 /nfs/dbraw/zinc/15/44/15/498154415.db2.gz UNVVHFLLIRIPKY-UHFFFAOYSA-N -1 1 359.779 3.102 20 30 FGEDMM COc1cc(C#N)ccc1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289685921 498247983 /nfs/dbraw/zinc/24/79/83/498247983.db2.gz ZRQQUDPRJSRSNH-UHFFFAOYSA-N -1 1 353.350 3.171 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000331217489 498277543 /nfs/dbraw/zinc/27/75/43/498277543.db2.gz GGCHVIZEIFIWNR-GXSJLCMTSA-N -1 1 352.403 3.267 20 30 FGEDMM C#CCOc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000365645456 498575579 /nfs/dbraw/zinc/57/55/79/498575579.db2.gz BYMHYMJROJAEDI-UHFFFAOYSA-N -1 1 363.413 3.139 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000312355320 498759481 /nfs/dbraw/zinc/75/94/81/498759481.db2.gz IQYXEOJVIDABIQ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM COc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cc(Cl)c1[O-] ZINC000408267866 499582700 /nfs/dbraw/zinc/58/27/00/499582700.db2.gz GKESZDVXMPHSOH-QAPCUYQASA-N -1 1 364.829 3.122 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000416937323 500161677 /nfs/dbraw/zinc/16/16/77/500161677.db2.gz DBMFDPKQZOFEOV-OAHLLOKOSA-N -1 1 373.482 3.024 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1F ZINC000427108023 500354354 /nfs/dbraw/zinc/35/43/54/500354354.db2.gz MWDVMLZUSREMCN-UHFFFAOYSA-N -1 1 374.315 3.439 20 30 FGEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427336643 500382752 /nfs/dbraw/zinc/38/27/52/500382752.db2.gz JQODINADCPLPJU-UHFFFAOYSA-N -1 1 370.409 3.207 20 30 FGEDMM C=CCCCS(=O)(=O)[N-]c1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000427778759 500431497 /nfs/dbraw/zinc/43/14/97/500431497.db2.gz JZIFOZYDZNQHNM-UHFFFAOYSA-N -1 1 351.403 3.461 20 30 FGEDMM N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)o1 ZINC000428166477 500476107 /nfs/dbraw/zinc/47/61/07/500476107.db2.gz YAIBXJSTQBTKJY-UHFFFAOYSA-N -1 1 367.386 3.204 20 30 FGEDMM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442855421 500635509 /nfs/dbraw/zinc/63/55/09/500635509.db2.gz BSINITVCPIEUSG-UHFFFAOYSA-N -1 1 374.824 3.215 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1[O-] ZINC000442872940 500638097 /nfs/dbraw/zinc/63/80/97/500638097.db2.gz OGOIUKMLSYXYSM-FQEVSTJZSA-N -1 1 371.396 3.374 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1[O-] ZINC000443069408 500674088 /nfs/dbraw/zinc/67/40/88/500674088.db2.gz JUOOGHKWNZXMNJ-MRXNPFEDSA-N -1 1 359.389 3.026 20 30 FGEDMM COc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000443111509 500681980 /nfs/dbraw/zinc/68/19/80/500681980.db2.gz PPJNHBSIJQKKOG-LJQANCHMSA-N -1 1 356.809 3.235 20 30 FGEDMM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000443292314 500705301 /nfs/dbraw/zinc/70/53/01/500705301.db2.gz UZHJWFVVCKCYIQ-INIZCTEOSA-N -1 1 350.418 3.367 20 30 FGEDMM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)nn2)c1 ZINC000434554497 500860133 /nfs/dbraw/zinc/86/01/33/500860133.db2.gz CRLFFTLJYCWDCA-HNNXBMFYSA-N -1 1 374.379 3.390 20 30 FGEDMM N#CCc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c(Cl)c1 ZINC000451031085 501240652 /nfs/dbraw/zinc/24/06/52/501240652.db2.gz ZLSNJTIPYDHLHQ-LBPRGKRZSA-N -1 1 352.765 3.025 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)cc1OCC ZINC000451116133 501246760 /nfs/dbraw/zinc/24/67/60/501246760.db2.gz QOIQASGHNMIVLZ-UHFFFAOYSA-N -1 1 360.435 3.465 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000486503637 502174296 /nfs/dbraw/zinc/17/42/96/502174296.db2.gz ASYLLRLKMYIFJI-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM CC[C@](C)(C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000487538446 502472720 /nfs/dbraw/zinc/47/27/20/502472720.db2.gz FMMDCYPLKZQLEF-CYBMUJFWSA-N -1 1 353.245 3.201 20 30 FGEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[nH]n1 ZINC000466280677 502524565 /nfs/dbraw/zinc/52/45/65/502524565.db2.gz LWUILZZGKYWMNJ-UHFFFAOYSA-N -1 1 374.372 3.336 20 30 FGEDMM C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000476583786 502533334 /nfs/dbraw/zinc/53/33/34/502533334.db2.gz WKXFAVHIKBEAAD-ZCFIWIBFSA-N -1 1 353.259 3.321 20 30 FGEDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccccc3CC#N)ccc21 ZINC000509397829 502892206 /nfs/dbraw/zinc/89/22/06/502892206.db2.gz XIBDJBIYBRSZKQ-UHFFFAOYSA-N -1 1 354.435 3.484 20 30 FGEDMM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489650154 503004117 /nfs/dbraw/zinc/00/41/17/503004117.db2.gz OFSRWBNWVKADAB-LURJTMIESA-N -1 1 369.258 3.344 20 30 FGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000517436093 503745237 /nfs/dbraw/zinc/74/52/37/503745237.db2.gz CIXKYWGMXCGHIM-UHFFFAOYSA-N -1 1 368.461 3.253 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1C#N ZINC000530145868 503853789 /nfs/dbraw/zinc/85/37/89/503853789.db2.gz WUTIHHXPKFABQT-UHFFFAOYSA-N -1 1 360.435 3.131 20 30 FGEDMM C=C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000520494531 504512813 /nfs/dbraw/zinc/51/28/13/504512813.db2.gz RJNNJMQBJUZEPQ-UHFFFAOYSA-N -1 1 356.447 3.280 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)c1 ZINC000520872466 504600872 /nfs/dbraw/zinc/60/08/72/504600872.db2.gz PLTDCRDZNAOHKZ-UHFFFAOYSA-N -1 1 361.419 3.147 20 30 FGEDMM Cc1[nH]nc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C ZINC000564594575 505463985 /nfs/dbraw/zinc/46/39/85/505463985.db2.gz FAFHIRRQGXVLKX-UHFFFAOYSA-N -1 1 352.423 3.011 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)s1 ZINC000599417780 506447713 /nfs/dbraw/zinc/44/77/13/506447713.db2.gz RMONFQVUISWWBZ-ZDUSSCGKSA-N -1 1 356.419 3.165 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c1 ZINC000589170193 506469742 /nfs/dbraw/zinc/46/97/42/506469742.db2.gz MVKYNLRPPVWITD-UHFFFAOYSA-N -1 1 371.396 3.446 20 30 FGEDMM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc([O-])cc(C#N)c4)C3)nc2c1 ZINC000589175516 506471068 /nfs/dbraw/zinc/47/10/68/506471068.db2.gz NXJFSENZCBBTBK-OAHLLOKOSA-N -1 1 360.417 3.468 20 30 FGEDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([O-])cc(C#N)c4)C3)[nH]c2c1 ZINC000589175516 506471074 /nfs/dbraw/zinc/47/10/74/506471074.db2.gz NXJFSENZCBBTBK-OAHLLOKOSA-N -1 1 360.417 3.468 20 30 FGEDMM CCOc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1OC(F)F ZINC000589189248 506475129 /nfs/dbraw/zinc/47/51/29/506475129.db2.gz QDKKRAVGCISOEA-UHFFFAOYSA-N -1 1 362.332 3.194 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2CC[C@](C)(C#N)C2)cc1 ZINC000603409250 506506171 /nfs/dbraw/zinc/50/61/71/506506171.db2.gz KDGAYZSZKRKNOZ-LJQANCHMSA-N -1 1 371.462 3.236 20 30 FGEDMM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000582978056 506520393 /nfs/dbraw/zinc/52/03/93/506520393.db2.gz NAKRUFCEEAZQKV-HNNXBMFYSA-N -1 1 374.400 3.334 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1F ZINC000589594369 506594613 /nfs/dbraw/zinc/59/46/13/506594613.db2.gz AJSFVJPPZZFBEP-UHFFFAOYSA-N -1 1 360.288 3.239 20 30 FGEDMM Cc1ccc(NC(=O)CC2(C#N)CC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000590154247 506751351 /nfs/dbraw/zinc/75/13/51/506751351.db2.gz VZFGVRNFSJVOEE-UHFFFAOYSA-N -1 1 369.446 3.428 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC)c2)c1 ZINC000604534902 506865318 /nfs/dbraw/zinc/86/53/18/506865318.db2.gz ZDMFUPALHNZROY-UHFFFAOYSA-N -1 1 361.419 3.229 20 30 FGEDMM Cc1c[nH]cc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000613289758 507012630 /nfs/dbraw/zinc/01/26/30/507012630.db2.gz NYJQMRQPATWRKO-NSHDSACASA-N -1 1 352.419 3.402 20 30 FGEDMM N#CCCCCC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000594420278 507124299 /nfs/dbraw/zinc/12/42/99/507124299.db2.gz IORLNVDIVIMSAR-UHFFFAOYSA-N -1 1 353.245 3.345 20 30 FGEDMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000594695338 507242254 /nfs/dbraw/zinc/24/22/54/507242254.db2.gz DZXHZWDONKNCAD-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000598222948 507326353 /nfs/dbraw/zinc/32/63/53/507326353.db2.gz DFCLALOKLBAHPV-GOSISDBHSA-N -1 1 354.381 3.395 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)c1ccc(C#N)cc1 ZINC000601304827 507328367 /nfs/dbraw/zinc/32/83/67/507328367.db2.gz RXVXDTDOSHENJH-SECBINFHSA-N -1 1 351.815 3.117 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)n[nH]1 ZINC000610769191 507384273 /nfs/dbraw/zinc/38/42/73/507384273.db2.gz MLZABUQKNZEFKV-UHFFFAOYSA-N -1 1 366.446 3.176 20 30 FGEDMM CC(C)(C)OC(=O)[C@@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000598503076 507460486 /nfs/dbraw/zinc/46/04/86/507460486.db2.gz PNYCMGYPIRMUHV-NRFANRHFSA-N -1 1 366.417 3.251 20 30 FGEDMM N#CCc1ccc(CS(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598628201 507522412 /nfs/dbraw/zinc/52/24/12/507522412.db2.gz LKOOHKHAZRYDED-MRXNPFEDSA-N -1 1 356.438 3.386 20 30 FGEDMM N#CCc1ccc(CS(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)cc1 ZINC000598628200 507522482 /nfs/dbraw/zinc/52/24/82/507522482.db2.gz LKOOHKHAZRYDED-INIZCTEOSA-N -1 1 356.438 3.386 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000592351018 507613663 /nfs/dbraw/zinc/61/36/63/507613663.db2.gz MDYPIHOPLAQJEJ-ZFWWWQNUSA-N -1 1 356.513 3.494 20 30 FGEDMM COC(=O)COc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592398683 507639044 /nfs/dbraw/zinc/63/90/44/507639044.db2.gz FVMJWSQONQQJEH-CQSZACIVSA-N -1 1 356.403 3.062 20 30 FGEDMM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000586865375 507696920 /nfs/dbraw/zinc/69/69/20/507696920.db2.gz GELZDPXLHDYSLS-UHFFFAOYSA-N -1 1 364.323 3.477 20 30 FGEDMM CCCN1c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2CCC1=O ZINC000064747915 535003947 /nfs/dbraw/zinc/00/39/47/535003947.db2.gz MLXHPBYPGPUWOP-UHFFFAOYSA-N -1 1 369.446 3.048 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2ccc(Cl)c3Cl)o1 ZINC000737468109 598787600 /nfs/dbraw/zinc/78/76/00/598787600.db2.gz ZDVBRJSTCPDMLU-UHFFFAOYSA-N -1 1 364.196 3.232 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3c2OC(C)(C)C3)o1 ZINC000735938625 599534131 /nfs/dbraw/zinc/53/41/31/599534131.db2.gz CEEBDHQTVNLJLF-UHFFFAOYSA-N -1 1 367.413 3.138 20 30 FGEDMM Cc1cccc2[nH]c(C(C#N)C(=O)Cn3cc(C(=O)[O-])c4ccccc43)nc21 ZINC000738747581 600519703 /nfs/dbraw/zinc/51/97/03/600519703.db2.gz XCEYAAVFHZSBAJ-AWEZNQCLSA-N -1 1 372.384 3.401 20 30 FGEDMM Cc1cccc2nc([C@@H](C#N)C(=O)Cn3cc(C(=O)[O-])c4ccccc43)[nH]c21 ZINC000738747581 600519705 /nfs/dbraw/zinc/51/97/05/600519705.db2.gz XCEYAAVFHZSBAJ-AWEZNQCLSA-N -1 1 372.384 3.401 20 30 FGEDMM Cc1cccc2nc(C(C#N)C(=O)Cn3cc(C(=O)[O-])c4ccccc43)[nH]c21 ZINC000738747581 600519706 /nfs/dbraw/zinc/51/97/06/600519706.db2.gz XCEYAAVFHZSBAJ-AWEZNQCLSA-N -1 1 372.384 3.401 20 30 FGEDMM N#CCCn1cc(CNCc2ccc(C(=O)[O-])o2)c(-c2ccccc2)n1 ZINC000739075646 600525275 /nfs/dbraw/zinc/52/52/75/600525275.db2.gz KTTVRXMQYFWFDO-UHFFFAOYSA-N -1 1 350.378 3.045 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000833074826 601305884 /nfs/dbraw/zinc/30/58/84/601305884.db2.gz FCMSRLOLSYABCH-OAHLLOKOSA-N -1 1 363.186 3.375 20 30 FGEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000828414061 601317360 /nfs/dbraw/zinc/31/73/60/601317360.db2.gz WRNMCXZUGCXDBG-VBQJREDUSA-N -1 1 373.453 3.014 20 30 FGEDMM CN(Cc1ccc(F)c(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825344 601906587 /nfs/dbraw/zinc/90/65/87/601906587.db2.gz RHIAHZRAACWUPI-MRXNPFEDSA-N -1 1 352.287 3.372 20 30 FGEDMM Cc1cc(C(C#N)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000740058718 602670074 /nfs/dbraw/zinc/67/00/74/602670074.db2.gz CLUIDGOUWVCULC-HOTGVXAUSA-N -1 1 352.394 3.059 20 30 FGEDMM N#CC(C(=O)CC1(NC(=O)[O-])CCC1)c1nc2ccccc2n1C(F)F ZINC000831066025 604254004 /nfs/dbraw/zinc/25/40/04/604254004.db2.gz UNUGVVPMHKLKRK-JTQLQIEISA-N -1 1 362.336 3.188 20 30 FGEDMM N#CC(C(=O)[C@H](Cc1ccccc1)NC(=O)[O-])c1ccc2ccccc2n1 ZINC000833960770 605948240 /nfs/dbraw/zinc/94/82/40/605948240.db2.gz KSRYDJMLGOIGRS-LPHOPBHVSA-N -1 1 359.385 3.290 20 30 FGEDMM Fc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822747995 606370901 /nfs/dbraw/zinc/37/09/01/606370901.db2.gz BNNHHUGEVKFPNS-UHFFFAOYSA-N -1 1 367.207 3.276 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(C(C)C)s2)o1 ZINC000820108969 606917103 /nfs/dbraw/zinc/91/71/03/606917103.db2.gz XAUVPYWVRXRYCD-UHFFFAOYSA-N -1 1 360.447 3.079 20 30 FGEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(O)c(F)c1 ZINC000820831775 606988904 /nfs/dbraw/zinc/98/89/04/606988904.db2.gz CMEOCTRQOWCFPS-UHFFFAOYSA-N -1 1 359.365 3.049 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(Cc2ccccc2)c1 ZINC000822927821 607151296 /nfs/dbraw/zinc/15/12/96/607151296.db2.gz BFARDLVEGHURTO-SOFGYWHQSA-N -1 1 362.418 3.069 20 30 FGEDMM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nn[n-]n2)s1)CCC3 ZINC000823504143 607171637 /nfs/dbraw/zinc/17/16/37/607171637.db2.gz MTEAYCONEVVZET-JYRVWZFOSA-N -1 1 364.430 3.466 20 30 FGEDMM C[C@H](CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824384378 607930872 /nfs/dbraw/zinc/93/08/72/607930872.db2.gz BFZPWVCRKCNQTE-SNVBAGLBSA-N -1 1 357.393 3.493 20 30 FGEDMM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000826400339 608093027 /nfs/dbraw/zinc/09/30/27/608093027.db2.gz WGWQUIWHSPEZRZ-DAFODLJHSA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000826400339 608093028 /nfs/dbraw/zinc/09/30/28/608093028.db2.gz WGWQUIWHSPEZRZ-DAFODLJHSA-N -1 1 361.770 3.386 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2cc(C#N)cs2)c(-c2nnn[n-]2)s1 ZINC000824131148 608346186 /nfs/dbraw/zinc/34/61/86/608346186.db2.gz UTLCTIXOWDNHDI-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2cc(C#N)cs2)c(-c2nn[n-]n2)s1 ZINC000824131148 608346188 /nfs/dbraw/zinc/34/61/88/608346188.db2.gz UTLCTIXOWDNHDI-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000084714512 700361988 /nfs/dbraw/zinc/36/19/88/700361988.db2.gz MPZTWTAEQSJDLG-HNNXBMFYSA-N -1 1 358.419 3.255 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Br)ccc2Cl)c(=O)o1 ZINC000129887494 700793098 /nfs/dbraw/zinc/79/30/98/700793098.db2.gz CXNJJQDXQNSGQK-IWZWCOEHSA-N -1 1 369.598 3.331 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC(C)(C)C#N)c2)cc1 ZINC000181847402 705811495 /nfs/dbraw/zinc/81/14/95/705811495.db2.gz JNRSUVBPIHPMQI-UHFFFAOYSA-N -1 1 358.419 3.255 20 30 FGEDMM CC(C)CN(CCC#N)C(=O)c1ccc(I)c([O-])c1 ZINC000230890791 713577878 /nfs/dbraw/zinc/57/78/78/713577878.db2.gz NSGKTEVROABMSB-UHFFFAOYSA-N -1 1 372.206 3.009 20 30 FGEDMM N#CC1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CCCC1 ZINC000577802924 714469429 /nfs/dbraw/zinc/46/94/29/714469429.db2.gz SASVUUPUZRQWNQ-UHFFFAOYSA-N -1 1 360.211 3.269 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000619463455 714838922 /nfs/dbraw/zinc/83/89/22/714838922.db2.gz CHDIGAKXZOYTBU-UHFFFAOYSA-N -1 1 362.361 3.298 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCOc3ccc(Br)cc3C2)c1 ZINC000619820218 714873173 /nfs/dbraw/zinc/87/31/73/714873173.db2.gz CYPCLUMKIXURIJ-UHFFFAOYSA-N -1 1 373.206 3.061 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NNC(=S)N[C@H](C)C2CC2)c1 ZINC000781592562 724577143 /nfs/dbraw/zinc/57/71/43/724577143.db2.gz HAAKHMBNMOMTLL-SECBINFHSA-N -1 1 356.289 3.060 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662218459 720395884 /nfs/dbraw/zinc/39/58/84/720395884.db2.gz NUEGBTHNNCUIMM-HNNXBMFYSA-N -1 1 364.511 3.228 20 30 FGEDMM O=C(c1c(F)ccc([O-])c1F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000685442807 722385205 /nfs/dbraw/zinc/38/52/05/722385205.db2.gz NSBHBHXCONHOJT-WDSKDSINSA-N -1 1 363.204 3.483 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000730996302 722472539 /nfs/dbraw/zinc/47/25/39/722472539.db2.gz LGFVIWUDNXYNPP-UHFFFAOYSA-N -1 1 356.378 3.187 20 30 FGEDMM O=c1nc(NN=Cc2ccc(-c3cccc(Cl)c3)s2)nc2[nH][n-]cc1-2 ZINC000731154398 722473651 /nfs/dbraw/zinc/47/36/51/722473651.db2.gz JUKCTMGRNSQVSA-UHFFFAOYSA-N -1 1 370.825 3.260 20 30 FGEDMM Cc1ccccc1C1CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000748255210 722682036 /nfs/dbraw/zinc/68/20/36/722682036.db2.gz QTAQRJYPANUJIE-UHFFFAOYSA-N -1 1 359.407 3.115 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc2ccc(C)cc2o1 ZINC000754931711 722948030 /nfs/dbraw/zinc/94/80/30/722948030.db2.gz DJWZHBRDOMKCIL-UHFFFAOYSA-N -1 1 353.403 3.204 20 30 FGEDMM CCOc1ccc(C2N=NC(=S)N2N=Cc2cccc(F)c2[O-])cc1 ZINC000755604653 722954880 /nfs/dbraw/zinc/95/48/80/722954880.db2.gz ORQUXRRDZKUXQX-UHFFFAOYSA-N -1 1 358.398 3.359 20 30 FGEDMM COc1ccccc1NC(=S)NN=C(C)c1cc(F)cc(F)c1[O-] ZINC000757451353 722976391 /nfs/dbraw/zinc/97/63/91/722976391.db2.gz NIVLDDVAMHXVSN-UHFFFAOYSA-N -1 1 351.378 3.390 20 30 FGEDMM [O-]c1c(O)cc(C=NNc2cnnc3ccccc32)cc1Br ZINC000757583767 722977244 /nfs/dbraw/zinc/97/72/44/722977244.db2.gz GJJJFTCZSONSOV-UHFFFAOYSA-N -1 1 359.183 3.250 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1[C@@H](O)C(F)(F)F ZINC000758165685 722985358 /nfs/dbraw/zinc/98/53/58/722985358.db2.gz QFTGOJPLHJNJLN-OAHLLOKOSA-N -1 1 370.352 3.263 20 30 FGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCCC(C)(C)C#N ZINC000768643613 723664050 /nfs/dbraw/zinc/66/40/50/723664050.db2.gz JGSKKHRUPVGZDG-UHFFFAOYSA-N -1 1 352.456 3.325 20 30 FGEDMM COc1cc(C=NNc2c(F)cccc2Cl)ccc1OCC(=O)[O-] ZINC000769827237 723697184 /nfs/dbraw/zinc/69/71/84/723697184.db2.gz SEVFJOVCDAQJPM-UHFFFAOYSA-N -1 1 352.749 3.397 20 30 FGEDMM C#C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000770359712 723711913 /nfs/dbraw/zinc/71/19/13/723711913.db2.gz AVTJSDDHDPPGQS-ZCFIWIBFSA-N -1 1 357.056 3.056 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC[C@H](C)C#N)cc2)cc1 ZINC000770949954 723724413 /nfs/dbraw/zinc/72/44/13/723724413.db2.gz NKUVSCFNBWHGIC-CQSZACIVSA-N -1 1 358.419 3.112 20 30 FGEDMM CC[C@@H]1CC[C@H](C)CC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000797402064 723812138 /nfs/dbraw/zinc/81/21/38/723812138.db2.gz SOYLQNVBKHQVKL-GXTWGEPZSA-N -1 1 353.444 3.216 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ncc2C)ccc1C#N ZINC000775075818 723958662 /nfs/dbraw/zinc/95/86/62/723958662.db2.gz PEYYQJCAJKWOTM-UHFFFAOYSA-N -1 1 366.240 3.133 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000776350726 724134829 /nfs/dbraw/zinc/13/48/29/724134829.db2.gz UURRGULSMUFFIP-HNNXBMFYSA-N -1 1 351.189 3.034 20 30 FGEDMM COc1cc(C)nc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000776762080 724180139 /nfs/dbraw/zinc/18/01/39/724180139.db2.gz IXAIHEOGXCLILD-UHFFFAOYSA-N -1 1 371.491 3.453 20 30 FGEDMM C=CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccncc1 ZINC000778000550 724281659 /nfs/dbraw/zinc/28/16/59/724281659.db2.gz PZEYWPXLENLKHI-GFCCVEGCSA-N -1 1 358.250 3.379 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=C2CCCOc3cc(Br)ccc32)n1 ZINC000819839527 728947451 /nfs/dbraw/zinc/94/74/51/728947451.db2.gz LJZOYVQMZNCWNY-UHFFFAOYSA-N -1 1 363.215 3.242 20 30 FGEDMM C=CCN(CC=C)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836743176 729968036 /nfs/dbraw/zinc/96/80/36/729968036.db2.gz QSOOOPNXHGBBLG-UHFFFAOYSA-N -1 1 355.360 3.379 20 30 FGEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841543119 730254717 /nfs/dbraw/zinc/25/47/17/730254717.db2.gz WNBHMHLZXMSCJV-UHFFFAOYSA-N -1 1 366.226 3.120 20 30 FGEDMM COCC(C)=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000845436953 730849692 /nfs/dbraw/zinc/84/96/92/730849692.db2.gz AORJPKXRUZOTLQ-UMAGTOLTSA-N -1 1 357.435 3.045 20 30 FGEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCC(=C3CCC3)CC2)cc1 ZINC000853297581 731692638 /nfs/dbraw/zinc/69/26/38/731692638.db2.gz IATSXGDQHGISTC-UHFFFAOYSA-N -1 1 363.439 3.425 20 30 FGEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1c(F)ccc([O-])c1F ZINC000899097100 742871422 /nfs/dbraw/zinc/87/14/22/742871422.db2.gz LWRVVSMAJFDSPG-UHFFFAOYSA-N -1 1 355.156 3.233 20 30 FGEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cs1 ZINC000901264320 743244636 /nfs/dbraw/zinc/24/46/36/743244636.db2.gz AHOARALZJGFJSL-MRVPVSSYSA-N -1 1 361.448 3.240 20 30 FGEDMM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccco1 ZINC000914031439 757669804 /nfs/dbraw/zinc/66/98/04/757669804.db2.gz XXTOUOQQAHYALA-OAHLLOKOSA-N -1 1 368.480 3.046 20 30 FGEDMM [O-]c1c(Br)cccc1C=NNC(=S)NCc1ccccc1 ZINC000915942892 758007877 /nfs/dbraw/zinc/00/78/77/758007877.db2.gz MIRLXWOSCIYHSQ-UHFFFAOYSA-N -1 1 364.268 3.153 20 30 FGEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)n[nH]1 ZINC000108928835 206041376 /nfs/dbraw/zinc/04/13/76/206041376.db2.gz FVGIWYMXARYFGU-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000579694524 505603719 /nfs/dbraw/zinc/60/37/19/505603719.db2.gz GEVBOAVFOYZUII-WCQYABFASA-N -1 1 356.325 3.004 20 30 FGEDMM Cc1cccc(N(CCC#N)C(=O)CSc2ncc(C)c(=O)[n-]2)c1C ZINC000568270658 505656071 /nfs/dbraw/zinc/65/60/71/505656071.db2.gz MWTPVFXYBCTZRS-UHFFFAOYSA-N -1 1 356.451 3.146 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 ZINC000041516332 494166545 /nfs/dbraw/zinc/16/65/45/494166545.db2.gz VZIDULWMGBECFQ-CABCVRRESA-N -1 1 355.419 3.059 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000574302828 505742770 /nfs/dbraw/zinc/74/27/70/505742770.db2.gz PGGJCMDAVGVZTC-INIZCTEOSA-N -1 1 355.401 3.377 20 30 FGEDMM N#C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC000114310495 495360965 /nfs/dbraw/zinc/36/09/65/495360965.db2.gz WJHWUWPGGOPODO-LJQANCHMSA-N -1 1 371.440 3.396 20 30 FGEDMM N#Cc1cc(F)c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c(F)c1 ZINC000154970027 495788938 /nfs/dbraw/zinc/78/89/38/495788938.db2.gz OTXWEJOGOXUXRQ-UHFFFAOYSA-N -1 1 373.750 3.382 20 30 FGEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000174652322 496047148 /nfs/dbraw/zinc/04/71/48/496047148.db2.gz XXJIHVMSOGHNAQ-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM C[C@H](CC#N)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184149272 496259152 /nfs/dbraw/zinc/25/91/52/496259152.db2.gz OYQNUUSIQMZXGS-CQSZACIVSA-N -1 1 372.450 3.253 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(C)c1F ZINC000181122009 496278024 /nfs/dbraw/zinc/27/80/24/496278024.db2.gz VFHSHTNCGDTGAG-UHFFFAOYSA-N -1 1 354.790 3.469 20 30 FGEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172590377 496354288 /nfs/dbraw/zinc/35/42/88/496354288.db2.gz NWTQDVBYXNCIIO-UHFFFAOYSA-N -1 1 369.446 3.324 20 30 FGEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C ZINC000157613314 496515148 /nfs/dbraw/zinc/51/51/48/496515148.db2.gz UIHAGVICBUUXJQ-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM COc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(C(F)(F)F)c1 ZINC000187959010 496631840 /nfs/dbraw/zinc/63/18/40/496631840.db2.gz VAXSYEDVGFCWOU-UHFFFAOYSA-N -1 1 350.296 3.221 20 30 FGEDMM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188274277 496737224 /nfs/dbraw/zinc/73/72/24/496737224.db2.gz OCPXCWROJBHVQZ-CYBMUJFWSA-N -1 1 356.447 3.431 20 30 FGEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)cc1[O-] ZINC000188381332 496770967 /nfs/dbraw/zinc/77/09/67/496770967.db2.gz LYIFRRPWLKMFMA-UHFFFAOYSA-N -1 1 350.418 3.333 20 30 FGEDMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189185415 497035857 /nfs/dbraw/zinc/03/58/57/497035857.db2.gz XDTSWVDLUSWOOE-SECBINFHSA-N -1 1 366.343 3.131 20 30 FGEDMM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000230341858 497104495 /nfs/dbraw/zinc/10/44/95/497104495.db2.gz HYANQRXXKLRMLZ-UHFFFAOYSA-N -1 1 373.253 3.192 20 30 FGEDMM C=CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CC1 ZINC000271468434 497357010 /nfs/dbraw/zinc/35/70/10/497357010.db2.gz YGJMEYFQBVSXAG-UHFFFAOYSA-N -1 1 358.316 3.294 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000193356504 497359081 /nfs/dbraw/zinc/35/90/81/497359081.db2.gz LACCGLHVYVANFO-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000193359180 497360605 /nfs/dbraw/zinc/36/06/05/497360605.db2.gz CYDHLVZUUCSVJH-UHFFFAOYSA-N -1 1 351.225 3.316 20 30 FGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000267529550 497572698 /nfs/dbraw/zinc/57/26/98/497572698.db2.gz PTNQHWNFRJJNKS-QGZVFWFLSA-N -1 1 371.462 3.155 20 30 FGEDMM Cc1ccc(NC(=O)C(C)(C)C#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000194476726 497679801 /nfs/dbraw/zinc/67/98/01/497679801.db2.gz SZPGFYCKFDLAOR-UHFFFAOYSA-N -1 1 357.435 3.284 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)[C@H]1C[C@H]1C ZINC000295193603 498939074 /nfs/dbraw/zinc/93/90/74/498939074.db2.gz LPQTWDMITCYVKV-YJYMSZOUSA-N -1 1 369.446 3.120 20 30 FGEDMM N#Cc1ccc(C2(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)CC2)cc1 ZINC000370403727 499217134 /nfs/dbraw/zinc/21/71/34/499217134.db2.gz GBVKAIKXFUYMRA-UHFFFAOYSA-N -1 1 374.440 3.417 20 30 FGEDMM CCOC(=O)C(=C([O-])CSc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000412992983 499903207 /nfs/dbraw/zinc/90/32/07/499903207.db2.gz NLWZKYDJFFUOBO-HNNXBMFYSA-N -1 1 360.460 3.331 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1F ZINC000427122269 500356002 /nfs/dbraw/zinc/35/60/02/500356002.db2.gz PRWWOCQNMCXIHQ-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)cc1F ZINC000443052157 500669614 /nfs/dbraw/zinc/66/96/14/500669614.db2.gz PUYQNQSTEDPRPN-LLVKDONJSA-N -1 1 366.352 3.252 20 30 FGEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2ccccc2c1 ZINC000443126339 500684619 /nfs/dbraw/zinc/68/46/19/500684619.db2.gz YRXQFOLSJQWNTE-IBGZPJMESA-N -1 1 374.396 3.451 20 30 FGEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1nc(C(F)(F)F)cs1 ZINC000443323737 500709783 /nfs/dbraw/zinc/70/97/83/500709783.db2.gz RXTNYIQCDPPSHX-UHFFFAOYSA-N -1 1 355.341 3.404 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000588144599 506217435 /nfs/dbraw/zinc/21/74/35/506217435.db2.gz OXDIYUVHBHKKQZ-NSHDSACASA-N -1 1 354.300 3.043 20 30 FGEDMM Cc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000448704770 500809180 /nfs/dbraw/zinc/80/91/80/500809180.db2.gz OOXMVBUUGVYGFG-LIRRHRJNSA-N -1 1 369.446 3.284 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)ccc1C#N ZINC000435720025 501017502 /nfs/dbraw/zinc/01/75/02/501017502.db2.gz UCZBRENMCWNZDA-GOSISDBHSA-N -1 1 372.446 3.225 20 30 FGEDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000436258910 501096952 /nfs/dbraw/zinc/09/69/52/501096952.db2.gz JTVNFVAQAIFAKK-FWHMADFJSA-N -1 1 374.510 3.471 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)ccc1C#N ZINC000446784328 501165217 /nfs/dbraw/zinc/16/52/17/501165217.db2.gz IVGCTTYUWLWZHC-UHFFFAOYSA-N -1 1 362.361 3.481 20 30 FGEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc([O-])cc3F)ccc21 ZINC000436839376 501219582 /nfs/dbraw/zinc/21/95/82/501219582.db2.gz LTUDTJPPJUWSEC-UHFFFAOYSA-N -1 1 367.380 3.367 20 30 FGEDMM C=C(C)CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436889809 501227738 /nfs/dbraw/zinc/22/77/38/501227738.db2.gz YDJLNHJJOMQRHC-SFHVURJKSA-N -1 1 352.434 3.185 20 30 FGEDMM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000451034975 501240938 /nfs/dbraw/zinc/24/09/38/501240938.db2.gz ZGZXWQLOAPRELG-UHFFFAOYSA-N -1 1 353.259 3.464 20 30 FGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000451111018 501246479 /nfs/dbraw/zinc/24/64/79/501246479.db2.gz RIKKISGRDCHHRA-UHFFFAOYSA-N -1 1 371.462 3.035 20 30 FGEDMM C=C(CC)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000452040355 501422967 /nfs/dbraw/zinc/42/29/67/501422967.db2.gz JQCAHJWNXAGWFK-UHFFFAOYSA-N -1 1 352.239 3.025 20 30 FGEDMM Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc([O-])c(F)c3F)C2)n1 ZINC000456788212 501598551 /nfs/dbraw/zinc/59/85/51/501598551.db2.gz RIHXIULOZGEMHL-CYBMUJFWSA-N -1 1 372.375 3.101 20 30 FGEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(F)(F)F ZINC000468755785 502172148 /nfs/dbraw/zinc/17/21/48/502172148.db2.gz AJEZTJVBDVDEEM-JTQLQIEISA-N -1 1 360.279 3.196 20 30 FGEDMM C[C@@]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)(C1CC1)C(F)(F)F ZINC000479157941 502179118 /nfs/dbraw/zinc/17/91/18/502179118.db2.gz YWPDOKMGIWFSAN-GFCCVEGCSA-N -1 1 352.765 3.221 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000465143535 502201220 /nfs/dbraw/zinc/20/12/20/502201220.db2.gz BSOIWPLRRAVATF-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM C=CCOc1ccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1OC ZINC000470300741 502729711 /nfs/dbraw/zinc/72/97/11/502729711.db2.gz XAYIEKVZQDAEMD-RAXLEYEMSA-N -1 1 370.405 3.493 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000509393012 502891169 /nfs/dbraw/zinc/89/11/69/502891169.db2.gz VUULOOPXUULILT-UHFFFAOYSA-N -1 1 365.336 3.444 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)cc1C#N ZINC000489639620 503002907 /nfs/dbraw/zinc/00/29/07/503002907.db2.gz NXYHEAQNUGKADT-AWEZNQCLSA-N -1 1 361.389 3.051 20 30 FGEDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489650155 503004194 /nfs/dbraw/zinc/00/41/94/503004194.db2.gz OFSRWBNWVKADAB-ZCFIWIBFSA-N -1 1 369.258 3.344 20 30 FGEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000501792201 503081454 /nfs/dbraw/zinc/08/14/54/503081454.db2.gz GIORIGLPIRQPNE-UHFFFAOYSA-N -1 1 372.446 3.465 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000498096138 503105660 /nfs/dbraw/zinc/10/56/60/503105660.db2.gz WXZWQOIIQKLPFR-LLVKDONJSA-N -1 1 364.448 3.187 20 30 FGEDMM CC[C@@](C)(C#N)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000506497406 503126480 /nfs/dbraw/zinc/12/64/80/503126480.db2.gz WUHWANGLBFYCKB-SFHVURJKSA-N -1 1 357.435 3.366 20 30 FGEDMM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc2ccccc21 ZINC000515697857 503386919 /nfs/dbraw/zinc/38/69/19/503386919.db2.gz JYSQFCCXDVUWPY-LJQANCHMSA-N -1 1 374.396 3.451 20 30 FGEDMM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)c(C(=O)[O-])c1 ZINC000548521468 504475547 /nfs/dbraw/zinc/47/55/47/504475547.db2.gz VKNQZXCHHGHMKZ-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000553470598 504923627 /nfs/dbraw/zinc/92/36/27/504923627.db2.gz NCBHEGHLNQIXOZ-UHFFFAOYSA-N -1 1 357.218 3.426 20 30 FGEDMM CC(C)(C)[C@H](COc1ccccc1F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553491198 504930169 /nfs/dbraw/zinc/93/01/69/504930169.db2.gz DPKSJXQTVLBDDC-HNNXBMFYSA-N -1 1 366.414 3.062 20 30 FGEDMM COc1nc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2s1 ZINC000551478124 505234347 /nfs/dbraw/zinc/23/43/47/505234347.db2.gz ZBLDFPRGSCSMQL-UHFFFAOYSA-N -1 1 359.432 3.172 20 30 FGEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000555530694 505448309 /nfs/dbraw/zinc/44/83/09/505448309.db2.gz MBMGROBIZJXKSK-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1 ZINC000589165285 506465538 /nfs/dbraw/zinc/46/55/38/506465538.db2.gz MKZQFCPNNVZFCL-UHFFFAOYSA-N -1 1 356.451 3.349 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nccn2Cc2ccccc2Cl)c1 ZINC000589181396 506472945 /nfs/dbraw/zinc/47/29/45/506472945.db2.gz UWBJBLGRXPZZMB-UHFFFAOYSA-N -1 1 352.781 3.414 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)ccc1Cl ZINC000603972561 506676577 /nfs/dbraw/zinc/67/65/77/506676577.db2.gz HLKKBEMWFHOWRW-UHFFFAOYSA-N -1 1 372.736 3.334 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)cc1F ZINC000589976732 506692603 /nfs/dbraw/zinc/69/26/03/506692603.db2.gz UOYIETJPQKWXHN-UHFFFAOYSA-N -1 1 370.409 3.006 20 30 FGEDMM C=CC[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000600214341 506852373 /nfs/dbraw/zinc/85/23/73/506852373.db2.gz WJPUFDNZIOURNB-JTQLQIEISA-N -1 1 357.191 3.035 20 30 FGEDMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000610194141 507133947 /nfs/dbraw/zinc/13/39/47/507133947.db2.gz YQICOXFQFCAWMK-UHFFFAOYSA-N -1 1 372.446 3.118 20 30 FGEDMM CC(C)CCOc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(F)c1 ZINC000594463590 507142507 /nfs/dbraw/zinc/14/25/07/507142507.db2.gz HQACNNMHKUHNHC-UHFFFAOYSA-N -1 1 363.414 3.318 20 30 FGEDMM N#Cc1ccccc1N1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000600997798 507221344 /nfs/dbraw/zinc/22/13/44/507221344.db2.gz MQELVQDRBORBJI-UHFFFAOYSA-N -1 1 369.852 3.199 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 ZINC000614357820 507476500 /nfs/dbraw/zinc/47/65/00/507476500.db2.gz WDCCWEOICBJIPE-UHFFFAOYSA-N -1 1 357.797 3.006 20 30 FGEDMM Cc1cccc2[nH]c(C(C#N)C(=O)Cn3cc(C(=O)[O-])c4ccccc43)nc21 ZINC000738747582 600519656 /nfs/dbraw/zinc/51/96/56/600519656.db2.gz XCEYAAVFHZSBAJ-CQSZACIVSA-N -1 1 372.384 3.401 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)Cn3cc(C(=O)[O-])c4ccccc43)[nH]c21 ZINC000738747582 600519657 /nfs/dbraw/zinc/51/96/57/600519657.db2.gz XCEYAAVFHZSBAJ-CQSZACIVSA-N -1 1 372.384 3.401 20 30 FGEDMM Cc1cccc2nc(C(C#N)C(=O)Cn3cc(C(=O)[O-])c4ccccc43)[nH]c21 ZINC000738747582 600519660 /nfs/dbraw/zinc/51/96/60/600519660.db2.gz XCEYAAVFHZSBAJ-CQSZACIVSA-N -1 1 372.384 3.401 20 30 FGEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000736811302 600571254 /nfs/dbraw/zinc/57/12/54/600571254.db2.gz XNTTXBRBTISTHH-CPUCHLNUSA-N -1 1 373.453 3.014 20 30 FGEDMM CCc1oc(C(=O)[O-])cc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000830369952 601417072 /nfs/dbraw/zinc/41/70/72/601417072.db2.gz VUFSYAXBDUYIQK-UHFFFAOYSA-N -1 1 354.406 3.455 20 30 FGEDMM COc1ccc([C@@H](NCc2ccc(C#N)cc2OC(F)F)C(=O)[O-])cc1 ZINC000832252814 601532323 /nfs/dbraw/zinc/53/23/23/601532323.db2.gz SLXVFMWRYNYGTP-MRXNPFEDSA-N -1 1 362.332 3.084 20 30 FGEDMM C[C@@H]1CC(NC(=O)c2ccccc2SCc2occc2C(=O)[O-])=NO1 ZINC000833601788 605234831 /nfs/dbraw/zinc/23/48/31/605234831.db2.gz WKSGRUDXLYDCNM-SNVBAGLBSA-N -1 1 360.391 3.122 20 30 FGEDMM C=CCn1c(=O)[nH]nc1S[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833380907 605262956 /nfs/dbraw/zinc/26/29/56/605262956.db2.gz SKZLEDNFSQJWNW-JTQLQIEISA-N -1 1 359.329 3.107 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC3(CCOCC3)CC2)o1 ZINC000820197209 606340365 /nfs/dbraw/zinc/34/03/65/606340365.db2.gz HJNBMOKAIJYBNH-UHFFFAOYSA-N -1 1 359.434 3.117 20 30 FGEDMM Clc1ccc(CNN=Cc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000822573968 606371022 /nfs/dbraw/zinc/37/10/22/606371022.db2.gz LWDDDTJIYAMARV-UHFFFAOYSA-N -1 1 353.238 3.359 20 30 FGEDMM CCc1nnc(Oc2ccc(C#N)cc2Cl)c(-c2nnn[n-]2)c1CC ZINC000821548689 606910701 /nfs/dbraw/zinc/91/07/01/606910701.db2.gz UCUWCTBAWKHPRY-UHFFFAOYSA-N -1 1 355.789 3.099 20 30 FGEDMM CCc1nnc(Oc2ccc(C#N)cc2Cl)c(-c2nn[n-]n2)c1CC ZINC000821548689 606910702 /nfs/dbraw/zinc/91/07/02/606910702.db2.gz UCUWCTBAWKHPRY-UHFFFAOYSA-N -1 1 355.789 3.099 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(-c3cccnc3)c2)o1 ZINC000820203897 607171084 /nfs/dbraw/zinc/17/10/84/607171084.db2.gz YZFNIVBCKRXALF-UHFFFAOYSA-N -1 1 374.408 3.486 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3c(C(C)C)cccc32)o1 ZINC000822422837 607171266 /nfs/dbraw/zinc/17/12/66/607171266.db2.gz DJNBFRYFJGXNNI-UHFFFAOYSA-N -1 1 367.413 3.275 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cc2)c(-c2nnn[n-]2)s1 ZINC000824130915 607929103 /nfs/dbraw/zinc/92/91/03/607929103.db2.gz SBYIVHAOPBSTKM-UHFFFAOYSA-N -1 1 352.423 3.350 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)cc2)c(-c2nn[n-]n2)s1 ZINC000824130915 607929104 /nfs/dbraw/zinc/92/91/04/607929104.db2.gz SBYIVHAOPBSTKM-UHFFFAOYSA-N -1 1 352.423 3.350 20 30 FGEDMM C[C@@H](CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824384376 607930833 /nfs/dbraw/zinc/93/08/33/607930833.db2.gz BFZPWVCRKCNQTE-JTQLQIEISA-N -1 1 357.393 3.493 20 30 FGEDMM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402717 608094018 /nfs/dbraw/zinc/09/40/18/608094018.db2.gz AFRTWMFODUZZHP-NSCUHMNNSA-N -1 1 356.798 3.125 20 30 FGEDMM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402717 608094019 /nfs/dbraw/zinc/09/40/19/608094019.db2.gz AFRTWMFODUZZHP-NSCUHMNNSA-N -1 1 356.798 3.125 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)O[C@H](C)C#N)c2)cc1F ZINC000023417028 695661870 /nfs/dbraw/zinc/66/18/70/695661870.db2.gz IGPGBIQTELQJKN-GFCCVEGCSA-N -1 1 362.382 3.004 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Br)o2)cc1 ZINC000105758637 700504453 /nfs/dbraw/zinc/50/44/53/700504453.db2.gz INFMBPJHKFNJPF-NSHDSACASA-N -1 1 363.167 3.012 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000176015347 705567653 /nfs/dbraw/zinc/56/76/53/705567653.db2.gz ALWWDQSPKFSCEI-MRXNPFEDSA-N -1 1 358.419 3.255 20 30 FGEDMM N#Cc1ccc(C=C([O-])Nc2nc(-c3cccc(Cl)c3)ns2)cc1 ZINC000522918305 714212653 /nfs/dbraw/zinc/21/26/53/714212653.db2.gz NALBSOXITSTBOU-UHFFFAOYSA-N -1 1 354.822 3.333 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1OC(C)C ZINC000619463893 714839183 /nfs/dbraw/zinc/83/91/83/714839183.db2.gz TYKMHSUHZIWSCI-UHFFFAOYSA-N -1 1 360.435 3.349 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000662218460 720395559 /nfs/dbraw/zinc/39/55/59/720395559.db2.gz NUEGBTHNNCUIMM-OAHLLOKOSA-N -1 1 364.511 3.228 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000782887650 724706382 /nfs/dbraw/zinc/70/63/82/724706382.db2.gz OSANHUACWJCVAH-FZSIALSZSA-N -1 1 357.728 3.382 20 30 FGEDMM CCC(Cc1cccs1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000730946744 722472008 /nfs/dbraw/zinc/47/20/08/722472008.db2.gz LJOKWMSZUFFTPM-UHFFFAOYSA-N -1 1 367.452 3.084 20 30 FGEDMM O=C([O-])COc1cccc(CN=Nc2ccc(Br)cc2F)c1 ZINC000733204276 722493896 /nfs/dbraw/zinc/49/38/96/722493896.db2.gz LOTWWKKUUZCOQH-UHFFFAOYSA-N -1 1 367.174 3.498 20 30 FGEDMM Cc1n[n-]cc1S(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000734153652 722504725 /nfs/dbraw/zinc/50/47/25/722504725.db2.gz MMCXBZVXZVXMIE-GFCCVEGCSA-N -1 1 368.764 3.250 20 30 FGEDMM C#CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccccc1 ZINC000756973426 722972674 /nfs/dbraw/zinc/97/26/74/722972674.db2.gz BHPOYEGWUPHZGP-MRXNPFEDSA-N -1 1 351.374 3.016 20 30 FGEDMM C#CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000756974626 722972799 /nfs/dbraw/zinc/97/27/99/722972799.db2.gz GICSPWXOSAVVDB-AWEZNQCLSA-N -1 1 364.810 3.291 20 30 FGEDMM COc1cccc(-c2nc(C=NNc3ccc(C(=O)[O-])cn3)cs2)c1 ZINC000763369730 723337953 /nfs/dbraw/zinc/33/79/53/723337953.db2.gz WXIBWTWGUZMGRY-UHFFFAOYSA-N -1 1 354.391 3.358 20 30 FGEDMM N#Cc1cc(F)ccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765299217 723503887 /nfs/dbraw/zinc/50/38/87/723503887.db2.gz ALPLPEVVVXDGTF-UHFFFAOYSA-N -1 1 364.174 3.487 20 30 FGEDMM CC[C@@H]1C[C@@H](C)CCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000769573313 723690094 /nfs/dbraw/zinc/69/00/94/723690094.db2.gz BRBTXBNUXTULDZ-GXTWGEPZSA-N -1 1 353.444 3.216 20 30 FGEDMM O=[N+]([O-])c1cc(NN=Cc2cc(O)c([O-])c(Br)c2)ccc1F ZINC000769822927 723696922 /nfs/dbraw/zinc/69/69/22/723696922.db2.gz POWWOOHZNRNNPJ-UHFFFAOYSA-N -1 1 370.134 3.354 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]nc1C1CC1 ZINC000800043621 724134384 /nfs/dbraw/zinc/13/43/84/724134384.db2.gz XEJIXQVDSQPVHQ-UHFFFAOYSA-N -1 1 370.356 3.287 20 30 FGEDMM N#CC1(CCCOC(=O)c2ccc(Br)c([O-])c2)CCOCC1 ZINC000800185790 724162237 /nfs/dbraw/zinc/16/22/37/724162237.db2.gz BJTIAMJDQMQCHT-UHFFFAOYSA-N -1 1 368.227 3.412 20 30 FGEDMM CC#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000785491472 724916847 /nfs/dbraw/zinc/91/68/47/724916847.db2.gz MEBWFSWKSBEZQL-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM CCCCCCCCc1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000788276087 725054323 /nfs/dbraw/zinc/05/43/23/725054323.db2.gz KSMZNJWKYFXKQT-UHFFFAOYSA-N -1 1 352.420 3.325 20 30 FGEDMM COCc1nc(Cl)cc(N=NCc2cccc(Br)c2[O-])n1 ZINC000814976509 727015510 /nfs/dbraw/zinc/01/55/10/727015510.db2.gz ALKLSOARAVYLJV-UHFFFAOYSA-N -1 1 371.622 3.191 20 30 FGEDMM C=CCn1cc(CN[C@H](C)c2cc(Br)cc(Cl)c2[O-])nn1 ZINC000818346540 727308845 /nfs/dbraw/zinc/30/88/45/727308845.db2.gz MLVOSJHWRYYZJW-SECBINFHSA-N -1 1 371.666 3.436 20 30 FGEDMM C[C@H]1OCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1C ZINC000844579363 730737359 /nfs/dbraw/zinc/73/73/59/730737359.db2.gz BHBLOLYUNBYJHK-ZIAGYGMSSA-N -1 1 359.451 3.310 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1ccnn1CC1CC1 ZINC000853280104 731690805 /nfs/dbraw/zinc/69/08/05/731690805.db2.gz DTTJAPKQPQTYQB-UHFFFAOYSA-N -1 1 370.507 3.348 20 30 FGEDMM N#CCc1cccc2c1CCN(C(=O)NCc1ccc([O-])c(Cl)c1)C2 ZINC000876399599 736090661 /nfs/dbraw/zinc/09/06/61/736090661.db2.gz QNKMMPFGEGDGGV-UHFFFAOYSA-N -1 1 355.825 3.380 20 30 FGEDMM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1nc2ccccc2[nH]1 ZINC000892420050 739999169 /nfs/dbraw/zinc/99/91/69/739999169.db2.gz LTAZXRSLFCDOSI-GFCCVEGCSA-N -1 1 351.435 3.500 20 30 FGEDMM N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)nc1 ZINC000928717896 760245256 /nfs/dbraw/zinc/24/52/56/760245256.db2.gz TXMIHVZRAMJAKU-AWEZNQCLSA-N -1 1 356.813 3.029 20 30 FGEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000577096879 505663482 /nfs/dbraw/zinc/66/34/82/505663482.db2.gz VZUFJXBZUDMPOK-ZDUSSCGKSA-N -1 1 368.352 3.331 20 30 FGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000049487742 493874946 /nfs/dbraw/zinc/87/49/46/493874946.db2.gz XXFFDVHIHYZLKN-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1 ZINC000072035762 494119083 /nfs/dbraw/zinc/11/90/83/494119083.db2.gz MOGLHFKDNDFPNO-QGZVFWFLSA-N -1 1 368.418 3.087 20 30 FGEDMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc(-c2ccccc2F)on1 ZINC000053527118 494142661 /nfs/dbraw/zinc/14/26/61/494142661.db2.gz DNWFIKZGNLQETO-UHFFFAOYSA-N -1 1 350.313 3.297 20 30 FGEDMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2nc1C1CC1 ZINC000089642366 494337176 /nfs/dbraw/zinc/33/71/76/494337176.db2.gz DHNLLRPCBDWUOU-UHFFFAOYSA-N -1 1 352.419 3.123 20 30 FGEDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055547484 494358931 /nfs/dbraw/zinc/35/89/31/494358931.db2.gz ZOHQQAGKFATPGA-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)ccc1Cl ZINC000055585558 494366697 /nfs/dbraw/zinc/36/66/97/494366697.db2.gz YGPAAFIDGKOLBR-UHFFFAOYSA-N -1 1 372.837 3.257 20 30 FGEDMM N#Cc1ccc(CN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000017843265 494418330 /nfs/dbraw/zinc/41/83/30/494418330.db2.gz UWESIVIYCRSSOK-UHFFFAOYSA-N -1 1 371.440 3.375 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OCC)c(OC)c2)n1 ZINC000067894879 494685498 /nfs/dbraw/zinc/68/54/98/494685498.db2.gz FOHOAICYGDOCFP-LBPRGKRZSA-N -1 1 374.418 3.217 20 30 FGEDMM C=CCCO[C@@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109251747 494851353 /nfs/dbraw/zinc/85/13/53/494851353.db2.gz JOSLABMKGVFEEL-HNNXBMFYSA-N -1 1 374.462 3.407 20 30 FGEDMM N#Cc1cc(F)c(C(=O)[N-]c2ccccc2SCCC(N)=O)c(F)c1 ZINC000132404778 494869267 /nfs/dbraw/zinc/86/92/67/494869267.db2.gz OIKAMLNXNCEICS-UHFFFAOYSA-N -1 1 361.373 3.056 20 30 FGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000122146673 494931658 /nfs/dbraw/zinc/93/16/58/494931658.db2.gz VGPRRWXSHYNQCD-KRWDZBQOSA-N -1 1 371.462 3.155 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1C(F)(F)F ZINC000128636321 495127754 /nfs/dbraw/zinc/12/77/54/495127754.db2.gz GRTSLKJIVZXGHJ-UHFFFAOYSA-N -1 1 361.732 3.426 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1 ZINC000135332072 495278794 /nfs/dbraw/zinc/27/87/94/495278794.db2.gz VHMCQXZZZMHAMP-UHFFFAOYSA-N -1 1 372.446 3.164 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000114673632 495407424 /nfs/dbraw/zinc/40/74/24/495407424.db2.gz PYZHXLGKLDKUHF-UHFFFAOYSA-N -1 1 355.419 3.350 20 30 FGEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc21 ZINC000179888037 495771257 /nfs/dbraw/zinc/77/12/57/495771257.db2.gz WBNFCOSSCJHHLP-UHFFFAOYSA-N -1 1 369.446 3.269 20 30 FGEDMM N#C[C@@H](C(=O)Nc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155672182 496031081 /nfs/dbraw/zinc/03/10/81/496031081.db2.gz UOZKMQWJVFDFIO-CYBMUJFWSA-N -1 1 364.430 3.109 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)ccc1Cl ZINC000161203808 496126946 /nfs/dbraw/zinc/12/69/46/496126946.db2.gz XNOWLXGPSFROHO-UHFFFAOYSA-N -1 1 354.790 3.361 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000172589993 496355134 /nfs/dbraw/zinc/35/51/34/496355134.db2.gz UVGLHLNFLKVXDB-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCc3c(Br)cccc3C2)cc1[O-] ZINC000187815692 496581620 /nfs/dbraw/zinc/58/16/20/496581620.db2.gz DVJJJBQCYOALSG-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)o1 ZINC000184921140 496585117 /nfs/dbraw/zinc/58/51/17/496585117.db2.gz KWFRNMQAOYXMBC-AWEZNQCLSA-N -1 1 368.842 3.033 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1OC(C)C ZINC000184974840 496607250 /nfs/dbraw/zinc/60/72/50/496607250.db2.gz MSVRETGNMLILMU-UHFFFAOYSA-N -1 1 360.435 3.463 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@@H](C)CC#N)cc2)cc1 ZINC000264127853 496818793 /nfs/dbraw/zinc/81/87/93/496818793.db2.gz YGSYLJYCVIPOCD-HNNXBMFYSA-N -1 1 371.462 3.170 20 30 FGEDMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188598384 496846372 /nfs/dbraw/zinc/84/63/72/496846372.db2.gz GRFXBFMUNVATJW-AZUAARDMSA-N -1 1 350.418 3.470 20 30 FGEDMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190038839 497334876 /nfs/dbraw/zinc/33/48/76/497334876.db2.gz LBQZUUBPFCYBEM-UHFFFAOYSA-N -1 1 350.296 3.435 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000193362336 497361252 /nfs/dbraw/zinc/36/12/52/497361252.db2.gz ZFYGWVXRFRSITJ-UHFFFAOYSA-N -1 1 363.398 3.272 20 30 FGEDMM CCCCOc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000190553376 497526942 /nfs/dbraw/zinc/52/69/42/497526942.db2.gz JBCRYKYQWNJRRQ-UHFFFAOYSA-N -1 1 354.406 3.381 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000280039681 497628048 /nfs/dbraw/zinc/62/80/48/497628048.db2.gz WZQIQJBVAKPPAV-GOSISDBHSA-N -1 1 372.446 3.111 20 30 FGEDMM N#CC(=C([O-])c1ccc(OCC(F)(F)F)nc1)c1cnc2ccccc2n1 ZINC000191000175 497678626 /nfs/dbraw/zinc/67/86/26/497678626.db2.gz TXDIZXFHZYIRKJ-LBPRGKRZSA-N -1 1 372.306 3.456 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)CC#N)c1 ZINC000194653020 497731425 /nfs/dbraw/zinc/73/14/25/497731425.db2.gz JDANUWPQJGBARG-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM N#Cc1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3[O-])CC2)nc1 ZINC000365118678 498305127 /nfs/dbraw/zinc/30/51/27/498305127.db2.gz BETSLYRSMNTMEX-UHFFFAOYSA-N -1 1 372.428 3.211 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000290564413 498600499 /nfs/dbraw/zinc/60/04/99/498600499.db2.gz SLLIAICQMYEVIH-UHFFFAOYSA-N -1 1 360.435 3.298 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1Cl ZINC000326349972 498842481 /nfs/dbraw/zinc/84/24/81/498842481.db2.gz OFXJFJLKQQIWQT-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)[C@H]1C[C@@H]1C ZINC000295186763 498936563 /nfs/dbraw/zinc/93/65/63/498936563.db2.gz KAFQZNNQOXQOBY-DJJJIMSYSA-N -1 1 369.446 3.120 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)o1 ZINC000367776737 499232889 /nfs/dbraw/zinc/23/28/89/499232889.db2.gz OMAWYTOPPTVHBY-QGZVFWFLSA-N -1 1 373.821 3.268 20 30 FGEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000410415815 499661454 /nfs/dbraw/zinc/66/14/54/499661454.db2.gz FCVKSEXDUBXQPL-UHFFFAOYSA-N -1 1 352.419 3.068 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)C[C@@H](C)C2 ZINC000411007885 499689997 /nfs/dbraw/zinc/68/99/97/499689997.db2.gz HGTIJONFRKPFPK-ZJUUUORDSA-N -1 1 372.450 3.365 20 30 FGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416346578 500022748 /nfs/dbraw/zinc/02/27/48/500022748.db2.gz ZAVHAYIWKIJNGA-MRXNPFEDSA-N -1 1 364.449 3.467 20 30 FGEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444362473 500839849 /nfs/dbraw/zinc/83/98/49/500839849.db2.gz GIPRYXSZEYYEIU-AWEZNQCLSA-N -1 1 360.454 3.374 20 30 FGEDMM C=CCN(C(=O)c1ccc([O-])cc1F)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444373698 500841724 /nfs/dbraw/zinc/84/17/24/500841724.db2.gz WQRBQCKAAHEIMU-LJQANCHMSA-N -1 1 371.408 3.334 20 30 FGEDMM C=CCN(C(=O)c1cc(F)ccc1[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC000444379240 500842304 /nfs/dbraw/zinc/84/23/04/500842304.db2.gz DQSHUTRADBXOSC-GOSISDBHSA-N -1 1 371.408 3.334 20 30 FGEDMM C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000446599222 501140266 /nfs/dbraw/zinc/14/02/66/501140266.db2.gz JGYABHKWANDSJS-OAHLLOKOSA-N -1 1 372.428 3.163 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)C(C)C)c2)c1 ZINC000468140711 501970605 /nfs/dbraw/zinc/97/06/05/501970605.db2.gz UAXPIAZDIXBKMO-SFHVURJKSA-N -1 1 371.462 3.074 20 30 FGEDMM C=CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000468400757 502046344 /nfs/dbraw/zinc/04/63/44/502046344.db2.gz ZNIUCTZLMFEIEY-UHFFFAOYSA-N -1 1 358.463 3.492 20 30 FGEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc12 ZINC000461337583 502075490 /nfs/dbraw/zinc/07/54/90/502075490.db2.gz DHRAOFKXOPGUPI-UHFFFAOYSA-N -1 1 360.826 3.208 20 30 FGEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471612874 502087820 /nfs/dbraw/zinc/08/78/20/502087820.db2.gz HIBLOAGMWNAQGX-SSDOTTSWSA-N -1 1 356.644 3.485 20 30 FGEDMM CC[C@@](C)(C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000487538447 502472297 /nfs/dbraw/zinc/47/22/97/502472297.db2.gz FMMDCYPLKZQLEF-ZDUSSCGKSA-N -1 1 353.245 3.201 20 30 FGEDMM C=C(C)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000490088644 503106776 /nfs/dbraw/zinc/10/67/76/503106776.db2.gz IMHLVAHKXASZQX-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM CC#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000498610254 503225372 /nfs/dbraw/zinc/22/53/72/503225372.db2.gz LDZFCLQOQQLWQH-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000508082784 503426794 /nfs/dbraw/zinc/42/67/94/503426794.db2.gz ICNYNUGNFBUQPB-GFCCVEGCSA-N -1 1 371.673 3.244 20 30 FGEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000508092741 503429383 /nfs/dbraw/zinc/42/93/83/503429383.db2.gz FHCVYRGJIAWECV-SNVBAGLBSA-N -1 1 359.325 3.369 20 30 FGEDMM Cc1cc(N=C([O-])Nc2ncc(-c3ccccc3)s2)nn1CCC#N ZINC000504664881 503603192 /nfs/dbraw/zinc/60/31/92/503603192.db2.gz CCUSYGBPIOUKLR-UHFFFAOYSA-N -1 1 352.423 3.295 20 30 FGEDMM Cc1nc(SCC(=O)Nc2ccccc2SCC#N)[n-]c(=O)c1C ZINC000537414703 503907626 /nfs/dbraw/zinc/90/76/26/503907626.db2.gz ROADFBOVOKFQQU-UHFFFAOYSA-N -1 1 360.464 3.146 20 30 FGEDMM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000544872071 504286357 /nfs/dbraw/zinc/28/63/57/504286357.db2.gz PUTPDSDYGANUBS-LBPRGKRZSA-N -1 1 357.364 3.142 20 30 FGEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000545147442 504375089 /nfs/dbraw/zinc/37/50/89/504375089.db2.gz VVKCILZZXVRKCC-UHFFFAOYSA-N -1 1 356.234 3.396 20 30 FGEDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000542753945 504596518 /nfs/dbraw/zinc/59/65/18/504596518.db2.gz HCBIHHHGIQJBDX-NSHDSACASA-N -1 1 354.781 3.467 20 30 FGEDMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000553722618 504991006 /nfs/dbraw/zinc/99/10/06/504991006.db2.gz MXGPWZGEOCVWJI-XFQXTVEOSA-N -1 1 350.418 3.345 20 30 FGEDMM C[C@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563244574 505086679 /nfs/dbraw/zinc/08/66/79/505086679.db2.gz BZUIKJSODOCOEB-SECBINFHSA-N -1 1 359.234 3.368 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)o1 ZINC000561518485 505366389 /nfs/dbraw/zinc/36/63/89/505366389.db2.gz DGSGJVLPFVORCM-UHFFFAOYSA-N -1 1 350.465 3.393 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c1 ZINC000589175200 506470866 /nfs/dbraw/zinc/47/08/66/506470866.db2.gz GFNONCMGVYJPNJ-HOTGVXAUSA-N -1 1 357.207 3.312 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccnc(OC3CCCCC3)c2)c1 ZINC000589175045 506471343 /nfs/dbraw/zinc/47/13/43/506471343.db2.gz BRKFTWOLXVQSIX-UHFFFAOYSA-N -1 1 351.406 3.300 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 ZINC000589194390 506476720 /nfs/dbraw/zinc/47/67/20/506476720.db2.gz KJBUROFBMMMJBV-UHFFFAOYSA-N -1 1 356.385 3.431 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000589196587 506480427 /nfs/dbraw/zinc/48/04/27/506480427.db2.gz QSMABKFNAZRBFT-QGZVFWFLSA-N -1 1 374.343 3.079 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1[O-] ZINC000589530687 506579385 /nfs/dbraw/zinc/57/93/85/506579385.db2.gz WEPOUKFACJYHNH-HNNXBMFYSA-N -1 1 352.394 3.282 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1nc(C(F)(F)F)cs1 ZINC000593587155 506694078 /nfs/dbraw/zinc/69/40/78/506694078.db2.gz UOLMTWUYUXNXGD-LURJTMIESA-N -1 1 367.399 3.135 20 30 FGEDMM C=CC[C@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000600213344 506851239 /nfs/dbraw/zinc/85/12/39/506851239.db2.gz UQXKENDRYIWJKX-JTQLQIEISA-N -1 1 357.191 3.035 20 30 FGEDMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2[nH]c1=O ZINC000590597802 506873709 /nfs/dbraw/zinc/87/37/09/506873709.db2.gz XTAPLCRVUUQNHI-UHFFFAOYSA-N -1 1 373.821 3.162 20 30 FGEDMM CSc1nc(C)c(CCC(=O)Nc2sc(C)c(C)c2C#N)c(=O)[n-]1 ZINC000590613282 506881474 /nfs/dbraw/zinc/88/14/74/506881474.db2.gz FWOBYSARMSSFQH-UHFFFAOYSA-N -1 1 362.480 3.334 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000600663977 507054391 /nfs/dbraw/zinc/05/43/91/507054391.db2.gz QYLNNPUNUAXREC-UHFFFAOYSA-N -1 1 374.462 3.444 20 30 FGEDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000597693657 507063409 /nfs/dbraw/zinc/06/34/09/507063409.db2.gz PQUYARIMHKSEOG-UHFFFAOYSA-N -1 1 364.409 3.070 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000610123156 507107177 /nfs/dbraw/zinc/10/71/77/507107177.db2.gz LOLXFEDCRDTTBU-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)c1cccc(C#N)c1 ZINC000601362445 507344203 /nfs/dbraw/zinc/34/42/03/507344203.db2.gz VVWGUBYWAHFAGQ-SECBINFHSA-N -1 1 351.815 3.117 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(N3CCCC3)c2)n1 ZINC000595241407 507436876 /nfs/dbraw/zinc/43/68/76/507436876.db2.gz XEHQTGAVJRVNMS-HNNXBMFYSA-N -1 1 369.446 3.410 20 30 FGEDMM Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614298412 507445722 /nfs/dbraw/zinc/44/57/22/507445722.db2.gz MQIQMLCJCTXOKW-AWEZNQCLSA-N -1 1 369.852 3.482 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000592351089 507614094 /nfs/dbraw/zinc/61/40/94/507614094.db2.gz SPUYXMSSVKNKPZ-IUODEOHRSA-N -1 1 354.497 3.105 20 30 FGEDMM COc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000586755089 507659869 /nfs/dbraw/zinc/65/98/69/507659869.db2.gz TXSLZWVNRDYUFH-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)c1 ZINC000587384128 507709178 /nfs/dbraw/zinc/70/91/78/507709178.db2.gz UPOYYYARVBNMOM-UHFFFAOYSA-N -1 1 356.353 3.213 20 30 FGEDMM COc1cccc(F)c1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000737132823 599149119 /nfs/dbraw/zinc/14/91/19/599149119.db2.gz RIWJXHBZJSXFTO-UHFFFAOYSA-N -1 1 373.392 3.136 20 30 FGEDMM N#CC(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000833063638 601237063 /nfs/dbraw/zinc/23/70/63/601237063.db2.gz KOPYBHOBXFCHCI-IJLUTSLNSA-N -1 1 361.348 3.499 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2cccc(NC(=O)C3CCC3)c2)C(=O)[O-])c1 ZINC000833076625 601300071 /nfs/dbraw/zinc/30/00/71/601300071.db2.gz XMGQSXXZFVICSN-LJQANCHMSA-N -1 1 363.417 3.212 20 30 FGEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000179026016 604398687 /nfs/dbraw/zinc/39/86/87/604398687.db2.gz UQHIPQIODKACHJ-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM C=C(C)COc1cc(CN2CCSC[C@H]2CC(=O)[O-])ccc1OC ZINC000833369045 604659681 /nfs/dbraw/zinc/65/96/81/604659681.db2.gz AGQBOYJCXYKFQS-OAHLLOKOSA-N -1 1 351.468 3.042 20 30 FGEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1ccc(N2CCOCC2)cc1Cl ZINC000763371929 604669199 /nfs/dbraw/zinc/66/91/99/604669199.db2.gz MRVIIYINMMXBFC-UHFFFAOYSA-N -1 1 374.828 3.106 20 30 FGEDMM C#CC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccccc1 ZINC000833360189 605134393 /nfs/dbraw/zinc/13/43/93/605134393.db2.gz GAPYRYSGDWDRLW-OAHLLOKOSA-N -1 1 356.447 3.356 20 30 FGEDMM C=CCc1cc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc(OC)c1O ZINC000833380076 605545195 /nfs/dbraw/zinc/54/51/95/605545195.db2.gz TYXFFVYXIJRWKC-UHFFFAOYSA-N -1 1 353.418 3.386 20 30 FGEDMM C=CCc1cc(CN2CCc3ccc(C(=O)[O-])cc3C2)cc(OC)c1O ZINC000833380076 605545199 /nfs/dbraw/zinc/54/51/99/605545199.db2.gz TYXFFVYXIJRWKC-UHFFFAOYSA-N -1 1 353.418 3.386 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3c(s2)CCC3)o1 ZINC000819782998 606988199 /nfs/dbraw/zinc/98/81/99/606988199.db2.gz SHHXLGKWMVSPIR-UHFFFAOYSA-N -1 1 357.443 3.364 20 30 FGEDMM CC(=NNC(=S)Nc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953592 608091574 /nfs/dbraw/zinc/09/15/74/608091574.db2.gz IKQDHNOZLYVHGQ-UHFFFAOYSA-N -1 1 371.495 3.256 20 30 FGEDMM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000823932377 608093063 /nfs/dbraw/zinc/09/30/63/608093063.db2.gz VWXKPTSZNPALOS-XQRVVYSFSA-N -1 1 368.418 3.398 20 30 FGEDMM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000823932377 608093064 /nfs/dbraw/zinc/09/30/64/608093064.db2.gz VWXKPTSZNPALOS-XQRVVYSFSA-N -1 1 368.418 3.398 20 30 FGEDMM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958673 608094786 /nfs/dbraw/zinc/09/47/86/608094786.db2.gz UXNRTYWEBQAKCD-UHFFFAOYSA-N -1 1 350.354 3.366 20 30 FGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccccc1N(C)C ZINC000823962419 608749111 /nfs/dbraw/zinc/74/91/11/608749111.db2.gz KHLIZOYRUHSQGZ-UHFFFAOYSA-N -1 1 368.445 3.054 20 30 FGEDMM Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000046707256 695845460 /nfs/dbraw/zinc/84/54/60/695845460.db2.gz LMSSWWZAXJUGFX-NSHDSACASA-N -1 1 353.403 3.255 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)nc1 ZINC000110121929 700538666 /nfs/dbraw/zinc/53/86/66/700538666.db2.gz WWHBBNIVDNZZKE-VOTSOKGWSA-N -1 1 364.224 3.128 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000122680760 700694108 /nfs/dbraw/zinc/69/41/08/700694108.db2.gz FCIYFCQYXZVMNT-HNNXBMFYSA-N -1 1 362.382 3.085 20 30 FGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cncc(F)c1 ZINC000151615240 704930385 /nfs/dbraw/zinc/93/03/85/704930385.db2.gz DZLRVHQXLSHXIR-LLVKDONJSA-N -1 1 352.152 3.489 20 30 FGEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C#N)c2)c1Cl ZINC000156264132 705108542 /nfs/dbraw/zinc/10/85/42/705108542.db2.gz FFUOOCJCNVFYAL-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)o1 ZINC000255102637 713683930 /nfs/dbraw/zinc/68/39/30/713683930.db2.gz CVIVMARDPGBMMR-XBPVQUQDSA-N -1 1 356.708 3.170 20 30 FGEDMM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000619420840 714834338 /nfs/dbraw/zinc/83/43/38/714834338.db2.gz YHYWYRZEYVHBIB-UHFFFAOYSA-N -1 1 354.366 3.482 20 30 FGEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000619462137 714838906 /nfs/dbraw/zinc/83/89/06/714838906.db2.gz GXWJYBCPQGNZQH-UHFFFAOYSA-N -1 1 357.435 3.129 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Cn3ccnn3)c2)n1 ZINC000659114571 719859622 /nfs/dbraw/zinc/85/96/22/719859622.db2.gz FMPCUMXLEFVEIV-OAHLLOKOSA-N -1 1 351.435 3.396 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(Cn3ccnn3)c2)n1 ZINC000659114563 719859915 /nfs/dbraw/zinc/85/99/15/719859915.db2.gz FMPCUMXLEFVEIV-HNNXBMFYSA-N -1 1 351.435 3.396 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC000783836868 724794931 /nfs/dbraw/zinc/79/49/31/724794931.db2.gz DPILBMHCJJCLJM-UHFFFAOYSA-N -1 1 353.444 3.361 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000727360799 722443829 /nfs/dbraw/zinc/44/38/29/722443829.db2.gz CPKBYMDHRBHTRK-UHFFFAOYSA-N -1 1 359.403 3.113 20 30 FGEDMM CCc1cc2c(COC(=O)c3sccc3C#N)cc(=O)oc2cc1[O-] ZINC000728339459 722451341 /nfs/dbraw/zinc/45/13/41/722451341.db2.gz AGAHKPVEJYYBJA-UHFFFAOYSA-N -1 1 355.371 3.351 20 30 FGEDMM CCC(Cc1ccc(Cl)cc1Cl)N=Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC000731154972 722473626 /nfs/dbraw/zinc/47/36/26/722473626.db2.gz MAULSFOQPNHQBN-UHFFFAOYSA-N -1 1 365.224 3.159 20 30 FGEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)o1 ZINC000743259903 722565237 /nfs/dbraw/zinc/56/52/37/722565237.db2.gz PKTYIKNAODWVOD-UHFFFAOYSA-N -1 1 374.809 3.371 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CC(c3cccc(Cl)c3)C2)c2ccccc21 ZINC000753924749 722918655 /nfs/dbraw/zinc/91/86/55/722918655.db2.gz UNOFYRZFQPTVBJ-UHFFFAOYSA-N -1 1 359.838 3.312 20 30 FGEDMM Cn1nc(C(F)(F)F)c(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c1Cl ZINC000758929139 722996934 /nfs/dbraw/zinc/99/69/34/722996934.db2.gz AWUQSWSALSJWGE-HWKANZROSA-N -1 1 374.702 3.392 20 30 FGEDMM N#Cc1ccc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000760722393 723086938 /nfs/dbraw/zinc/08/69/38/723086938.db2.gz QAIUQEXHUMCIJJ-HNNXBMFYSA-N -1 1 365.216 3.424 20 30 FGEDMM C#CCCc1noc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000762016217 723206953 /nfs/dbraw/zinc/20/69/53/723206953.db2.gz IMDVWSDDXMZZOW-UHFFFAOYSA-N -1 1 353.403 3.103 20 30 FGEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(Cl)c1F ZINC000763406039 723341142 /nfs/dbraw/zinc/34/11/42/723341142.db2.gz JIEVGQWOAXXYSA-UHFFFAOYSA-N -1 1 365.817 3.332 20 30 FGEDMM CC#CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000763899381 723377522 /nfs/dbraw/zinc/37/75/22/723377522.db2.gz CWYUJVSKZCZKOZ-UHFFFAOYSA-N -1 1 362.838 3.411 20 30 FGEDMM C=CCOc1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765737298 723536592 /nfs/dbraw/zinc/53/65/92/723536592.db2.gz USNDDCRQZJEYSV-UHFFFAOYSA-N -1 1 363.211 3.045 20 30 FGEDMM O=C(/C=C/c1ncc(I)s1)c1cc(O)ccc1[O-] ZINC000794702295 723541695 /nfs/dbraw/zinc/54/16/95/723541695.db2.gz OSPVCGVGPSIIEE-ONEGZZNKSA-N -1 1 373.171 3.055 20 30 FGEDMM CC(C)[C@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC000766434658 723573933 /nfs/dbraw/zinc/57/39/33/723573933.db2.gz PBCGDASTXDPQII-MRXNPFEDSA-N -1 1 353.447 3.273 20 30 FGEDMM C#C[C@H](CC)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000768062687 723645191 /nfs/dbraw/zinc/64/51/91/723645191.db2.gz NBLTXAWWKNLLPX-MRXNPFEDSA-N -1 1 361.394 3.195 20 30 FGEDMM CN1CCN(c2ccc(/C=C/C(=O)c3csc(C(=O)[O-])c3)cc2)CC1 ZINC000771528536 723737072 /nfs/dbraw/zinc/73/70/72/723737072.db2.gz YJGPCVBWXGFTRR-QPJJXVBHSA-N -1 1 356.447 3.094 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773565549 723800927 /nfs/dbraw/zinc/80/09/27/723800927.db2.gz JURWSOVQPPTSMT-LBPRGKRZSA-N -1 1 363.410 3.353 20 30 FGEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000797816761 723865665 /nfs/dbraw/zinc/86/56/65/723865665.db2.gz HJGMEOBEYIDKRQ-UHFFFAOYSA-N -1 1 359.407 3.154 20 30 FGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000776380449 724138695 /nfs/dbraw/zinc/13/86/95/724138695.db2.gz ZNEYIPPCBVVUNZ-MRXNPFEDSA-N -1 1 350.440 3.077 20 30 FGEDMM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000785518175 724918988 /nfs/dbraw/zinc/91/89/88/724918988.db2.gz PQPZSHVEEKBLLY-UHFFFAOYSA-N -1 1 363.822 3.239 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)(C)C ZINC000805147255 725053059 /nfs/dbraw/zinc/05/30/59/725053059.db2.gz UWSFKMJLGQOPJQ-LLVKDONJSA-N -1 1 353.337 3.051 20 30 FGEDMM O=C(/C=C\c1cn2ccc(Br)cc2n1)c1cc(O)ccc1[O-] ZINC000811693153 725376893 /nfs/dbraw/zinc/37/68/93/725376893.db2.gz KOSHLQAQPWRNFF-IWQZZHSRSA-N -1 1 359.179 3.404 20 30 FGEDMM CCOCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000835063735 729854762 /nfs/dbraw/zinc/85/47/62/729854762.db2.gz QCWUREJAMFTPHE-CQSZACIVSA-N -1 1 357.435 3.258 20 30 FGEDMM C=CCCO[C@@H](C)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836948741 729981974 /nfs/dbraw/zinc/98/19/74/729981974.db2.gz DQHCMEZRYKNTKJ-LBPRGKRZSA-N -1 1 358.360 3.093 20 30 FGEDMM CC(=NNCCOCC(F)(F)F)c1ccc([O-])c(Br)c1 ZINC000844588411 730738747 /nfs/dbraw/zinc/73/87/47/730738747.db2.gz UENZTYPRBFZCTM-UHFFFAOYSA-N -1 1 355.154 3.047 20 30 FGEDMM Cc1cc(Br)cnc1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844602008 730740723 /nfs/dbraw/zinc/74/07/23/730740723.db2.gz IVHWLTIBKYTSRK-UHFFFAOYSA-N -1 1 372.226 3.277 20 30 FGEDMM CC(=NNC12CC(C1)C2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000863123434 732916520 /nfs/dbraw/zinc/91/65/20/732916520.db2.gz SFNMIGPQKONERB-UHFFFAOYSA-N -1 1 355.463 3.354 20 30 FGEDMM C=C(Cl)C[C@H](NCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC000864518046 733071378 /nfs/dbraw/zinc/07/13/78/733071378.db2.gz ATPCKIHGNSFLTG-AWEZNQCLSA-N -1 1 352.843 3.408 20 30 FGEDMM C=C(C)C[C@H](NCc1csc(COc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000864530413 733073815 /nfs/dbraw/zinc/07/38/15/733073815.db2.gz XUXCGKVCYITQPX-INIZCTEOSA-N -1 1 362.451 3.240 20 30 FGEDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC000872006978 735573394 /nfs/dbraw/zinc/57/33/94/735573394.db2.gz DTEMJBYKWSJBBT-UHFFFAOYSA-N -1 1 354.382 3.032 20 30 FGEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000901673833 743615002 /nfs/dbraw/zinc/61/50/02/743615002.db2.gz JBRPFINAAHNCCI-QGZVFWFLSA-N -1 1 356.447 3.447 20 30 FGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccnn2CC2CCC2)c1 ZINC000901896755 743671090 /nfs/dbraw/zinc/67/10/90/743671090.db2.gz OUSSEBDXOZAMKX-UHFFFAOYSA-N -1 1 350.831 3.009 20 30 FGEDMM CCn1c(C2CCN(C(=O)C=Cc3ccccc3C#N)CC2)n[n-]c1=S ZINC000068452908 493823525 /nfs/dbraw/zinc/82/35/25/493823525.db2.gz NWUAPQXVSFHGPL-BQYQJAHWSA-N -1 1 367.478 3.252 20 30 FGEDMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000031776663 493960075 /nfs/dbraw/zinc/96/00/75/493960075.db2.gz FAIORLTZEJLODY-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@@H](C)C#N)c2)c1 ZINC000053077695 494090677 /nfs/dbraw/zinc/09/06/77/494090677.db2.gz DWKCAAMYEXDZKV-HNNXBMFYSA-N -1 1 371.462 3.028 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000041521250 494166334 /nfs/dbraw/zinc/16/63/34/494166334.db2.gz KPXMYMVNXUHKDX-LBPRGKRZSA-N -1 1 353.363 3.036 20 30 FGEDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000065223920 494180222 /nfs/dbraw/zinc/18/02/22/494180222.db2.gz LBJMTRNGNWASCH-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000055555542 494360493 /nfs/dbraw/zinc/36/04/93/494360493.db2.gz MNJCDYNIAAOGBR-UHFFFAOYSA-N -1 1 368.817 3.196 20 30 FGEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055588899 494367967 /nfs/dbraw/zinc/36/79/67/494367967.db2.gz IEBLJWXAHDEYIW-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccco1 ZINC000127574701 494963801 /nfs/dbraw/zinc/96/38/01/494963801.db2.gz JREZQVAJLKKFPT-LJQANCHMSA-N -1 1 368.414 3.228 20 30 FGEDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2ccccc21 ZINC000128247659 495067022 /nfs/dbraw/zinc/06/70/22/495067022.db2.gz VKPWYCATHZGUIA-HNNXBMFYSA-N -1 1 371.418 3.167 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000102351094 495131357 /nfs/dbraw/zinc/13/13/57/495131357.db2.gz NEGGHEZEKRXSDJ-MRXNPFEDSA-N -1 1 371.462 3.136 20 30 FGEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102879578 495168700 /nfs/dbraw/zinc/16/87/00/495168700.db2.gz XGXKQMDLTBNZCF-UHFFFAOYSA-N -1 1 361.398 3.101 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)c(F)c1 ZINC000135363900 495282428 /nfs/dbraw/zinc/28/24/28/495282428.db2.gz WUAKQLKWQLFIFC-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C#N)c2)c1 ZINC000179385658 495570947 /nfs/dbraw/zinc/57/09/47/495570947.db2.gz SZIPFACYUZMQKM-UHFFFAOYSA-N -1 1 362.345 3.065 20 30 FGEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc2[nH]1 ZINC000182500910 495587469 /nfs/dbraw/zinc/58/74/69/495587469.db2.gz DLOVYXXYVBLWQM-UHFFFAOYSA-N -1 1 367.430 3.071 20 30 FGEDMM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000182560958 495615871 /nfs/dbraw/zinc/61/58/71/495615871.db2.gz OFHGVXUFVVOYIT-HNNXBMFYSA-N -1 1 357.373 3.422 20 30 FGEDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000185555314 495619756 /nfs/dbraw/zinc/61/97/56/495619756.db2.gz MFYBXGHJOMBPNF-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM C=C(C)CN(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000182643538 495647347 /nfs/dbraw/zinc/64/73/47/495647347.db2.gz WCEFNVUJHKEOKD-UHFFFAOYSA-N -1 1 373.478 3.205 20 30 FGEDMM COc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1Br ZINC000176675170 495743731 /nfs/dbraw/zinc/74/37/31/495743731.db2.gz LFRJVNXWKHLVPY-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000174256003 495884086 /nfs/dbraw/zinc/88/40/86/495884086.db2.gz XZTVSISFXGLFFH-UHFFFAOYSA-N -1 1 351.378 3.459 20 30 FGEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1C ZINC000152766294 496249941 /nfs/dbraw/zinc/24/99/41/496249941.db2.gz YXTMONZUUDZXQQ-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(C)c(C)c3)nc(=O)c2c1C ZINC000153565949 496500431 /nfs/dbraw/zinc/50/04/31/496500431.db2.gz OCCSSSULULZVQN-CQSZACIVSA-N -1 1 366.446 3.464 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3Br)cc1[O-] ZINC000188152009 496702362 /nfs/dbraw/zinc/70/23/62/496702362.db2.gz ZTFHRZHKNRSUGX-OAHLLOKOSA-N -1 1 357.207 3.444 20 30 FGEDMM C=CCSc1ccccc1NC(=O)CSc1nc(CC)cc(=O)[n-]1 ZINC000195071251 496813547 /nfs/dbraw/zinc/81/35/47/496813547.db2.gz XIOYSWWQMYPNCP-UHFFFAOYSA-N -1 1 361.492 3.341 20 30 FGEDMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc21 ZINC000195328243 496890518 /nfs/dbraw/zinc/89/05/18/496890518.db2.gz ADMNKCJFPOVXGU-UHFFFAOYSA-N -1 1 360.826 3.382 20 30 FGEDMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189185437 497036081 /nfs/dbraw/zinc/03/60/81/497036081.db2.gz XDTSWVDLUSWOOE-VIFPVBQESA-N -1 1 366.343 3.131 20 30 FGEDMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190630354 497552578 /nfs/dbraw/zinc/55/25/78/497552578.db2.gz VZENRMIHNVLKBO-NSHDSACASA-N -1 1 359.223 3.387 20 30 FGEDMM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190916779 497644759 /nfs/dbraw/zinc/64/47/59/497644759.db2.gz FYCGZVMHVHTCHE-MRXNPFEDSA-N -1 1 358.401 3.260 20 30 FGEDMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)N1CCCC[C@@H]1C ZINC000331248027 498284216 /nfs/dbraw/zinc/28/42/16/498284216.db2.gz WMKONBRFMQBZCF-QWRGUYRKSA-N -1 1 369.259 3.249 20 30 FGEDMM C=C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000333025491 498873416 /nfs/dbraw/zinc/87/34/16/498873416.db2.gz GFRXXSVCBGNPAR-IBGZPJMESA-N -1 1 364.445 3.329 20 30 FGEDMM N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372213353 499409781 /nfs/dbraw/zinc/40/97/81/499409781.db2.gz VTWDZCRIQGTSBU-UHFFFAOYSA-N -1 1 351.362 3.271 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC000391193836 499556539 /nfs/dbraw/zinc/55/65/39/499556539.db2.gz UCAZHHAIFDZROX-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCCC#N ZINC000376514248 499614203 /nfs/dbraw/zinc/61/42/03/499614203.db2.gz HVRKPTJQFNKYGN-HOCLYGCPSA-N -1 1 369.387 3.183 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000416593308 500068485 /nfs/dbraw/zinc/06/84/85/500068485.db2.gz LFUPOXAEJSWJQQ-TZMCWYRMSA-N -1 1 350.827 3.419 20 30 FGEDMM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(C#N)cc1F)C(=O)[O-] ZINC000417595797 500120472 /nfs/dbraw/zinc/12/04/72/500120472.db2.gz YKZVZHWEHPKSEU-FQEVSTJZSA-N -1 1 354.381 3.112 20 30 FGEDMM COc1nc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2s1 ZINC000430977344 500316938 /nfs/dbraw/zinc/31/69/38/500316938.db2.gz KOEOSCZKEDONAV-UHFFFAOYSA-N -1 1 359.432 3.286 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)cc1F ZINC000427750290 500427552 /nfs/dbraw/zinc/42/75/52/500427552.db2.gz UKHDTERKLYDVRS-UHFFFAOYSA-N -1 1 362.430 3.344 20 30 FGEDMM Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1 ZINC000443056686 500670774 /nfs/dbraw/zinc/67/07/74/500670774.db2.gz ZEYJIWBZXJRMPD-IBGZPJMESA-N -1 1 360.417 3.249 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1[O-] ZINC000443108763 500681135 /nfs/dbraw/zinc/68/11/35/500681135.db2.gz JCHSAGRQOLTQFI-KRWDZBQOSA-N -1 1 374.343 3.079 20 30 FGEDMM N#Cc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c(Cl)c1 ZINC000443569695 500740035 /nfs/dbraw/zinc/74/00/35/500740035.db2.gz VAKZOYBWECMSKP-UHFFFAOYSA-N -1 1 357.675 3.463 20 30 FGEDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000443934655 500779835 /nfs/dbraw/zinc/77/98/35/500779835.db2.gz JOLRDTNTABCPSQ-PELKAZGASA-N -1 1 354.781 3.467 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000588132100 506216455 /nfs/dbraw/zinc/21/64/55/506216455.db2.gz BECGCQAFCDUPEE-CQSZACIVSA-N -1 1 368.792 3.456 20 30 FGEDMM Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3nn[n-]n3)n2)o1 ZINC000435214428 500944805 /nfs/dbraw/zinc/94/48/05/500944805.db2.gz BYWJJFOBXGROOD-UHFFFAOYSA-N -1 1 366.328 3.346 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2C)ccc1C#N ZINC000435715668 501015763 /nfs/dbraw/zinc/01/57/63/501015763.db2.gz CFHCHVAPDOQGFL-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)ccc1C#N ZINC000435729042 501018875 /nfs/dbraw/zinc/01/88/75/501018875.db2.gz SAKADBUCLQLFSA-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1OC(C)C ZINC000435732347 501019415 /nfs/dbraw/zinc/01/94/15/501019415.db2.gz PVHQKUHUBHBNNO-UHFFFAOYSA-N -1 1 360.435 3.463 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000451757728 501367007 /nfs/dbraw/zinc/36/70/07/501367007.db2.gz ORSITVCCRKFYEO-HNNXBMFYSA-N -1 1 354.790 3.373 20 30 FGEDMM N#CCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000485664191 501893090 /nfs/dbraw/zinc/89/30/90/501893090.db2.gz SUTOLSQWXONJMX-UHFFFAOYSA-N -1 1 361.398 3.259 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000465106326 502192709 /nfs/dbraw/zinc/19/27/09/502192709.db2.gz DWUYXOYADUFKQF-LBPRGKRZSA-N -1 1 364.854 3.445 20 30 FGEDMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475812709 502298733 /nfs/dbraw/zinc/29/87/33/502298733.db2.gz SSWICZSDPVMLFW-UHFFFAOYSA-N -1 1 372.446 3.463 20 30 FGEDMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)NC2(C#N)CCC2)nc1-c1ccccc1 ZINC000527285745 503753655 /nfs/dbraw/zinc/75/36/55/503753655.db2.gz MDIGHJOEFANWEN-CYBMUJFWSA-N -1 1 368.462 3.201 20 30 FGEDMM N#CC(=C([O-])c1cc(OC(F)F)ccc1F)c1nnc2n1CCCCC2 ZINC000528931691 504456091 /nfs/dbraw/zinc/45/60/91/504456091.db2.gz YUUOOFYAQIFPNS-GFCCVEGCSA-N -1 1 364.327 3.235 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1-c1ccccc1 ZINC000559948873 504956840 /nfs/dbraw/zinc/95/68/40/504956840.db2.gz GSQMHCLNIZLPOD-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000564560985 505453945 /nfs/dbraw/zinc/45/39/45/505453945.db2.gz HZGRMPKFFWPCFD-UHFFFAOYSA-N -1 1 370.478 3.443 20 30 FGEDMM COCCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593194441 506455645 /nfs/dbraw/zinc/45/56/45/506455645.db2.gz FLAAGHWKTIAYKF-UHFFFAOYSA-N -1 1 374.462 3.314 20 30 FGEDMM CCOCCCn1c(NC(=O)c2cc([O-])cc(C#N)c2)nc2ccccc21 ZINC000589178372 506471822 /nfs/dbraw/zinc/47/18/22/506471822.db2.gz XNJSSSHNGPEWQK-UHFFFAOYSA-N -1 1 364.405 3.292 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CC(OCc3cccc4ccccc43)C2)c1 ZINC000589189076 506475060 /nfs/dbraw/zinc/47/50/60/506475060.db2.gz ZBIHJZXQKNZOTJ-UHFFFAOYSA-N -1 1 358.397 3.458 20 30 FGEDMM CN1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589195021 506477148 /nfs/dbraw/zinc/47/71/48/506477148.db2.gz BRFCOKWQCHRDQM-ROUUACIJSA-N -1 1 373.815 3.232 20 30 FGEDMM CCOC(=O)c1sc([N-]C(=O)c2csc([N+](=O)[O-])c2)c(C#N)c1C ZINC000603750146 506609370 /nfs/dbraw/zinc/60/93/70/506609370.db2.gz IJAPFVMNSUQGJJ-UHFFFAOYSA-N -1 1 365.392 3.327 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000600665502 507054052 /nfs/dbraw/zinc/05/40/52/507054052.db2.gz UIMDBOOYEDWEAT-LBPRGKRZSA-N -1 1 369.446 3.138 20 30 FGEDMM N#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000613504761 507122480 /nfs/dbraw/zinc/12/24/80/507122480.db2.gz BHHXTLXAXXOAEA-ZDUSSCGKSA-N -1 1 354.259 3.425 20 30 FGEDMM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000594668046 507227410 /nfs/dbraw/zinc/22/74/10/507227410.db2.gz PDEZUSKUNJWEMG-KRWDZBQOSA-N -1 1 373.815 3.207 20 30 FGEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]n1 ZINC000610585036 507306722 /nfs/dbraw/zinc/30/67/22/507306722.db2.gz XUCZHTJGRIPTLG-UHFFFAOYSA-N -1 1 372.372 3.398 20 30 FGEDMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(F)c1 ZINC000610855907 507416313 /nfs/dbraw/zinc/41/63/13/507416313.db2.gz CCQMOZNDJILILX-UHFFFAOYSA-N -1 1 358.753 3.299 20 30 FGEDMM CC(=O)Nc1ccc2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2c1 ZINC000614294004 507443836 /nfs/dbraw/zinc/44/38/36/507443836.db2.gz HUQOLXXEUQHNLK-UHFFFAOYSA-N -1 1 352.375 3.084 20 30 FGEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1N1CCCCC1=O ZINC000614296938 507446079 /nfs/dbraw/zinc/44/60/79/507446079.db2.gz ZKZHMWCQEVFYHA-UHFFFAOYSA-N -1 1 365.389 3.042 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000614297767 507446173 /nfs/dbraw/zinc/44/61/73/507446173.db2.gz AHNREPOIOGEHQP-UHFFFAOYSA-N -1 1 370.836 3.395 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2nccn2CCCc2ccccc2)c1 ZINC000614300265 507446390 /nfs/dbraw/zinc/44/63/90/507446390.db2.gz BYOYGDGHKZPBGL-UHFFFAOYSA-N -1 1 360.417 3.023 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000610955061 507454006 /nfs/dbraw/zinc/45/40/06/507454006.db2.gz PDIGEYHMOKUMBC-UHFFFAOYSA-N -1 1 362.361 3.412 20 30 FGEDMM CCCCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(C)n1 ZINC000601961304 507531039 /nfs/dbraw/zinc/53/10/39/507531039.db2.gz CKDMFGHEFRQBGN-UHFFFAOYSA-N -1 1 352.847 3.318 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N)C(C)C ZINC000592351015 507613565 /nfs/dbraw/zinc/61/35/65/507613565.db2.gz MDYPIHOPLAQJEJ-HIFRSBDPSA-N -1 1 356.513 3.494 20 30 FGEDMM CC1CCN(C(=O)c2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614714519 507630169 /nfs/dbraw/zinc/63/01/69/507630169.db2.gz RUMBPHKVEAQANB-UHFFFAOYSA-N -1 1 363.417 3.388 20 30 FGEDMM C=CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735432235 599196244 /nfs/dbraw/zinc/19/62/44/599196244.db2.gz OLJQYQGNBDNRBZ-UHFFFAOYSA-N -1 1 355.785 3.228 20 30 FGEDMM O=C([O-])c1ccc2[nH]cc(CN=Nc3nc4cc(F)c(F)cc4[nH]3)c2c1 ZINC000740190719 600182190 /nfs/dbraw/zinc/18/21/90/600182190.db2.gz PJJOSMLEINDUFH-UHFFFAOYSA-N -1 1 355.304 3.467 20 30 FGEDMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCCC(C)(C)C#N)CC2 ZINC000832102354 601112651 /nfs/dbraw/zinc/11/26/51/601112651.db2.gz AHSHDRZGAJGCBU-MRXNPFEDSA-N -1 1 360.454 3.408 20 30 FGEDMM CCCC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829184739 601300942 /nfs/dbraw/zinc/30/09/42/601300942.db2.gz OYUCZRRXRGWTDH-IBGZPJMESA-N -1 1 351.406 3.212 20 30 FGEDMM O=C([O-])CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCO1 ZINC000833232174 601420114 /nfs/dbraw/zinc/42/01/14/601420114.db2.gz SYVPXWNEFZNPJR-INIZCTEOSA-N -1 1 355.356 3.013 20 30 FGEDMM N#Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])ccc1Cl ZINC000740313194 602652723 /nfs/dbraw/zinc/65/27/23/602652723.db2.gz KKMGVQMPQHNBGG-UHFFFAOYSA-N -1 1 351.771 3.102 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC=CCc2ccc(F)cc2)o1 ZINC000824280045 607652583 /nfs/dbraw/zinc/65/25/83/607652583.db2.gz BUALHVNJZOKNNM-OVZMFLLRSA-N -1 1 355.377 3.303 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCC1 ZINC000738893168 604476799 /nfs/dbraw/zinc/47/67/99/604476799.db2.gz LVTGNNULILPGLD-CYBMUJFWSA-N -1 1 361.467 3.006 20 30 FGEDMM CC(C)(C)OC(=O)NC[C@@](C)(NCc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833437533 604618015 /nfs/dbraw/zinc/61/80/15/604618015.db2.gz AFYVMUUSKKORNG-HXUWFJFHSA-N -1 1 373.453 3.039 20 30 FGEDMM Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H](C)C3CCN(C(=O)[O-])CC3)[nH]c21 ZINC000830532151 605081395 /nfs/dbraw/zinc/08/13/95/605081395.db2.gz MIXZSLQZENLWDX-ZFWWWQNUSA-N -1 1 368.437 3.464 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000833812074 605424521 /nfs/dbraw/zinc/42/45/21/605424521.db2.gz GXLQGZDNBNPFNW-DGCLKSJQSA-N -1 1 366.259 3.189 20 30 FGEDMM CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000833685387 605596632 /nfs/dbraw/zinc/59/66/32/605596632.db2.gz MCALUDDIKAXAIN-UHFFFAOYSA-N -1 1 365.798 3.127 20 30 FGEDMM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821708223 606392453 /nfs/dbraw/zinc/39/24/53/606392453.db2.gz LUMBZTMBQUXKOQ-XQRVVYSFSA-N -1 1 356.407 3.150 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2cccc(F)c2)o1 ZINC000820299178 607035816 /nfs/dbraw/zinc/03/58/16/607035816.db2.gz DADYAIGOWTWFLM-UHFFFAOYSA-N -1 1 357.393 3.223 20 30 FGEDMM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826221583 608121610 /nfs/dbraw/zinc/12/16/10/608121610.db2.gz LORXKFCIVCOIHB-VOTSOKGWSA-N -1 1 363.402 3.381 20 30 FGEDMM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826221583 608121611 /nfs/dbraw/zinc/12/16/11/608121611.db2.gz LORXKFCIVCOIHB-VOTSOKGWSA-N -1 1 363.402 3.381 20 30 FGEDMM C=C(C)CNC(=S)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000044081113 695801798 /nfs/dbraw/zinc/80/17/98/695801798.db2.gz RXZIVERCWUZRGH-UHFFFAOYSA-N -1 1 361.492 3.350 20 30 FGEDMM CCN(C[C@H](C)C#N)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000109019348 700529131 /nfs/dbraw/zinc/52/91/31/700529131.db2.gz LJTHLPOLJPGZSA-CQSZACIVSA-N -1 1 357.483 3.314 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1 ZINC000131645087 700817872 /nfs/dbraw/zinc/81/78/72/700817872.db2.gz ANAAIDQCSQMXHG-UHFFFAOYSA-N -1 1 350.812 3.017 20 30 FGEDMM N#C[C@@H](C(=O)CCC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000173916918 705476567 /nfs/dbraw/zinc/47/65/67/705476567.db2.gz BMWYVKLIEAVCAC-VIFPVBQESA-N -1 1 369.368 3.382 20 30 FGEDMM Cc1nocc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000626284418 715877711 /nfs/dbraw/zinc/87/77/11/715877711.db2.gz VKCDKOCJWCITFL-SNVBAGLBSA-N -1 1 354.391 3.062 20 30 FGEDMM C=CCOCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000657147937 719574727 /nfs/dbraw/zinc/57/47/27/719574727.db2.gz LVMWXNLVSWXOOM-UHFFFAOYSA-N -1 1 374.709 3.035 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000730995926 722472477 /nfs/dbraw/zinc/47/24/77/722472477.db2.gz CZTOPBPGGCRRSB-UHFFFAOYSA-N -1 1 366.236 3.262 20 30 FGEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731545592 722476314 /nfs/dbraw/zinc/47/63/14/722476314.db2.gz DIGVBSVLAQNTHI-GFCCVEGCSA-N -1 1 361.716 3.348 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1C ZINC000746492109 722604871 /nfs/dbraw/zinc/60/48/71/722604871.db2.gz RPYNGSQMZPKOBD-UHFFFAOYSA-N -1 1 361.423 3.055 20 30 FGEDMM CCCC(Cc1ccccc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248090 722681624 /nfs/dbraw/zinc/68/16/24/722681624.db2.gz FWZAPONHRBKXPZ-UHFFFAOYSA-N -1 1 361.423 3.272 20 30 FGEDMM C=CCOCC(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000752197091 722848490 /nfs/dbraw/zinc/84/84/90/722848490.db2.gz MQVUAKCITAANBP-UHFFFAOYSA-N -1 1 356.403 3.310 20 30 FGEDMM CCCCCCCCc1nnc([N-]C(=O)c2ccc3n[nH]nc3n2)s1 ZINC000753989550 722922001 /nfs/dbraw/zinc/92/20/01/722922001.db2.gz GAIXVXFSFAHNIW-UHFFFAOYSA-N -1 1 359.459 3.360 20 30 FGEDMM CCOc1ccccc1C1N=NC(=S)N1N=Cc1cccc(F)c1[O-] ZINC000755598071 722954801 /nfs/dbraw/zinc/95/48/01/722954801.db2.gz BWKAELZYMZGDKF-UHFFFAOYSA-N -1 1 358.398 3.359 20 30 FGEDMM COc1ccc(-c2nc(C=NNc3ccc(C(=O)[O-])cn3)cs2)cc1 ZINC000763376247 723338496 /nfs/dbraw/zinc/33/84/96/723338496.db2.gz BSYFLXXAMSWWDK-UHFFFAOYSA-N -1 1 354.391 3.358 20 30 FGEDMM CC(=NNC(=S)NC[C@H]1CCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765994650 723550622 /nfs/dbraw/zinc/55/06/22/723550622.db2.gz JAXNKDKDEAWZBT-SECBINFHSA-N -1 1 362.282 3.066 20 30 FGEDMM COc1cccc(S(C)(=O)=O)c1N=NC(C)c1ccc([O-])c(Cl)c1 ZINC000768781857 723667123 /nfs/dbraw/zinc/66/71/23/723667123.db2.gz OCLGKMRFBUYERR-UHFFFAOYSA-N -1 1 368.842 3.294 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000799915907 724111790 /nfs/dbraw/zinc/11/17/90/724111790.db2.gz DBPMUEMYSQWOFZ-UHFFFAOYSA-N -1 1 350.321 3.359 20 30 FGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)c1 ZINC000788845128 725091134 /nfs/dbraw/zinc/09/11/34/725091134.db2.gz BJZZFHDUSKTQFT-VURMDHGXSA-N -1 1 364.224 3.128 20 30 FGEDMM Cn1nc(C(F)(F)F)c(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)c1Cl ZINC000806558497 725133237 /nfs/dbraw/zinc/13/32/37/725133237.db2.gz DYKQBLQHBFXVCE-PLNGDYQASA-N -1 1 374.702 3.392 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCC2(CCCC2)CC1 ZINC000811643348 725375581 /nfs/dbraw/zinc/37/55/81/725375581.db2.gz BJNPOLIZRZHZMF-UHFFFAOYSA-N -1 1 351.428 3.364 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812527428 725399315 /nfs/dbraw/zinc/39/93/15/725399315.db2.gz QWULBQCXGCTKHG-CYBMUJFWSA-N -1 1 368.773 3.040 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=C2COc3c2cc(Cl)cc3Br)n1 ZINC000814681561 726992752 /nfs/dbraw/zinc/99/27/52/726992752.db2.gz RJPFHEQSYJHGGT-UHFFFAOYSA-N -1 1 369.606 3.115 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000815983220 727113346 /nfs/dbraw/zinc/11/33/46/727113346.db2.gz UMBVIOHCCUAKEM-LBPRGKRZSA-N -1 1 363.191 3.426 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000816166025 727133127 /nfs/dbraw/zinc/13/31/27/727133127.db2.gz HPNFIDVZBXNRMM-LLVKDONJSA-N -1 1 362.298 3.138 20 30 FGEDMM N#Cc1csc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC000817417704 727249319 /nfs/dbraw/zinc/24/93/19/727249319.db2.gz SGZMKLJQOVVFNQ-ZDUSSCGKSA-N -1 1 365.380 3.230 20 30 FGEDMM C#CCO[N-]C(=O)CCc1cc(C(F)(F)F)ccc1Br ZINC000832328585 729705544 /nfs/dbraw/zinc/70/55/44/729705544.db2.gz PFZHNBFXKQNQGE-UHFFFAOYSA-N -1 1 350.134 3.082 20 30 FGEDMM CCO[C@H](CC)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842281380 730480368 /nfs/dbraw/zinc/48/03/68/730480368.db2.gz IZKPJHIHPZDMFI-NWDGAFQWSA-N -1 1 359.451 3.267 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000846358756 730950246 /nfs/dbraw/zinc/95/02/46/730950246.db2.gz POIUCMYCCAXVSS-IBGZPJMESA-N -1 1 356.809 3.041 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000846360101 730950399 /nfs/dbraw/zinc/95/03/99/730950399.db2.gz WXIKTHHNZVYUOB-LJQANCHMSA-N -1 1 356.809 3.041 20 30 FGEDMM CCCCCCCCc1nnc([N-]C(=O)c2c(C)onc2CO)s1 ZINC000847376194 731050314 /nfs/dbraw/zinc/05/03/14/731050314.db2.gz RAFQAGRNXCHIAT-UHFFFAOYSA-N -1 1 352.460 3.482 20 30 FGEDMM COC(=O)[C@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)c1ccc(C#N)cc1 ZINC000865372967 733187467 /nfs/dbraw/zinc/18/74/67/733187467.db2.gz ADYXRLNRHZFSAT-OAHLLOKOSA-N -1 1 355.419 3.246 20 30 FGEDMM C#CCC1(O)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000895669704 742437884 /nfs/dbraw/zinc/43/78/84/742437884.db2.gz FHXQDZZCMRBIHD-UHFFFAOYSA-N -1 1 358.663 3.158 20 30 FGEDMM COc1cc(OC)nc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)n1 ZINC000906627741 744149869 /nfs/dbraw/zinc/14/98/69/744149869.db2.gz KTDAYPRNAFVNOU-LLVKDONJSA-N -1 1 358.423 3.140 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000029329319 493834149 /nfs/dbraw/zinc/83/41/49/493834149.db2.gz KWMKRVHIPPMDFF-UHFFFAOYSA-N -1 1 367.377 3.073 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c(N3CCNC3=O)c2)n1 ZINC000076763275 493966150 /nfs/dbraw/zinc/96/61/50/493966150.db2.gz OLMXOIBGKJIJPQ-LLVKDONJSA-N -1 1 360.826 3.125 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1 ZINC000072035761 494118687 /nfs/dbraw/zinc/11/86/87/494118687.db2.gz MOGLHFKDNDFPNO-KRWDZBQOSA-N -1 1 368.418 3.087 20 30 FGEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000077707571 494149834 /nfs/dbraw/zinc/14/98/34/494149834.db2.gz MMRVHDNWWUQULL-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC ZINC000055563964 494361875 /nfs/dbraw/zinc/36/18/75/494361875.db2.gz UBSCLCJYWGWHBO-UHFFFAOYSA-N -1 1 366.826 3.338 20 30 FGEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000055640156 494379787 /nfs/dbraw/zinc/37/97/87/494379787.db2.gz WJSKNDHVTUGGQD-UHFFFAOYSA-N -1 1 358.419 3.373 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(C(F)(F)F)c1 ZINC000131527760 494646892 /nfs/dbraw/zinc/64/68/92/494646892.db2.gz LPFXQGRSPYDQLU-UHFFFAOYSA-N -1 1 360.288 3.223 20 30 FGEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000108250766 494670500 /nfs/dbraw/zinc/67/05/00/494670500.db2.gz IBNUQSQEVHLCOQ-UHFFFAOYSA-N -1 1 360.460 3.428 20 30 FGEDMM C=CCCC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075578429 494799264 /nfs/dbraw/zinc/79/92/64/494799264.db2.gz MSVUECOPNGSAAN-UHFFFAOYSA-N -1 1 358.463 3.412 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000116858212 494863325 /nfs/dbraw/zinc/86/33/25/494863325.db2.gz CRRMCGWKXXRWCZ-AWEZNQCLSA-N -1 1 374.462 3.190 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000116861988 494863434 /nfs/dbraw/zinc/86/34/34/494863434.db2.gz BQJILSISGZXDJY-HNNXBMFYSA-N -1 1 358.463 3.490 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c1 ZINC000111995066 495134686 /nfs/dbraw/zinc/13/46/86/495134686.db2.gz IFZBHSZSBKMDTP-UHFFFAOYSA-N -1 1 359.410 3.154 20 30 FGEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc2F)c1 ZINC000129582099 495265683 /nfs/dbraw/zinc/26/56/83/495265683.db2.gz FUNLFKWVFPIYKB-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM CCCc1n[n-]c(=S)n1CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000104316764 495277170 /nfs/dbraw/zinc/27/71/70/495277170.db2.gz UZLIJBWXPVDXOR-ZDUSSCGKSA-N -1 1 357.483 3.375 20 30 FGEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1)C(C)=O ZINC000114673464 495406714 /nfs/dbraw/zinc/40/67/14/495406714.db2.gz WRNPOJMRJGOBCR-UHFFFAOYSA-N -1 1 371.462 3.036 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000150750981 495621596 /nfs/dbraw/zinc/62/15/96/495621596.db2.gz CENNBRPVXMYILY-UHFFFAOYSA-N -1 1 368.817 3.196 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000171004497 495684413 /nfs/dbraw/zinc/68/44/13/495684413.db2.gz IVIQUYLPMLKVFV-INIZCTEOSA-N -1 1 371.462 3.136 20 30 FGEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159332317 495710960 /nfs/dbraw/zinc/71/09/60/495710960.db2.gz VJHWSTCWZKICIC-HNNXBMFYSA-N -1 1 374.462 3.407 20 30 FGEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1C ZINC000180177397 495893336 /nfs/dbraw/zinc/89/33/36/495893336.db2.gz JBONFPSVGAWIKP-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC)c2C)n1 ZINC000568969415 505821417 /nfs/dbraw/zinc/82/14/17/505821417.db2.gz JUKAGBHFHSROAL-GFCCVEGCSA-N -1 1 374.418 3.136 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000174736922 496083563 /nfs/dbraw/zinc/08/35/63/496083563.db2.gz CRKWDYSVMGZZSB-UHFFFAOYSA-N -1 1 359.451 3.327 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000172590119 496354805 /nfs/dbraw/zinc/35/48/05/496354805.db2.gz BJPIYXTVNSQGBC-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000187790588 496573825 /nfs/dbraw/zinc/57/38/25/496573825.db2.gz NBJGZMOWUBZBMW-CQSZACIVSA-N -1 1 351.406 3.143 20 30 FGEDMM CC[C@H](Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000184901982 496578171 /nfs/dbraw/zinc/57/81/71/496578171.db2.gz ADQDYDVXTBEXPZ-CQSZACIVSA-N -1 1 358.419 3.012 20 30 FGEDMM Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)[C@H](C)CO2)c1 ZINC000188565631 496834207 /nfs/dbraw/zinc/83/42/07/496834207.db2.gz OHKCUOQAYJIMET-FOIQADDNSA-N -1 1 350.418 3.483 20 30 FGEDMM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188597986 496846156 /nfs/dbraw/zinc/84/61/56/496846156.db2.gz ZSXBAWRHJYIPHC-UHFFFAOYSA-N -1 1 364.449 3.038 20 30 FGEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(OCC(F)(F)F)c1 ZINC000188717137 496886662 /nfs/dbraw/zinc/88/66/62/496886662.db2.gz MVHHWZGOZWVMJM-UHFFFAOYSA-N -1 1 364.323 3.443 20 30 FGEDMM Cc1nc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(Cl)cc2)no1 ZINC000189089095 497004781 /nfs/dbraw/zinc/00/47/81/497004781.db2.gz JRWKMWJWMQZUKX-INIZCTEOSA-N -1 1 368.780 3.128 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000578180716 505879888 /nfs/dbraw/zinc/87/98/88/505879888.db2.gz VPDVGOJEBRAWFZ-UHFFFAOYSA-N -1 1 356.781 3.282 20 30 FGEDMM C=CCC[C@@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000189557653 497163018 /nfs/dbraw/zinc/16/30/18/497163018.db2.gz IYIBHPYTYUEXOF-QGZVFWFLSA-N -1 1 364.449 3.006 20 30 FGEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000279909466 497584861 /nfs/dbraw/zinc/58/48/61/497584861.db2.gz JTGPEKOZPAPXEZ-UHFFFAOYSA-N -1 1 369.446 3.210 20 30 FGEDMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)N1CCCC[C@H]1C ZINC000331233600 498280840 /nfs/dbraw/zinc/28/08/40/498280840.db2.gz KAMFLPMDGYOELO-MNOVXSKESA-N -1 1 369.259 3.249 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)C[C@@H](C)C[C@H]4C)nn21 ZINC000297982570 498628519 /nfs/dbraw/zinc/62/85/19/498628519.db2.gz XGCUYVUPGDLSKF-VHSXEESVSA-N -1 1 366.450 3.304 20 30 FGEDMM N#Cc1ccc(OC2CCC(N=c3nc(C(F)(F)F)[n-]s3)CC2)nc1 ZINC000572886814 506075793 /nfs/dbraw/zinc/07/57/93/506075793.db2.gz CSNMOCDJPAJRMT-UHFFFAOYSA-N -1 1 369.372 3.048 20 30 FGEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000321272667 498811792 /nfs/dbraw/zinc/81/17/92/498811792.db2.gz VLSDGWDFMGZTLF-VIFPVBQESA-N -1 1 358.674 3.252 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1)C1CC1 ZINC000295247202 498954911 /nfs/dbraw/zinc/95/49/11/498954911.db2.gz WBPKVMUZTMUFCG-UHFFFAOYSA-N -1 1 369.446 3.069 20 30 FGEDMM Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1C(=O)[O-] ZINC000391191543 499556748 /nfs/dbraw/zinc/55/67/48/499556748.db2.gz RSBDQAVWBAWWPR-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM Cc1cc(C)c(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])c1 ZINC000392516042 499558790 /nfs/dbraw/zinc/55/87/90/499558790.db2.gz RSXGXYPEYCLHFU-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000410395938 499660033 /nfs/dbraw/zinc/66/00/33/499660033.db2.gz FFYXGWJWGHUXDA-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM Cc1cc(C)n2nc(C(=O)[N-]c3scc(C(C)(C)C)c3C#N)nc2n1 ZINC000410924948 499685763 /nfs/dbraw/zinc/68/57/63/499685763.db2.gz FQWCEXBDDBAHBD-UHFFFAOYSA-N -1 1 354.439 3.224 20 30 FGEDMM CSc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000425120920 500024987 /nfs/dbraw/zinc/02/49/87/500024987.db2.gz BKPPEJCPLPKWQT-ZDUSSCGKSA-N -1 1 370.478 3.236 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1Cl ZINC000431190813 500347811 /nfs/dbraw/zinc/34/78/11/500347811.db2.gz HZQFXUNJGZKOGQ-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1-c1ncco1 ZINC000427276100 500377037 /nfs/dbraw/zinc/37/70/37/500377037.db2.gz SBPSLFXONPRECJ-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-][C@](C)(c2ccccc2)C(F)(F)F)cc1C#N ZINC000427777725 500431321 /nfs/dbraw/zinc/43/13/21/500431321.db2.gz IAUCJMBJEOYHJP-OAHLLOKOSA-N -1 1 369.368 3.018 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000582391795 506200986 /nfs/dbraw/zinc/20/09/86/506200986.db2.gz WVWJXCLDYONMLD-LBPRGKRZSA-N -1 1 370.430 3.480 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442825309 500630982 /nfs/dbraw/zinc/63/09/82/500630982.db2.gz HUUBVCWJGWSMPG-UHFFFAOYSA-N -1 1 356.403 3.149 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1O ZINC000443371608 500716235 /nfs/dbraw/zinc/71/62/35/500716235.db2.gz SNCAWKDRVOWLPJ-UHFFFAOYSA-N -1 1 367.224 3.136 20 30 FGEDMM C=CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000570652792 506210496 /nfs/dbraw/zinc/21/04/96/506210496.db2.gz XLYVYRHDQZDEAM-UHFFFAOYSA-N -1 1 369.446 3.029 20 30 FGEDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443409220 500720690 /nfs/dbraw/zinc/72/06/90/500720690.db2.gz JXKROFQOVAMJPH-UHFFFAOYSA-N -1 1 370.352 3.179 20 30 FGEDMM N#CCCCn1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c2ccccc21 ZINC000444023516 500793590 /nfs/dbraw/zinc/79/35/90/500793590.db2.gz OEXIDGUWLPJZTN-UHFFFAOYSA-N -1 1 371.404 3.377 20 30 FGEDMM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)nn2)c1 ZINC000434554498 500860316 /nfs/dbraw/zinc/86/03/16/500860316.db2.gz CRLFFTLJYCWDCA-OAHLLOKOSA-N -1 1 374.379 3.390 20 30 FGEDMM CCN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000439136542 500862019 /nfs/dbraw/zinc/86/20/19/500862019.db2.gz RHTUELOBTPDWSB-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435747808 501022247 /nfs/dbraw/zinc/02/22/47/501022247.db2.gz KYJONYWCTWFBJX-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1)C(C)=O ZINC000435757833 501024130 /nfs/dbraw/zinc/02/41/30/501024130.db2.gz CLQVBUVUHHSZOP-UHFFFAOYSA-N -1 1 371.462 3.036 20 30 FGEDMM N#Cc1ccc(CCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436912165 501231222 /nfs/dbraw/zinc/23/12/22/501231222.db2.gz GNIVJLDAJAKQME-UHFFFAOYSA-N -1 1 367.796 3.274 20 30 FGEDMM N#Cc1ccc(CCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436912165 501231225 /nfs/dbraw/zinc/23/12/25/501231225.db2.gz GNIVJLDAJAKQME-UHFFFAOYSA-N -1 1 367.796 3.274 20 30 FGEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]n1 ZINC000474439020 501837248 /nfs/dbraw/zinc/83/72/48/501837248.db2.gz YOMICNYSAALPDL-UHFFFAOYSA-N -1 1 372.372 3.299 20 30 FGEDMM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cn1 ZINC000478617713 502034840 /nfs/dbraw/zinc/03/48/40/502034840.db2.gz HERCWYORLSOULM-HNNXBMFYSA-N -1 1 362.437 3.388 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1-c1cnn(C)c1 ZINC000478705726 502064408 /nfs/dbraw/zinc/06/44/08/502064408.db2.gz YJSHHLWZAZYNTC-UHFFFAOYSA-N -1 1 370.409 3.207 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC)cc1C ZINC000468805463 502189098 /nfs/dbraw/zinc/18/90/98/502189098.db2.gz CHNNOKQGDZBOII-UHFFFAOYSA-N -1 1 359.451 3.498 20 30 FGEDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1)OCO2 ZINC000479238199 502201704 /nfs/dbraw/zinc/20/17/04/502201704.db2.gz HMFOJYATZZLOFZ-UHFFFAOYSA-N -1 1 350.783 3.050 20 30 FGEDMM COc1cccc(-c2nsc(NC([O-])=C(C)c3cccc(C#N)c3)n2)c1 ZINC000462019790 502276976 /nfs/dbraw/zinc/27/69/76/502276976.db2.gz DOUUVHKHDVDENW-GFCCVEGCSA-N -1 1 364.430 3.249 20 30 FGEDMM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479509036 502281175 /nfs/dbraw/zinc/28/11/75/502281175.db2.gz HOZDAANMJQQMJN-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000466474010 502581393 /nfs/dbraw/zinc/58/13/93/502581393.db2.gz NPSDPLVCILYLGI-UHFFFAOYSA-N -1 1 358.419 3.269 20 30 FGEDMM CC[C@](C)(C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000504961154 502831126 /nfs/dbraw/zinc/83/11/26/502831126.db2.gz GJGJRCGJTMPLTI-GOSISDBHSA-N -1 1 357.435 3.366 20 30 FGEDMM CC[C@@](C)(C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000509250581 502859473 /nfs/dbraw/zinc/85/94/73/502859473.db2.gz XUUPENLDTVTKJU-IBGZPJMESA-N -1 1 371.462 3.043 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000509578158 502939854 /nfs/dbraw/zinc/93/98/54/502939854.db2.gz POTLROICSRDQMP-UHFFFAOYSA-N -1 1 373.459 3.013 20 30 FGEDMM COc1ccc(CN(CC2CC2)C(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC000506606399 503142140 /nfs/dbraw/zinc/14/21/40/503142140.db2.gz FXLXJUOCVWHOHQ-UHFFFAOYSA-N -1 1 366.417 3.333 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c(Cl)c1 ZINC000503455346 503413682 /nfs/dbraw/zinc/41/36/82/503413682.db2.gz LRVQGLSFSDJXGU-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCC#N)ccc2C)cc1 ZINC000541452891 504133898 /nfs/dbraw/zinc/13/38/98/504133898.db2.gz LUUWABDIBHFBRP-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000544667793 504209713 /nfs/dbraw/zinc/20/97/13/504209713.db2.gz BCAAKUZCDXZATJ-NSHDSACASA-N -1 1 354.781 3.467 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3(C#N)CC3)cc2)n1 ZINC000538578348 504291136 /nfs/dbraw/zinc/29/11/36/504291136.db2.gz IVPZUFVPWXSSAE-AWEZNQCLSA-N -1 1 365.414 3.365 20 30 FGEDMM CCN(CCC#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000544891991 504292091 /nfs/dbraw/zinc/29/20/91/504292091.db2.gz BIFOBHLCQFSAAJ-UHFFFAOYSA-N -1 1 372.450 3.255 20 30 FGEDMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000563430493 505139570 /nfs/dbraw/zinc/13/95/70/505139570.db2.gz HAIPPJLWYABNED-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM Cc1cnc(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)[n-]c1=O ZINC000567062858 505352477 /nfs/dbraw/zinc/35/24/77/505352477.db2.gz JBMZNTRGVXGFIA-NSHDSACASA-N -1 1 374.491 3.473 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000561477136 505356867 /nfs/dbraw/zinc/35/68/67/505356867.db2.gz JBEJUPNJHOPGQU-GOSISDBHSA-N -1 1 352.415 3.414 20 30 FGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1c(F)cccc1Cl ZINC000561518114 505366405 /nfs/dbraw/zinc/36/64/05/505366405.db2.gz PUAVTORNYGURLV-UHFFFAOYSA-N -1 1 356.806 3.200 20 30 FGEDMM CN(Cc1cc(Br)cs1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589170015 506469516 /nfs/dbraw/zinc/46/95/16/506469516.db2.gz CJNREWBBIKPZRC-UHFFFAOYSA-N -1 1 351.225 3.360 20 30 FGEDMM CN1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000589195962 506478643 /nfs/dbraw/zinc/47/86/43/506478643.db2.gz QEFUTLDRQQNVNG-ROUUACIJSA-N -1 1 355.825 3.092 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c1 ZINC000589202348 506481971 /nfs/dbraw/zinc/48/19/71/506481971.db2.gz WVNYULNKOUJLNW-UHFFFAOYSA-N -1 1 371.824 3.002 20 30 FGEDMM COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614366349 507480454 /nfs/dbraw/zinc/48/04/54/507480454.db2.gz GNVFIVPNCYBBMX-HXUWFJFHSA-N -1 1 366.417 3.094 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000614369903 507483013 /nfs/dbraw/zinc/48/30/13/507483013.db2.gz PJPOBFNXFOBOQM-RTBURBONSA-N -1 1 352.390 3.198 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000614373836 507484400 /nfs/dbraw/zinc/48/44/00/507484400.db2.gz IGIQAILXSZIYSV-KRWDZBQOSA-N -1 1 374.343 3.079 20 30 FGEDMM N#Cc1ccc(C2(NC(=O)c3csc(=NC4CC4)[n-]3)CCOCC2)cc1 ZINC000530061281 562396518 /nfs/dbraw/zinc/39/65/18/562396518.db2.gz RZSOHGPCOKTSOO-UHFFFAOYSA-N -1 1 368.462 3.025 20 30 FGEDMM N#Cc1cccnc1NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737727568 598854621 /nfs/dbraw/zinc/85/46/21/598854621.db2.gz OLYMWMNZGYXMJR-UHFFFAOYSA-N -1 1 359.418 3.474 20 30 FGEDMM Cc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(O)c1C ZINC000735450580 598567148 /nfs/dbraw/zinc/56/71/48/598567148.db2.gz BAQKWZMORWZECA-UHFFFAOYSA-N -1 1 369.429 3.311 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cscc2Cl)o1 ZINC000819965467 607370850 /nfs/dbraw/zinc/37/08/50/607370850.db2.gz HRWWBPOLRBWGFR-UHFFFAOYSA-N -1 1 351.823 3.313 20 30 FGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000739104450 600562944 /nfs/dbraw/zinc/56/29/44/600562944.db2.gz GJDDMIZBCIIYBO-LJQANCHMSA-N -1 1 369.852 3.155 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cncc3ccccc32)o1 ZINC000819965317 607464439 /nfs/dbraw/zinc/46/44/39/607464439.db2.gz BAYRDOUUXWEWIW-UHFFFAOYSA-N -1 1 362.397 3.146 20 30 FGEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000828414059 601317131 /nfs/dbraw/zinc/31/71/31/601317131.db2.gz WRNMCXZUGCXDBG-CPUCHLNUSA-N -1 1 373.453 3.014 20 30 FGEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000832934933 601841371 /nfs/dbraw/zinc/84/13/71/601841371.db2.gz JVDFNQIDYMBHBH-QGZVFWFLSA-N -1 1 371.481 3.207 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000825264650 604207934 /nfs/dbraw/zinc/20/79/34/604207934.db2.gz MLBOJUYIMDXULG-OLZOCXBDSA-N -1 1 351.834 3.110 20 30 FGEDMM C#CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833366741 605180667 /nfs/dbraw/zinc/18/06/67/605180667.db2.gz HJXGNWKDWBOBJO-QGZVFWFLSA-N -1 1 374.234 3.377 20 30 FGEDMM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000833960109 605909391 /nfs/dbraw/zinc/90/93/91/605909391.db2.gz FVBIHKSKFMNUBK-SNVBAGLBSA-N -1 1 372.208 3.079 20 30 FGEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(CC)CC ZINC000821350984 606237379 /nfs/dbraw/zinc/23/73/79/606237379.db2.gz IHSFSOAGSDDDNF-GFCCVEGCSA-N -1 1 361.450 3.361 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(CC(C)C)c2ccccn2)o1 ZINC000820051639 607148115 /nfs/dbraw/zinc/14/81/15/607148115.db2.gz RWWLGAILJWMTKV-UHFFFAOYSA-N -1 1 368.445 3.311 20 30 FGEDMM Cn1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c2ccccc21 ZINC000826360583 607888206 /nfs/dbraw/zinc/88/82/06/607888206.db2.gz QBLTYMXUSKMKDD-UHFFFAOYSA-N -1 1 364.413 3.090 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c1)O[C@H](C)C2 ZINC000826178533 608093500 /nfs/dbraw/zinc/09/35/00/608093500.db2.gz BIVYTVLRIAKUOD-UMBAGQNISA-N -1 1 368.418 3.156 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c1)O[C@H](C)C2 ZINC000826178533 608093501 /nfs/dbraw/zinc/09/35/01/608093501.db2.gz BIVYTVLRIAKUOD-UMBAGQNISA-N -1 1 368.418 3.156 20 30 FGEDMM CCCN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825322885 608190552 /nfs/dbraw/zinc/19/05/52/608190552.db2.gz KWBOLIZZKAUWLS-UHFFFAOYSA-N -1 1 359.846 3.265 20 30 FGEDMM CCCN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825322885 608190553 /nfs/dbraw/zinc/19/05/53/608190553.db2.gz KWBOLIZZKAUWLS-UHFFFAOYSA-N -1 1 359.846 3.265 20 30 FGEDMM CCC[C@@H](C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC000825232707 608750579 /nfs/dbraw/zinc/75/05/79/608750579.db2.gz JVLQACGWGHUJIK-INIZCTEOSA-N -1 1 350.426 3.063 20 30 FGEDMM N#CC1(CSc2nc3c(c(-c4ccco4)c2-c2nn[n-]n2)CCC3)CC1 ZINC000826380073 609308640 /nfs/dbraw/zinc/30/86/40/609308640.db2.gz LZHKTFLFVANHIB-UHFFFAOYSA-N -1 1 364.434 3.406 20 30 FGEDMM Cc1ccc(CCCC=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1C ZINC000826287428 609467586 /nfs/dbraw/zinc/46/75/86/609467586.db2.gz OOEAWRLRZMIFEQ-UHFFFAOYSA-N -1 1 364.453 3.119 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OC(F)F)c(=O)o1 ZINC000044013276 695799917 /nfs/dbraw/zinc/79/99/17/695799917.db2.gz ZTHOCIHNVATUPG-PMUGQKEBSA-N -1 1 356.708 3.170 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(CS(C)(=O)=O)c2)n1 ZINC000080459176 700318157 /nfs/dbraw/zinc/31/81/57/700318157.db2.gz JRYJKPWWJBEYRF-AWEZNQCLSA-N -1 1 362.476 3.301 20 30 FGEDMM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2C1=O ZINC000111667185 700550374 /nfs/dbraw/zinc/55/03/74/700550374.db2.gz PXXUBISVDIOFFI-UHFFFAOYSA-N -1 1 356.765 3.080 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000176019396 705567880 /nfs/dbraw/zinc/56/78/80/705567880.db2.gz ZAPJARNSGPEXAG-MRXNPFEDSA-N -1 1 358.419 3.255 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)c1 ZINC000176680975 705585471 /nfs/dbraw/zinc/58/54/71/705585471.db2.gz UYGIZHZNNGYOHD-UHFFFAOYSA-N -1 1 366.236 3.240 20 30 FGEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])cc(Br)c1O ZINC000255843562 713707570 /nfs/dbraw/zinc/70/75/70/713707570.db2.gz JLWRWXHREYSRLR-RQOWECAXSA-N -1 1 365.179 3.471 20 30 FGEDMM C[C@@H]1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000752730545 722868732 /nfs/dbraw/zinc/86/87/32/722868732.db2.gz BROXDRUFSUOYIQ-GFCCVEGCSA-N -1 1 359.407 3.175 20 30 FGEDMM C=C[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000781575048 724575706 /nfs/dbraw/zinc/57/57/06/724575706.db2.gz HBTFEGPZCPDXLF-ZDUSSCGKSA-N -1 1 361.419 3.227 20 30 FGEDMM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1nc2ccccc2s1 ZINC000659012467 719849107 /nfs/dbraw/zinc/84/91/07/719849107.db2.gz UPLFCIPZOSXQLH-ZDUSSCGKSA-N -1 1 352.419 3.334 20 30 FGEDMM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(CC)s1 ZINC000673736476 721671020 /nfs/dbraw/zinc/67/10/20/721671020.db2.gz UHFAGHQROIHYLG-UHFFFAOYSA-N -1 1 355.423 3.103 20 30 FGEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000783805875 724792668 /nfs/dbraw/zinc/79/26/68/724792668.db2.gz DTJYSLUYDPWAPQ-UHFFFAOYSA-N -1 1 368.361 3.034 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000743251289 722565151 /nfs/dbraw/zinc/56/51/51/722565151.db2.gz MPQKABQHXFTWAD-UHFFFAOYSA-N -1 1 354.200 3.370 20 30 FGEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)o1 ZINC000743259800 722565240 /nfs/dbraw/zinc/56/52/40/722565240.db2.gz NIMVMRVZNFHSJL-UHFFFAOYSA-N -1 1 374.809 3.371 20 30 FGEDMM C#C[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000744181016 722574321 /nfs/dbraw/zinc/57/43/21/722574321.db2.gz GTEWNTLIBMTZNE-HNNXBMFYSA-N -1 1 357.431 3.283 20 30 FGEDMM [O-]c1c(Br)cc(O)cc1C=Nn1cnnc1-c1ccccc1 ZINC000755616290 722955041 /nfs/dbraw/zinc/95/50/41/722955041.db2.gz BLFFKNMVZALGCC-UHFFFAOYSA-N -1 1 359.183 3.001 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000760701647 723083501 /nfs/dbraw/zinc/08/35/01/723083501.db2.gz GFWYJNGTRZLBDU-INIZCTEOSA-N -1 1 365.216 3.424 20 30 FGEDMM C#CCCc1noc(-c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])n1 ZINC000762017911 723207194 /nfs/dbraw/zinc/20/71/94/723207194.db2.gz SBDPNLJZPBOYPU-UHFFFAOYSA-N -1 1 355.272 3.119 20 30 FGEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(OCC#N)c3)cc2s1 ZINC000793364146 723430349 /nfs/dbraw/zinc/43/03/49/723430349.db2.gz RHVFNVZAIGIDLB-UHFFFAOYSA-N -1 1 359.432 3.308 20 30 FGEDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000795379753 723586577 /nfs/dbraw/zinc/58/65/77/723586577.db2.gz IZQVHKALDAFFNX-SECBINFHSA-N -1 1 354.790 3.205 20 30 FGEDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000795382292 723586805 /nfs/dbraw/zinc/58/68/05/723586805.db2.gz SJWPJDIVTZGKHG-SECBINFHSA-N -1 1 354.790 3.205 20 30 FGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCCCC(C)(C)C#N)o1 ZINC000768576630 723662612 /nfs/dbraw/zinc/66/26/12/723662612.db2.gz BMXOUVOBRWYWMK-UHFFFAOYSA-N -1 1 370.471 3.233 20 30 FGEDMM CN1CCN(c2ccc(/C=C\C(=O)c3ccc(C(=O)[O-])s3)cc2)CC1 ZINC000771518179 723736864 /nfs/dbraw/zinc/73/68/64/723736864.db2.gz OAFSBJRTOSFMNF-DAXSKMNVSA-N -1 1 356.447 3.094 20 30 FGEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C(=O)[O-])o1 ZINC000773075447 723776035 /nfs/dbraw/zinc/77/60/35/723776035.db2.gz XXAZRBWUSAYGRN-UHFFFAOYSA-N -1 1 368.143 3.485 20 30 FGEDMM Cc1cc2c(cc1C)C(=NN=C1[N-]S(=O)(=O)c3ccccc31)CCS2 ZINC000777432091 724225378 /nfs/dbraw/zinc/22/53/78/724225378.db2.gz JFXAKUKTTBEHET-UHFFFAOYSA-N -1 1 371.487 3.242 20 30 FGEDMM CO[C@H](C)c1nsc([N-]C(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC000800989366 724257975 /nfs/dbraw/zinc/25/79/75/724257975.db2.gz CSALTINHLOWWEK-SNVBAGLBSA-N -1 1 357.395 3.062 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Br)c3cccnc23)n1 ZINC000777881711 724267631 /nfs/dbraw/zinc/26/76/31/724267631.db2.gz SVMFNTKIZDBPCT-UHFFFAOYSA-N -1 1 358.199 3.247 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2ccc(Br)cc2F)cc1[O-] ZINC000785583632 724922794 /nfs/dbraw/zinc/92/27/94/724922794.db2.gz NVKADAGSYQPYKE-UHFFFAOYSA-N -1 1 363.186 3.138 20 30 FGEDMM C=C[C@H](CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC000830817252 729595275 /nfs/dbraw/zinc/59/52/75/729595275.db2.gz ZKCSCVZBJHUGMK-CXAGYDPISA-N -1 1 354.372 3.016 20 30 FGEDMM C[C@@H]1C(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO[C@H]1C ZINC000844579360 730737297 /nfs/dbraw/zinc/73/72/97/730737297.db2.gz BHBLOLYUNBYJHK-KBPBESRZSA-N -1 1 359.451 3.310 20 30 FGEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@H]1CCCO1 ZINC000845845186 730902583 /nfs/dbraw/zinc/90/25/83/730902583.db2.gz WIKYXRYAALHQIG-HWKXXFMVSA-N -1 1 354.225 3.137 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1[O-] ZINC000846358757 730950137 /nfs/dbraw/zinc/95/01/37/730950137.db2.gz POIUCMYCCAXVSS-LJQANCHMSA-N -1 1 356.809 3.041 20 30 FGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C ZINC000850758717 731385664 /nfs/dbraw/zinc/38/56/64/731385664.db2.gz CSNZRVMQMGXBTG-ZDUSSCGKSA-N -1 1 358.829 3.159 20 30 FGEDMM CCCn1nccc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000853281355 731690885 /nfs/dbraw/zinc/69/08/85/731690885.db2.gz ZRQSKFJTUKVNLW-UHFFFAOYSA-N -1 1 358.496 3.348 20 30 FGEDMM O=c1nc(N=NC2CCCC[C@H]2c2ccccc2Cl)nc2[nH][n-]cc1-2 ZINC000853304941 731692934 /nfs/dbraw/zinc/69/29/34/731692934.db2.gz IHTYYRUYZCOPKH-NSHDSACASA-N -1 1 356.817 3.211 20 30 FGEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000859424859 732326645 /nfs/dbraw/zinc/32/66/45/732326645.db2.gz AASMVUWNERXSRT-JTQLQIEISA-N -1 1 369.792 3.066 20 30 FGEDMM CCCCCCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000860698262 732556238 /nfs/dbraw/zinc/55/62/38/732556238.db2.gz RNYCFVAFQGUKBO-UHFFFAOYSA-N -1 1 357.476 3.159 20 30 FGEDMM CC(C)(C)OC(=O)Nc1cc(C#N)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000863447314 732964561 /nfs/dbraw/zinc/96/45/61/732964561.db2.gz KFTUEZUVSYIIIG-UHFFFAOYSA-N -1 1 365.455 3.447 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)c(C)c(OC)c1 ZINC000901667442 743613583 /nfs/dbraw/zinc/61/35/83/743613583.db2.gz YXPBEINWJRRYNU-UHFFFAOYSA-N -1 1 360.435 3.269 20 30 FGEDMM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000905546565 744031789 /nfs/dbraw/zinc/03/17/89/744031789.db2.gz NJUHLVNIVNXAEF-LBPRGKRZSA-N -1 1 363.227 3.302 20 30 FGEDMM COc1cc(OC)nc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)n1 ZINC000906627742 744149951 /nfs/dbraw/zinc/14/99/51/744149951.db2.gz KTDAYPRNAFVNOU-NSHDSACASA-N -1 1 358.423 3.140 20 30 FGEDMM CCCOc1c(Cl)cc(C=NNc2nc(C)cc(=O)[n-]2)cc1OC ZINC000916540485 758094601 /nfs/dbraw/zinc/09/46/01/758094601.db2.gz ZRXXJRVVNOQDAB-UHFFFAOYSA-N -1 1 350.806 3.387 20 30 FGEDMM C=C1CCN(C(=O)Nc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CC1 ZINC000931665119 760924308 /nfs/dbraw/zinc/92/43/08/760924308.db2.gz YGMNWTHOMIWXLE-UHFFFAOYSA-N -1 1 355.360 3.357 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC#N)ccc2C)cc1 ZINC000060617856 493948389 /nfs/dbraw/zinc/94/83/89/493948389.db2.gz LBDRONZMAANCKP-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000076936369 493991252 /nfs/dbraw/zinc/99/12/52/493991252.db2.gz HMHBLLDAPGQLDS-UHFFFAOYSA-N -1 1 357.435 3.243 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000076937434 493992590 /nfs/dbraw/zinc/99/25/90/493992590.db2.gz MIOKENBZDMMRBL-UONOGXRCSA-N -1 1 354.497 3.249 20 30 FGEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)[nH]n1 ZINC000086170809 494142710 /nfs/dbraw/zinc/14/27/10/494142710.db2.gz ZGSVGTHCECEFIH-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041553538 494167687 /nfs/dbraw/zinc/16/76/87/494167687.db2.gz RLDIECLVMQSKLB-SXBQZSJRSA-N -1 1 366.364 3.469 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000055548378 494358910 /nfs/dbraw/zinc/35/89/10/494358910.db2.gz OYJKGIWKXWCGOW-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1C#N ZINC000109714112 494910959 /nfs/dbraw/zinc/91/09/59/494910959.db2.gz RUQDZKNCQYMPJH-MRVPVSSYSA-N -1 1 368.340 3.192 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(F)(F)F ZINC000132884943 494938350 /nfs/dbraw/zinc/93/83/50/494938350.db2.gz SPDFLRVSKRBFAI-UHFFFAOYSA-N -1 1 368.336 3.408 20 30 FGEDMM N#CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCC1 ZINC000134600723 495174194 /nfs/dbraw/zinc/17/41/94/495174194.db2.gz XLJRYRHHHBALDK-UHFFFAOYSA-N -1 1 355.419 3.120 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1F ZINC000124023818 495223372 /nfs/dbraw/zinc/22/33/72/495223372.db2.gz BDMOTJVUBJZITL-MRVPVSSYSA-N -1 1 358.316 3.154 20 30 FGEDMM C=CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000154185458 495537862 /nfs/dbraw/zinc/53/78/62/495537862.db2.gz VJFOVOKFKNKLOP-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000154337289 495585834 /nfs/dbraw/zinc/58/58/34/495585834.db2.gz RMHAVYDRKBWFMQ-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000183063412 495818684 /nfs/dbraw/zinc/81/86/84/495818684.db2.gz FOHUGSYABRNNNY-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000180201422 495903702 /nfs/dbraw/zinc/90/37/02/495903702.db2.gz NIHDGZVRYFGIHO-UHFFFAOYSA-N -1 1 372.631 3.170 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(F)(F)F ZINC000177618821 496134955 /nfs/dbraw/zinc/13/49/55/496134955.db2.gz MIEADYLZSIYLSG-UHFFFAOYSA-N -1 1 370.308 3.107 20 30 FGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000162048591 496287331 /nfs/dbraw/zinc/28/73/31/496287331.db2.gz ZGQNYTFTVDUGSW-IBGZPJMESA-N -1 1 371.462 3.218 20 30 FGEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000187237254 496354655 /nfs/dbraw/zinc/35/46/55/496354655.db2.gz OOWRTNNLAVEJSB-GFCCVEGCSA-N -1 1 353.403 3.255 20 30 FGEDMM CCOc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1OC(F)F ZINC000188728854 496890061 /nfs/dbraw/zinc/89/00/61/496890061.db2.gz DUKJRARKGYJOLC-UHFFFAOYSA-N -1 1 362.332 3.194 20 30 FGEDMM CC[C@@](C)(COc1ncccc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188953745 496958220 /nfs/dbraw/zinc/95/82/20/496958220.db2.gz KKBJZKLULVPDRI-SFHVURJKSA-N -1 1 359.813 3.290 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000189124020 497015050 /nfs/dbraw/zinc/01/50/50/497015050.db2.gz SOGPVZXCQNSPQZ-WBVHZDCISA-N -1 1 360.772 3.316 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[O-] ZINC000189173636 497033215 /nfs/dbraw/zinc/03/32/15/497033215.db2.gz OMEFHRWMVALJJV-QGZVFWFLSA-N -1 1 373.416 3.069 20 30 FGEDMM COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)OC(C)C ZINC000189220387 497049675 /nfs/dbraw/zinc/04/96/75/497049675.db2.gz KAVOLTYHXMDBHO-LJQANCHMSA-N -1 1 354.406 3.169 20 30 FGEDMM N#Cc1ccc(N2CCC[C@H](Sc3nc(C4CC4)cc(=O)[n-]3)C2=O)cc1 ZINC000189439781 497118254 /nfs/dbraw/zinc/11/82/54/497118254.db2.gz HCWYTXDWZNHHPQ-INIZCTEOSA-N -1 1 366.446 3.219 20 30 FGEDMM N#Cc1ccc(N2CCC[C@@H](Sc3nc(C4CC4)cc(=O)[n-]3)C2=O)cc1 ZINC000189439804 497118385 /nfs/dbraw/zinc/11/83/85/497118385.db2.gz HCWYTXDWZNHHPQ-MRXNPFEDSA-N -1 1 366.446 3.219 20 30 FGEDMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000190013730 497324585 /nfs/dbraw/zinc/32/45/85/497324585.db2.gz RYUCFIJDWQNGPN-INIZCTEOSA-N -1 1 352.390 3.258 20 30 FGEDMM CSc1nc(C)c(CCC(=O)N[C@@](C)(C#N)C2CCCCC2)c(=O)[n-]1 ZINC000569439259 505935439 /nfs/dbraw/zinc/93/54/39/505935439.db2.gz LFIUYKBKPIHOIS-SFHVURJKSA-N -1 1 362.499 3.124 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000331217491 498277446 /nfs/dbraw/zinc/27/74/46/498277446.db2.gz GGCHVIZEIFIWNR-MWLCHTKSSA-N -1 1 352.403 3.267 20 30 FGEDMM C=CCN(CCc1ccccc1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000299352724 499034162 /nfs/dbraw/zinc/03/41/62/499034162.db2.gz ATPQJBLIBHFASB-UHFFFAOYSA-N -1 1 371.506 3.402 20 30 FGEDMM Cc1ccc2c([O-])c(C(=O)N[C@H]3CCc4cnn(C(C)C)c4C3)cnc2n1 ZINC000329528490 499129221 /nfs/dbraw/zinc/12/92/21/499129221.db2.gz SRVWOAMXGBZQAS-AWEZNQCLSA-N -1 1 365.437 3.283 20 30 FGEDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H]1CCc3cnn(C(C)C)c3C1)c2=O ZINC000329528490 499129222 /nfs/dbraw/zinc/12/92/22/499129222.db2.gz SRVWOAMXGBZQAS-AWEZNQCLSA-N -1 1 365.437 3.283 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]c1-c1ccncc1 ZINC000369012225 499357095 /nfs/dbraw/zinc/35/70/95/499357095.db2.gz WXNVUIHQDKHJRR-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM CC(C)(CCC#N)CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000377043520 499656466 /nfs/dbraw/zinc/65/64/66/499656466.db2.gz MIEWLHVKHUGIJB-UHFFFAOYSA-N -1 1 357.454 3.326 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000410989148 499688915 /nfs/dbraw/zinc/68/89/15/499688915.db2.gz RGTWQNNLVCBERJ-UWVGGRQHSA-N -1 1 372.450 3.365 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 ZINC000411007883 499689763 /nfs/dbraw/zinc/68/97/63/499689763.db2.gz HGTIJONFRKPFPK-UWVGGRQHSA-N -1 1 372.450 3.365 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000412893364 499894269 /nfs/dbraw/zinc/89/42/69/499894269.db2.gz AEHNRAFDTWKHQU-AWEZNQCLSA-N -1 1 358.438 3.238 20 30 FGEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000425190510 500040416 /nfs/dbraw/zinc/04/04/16/500040416.db2.gz RMEGHNYOQVEIGL-DTWKUNHWSA-N -1 1 352.765 3.329 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000416938606 500162007 /nfs/dbraw/zinc/16/20/07/500162007.db2.gz LGGVUAWPFKFHKZ-INIZCTEOSA-N -1 1 374.418 3.038 20 30 FGEDMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC)cc1OC ZINC000426811323 500323788 /nfs/dbraw/zinc/32/37/88/500323788.db2.gz LYEAMMXOZTZQOJ-IBGZPJMESA-N -1 1 357.406 3.184 20 30 FGEDMM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc(OC)c1O ZINC000426824051 500325656 /nfs/dbraw/zinc/32/56/56/500325656.db2.gz LCJPKNZLDCKGPJ-GOSISDBHSA-N -1 1 357.406 3.053 20 30 FGEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000582340110 506190334 /nfs/dbraw/zinc/19/03/34/506190334.db2.gz MVSXOEBDAREAIC-UHFFFAOYSA-N -1 1 356.234 3.396 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1Br ZINC000432759883 500559261 /nfs/dbraw/zinc/55/92/61/500559261.db2.gz KUQVWKHCCTXPLL-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1O ZINC000432778188 500561909 /nfs/dbraw/zinc/56/19/09/500561909.db2.gz XROXJTXXFLWJKX-UHFFFAOYSA-N -1 1 367.224 3.136 20 30 FGEDMM N#Cc1cc(Oc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)ccn1 ZINC000436939365 500574979 /nfs/dbraw/zinc/57/49/79/500574979.db2.gz ZKJIPLIFJWSDDL-UHFFFAOYSA-N -1 1 359.341 3.273 20 30 FGEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442245486 500575485 /nfs/dbraw/zinc/57/54/85/500575485.db2.gz XKORTGSTITZOKD-UHFFFAOYSA-N -1 1 373.724 3.199 20 30 FGEDMM Cc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000448695799 500806056 /nfs/dbraw/zinc/80/60/56/500806056.db2.gz AWNRPWYSGNLQRG-AUUYWEPGSA-N -1 1 369.446 3.284 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434968446 500917427 /nfs/dbraw/zinc/91/74/27/500917427.db2.gz MJCGKLKIPSXWPJ-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM COc1cc(C#N)ccc1OCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445464746 500990443 /nfs/dbraw/zinc/99/04/43/500990443.db2.gz VZUQXNQGIZQNSY-UHFFFAOYSA-N -1 1 369.352 3.473 20 30 FGEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435722156 501017279 /nfs/dbraw/zinc/01/72/79/501017279.db2.gz LXXWLLWFWOVUCU-UHFFFAOYSA-N -1 1 357.435 3.406 20 30 FGEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2C)o1 ZINC000435732610 501019407 /nfs/dbraw/zinc/01/94/07/501019407.db2.gz QTHWHBWQPHVFAD-UHFFFAOYSA-N -1 1 356.407 3.267 20 30 FGEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000611619577 506231563 /nfs/dbraw/zinc/23/15/63/506231563.db2.gz UPHTXMAPEAQJEQ-UHFFFAOYSA-N -1 1 369.643 3.070 20 30 FGEDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000436258913 501096913 /nfs/dbraw/zinc/09/69/13/501096913.db2.gz JTVNFVAQAIFAKK-MLZJXEJWSA-N -1 1 374.510 3.471 20 30 FGEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451021496 501239793 /nfs/dbraw/zinc/23/97/93/501239793.db2.gz AIPKZHGGNPJBTR-CQSZACIVSA-N -1 1 358.872 3.152 20 30 FGEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000451865383 501388533 /nfs/dbraw/zinc/38/85/33/501388533.db2.gz UHIKXRGZSVITBI-MNOVXSKESA-N -1 1 356.658 3.269 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)cc1[O-] ZINC000478447498 501984777 /nfs/dbraw/zinc/98/47/77/501984777.db2.gz KKLHSKLUTIYREJ-ZDUSSCGKSA-N -1 1 351.189 3.034 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000465114526 502194831 /nfs/dbraw/zinc/19/48/31/502194831.db2.gz MOCUBVMDZLLHKZ-LBPRGKRZSA-N -1 1 364.854 3.445 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1C(F)(F)F ZINC000480181593 502493397 /nfs/dbraw/zinc/49/33/97/502493397.db2.gz SIPMPXNKASPLGI-UHFFFAOYSA-N -1 1 368.336 3.408 20 30 FGEDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)ccc21 ZINC000476479736 502501000 /nfs/dbraw/zinc/50/10/00/502501000.db2.gz GCMMLCUCSQCIDK-UHFFFAOYSA-N -1 1 358.398 3.429 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1C(F)(F)F ZINC000477193490 502704518 /nfs/dbraw/zinc/70/45/18/502704518.db2.gz WFYBKVLXPMAXRT-UHFFFAOYSA-N -1 1 370.308 3.107 20 30 FGEDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(F)c1 ZINC000467149948 502801986 /nfs/dbraw/zinc/80/19/86/502801986.db2.gz QTCLMSOZYJXSNY-UHFFFAOYSA-N -1 1 354.353 3.189 20 30 FGEDMM C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F ZINC000489642417 503003185 /nfs/dbraw/zinc/00/31/85/503003185.db2.gz QPTASXJKFHCFET-ZCFIWIBFSA-N -1 1 369.258 3.201 20 30 FGEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1C ZINC000506655717 503151162 /nfs/dbraw/zinc/15/11/62/503151162.db2.gz VJRCLHXHWXUPNN-UHFFFAOYSA-N -1 1 358.419 3.153 20 30 FGEDMM CC#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000498609272 503225319 /nfs/dbraw/zinc/22/53/19/503225319.db2.gz AIRHDRNXZXIDRM-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000548212253 504369160 /nfs/dbraw/zinc/36/91/60/504369160.db2.gz QLVYBFFCTNVWGF-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#Cc1cnc(C(=O)Nc2cc(Br)ccc2[O-])c(Cl)c1 ZINC000536207460 504665713 /nfs/dbraw/zinc/66/57/13/504665713.db2.gz ARKODPUNPSWRAB-UHFFFAOYSA-N -1 1 352.575 3.327 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000557783625 505230007 /nfs/dbraw/zinc/23/00/07/505230007.db2.gz NGLWTHZVPPPNQC-SFHVURJKSA-N -1 1 366.442 3.456 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(OCCc3ccccc3)CC2)c1 ZINC000589172319 506468901 /nfs/dbraw/zinc/46/89/01/506468901.db2.gz BLYXBIMBBSBGQS-UHFFFAOYSA-N -1 1 350.418 3.128 20 30 FGEDMM CCOc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1OC(F)F ZINC000589170496 506469373 /nfs/dbraw/zinc/46/93/73/506469373.db2.gz NWZGTLYPVMHTHD-UHFFFAOYSA-N -1 1 362.332 3.194 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccccc2OC(F)(F)F)c1 ZINC000589189231 506474658 /nfs/dbraw/zinc/47/46/58/506474658.db2.gz PIBIMAVMZHFOHG-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589187362 506475080 /nfs/dbraw/zinc/47/50/80/506475080.db2.gz YRQJVJUHNLKSFO-CQSZACIVSA-N -1 1 369.852 3.436 20 30 FGEDMM COC(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc2ccccc2c1 ZINC000589204920 506483612 /nfs/dbraw/zinc/48/36/12/506483612.db2.gz LAJSDDRRGODCGZ-FQEVSTJZSA-N -1 1 374.396 3.451 20 30 FGEDMM N#CC(=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2ccccc2n1 ZINC000603835606 506628628 /nfs/dbraw/zinc/62/86/28/506628628.db2.gz ATKHNIVIHGOJSS-ZDUSSCGKSA-N -1 1 361.313 3.362 20 30 FGEDMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000610123889 507106667 /nfs/dbraw/zinc/10/66/67/507106667.db2.gz GUEYCMKJMHLLTD-UHFFFAOYSA-N -1 1 372.446 3.163 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1 ZINC000614365417 507480975 /nfs/dbraw/zinc/48/09/75/507480975.db2.gz AVPKDUNASDBDOC-QGZVFWFLSA-N -1 1 352.390 3.464 20 30 FGEDMM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc21 ZINC000598837405 507629283 /nfs/dbraw/zinc/62/92/83/507629283.db2.gz DKAJWQQMRYCRNL-VHSXEESVSA-N -1 1 358.471 3.299 20 30 FGEDMM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3nc4ncccn4n3)sc2C1 ZINC000598847820 507635856 /nfs/dbraw/zinc/63/58/56/507635856.db2.gz OJSUSPLNVIYRQI-NSHDSACASA-N -1 1 366.450 3.071 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[n-]c(=O)c1C ZINC000611468961 507695351 /nfs/dbraw/zinc/69/53/51/507695351.db2.gz QCWAAMOJYKLKJU-SNVBAGLBSA-N -1 1 374.491 3.340 20 30 FGEDMM CC(C)COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000735839089 598392215 /nfs/dbraw/zinc/39/22/15/598392215.db2.gz ZOPGTMRGQOLBOD-UHFFFAOYSA-N -1 1 369.429 3.459 20 30 FGEDMM CCCCc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821077800 599331984 /nfs/dbraw/zinc/33/19/84/599331984.db2.gz UHMPCTUJNGGXKT-UHFFFAOYSA-N -1 1 369.454 3.123 20 30 FGEDMM CCCCc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821077800 599331987 /nfs/dbraw/zinc/33/19/87/599331987.db2.gz UHMPCTUJNGGXKT-UHFFFAOYSA-N -1 1 369.454 3.123 20 30 FGEDMM O=C(C(=NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1)c1ccccc1 ZINC000822912163 599332795 /nfs/dbraw/zinc/33/27/95/599332795.db2.gz PCBWBZRCPDJOHH-UHFFFAOYSA-N -1 1 370.372 3.166 20 30 FGEDMM O=C(C(=NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1)c1ccccc1 ZINC000822912163 599332798 /nfs/dbraw/zinc/33/27/98/599332798.db2.gz PCBWBZRCPDJOHH-UHFFFAOYSA-N -1 1 370.372 3.166 20 30 FGEDMM C#Cc1cccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000324830755 600052445 /nfs/dbraw/zinc/05/24/45/600052445.db2.gz VCFZTHPOVFXMNI-UHFFFAOYSA-N -1 1 357.412 3.382 20 30 FGEDMM CCOc1cc2c(cc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000737195169 600591040 /nfs/dbraw/zinc/59/10/40/600591040.db2.gz RHOADBPLKKYFLP-XCLFUZPHSA-N -1 1 366.417 3.196 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1Cl ZINC000740321296 602653411 /nfs/dbraw/zinc/65/34/11/602653411.db2.gz FPTMBJDXCNJNDD-UHFFFAOYSA-N -1 1 351.771 3.102 20 30 FGEDMM Cc1cc(C(C#N)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000740058720 602670159 /nfs/dbraw/zinc/67/01/59/602670159.db2.gz CLUIDGOUWVCULC-HZPDHXFCSA-N -1 1 352.394 3.059 20 30 FGEDMM N#Cc1ccc(OC2CCN(Cc3ccc(NC(=O)[O-])nc3)CC2)cc1 ZINC000833975856 605586919 /nfs/dbraw/zinc/58/69/19/605586919.db2.gz FZWMTXUZTHSEEP-UHFFFAOYSA-N -1 1 352.394 3.087 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)Oc3ccccc32)o1 ZINC000820197485 606340557 /nfs/dbraw/zinc/34/05/57/606340557.db2.gz JWOITZYEJKVREN-UHFFFAOYSA-N -1 1 367.413 3.355 20 30 FGEDMM c1cc(-c2nn[n-]n2)sc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000819718774 606368647 /nfs/dbraw/zinc/36/86/47/606368647.db2.gz PODFPHOPDNHAKY-UHFFFAOYSA-N -1 1 362.378 3.064 20 30 FGEDMM CCc1nc2c(s1)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CCC2 ZINC000821510040 606767012 /nfs/dbraw/zinc/76/70/12/606767012.db2.gz UAGRRAKOZQFMDG-UHFFFAOYSA-N -1 1 372.458 3.150 20 30 FGEDMM C=CCOc1ccc(Oc2nnc(CC)c(CC)c2-c2nnn[n-]2)cc1 ZINC000819759195 606939311 /nfs/dbraw/zinc/93/93/11/606939311.db2.gz PUUUFQXGBRDCOO-UHFFFAOYSA-N -1 1 352.398 3.139 20 30 FGEDMM C=CCOc1ccc(Oc2nnc(CC)c(CC)c2-c2nn[n-]n2)cc1 ZINC000819759195 606939314 /nfs/dbraw/zinc/93/93/14/606939314.db2.gz PUUUFQXGBRDCOO-UHFFFAOYSA-N -1 1 352.398 3.139 20 30 FGEDMM N#Cc1cccc(COc2cccc(Nc3cccc(-c4nnn[n-]4)n3)c2)c1 ZINC000826386683 607896623 /nfs/dbraw/zinc/89/66/23/607896623.db2.gz OHNDZHSJSNLXNY-UHFFFAOYSA-N -1 1 369.388 3.456 20 30 FGEDMM N#Cc1cccc(COc2cccc(Nc3cccc(-c4nn[n-]n4)n3)c2)c1 ZINC000826386683 607896624 /nfs/dbraw/zinc/89/66/24/607896624.db2.gz OHNDZHSJSNLXNY-UHFFFAOYSA-N -1 1 369.388 3.456 20 30 FGEDMM CC(=NNC(=S)Nc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953564 608091680 /nfs/dbraw/zinc/09/16/80/608091680.db2.gz GXUKUMFDYYSVLE-UHFFFAOYSA-N -1 1 371.495 3.256 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403295 608092279 /nfs/dbraw/zinc/09/22/79/608092279.db2.gz OIACICSKSWZNMX-VOTSOKGWSA-N -1 1 360.402 3.281 20 30 FGEDMM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403295 608092280 /nfs/dbraw/zinc/09/22/80/608092280.db2.gz OIACICSKSWZNMX-VOTSOKGWSA-N -1 1 360.402 3.281 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3cccc(F)c23)o1 ZINC000824141985 608109881 /nfs/dbraw/zinc/10/98/81/608109881.db2.gz QIKUGYPTGXAIEZ-UHFFFAOYSA-N -1 1 368.376 3.219 20 30 FGEDMM N#Cc1ccc(C2=CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)cc1 ZINC000826385011 608442218 /nfs/dbraw/zinc/44/22/18/608442218.db2.gz UAKBPFIGKKFSDI-UHFFFAOYSA-N -1 1 369.841 3.142 20 30 FGEDMM N#Cc1ccc(C2=CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)cc1 ZINC000826385011 608442219 /nfs/dbraw/zinc/44/22/19/608442219.db2.gz UAKBPFIGKKFSDI-UHFFFAOYSA-N -1 1 369.841 3.142 20 30 FGEDMM C[C@H](Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccc(C#N)c1 ZINC000824662310 609350942 /nfs/dbraw/zinc/35/09/42/609350942.db2.gz IGQPRFYKXOJLKS-LBPRGKRZSA-N -1 1 374.383 3.236 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C#N)c1 ZINC000028845941 695706698 /nfs/dbraw/zinc/70/66/98/695706698.db2.gz NMRZOOVHQIFGEL-AWEZNQCLSA-N -1 1 358.419 3.173 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000128524305 700776304 /nfs/dbraw/zinc/77/63/04/700776304.db2.gz KVXWQAZIKQERMD-UHFFFAOYSA-N -1 1 355.394 3.102 20 30 FGEDMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCC#Cc1ccccc1 ZINC000198890312 713562798 /nfs/dbraw/zinc/56/27/98/713562798.db2.gz PCFMCOQJLTYTNK-UHFFFAOYSA-N -1 1 368.487 3.227 20 30 FGEDMM CN(Cc1ccc(F)cc1Br)C(=O)c1cc([O-])cc(C#N)c1 ZINC000616694485 714594271 /nfs/dbraw/zinc/59/42/71/714594271.db2.gz FLQLQWINMLFWNH-UHFFFAOYSA-N -1 1 363.186 3.438 20 30 FGEDMM O=C(/C=C/c1cn(-c2ccc(F)c(Cl)c2)nn1)c1cc(O)ccc1[O-] ZINC000782889778 724706895 /nfs/dbraw/zinc/70/68/95/724706895.db2.gz MNXSBNOQARWVHZ-ORCRQEGFSA-N -1 1 359.744 3.367 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000783825284 724793938 /nfs/dbraw/zinc/79/39/38/724793938.db2.gz BTELKJPAGBTURE-UHFFFAOYSA-N -1 1 367.373 3.143 20 30 FGEDMM Cc1nc(C#N)c(N=NC(C)c2cc(Br)cc(F)c2[O-])o1 ZINC000783832687 724794617 /nfs/dbraw/zinc/79/46/17/724794617.db2.gz SLMLKNORWBANFA-UHFFFAOYSA-N -1 1 353.151 3.298 20 30 FGEDMM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1nc2cc(F)ccc2s1 ZINC000730418299 722468279 /nfs/dbraw/zinc/46/82/79/722468279.db2.gz URBUACPJJGTPNV-JTQLQIEISA-N -1 1 356.338 3.416 20 30 FGEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCOC1 ZINC000741762250 722548892 /nfs/dbraw/zinc/54/88/92/722548892.db2.gz URSQFCCNHYDAOD-HNNXBMFYSA-N -1 1 359.451 3.312 20 30 FGEDMM C=C(C)[C@H]1CC=C(C)C(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000746491818 722604937 /nfs/dbraw/zinc/60/49/37/722604937.db2.gz NABJODKLJFWAFN-HNNXBMFYSA-N -1 1 363.439 3.303 20 30 FGEDMM CSc1ccc(C(C)=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000748248020 722681481 /nfs/dbraw/zinc/68/14/81/722681481.db2.gz CCGHWQHZOGSSJY-UHFFFAOYSA-N -1 1 365.436 3.019 20 30 FGEDMM COc1cc(Br)c(/C=C/C(=O)c2cc(O)ccc2[O-])cc1O ZINC000757468886 722976534 /nfs/dbraw/zinc/97/65/34/722976534.db2.gz YZQKWWUBSONFKH-DUXPYHPUSA-N -1 1 365.179 3.471 20 30 FGEDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000757884739 722980770 /nfs/dbraw/zinc/98/07/70/722980770.db2.gz LLAXKSAXOHGVFZ-UHFFFAOYSA-N -1 1 354.353 3.189 20 30 FGEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3c([O-])cccc3Cl)n2)c1 ZINC000764801967 723447761 /nfs/dbraw/zinc/44/77/61/723447761.db2.gz YSOJRGVMTIQVTH-UHFFFAOYSA-N -1 1 352.781 3.237 20 30 FGEDMM Cc1nn(C)c(C)c1C(=N[N-]c1ncnc2ccsc21)C(F)(F)F ZINC000764841396 723452154 /nfs/dbraw/zinc/45/21/54/723452154.db2.gz PQVFWNKMGYSLEM-UHFFFAOYSA-N -1 1 354.361 3.420 20 30 FGEDMM COC(=O)c1coc(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1 ZINC000766501749 723577284 /nfs/dbraw/zinc/57/72/84/723577284.db2.gz INRLZPWPANEKRN-HWKANZROSA-N -1 1 351.152 3.430 20 30 FGEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000773863866 723831352 /nfs/dbraw/zinc/83/13/52/723831352.db2.gz GQOJMXVEUDSQOO-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM Cn1cc(-c2ccc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3O)s2)cn1 ZINC000800794852 724228627 /nfs/dbraw/zinc/22/86/27/724228627.db2.gz RPNHLXIWTZRSHU-UTCJRWHESA-N -1 1 354.387 3.449 20 30 FGEDMM CC(C)(C#N)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000786278270 724970902 /nfs/dbraw/zinc/97/09/02/724970902.db2.gz ZVKSVIWUSFVMFX-LLVKDONJSA-N -1 1 354.435 3.392 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(Br)cc2F)c1 ZINC000809672749 725258331 /nfs/dbraw/zinc/25/83/31/725258331.db2.gz XWZFJNNHCPEFDP-UHFFFAOYSA-N -1 1 363.186 3.138 20 30 FGEDMM O=C(/C=C/c1cn2ccc(Br)cc2n1)c1cc(O)ccc1[O-] ZINC000811693152 725376916 /nfs/dbraw/zinc/37/69/16/725376916.db2.gz KOSHLQAQPWRNFF-HNQUOIGGSA-N -1 1 359.179 3.404 20 30 FGEDMM CN(C)c1cc(C#N)cc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000816495700 727167996 /nfs/dbraw/zinc/16/79/96/727167996.db2.gz GPQXJYMGUQDWLP-UHFFFAOYSA-N -1 1 374.238 3.022 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1COc2cc(F)c(Br)cc21 ZINC000816582377 727177865 /nfs/dbraw/zinc/17/78/65/727177865.db2.gz FKKPNBLKVCVSMY-SNVBAGLBSA-N -1 1 350.134 3.349 20 30 FGEDMM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(F)cc1[O-] ZINC000819431911 727374803 /nfs/dbraw/zinc/37/48/03/727374803.db2.gz ZVIKQCDBGHPMNW-CYBMUJFWSA-N -1 1 351.378 3.057 20 30 FGEDMM C=CCOCCCC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836950683 729982210 /nfs/dbraw/zinc/98/22/10/729982210.db2.gz NRJWIDQCWNIPPR-UHFFFAOYSA-N -1 1 358.360 3.095 20 30 FGEDMM COCC(C)=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000845436951 730849197 /nfs/dbraw/zinc/84/91/97/730849197.db2.gz AORJPKXRUZOTLQ-OFFHKIPUSA-N -1 1 357.435 3.045 20 30 FGEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2c(Cl)cnn2C)cc1 ZINC000850760995 731385685 /nfs/dbraw/zinc/38/56/85/731385685.db2.gz YZLDTUYQXYWKCS-CQSZACIVSA-N -1 1 358.829 3.377 20 30 FGEDMM C#C[C@@](C)(CC)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000854699906 731854238 /nfs/dbraw/zinc/85/42/38/731854238.db2.gz ISIGVIDXWFFLBJ-HNNXBMFYSA-N -1 1 358.316 3.035 20 30 FGEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000856315971 732009171 /nfs/dbraw/zinc/00/91/71/732009171.db2.gz GCYZMMBMURMBEV-ROUUACIJSA-N -1 1 358.825 3.405 20 30 FGEDMM Cn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(C2CCCC2)n1 ZINC000901896193 743671498 /nfs/dbraw/zinc/67/14/98/743671498.db2.gz HYXXHKDFKVHDJQ-UHFFFAOYSA-N -1 1 364.858 3.404 20 30 FGEDMM C=CCOCC[N-]C(=O)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000902920574 743788331 /nfs/dbraw/zinc/78/83/31/743788331.db2.gz LAQYEWZYXRXLOX-UHFFFAOYSA-N -1 1 358.694 3.164 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000055548842 494358993 /nfs/dbraw/zinc/35/89/93/494358993.db2.gz LYYATVNJYDIFQQ-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000055558724 494361364 /nfs/dbraw/zinc/36/13/64/494361364.db2.gz JXELIYJORNSMBE-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(NC(C)=O)c2)n1 ZINC000067893878 494686243 /nfs/dbraw/zinc/68/62/43/494686243.db2.gz HVVJGHOBLWSBGD-ZDUSSCGKSA-N -1 1 371.418 3.077 20 30 FGEDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000025741628 494774064 /nfs/dbraw/zinc/77/40/64/494774064.db2.gz PBQLKWQUKANKQV-UHFFFAOYSA-N -1 1 357.435 3.344 20 30 FGEDMM N#C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCc2ccccc2C1 ZINC000577516396 505743487 /nfs/dbraw/zinc/74/34/87/505743487.db2.gz YCQMPRYNGWJMLH-KRWDZBQOSA-N -1 1 364.829 3.209 20 30 FGEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000026547569 494831775 /nfs/dbraw/zinc/83/17/75/494831775.db2.gz NHKFOYICBAKMCJ-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC000102632420 495148734 /nfs/dbraw/zinc/14/87/34/495148734.db2.gz LMZMOAXNEWAJIZ-UHFFFAOYSA-N -1 1 365.418 3.022 20 30 FGEDMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2)n1 ZINC000115312450 495488648 /nfs/dbraw/zinc/48/86/48/495488648.db2.gz TZPZSSYOBNQIMI-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM C=C(C)[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000185508036 495603992 /nfs/dbraw/zinc/60/39/92/495603992.db2.gz UIXKAUAOXLFEPQ-INIZCTEOSA-N -1 1 355.344 3.249 20 30 FGEDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000185555870 495619257 /nfs/dbraw/zinc/61/92/57/495619257.db2.gz GJFPNOCMVYLRSK-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000174051460 495802655 /nfs/dbraw/zinc/80/26/55/495802655.db2.gz SZFGRZGDZVWIPP-UHFFFAOYSA-N -1 1 372.446 3.243 20 30 FGEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1sccc1Br ZINC000568989348 505825294 /nfs/dbraw/zinc/82/52/94/505825294.db2.gz QYLQJFPPVAVNNZ-UHFFFAOYSA-N -1 1 351.291 3.119 20 30 FGEDMM N#Cc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1[O-] ZINC000187710246 496542086 /nfs/dbraw/zinc/54/20/86/496542086.db2.gz YRWJOSFIIKFGRU-SFHVURJKSA-N -1 1 354.381 3.224 20 30 FGEDMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000190693481 497574400 /nfs/dbraw/zinc/57/44/00/497574400.db2.gz IIRUNGUVGGQTFA-CYBMUJFWSA-N -1 1 351.406 3.178 20 30 FGEDMM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000331296661 498295776 /nfs/dbraw/zinc/29/57/76/498295776.db2.gz TWRLGHPICUQQGE-BAGVQZLWSA-N -1 1 359.875 3.439 20 30 FGEDMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000331296662 498296415 /nfs/dbraw/zinc/29/64/15/498296415.db2.gz TWRLGHPICUQQGE-MNDBLIDSSA-N -1 1 359.875 3.439 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000581678544 506042878 /nfs/dbraw/zinc/04/28/78/506042878.db2.gz RCBCTPQVYBCBPN-MFKMUULPSA-N -1 1 356.403 3.133 20 30 FGEDMM C=CCn1c(COCC)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000581694638 506045943 /nfs/dbraw/zinc/04/59/43/506045943.db2.gz ABPHMGOZIOYDAT-DYVFJYSZSA-N -1 1 364.877 3.264 20 30 FGEDMM Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1C(=O)[O-] ZINC000321208996 498812233 /nfs/dbraw/zinc/81/22/33/498812233.db2.gz WGZHMRQYVHQGFO-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 ZINC000410977037 499688251 /nfs/dbraw/zinc/68/82/51/499688251.db2.gz BNRCVOZRSPLGMW-NXEZZACHSA-N -1 1 372.450 3.365 20 30 FGEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(C#N)c2[C@@H]1C ZINC000410985089 499688660 /nfs/dbraw/zinc/68/86/60/499688660.db2.gz MTJOXSGUXRQRFM-RKDXNWHRSA-N -1 1 359.411 3.200 20 30 FGEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000414473232 499796422 /nfs/dbraw/zinc/79/64/22/499796422.db2.gz ALVCIWNDJIZAEE-GFCCVEGCSA-N -1 1 354.781 3.271 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc2cccnc21 ZINC000427644181 500415659 /nfs/dbraw/zinc/41/56/59/500415659.db2.gz GNRPDXSOXDAQBU-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000438814865 500821958 /nfs/dbraw/zinc/82/19/58/500821958.db2.gz OFPSKMSWISHABR-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(C(C)=O)c2)n1 ZINC000434566552 500860719 /nfs/dbraw/zinc/86/07/19/500860719.db2.gz NJGBDLQNZPLOCG-AWEZNQCLSA-N -1 1 356.403 3.321 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(C(C)=O)c2)n1 ZINC000434566553 500861426 /nfs/dbraw/zinc/86/14/26/500861426.db2.gz NJGBDLQNZPLOCG-CQSZACIVSA-N -1 1 356.403 3.321 20 30 FGEDMM C=CCN1C(=O)c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2C1=O ZINC000445483027 500993158 /nfs/dbraw/zinc/99/31/58/500993158.db2.gz UQICNCFQURPWLK-UHFFFAOYSA-N -1 1 365.320 3.030 20 30 FGEDMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435696398 501013421 /nfs/dbraw/zinc/01/34/21/501013421.db2.gz JHYXKVICQVTCEC-UHFFFAOYSA-N -1 1 374.418 3.155 20 30 FGEDMM N#Cc1ncn(-c2ccccc2NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000436701152 501191358 /nfs/dbraw/zinc/19/13/58/501191358.db2.gz ZIHVATJQTXWSSN-UHFFFAOYSA-N -1 1 355.357 3.250 20 30 FGEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451021447 501239703 /nfs/dbraw/zinc/23/97/03/501239703.db2.gz ADQCOFSNDAQGJS-ZDUSSCGKSA-N -1 1 360.913 3.478 20 30 FGEDMM COc1cc(-c2noc([C@]3(C#N)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000453178142 501286090 /nfs/dbraw/zinc/28/60/90/501286090.db2.gz ODDRONOVCHXLAJ-UOWDBTKRSA-N -1 1 350.172 3.014 20 30 FGEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000451908808 501398829 /nfs/dbraw/zinc/39/88/29/501398829.db2.gz KGYCKVKVYYGLQX-NEPJUHHUSA-N -1 1 369.792 3.371 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1Cl ZINC000481958377 501929021 /nfs/dbraw/zinc/92/90/21/501929021.db2.gz JEHICELCWMQMJX-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000468574169 502111465 /nfs/dbraw/zinc/11/14/65/502111465.db2.gz BZESJAZIMWGBAP-MRXNPFEDSA-N -1 1 371.462 3.136 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000465113440 502194638 /nfs/dbraw/zinc/19/46/38/502194638.db2.gz RVLQEQRWMJGBBF-AWEZNQCLSA-N -1 1 374.462 3.190 20 30 FGEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)n1 ZINC000475806749 502296799 /nfs/dbraw/zinc/29/67/99/502296799.db2.gz FCDOEXDZHCDJJI-UHFFFAOYSA-N -1 1 366.446 3.356 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000475809277 502297542 /nfs/dbraw/zinc/29/75/42/502297542.db2.gz VHXVPMDSKXBEJY-UHFFFAOYSA-N -1 1 372.837 3.393 20 30 FGEDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000467156318 502804605 /nfs/dbraw/zinc/80/46/05/502804605.db2.gz ZFZODNROZUMVAL-UHFFFAOYSA-N -1 1 372.343 3.328 20 30 FGEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000537018590 503779009 /nfs/dbraw/zinc/77/90/09/503779009.db2.gz IWOBYGNFLLLVEN-QMMMGPOBSA-N -1 1 358.674 3.110 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000546627136 503814177 /nfs/dbraw/zinc/81/41/77/503814177.db2.gz GDWQNXITGMNGGP-HNNXBMFYSA-N -1 1 370.352 3.149 20 30 FGEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2COCC3)cc1 ZINC000527592194 503845794 /nfs/dbraw/zinc/84/57/94/503845794.db2.gz JJIZABDMQKIQKK-WFASDCNBSA-N -1 1 367.405 3.222 20 30 FGEDMM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1F ZINC000548592048 504487155 /nfs/dbraw/zinc/48/71/55/504487155.db2.gz LFQUWAJSHPIOLB-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)cc1 ZINC000560888438 505207174 /nfs/dbraw/zinc/20/71/74/505207174.db2.gz PHBMMUCLKGCNDR-UHFFFAOYSA-N -1 1 370.430 3.254 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000563738345 505224308 /nfs/dbraw/zinc/22/43/08/505224308.db2.gz IUFUPPBRHLUTAZ-SFHVURJKSA-N -1 1 356.378 3.358 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000555136383 505360314 /nfs/dbraw/zinc/36/03/14/505360314.db2.gz WVCFZSNDKQSALE-UHFFFAOYSA-N -1 1 374.315 3.439 20 30 FGEDMM COc1ccc(C[C@@H]2CCCN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000589184487 506472809 /nfs/dbraw/zinc/47/28/09/506472809.db2.gz SVABWBROHAKTLP-INIZCTEOSA-N -1 1 350.418 3.367 20 30 FGEDMM C[C@]1(C#N)CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000589487338 506566827 /nfs/dbraw/zinc/56/68/27/506566827.db2.gz NZBDJWFHOQRRIM-QGZVFWFLSA-N -1 1 374.238 3.469 20 30 FGEDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)c2cc(F)ccc2O1 ZINC000593635340 506709987 /nfs/dbraw/zinc/70/99/87/506709987.db2.gz CPCQFPUCWVEIDK-LBPRGKRZSA-N -1 1 366.439 3.340 20 30 FGEDMM N#CC[C@@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000597899680 507163002 /nfs/dbraw/zinc/16/30/02/507163002.db2.gz CBVUIIGREGPWIJ-NSHDSACASA-N -1 1 374.238 3.469 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000614370110 507483404 /nfs/dbraw/zinc/48/34/04/507483404.db2.gz FOMNAMQDMNRZKX-OAHLLOKOSA-N -1 1 355.825 3.316 20 30 FGEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2[C@@H](C)C1 ZINC000598837406 507629305 /nfs/dbraw/zinc/62/93/05/507629305.db2.gz DKAJWQQMRYCRNL-ZJUUUORDSA-N -1 1 358.471 3.299 20 30 FGEDMM N#Cc1ccc(CN2CCCN(c3ncc(C(=O)[O-])cc3Cl)CC2)cc1 ZINC000592426566 507653916 /nfs/dbraw/zinc/65/39/16/507653916.db2.gz HRPZGKDZUBENKN-UHFFFAOYSA-N -1 1 370.840 3.017 20 30 FGEDMM N#CCCCOc1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737688023 598960533 /nfs/dbraw/zinc/96/05/33/598960533.db2.gz YIOIBFZLAUDEOI-UHFFFAOYSA-N -1 1 372.392 3.236 20 30 FGEDMM N#CCCCOc1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737688023 598960534 /nfs/dbraw/zinc/96/05/34/598960534.db2.gz YIOIBFZLAUDEOI-UHFFFAOYSA-N -1 1 372.392 3.236 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1F ZINC000822842410 599111562 /nfs/dbraw/zinc/11/15/62/599111562.db2.gz HFYDLRKMMARYIS-UHFFFAOYSA-N -1 1 374.339 3.203 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1F ZINC000822842410 599111564 /nfs/dbraw/zinc/11/15/64/599111564.db2.gz HFYDLRKMMARYIS-UHFFFAOYSA-N -1 1 374.339 3.203 20 30 FGEDMM CCC[C@@](C)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000736961353 600156114 /nfs/dbraw/zinc/15/61/14/600156114.db2.gz AJRNYTCIODZVIX-GOSISDBHSA-N -1 1 363.483 3.060 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2ccccc2OCC(F)(F)F)C(=O)[O-])c1 ZINC000833076813 601302435 /nfs/dbraw/zinc/30/24/35/601302435.db2.gz ZLVZZCRSFQMFEA-MRXNPFEDSA-N -1 1 364.323 3.415 20 30 FGEDMM N#Cc1cccc(CN[C@H]2C[C@@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)c1 ZINC000833978265 605632247 /nfs/dbraw/zinc/63/22/47/605632247.db2.gz HMEXESJYUIYBGJ-GHTZIAJQSA-N -1 1 363.417 3.294 20 30 FGEDMM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nnn[n-]4)s3)sc2C1 ZINC000820734153 606488543 /nfs/dbraw/zinc/48/85/43/606488543.db2.gz LJRROFWOULWERK-QMMMGPOBSA-N -1 1 370.463 3.238 20 30 FGEDMM C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nn[n-]n4)s3)sc2C1 ZINC000820734153 606488544 /nfs/dbraw/zinc/48/85/44/606488544.db2.gz LJRROFWOULWERK-QMMMGPOBSA-N -1 1 370.463 3.238 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cnn(Cc2ccccc2)c1 ZINC000822927822 607151355 /nfs/dbraw/zinc/15/13/55/607151355.db2.gz BFARDLVEGHURTO-VURMDHGXSA-N -1 1 362.418 3.069 20 30 FGEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(Cl)c1O ZINC000826179015 608092635 /nfs/dbraw/zinc/09/26/35/608092635.db2.gz VBSINFOJWZBHPT-NSCUHMNNSA-N -1 1 362.798 3.192 20 30 FGEDMM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826157448 608093467 /nfs/dbraw/zinc/09/34/67/608093467.db2.gz VUBVUSYWGYDHKF-VOTSOKGWSA-N -1 1 370.434 3.240 20 30 FGEDMM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826157448 608093468 /nfs/dbraw/zinc/09/34/68/608093468.db2.gz VUBVUSYWGYDHKF-VOTSOKGWSA-N -1 1 370.434 3.240 20 30 FGEDMM C=C(CC)CSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC000823883488 608289135 /nfs/dbraw/zinc/28/91/35/608289135.db2.gz RBAZQCYNRNPKFL-UHFFFAOYSA-N -1 1 370.438 3.096 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C#N)s1 ZINC000824129706 608349180 /nfs/dbraw/zinc/34/91/80/608349180.db2.gz FGJASLCWHBBHGB-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C#N)s1 ZINC000824129706 608349181 /nfs/dbraw/zinc/34/91/81/608349181.db2.gz FGJASLCWHBBHGB-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C#N)c1 ZINC000028845939 695706459 /nfs/dbraw/zinc/70/64/59/695706459.db2.gz NMRZOOVHQIFGEL-CQSZACIVSA-N -1 1 358.419 3.173 20 30 FGEDMM Cc1ocnc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000105756494 700504486 /nfs/dbraw/zinc/50/44/86/700504486.db2.gz ZXKPJMVXEDSBOV-NSHDSACASA-N -1 1 351.334 3.259 20 30 FGEDMM C=CC[C@H](C)NC(=O)CCn1c(-c2ccc(OCC)cc2)n[n-]c1=S ZINC000116988073 700599339 /nfs/dbraw/zinc/59/93/39/700599339.db2.gz WFENQONXJHGZLC-ZDUSSCGKSA-N -1 1 360.483 3.477 20 30 FGEDMM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000135363339 704843599 /nfs/dbraw/zinc/84/35/99/704843599.db2.gz ULLIGQMUTQREIX-UHFFFAOYSA-N -1 1 352.774 3.354 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1C#N ZINC000137546810 704870539 /nfs/dbraw/zinc/87/05/39/704870539.db2.gz KOJPCUKMJHRQBX-UHFFFAOYSA-N -1 1 373.503 3.221 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1C#N ZINC000190373989 712813187 /nfs/dbraw/zinc/81/31/87/712813187.db2.gz KOGLZUXTTWICNF-UHFFFAOYSA-N -1 1 352.419 3.162 20 30 FGEDMM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1O ZINC000254394106 713675611 /nfs/dbraw/zinc/67/56/11/713675611.db2.gz AXFNQPJQJXSHGO-UHFFFAOYSA-N -1 1 365.729 3.107 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000308117560 713795558 /nfs/dbraw/zinc/79/55/58/713795558.db2.gz NGDQZXJXPWHDFE-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1[O-] ZINC000615478432 714530752 /nfs/dbraw/zinc/53/07/52/714530752.db2.gz AMELSYAGDSKPDI-AWEZNQCLSA-N -1 1 356.179 3.021 20 30 FGEDMM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617037743 714624503 /nfs/dbraw/zinc/62/45/03/714624503.db2.gz QEKPQBILTWSLFB-KBPBESRZSA-N -1 1 368.499 3.221 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000619461874 714838255 /nfs/dbraw/zinc/83/82/55/714838255.db2.gz XVFAJSZUHYTNCN-UHFFFAOYSA-N -1 1 370.352 3.495 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000619463114 714838790 /nfs/dbraw/zinc/83/87/90/714838790.db2.gz GFHNJDWJUKAFPM-UHFFFAOYSA-N -1 1 365.336 3.444 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)ccc1C(F)(F)F ZINC000619709060 714863572 /nfs/dbraw/zinc/86/35/72/714863572.db2.gz SFYRQPQDXPEKGJ-UHFFFAOYSA-N -1 1 366.324 3.026 20 30 FGEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000727041148 722440468 /nfs/dbraw/zinc/44/04/68/722440468.db2.gz CGPYWJVZRUMYIZ-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cnn2ccccc12 ZINC000729636990 722461161 /nfs/dbraw/zinc/46/11/61/722461161.db2.gz SWAWYNSVLIEACG-UHFFFAOYSA-N -1 1 366.475 3.389 20 30 FGEDMM C=C(Cl)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000736245542 722522405 /nfs/dbraw/zinc/52/24/05/722522405.db2.gz WYHAAZTVTMWBBP-UHFFFAOYSA-N -1 1 364.854 3.278 20 30 FGEDMM CC#CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000744463278 722577313 /nfs/dbraw/zinc/57/73/13/722577313.db2.gz DJXQVYREXNHALG-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000755595199 722954711 /nfs/dbraw/zinc/95/47/11/722954711.db2.gz XLHLDFYTIXUJPM-XFSBKJJWSA-N -1 1 356.321 3.424 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2csc(Cl)c2Cl)c2ccccc21 ZINC000761781848 723183742 /nfs/dbraw/zinc/18/37/42/723183742.db2.gz MKMAYLNPCICXMO-UHFFFAOYSA-N -1 1 360.247 3.128 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc2c(s1)CCCC2 ZINC000764683599 723436995 /nfs/dbraw/zinc/43/69/95/723436995.db2.gz MAWLRMVOXAMKCH-UHFFFAOYSA-N -1 1 359.476 3.090 20 30 FGEDMM CN1CCN(c2ccc(/C=C/C(=O)c3ccc(C(=O)[O-])s3)cc2)CC1 ZINC000771518181 723736850 /nfs/dbraw/zinc/73/68/50/723736850.db2.gz OAFSBJRTOSFMNF-QPJJXVBHSA-N -1 1 356.447 3.094 20 30 FGEDMM [O-]c1c(C=NNC(=S)NC[C@H]2CCCO2)cc(Cl)c2ccccc12 ZINC000774573204 723907522 /nfs/dbraw/zinc/90/75/22/723907522.db2.gz LGTCBAFNQVHLGV-GFCCVEGCSA-N -1 1 363.870 3.176 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)cc1 ZINC000811684224 725376702 /nfs/dbraw/zinc/37/67/02/725376702.db2.gz BIAWUVGLSUPVFH-UHFFFAOYSA-N -1 1 365.838 3.299 20 30 FGEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000814396990 726961857 /nfs/dbraw/zinc/96/18/57/726961857.db2.gz JQAZTTCXQIUESB-UHFFFAOYSA-N -1 1 363.838 3.146 20 30 FGEDMM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)o1 ZINC000815910320 727106720 /nfs/dbraw/zinc/10/67/20/727106720.db2.gz UZHCCDYUJPMSEF-LLVKDONJSA-N -1 1 361.785 3.169 20 30 FGEDMM C=C[C@@H](CCC(=O)[O-])NCc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000841811451 730277439 /nfs/dbraw/zinc/27/74/39/730277439.db2.gz OGFFPPAVULAFAG-ZDUSSCGKSA-N -1 1 351.809 3.482 20 30 FGEDMM CN(C)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000844834526 730777176 /nfs/dbraw/zinc/77/71/76/730777176.db2.gz VVQGPSVZDKHEAM-UHFFFAOYSA-N -1 1 361.442 3.494 20 30 FGEDMM N#CC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000845330802 730834294 /nfs/dbraw/zinc/83/42/94/730834294.db2.gz TXURSVIAPZXMTR-UHFFFAOYSA-N -1 1 352.232 3.038 20 30 FGEDMM C#CCC1(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CCCCC1 ZINC000848340493 731156607 /nfs/dbraw/zinc/15/66/07/731156607.db2.gz YIHCKABIMPVSKA-ZIAGYGMSSA-N -1 1 358.404 3.018 20 30 FGEDMM N#C[C@H](c1ccc(Cl)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000852008153 731531904 /nfs/dbraw/zinc/53/19/04/731531904.db2.gz TXKJRVIXLVMCBG-CQSZACIVSA-N -1 1 359.779 3.295 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000853280488 731690924 /nfs/dbraw/zinc/69/09/24/731690924.db2.gz KSGWHNODMXUAOZ-FRRDWIJNSA-N -1 1 360.439 3.293 20 30 FGEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876397135 736089991 /nfs/dbraw/zinc/08/99/91/736089991.db2.gz WDLJFLLVXKCVIS-UHFFFAOYSA-N -1 1 364.829 3.419 20 30 FGEDMM C=CC[C@@H]1CCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000890555849 739809123 /nfs/dbraw/zinc/80/91/23/739809123.db2.gz DSAUEYYFANGXEW-LLVKDONJSA-N -1 1 358.316 3.294 20 30 FGEDMM C=CC[S@](=O)(=NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)c1ccccc1 ZINC000891376266 739897636 /nfs/dbraw/zinc/89/76/36/739897636.db2.gz DPXHSGYIJQOSFX-RUZDIDTESA-N -1 1 359.451 3.467 20 30 FGEDMM CCn1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000901717879 743626206 /nfs/dbraw/zinc/62/62/06/743626206.db2.gz NUEAEBKXMYYAFD-UHFFFAOYSA-N -1 1 352.847 3.158 20 30 FGEDMM CC#CC[C@@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)[O-] ZINC000904057797 743921471 /nfs/dbraw/zinc/92/14/71/743921471.db2.gz CGFOKLQRYYULOJ-QGZVFWFLSA-N -1 1 359.857 3.158 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000914599600 757809560 /nfs/dbraw/zinc/80/95/60/757809560.db2.gz JPAHYVJCODAVEJ-UHFFFAOYSA-N -1 1 354.218 3.066 20 30 FGEDMM CCCCCCCCN1C(=O)C(=CNC2CCCC2)C(=O)[N-]C1=S ZINC000920975495 758627032 /nfs/dbraw/zinc/62/70/32/758627032.db2.gz GJRNBGRRDWNKQI-SQFISAMPSA-N -1 1 351.516 3.006 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000076935620 493991293 /nfs/dbraw/zinc/99/12/93/493991293.db2.gz CXTPTCLBTOLIQT-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000070776200 494055575 /nfs/dbraw/zinc/05/55/75/494055575.db2.gz XKGBBPOQNJDKQH-CQSZACIVSA-N -1 1 371.462 3.196 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 ZINC000041516334 494166218 /nfs/dbraw/zinc/16/62/18/494166218.db2.gz VZIDULWMGBECFQ-LSDHHAIUSA-N -1 1 355.419 3.059 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1F ZINC000055639936 494379359 /nfs/dbraw/zinc/37/93/59/494379359.db2.gz DVDURBDEXFFFCT-UHFFFAOYSA-N -1 1 364.398 3.318 20 30 FGEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1C ZINC000108759403 494780446 /nfs/dbraw/zinc/78/04/46/494780446.db2.gz OJPQYKPGHFKTPV-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000026255330 494812416 /nfs/dbraw/zinc/81/24/16/494812416.db2.gz PBWIRNGOAHSCKF-LLVKDONJSA-N -1 1 356.304 3.018 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(/C=C\C)cc2)c1 ZINC000577555396 505751481 /nfs/dbraw/zinc/75/14/81/505751481.db2.gz CZQHOFMOMLFVHO-UTCJRWHESA-N -1 1 356.447 3.436 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(OCC(F)(F)F)n1 ZINC000123806320 495189367 /nfs/dbraw/zinc/18/93/67/495189367.db2.gz TXQOXTWAMRCWGR-NSHDSACASA-N -1 1 374.322 3.399 20 30 FGEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000120607580 495416490 /nfs/dbraw/zinc/41/64/90/495416490.db2.gz QEHDWJAQRCTZIE-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000171013063 495688553 /nfs/dbraw/zinc/68/85/53/495688553.db2.gz FFTBRLGZNHCVDE-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000171013104 495688736 /nfs/dbraw/zinc/68/87/36/495688736.db2.gz XKIJNTYBTYXWCB-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000161003746 496083623 /nfs/dbraw/zinc/08/36/23/496083623.db2.gz ZHVZAQWHKNANNV-UHFFFAOYSA-N -1 1 362.426 3.241 20 30 FGEDMM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000161008142 496084301 /nfs/dbraw/zinc/08/43/01/496084301.db2.gz ZQWOACGETCQBMP-UHFFFAOYSA-N -1 1 362.426 3.241 20 30 FGEDMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2)o1 ZINC000174767660 496098072 /nfs/dbraw/zinc/09/80/72/496098072.db2.gz FKDJVMWFXWIZIT-UHFFFAOYSA-N -1 1 368.418 3.280 20 30 FGEDMM N#Cc1cccc(OCCCSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000177937770 496258690 /nfs/dbraw/zinc/25/86/90/496258690.db2.gz OUZXRENSZCGRFU-UHFFFAOYSA-N -1 1 371.462 3.497 20 30 FGEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1F ZINC000187069870 496279709 /nfs/dbraw/zinc/27/97/09/496279709.db2.gz UWVNGHQCDZBEET-UHFFFAOYSA-N -1 1 354.790 3.469 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(C)c(C)cc2OC(F)F)c(=O)o1 ZINC000172814192 496443827 /nfs/dbraw/zinc/44/38/27/496443827.db2.gz FYJPOTFAUCFSSG-APHBUQMISA-N -1 1 350.317 3.133 20 30 FGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179024974 496648056 /nfs/dbraw/zinc/64/80/56/496648056.db2.gz ZRGFPEPKOWTKMT-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1[O-] ZINC000188077812 496675373 /nfs/dbraw/zinc/67/53/73/496675373.db2.gz QAWUMTLPTJJANC-QGZVFWFLSA-N -1 1 360.772 3.270 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000263820733 496735457 /nfs/dbraw/zinc/73/54/57/496735457.db2.gz PVERMUULNOVOSC-MRXNPFEDSA-N -1 1 371.462 3.136 20 30 FGEDMM N#Cc1ccc(C(=O)NC2(c3cccc(Br)c3)CC2)cc1[O-] ZINC000188499960 496810787 /nfs/dbraw/zinc/81/07/87/496810787.db2.gz GIFBKPZYAYKQND-UHFFFAOYSA-N -1 1 357.207 3.445 20 30 FGEDMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188598428 496846463 /nfs/dbraw/zinc/84/64/63/496846463.db2.gz GRFXBFMUNVATJW-UYAOXDASSA-N -1 1 350.418 3.470 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000279835814 497557625 /nfs/dbraw/zinc/55/76/25/497557625.db2.gz CITGPYRRZOOLKB-UHFFFAOYSA-N -1 1 359.426 3.293 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1 ZINC000194207623 497601723 /nfs/dbraw/zinc/60/17/23/497601723.db2.gz LFLOUKGJIGYLNL-UHFFFAOYSA-N -1 1 374.462 3.029 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N ZINC000194650252 497729582 /nfs/dbraw/zinc/72/95/82/497729582.db2.gz DXDDNEGIQVZPNO-UHFFFAOYSA-N -1 1 361.379 3.054 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C)CC#N)cc2)c1C ZINC000194670115 497734287 /nfs/dbraw/zinc/73/42/87/497734287.db2.gz JRNJDHDWOXFCDS-AWEZNQCLSA-N -1 1 371.462 3.136 20 30 FGEDMM CSc1nc(C)c(CCC(=O)N[C@](C)(C#N)C2CCCCC2)c(=O)[n-]1 ZINC000569439253 505935639 /nfs/dbraw/zinc/93/56/39/505935639.db2.gz LFIUYKBKPIHOIS-GOSISDBHSA-N -1 1 362.499 3.124 20 30 FGEDMM Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc([O-])cc4F)no3)CC2)o1 ZINC000288968550 497963206 /nfs/dbraw/zinc/96/32/06/497963206.db2.gz DOKKSTGCJYQLFK-UHFFFAOYSA-N -1 1 369.356 3.133 20 30 FGEDMM CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N=c1cn[n-]s1 ZINC000330261567 498083743 /nfs/dbraw/zinc/08/37/43/498083743.db2.gz PFAOMTATHWZGEZ-HNNXBMFYSA-N -1 1 359.499 3.337 20 30 FGEDMM COc1ccc(NC(=O)NC2(C)CCC(C)CC2)cc1[N-]S(C)(=O)=O ZINC000330643194 498165514 /nfs/dbraw/zinc/16/55/14/498165514.db2.gz RRMPDWIIFSCLIO-UHFFFAOYSA-N -1 1 369.487 3.171 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000331217490 498277372 /nfs/dbraw/zinc/27/73/72/498277372.db2.gz GGCHVIZEIFIWNR-KOLCDFICSA-N -1 1 352.403 3.267 20 30 FGEDMM N#Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000372058469 499394414 /nfs/dbraw/zinc/39/44/14/499394414.db2.gz RBVKTTMZORCXLX-UHFFFAOYSA-N -1 1 351.362 3.271 20 30 FGEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000582188282 506154474 /nfs/dbraw/zinc/15/44/74/506154474.db2.gz XCNPCXUAXKMIGJ-UHFFFAOYSA-N -1 1 350.827 3.467 20 30 FGEDMM C=CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000429400114 500069883 /nfs/dbraw/zinc/06/98/83/500069883.db2.gz NWMPEASSZPLGBX-UHFFFAOYSA-N -1 1 362.426 3.193 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(NC(=O)c2ccoc2C)c1 ZINC000416939918 500162306 /nfs/dbraw/zinc/16/23/06/500162306.db2.gz NUTYIKRMSCBLAI-LBPRGKRZSA-N -1 1 365.386 3.023 20 30 FGEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000431180835 500346681 /nfs/dbraw/zinc/34/66/81/500346681.db2.gz KIXAURIRELEEFF-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1F ZINC000427191153 500364627 /nfs/dbraw/zinc/36/46/27/500364627.db2.gz GDFGCTRXULOBSL-UHFFFAOYSA-N -1 1 360.410 3.425 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424067935 500446746 /nfs/dbraw/zinc/44/67/46/500446746.db2.gz QNTUSKJMJXPNGJ-CYBMUJFWSA-N -1 1 354.497 3.107 20 30 FGEDMM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432782574 500562942 /nfs/dbraw/zinc/56/29/42/500562942.db2.gz XVSHJMDPNAAXDL-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM COCCSc1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442963807 500653834 /nfs/dbraw/zinc/65/38/34/500653834.db2.gz MUNKHHUNQPLBBS-ZDUSSCGKSA-N -1 1 356.447 3.493 20 30 FGEDMM C=CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000448508088 500765636 /nfs/dbraw/zinc/76/56/36/500765636.db2.gz OOOHNPLYTNRYMB-GOSISDBHSA-N -1 1 352.434 3.232 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)ccc1F ZINC000436474310 501133806 /nfs/dbraw/zinc/13/38/06/501133806.db2.gz CBZAEQHKKPUAAR-UHFFFAOYSA-N -1 1 360.288 3.223 20 30 FGEDMM COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c([O-])c1 ZINC000436524310 501147346 /nfs/dbraw/zinc/14/73/46/501147346.db2.gz GOMSDDINTBSHGN-UHFFFAOYSA-N -1 1 366.295 3.466 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)C(C)C)cc2)cc1 ZINC000470583324 501735273 /nfs/dbraw/zinc/73/52/73/501735273.db2.gz QSIZZKPHNQUARU-GOSISDBHSA-N -1 1 371.462 3.074 20 30 FGEDMM C=C(C)CN(Cc1ccccc1)C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000470640714 501752720 /nfs/dbraw/zinc/75/27/20/501752720.db2.gz FHOYGEQMDJMWJH-UHFFFAOYSA-N -1 1 364.449 3.199 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)N(C)C)c2)ccc1C#N ZINC000478677033 502054527 /nfs/dbraw/zinc/05/45/27/502054527.db2.gz QOQUUTFBKCNPKV-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1OC(C)C ZINC000475805920 502296910 /nfs/dbraw/zinc/29/69/10/502296910.db2.gz DVZUKHJLRWLEFB-UHFFFAOYSA-N -1 1 360.435 3.349 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1C#N ZINC000530144019 503851759 /nfs/dbraw/zinc/85/17/59/503851759.db2.gz AXGWZQNCMALVNY-UHFFFAOYSA-N -1 1 372.446 3.344 20 30 FGEDMM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC000548263054 504377695 /nfs/dbraw/zinc/37/76/95/504377695.db2.gz OTFVEUQIUYHWDY-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC#N)cc2)cc1C ZINC000542383897 504469515 /nfs/dbraw/zinc/46/95/15/504469515.db2.gz WENFVSFQNUXGGX-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2O1 ZINC000560447911 505088486 /nfs/dbraw/zinc/08/84/86/505088486.db2.gz QYIZLJDLGTVZAW-UHFFFAOYSA-N -1 1 370.430 3.297 20 30 FGEDMM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)c1 ZINC000599414791 506445381 /nfs/dbraw/zinc/44/53/81/506445381.db2.gz IOGDLOZHSVYANE-KRWDZBQOSA-N -1 1 364.417 3.244 20 30 FGEDMM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc([O-])cc(C#N)c4)C3)nc2c1 ZINC000589175515 506470692 /nfs/dbraw/zinc/47/06/92/506470692.db2.gz NXJFSENZCBBTBK-HNNXBMFYSA-N -1 1 360.417 3.468 20 30 FGEDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([O-])cc(C#N)c4)C3)[nH]c2c1 ZINC000589175515 506470698 /nfs/dbraw/zinc/47/06/98/506470698.db2.gz NXJFSENZCBBTBK-HNNXBMFYSA-N -1 1 360.417 3.468 20 30 FGEDMM CC(C)C[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000608823981 506720042 /nfs/dbraw/zinc/72/00/42/506720042.db2.gz XJUPGZXVGIROFH-KRWDZBQOSA-N -1 1 371.462 3.155 20 30 FGEDMM N#CC1(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000590153110 506751651 /nfs/dbraw/zinc/75/16/51/506751651.db2.gz SOHIAINQGZPOLY-UHFFFAOYSA-N -1 1 373.409 3.259 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000609219642 506817653 /nfs/dbraw/zinc/81/76/53/506817653.db2.gz HUQSSQARGOBWJQ-UHFFFAOYSA-N -1 1 365.414 3.333 20 30 FGEDMM C[C@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc21 ZINC000600665715 507054249 /nfs/dbraw/zinc/05/42/49/507054249.db2.gz WCYRHWVDNDENFZ-ZDUSSCGKSA-N -1 1 369.446 3.023 20 30 FGEDMM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccc(C#N)c([O-])c2)CO1 ZINC000597933905 507184225 /nfs/dbraw/zinc/18/42/25/507184225.db2.gz DTJFZWKIJOLTTC-GOSISDBHSA-N -1 1 350.418 3.474 20 30 FGEDMM N#CCCN(C(=O)CCC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000610339737 507201010 /nfs/dbraw/zinc/20/10/10/507201010.db2.gz JEDYOEJIPSTJCF-UHFFFAOYSA-N -1 1 355.369 3.197 20 30 FGEDMM Cc1nc(SCC(=O)N(CCC#N)c2ccccc2)[n-]c(=O)c1C1CC1 ZINC000601086766 507256080 /nfs/dbraw/zinc/25/60/80/507256080.db2.gz CFEVTYOTBOGUGH-UHFFFAOYSA-N -1 1 368.462 3.407 20 30 FGEDMM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000614293868 507444573 /nfs/dbraw/zinc/44/45/73/507444573.db2.gz CRCBGMHCJFHGDN-KRWDZBQOSA-N -1 1 352.390 3.258 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 ZINC000614298830 507446415 /nfs/dbraw/zinc/44/64/15/507446415.db2.gz JFUWZAOAXVWLLL-MRXNPFEDSA-N -1 1 355.369 3.246 20 30 FGEDMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614300668 507446638 /nfs/dbraw/zinc/44/66/38/507446638.db2.gz QVOIQTPDAIVYCM-YLJYHZDGSA-N -1 1 350.418 3.470 20 30 FGEDMM COc1ccccc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccn1 ZINC000614302655 507448447 /nfs/dbraw/zinc/44/84/47/507448447.db2.gz XMVUTJJEGNWWQH-FQEVSTJZSA-N -1 1 359.385 3.187 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 ZINC000614366157 507480665 /nfs/dbraw/zinc/48/06/65/507480665.db2.gz AAWDJABRIBXBSP-LJQANCHMSA-N -1 1 354.381 3.224 20 30 FGEDMM C[C@H](Cc1ccccc1Br)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614371713 507483487 /nfs/dbraw/zinc/48/34/87/507483487.db2.gz DORLCSOTLORFKS-LLVKDONJSA-N -1 1 359.223 3.387 20 30 FGEDMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)[C@@H](C)CO2)c1 ZINC000614370510 507483500 /nfs/dbraw/zinc/48/35/00/507483500.db2.gz FFGNPJQKRSXIHE-YWZLYKJASA-N -1 1 350.418 3.483 20 30 FGEDMM C=CCCCCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000735408011 598838103 /nfs/dbraw/zinc/83/81/03/598838103.db2.gz DVSPRIUFHPRNQV-UHFFFAOYSA-N -1 1 368.441 3.377 20 30 FGEDMM C=CCCCCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000735408011 598838104 /nfs/dbraw/zinc/83/81/04/598838104.db2.gz DVSPRIUFHPRNQV-UHFFFAOYSA-N -1 1 368.441 3.377 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(F)ccc32)o1 ZINC000735656667 598977717 /nfs/dbraw/zinc/97/77/17/598977717.db2.gz LUNUKWPOKHBFIE-UHFFFAOYSA-N -1 1 355.377 3.054 20 30 FGEDMM FC(F)(F)c1ccc(CNN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822723254 606371104 /nfs/dbraw/zinc/37/11/04/606371104.db2.gz BJILRNKYPSAMCH-UHFFFAOYSA-N -1 1 352.345 3.071 20 30 FGEDMM CC(=NNC(=S)Nc1cccc(C)c1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823953913 608091628 /nfs/dbraw/zinc/09/16/28/608091628.db2.gz VGSBHLRCUUJKNH-UHFFFAOYSA-N -1 1 371.495 3.256 20 30 FGEDMM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nn[n-]n2)s1 ZINC000826403626 608093226 /nfs/dbraw/zinc/09/32/26/608093226.db2.gz XJOWMNQFNISTHH-IHWYPQMZSA-N -1 1 356.798 3.125 20 30 FGEDMM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400015 608093857 /nfs/dbraw/zinc/09/38/57/608093857.db2.gz MWHZJDITUZDTKU-OWOJBTEDSA-N -1 1 360.782 3.206 20 30 FGEDMM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400015 608093858 /nfs/dbraw/zinc/09/38/58/608093858.db2.gz MWHZJDITUZDTKU-OWOJBTEDSA-N -1 1 360.782 3.206 20 30 FGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C)C#N)cc1 ZINC000046804331 695846796 /nfs/dbraw/zinc/84/67/96/695846796.db2.gz SXYPQLLJFIGXNI-LBPRGKRZSA-N -1 1 362.382 3.004 20 30 FGEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(CC#N)cc2)c1Cl ZINC000156286353 705109010 /nfs/dbraw/zinc/10/90/10/705109010.db2.gz GAASNKMHXUQMOY-UHFFFAOYSA-N -1 1 364.810 3.214 20 30 FGEDMM C#CCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000191927102 712847170 /nfs/dbraw/zinc/84/71/70/712847170.db2.gz NPFWPHKHASPCAB-UHFFFAOYSA-N -1 1 360.410 3.369 20 30 FGEDMM CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000209628154 713564715 /nfs/dbraw/zinc/56/47/15/713564715.db2.gz NNPKZLAPMBYMRK-WAPJZHGLSA-N -1 1 351.811 3.313 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OC(F)F)c(=O)o1 ZINC000255427292 713695792 /nfs/dbraw/zinc/69/57/92/713695792.db2.gz ZTHOCIHNVATUPG-XBPVQUQDSA-N -1 1 356.708 3.170 20 30 FGEDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463917 714839236 /nfs/dbraw/zinc/83/92/36/714839236.db2.gz YIJGXSYMMQPLFA-UHFFFAOYSA-N -1 1 352.419 3.048 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000619694634 714862832 /nfs/dbraw/zinc/86/28/32/714862832.db2.gz ILSDYKOBUKLCIB-UHFFFAOYSA-N -1 1 359.447 3.322 20 30 FGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000783261847 724742795 /nfs/dbraw/zinc/74/27/95/724742795.db2.gz LCWLDJCQOWALCN-CYBMUJFWSA-N -1 1 358.419 3.238 20 30 FGEDMM O=C([O-])CCOc1cccc(C=NNc2ccc(Br)cn2)c1 ZINC000727263041 722442835 /nfs/dbraw/zinc/44/28/35/722442835.db2.gz KDFVUOAZTVKRND-UHFFFAOYSA-N -1 1 364.199 3.144 20 30 FGEDMM CS(=O)(=O)Nc1cccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c1 ZINC000729819254 722462883 /nfs/dbraw/zinc/46/28/83/722462883.db2.gz GVOUNJBZWGLDAW-ALCCZGGFSA-N -1 1 351.811 3.313 20 30 FGEDMM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1nc2cc(F)ccc2s1 ZINC000730418305 722468274 /nfs/dbraw/zinc/46/82/74/722468274.db2.gz URBUACPJJGTPNV-SNVBAGLBSA-N -1 1 356.338 3.416 20 30 FGEDMM CC(CCc1ccc(F)cc1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748248038 722681564 /nfs/dbraw/zinc/68/15/64/722681564.db2.gz COAVUOONXVSYAQ-UHFFFAOYSA-N -1 1 365.386 3.021 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000748252875 722681870 /nfs/dbraw/zinc/68/18/70/722681870.db2.gz ISTXEZQULMPIIR-UHFFFAOYSA-N -1 1 359.816 3.012 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C#N)s2)cc1Cl ZINC000750687463 722777611 /nfs/dbraw/zinc/77/76/11/722777611.db2.gz OFMDFUWBLWTDIQ-NSHDSACASA-N -1 1 359.794 3.243 20 30 FGEDMM [O-]c1c(O)cc(C=NNCc2ccc(F)c(F)c2)cc1Br ZINC000757574594 722977174 /nfs/dbraw/zinc/97/71/74/722977174.db2.gz GMNHKBOWRFABLU-UHFFFAOYSA-N -1 1 357.154 3.262 20 30 FGEDMM N#Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765277121 723501080 /nfs/dbraw/zinc/50/10/80/723501080.db2.gz KYXLSWYBSGMKHO-UHFFFAOYSA-N -1 1 364.174 3.487 20 30 FGEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000794589497 723533501 /nfs/dbraw/zinc/53/35/01/723533501.db2.gz IMAHQBOHUNQJML-UHFFFAOYSA-N -1 1 365.798 3.424 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000766546896 723580192 /nfs/dbraw/zinc/58/01/92/723580192.db2.gz HUHOQLVMTCKDKV-UHFFFAOYSA-N -1 1 359.407 3.236 20 30 FGEDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000795379755 723586681 /nfs/dbraw/zinc/58/66/81/723586681.db2.gz IZQVHKALDAFFNX-VIFPVBQESA-N -1 1 354.790 3.205 20 30 FGEDMM COc1ccc(NC(=S)NN=C(C)c2ccc([O-])c(Cl)c2)cn1 ZINC000768778057 723667023 /nfs/dbraw/zinc/66/70/23/723667023.db2.gz VGGVPJCSTMURRM-UHFFFAOYSA-N -1 1 350.831 3.160 20 30 FGEDMM CC#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000773864246 723831583 /nfs/dbraw/zinc/83/15/83/723831583.db2.gz LYVXOQIRGQAWHZ-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000776350104 724135019 /nfs/dbraw/zinc/13/50/19/724135019.db2.gz IQKSCBKWPLPMHS-AWEZNQCLSA-N -1 1 351.189 3.034 20 30 FGEDMM Cc1ccc(C(=O)OCC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000785473162 724914872 /nfs/dbraw/zinc/91/48/72/724914872.db2.gz KBHWKWSYDCBREN-UHFFFAOYSA-N -1 1 364.810 3.130 20 30 FGEDMM COC(=O)c1ccc([C@@H]([N-]C(=O)[C@@H](F)C(F)(F)F)C(F)(F)F)cc1 ZINC000811163106 725348351 /nfs/dbraw/zinc/34/83/51/725348351.db2.gz RRKIISKXVZXMFG-RKDXNWHRSA-N -1 1 361.213 3.093 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)o1 ZINC000811684659 725376773 /nfs/dbraw/zinc/37/67/73/725376773.db2.gz AGOXVVGZVLTIAB-ZRMMWKCHSA-N -1 1 370.144 3.130 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)ccc1C#N ZINC000811702972 725377240 /nfs/dbraw/zinc/37/72/40/725377240.db2.gz ITQPGVZRMKFAPL-UHFFFAOYSA-N -1 1 360.435 3.298 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000815767394 727096196 /nfs/dbraw/zinc/09/61/96/727096196.db2.gz MQIZKAJNPKZIPW-LBPRGKRZSA-N -1 1 357.706 3.418 20 30 FGEDMM N#C[C@@H](C(=O)CC1(C#N)CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000815899252 727105702 /nfs/dbraw/zinc/10/57/02/727105702.db2.gz KKCAQFRFACXDCK-NSHDSACASA-N -1 1 352.419 3.146 20 30 FGEDMM N#C[C@]1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCSC1 ZINC000824991061 729366916 /nfs/dbraw/zinc/36/69/16/729366916.db2.gz PYLAOTJHNKDCNR-GFCCVEGCSA-N -1 1 361.211 3.056 20 30 FGEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834834081 729837749 /nfs/dbraw/zinc/83/77/49/729837749.db2.gz VJLAKPFPKOIUHP-UHFFFAOYSA-N -1 1 360.845 3.022 20 30 FGEDMM CCC[C@@H](OC)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835041525 729852489 /nfs/dbraw/zinc/85/24/89/729852489.db2.gz XYSVEERQBRHJGD-VXGBXAGGSA-N -1 1 359.451 3.267 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C1CCOCC1 ZINC000851827057 731504237 /nfs/dbraw/zinc/50/42/37/731504237.db2.gz FURFUFNJZHMUCK-CYBMUJFWSA-N -1 1 369.895 3.261 20 30 FGEDMM N#C[C@@H](c1ccc(Cl)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000852008124 731531909 /nfs/dbraw/zinc/53/19/09/731531909.db2.gz TXKJRVIXLVMCBG-AWEZNQCLSA-N -1 1 359.779 3.295 20 30 FGEDMM N#C[C@@H](C(=O)Cc1cscn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000853096711 731664701 /nfs/dbraw/zinc/66/47/01/731664701.db2.gz KIZGCQNJROPQFY-NSHDSACASA-N -1 1 370.459 3.151 20 30 FGEDMM C=CCCC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856171499 731991408 /nfs/dbraw/zinc/99/14/08/731991408.db2.gz ZBBOBOYJKBWXHQ-HUUCEWRRSA-N -1 1 354.372 3.016 20 30 FGEDMM O=C(COc1ccccc1Br)N([O-])Cc1ccc(F)cc1 ZINC000900095028 743063600 /nfs/dbraw/zinc/06/36/00/743063600.db2.gz WLLHNJAGLMJBTC-UHFFFAOYSA-N -1 1 354.175 3.385 20 30 FGEDMM CC(C)C[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000906478292 744135684 /nfs/dbraw/zinc/13/56/84/744135684.db2.gz BGWOJRXFWSMEIC-ZDUSSCGKSA-N -1 1 360.202 3.380 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2cccc(Cl)c2Cl)c2ccccc21 ZINC000914599311 757808792 /nfs/dbraw/zinc/80/87/92/757808792.db2.gz FBEVQCUZBUXGMV-UHFFFAOYSA-N -1 1 354.218 3.066 20 30 FGEDMM Cc1nn(C)c(C)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000916368284 758075400 /nfs/dbraw/zinc/07/54/00/758075400.db2.gz ATUQPRGSHZNAJW-UHFFFAOYSA-N -1 1 358.496 3.092 20 30 FGEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000917753484 758266319 /nfs/dbraw/zinc/26/63/19/758266319.db2.gz OFCLPRNWHMMEEU-UHFFFAOYSA-N -1 1 365.798 3.191 20 30 FGEDMM C=CCCO[C@H](C)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435421 493819881 /nfs/dbraw/zinc/81/98/81/493819881.db2.gz YYXVQBQETQHUBO-CYBMUJFWSA-N -1 1 352.504 3.209 20 30 FGEDMM CC(C)n1c(C2CCN(C(=O)c3sccc3C#N)CC2)n[n-]c1=S ZINC000068446985 493822495 /nfs/dbraw/zinc/82/24/95/493822495.db2.gz YGTPHKBJLUWNHI-UHFFFAOYSA-N -1 1 361.496 3.475 20 30 FGEDMM Cc1nc(-c2ccccn2)sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389359 493836691 /nfs/dbraw/zinc/83/66/91/493836691.db2.gz ZDSDWQROHJBENU-UHFFFAOYSA-N -1 1 354.317 3.287 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000029967337 493870907 /nfs/dbraw/zinc/87/09/07/493870907.db2.gz UUGOEXIVXQXCRT-UHFFFAOYSA-N -1 1 356.325 3.452 20 30 FGEDMM Cc1cc(C)n2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C)C4)nc2n1 ZINC000069610205 493985516 /nfs/dbraw/zinc/98/55/16/493985516.db2.gz YBQBTJAKIFWMTQ-SECBINFHSA-N -1 1 366.450 3.051 20 30 FGEDMM C[C@H](C#N)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000054157732 494201527 /nfs/dbraw/zinc/20/15/27/494201527.db2.gz AVKIKZHMAGIKTM-ZCFIWIBFSA-N -1 1 372.071 3.194 20 30 FGEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000055583223 494366744 /nfs/dbraw/zinc/36/67/44/494366744.db2.gz PWBIIHLHBXDKGJ-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1OCC(F)(F)F ZINC000055595697 494369418 /nfs/dbraw/zinc/36/94/18/494369418.db2.gz WPJZKCKLMPDUQK-UHFFFAOYSA-N -1 1 374.315 3.439 20 30 FGEDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)n[nH]2)cc1 ZINC000571426273 505731344 /nfs/dbraw/zinc/73/13/44/505731344.db2.gz JSIBGYKSLAZBPW-UHFFFAOYSA-N -1 1 356.407 3.295 20 30 FGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C(C)C ZINC000116710205 494841704 /nfs/dbraw/zinc/84/17/04/494841704.db2.gz DIFHVOWYUQZGFS-UHFFFAOYSA-N -1 1 371.462 3.116 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000116858214 494863136 /nfs/dbraw/zinc/86/31/36/494863136.db2.gz CRRMCGWKXXRWCZ-CQSZACIVSA-N -1 1 374.462 3.190 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)cc1 ZINC000102632340 495147579 /nfs/dbraw/zinc/14/75/79/495147579.db2.gz HMJWGOBRKALDOG-UHFFFAOYSA-N -1 1 365.418 3.022 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1 ZINC000135357377 495281744 /nfs/dbraw/zinc/28/17/44/495281744.db2.gz YLMVGMVECOIVCE-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM N#Cc1cccc(OC2CCN(C(=O)c3c([O-])cnc4ccccc43)CC2)c1 ZINC000136757691 495399313 /nfs/dbraw/zinc/39/93/13/495399313.db2.gz WSLMRXWZLOQLAU-UHFFFAOYSA-N -1 1 373.412 3.496 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176681423 495745608 /nfs/dbraw/zinc/74/56/08/495745608.db2.gz XHBLQQCHKYBRMS-UHFFFAOYSA-N -1 1 363.414 3.242 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(C)cc3)nc(=O)c2c1C ZINC000155448999 495959705 /nfs/dbraw/zinc/95/97/05/495959705.db2.gz UMPTUOGJNDUGBY-CYBMUJFWSA-N -1 1 352.419 3.156 20 30 FGEDMM N#Cc1cccnc1-n1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000183646055 496060115 /nfs/dbraw/zinc/06/01/15/496060115.db2.gz IQJZAEORCOTJJT-UHFFFAOYSA-N -1 1 355.357 3.250 20 30 FGEDMM N#C[C@@]1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCc2ccccc2C1 ZINC000187075545 496281638 /nfs/dbraw/zinc/28/16/38/496281638.db2.gz PRDJGBIZTMALIB-QGZVFWFLSA-N -1 1 364.829 3.209 20 30 FGEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C)C(C)=O ZINC000172590262 496354333 /nfs/dbraw/zinc/35/43/33/496354333.db2.gz YZKGQOHWVQZSPM-UHFFFAOYSA-N -1 1 371.462 3.036 20 30 FGEDMM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1nc2ccccc2n1C(F)F ZINC000187483522 496460446 /nfs/dbraw/zinc/46/04/46/496460446.db2.gz UDGRBSQRHROPAK-GFCCVEGCSA-N -1 1 368.343 3.487 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1[O-] ZINC000194910212 496756697 /nfs/dbraw/zinc/75/66/97/496756697.db2.gz BGTVQKNTZMDOKO-UHFFFAOYSA-N -1 1 352.365 3.138 20 30 FGEDMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188426647 496786917 /nfs/dbraw/zinc/78/69/17/496786917.db2.gz ASYVJHBRQYMMKP-KRWDZBQOSA-N -1 1 353.397 3.110 20 30 FGEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)n1 ZINC000191607498 496830529 /nfs/dbraw/zinc/83/05/29/496830529.db2.gz VMQKRVKMDQJPPE-NSHDSACASA-N -1 1 359.411 3.458 20 30 FGEDMM Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccc(C#N)c([O-])c4)C3)nc2c1 ZINC000189002551 496974790 /nfs/dbraw/zinc/97/47/90/496974790.db2.gz KZAGLDOBUQHBMO-INIZCTEOSA-N -1 1 360.417 3.468 20 30 FGEDMM Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(C#N)c([O-])c4)C3)[nH]c2c1 ZINC000189002551 496974802 /nfs/dbraw/zinc/97/48/02/496974802.db2.gz KZAGLDOBUQHBMO-INIZCTEOSA-N -1 1 360.417 3.468 20 30 FGEDMM N#C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000569265662 505892235 /nfs/dbraw/zinc/89/22/35/505892235.db2.gz WVBFFTSXTYRVTC-HXUWFJFHSA-N -1 1 359.385 3.361 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1[O-] ZINC000189877962 497277619 /nfs/dbraw/zinc/27/76/19/497277619.db2.gz BDVMEJGTQLHYPF-UHFFFAOYSA-N -1 1 373.815 3.014 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1[O-] ZINC000190006913 497322621 /nfs/dbraw/zinc/32/26/21/497322621.db2.gz KLHRTEHXSOLEBC-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000267425142 497548887 /nfs/dbraw/zinc/54/88/87/497548887.db2.gz VKUWRQOJHZYCDD-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM N#Cc1ccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000190731693 497588101 /nfs/dbraw/zinc/58/81/01/497588101.db2.gz NHRQJCOECXVUTI-UHFFFAOYSA-N -1 1 350.296 3.091 20 30 FGEDMM Cc1ccc(NC(=O)C(C)(C)C#N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000194442105 497668999 /nfs/dbraw/zinc/66/89/99/497668999.db2.gz PPNUZWOGXNYJAK-UHFFFAOYSA-N -1 1 357.435 3.284 20 30 FGEDMM CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)c(O)cc2F)cc1C#N ZINC000578802656 506023892 /nfs/dbraw/zinc/02/38/92/506023892.db2.gz NVZJUSIQIWNORG-UHFFFAOYSA-N -1 1 353.762 3.131 20 30 FGEDMM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000410412730 499661138 /nfs/dbraw/zinc/66/11/38/499661138.db2.gz DZSXOTSAOVEXJC-UHFFFAOYSA-N -1 1 366.446 3.376 20 30 FGEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(C#N)c2[C@H]1C ZINC000410985083 499688615 /nfs/dbraw/zinc/68/86/15/499688615.db2.gz MTJOXSGUXRQRFM-BDAKNGLRSA-N -1 1 359.411 3.200 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(F)c1 ZINC000570451433 506170685 /nfs/dbraw/zinc/17/06/85/506170685.db2.gz CKUKTRGETMQFFA-UHFFFAOYSA-N -1 1 352.774 3.086 20 30 FGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447791440 500663001 /nfs/dbraw/zinc/66/30/01/500663001.db2.gz JUWAHRXJDNNVDO-UHFFFAOYSA-N -1 1 356.325 3.408 20 30 FGEDMM Cc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000448704769 500808793 /nfs/dbraw/zinc/80/87/93/500808793.db2.gz OOXMVBUUGVYGFG-KUHUBIRLSA-N -1 1 369.446 3.284 20 30 FGEDMM C=CCN(C(=O)c1ccc([O-])cc1F)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444373697 500841752 /nfs/dbraw/zinc/84/17/52/500841752.db2.gz WQRBQCKAAHEIMU-IBGZPJMESA-N -1 1 371.408 3.334 20 30 FGEDMM COc1cc(-c2noc(-c3ccc(C#N)nc3)n2)cc(Br)c1[O-] ZINC000445388347 500979776 /nfs/dbraw/zinc/97/97/76/500979776.db2.gz AIDDLUVAXWKWPT-UHFFFAOYSA-N -1 1 373.166 3.147 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(Cl)c1 ZINC000435507136 500986600 /nfs/dbraw/zinc/98/66/00/500986600.db2.gz YUBXJXOUHHHRGI-UHFFFAOYSA-N -1 1 355.828 3.032 20 30 FGEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(F)ccc3[O-])ccc21 ZINC000436843274 501220182 /nfs/dbraw/zinc/22/01/82/501220182.db2.gz YVTZGJFOUSSMGL-UHFFFAOYSA-N -1 1 367.380 3.367 20 30 FGEDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000481964597 501931737 /nfs/dbraw/zinc/93/17/37/501931737.db2.gz OEMUHYDIFHPFHH-UHFFFAOYSA-N -1 1 364.810 3.189 20 30 FGEDMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2nn1C ZINC000461346810 502079438 /nfs/dbraw/zinc/07/94/38/502079438.db2.gz MHEHFWYWMQYSHJ-UHFFFAOYSA-N -1 1 360.826 3.208 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000465115888 502194231 /nfs/dbraw/zinc/19/42/31/502194231.db2.gz PYMZUJQAELKIAO-ZDUSSCGKSA-N -1 1 362.426 3.239 20 30 FGEDMM C=CCCC1(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])CC1 ZINC000476525927 502514014 /nfs/dbraw/zinc/51/40/14/502514014.db2.gz QPMBIQHMJGFJPZ-UHFFFAOYSA-N -1 1 366.483 3.108 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc(C)c1C ZINC000484060596 502559677 /nfs/dbraw/zinc/55/96/77/502559677.db2.gz OEWVOZQNOHMFQS-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000484715697 502718807 /nfs/dbraw/zinc/71/88/07/502718807.db2.gz QWCNAUXOPWHTDS-UHFFFAOYSA-N -1 1 360.435 3.293 20 30 FGEDMM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162138 502805749 /nfs/dbraw/zinc/80/57/49/502805749.db2.gz XSOUKVSQBVXAOL-UHFFFAOYSA-N -1 1 366.389 3.102 20 30 FGEDMM N#Cc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000543163745 503653519 /nfs/dbraw/zinc/65/35/19/503653519.db2.gz GGBJIULHGAVCJT-UHFFFAOYSA-N -1 1 357.366 3.294 20 30 FGEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000540132183 503684220 /nfs/dbraw/zinc/68/42/20/503684220.db2.gz PLDUYTOIHRJXPT-UHFFFAOYSA-N -1 1 356.447 3.278 20 30 FGEDMM CC1CC(C#N)(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000531812415 504432415 /nfs/dbraw/zinc/43/24/15/504432415.db2.gz WDXXATKQVIAJKG-UHFFFAOYSA-N -1 1 369.446 3.366 20 30 FGEDMM C=CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000553127284 504832902 /nfs/dbraw/zinc/83/29/02/504832902.db2.gz QDIJHPSTTFOJCK-UHFFFAOYSA-N -1 1 369.446 3.029 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)o1 ZINC000561477377 505357046 /nfs/dbraw/zinc/35/70/46/505357046.db2.gz QKBLTFQJUXWTNC-GFCCVEGCSA-N -1 1 354.840 3.320 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(OC(F)F)ccc32)o1 ZINC000561504454 505363505 /nfs/dbraw/zinc/36/35/05/505363505.db2.gz AJSVKAKIPHDDGA-CQSZACIVSA-N -1 1 368.361 3.109 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000561512943 505365523 /nfs/dbraw/zinc/36/55/23/505365523.db2.gz SWXYCQQSPCLYJF-LBPRGKRZSA-N -1 1 357.218 3.424 20 30 FGEDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000561562514 505378713 /nfs/dbraw/zinc/37/87/13/505378713.db2.gz YEYJGKAAQAZGHL-XXFAHNHDSA-N -1 1 366.801 3.151 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589195019 506477267 /nfs/dbraw/zinc/47/72/67/506477267.db2.gz BRFCOKWQCHRDQM-QZTJIDSGSA-N -1 1 373.815 3.232 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1F ZINC000589594375 506594599 /nfs/dbraw/zinc/59/45/99/506594599.db2.gz HDXWNYNGUNKOBL-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM N#CCc1ccc(CS(=O)(=O)c2nc(-c3ccc(Cl)cc3)n[n-]2)cc1 ZINC000583123933 506602491 /nfs/dbraw/zinc/60/24/91/506602491.db2.gz PPXJBSAOFZPXRV-UHFFFAOYSA-N -1 1 372.837 3.165 20 30 FGEDMM N#CCc1ccc(CS(=O)(=O)c2n[n-]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000583123933 506602498 /nfs/dbraw/zinc/60/24/98/506602498.db2.gz PPXJBSAOFZPXRV-UHFFFAOYSA-N -1 1 372.837 3.165 20 30 FGEDMM COc1cc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)ccc1C#N ZINC000589961476 506688964 /nfs/dbraw/zinc/68/89/64/506688964.db2.gz PLEKDIDJOWVVNJ-UHFFFAOYSA-N -1 1 350.296 3.221 20 30 FGEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000589963659 506689810 /nfs/dbraw/zinc/68/98/10/506689810.db2.gz UWDFTHGOMRLJGJ-UHFFFAOYSA-N -1 1 361.398 3.073 20 30 FGEDMM C[C@@H]1CC(=O)N(C)c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc21 ZINC000600665713 507054376 /nfs/dbraw/zinc/05/43/76/507054376.db2.gz WCYRHWVDNDENFZ-CYBMUJFWSA-N -1 1 369.446 3.023 20 30 FGEDMM C[C@@H](C#N)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000598123788 507270021 /nfs/dbraw/zinc/27/00/21/507270021.db2.gz LUMZESSCKJIKIA-AWEZNQCLSA-N -1 1 369.446 3.004 20 30 FGEDMM CC1(C2([N-]S(=O)(=O)c3cc(Br)c(C#N)cc3F)CC2)CC1 ZINC000584332786 507284467 /nfs/dbraw/zinc/28/44/67/507284467.db2.gz XMHUDGCEIVWOOQ-UHFFFAOYSA-N -1 1 373.247 3.071 20 30 FGEDMM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614366348 507480236 /nfs/dbraw/zinc/48/02/36/507480236.db2.gz GNVFIVPNCYBBMX-FQEVSTJZSA-N -1 1 366.417 3.094 20 30 FGEDMM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2[C@@H](C)C1 ZINC000598837404 507629082 /nfs/dbraw/zinc/62/90/82/507629082.db2.gz DKAJWQQMRYCRNL-UWVGGRQHSA-N -1 1 358.471 3.299 20 30 FGEDMM COc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(C(F)(F)F)c1 ZINC000614715028 507631899 /nfs/dbraw/zinc/63/18/99/507631899.db2.gz WPXVIORRSVBCJJ-UHFFFAOYSA-N -1 1 350.296 3.221 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc(F)c(F)cc2Br)c1 ZINC000588041260 507742783 /nfs/dbraw/zinc/74/27/83/507742783.db2.gz CAXMPTXVNOMZQE-UHFFFAOYSA-N -1 1 367.149 3.235 20 30 FGEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(F)c1 ZINC000588114637 507764808 /nfs/dbraw/zinc/76/48/08/507764808.db2.gz DIRBDHRRPFMXGB-UHFFFAOYSA-N -1 1 360.744 3.107 20 30 FGEDMM C=CCCOCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000607622236 507778255 /nfs/dbraw/zinc/77/82/55/507778255.db2.gz YTXPHQSLHRWBDH-UHFFFAOYSA-N -1 1 360.435 3.019 20 30 FGEDMM Cc1ccc([N+](=O)[O-])cc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735450708 598824052 /nfs/dbraw/zinc/82/40/52/598824052.db2.gz CITYPEAOPZIJSL-UHFFFAOYSA-N -1 1 370.373 3.031 20 30 FGEDMM N#Cc1ccc([C@H](NCc2cccnc2OC2CCCC2)C(=O)[O-])cc1 ZINC000739106662 600594186 /nfs/dbraw/zinc/59/41/86/600594186.db2.gz OGGPFDHMGKBPCK-SFHVURJKSA-N -1 1 351.406 3.190 20 30 FGEDMM Cc1oc(C(=O)[O-])cc1CON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000833025030 601056462 /nfs/dbraw/zinc/05/64/62/601056462.db2.gz CWAPEXKXIZLXQK-UHFFFAOYSA-N -1 1 357.410 3.114 20 30 FGEDMM CC(C)CC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826753959 601302927 /nfs/dbraw/zinc/30/29/27/601302927.db2.gz HVRHSZHNWSWJFW-FQEVSTJZSA-N -1 1 365.433 3.458 20 30 FGEDMM N#Cc1ccc(CN2CCC3(C2)CCN(C(=O)[O-])CC3)c(OC(F)F)c1 ZINC000833971289 605902441 /nfs/dbraw/zinc/90/24/41/605902441.db2.gz CXVFLVWCMZHRHC-UHFFFAOYSA-N -1 1 365.380 3.126 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000820842022 606613660 /nfs/dbraw/zinc/61/36/60/606613660.db2.gz IPDWLMAXTPEMCO-GFCCVEGCSA-N -1 1 367.340 3.257 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000820842022 606613661 /nfs/dbraw/zinc/61/36/61/606613661.db2.gz IPDWLMAXTPEMCO-GFCCVEGCSA-N -1 1 367.340 3.257 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3c(s2)CCC3)o1 ZINC000819782417 606988432 /nfs/dbraw/zinc/98/84/32/606988432.db2.gz LXMIHBKXLNQWTR-UHFFFAOYSA-N -1 1 371.470 3.440 20 30 FGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000825605635 608091937 /nfs/dbraw/zinc/09/19/37/608091937.db2.gz ZJMSRSBKRDAJSJ-GQCTYLIASA-N -1 1 370.434 3.369 20 30 FGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000825605635 608091938 /nfs/dbraw/zinc/09/19/38/608091938.db2.gz ZJMSRSBKRDAJSJ-GQCTYLIASA-N -1 1 370.434 3.369 20 30 FGEDMM Cc1cn2c(/C=C/C(=O)c3ccc(-c4nn[n-]n4)s3)c(C)nc2s1 ZINC000826317012 608093801 /nfs/dbraw/zinc/09/38/01/608093801.db2.gz IVGZWESIXNFMDK-ONEGZZNKSA-N -1 1 356.436 3.150 20 30 FGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000037395858 695754593 /nfs/dbraw/zinc/75/45/93/695754593.db2.gz JYWKWWRXWUKRAM-UHFFFAOYSA-N -1 1 366.236 3.240 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)CC#N)cc1 ZINC000113689964 700574393 /nfs/dbraw/zinc/57/43/93/700574393.db2.gz HPHAYCXCKWOXEA-CQSZACIVSA-N -1 1 358.419 3.255 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C(C)(C)C)s2)cc1 ZINC000119923422 700643210 /nfs/dbraw/zinc/64/32/10/700643210.db2.gz UURHWICKIROWHX-CYBMUJFWSA-N -1 1 357.435 3.410 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1Cl ZINC000178707411 705673895 /nfs/dbraw/zinc/67/38/95/705673895.db2.gz NEKBZNHLTUFRRT-NSHDSACASA-N -1 1 363.826 3.383 20 30 FGEDMM CCc1nnc([N-]C(=O)c2occc2COc2cccc(C#N)c2)s1 ZINC000522486505 714190421 /nfs/dbraw/zinc/19/04/21/714190421.db2.gz HXXMVJISTWPDBN-UHFFFAOYSA-N -1 1 354.391 3.396 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3cc(Br)ccc3C2)c1 ZINC000616480269 714589001 /nfs/dbraw/zinc/58/90/01/714589001.db2.gz CCXDEPKLADDESE-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1OC(C)C ZINC000619463835 714839194 /nfs/dbraw/zinc/83/91/94/714839194.db2.gz LYKFDBGMOZTYDH-UHFFFAOYSA-N -1 1 360.435 3.349 20 30 FGEDMM COc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000619668469 714860951 /nfs/dbraw/zinc/86/09/51/714860951.db2.gz JACVEVXKWVPEMZ-UHFFFAOYSA-N -1 1 372.324 3.266 20 30 FGEDMM C[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1nc(C(F)(F)F)no1 ZINC000627816700 716074513 /nfs/dbraw/zinc/07/45/13/716074513.db2.gz SRNAJUKMICVGQU-VKHMYHEASA-N -1 1 357.185 3.136 20 30 FGEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCC(C)(C)C#N ZINC000783079023 724721651 /nfs/dbraw/zinc/72/16/51/724721651.db2.gz CPIOHNQFROUGBF-UHFFFAOYSA-N -1 1 352.456 3.325 20 30 FGEDMM C#CCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000727040548 722440493 /nfs/dbraw/zinc/44/04/93/722440493.db2.gz IAQXBYIHVYHYHY-UHFFFAOYSA-N -1 1 357.431 3.366 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)C(C)(C)c1ccc(F)cc1 ZINC000734978270 722511612 /nfs/dbraw/zinc/51/16/12/722511612.db2.gz AXANIGZAXAERIG-UHFFFAOYSA-N -1 1 359.426 3.218 20 30 FGEDMM CC(C)C(Cc1ccc(F)cc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000743436344 722567441 /nfs/dbraw/zinc/56/74/41/722567441.db2.gz WFBHASXHFHFTDS-UHFFFAOYSA-N -1 1 359.426 3.119 20 30 FGEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000757450538 722976408 /nfs/dbraw/zinc/97/64/08/722976408.db2.gz CORMEPDILWDBRD-UHFFFAOYSA-N -1 1 352.253 3.323 20 30 FGEDMM CC#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000760293577 723047296 /nfs/dbraw/zinc/04/72/96/723047296.db2.gz AAHBMZVIHRKLLG-UHFFFAOYSA-N -1 1 361.394 3.197 20 30 FGEDMM C#C[C@H](CCC)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000791202911 723219817 /nfs/dbraw/zinc/21/98/17/723219817.db2.gz WAWJSXJRGNVCDX-MRXNPFEDSA-N -1 1 356.447 3.019 20 30 FGEDMM CC#CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000763903089 723377939 /nfs/dbraw/zinc/37/79/39/723377939.db2.gz QAVJLGNDKVWSCI-UHFFFAOYSA-N -1 1 362.838 3.411 20 30 FGEDMM O=C(/C=C\c1ncc(I)s1)c1cc(O)ccc1[O-] ZINC000794702292 723541687 /nfs/dbraw/zinc/54/16/87/723541687.db2.gz OSPVCGVGPSIIEE-ARJAWSKDSA-N -1 1 373.171 3.055 20 30 FGEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000766473330 723575858 /nfs/dbraw/zinc/57/58/58/723575858.db2.gz CMRREZLNUXLITE-UHFFFAOYSA-N -1 1 367.217 3.376 20 30 FGEDMM C#C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000770359707 723711960 /nfs/dbraw/zinc/71/19/60/723711960.db2.gz AVTJSDDHDPPGQS-LURJTMIESA-N -1 1 357.056 3.056 20 30 FGEDMM COC[C@H](C)NC(=S)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774573690 723907588 /nfs/dbraw/zinc/90/75/88/723907588.db2.gz PCFSMENFCVFQRH-JTQLQIEISA-N -1 1 351.859 3.032 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000776347323 724134858 /nfs/dbraw/zinc/13/48/58/724134858.db2.gz ZHONDIAIKZYXLC-HNNXBMFYSA-N -1 1 351.189 3.034 20 30 FGEDMM C=CCSc1ccccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000777077707 724214270 /nfs/dbraw/zinc/21/42/70/724214270.db2.gz XNQIDZKQYXOZKL-UHFFFAOYSA-N -1 1 355.415 3.078 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000777924762 724271409 /nfs/dbraw/zinc/27/14/09/724271409.db2.gz TWNWANJMURLEPD-UHFFFAOYSA-N -1 1 366.370 3.408 20 30 FGEDMM COC(=O)c1ccc([C@@H]([N-]C(=O)[C@H](F)C(F)(F)F)C(F)(F)F)cc1 ZINC000811163104 725348417 /nfs/dbraw/zinc/34/84/17/725348417.db2.gz RRKIISKXVZXMFG-DTWKUNHWSA-N -1 1 361.213 3.093 20 30 FGEDMM N#C[C@H](C(=O)CC1(C#N)CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000815899251 727105745 /nfs/dbraw/zinc/10/57/45/727105745.db2.gz KKCAQFRFACXDCK-LLVKDONJSA-N -1 1 352.419 3.146 20 30 FGEDMM N#Cc1csc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC000817417703 727249328 /nfs/dbraw/zinc/24/93/28/727249328.db2.gz SGZMKLJQOVVFNQ-CYBMUJFWSA-N -1 1 365.380 3.230 20 30 FGEDMM O=c1nc(N=NC2CCC[C@@H](c3ccc(Cl)cc3)C2)nc2[nH][n-]cc1-2 ZINC000841625292 730260679 /nfs/dbraw/zinc/26/06/79/730260679.db2.gz ZSACEZWHLZPBDX-LLVKDONJSA-N -1 1 356.817 3.211 20 30 FGEDMM C#CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000849344071 731250643 /nfs/dbraw/zinc/25/06/43/731250643.db2.gz AXMXAEGJXGNXDO-IAQYHMDHSA-N -1 1 354.219 3.449 20 30 FGEDMM N#C[C@H](C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850738833 731383628 /nfs/dbraw/zinc/38/36/28/731383628.db2.gz FVLCPKLJWJJCOJ-MPPDQPJWSA-N -1 1 353.447 3.498 20 30 FGEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000859426467 732327301 /nfs/dbraw/zinc/32/73/01/732327301.db2.gz SFSBVGWTPBVXDM-SNVBAGLBSA-N -1 1 370.685 3.354 20 30 FGEDMM CC(C)C1N=NC(=S)N1N=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872332321 735616525 /nfs/dbraw/zinc/61/65/25/735616525.db2.gz ILPUQKGPMGPTMR-UHFFFAOYSA-N -1 1 368.488 3.376 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@H]1CCC(F)(F)C1 ZINC000872338014 735617021 /nfs/dbraw/zinc/61/70/21/735617021.db2.gz LYKOTWLZZDOMMI-JTQLQIEISA-N -1 1 370.381 3.293 20 30 FGEDMM CC(C)COC[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccco1 ZINC000914031438 757669467 /nfs/dbraw/zinc/66/94/67/757669467.db2.gz XXTOUOQQAHYALA-HNNXBMFYSA-N -1 1 368.480 3.046 20 30 FGEDMM CS(=O)(=O)c1ccc(NN=Cc2ccc([O-])c(Br)c2)cc1 ZINC000914835366 757847674 /nfs/dbraw/zinc/84/76/74/757847674.db2.gz DMGFGJZFSRFDEO-UHFFFAOYSA-N -1 1 369.240 3.004 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc(-c4ccccc4)cc3C#N)nn21 ZINC000077687498 494143980 /nfs/dbraw/zinc/14/39/80/494143980.db2.gz WLKMLMHEZBTCPW-UHFFFAOYSA-N -1 1 360.402 3.285 20 30 FGEDMM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2NC1=O ZINC000041497816 494165153 /nfs/dbraw/zinc/16/51/53/494165153.db2.gz FSROKNZTWJLRNY-ZYHUDNBSSA-N -1 1 362.414 3.486 20 30 FGEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000073927057 494450095 /nfs/dbraw/zinc/45/00/95/494450095.db2.gz PVPYEIITKCJMNG-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@H](C)C#N)cc1 ZINC000068082076 494755519 /nfs/dbraw/zinc/75/55/19/494755519.db2.gz OQLLBPWSZIBRGI-CYBMUJFWSA-N -1 1 373.482 3.015 20 30 FGEDMM CCCN(CC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094034680 494942331 /nfs/dbraw/zinc/94/23/31/494942331.db2.gz LGCBERVKTRKJPY-UHFFFAOYSA-N -1 1 373.359 3.298 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCCC)cc2)c1 ZINC000133050564 494961430 /nfs/dbraw/zinc/96/14/30/494961430.db2.gz AGIISZNKANOPAA-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1 ZINC000111995045 495135064 /nfs/dbraw/zinc/13/50/64/495135064.db2.gz JTXHOHBMCKWWSN-UHFFFAOYSA-N -1 1 359.410 3.154 20 30 FGEDMM N#CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000124627596 495318625 /nfs/dbraw/zinc/31/86/25/495318625.db2.gz KVEGPRYNUODRBP-HNNXBMFYSA-N -1 1 354.353 3.427 20 30 FGEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000161007868 496084131 /nfs/dbraw/zinc/08/41/31/496084131.db2.gz WVIAYZIFKFRUIU-UHFFFAOYSA-N -1 1 362.426 3.241 20 30 FGEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000183733973 496096392 /nfs/dbraw/zinc/09/63/92/496096392.db2.gz ZHGTWMSXSDTHBB-CQSZACIVSA-N -1 1 368.842 3.033 20 30 FGEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000152772877 496252346 /nfs/dbraw/zinc/25/23/46/496252346.db2.gz JYLGSDAKWHWERW-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177924459 496253157 /nfs/dbraw/zinc/25/31/57/496253157.db2.gz CWDJEAFAEPJCAT-UHFFFAOYSA-N -1 1 369.368 3.444 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000172589945 496354895 /nfs/dbraw/zinc/35/48/95/496354895.db2.gz LLNYNKOIZLLVRK-UHFFFAOYSA-N -1 1 372.450 3.197 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(F)c1 ZINC000157984377 496600968 /nfs/dbraw/zinc/60/09/68/496600968.db2.gz QPZMGNWDZYPOQJ-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cnc2n(C)[n-]cc-2c1=O ZINC000181974249 496619319 /nfs/dbraw/zinc/61/93/19/496619319.db2.gz FBBMYXXNRRBWLE-NSHDSACASA-N -1 1 367.434 3.178 20 30 FGEDMM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185034075 496630523 /nfs/dbraw/zinc/63/05/23/496630523.db2.gz JZGFTYNYOBFTLW-LURJTMIESA-N -1 1 372.071 3.194 20 30 FGEDMM C=C(C)COc1cc(CNCc2ccc(C(=O)[O-])c(C)n2)ccc1OC ZINC000277545128 496808689 /nfs/dbraw/zinc/80/86/89/496808689.db2.gz ZVQZUYPPZCJZDG-UHFFFAOYSA-N -1 1 356.422 3.342 20 30 FGEDMM CC(C)(C#N)CCCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195112844 496824829 /nfs/dbraw/zinc/82/48/29/496824829.db2.gz QHCRNPSJTMMERD-UHFFFAOYSA-N -1 1 352.847 3.229 20 30 FGEDMM CC(C)(C#N)CCCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1 ZINC000195112844 496824833 /nfs/dbraw/zinc/82/48/33/496824833.db2.gz QHCRNPSJTMMERD-UHFFFAOYSA-N -1 1 352.847 3.229 20 30 FGEDMM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188572904 496836255 /nfs/dbraw/zinc/83/62/55/496836255.db2.gz UACQUPOPRNOOHG-AWEZNQCLSA-N -1 1 369.852 3.436 20 30 FGEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000191887825 496921147 /nfs/dbraw/zinc/92/11/47/496921147.db2.gz FNSQLOYWCQUJSS-UHFFFAOYSA-N -1 1 350.827 3.201 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1 ZINC000264608558 496942306 /nfs/dbraw/zinc/94/23/06/496942306.db2.gz HECZJCZJPXYMEA-GOSISDBHSA-N -1 1 371.462 3.074 20 30 FGEDMM CN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189018259 496979818 /nfs/dbraw/zinc/97/98/18/496979818.db2.gz SGMIRLVGGNNINQ-AEFFLSMTSA-N -1 1 373.815 3.232 20 30 FGEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000190224052 497405758 /nfs/dbraw/zinc/40/57/58/497405758.db2.gz LEBLJMABDKCSAJ-UHFFFAOYSA-N -1 1 358.419 3.039 20 30 FGEDMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190630377 497552685 /nfs/dbraw/zinc/55/26/85/497552685.db2.gz VZENRMIHNVLKBO-LLVKDONJSA-N -1 1 359.223 3.387 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCCC#N)cc2)c1 ZINC000273088671 497797780 /nfs/dbraw/zinc/79/77/80/497797780.db2.gz KMIBUFURKBCHKH-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000285169113 498012096 /nfs/dbraw/zinc/01/20/96/498012096.db2.gz TUEIXWZMCBAOKE-GFCCVEGCSA-N -1 1 353.296 3.058 20 30 FGEDMM COc1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)cc(Cl)c1[O-] ZINC000331155874 498263176 /nfs/dbraw/zinc/26/31/76/498263176.db2.gz VQYSGTLUFRZYHZ-UHFFFAOYSA-N -1 1 366.767 3.386 20 30 FGEDMM C=CCN(CCC#N)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000293757945 498479396 /nfs/dbraw/zinc/47/93/96/498479396.db2.gz MRLMCFOZSWJAHV-UHFFFAOYSA-N -1 1 371.315 3.045 20 30 FGEDMM C=CCn1c(COCC)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000581694640 506046163 /nfs/dbraw/zinc/04/61/63/506046163.db2.gz ABPHMGOZIOYDAT-SUMWQHHRSA-N -1 1 364.877 3.264 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@H](C)[C@@H](C)CC4)nn21 ZINC000297987207 498629828 /nfs/dbraw/zinc/62/98/28/498629828.db2.gz XNGWMPFDXGBBAP-GXSJLCMTSA-N -1 1 366.450 3.304 20 30 FGEDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000290658290 498636043 /nfs/dbraw/zinc/63/60/43/498636043.db2.gz NOXIYCLROPQPFO-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000572908428 506080520 /nfs/dbraw/zinc/08/05/20/506080520.db2.gz FRGZPKOZFXGBEK-SNVBAGLBSA-N -1 1 358.341 3.080 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1 ZINC000314851898 498779948 /nfs/dbraw/zinc/77/99/48/498779948.db2.gz MUQZZEWKZKEMHB-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000321148488 498812665 /nfs/dbraw/zinc/81/26/65/498812665.db2.gz GICAFMGFXIUGFA-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000321248996 498812757 /nfs/dbraw/zinc/81/27/57/498812757.db2.gz JUXXIFZKFKJRAP-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM N#Cc1cccc(C=CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000363852478 499025799 /nfs/dbraw/zinc/02/57/99/499025799.db2.gz ICUCOMAUETVXIC-RUDMXATFSA-N -1 1 360.413 3.399 20 30 FGEDMM C=CCCCCCN(C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000573145347 506128589 /nfs/dbraw/zinc/12/85/89/506128589.db2.gz YECRURKRDBETBY-UHFFFAOYSA-N -1 1 369.487 3.277 20 30 FGEDMM Cc1ccc(-c2cnccn2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000373510353 499474059 /nfs/dbraw/zinc/47/40/59/499474059.db2.gz SWKUSVUHDQLLGQ-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@H](C)C[C@@H](C)C4)nn21 ZINC000411015456 499690424 /nfs/dbraw/zinc/69/04/24/499690424.db2.gz QMWQKYSQZCJMIR-NXEZZACHSA-N -1 1 366.450 3.304 20 30 FGEDMM C[C@H]1Cc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c(C#N)c2[C@H](C)C1 ZINC000411025256 499690745 /nfs/dbraw/zinc/69/07/45/499690745.db2.gz ZZOGXYMXVAJEMS-RKDXNWHRSA-N -1 1 359.411 3.200 20 30 FGEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000425182197 500038659 /nfs/dbraw/zinc/03/86/59/500038659.db2.gz ZGKQODGAALCNFP-CABZTGNLSA-N -1 1 369.792 3.228 20 30 FGEDMM C=CCC1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CCOCC1 ZINC000425256061 500057975 /nfs/dbraw/zinc/05/79/75/500057975.db2.gz OHSJVDXCVVNISH-UHFFFAOYSA-N -1 1 362.817 3.142 20 30 FGEDMM C=CCC1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CCOCC1 ZINC000425256061 500057976 /nfs/dbraw/zinc/05/79/76/500057976.db2.gz OHSJVDXCVVNISH-UHFFFAOYSA-N -1 1 362.817 3.142 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000416959983 500167101 /nfs/dbraw/zinc/16/71/01/500167101.db2.gz QIXRTBZTJGFQQT-SNVBAGLBSA-N -1 1 367.254 3.062 20 30 FGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(S(C)(=O)=O)c2)s1 ZINC000430597134 500260566 /nfs/dbraw/zinc/26/05/66/500260566.db2.gz PRAQMLWXCXIUJR-CYBMUJFWSA-N -1 1 362.476 3.334 20 30 FGEDMM C=CCc1cc(CN[C@H](C(=O)[O-])c2ccccc2OC)cc(OC)c1O ZINC000426824052 500325533 /nfs/dbraw/zinc/32/55/33/500325533.db2.gz LCJPKNZLDCKGPJ-SFHVURJKSA-N -1 1 357.406 3.053 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1F ZINC000427107191 500354229 /nfs/dbraw/zinc/35/42/29/500354229.db2.gz KXOXFOADRZVYJT-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OC(C)C ZINC000427295880 500378838 /nfs/dbraw/zinc/37/88/38/500378838.db2.gz LMMCSAJCOPIRQL-UHFFFAOYSA-N -1 1 364.398 3.294 20 30 FGEDMM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431621899 500399512 /nfs/dbraw/zinc/39/95/12/500399512.db2.gz NAEHBWXQQWQZGA-AWEZNQCLSA-N -1 1 356.781 3.496 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc2cccnc21 ZINC000427627157 500413080 /nfs/dbraw/zinc/41/30/80/500413080.db2.gz XPQJXWXSULOHHZ-UHFFFAOYSA-N -1 1 357.366 3.055 20 30 FGEDMM C=CCCCS(=O)(=O)[N-]c1cccc(-c2cc(OC)cc(OC)c2)n1 ZINC000427779471 500431546 /nfs/dbraw/zinc/43/15/46/500431546.db2.gz OJVJTEVHMCIORZ-UHFFFAOYSA-N -1 1 362.451 3.474 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432761113 500559101 /nfs/dbraw/zinc/55/91/01/500559101.db2.gz YSEJBEMTAFMZDZ-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Br ZINC000432776873 500561830 /nfs/dbraw/zinc/56/18/30/500561830.db2.gz BBPWWSDUNXZRAO-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1 ZINC000447786239 500661419 /nfs/dbraw/zinc/66/14/19/500661419.db2.gz LGJHGZYGEPZQKG-UHFFFAOYSA-N -1 1 356.325 3.294 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1[O-] ZINC000443069406 500674277 /nfs/dbraw/zinc/67/42/77/500674277.db2.gz JUOOGHKWNZXMNJ-INIZCTEOSA-N -1 1 359.389 3.026 20 30 FGEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433436685 500693510 /nfs/dbraw/zinc/69/35/10/500693510.db2.gz XPUXFFVMWDSDBI-UHFFFAOYSA-N -1 1 374.709 3.035 20 30 FGEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443404428 500719206 /nfs/dbraw/zinc/71/92/06/500719206.db2.gz FTJQKCQGSRKSRK-UHFFFAOYSA-N -1 1 351.309 3.250 20 30 FGEDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000443934825 500779951 /nfs/dbraw/zinc/77/99/51/500779951.db2.gz JOLRDTNTABCPSQ-QPUJVOFHSA-N -1 1 354.781 3.467 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)s1 ZINC000435491278 500985281 /nfs/dbraw/zinc/98/52/81/500985281.db2.gz SJTGHJUKEFJONA-UHFFFAOYSA-N -1 1 370.839 3.235 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)ccc1C#N ZINC000435719929 501017433 /nfs/dbraw/zinc/01/74/33/501017433.db2.gz RUZPSEKALXNDCZ-SFHVURJKSA-N -1 1 372.446 3.225 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1OC(F)(F)F ZINC000442218457 501208863 /nfs/dbraw/zinc/20/88/63/501208863.db2.gz WYUSTNSGIDWGDG-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM COc1cc(-c2noc(CC(C)(C)C#N)n2)cc(Br)c1[O-] ZINC000436876815 501226030 /nfs/dbraw/zinc/22/60/30/501226030.db2.gz BLOKCOMIDJJWTP-UHFFFAOYSA-N -1 1 352.188 3.306 20 30 FGEDMM C[C@]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)(C1CC1)C(F)(F)F ZINC000450997280 501237818 /nfs/dbraw/zinc/23/78/18/501237818.db2.gz JSDHERKSSFSEFI-ZDUSSCGKSA-N -1 1 366.792 3.415 20 30 FGEDMM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000477839069 501804560 /nfs/dbraw/zinc/80/45/60/501804560.db2.gz XTABLBJAIXRWJC-NSHDSACASA-N -1 1 361.327 3.131 20 30 FGEDMM C=CCCCCCN(C)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000475390443 502157411 /nfs/dbraw/zinc/15/74/11/502157411.db2.gz RKRRVGYJLABZPO-UHFFFAOYSA-N -1 1 369.487 3.277 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000479141973 502175470 /nfs/dbraw/zinc/17/54/70/502175470.db2.gz IKJOGGXBOZAJNW-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM C[C@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccc(C#N)c1 ZINC000462235231 502363251 /nfs/dbraw/zinc/36/32/51/502363251.db2.gz DUIMOXCPOPBDSR-NSHDSACASA-N -1 1 352.344 3.391 20 30 FGEDMM CC(C)(C#N)CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000469515242 502447871 /nfs/dbraw/zinc/44/78/71/502447871.db2.gz JTUGZUMHPMZLFW-UHFFFAOYSA-N -1 1 357.435 3.366 20 30 FGEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc2cc(F)ccc2s1 ZINC000592974215 506317280 /nfs/dbraw/zinc/31/72/80/506317280.db2.gz PXMVAJOYGAZYDZ-NSHDSACASA-N -1 1 367.361 3.256 20 30 FGEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000476605827 502539984 /nfs/dbraw/zinc/53/99/84/502539984.db2.gz YYLUWZCLXRDKJW-ZCFIWIBFSA-N -1 1 353.259 3.321 20 30 FGEDMM C=CCCC1(C(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)CC1 ZINC000477127534 502685262 /nfs/dbraw/zinc/68/52/62/502685262.db2.gz LWFSSABVXJCSFL-UHFFFAOYSA-N -1 1 368.437 3.011 20 30 FGEDMM C=CCCN(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000467106647 502788242 /nfs/dbraw/zinc/78/82/42/502788242.db2.gz VXVNRGCCSGTNMN-UHFFFAOYSA-N -1 1 373.478 3.205 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1Cl ZINC000509376543 502886931 /nfs/dbraw/zinc/88/69/31/502886931.db2.gz AZNGKGTTXANRHX-UHFFFAOYSA-N -1 1 363.826 3.165 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000498096139 503105692 /nfs/dbraw/zinc/10/56/92/503105692.db2.gz WXZWQOIIQKLPFR-NSHDSACASA-N -1 1 364.448 3.187 20 30 FGEDMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1OC ZINC000494422973 503539282 /nfs/dbraw/zinc/53/92/82/503539282.db2.gz RFGGQTPQUOEWHW-UHFFFAOYSA-N -1 1 370.789 3.169 20 30 FGEDMM N#Cc1ccc(Oc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2)nc1 ZINC000518971734 504107334 /nfs/dbraw/zinc/10/73/34/504107334.db2.gz RMRSNVFBBBAKON-UHFFFAOYSA-N -1 1 374.282 3.135 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)[n-]c(=O)c1C ZINC000539616837 504628787 /nfs/dbraw/zinc/62/87/87/504628787.db2.gz LCFWEWWKSFHPBG-AWEZNQCLSA-N -1 1 356.451 3.227 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)o1 ZINC000553422043 504910294 /nfs/dbraw/zinc/91/02/94/504910294.db2.gz RTOSSSDUYKKURW-UHFFFAOYSA-N -1 1 357.218 3.426 20 30 FGEDMM CSc1nc(C)c(CCC(=O)N(CCC#N)c2ccc(F)cc2)c(=O)[n-]1 ZINC000553818320 505018675 /nfs/dbraw/zinc/01/86/75/505018675.db2.gz KGBKEYFIFWVLFO-UHFFFAOYSA-N -1 1 374.441 3.231 20 30 FGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(Cl)c1F ZINC000553862413 505027367 /nfs/dbraw/zinc/02/73/67/505027367.db2.gz WXVHEBXWVSZLEA-UHFFFAOYSA-N -1 1 356.806 3.200 20 30 FGEDMM C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000561803815 505441028 /nfs/dbraw/zinc/44/10/28/505441028.db2.gz AZPQZAOWYIOAMA-LBPRGKRZSA-N -1 1 373.815 3.407 20 30 FGEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000564644927 505480948 /nfs/dbraw/zinc/48/09/48/505480948.db2.gz YLRVDNGDUMCSGU-LURJTMIESA-N -1 1 372.071 3.336 20 30 FGEDMM COc1ccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cc1OC(F)F ZINC000589168513 506467593 /nfs/dbraw/zinc/46/75/93/506467593.db2.gz VTXDJUJQEPNLLG-UHFFFAOYSA-N -1 1 362.332 3.146 20 30 FGEDMM Cn1ccnc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000589166344 506467680 /nfs/dbraw/zinc/46/76/80/506467680.db2.gz HYPBXOIXVIHUGV-QGZVFWFLSA-N -1 1 366.808 3.170 20 30 FGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CC3(CCC3)C2)cc1Br ZINC000593663310 506719470 /nfs/dbraw/zinc/71/94/70/506719470.db2.gz SIEMMKWNJSFRBG-UHFFFAOYSA-N -1 1 373.247 3.071 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2cnc(SC3CCCC3)nc2)c1 ZINC000590525561 506849578 /nfs/dbraw/zinc/84/95/78/506849578.db2.gz QCOISGYMQKOFFV-UHFFFAOYSA-N -1 1 368.462 3.061 20 30 FGEDMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2[nH]c1=O ZINC000590597549 506874107 /nfs/dbraw/zinc/87/41/07/506874107.db2.gz BUMPHTNUGWPKSZ-UHFFFAOYSA-N -1 1 373.821 3.162 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000598016953 507218788 /nfs/dbraw/zinc/21/87/88/507218788.db2.gz VEDFKRHTBUJCKR-FQEVSTJZSA-N -1 1 370.836 3.439 20 30 FGEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594720624 507252855 /nfs/dbraw/zinc/25/28/55/507252855.db2.gz LZOQAZUDOOYQCR-LURJTMIESA-N -1 1 372.071 3.336 20 30 FGEDMM CSc1nc([O-])c(C(=O)N=c2cc(C)n(C3CCCCC3)[nH]2)cc1C#N ZINC000584443687 507346172 /nfs/dbraw/zinc/34/61/72/507346172.db2.gz KIRWJCOYJLIFPA-UHFFFAOYSA-N -1 1 371.466 3.065 20 30 FGEDMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000610710987 507359358 /nfs/dbraw/zinc/35/93/58/507359358.db2.gz WGNWZXDJMAOMAN-NSHDSACASA-N -1 1 366.389 3.275 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCCO[C@H]2CCCc3ccccc32)c1 ZINC000614298034 507445594 /nfs/dbraw/zinc/44/55/94/507445594.db2.gz ZDCYIRVSQYIBRZ-FQEVSTJZSA-N -1 1 350.418 3.478 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000614298449 507445703 /nfs/dbraw/zinc/44/57/03/507445703.db2.gz XLTWMYDJBIUNIZ-UHFFFAOYSA-N -1 1 361.357 3.039 20 30 FGEDMM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1C#N ZINC000614326066 507461514 /nfs/dbraw/zinc/46/15/14/507461514.db2.gz RRSQPOJHBRRAQH-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCC[C@@H]1C#N ZINC000601818565 507471684 /nfs/dbraw/zinc/47/16/84/507471684.db2.gz OHMSYIYTQPKZGK-ZWNOBZJWSA-N -1 1 374.238 3.467 20 30 FGEDMM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614366172 507481720 /nfs/dbraw/zinc/48/17/20/507481720.db2.gz CRZQFORDBWYQTG-UHFFFAOYSA-N -1 1 351.406 3.210 20 30 FGEDMM COC1(CS(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)CCC1 ZINC000601975877 507536407 /nfs/dbraw/zinc/53/64/07/507536407.db2.gz MHFCOUDPDZIKPR-CYBMUJFWSA-N -1 1 354.497 3.249 20 30 FGEDMM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2C1 ZINC000598844462 507634130 /nfs/dbraw/zinc/63/41/30/507634130.db2.gz GQOOOZYLUSEAIA-LLVKDONJSA-N -1 1 372.498 3.374 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000619461169 568324774 /nfs/dbraw/zinc/32/47/74/568324774.db2.gz LNOLOEGCNAKSJR-UHFFFAOYSA-N -1 1 356.325 3.452 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619461585 568338276 /nfs/dbraw/zinc/33/82/76/568338276.db2.gz ZPBAFMXEOVFWSH-UHFFFAOYSA-N -1 1 363.826 3.165 20 30 FGEDMM C[C@@H](CC#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735974124 598858101 /nfs/dbraw/zinc/85/81/01/598858101.db2.gz JIGCDGFTSZONPN-NSHDSACASA-N -1 1 367.340 3.257 20 30 FGEDMM C[C@@H](CC#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735974124 598858103 /nfs/dbraw/zinc/85/81/03/598858103.db2.gz JIGCDGFTSZONPN-NSHDSACASA-N -1 1 367.340 3.257 20 30 FGEDMM Cc1ccc2c(c1)C(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)CC2 ZINC000737371339 598492740 /nfs/dbraw/zinc/49/27/40/598492740.db2.gz CCLBFQFFCQGIIH-UHFFFAOYSA-N -1 1 351.414 3.223 20 30 FGEDMM N#Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000739117698 599789138 /nfs/dbraw/zinc/78/91/38/599789138.db2.gz HSXDFBVPNBHYSS-OAHLLOKOSA-N -1 1 363.186 3.375 20 30 FGEDMM COc1ccc([C@H](NCc2cc(Cl)ccc2OCC#N)C(=O)[O-])cc1 ZINC000737970188 600319148 /nfs/dbraw/zinc/31/91/48/600319148.db2.gz INFGDALBWAOVKB-KRWDZBQOSA-N -1 1 360.797 3.166 20 30 FGEDMM CC[C@H](C)NC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736886580 600594598 /nfs/dbraw/zinc/59/45/98/600594598.db2.gz KBWHIJYZMWMKAN-LIRRHRJNSA-N -1 1 365.433 3.002 20 30 FGEDMM COc1cc(F)c([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737889538 600598421 /nfs/dbraw/zinc/59/84/21/600598421.db2.gz RNTXEKXFUXUHRP-VOJFVSQTSA-N -1 1 358.369 3.191 20 30 FGEDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000832914108 600761176 /nfs/dbraw/zinc/76/11/76/600761176.db2.gz ANNVLSLCTMRZON-ZIAGYGMSSA-N -1 1 351.406 3.243 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2coc3ccccc23)o1 ZINC000824141737 607531887 /nfs/dbraw/zinc/53/18/87/607531887.db2.gz MSZKCFRATBCPKO-UHFFFAOYSA-N -1 1 351.370 3.344 20 30 FGEDMM C[C@H](Oc1ccc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)cc1)C(=O)[O-] ZINC000794886978 602070500 /nfs/dbraw/zinc/07/05/00/602070500.db2.gz CDPCRGFEKXUQSO-VIFPVBQESA-N -1 1 360.320 3.139 20 30 FGEDMM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)c2c1 ZINC000821845177 606392128 /nfs/dbraw/zinc/39/21/28/606392128.db2.gz CFPDAHVRFSRBHO-ZZXKWVIFSA-N -1 1 351.391 3.314 20 30 FGEDMM O=C(/C=C/c1ccc(-c2nn[n-]n2)s1)c1c(Cl)nc2sccn21 ZINC000822921970 606392984 /nfs/dbraw/zinc/39/29/84/606392984.db2.gz BKBWODOREFSWIO-HNQUOIGGSA-N -1 1 362.827 3.187 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCc3ccccc32)o1 ZINC000820197110 606460982 /nfs/dbraw/zinc/46/09/82/606460982.db2.gz GNBFPEBRKZIIGQ-CYBMUJFWSA-N -1 1 351.414 3.496 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cc(F)cc3F)o1 ZINC000824279985 607782814 /nfs/dbraw/zinc/78/28/14/607782814.db2.gz AEPDFOUBHRMQPS-UHFFFAOYSA-N -1 1 373.367 3.094 20 30 FGEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825639214 608092131 /nfs/dbraw/zinc/09/21/31/608092131.db2.gz VEDNAAFUXAZICW-XQRVVYSFSA-N -1 1 356.407 3.232 20 30 FGEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000825639214 608092132 /nfs/dbraw/zinc/09/21/32/608092132.db2.gz VEDNAAFUXAZICW-XQRVVYSFSA-N -1 1 356.407 3.232 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826380242 608188214 /nfs/dbraw/zinc/18/82/14/608188214.db2.gz SCGURIALBMDMJI-NWDGAFQWSA-N -1 1 371.857 3.253 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826380242 608188216 /nfs/dbraw/zinc/18/82/16/608188216.db2.gz SCGURIALBMDMJI-NWDGAFQWSA-N -1 1 371.857 3.253 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2sccc2C#N)c(-c2nnn[n-]2)s1 ZINC000824136684 608348686 /nfs/dbraw/zinc/34/86/86/608348686.db2.gz UYVZPRPEESCEED-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2sccc2C#N)c(-c2nn[n-]n2)s1 ZINC000824136684 608348687 /nfs/dbraw/zinc/34/86/87/608348687.db2.gz UYVZPRPEESCEED-UHFFFAOYSA-N -1 1 358.452 3.411 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(-c2cccs2)n1 ZINC000826360035 608755172 /nfs/dbraw/zinc/75/51/72/608755172.db2.gz VVBNAYKZNRLZIJ-PLNGDYQASA-N -1 1 368.447 3.286 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2cccs2)n1 ZINC000826360035 608755175 /nfs/dbraw/zinc/75/51/75/608755175.db2.gz VVBNAYKZNRLZIJ-PLNGDYQASA-N -1 1 368.447 3.286 20 30 FGEDMM C[C@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000113695360 700574485 /nfs/dbraw/zinc/57/44/85/700574485.db2.gz FHPPXOYIGKBUCD-GFCCVEGCSA-N -1 1 362.382 3.085 20 30 FGEDMM C#CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000156195832 705105616 /nfs/dbraw/zinc/10/56/16/705105616.db2.gz IDWKUIZPEDZZHG-UHFFFAOYSA-N -1 1 356.447 3.021 20 30 FGEDMM N#C[C@H](C(=O)[C@H]1C[C@@H]1C1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000176083497 705571282 /nfs/dbraw/zinc/57/12/82/705571282.db2.gz JYZQRFZAXIYUIR-FRRDWIJNSA-N -1 1 353.447 3.086 20 30 FGEDMM CC(C)(C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000181834212 705811091 /nfs/dbraw/zinc/81/10/91/705811091.db2.gz ZNJCDEPYDVNJQO-UHFFFAOYSA-N -1 1 362.382 3.085 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)c(Cl)c1 ZINC000186614508 712723759 /nfs/dbraw/zinc/72/37/59/712723759.db2.gz VTZNPZSQQIZVPZ-UHFFFAOYSA-N -1 1 372.631 3.170 20 30 FGEDMM C#C[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000234025649 713579326 /nfs/dbraw/zinc/57/93/26/713579326.db2.gz SBHAYPSSVVWMJZ-MRVPVSSYSA-N -1 1 371.083 3.446 20 30 FGEDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)on1 ZINC000525699423 714369103 /nfs/dbraw/zinc/36/91/03/714369103.db2.gz MBWIPNLGDLRFRQ-UHFFFAOYSA-N -1 1 351.403 3.067 20 30 FGEDMM N#Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1[O-] ZINC000615479504 714530680 /nfs/dbraw/zinc/53/06/80/714530680.db2.gz ASHZGODFPUMTMS-UWVGGRQHSA-N -1 1 352.234 3.077 20 30 FGEDMM N#Cc1ccc(C(=O)NCCCc2cccc(Br)c2)cc1[O-] ZINC000615477556 714530819 /nfs/dbraw/zinc/53/08/19/714530819.db2.gz MMCYZVMLQUPDDL-UHFFFAOYSA-N -1 1 359.223 3.389 20 30 FGEDMM C#CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000780774446 724499779 /nfs/dbraw/zinc/49/97/79/724499779.db2.gz BJHBCNOPBQDMBV-UHFFFAOYSA-N -1 1 357.056 3.058 20 30 FGEDMM CC(C)CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)cc1 ZINC000731154753 722473683 /nfs/dbraw/zinc/47/36/83/722473683.db2.gz BJLTZUUIGYBPHN-UHFFFAOYSA-N -1 1 358.833 3.338 20 30 FGEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000744495512 722577767 /nfs/dbraw/zinc/57/77/67/722577767.db2.gz NXQSRQUFWSRXLH-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM COC(=O)[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1cccc(C#N)c1 ZINC000751730721 722823927 /nfs/dbraw/zinc/82/39/27/722823927.db2.gz HHQDWSGGYXRNTH-OAHLLOKOSA-N -1 1 363.728 3.127 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000758151988 722985121 /nfs/dbraw/zinc/98/51/21/722985121.db2.gz ZGXGLJLIZCIGBC-UHFFFAOYSA-N -1 1 360.391 3.024 20 30 FGEDMM COc1ccc([O-])c(C(=O)/C=C/c2c(Br)c(C)nn2C)c1 ZINC000790601600 723157139 /nfs/dbraw/zinc/15/71/39/723157139.db2.gz VWONYJVOYDFGSP-FNORWQNLSA-N -1 1 351.200 3.101 20 30 FGEDMM N#C[C@H](C(=O)[C@@H]1CCSC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000762063392 723211741 /nfs/dbraw/zinc/21/17/41/723211741.db2.gz CMPZNBRBUPRFBM-MWLCHTKSSA-N -1 1 359.476 3.205 20 30 FGEDMM [O-]c1c(O)cc(C=NNCCc2ccccc2F)cc1Br ZINC000764724231 723440003 /nfs/dbraw/zinc/44/00/03/723440003.db2.gz UHIYVTVZKPPJEH-UHFFFAOYSA-N -1 1 353.191 3.166 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@H]1CCCSC1 ZINC000794889273 723550500 /nfs/dbraw/zinc/55/05/00/723550500.db2.gz XVDGKFKRVGLUFZ-LLVKDONJSA-N -1 1 366.468 3.000 20 30 FGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cc(O)ccc2Br)c1 ZINC000769769665 723694710 /nfs/dbraw/zinc/69/47/10/723694710.db2.gz BZDXHJZLWIROCD-KTAJNNJTSA-N -1 1 363.163 3.455 20 30 FGEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000797818398 723866340 /nfs/dbraw/zinc/86/63/40/723866340.db2.gz ZKWJDBAUXGKHCJ-UHFFFAOYSA-N -1 1 359.407 3.040 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(C2CCC2)cc1 ZINC000814864322 727006974 /nfs/dbraw/zinc/00/69/74/727006974.db2.gz ADMZOTUSXPGORL-UHFFFAOYSA-N -1 1 359.407 3.175 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCCC[C@H]2CCO2)cc1 ZINC000841623407 730260720 /nfs/dbraw/zinc/26/07/20/730260720.db2.gz HQQMTRSSDIRJSB-KRWDZBQOSA-N -1 1 359.451 3.454 20 30 FGEDMM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1nc(C2CC2)cs1 ZINC000842939441 730560427 /nfs/dbraw/zinc/56/04/27/730560427.db2.gz QKFNCBNUGZSULQ-AWEZNQCLSA-N -1 1 353.403 3.467 20 30 FGEDMM C=CCN(CC(=O)[O-])Cc1cccc(Br)c1OC(F)F ZINC000846263458 730941336 /nfs/dbraw/zinc/94/13/36/730941336.db2.gz LMPKOGIZCUCNLC-UHFFFAOYSA-N -1 1 350.159 3.123 20 30 FGEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000856315467 732008615 /nfs/dbraw/zinc/00/86/15/732008615.db2.gz NPHPUAOSCFMNGM-ROUUACIJSA-N -1 1 358.825 3.405 20 30 FGEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000856315465 732008871 /nfs/dbraw/zinc/00/88/71/732008871.db2.gz NPHPUAOSCFMNGM-MSOLQXFVSA-N -1 1 358.825 3.405 20 30 FGEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000856315970 732009093 /nfs/dbraw/zinc/00/90/93/732009093.db2.gz GCYZMMBMURMBEV-QZTJIDSGSA-N -1 1 358.825 3.405 20 30 FGEDMM C#CC[C@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000862574837 732851488 /nfs/dbraw/zinc/85/14/88/732851488.db2.gz PTXZUNDXFOAULN-NSHDSACASA-N -1 1 359.223 3.188 20 30 FGEDMM C=CCC1(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)CCOCC1 ZINC000870808157 733890146 /nfs/dbraw/zinc/89/01/46/733890146.db2.gz REDQAJHSLLLTHS-UHFFFAOYSA-N -1 1 366.483 3.061 20 30 FGEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)C1 ZINC000882231526 737435402 /nfs/dbraw/zinc/43/54/02/737435402.db2.gz AAXGLUOKKWZBSG-IUCAKERBSA-N -1 1 367.780 3.114 20 30 FGEDMM C=CCOc1c(Cl)cc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000901888654 743667687 /nfs/dbraw/zinc/66/76/87/743667687.db2.gz NLTGGXXNRWJKGF-OCCSQVGLSA-N -1 1 353.846 3.456 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCCC[C@H]2c2ccccc2)c2ccccc21 ZINC000914599257 757808614 /nfs/dbraw/zinc/80/86/14/757808614.db2.gz ALGJKDXSABLMNQ-HNNXBMFYSA-N -1 1 353.447 3.439 20 30 FGEDMM COc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(O)c1 ZINC000914693505 757820241 /nfs/dbraw/zinc/82/02/41/757820241.db2.gz FRRCCRYTFYXNFV-UHFFFAOYSA-N -1 1 372.475 3.456 20 30 FGEDMM CC(C)n1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000081719910 493945358 /nfs/dbraw/zinc/94/53/58/493945358.db2.gz POUIYFCXEKMROA-MRXNPFEDSA-N -1 1 354.479 3.279 20 30 FGEDMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000032592379 493998114 /nfs/dbraw/zinc/99/81/14/493998114.db2.gz YIDHHHLFUFPGOM-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM C=CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000007225844 494008483 /nfs/dbraw/zinc/00/84/83/494008483.db2.gz DFBDPGDHMXIUKK-UHFFFAOYSA-N -1 1 352.415 3.263 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 ZINC000041516336 494166275 /nfs/dbraw/zinc/16/62/75/494166275.db2.gz VZIDULWMGBECFQ-HUUCEWRRSA-N -1 1 355.419 3.059 20 30 FGEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1F ZINC000079009010 494391552 /nfs/dbraw/zinc/39/15/52/494391552.db2.gz NSMLGNBSBHWVDK-UHFFFAOYSA-N -1 1 358.753 3.299 20 30 FGEDMM CSc1[n-]c(=O)c(C(=O)Nc2cc(C)cc3cccnc32)cc1C#N ZINC000091794085 494683500 /nfs/dbraw/zinc/68/35/00/494683500.db2.gz HNGSJVNLWMTCHO-UHFFFAOYSA-N -1 1 350.403 3.490 20 30 FGEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000121752951 494853309 /nfs/dbraw/zinc/85/33/09/494853309.db2.gz AYNBLPDLBVIRDM-UHFFFAOYSA-N -1 1 371.396 3.398 20 30 FGEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000098106737 495055713 /nfs/dbraw/zinc/05/57/13/495055713.db2.gz RWFDKBTVSWEIAX-UHFFFAOYSA-N -1 1 366.417 3.467 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C(=O)NC(C)C ZINC000114674169 495407292 /nfs/dbraw/zinc/40/72/92/495407292.db2.gz GZEJYNXTMMFRFO-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)c(F)cc1F ZINC000155162404 495858516 /nfs/dbraw/zinc/85/85/16/495858516.db2.gz MDJLMNUZTCZLFB-UHFFFAOYSA-N -1 1 352.243 3.154 20 30 FGEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)OCO2 ZINC000180355777 495964146 /nfs/dbraw/zinc/96/41/46/495964146.db2.gz GGEXNUWIIWZCAM-UHFFFAOYSA-N -1 1 350.783 3.050 20 30 FGEDMM CC[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000183809831 496123677 /nfs/dbraw/zinc/12/36/77/496123677.db2.gz NXAHXVQDAKMORD-MRXNPFEDSA-N -1 1 371.462 3.218 20 30 FGEDMM C=C(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000161207273 496126822 /nfs/dbraw/zinc/12/68/22/496126822.db2.gz PCPSVGWXSWXFCS-UHFFFAOYSA-N -1 1 366.389 3.072 20 30 FGEDMM COC(=O)c1c[n-]c(SCC(=O)c2cn(CCC#N)c3ccccc23)n1 ZINC000187586640 496500055 /nfs/dbraw/zinc/50/00/55/496500055.db2.gz HETLVCMGHDNZFP-UHFFFAOYSA-N -1 1 368.418 3.040 20 30 FGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000157713249 496535803 /nfs/dbraw/zinc/53/58/03/496535803.db2.gz CMTWFMHSBCBRCA-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163936013 496571877 /nfs/dbraw/zinc/57/18/77/496571877.db2.gz SHZKSYUFJVVZRO-OAHLLOKOSA-N -1 1 369.490 3.427 20 30 FGEDMM CC[C@H](Cc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1)C(=O)[O-] ZINC000184904564 496579257 /nfs/dbraw/zinc/57/92/57/496579257.db2.gz DWUOVGIDVXSERO-OAHLLOKOSA-N -1 1 372.446 3.321 20 30 FGEDMM C=CC[C@@H](C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000187837528 496589807 /nfs/dbraw/zinc/58/98/07/496589807.db2.gz WLRZMBGFXFPHJG-MRXNPFEDSA-N -1 1 374.462 3.365 20 30 FGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000153964498 496637308 /nfs/dbraw/zinc/63/73/08/496637308.db2.gz BSLLYOZNHJCBTJ-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM C=CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000154132254 496692803 /nfs/dbraw/zinc/69/28/03/496692803.db2.gz NYUQTWKKALJVFR-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM C=CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000154146801 496695442 /nfs/dbraw/zinc/69/54/42/496695442.db2.gz GVWLATMZYUQKFV-UHFFFAOYSA-N -1 1 362.426 3.193 20 30 FGEDMM C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000188473108 496801551 /nfs/dbraw/zinc/80/15/51/496801551.db2.gz NFOUGOWJJOJHSN-OXQOHEQNSA-N -1 1 363.461 3.389 20 30 FGEDMM CC(C)Oc1cc(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)ccn1 ZINC000189007757 496976562 /nfs/dbraw/zinc/97/65/62/496976562.db2.gz XTXFKQVQNDPPHC-UHFFFAOYSA-N -1 1 351.406 3.251 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(Br)c1 ZINC000230332722 497104811 /nfs/dbraw/zinc/10/48/11/497104811.db2.gz QUBWPITZVRLWAD-UHFFFAOYSA-N -1 1 357.254 3.492 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000193358500 497360263 /nfs/dbraw/zinc/36/02/63/497360263.db2.gz VDFKATIWGUXBHD-UHFFFAOYSA-N -1 1 352.362 3.197 20 30 FGEDMM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000190683200 497571012 /nfs/dbraw/zinc/57/10/12/497571012.db2.gz RNDKSOVIHKAMGO-UHFFFAOYSA-N -1 1 369.643 3.214 20 30 FGEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279920008 497589184 /nfs/dbraw/zinc/58/91/84/497589184.db2.gz KOIWSIOXMNXARK-AWEZNQCLSA-N -1 1 371.462 3.082 20 30 FGEDMM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190918725 497646052 /nfs/dbraw/zinc/64/60/52/497646052.db2.gz GSHSJMWYYNBWBQ-MRXNPFEDSA-N -1 1 358.401 3.212 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000572277427 505932022 /nfs/dbraw/zinc/93/20/22/505932022.db2.gz QCJBFEJKOPYZJY-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM CC[C@H]1C[C@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC([O-])=N1 ZINC000329758317 497890754 /nfs/dbraw/zinc/89/07/54/497890754.db2.gz NMNTWBVMJCTVJL-STQMWFEESA-N -1 1 354.414 3.408 20 30 FGEDMM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000331267455 498289254 /nfs/dbraw/zinc/28/92/54/498289254.db2.gz IORMTJGKDRKZGV-GTNSWQLSSA-N -1 1 355.818 3.481 20 30 FGEDMM C=CCN(Cc1ccccc1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000361634646 498414013 /nfs/dbraw/zinc/41/40/13/498414013.db2.gz GIKNDBFVCYOSPK-UHFFFAOYSA-N -1 1 374.444 3.310 20 30 FGEDMM N#C[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC[C@@]12CCCCO2 ZINC000370627993 499237237 /nfs/dbraw/zinc/23/72/37/499237237.db2.gz UBTBBRIUWXFERF-WBVHZDCISA-N -1 1 368.355 3.478 20 30 FGEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371414746 499323301 /nfs/dbraw/zinc/32/33/01/499323301.db2.gz LOZJENIYXQDPGQ-UHFFFAOYSA-N -1 1 366.446 3.014 20 30 FGEDMM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000408395704 499586652 /nfs/dbraw/zinc/58/66/52/499586652.db2.gz WAFKBMMQHYLPHX-RQJHMYQMSA-N -1 1 369.693 3.135 20 30 FGEDMM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000408395701 499586794 /nfs/dbraw/zinc/58/67/94/499586794.db2.gz WAFKBMMQHYLPHX-NKWVEPMBSA-N -1 1 369.693 3.135 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)c3ccn(-c4cccc(C#N)c4)n3)[nH][n-]2)s1 ZINC000409621299 499609813 /nfs/dbraw/zinc/60/98/13/499609813.db2.gz RDBLGOUTQKAZPV-UHFFFAOYSA-N -1 1 374.429 3.178 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC000410977051 499688415 /nfs/dbraw/zinc/68/84/15/499688415.db2.gz BNRCVOZRSPLGMW-ZJUUUORDSA-N -1 1 372.450 3.365 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000410989152 499688868 /nfs/dbraw/zinc/68/88/68/499688868.db2.gz RGTWQNNLVCBERJ-VHSXEESVSA-N -1 1 372.450 3.365 20 30 FGEDMM COc1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC000426024125 500227131 /nfs/dbraw/zinc/22/71/31/500227131.db2.gz VWAYYFCEQGWQQJ-UHFFFAOYSA-N -1 1 374.824 3.215 20 30 FGEDMM COc1ccccc1[C@@H](NCc1cccc(OCCCC#N)c1)C(=O)[O-] ZINC000426811397 500323669 /nfs/dbraw/zinc/32/36/69/500323669.db2.gz MONPEQJEIHUHLZ-LJQANCHMSA-N -1 1 354.406 3.293 20 30 FGEDMM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1 ZINC000427099640 500353089 /nfs/dbraw/zinc/35/30/89/500353089.db2.gz IJWYHMAWCKEQPJ-UHFFFAOYSA-N -1 1 368.393 3.264 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427113623 500355423 /nfs/dbraw/zinc/35/54/23/500355423.db2.gz KHPCHYHCIISUBN-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM Cc1ncc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1C#N ZINC000427751853 500427768 /nfs/dbraw/zinc/42/77/68/500427768.db2.gz IVSCYWKYPXJNGS-UHFFFAOYSA-N -1 1 357.222 3.073 20 30 FGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442818511 500629975 /nfs/dbraw/zinc/62/99/75/500629975.db2.gz IHBGIUIYAZWXGW-UHFFFAOYSA-N -1 1 361.732 3.426 20 30 FGEDMM Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)cc1F ZINC000443052163 500669659 /nfs/dbraw/zinc/66/96/59/500669659.db2.gz PUYQNQSTEDPRPN-NSHDSACASA-N -1 1 366.352 3.252 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000443189009 500694608 /nfs/dbraw/zinc/69/46/08/500694608.db2.gz AJCIVRZIKAHIJL-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2csc(CCc3ccccc3)n2)cc1[O-] ZINC000443283827 500703906 /nfs/dbraw/zinc/70/39/06/500703906.db2.gz APGYZTWMXKRCNB-UHFFFAOYSA-N -1 1 363.442 3.436 20 30 FGEDMM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443308555 500707700 /nfs/dbraw/zinc/70/77/00/500707700.db2.gz KTTQONRWYIFQKD-LLVKDONJSA-N -1 1 364.323 3.480 20 30 FGEDMM C=CCN(CC=C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000448316140 500747340 /nfs/dbraw/zinc/74/73/40/500747340.db2.gz PITZZRZNZLXONZ-IBGZPJMESA-N -1 1 364.445 3.351 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ncc(C#N)cc3Cl)[nH][n-]2)c1 ZINC000444785997 500900771 /nfs/dbraw/zinc/90/07/71/500900771.db2.gz MMTWBQRKDZNLQK-UHFFFAOYSA-N -1 1 355.760 3.119 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C)Oc3ccccc3C#N)[nH][n-]2)c1 ZINC000444804337 500903594 /nfs/dbraw/zinc/90/35/94/500903594.db2.gz RCWCBNXDSQLGPE-CYBMUJFWSA-N -1 1 364.380 3.224 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1Cl ZINC000434967374 500916859 /nfs/dbraw/zinc/91/68/59/500916859.db2.gz GLKIGQJUFHSMAH-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2C1 ZINC000435719355 501016689 /nfs/dbraw/zinc/01/66/89/501016689.db2.gz LOQILZOUIBYVAZ-UHFFFAOYSA-N -1 1 355.463 3.393 20 30 FGEDMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435719194 501016716 /nfs/dbraw/zinc/01/67/16/501016716.db2.gz JPQBJEDDBIDOTH-UHFFFAOYSA-N -1 1 360.435 3.083 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)c1 ZINC000435718894 501016886 /nfs/dbraw/zinc/01/68/86/501016886.db2.gz HARCLLUAXFDSJE-UHFFFAOYSA-N -1 1 374.462 3.029 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)ccc1C#N ZINC000435730143 501019316 /nfs/dbraw/zinc/01/93/16/501019316.db2.gz FVEZBEWRMJUNGU-UHFFFAOYSA-N -1 1 355.419 3.326 20 30 FGEDMM CCCc1c(NC(=O)C(=O)c2ccc([O-])cc2)cnn1-c1cccc(C#N)c1 ZINC000436567626 501158816 /nfs/dbraw/zinc/15/88/16/501158816.db2.gz ZGKKYSPKKGXECY-UHFFFAOYSA-N -1 1 374.400 3.223 20 30 FGEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(Cl)ccc3[O-])n2)c1 ZINC000436599247 501166481 /nfs/dbraw/zinc/16/64/81/501166481.db2.gz WWXUZVZPPMMJFT-UHFFFAOYSA-N -1 1 352.781 3.237 20 30 FGEDMM N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)c1 ZINC000436798081 501213258 /nfs/dbraw/zinc/21/32/58/501213258.db2.gz QXSKUADSLCQFFL-UHFFFAOYSA-N -1 1 373.368 3.474 20 30 FGEDMM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000467750315 501859621 /nfs/dbraw/zinc/85/96/21/501859621.db2.gz XKQKSPNKILEERM-UHFFFAOYSA-N -1 1 351.380 3.042 20 30 FGEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccc(F)cc1 ZINC000479272584 502212078 /nfs/dbraw/zinc/21/20/78/502212078.db2.gz CRMAZPUOVFTSRI-UHFFFAOYSA-N -1 1 352.390 3.421 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)N(C)C)c1C ZINC000475824129 502301113 /nfs/dbraw/zinc/30/11/13/502301113.db2.gz CEBSLBCXNKISOO-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000462100514 502305962 /nfs/dbraw/zinc/30/59/62/502305962.db2.gz HIJOQYKTOSOCSD-UHFFFAOYSA-N -1 1 372.406 3.028 20 30 FGEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc2cc(F)ccc2s1 ZINC000592973399 506317809 /nfs/dbraw/zinc/31/78/09/506317809.db2.gz FOUAVDULSTYTLY-LLVKDONJSA-N -1 1 367.361 3.256 20 30 FGEDMM C=CCc1cccc(C(C)C)c1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000476791438 502587367 /nfs/dbraw/zinc/58/73/67/502587367.db2.gz IJRJVTPPVMYZEP-UHFFFAOYSA-N -1 1 353.422 3.008 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000485084853 502813971 /nfs/dbraw/zinc/81/39/71/502813971.db2.gz JPJUHVCBFAVRGF-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(CC)c2)c1 ZINC000507598323 503329292 /nfs/dbraw/zinc/32/92/92/503329292.db2.gz HWGATPLFAFIWMB-UHFFFAOYSA-N -1 1 362.426 3.105 20 30 FGEDMM C[C@H](Oc1ccccc1C#N)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000535323280 504402466 /nfs/dbraw/zinc/40/24/66/504402466.db2.gz VKJOLPDFULYROZ-JTQLQIEISA-N -1 1 372.837 3.491 20 30 FGEDMM CC1CC(C#N)(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000532072659 504525513 /nfs/dbraw/zinc/52/55/13/504525513.db2.gz BQTKMDQPDFTBTD-UHFFFAOYSA-N -1 1 369.446 3.366 20 30 FGEDMM N#Cc1cccc(C2(NC(=O)c3ccc(Br)c([O-])c3)CC2)c1 ZINC000560843535 505199918 /nfs/dbraw/zinc/19/99/18/505199918.db2.gz LZLBBWOLCOSTRG-UHFFFAOYSA-N -1 1 357.207 3.445 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCn2c3ccccc3c3ccccc32)o1 ZINC000557835018 505241557 /nfs/dbraw/zinc/24/15/57/505241557.db2.gz VQQIAUQPZCIEEH-UHFFFAOYSA-N -1 1 365.414 3.238 20 30 FGEDMM N#Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000558554925 505422337 /nfs/dbraw/zinc/42/23/37/505422337.db2.gz RSJHGNBMVYFIKO-UHFFFAOYSA-N -1 1 361.275 3.448 20 30 FGEDMM CCc1nc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)[n-]c(=O)c1C ZINC000567753729 505557111 /nfs/dbraw/zinc/55/71/11/505557111.db2.gz DWCUEKBCWIGOGM-UHFFFAOYSA-N -1 1 362.842 3.309 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000589189025 506475097 /nfs/dbraw/zinc/47/50/97/506475097.db2.gz ULEHIGNXCALOGW-PHIMTYICSA-N -1 1 352.234 3.077 20 30 FGEDMM CN1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000589195963 506479779 /nfs/dbraw/zinc/47/97/79/506479779.db2.gz QEFUTLDRQQNVNG-ZWKOTPCHSA-N -1 1 355.825 3.092 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(CCOCc3ccccc3)CC2)c1 ZINC000589205333 506483085 /nfs/dbraw/zinc/48/30/85/506483085.db2.gz VLVPBFCHLXGTHE-UHFFFAOYSA-N -1 1 350.418 3.381 20 30 FGEDMM N#CC(=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2ccccc2n1 ZINC000603835602 506628330 /nfs/dbraw/zinc/62/83/30/506628330.db2.gz ATKHNIVIHGOJSS-CYBMUJFWSA-N -1 1 361.313 3.362 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1F ZINC000589965333 506690726 /nfs/dbraw/zinc/69/07/26/506690726.db2.gz BQZOLFXIDZRHAJ-UHFFFAOYSA-N -1 1 366.324 3.243 20 30 FGEDMM N#CC1(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000590153872 506752046 /nfs/dbraw/zinc/75/20/46/506752046.db2.gz ORQOAKPTOOTBST-UHFFFAOYSA-N -1 1 355.419 3.120 20 30 FGEDMM C=C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000591091447 507110731 /nfs/dbraw/zinc/11/07/31/507110731.db2.gz CKOCMNPVHIIYCC-UHFFFAOYSA-N -1 1 356.447 3.280 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000610339403 507200498 /nfs/dbraw/zinc/20/04/98/507200498.db2.gz STFAUANFRRGGAT-SNVBAGLBSA-N -1 1 365.798 3.159 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000594728039 507258864 /nfs/dbraw/zinc/25/88/64/507258864.db2.gz SVZMKOGOIORPIB-UHFFFAOYSA-N -1 1 366.361 3.260 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000614295355 507444896 /nfs/dbraw/zinc/44/48/96/507444896.db2.gz OGFFJMAYRVCZSC-UHFFFAOYSA-N -1 1 358.357 3.163 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1 ZINC000614365415 507481589 /nfs/dbraw/zinc/48/15/89/507481589.db2.gz AVPKDUNASDBDOC-KRWDZBQOSA-N -1 1 352.390 3.464 20 30 FGEDMM N#CCCn1ccc(N=C([O-])Nc2nnc(C=Cc3ccco3)s2)n1 ZINC000470434691 560981797 /nfs/dbraw/zinc/98/17/97/560981797.db2.gz OXDKABDIENGKDD-PLNGDYQASA-N -1 1 355.383 3.056 20 30 FGEDMM C#CCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735376160 598414311 /nfs/dbraw/zinc/41/43/11/598414311.db2.gz ZXCRVDLTPPFDGY-UHFFFAOYSA-N -1 1 366.352 3.368 20 30 FGEDMM C#CCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735376160 598414313 /nfs/dbraw/zinc/41/43/13/598414313.db2.gz ZXCRVDLTPPFDGY-UHFFFAOYSA-N -1 1 366.352 3.368 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C2CC2)o1 ZINC000735939468 598787000 /nfs/dbraw/zinc/78/70/00/598787000.db2.gz QHSFSOBIUUACNJ-UHFFFAOYSA-N -1 1 351.414 3.399 20 30 FGEDMM Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833011252 601298662 /nfs/dbraw/zinc/29/86/62/601298662.db2.gz GRTVIQAKRSDMBL-FQEVSTJZSA-N -1 1 360.417 3.276 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC=CCc2ccc(F)cc2)o1 ZINC000824142419 607652507 /nfs/dbraw/zinc/65/25/07/607652507.db2.gz SFXAPENTERVIJU-CECLRLBKSA-N -1 1 355.377 3.402 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000825264026 604249766 /nfs/dbraw/zinc/24/97/66/604249766.db2.gz ILOHTCCIEAIUEY-YPMHNXCESA-N -1 1 353.369 3.028 20 30 FGEDMM N#Cc1ccc(CN[C@@H]2C[C@@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)cc1 ZINC000833971974 605632209 /nfs/dbraw/zinc/63/22/09/605632209.db2.gz QXVBELAXRNNREX-WIYYLYMNSA-N -1 1 363.417 3.294 20 30 FGEDMM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000833960108 605909365 /nfs/dbraw/zinc/90/93/65/605909365.db2.gz FVBIHKSKFMNUBK-JTQLQIEISA-N -1 1 372.208 3.079 20 30 FGEDMM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826399749 608092984 /nfs/dbraw/zinc/09/29/84/608092984.db2.gz DVQOFFSIUGJXJL-RJRFIUFISA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826399749 608092985 /nfs/dbraw/zinc/09/29/85/608092985.db2.gz DVQOFFSIUGJXJL-RJRFIUFISA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nnn[n-]2)s1 ZINC000826400310 608093741 /nfs/dbraw/zinc/09/37/41/608093741.db2.gz VGQFUGVZODJHDJ-SNAWJCMRSA-N -1 1 356.798 3.125 20 30 FGEDMM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nn[n-]n2)s1 ZINC000826400310 608093742 /nfs/dbraw/zinc/09/37/42/608093742.db2.gz VGQFUGVZODJHDJ-SNAWJCMRSA-N -1 1 356.798 3.125 20 30 FGEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000160183865 705246891 /nfs/dbraw/zinc/24/68/91/705246891.db2.gz WRCWBAVJKIFFCJ-VIFPVBQESA-N -1 1 351.790 3.459 20 30 FGEDMM CC(C)(C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000181841220 705811171 /nfs/dbraw/zinc/81/11/71/705811171.db2.gz VDZUSENGKAKGHX-UHFFFAOYSA-N -1 1 362.382 3.085 20 30 FGEDMM COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)[O-] ZINC000254877940 713676828 /nfs/dbraw/zinc/67/68/28/713676828.db2.gz OPRYMFXCFPMYHG-UHFFFAOYSA-N -1 1 357.391 3.214 20 30 FGEDMM COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)[O-] ZINC000254877940 713676829 /nfs/dbraw/zinc/67/68/29/713676829.db2.gz OPRYMFXCFPMYHG-UHFFFAOYSA-N -1 1 357.391 3.214 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2Br)c(=O)o1 ZINC000255716837 713705347 /nfs/dbraw/zinc/70/53/47/713705347.db2.gz FIHAZURACYTBOQ-MFBWXBCUSA-N -1 1 369.598 3.331 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000570469735 714443432 /nfs/dbraw/zinc/44/34/32/714443432.db2.gz RIVMKIBBMJOOLZ-UHFFFAOYSA-N -1 1 371.340 3.299 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(Br)cc1[O-] ZINC000618893196 714785776 /nfs/dbraw/zinc/78/57/76/714785776.db2.gz YGMAQXGVGKALFH-HNNXBMFYSA-N -1 1 357.207 3.444 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000619729184 714864674 /nfs/dbraw/zinc/86/46/74/714864674.db2.gz FECGSVTUBKGJHB-OAHLLOKOSA-N -1 1 373.206 3.280 20 30 FGEDMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(C#N)c(Cl)c3)cnc2n1 ZINC000619846193 714875003 /nfs/dbraw/zinc/87/50/03/714875003.db2.gz XCLYPWIKWSRQLB-UHFFFAOYSA-N -1 1 352.781 3.099 20 30 FGEDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc(C#N)c(Cl)c1)c2=O ZINC000619846193 714875004 /nfs/dbraw/zinc/87/50/04/714875004.db2.gz XCLYPWIKWSRQLB-UHFFFAOYSA-N -1 1 352.781 3.099 20 30 FGEDMM O=S(=O)([N-]Cc1c(F)c(F)cc(F)c1F)c1ccc(F)c(F)c1F ZINC000674419172 721691058 /nfs/dbraw/zinc/69/10/58/721691058.db2.gz SSUURFPQZRIDDJ-UHFFFAOYSA-N -1 1 373.249 3.139 20 30 FGEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000783904763 724801722 /nfs/dbraw/zinc/80/17/22/724801722.db2.gz MCLIZPJBASDVCZ-LLVKDONJSA-N -1 1 358.236 3.459 20 30 FGEDMM CC(CCc1cccc(C)c1)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748255455 722682201 /nfs/dbraw/zinc/68/22/01/722682201.db2.gz VCHZRGTZVZYQBQ-UHFFFAOYSA-N -1 1 361.423 3.190 20 30 FGEDMM CCc1cc2c(COC(=O)c3cc(C#N)cs3)cc(=O)oc2cc1[O-] ZINC000752590741 722863923 /nfs/dbraw/zinc/86/39/23/722863923.db2.gz MAMDRAGCZSDZEE-UHFFFAOYSA-N -1 1 355.371 3.351 20 30 FGEDMM CC(=Nn1cc(Br)cn1)c1ccc(Br)cc1[O-] ZINC000752747723 722869678 /nfs/dbraw/zinc/86/96/78/722869678.db2.gz PWYWQLZEDNFIPH-UHFFFAOYSA-N -1 1 359.021 3.386 20 30 FGEDMM O=C(/C=C\c1cn(-c2ccc(F)cc2Cl)nn1)c1cc(O)ccc1[O-] ZINC000755598017 722954793 /nfs/dbraw/zinc/95/47/93/722954793.db2.gz BCLCPRPSYPRSOG-DJWKRKHSSA-N -1 1 359.744 3.367 20 30 FGEDMM COC[C@H](C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000756227018 722961973 /nfs/dbraw/zinc/96/19/73/722961973.db2.gz NIYJCSYLHGPGDZ-PWSUYJOCSA-N -1 1 359.451 3.125 20 30 FGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccccc1Br ZINC000790635656 723161490 /nfs/dbraw/zinc/16/14/90/723161490.db2.gz UXTSFWIPYCJADT-CYBMUJFWSA-N -1 1 373.197 3.192 20 30 FGEDMM CC(C)[C@@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000764680555 723436614 /nfs/dbraw/zinc/43/66/14/723436614.db2.gz KGGJOAQKIYNLPA-HNNXBMFYSA-N -1 1 353.444 3.216 20 30 FGEDMM C#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000765434335 723512720 /nfs/dbraw/zinc/51/27/20/723512720.db2.gz VYBPDHPBHGLRHH-UHFFFAOYSA-N -1 1 363.822 3.321 20 30 FGEDMM O=C([O-])c1ccc2c(C=NNc3ccccc3Br)n[nH]c2c1 ZINC000765573203 723524616 /nfs/dbraw/zinc/52/46/16/723524616.db2.gz SWYUBZJLFWJZEB-UHFFFAOYSA-N -1 1 359.183 3.470 20 30 FGEDMM C=CCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000796001824 723616917 /nfs/dbraw/zinc/61/69/17/723616917.db2.gz YCYAAWQCJNJUMF-UHFFFAOYSA-N -1 1 373.261 3.432 20 30 FGEDMM C#C[C@H](CC)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000768050126 723644703 /nfs/dbraw/zinc/64/47/03/723644703.db2.gz PBSFCFRMOOKOHJ-MRXNPFEDSA-N -1 1 357.431 3.364 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2nc3ccc(Br)cc3s2)n1 ZINC000772990360 723774065 /nfs/dbraw/zinc/77/40/65/723774065.db2.gz LFAYOHDEYWCXEW-UHFFFAOYSA-N -1 1 364.228 3.309 20 30 FGEDMM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000785441030 724912612 /nfs/dbraw/zinc/91/26/12/724912612.db2.gz HFJBSRCZOXPZSR-UHFFFAOYSA-N -1 1 367.785 3.070 20 30 FGEDMM C#CCCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000785558683 724921673 /nfs/dbraw/zinc/92/16/73/724921673.db2.gz MQHFRYVDASFNNO-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1csc(Cl)c1 ZINC000786449730 724979980 /nfs/dbraw/zinc/97/99/80/724979980.db2.gz STPLZMVTMKMFLQ-NSHDSACASA-N -1 1 362.794 3.134 20 30 FGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)c1 ZINC000788846821 725091556 /nfs/dbraw/zinc/09/15/56/725091556.db2.gz ZOAMQWJIDWIDSS-FNORWQNLSA-N -1 1 364.224 3.128 20 30 FGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000809752648 725265137 /nfs/dbraw/zinc/26/51/37/725265137.db2.gz UBJYYBXEJQGLCR-XXFAHNHDSA-N -1 1 365.216 3.423 20 30 FGEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000811682412 725376753 /nfs/dbraw/zinc/37/67/53/725376753.db2.gz UTXUIQBKOISSHW-UHFFFAOYSA-N -1 1 366.826 3.190 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=C2CCCc3sc(Br)cc32)n1 ZINC000814681573 726992655 /nfs/dbraw/zinc/99/26/55/726992655.db2.gz SCVHSEZMOJIARU-UHFFFAOYSA-N -1 1 353.245 3.467 20 30 FGEDMM N#C[C@@]1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCSC1 ZINC000824991062 729366850 /nfs/dbraw/zinc/36/68/50/729366850.db2.gz PYLAOTJHNKDCNR-LBPRGKRZSA-N -1 1 361.211 3.056 20 30 FGEDMM CC(=NNCCC(=O)OC(C)(C)C)c1ccc([O-])c(Br)c1 ZINC000844590818 730739424 /nfs/dbraw/zinc/73/94/24/730739424.db2.gz VPMDWXZJRPNQLP-UHFFFAOYSA-N -1 1 357.248 3.200 20 30 FGEDMM N#CCCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672400 731616899 /nfs/dbraw/zinc/61/68/99/731616899.db2.gz AQMKNLZUSLLKMD-HZPDHXFCSA-N -1 1 353.388 3.217 20 30 FGEDMM C=CC[C@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000853298472 731692503 /nfs/dbraw/zinc/69/25/03/731692503.db2.gz ZZVUDHYJHZTPBU-AWEZNQCLSA-N -1 1 351.428 3.137 20 30 FGEDMM C#C[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(C)cc1 ZINC000860965299 732601232 /nfs/dbraw/zinc/60/12/32/732601232.db2.gz HTRPBJTYHLAZBA-MRXNPFEDSA-N -1 1 356.447 3.371 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1N1CCCC1 ZINC000872011216 735575777 /nfs/dbraw/zinc/57/57/77/735575777.db2.gz BXEGNMFUBGAGGM-UHFFFAOYSA-N -1 1 355.463 3.462 20 30 FGEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1OC ZINC000901586975 743593864 /nfs/dbraw/zinc/59/38/64/743593864.db2.gz REEHJMBPPDFGRB-UHFFFAOYSA-N -1 1 360.435 3.269 20 30 FGEDMM C#CC[C@H]1CCCN(Cc2cc(OC)c(C(=O)[O-])cc2Br)C1 ZINC000903907495 743895405 /nfs/dbraw/zinc/89/54/05/743895405.db2.gz WULNTULGDQHYSD-LBPRGKRZSA-N -1 1 366.255 3.391 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCCC[C@@H]2c2ccccc2)c2ccccc21 ZINC000914599258 757808358 /nfs/dbraw/zinc/80/83/58/757808358.db2.gz ALGJKDXSABLMNQ-OAHLLOKOSA-N -1 1 353.447 3.439 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000914599727 757810164 /nfs/dbraw/zinc/81/01/64/757810164.db2.gz IHDCHNAGLALGKW-UHFFFAOYSA-N -1 1 357.479 3.317 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cccc2c1OCO2 ZINC000915956101 758010735 /nfs/dbraw/zinc/01/07/35/758010735.db2.gz OLIWNJZEMYNYJE-UHFFFAOYSA-N -1 1 370.459 3.470 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC000055642279 257347460 /nfs/dbraw/zinc/34/74/60/257347460.db2.gz QQDFIMQYVLANIA-UHFFFAOYSA-N -1 1 369.446 3.031 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1F ZINC000051637888 493979222 /nfs/dbraw/zinc/97/92/22/493979222.db2.gz FHDBDBNAVRIWEE-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM C=CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000008316857 494083857 /nfs/dbraw/zinc/08/38/57/494083857.db2.gz JQFJROYFGXEBJQ-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000055581389 494365890 /nfs/dbraw/zinc/36/58/90/494365890.db2.gz KXONETZLVRDBEC-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM CCCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000056484287 494514110 /nfs/dbraw/zinc/51/41/10/494514110.db2.gz PUZFHAKDJBJMMA-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1C(C)(C)C#N ZINC000131576711 494662482 /nfs/dbraw/zinc/66/24/82/494662482.db2.gz IPBKTUVCLYINBC-UHFFFAOYSA-N -1 1 352.463 3.418 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1Cl ZINC000116601924 494823464 /nfs/dbraw/zinc/82/34/64/494823464.db2.gz USVCJRQGTQLVBV-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM Cc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000121958351 494898465 /nfs/dbraw/zinc/89/84/65/494898465.db2.gz OVYZCWJDHXMZLA-JTQLQIEISA-N -1 1 358.448 3.217 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000135611581 495318125 /nfs/dbraw/zinc/31/81/25/495318125.db2.gz RVCWJNRZXZZVLH-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1C ZINC000174046050 495801905 /nfs/dbraw/zinc/80/19/05/495801905.db2.gz MQUULGHXBPLARU-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C=C(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000161157300 496116812 /nfs/dbraw/zinc/11/68/12/496116812.db2.gz DMVCENLSBRVNLW-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1O ZINC000177623289 496135857 /nfs/dbraw/zinc/13/58/57/496135857.db2.gz GJHFSNABVUDJAT-UHFFFAOYSA-N -1 1 356.325 3.392 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1Cl ZINC000178192217 496363887 /nfs/dbraw/zinc/36/38/87/496363887.db2.gz IKBLAFXRSGTCEE-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc(-c2ccncc2)cs1 ZINC000165804439 496668753 /nfs/dbraw/zinc/66/87/53/496668753.db2.gz FHIJYZYWUZLASG-INIZCTEOSA-N -1 1 372.413 3.276 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000189123999 497015006 /nfs/dbraw/zinc/01/50/06/497015006.db2.gz SOGPVZXCQNSPQZ-NVXWUHKLSA-N -1 1 360.772 3.316 20 30 FGEDMM C=C1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000271347253 497326088 /nfs/dbraw/zinc/32/60/88/497326088.db2.gz XCTHYWLDIIVTMO-UHFFFAOYSA-N -1 1 358.316 3.295 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000267764010 497613380 /nfs/dbraw/zinc/61/33/80/497613380.db2.gz NXKLIBKMUPWUJG-LBPRGKRZSA-N -1 1 360.439 3.028 20 30 FGEDMM N#CC(=C([O-])c1ccnc(OCC(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000190900638 497638118 /nfs/dbraw/zinc/63/81/18/497638118.db2.gz HNHCZWIZIWREGX-GFCCVEGCSA-N -1 1 372.306 3.456 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC#N)ccc2C)c1 ZINC000194671269 497734370 /nfs/dbraw/zinc/73/43/70/497734370.db2.gz MQBDZQZVHQJTJT-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000285169120 498011903 /nfs/dbraw/zinc/01/19/03/498011903.db2.gz TUEIXWZMCBAOKE-LBPRGKRZSA-N -1 1 353.296 3.058 20 30 FGEDMM Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350821755 498140054 /nfs/dbraw/zinc/14/00/54/498140054.db2.gz AOZDQBXUUMBEOW-UHFFFAOYSA-N -1 1 355.373 3.094 20 30 FGEDMM COc1ccc(NC(=O)NC[C@@H]2CCC[C@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000330597941 498157167 /nfs/dbraw/zinc/15/71/67/498157167.db2.gz DEQBWDTUTTUFGU-QWHCGFSZSA-N -1 1 369.487 3.219 20 30 FGEDMM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000331156109 498263918 /nfs/dbraw/zinc/26/39/18/498263918.db2.gz YOIGUBIAKCKWMH-GZMMTYOYSA-N -1 1 352.765 3.329 20 30 FGEDMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000331264324 498287924 /nfs/dbraw/zinc/28/79/24/498287924.db2.gz GEVMMOLUDICWRD-ZYHUDNBSSA-N -1 1 354.834 3.006 20 30 FGEDMM COC(=O)C1(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCC(C)CC1 ZINC000331283340 498291297 /nfs/dbraw/zinc/29/12/97/498291297.db2.gz RWRBOWKVSFSSBF-UHFFFAOYSA-N -1 1 355.818 3.481 20 30 FGEDMM C=C(C)CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301983159 498355440 /nfs/dbraw/zinc/35/54/40/498355440.db2.gz AQHDMIRFLZLJJL-UHFFFAOYSA-N -1 1 361.423 3.408 20 30 FGEDMM Cc1ccc(-c2cnccn2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000373505924 499473667 /nfs/dbraw/zinc/47/36/67/499473667.db2.gz CDMKGSARFVCLCA-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)ccc1C(F)(F)F ZINC000410333749 499655330 /nfs/dbraw/zinc/65/53/30/499655330.db2.gz QYXSXYGRUNJNEK-UHFFFAOYSA-N -1 1 366.324 3.254 20 30 FGEDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410340362 499655976 /nfs/dbraw/zinc/65/59/76/499655976.db2.gz YCFSYEIPSKZLRO-UHFFFAOYSA-N -1 1 358.345 3.224 20 30 FGEDMM C=CCCc1ccccc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000410373219 499658324 /nfs/dbraw/zinc/65/83/24/499658324.db2.gz KGVDHIZYGUJIFI-UHFFFAOYSA-N -1 1 350.422 3.352 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000416258471 499997922 /nfs/dbraw/zinc/99/79/22/499997922.db2.gz FLIHUIHXVSSDQJ-INIZCTEOSA-N -1 1 358.438 3.380 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCCN(c3ccccc3Cl)CC2)cc1[O-] ZINC000425313327 500072253 /nfs/dbraw/zinc/07/22/53/500072253.db2.gz SIJHESJGGKWCIJ-UHFFFAOYSA-N -1 1 355.825 3.270 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COCc2ccc(OC)cc2)c1 ZINC000416935580 500160754 /nfs/dbraw/zinc/16/07/54/500160754.db2.gz GQLBGCKVUAKVFH-IBGZPJMESA-N -1 1 374.462 3.456 20 30 FGEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2n1 ZINC000427196453 500365079 /nfs/dbraw/zinc/36/50/79/500365079.db2.gz LKBTVZWSISMGTO-UHFFFAOYSA-N -1 1 358.398 3.429 20 30 FGEDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2O1 ZINC000427313607 500380650 /nfs/dbraw/zinc/38/06/50/500380650.db2.gz GFCJQDMEPXUZDX-KRWDZBQOSA-N -1 1 362.382 3.396 20 30 FGEDMM C=C(C)CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436889807 501228109 /nfs/dbraw/zinc/22/81/09/501228109.db2.gz YDJLNHJJOMQRHC-GOSISDBHSA-N -1 1 352.434 3.185 20 30 FGEDMM N#Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1[O-] ZINC000457931853 501337452 /nfs/dbraw/zinc/33/74/52/501337452.db2.gz OLDXSZLVYGKCPV-HNNXBMFYSA-N -1 1 368.355 3.085 20 30 FGEDMM Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc([O-])c(F)c3F)C2)n1 ZINC000456788214 501598872 /nfs/dbraw/zinc/59/88/72/501598872.db2.gz RIHXIULOZGEMHL-ZDUSSCGKSA-N -1 1 372.375 3.101 20 30 FGEDMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000478692346 502058471 /nfs/dbraw/zinc/05/84/71/502058471.db2.gz AOXGSNDNLLFFQD-UHFFFAOYSA-N -1 1 370.409 3.093 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000465106539 502192423 /nfs/dbraw/zinc/19/24/23/502192423.db2.gz GBEKHASFSWWSFN-CYBMUJFWSA-N -1 1 362.426 3.239 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1C(C)C ZINC000484267093 502611400 /nfs/dbraw/zinc/61/14/00/502611400.db2.gz VAPAAHFSTGLFBM-UHFFFAOYSA-N -1 1 360.435 3.500 20 30 FGEDMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000484492004 502653184 /nfs/dbraw/zinc/65/31/84/502653184.db2.gz SVKJTHOKOCLRTQ-UHFFFAOYSA-N -1 1 360.435 3.316 20 30 FGEDMM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000467146153 502802163 /nfs/dbraw/zinc/80/21/63/502802163.db2.gz GTTBZHVQPFENFA-UHFFFAOYSA-N -1 1 366.389 3.102 20 30 FGEDMM N#Cc1cnc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c(Cl)c1 ZINC000497464433 502965038 /nfs/dbraw/zinc/96/50/38/502965038.db2.gz OEKSFOVUPIENOA-ONEGZZNKSA-N -1 1 357.782 3.474 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccncc3)c2C(F)F)n1 ZINC000489899799 503060196 /nfs/dbraw/zinc/06/01/96/503060196.db2.gz VXNLHKMTVOFXRE-LLVKDONJSA-N -1 1 359.361 3.460 20 30 FGEDMM C=C(C)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000490044298 503097863 /nfs/dbraw/zinc/09/78/63/503097863.db2.gz MEHKCNCWMGUDRN-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM CC#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000498575375 503218246 /nfs/dbraw/zinc/21/82/46/503218246.db2.gz DOJNAAVTVHHAPQ-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cncs3)s2)cc1 ZINC000514891910 503219964 /nfs/dbraw/zinc/21/99/64/503219964.db2.gz FKRBQOUARKYBFR-UHFFFAOYSA-N -1 1 359.461 3.411 20 30 FGEDMM CC(C)c1ccc(CN2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000507526208 503315425 /nfs/dbraw/zinc/31/54/25/503315425.db2.gz LJLYJEGHMUGZLJ-UHFFFAOYSA-N -1 1 363.461 3.345 20 30 FGEDMM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000508100680 503430919 /nfs/dbraw/zinc/43/09/19/503430919.db2.gz HIIPZZRGOGZQJK-UHFFFAOYSA-N -1 1 370.478 3.443 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1[O-] ZINC000504324620 503556516 /nfs/dbraw/zinc/55/65/16/503556516.db2.gz LZMPLCPGRIBWBX-CQSZACIVSA-N -1 1 373.206 3.280 20 30 FGEDMM N#Cc1ccc(C2(NC(=O)c3ccc(Cl)cc3[O-])CCOCC2)cc1 ZINC000530061466 503819450 /nfs/dbraw/zinc/81/94/50/503819450.db2.gz GJAGUDQDEWLTFV-UHFFFAOYSA-N -1 1 356.809 3.353 20 30 FGEDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(COC)c(C#N)c2)cc1 ZINC000530145365 503852797 /nfs/dbraw/zinc/85/27/97/503852797.db2.gz RGLLFKMJIDKVRW-UHFFFAOYSA-N -1 1 360.435 3.294 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c2cccnc12 ZINC000548977805 504642730 /nfs/dbraw/zinc/64/27/30/504642730.db2.gz DRHAJPIPQDKQHR-UHFFFAOYSA-N -1 1 353.403 3.110 20 30 FGEDMM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000559961800 504959314 /nfs/dbraw/zinc/95/93/14/504959314.db2.gz IUVILCLLZLCGOA-UHFFFAOYSA-N -1 1 372.071 3.336 20 30 FGEDMM N#Cc1cccc(C2([N-]S(=O)(=O)c3c(Cl)ccc(F)c3F)CC2)c1 ZINC000565850953 505005871 /nfs/dbraw/zinc/00/58/71/505005871.db2.gz JRJFRUSKFBVQOE-UHFFFAOYSA-N -1 1 368.792 3.457 20 30 FGEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000554242471 505124387 /nfs/dbraw/zinc/12/43/87/505124387.db2.gz FRQAKALMQJWGNQ-UHFFFAOYSA-N -1 1 360.417 3.093 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000566706266 505249460 /nfs/dbraw/zinc/24/94/60/505249460.db2.gz AJCPYIGRAFFPDF-GFCCVEGCSA-N -1 1 374.409 3.319 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3c(F)cccc3F)CCCC2)o1 ZINC000561504038 505363531 /nfs/dbraw/zinc/36/35/31/505363531.db2.gz IADQFWSWRLNAHX-UHFFFAOYSA-N -1 1 366.389 3.220 20 30 FGEDMM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)o2)c1-c1cccc(Cl)c1 ZINC000588944724 506390945 /nfs/dbraw/zinc/39/09/45/506390945.db2.gz INZDTTSOXKMALJ-UHFFFAOYSA-N -1 1 362.798 3.304 20 30 FGEDMM N#Cc1ccc(CS(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000599416100 506445933 /nfs/dbraw/zinc/44/59/33/506445933.db2.gz SGXDRVNCUUUSIP-QGZVFWFLSA-N -1 1 364.417 3.244 20 30 FGEDMM CC(C)Cc1nc(=NC2CCN(Cc3cccc(C#N)c3)CC2)s[n-]1 ZINC000593515239 506666200 /nfs/dbraw/zinc/66/62/00/506666200.db2.gz LBSAGEHQSJNLKD-UHFFFAOYSA-N -1 1 355.511 3.107 20 30 FGEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000603975658 506678074 /nfs/dbraw/zinc/67/80/74/506678074.db2.gz BOLISCYFOADWQL-UHFFFAOYSA-N -1 1 352.419 3.162 20 30 FGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)cc1[O-] ZINC000597877221 507149838 /nfs/dbraw/zinc/14/98/38/507149838.db2.gz DUVSYVNBODGUAN-ZDUSSCGKSA-N -1 1 355.825 3.174 20 30 FGEDMM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614294183 507443683 /nfs/dbraw/zinc/44/36/83/507443683.db2.gz WSUOEYDRMHYLCC-GOSISDBHSA-N -1 1 352.390 3.258 20 30 FGEDMM CCOc1c(Cl)cc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000614296961 507445983 /nfs/dbraw/zinc/44/59/83/507445983.db2.gz BFUHHWJFXAIREM-UHFFFAOYSA-N -1 1 360.797 3.255 20 30 FGEDMM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1C#N ZINC000614325682 507460876 /nfs/dbraw/zinc/46/08/76/507460876.db2.gz DGYPITIRNYWCHO-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CC1N=NC(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)=C1[O-] ZINC000610989439 507468768 /nfs/dbraw/zinc/46/87/68/507468768.db2.gz BISXSCRQSMKYEK-UHFFFAOYSA-N -1 1 362.389 3.321 20 30 FGEDMM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)n1 ZINC000614364006 507479449 /nfs/dbraw/zinc/47/94/49/507479449.db2.gz RVEWCWKBCBPZEK-UHFFFAOYSA-N -1 1 360.373 3.241 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1C#N ZINC000611014824 507483751 /nfs/dbraw/zinc/48/37/51/507483751.db2.gz JRRPAHIPFXXUFS-OAHLLOKOSA-N -1 1 354.353 3.449 20 30 FGEDMM CCO[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C12CCCC2 ZINC000821351225 599337772 /nfs/dbraw/zinc/33/77/72/599337772.db2.gz NKUKDKDJJNZLNM-LBPRGKRZSA-N -1 1 373.461 3.289 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cscc2Cl)o1 ZINC000820108563 607370863 /nfs/dbraw/zinc/37/08/63/607370863.db2.gz NEXVYNDXUOYOAF-UHFFFAOYSA-N -1 1 351.823 3.214 20 30 FGEDMM CC(C)CO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1(C)C ZINC000735839463 599534572 /nfs/dbraw/zinc/53/45/72/599534572.db2.gz VNZVMBIFEGLIJR-GFCCVEGCSA-N -1 1 361.450 3.217 20 30 FGEDMM CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000828587517 600750260 /nfs/dbraw/zinc/75/02/60/600750260.db2.gz SIRPCYNKZSYYAS-IFXJQAMLSA-N -1 1 372.396 3.431 20 30 FGEDMM COc1ccc(OC(F)F)c(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832430787 601643281 /nfs/dbraw/zinc/64/32/81/601643281.db2.gz JIXZYMDRVTYZDE-MRXNPFEDSA-N -1 1 362.332 3.084 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824384543 607550030 /nfs/dbraw/zinc/55/00/30/607550030.db2.gz DEGWHFDHUHHLHG-LBPRGKRZSA-N -1 1 351.439 3.268 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824384543 607550032 /nfs/dbraw/zinc/55/00/32/607550032.db2.gz DEGWHFDHUHHLHG-LBPRGKRZSA-N -1 1 351.439 3.268 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000833812077 605425404 /nfs/dbraw/zinc/42/54/04/605425404.db2.gz GXLQGZDNBNPFNW-YPMHNXCESA-N -1 1 366.259 3.189 20 30 FGEDMM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000833962002 605909264 /nfs/dbraw/zinc/90/92/64/605909264.db2.gz WKOGISVOMHAWNP-LBPRGKRZSA-N -1 1 372.208 3.079 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCc3ccccc32)o1 ZINC000820197114 606461048 /nfs/dbraw/zinc/46/10/48/606461048.db2.gz GNBFPEBRKZIIGQ-ZDUSSCGKSA-N -1 1 351.414 3.496 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819857450 606556118 /nfs/dbraw/zinc/55/61/18/606556118.db2.gz RWWSZSDCEDMGGI-JTQLQIEISA-N -1 1 370.463 3.432 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819857450 606556119 /nfs/dbraw/zinc/55/61/19/606556119.db2.gz RWWSZSDCEDMGGI-JTQLQIEISA-N -1 1 370.463 3.432 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Cl)cc(Cl)c2)o1 ZINC000819782540 606700983 /nfs/dbraw/zinc/70/09/83/606700983.db2.gz MYVPMYKDSXRNLO-UHFFFAOYSA-N -1 1 352.185 3.306 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cc(F)cc3F)o1 ZINC000824142832 607782935 /nfs/dbraw/zinc/78/29/35/607782935.db2.gz WZNBGKGXFUMRMM-UHFFFAOYSA-N -1 1 373.367 3.193 20 30 FGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400172 608092832 /nfs/dbraw/zinc/09/28/32/608092832.db2.gz RBIZTCCPUIZHSW-UPHRSURJSA-N -1 1 374.809 3.249 20 30 FGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400172 608092833 /nfs/dbraw/zinc/09/28/33/608092833.db2.gz RBIZTCCPUIZHSW-UPHRSURJSA-N -1 1 374.809 3.249 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826387035 608403871 /nfs/dbraw/zinc/40/38/71/608403871.db2.gz CVOFNFUXKNARBE-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826387035 608403872 /nfs/dbraw/zinc/40/38/72/608403872.db2.gz CVOFNFUXKNARBE-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccc(COc2cccc(F)c2-c2nnn[n-]2)c(Br)c1 ZINC000826385097 609313113 /nfs/dbraw/zinc/31/31/13/609313113.db2.gz XCNYLJHBXBZHJW-UHFFFAOYSA-N -1 1 374.173 3.219 20 30 FGEDMM N#Cc1ccc(COc2cccc(F)c2-c2nn[n-]n2)c(Br)c1 ZINC000826385097 609313115 /nfs/dbraw/zinc/31/31/15/609313115.db2.gz XCNYLJHBXBZHJW-UHFFFAOYSA-N -1 1 374.173 3.219 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000041520331 695763281 /nfs/dbraw/zinc/76/32/81/695763281.db2.gz LLKPBCPAOBVBBK-ZDUSSCGKSA-N -1 1 356.407 3.450 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)c3cc(C)on3)nc2C)n[n-]c1=S ZINC000110006663 700537795 /nfs/dbraw/zinc/53/77/95/700537795.db2.gz XDLQSPBFGZYCBE-UHFFFAOYSA-N -1 1 362.440 3.107 20 30 FGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc2c[nH]nc21 ZINC000130229238 700798296 /nfs/dbraw/zinc/79/82/96/700798296.db2.gz HOVKYIFMBDSRTC-LBPRGKRZSA-N -1 1 356.744 3.317 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2Br)c(=O)o1 ZINC000172814169 705430838 /nfs/dbraw/zinc/43/08/38/705430838.db2.gz MJNJZCSJLMNFTO-JBQRSBCVSA-N -1 1 369.598 3.331 20 30 FGEDMM CC(C)[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000176040094 705568669 /nfs/dbraw/zinc/56/86/69/705568669.db2.gz SVJIKWZPHBSUPW-KRWDZBQOSA-N -1 1 358.419 3.192 20 30 FGEDMM CC(C)(C#N)COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000180112595 705728057 /nfs/dbraw/zinc/72/80/57/705728057.db2.gz NPSRHXFSYVGCMD-UHFFFAOYSA-N -1 1 358.419 3.194 20 30 FGEDMM CC[C@H](CC#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000187942509 712757101 /nfs/dbraw/zinc/75/71/01/712757101.db2.gz OKNBSWGAPIBRPV-MRXNPFEDSA-N -1 1 358.419 3.336 20 30 FGEDMM CCCCCCCS(=O)(=O)c1nnc(-c2ccc(OC)cc2OC)[n-]1 ZINC000195188300 713548427 /nfs/dbraw/zinc/54/84/27/713548427.db2.gz SBMOHRKJTWEYIC-UHFFFAOYSA-N -1 1 367.471 3.233 20 30 FGEDMM CCCCCCCS(=O)(=O)c1n[n-]c(-c2ccc(OC)cc2OC)n1 ZINC000195188300 713548429 /nfs/dbraw/zinc/54/84/29/713548429.db2.gz SBMOHRKJTWEYIC-UHFFFAOYSA-N -1 1 367.471 3.233 20 30 FGEDMM N#CCc1ccc(CS(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000575181268 714456883 /nfs/dbraw/zinc/45/68/83/714456883.db2.gz XXFSMXLRBFQLDJ-UHFFFAOYSA-N -1 1 358.467 3.465 20 30 FGEDMM CCc1cc(=O)[n-]c(SCc2c(C#N)c(C)nn2-c2ccccc2)n1 ZINC000618148193 714722450 /nfs/dbraw/zinc/72/24/50/714722450.db2.gz YYJASBOPVBXESN-UHFFFAOYSA-N -1 1 351.435 3.403 20 30 FGEDMM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360391 722467720 /nfs/dbraw/zinc/46/77/20/722467720.db2.gz UIRARAILPZOIJY-JTQLQIEISA-N -1 1 358.221 3.445 20 30 FGEDMM CS(=O)(=O)c1ccccc1NN=Cc1cccc(Br)c1[O-] ZINC000731934077 722479534 /nfs/dbraw/zinc/47/95/34/722479534.db2.gz VXSCGOGMWLUGMX-UHFFFAOYSA-N -1 1 369.240 3.004 20 30 FGEDMM O=C1Nc2cc(F)ccc2C1=NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000732925267 722490472 /nfs/dbraw/zinc/49/04/72/722490472.db2.gz ICCPGHHBQRDVBU-UHFFFAOYSA-N -1 1 357.732 3.297 20 30 FGEDMM O=C1Nc2cc(F)ccc2C1=NN=c1nc(-c2ccc(Cl)cc2)[n-]o1 ZINC000732925267 722490473 /nfs/dbraw/zinc/49/04/73/722490473.db2.gz ICCPGHHBQRDVBU-UHFFFAOYSA-N -1 1 357.732 3.297 20 30 FGEDMM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000741657699 722548043 /nfs/dbraw/zinc/54/80/43/722548043.db2.gz UXRAUQQZXOWEMI-UHFFFAOYSA-N -1 1 363.410 3.264 20 30 FGEDMM C=C(C)[C@@H]1CC=C(C)C(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000746491819 722604842 /nfs/dbraw/zinc/60/48/42/722604842.db2.gz NABJODKLJFWAFN-OAHLLOKOSA-N -1 1 363.439 3.303 20 30 FGEDMM CC(C)C(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000748248550 722681608 /nfs/dbraw/zinc/68/16/08/722681608.db2.gz QSJVVVJVQJIJLT-UHFFFAOYSA-N -1 1 353.444 3.465 20 30 FGEDMM Cc1[nH]c2ccc(Cl)cc2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000752722563 722868567 /nfs/dbraw/zinc/86/85/67/722868567.db2.gz BROIJFPHAPMGLN-UHFFFAOYSA-N -1 1 372.837 3.202 20 30 FGEDMM CCCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)cc1Cl ZINC000755703006 722955847 /nfs/dbraw/zinc/95/58/47/722955847.db2.gz CFEMZLBGHJROKP-UHFFFAOYSA-N -1 1 365.224 3.355 20 30 FGEDMM Cc1ccnc(N=NCc2ccc(OCC(=O)[O-])c(Br)c2)c1 ZINC000755900631 722958152 /nfs/dbraw/zinc/95/81/52/722958152.db2.gz MTWOYFNSELFRHQ-UHFFFAOYSA-N -1 1 364.199 3.062 20 30 FGEDMM O=C([N-]CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)C1(O)CCCC1 ZINC000791379303 723236726 /nfs/dbraw/zinc/23/67/26/723236726.db2.gz UMBQMTHSBYSOLH-UHFFFAOYSA-N -1 1 361.310 3.114 20 30 FGEDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1O ZINC000793446039 723439209 /nfs/dbraw/zinc/43/92/09/723439209.db2.gz YHLBRIIFEFMXIR-UHFFFAOYSA-N -1 1 364.398 3.129 20 30 FGEDMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000794577767 723533007 /nfs/dbraw/zinc/53/30/07/723533007.db2.gz ZVMGOTWITXNQKU-UHFFFAOYSA-N -1 1 358.419 3.120 20 30 FGEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000796097370 723620910 /nfs/dbraw/zinc/62/09/10/723620910.db2.gz MHQFTIOPHXSWCO-CYBMUJFWSA-N -1 1 353.365 3.017 20 30 FGEDMM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000796749615 723653253 /nfs/dbraw/zinc/65/32/53/723653253.db2.gz ZPANPEFXVFVTQM-JTQLQIEISA-N -1 1 366.208 3.127 20 30 FGEDMM N#Cc1cc(Cl)nc(NN=Cc2cc(O)cc(Br)c2[O-])c1 ZINC000768373683 723655757 /nfs/dbraw/zinc/65/57/57/723655757.db2.gz FZBFCAFQKKMRSN-UHFFFAOYSA-N -1 1 367.590 3.226 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H](C)C#N)c2)cc1 ZINC000770933813 723723846 /nfs/dbraw/zinc/72/38/46/723723846.db2.gz TYXBPFIJPSXGFZ-CQSZACIVSA-N -1 1 358.419 3.112 20 30 FGEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000771184574 723729771 /nfs/dbraw/zinc/72/97/71/723729771.db2.gz SJTRYQLSFJHGDH-UHFFFAOYSA-N -1 1 356.694 3.246 20 30 FGEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc(Cl)cc1C#N ZINC000772022241 723748919 /nfs/dbraw/zinc/74/89/19/723748919.db2.gz KYEOWOGMPXGHSR-UHFFFAOYSA-N -1 1 370.839 3.002 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000773058532 723775519 /nfs/dbraw/zinc/77/55/19/723775519.db2.gz RQYCJVMFQQEDIC-RYUDHWBXSA-N -1 1 368.669 3.106 20 30 FGEDMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000773578036 723802981 /nfs/dbraw/zinc/80/29/81/723802981.db2.gz DTDSEQZCLQSGML-SECBINFHSA-N -1 1 362.744 3.240 20 30 FGEDMM CC(N=Nc1cc(Cl)nc(N)n1)c1cc(Br)c(F)cc1[O-] ZINC000778548639 724343255 /nfs/dbraw/zinc/34/32/55/724343255.db2.gz GZWAQAHAGVSSGY-UHFFFAOYSA-N -1 1 374.601 3.156 20 30 FGEDMM N#CCSCCCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000805554196 725080100 /nfs/dbraw/zinc/08/01/00/725080100.db2.gz GCPWODGPDRQEGI-UHFFFAOYSA-N -1 1 351.815 3.035 20 30 FGEDMM C#CCO[C@H](C)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000834408490 729801171 /nfs/dbraw/zinc/80/11/71/729801171.db2.gz KHTKEOWPCHIFFZ-SECBINFHSA-N -1 1 367.199 3.314 20 30 FGEDMM CCO[C@H](CC)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842281382 730480266 /nfs/dbraw/zinc/48/02/66/730480266.db2.gz IZKPJHIHPZDMFI-VXGBXAGGSA-N -1 1 359.451 3.267 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C1CCOCC1 ZINC000851827059 731504353 /nfs/dbraw/zinc/50/43/53/731504353.db2.gz FURFUFNJZHMUCK-ZDUSSCGKSA-N -1 1 369.895 3.261 20 30 FGEDMM C=C(Cl)C[C@@H](NCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC000864518047 733071277 /nfs/dbraw/zinc/07/12/77/733071277.db2.gz ATPCKIHGNSFLTG-CQSZACIVSA-N -1 1 352.843 3.408 20 30 FGEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000872491333 735638878 /nfs/dbraw/zinc/63/88/78/735638878.db2.gz RHEZNOWVTURUPF-CMJOXMDJSA-N -1 1 371.528 3.152 20 30 FGEDMM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675921 739179548 /nfs/dbraw/zinc/17/95/48/739179548.db2.gz FOGPJCNFHJKEFB-INIZCTEOSA-N -1 1 356.781 3.385 20 30 FGEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1 ZINC000901634766 743609538 /nfs/dbraw/zinc/60/95/38/743609538.db2.gz DETYROYFMSXFLU-UHFFFAOYSA-N -1 1 354.431 3.463 20 30 FGEDMM CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000068241084 493783431 /nfs/dbraw/zinc/78/34/31/493783431.db2.gz XUWLUBUGWAPWPB-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000006315690 493958381 /nfs/dbraw/zinc/95/83/81/493958381.db2.gz BNHNGVMPMBYFEF-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1csc(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)c1 ZINC000084295726 494061835 /nfs/dbraw/zinc/06/18/35/494061835.db2.gz NWBPYUPIEFTGFF-UHFFFAOYSA-N -1 1 359.480 3.229 20 30 FGEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000085437303 494125508 /nfs/dbraw/zinc/12/55/08/494125508.db2.gz DSBYUMYDAODEJQ-AWEZNQCLSA-N -1 1 357.483 3.361 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000568568674 505724840 /nfs/dbraw/zinc/72/48/40/505724840.db2.gz GNSOCMLAGHKEPI-UHFFFAOYSA-N -1 1 356.781 3.282 20 30 FGEDMM CCCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000056484311 494514195 /nfs/dbraw/zinc/51/41/95/494514195.db2.gz WTFJGEVSFKIFIT-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000116852508 494862216 /nfs/dbraw/zinc/86/22/16/494862216.db2.gz LCQSQXZIVNFBML-CYBMUJFWSA-N -1 1 362.426 3.321 20 30 FGEDMM Cc1[nH]c(S(=O)(=O)Cc2cccc(C#N)c2)nc1Cc1ccccc1 ZINC000113636678 495323821 /nfs/dbraw/zinc/32/38/21/495323821.db2.gz HJHKQAYPAHHKAX-UHFFFAOYSA-N -1 1 351.431 3.155 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2c[nH]nc2-c2cc3ccccc3o2)c(=O)o1 ZINC000141350544 495505220 /nfs/dbraw/zinc/50/52/20/495505220.db2.gz GWTXJCZEFQLSJI-IPLHWJFFSA-N -1 1 362.341 3.051 20 30 FGEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000154160371 495531121 /nfs/dbraw/zinc/53/11/21/495531121.db2.gz BLIWISMGQSPLBR-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM C=CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000154205983 495544048 /nfs/dbraw/zinc/54/40/48/495544048.db2.gz QITZDVWHGDHPDX-UHFFFAOYSA-N -1 1 362.426 3.193 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C ZINC000176722512 495763915 /nfs/dbraw/zinc/76/39/15/495763915.db2.gz UEBVEUXHJOHECT-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000160971719 496077472 /nfs/dbraw/zinc/07/74/72/496077472.db2.gz DZHBUGJWUDQVDG-UHFFFAOYSA-N -1 1 364.854 3.447 20 30 FGEDMM CCOc1cc(C(=O)N(CCC#N)Cc2cccnc2)cc(Cl)c1[O-] ZINC000186713652 496118351 /nfs/dbraw/zinc/11/83/51/496118351.db2.gz YZFXVSBDOYDSAR-UHFFFAOYSA-N -1 1 359.813 3.395 20 30 FGEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000156554688 496277089 /nfs/dbraw/zinc/27/70/89/496277089.db2.gz JVPDNQQQDJJJCO-CQSZACIVSA-N -1 1 358.316 3.279 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC)cc1 ZINC000187231317 496351137 /nfs/dbraw/zinc/35/11/37/496351137.db2.gz UGRYEFBCEUDDQB-UHFFFAOYSA-N -1 1 359.451 3.357 20 30 FGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000179027566 496649112 /nfs/dbraw/zinc/64/91/12/496649112.db2.gz XDGXMHAMRCFLPZ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCc3cc(Br)ccc3C2)cc1[O-] ZINC000191555339 496809359 /nfs/dbraw/zinc/80/93/59/496809359.db2.gz GLOMEJXQOPDGQD-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189018234 496980137 /nfs/dbraw/zinc/98/01/37/496980137.db2.gz SGMIRLVGGNNINQ-WMZOPIPTSA-N -1 1 373.815 3.232 20 30 FGEDMM COc1ccccc1COC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189088021 497003499 /nfs/dbraw/zinc/00/34/99/497003499.db2.gz WUULHWVQKWKRAB-UHFFFAOYSA-N -1 1 366.417 3.094 20 30 FGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000193358896 497360402 /nfs/dbraw/zinc/36/04/02/497360402.db2.gz LQAWBSFXTAVVTA-UHFFFAOYSA-N -1 1 351.225 3.316 20 30 FGEDMM COC(=O)c1cnc(SCC#Cc2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000193544606 497409686 /nfs/dbraw/zinc/40/96/86/497409686.db2.gz LXFMAPXNCLJJIJ-UHFFFAOYSA-N -1 1 356.325 3.239 20 30 FGEDMM COC(=O)c1c[n-]c(SCC#Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000193544606 497409691 /nfs/dbraw/zinc/40/96/91/497409691.db2.gz LXFMAPXNCLJJIJ-UHFFFAOYSA-N -1 1 356.325 3.239 20 30 FGEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)n[nH]1 ZINC000194023942 497550558 /nfs/dbraw/zinc/55/05/58/497550558.db2.gz ZXVLOMTYXRVSDK-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000190645485 497557598 /nfs/dbraw/zinc/55/75/98/497557598.db2.gz REMBBJKZSHGHEG-GFCCVEGCSA-N -1 1 364.405 3.039 20 30 FGEDMM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000331156110 498263788 /nfs/dbraw/zinc/26/37/88/498263788.db2.gz YOIGUBIAKCKWMH-KCJUWKMLSA-N -1 1 352.765 3.329 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)ccc1C#N ZINC000331889848 498489557 /nfs/dbraw/zinc/48/95/57/498489557.db2.gz WBIOQEZJNFBLRH-UHFFFAOYSA-N -1 1 355.463 3.392 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)ccc1C#N ZINC000410420792 499661728 /nfs/dbraw/zinc/66/17/28/499661728.db2.gz TWFCTZYNSYMOHV-UHFFFAOYSA-N -1 1 366.446 3.376 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000410989145 499688800 /nfs/dbraw/zinc/68/88/00/499688800.db2.gz RGTWQNNLVCBERJ-NXEZZACHSA-N -1 1 372.450 3.365 20 30 FGEDMM Cc1cccnc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429345564 500056277 /nfs/dbraw/zinc/05/62/77/500056277.db2.gz QRRQFTHOXQMPGF-LBPRGKRZSA-N -1 1 364.430 3.469 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCCCC2)o1 ZINC000416627752 500074859 /nfs/dbraw/zinc/07/48/59/500074859.db2.gz RAGBYLWNENRUBV-GOSISDBHSA-N -1 1 374.462 3.114 20 30 FGEDMM CSc1nc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c2ccccn12 ZINC000429560282 500103099 /nfs/dbraw/zinc/10/30/99/500103099.db2.gz JESGUXQPFKUZTI-NSHDSACASA-N -1 1 362.418 3.126 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nnc(C)s2)cc1C ZINC000416937489 500161618 /nfs/dbraw/zinc/16/16/18/500161618.db2.gz JKAKYRMOLAPLEO-GFCCVEGCSA-N -1 1 368.509 3.350 20 30 FGEDMM CCc1nc(CNCc2cccc(OCCCC#N)c2)ccc1C(=O)[O-] ZINC000426647604 500300173 /nfs/dbraw/zinc/30/01/73/500300173.db2.gz NVBVPAJDWFXHPR-UHFFFAOYSA-N -1 1 353.422 3.315 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1OCC ZINC000431187215 500347322 /nfs/dbraw/zinc/34/73/22/500347322.db2.gz NKIKHQLVMODHJR-UHFFFAOYSA-N -1 1 360.435 3.465 20 30 FGEDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1 ZINC000427212933 500368764 /nfs/dbraw/zinc/36/87/64/500368764.db2.gz OHWPAHPMAHRGRN-UHFFFAOYSA-N -1 1 368.393 3.264 20 30 FGEDMM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000432278815 500492965 /nfs/dbraw/zinc/49/29/65/500492965.db2.gz AEPQOWJKQQGVST-UHFFFAOYSA-N -1 1 372.343 3.427 20 30 FGEDMM N#Cc1ccc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)cc1F ZINC000447502515 500613309 /nfs/dbraw/zinc/61/33/09/500613309.db2.gz YZMWIOVQWFBBCS-UHFFFAOYSA-N -1 1 359.357 3.200 20 30 FGEDMM N#Cc1ccc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)cc1F ZINC000447502515 500613312 /nfs/dbraw/zinc/61/33/12/500613312.db2.gz YZMWIOVQWFBBCS-UHFFFAOYSA-N -1 1 359.357 3.200 20 30 FGEDMM COc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000443111508 500682055 /nfs/dbraw/zinc/68/20/55/500682055.db2.gz PPJNHBSIJQKKOG-IBGZPJMESA-N -1 1 356.809 3.235 20 30 FGEDMM N#Cc1ccc(C(=O)N2CC(OCc3cccc4ccccc43)C2)cc1[O-] ZINC000443278759 500703658 /nfs/dbraw/zinc/70/36/58/500703658.db2.gz XDEOANVLVQDTOR-UHFFFAOYSA-N -1 1 358.397 3.458 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443409409 500720946 /nfs/dbraw/zinc/72/09/46/500720946.db2.gz XFLOAGITLOWVTA-UHFFFAOYSA-N -1 1 351.309 3.250 20 30 FGEDMM C=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000588138685 506217066 /nfs/dbraw/zinc/21/70/66/506217066.db2.gz UAFYAMDBROZZKO-UHFFFAOYSA-N -1 1 352.799 3.240 20 30 FGEDMM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000439227914 500871704 /nfs/dbraw/zinc/87/17/04/500871704.db2.gz DOJKZYRMMJUCOF-UHFFFAOYSA-N -1 1 353.259 3.465 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000439243199 500873721 /nfs/dbraw/zinc/87/37/21/500873721.db2.gz BYDQOISPGOVXQI-UHFFFAOYSA-N -1 1 355.341 3.420 20 30 FGEDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1 ZINC000435729190 501019030 /nfs/dbraw/zinc/01/90/30/501019030.db2.gz BKYDJMATMVXWJG-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2F)c1 ZINC000435735311 501020520 /nfs/dbraw/zinc/02/05/20/501020520.db2.gz LMZPQFQMQLUYJX-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(Cl)cc3[O-])n2)c1 ZINC000436882508 501226685 /nfs/dbraw/zinc/22/66/85/501226685.db2.gz SELYMKRSGKFLFP-UHFFFAOYSA-N -1 1 352.781 3.237 20 30 FGEDMM C=CCNC(=O)c1cccc(-c2noc(-c3ccc(OC)cc3[O-])n2)c1 ZINC000436921153 501233107 /nfs/dbraw/zinc/23/31/07/501233107.db2.gz SNFDFFOUOJBCLM-UHFFFAOYSA-N -1 1 351.362 3.034 20 30 FGEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CCC2)cc1[O-] ZINC000592826975 506265980 /nfs/dbraw/zinc/26/59/80/506265980.db2.gz AOVMHUZAFHDQHA-IBGZPJMESA-N -1 1 350.418 3.067 20 30 FGEDMM CCN(c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cn1)C(C)C ZINC000478620915 502035495 /nfs/dbraw/zinc/03/54/95/502035495.db2.gz PRMFHDYXCWMGRI-HNNXBMFYSA-N -1 1 362.437 3.386 20 30 FGEDMM CCN(c1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cn1)C(C)C ZINC000478620916 502036115 /nfs/dbraw/zinc/03/61/15/502036115.db2.gz PRMFHDYXCWMGRI-OAHLLOKOSA-N -1 1 362.437 3.386 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000465138939 502200161 /nfs/dbraw/zinc/20/01/61/502200161.db2.gz HWKMSMCOSOIBGH-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c1 ZINC000479263331 502210134 /nfs/dbraw/zinc/21/01/34/502210134.db2.gz ZIGNDKZROYOAIT-UHFFFAOYSA-N -1 1 361.419 3.479 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000475788849 502292370 /nfs/dbraw/zinc/29/23/70/502292370.db2.gz NTWAQPKZAVYWAG-UHFFFAOYSA-N -1 1 370.352 3.495 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000480077054 502466259 /nfs/dbraw/zinc/46/62/59/502466259.db2.gz ZCYWRYOKASMYQF-MRXNPFEDSA-N -1 1 368.380 3.400 20 30 FGEDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(F)c(F)c(F)c1F ZINC000484952048 502786125 /nfs/dbraw/zinc/78/61/25/502786125.db2.gz URGYUKOGPJZRJP-UHFFFAOYSA-N -1 1 359.226 3.452 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1 ZINC000509102578 502821720 /nfs/dbraw/zinc/82/17/20/502821720.db2.gz HFSUJLIMOBVTHT-UHFFFAOYSA-N -1 1 362.476 3.125 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCCC#N)c2)c1 ZINC000505522167 502924786 /nfs/dbraw/zinc/92/47/86/502924786.db2.gz ZHRGJJZGZZVVPH-UHFFFAOYSA-N -1 1 371.462 3.220 20 30 FGEDMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502450557 503202167 /nfs/dbraw/zinc/20/21/67/503202167.db2.gz PETDSCTVKNAIIJ-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCOC[C@H]2c2nc3ccccc3s2)cc1[O-] ZINC000504248471 503543187 /nfs/dbraw/zinc/54/31/87/503543187.db2.gz WZIFBERUFXAAGI-HNNXBMFYSA-N -1 1 365.414 3.087 20 30 FGEDMM C=CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000536822918 503732779 /nfs/dbraw/zinc/73/27/79/503732779.db2.gz UMMBSVVETQTMOI-UHFFFAOYSA-N -1 1 356.447 3.278 20 30 FGEDMM COc1ccc([O-])c(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000540498698 503792880 /nfs/dbraw/zinc/79/28/80/503792880.db2.gz KDXXPQKBDYTSOX-UHFFFAOYSA-N -1 1 372.324 3.092 20 30 FGEDMM N#Cc1ccc(C2(NC(=O)c3cc(Cl)ccc3[O-])CCOCC2)cc1 ZINC000530061446 503819327 /nfs/dbraw/zinc/81/93/27/503819327.db2.gz GBOPOPSPOFMTGN-UHFFFAOYSA-N -1 1 356.809 3.353 20 30 FGEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2COCC3)cc1 ZINC000527592190 503845777 /nfs/dbraw/zinc/84/57/77/503845777.db2.gz JJIZABDMQKIQKK-IUODEOHRSA-N -1 1 367.405 3.222 20 30 FGEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2COCC3)cc1 ZINC000527592192 503845817 /nfs/dbraw/zinc/84/58/17/503845817.db2.gz JJIZABDMQKIQKK-SWLSCSKDSA-N -1 1 367.405 3.222 20 30 FGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C#N ZINC000547865855 504253413 /nfs/dbraw/zinc/25/34/13/504253413.db2.gz UCKRENWMTVYSTI-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM C[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000535323287 504402610 /nfs/dbraw/zinc/40/26/10/504402610.db2.gz VKJOLPDFULYROZ-SNVBAGLBSA-N -1 1 372.837 3.491 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[n-]c(=O)c1C ZINC000539615353 504628422 /nfs/dbraw/zinc/62/84/22/504628422.db2.gz DDJSASUNGBNDOD-NDBLMLTRSA-N -1 1 362.499 3.211 20 30 FGEDMM COc1cc(-n2cccc2)c(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000546152248 504728064 /nfs/dbraw/zinc/72/80/64/504728064.db2.gz GVOGQRUKMDOSDQ-ZDUSSCGKSA-N -1 1 352.781 3.419 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccc3)cc2)o1 ZINC000553446062 504917263 /nfs/dbraw/zinc/91/72/63/504917263.db2.gz OINCMLLZVGERDT-UHFFFAOYSA-N -1 1 368.414 3.209 20 30 FGEDMM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000553722615 504991445 /nfs/dbraw/zinc/99/14/45/504991445.db2.gz MXGPWZGEOCVWJI-MOXGXCLJSA-N -1 1 350.418 3.345 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCc3ccc(Br)cc3C2)cc1[O-] ZINC000557120751 505070520 /nfs/dbraw/zinc/07/05/20/505070520.db2.gz FMNNQIKYMOJOHI-UHFFFAOYSA-N -1 1 357.207 3.225 20 30 FGEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000561544494 505373984 /nfs/dbraw/zinc/37/39/84/505373984.db2.gz PTXAGBJYYPSTOL-SNVBAGLBSA-N -1 1 358.341 3.252 20 30 FGEDMM N#Cc1ccc(-c2nnc(CSc3nc(C(F)F)cc(=O)[n-]3)o2)cc1 ZINC000558462839 505397459 /nfs/dbraw/zinc/39/74/59/505397459.db2.gz NFBAAULRUXTAAV-UHFFFAOYSA-N -1 1 361.333 3.334 20 30 FGEDMM Cc1cc(Cl)ccc1CN1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000552688968 505535481 /nfs/dbraw/zinc/53/54/81/505535481.db2.gz WWGVREORNZZSKC-UHFFFAOYSA-N -1 1 369.852 3.184 20 30 FGEDMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593201416 506459807 /nfs/dbraw/zinc/45/98/07/506459807.db2.gz VOSFIBAIWIBDRK-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000589176559 506471458 /nfs/dbraw/zinc/47/14/58/506471458.db2.gz MFDBWYGBDXWKAR-KRWDZBQOSA-N -1 1 360.772 3.270 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000589178764 506472835 /nfs/dbraw/zinc/47/28/35/506472835.db2.gz CASRZQGJDOUDOR-UHFFFAOYSA-N -1 1 373.368 3.349 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2nc3cc(Cl)ccc3s2)c1 ZINC000589189469 506476750 /nfs/dbraw/zinc/47/67/50/506476750.db2.gz ZNPILQKBPHNCEG-UHFFFAOYSA-N -1 1 357.822 3.499 20 30 FGEDMM Cc1cc(C[C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)n(-c2ccccc2)n1 ZINC000589192570 506477451 /nfs/dbraw/zinc/47/74/51/506477451.db2.gz LHTIPVSOWLMALH-AWEZNQCLSA-N -1 1 360.417 3.119 20 30 FGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000589203011 506481678 /nfs/dbraw/zinc/48/16/78/506481678.db2.gz DRPCKGXHIQRLLT-HKUYNNGSSA-N -1 1 354.381 3.395 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1-c1ccccc1 ZINC000589587199 506593438 /nfs/dbraw/zinc/59/34/38/506593438.db2.gz KBWNBSNVQOOJSZ-UHFFFAOYSA-N -1 1 352.419 3.252 20 30 FGEDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCC2)CCCCCC1 ZINC000593636272 506709850 /nfs/dbraw/zinc/70/98/50/506709850.db2.gz DMAVWOVRGUVEDS-UHFFFAOYSA-N -1 1 370.515 3.034 20 30 FGEDMM CCC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000608815600 506718034 /nfs/dbraw/zinc/71/80/34/506718034.db2.gz YECOJMMEXSCUCU-KRWDZBQOSA-N -1 1 371.462 3.218 20 30 FGEDMM CCC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000608815316 506718219 /nfs/dbraw/zinc/71/82/19/506718219.db2.gz MVXIEFAEDBWPSI-QGZVFWFLSA-N -1 1 371.462 3.218 20 30 FGEDMM C[C@@H]1CN(c2cc(F)cc(NC(=O)c3cc([O-])cc(C#N)c3)c2)C[C@H](C)O1 ZINC000593878662 506817876 /nfs/dbraw/zinc/81/78/76/506817876.db2.gz CMPOZLOFGNPLPM-BETUJISGSA-N -1 1 369.396 3.269 20 30 FGEDMM CCO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000600648251 507049584 /nfs/dbraw/zinc/04/95/84/507049584.db2.gz NRACQGOZXHNSOR-BBRMVZONSA-N -1 1 368.524 3.495 20 30 FGEDMM CCOC(=O)[C@H]1CCCN(c2ccc(-c3ccc([O-])c(C#N)c3)cn2)C1 ZINC000600780116 507117821 /nfs/dbraw/zinc/11/78/21/507117821.db2.gz MIYKHVMQYASWMI-INIZCTEOSA-N -1 1 351.406 3.105 20 30 FGEDMM N#CC1(CS(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ncco2)CCCCC1 ZINC000594487091 507150288 /nfs/dbraw/zinc/15/02/88/507150288.db2.gz CVZOGGZRFGDMCK-KRWDZBQOSA-N -1 1 373.478 3.352 20 30 FGEDMM Cc1nc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[n-]c(=O)c1C1CC1 ZINC000601088243 507256146 /nfs/dbraw/zinc/25/61/46/507256146.db2.gz NUNANHZVQYUANY-OAHLLOKOSA-N -1 1 366.446 3.137 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1C(F)(F)F ZINC000610585037 507307751 /nfs/dbraw/zinc/30/77/51/507307751.db2.gz ZKRLLTWSXKDKAP-UHFFFAOYSA-N -1 1 366.324 3.026 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000610663128 507335838 /nfs/dbraw/zinc/33/58/38/507335838.db2.gz OQRJMUKNSREKST-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000614295256 507443884 /nfs/dbraw/zinc/44/38/84/507443884.db2.gz IJWWTOPJKDKKJT-UHFFFAOYSA-N -1 1 373.815 3.014 20 30 FGEDMM CCOc1ccc(CCNC(=O)c2cc([O-])cc(C#N)c2)cc1OCC ZINC000614293314 507444709 /nfs/dbraw/zinc/44/47/09/507444709.db2.gz IXRDBVVVRFYEEO-UHFFFAOYSA-N -1 1 354.406 3.034 20 30 FGEDMM CC(C)(C)OC(=O)[C@@](C)(NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000598502710 507460562 /nfs/dbraw/zinc/46/05/62/507460562.db2.gz OTWKUGDVIANJFR-NRFANRHFSA-N -1 1 366.417 3.251 20 30 FGEDMM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2n[nH]c(C)c2[O-])cc1 ZINC000610986997 507468530 /nfs/dbraw/zinc/46/85/30/507468530.db2.gz INRSQVDAYDHHRM-UHFFFAOYSA-N -1 1 364.361 3.349 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 ZINC000614369600 507482739 /nfs/dbraw/zinc/48/27/39/507482739.db2.gz ADTHYBSUOHWKJV-UHFFFAOYSA-N -1 1 352.390 3.322 20 30 FGEDMM CN1CCN(C(=O)c2cc([O-])cc(C#N)c2)c2ccc(Br)cc21 ZINC000587972467 507721625 /nfs/dbraw/zinc/72/16/25/507721625.db2.gz JLCJOKOVBQDSTC-UHFFFAOYSA-N -1 1 372.222 3.123 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(-c3c(F)cccc3F)o2)o1 ZINC000737467134 599010603 /nfs/dbraw/zinc/01/06/03/599010603.db2.gz LDFGFKPMRVWZCL-UHFFFAOYSA-N -1 1 371.307 3.147 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(F)c(F)c(F)c2)o1 ZINC000735450717 598417801 /nfs/dbraw/zinc/41/78/01/598417801.db2.gz CNMFKQASZTVFLC-UHFFFAOYSA-N -1 1 365.319 3.232 20 30 FGEDMM CCc1cc(NN=Cc2cc(C(=O)[O-])c(C)o2)nc(-c2ccccn2)n1 ZINC000737252724 600142421 /nfs/dbraw/zinc/14/24/21/600142421.db2.gz RTCCCFMQQSQINA-UHFFFAOYSA-N -1 1 351.366 3.147 20 30 FGEDMM N#Cc1cccc([C@H](NCc2ccc(OC3CCCC3)nc2)C(=O)[O-])c1 ZINC000833074639 601302145 /nfs/dbraw/zinc/30/21/45/601302145.db2.gz CBEOMLJKKJIWHL-IBGZPJMESA-N -1 1 351.406 3.190 20 30 FGEDMM CN(Cc1ccc(OCC#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830840449 601899648 /nfs/dbraw/zinc/89/96/48/601899648.db2.gz NNGJIXQMZXBSGB-QGZVFWFLSA-N -1 1 364.323 3.264 20 30 FGEDMM FC(F)(F)c1cnc(N=NCc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000822729010 606368083 /nfs/dbraw/zinc/36/80/83/606368083.db2.gz QHLVIQIICRBHQM-UHFFFAOYSA-N -1 1 373.751 3.441 20 30 FGEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819958023 606556291 /nfs/dbraw/zinc/55/62/91/606556291.db2.gz GUKSWDPGGNUWGV-ZDUSSCGKSA-N -1 1 366.450 3.220 20 30 FGEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819958023 606556293 /nfs/dbraw/zinc/55/62/93/606556293.db2.gz GUKSWDPGGNUWGV-ZDUSSCGKSA-N -1 1 366.450 3.220 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c1)O[C@H](C)C2 ZINC000826178532 608093458 /nfs/dbraw/zinc/09/34/58/608093458.db2.gz BIVYTVLRIAKUOD-HMDXOVGESA-N -1 1 368.418 3.156 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c1)O[C@H](C)C2 ZINC000826178532 608093459 /nfs/dbraw/zinc/09/34/59/608093459.db2.gz BIVYTVLRIAKUOD-HMDXOVGESA-N -1 1 368.418 3.156 20 30 FGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826399667 608093842 /nfs/dbraw/zinc/09/38/42/608093842.db2.gz BXPKJKYFGVJIRN-AATRIKPKSA-N -1 1 366.381 3.354 20 30 FGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826399667 608093843 /nfs/dbraw/zinc/09/38/43/608093843.db2.gz BXPKJKYFGVJIRN-AATRIKPKSA-N -1 1 366.381 3.354 20 30 FGEDMM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000825631503 608230363 /nfs/dbraw/zinc/23/03/63/608230363.db2.gz BTWOVUFEOLPKJG-GQCTYLIASA-N -1 1 371.378 3.131 20 30 FGEDMM C#CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCCC1 ZINC000823844689 609363363 /nfs/dbraw/zinc/36/33/63/609363363.db2.gz GQSWZNZBUINJRQ-UHFFFAOYSA-N -1 1 360.259 3.007 20 30 FGEDMM Cc1ccc(C(=O)O[C@H](C)C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000023417100 695661923 /nfs/dbraw/zinc/66/19/23/695661923.db2.gz FIZRUEAKUIUVHZ-GFCCVEGCSA-N -1 1 362.382 3.004 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)CC#N)cc2)cc1 ZINC000113693910 700574447 /nfs/dbraw/zinc/57/44/47/700574447.db2.gz AQJMRFCWEAKVOL-AWEZNQCLSA-N -1 1 358.419 3.255 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(Br)c2)cc1 ZINC000131797578 700819897 /nfs/dbraw/zinc/81/98/97/700819897.db2.gz ITRAVVRMAZJHHK-GFCCVEGCSA-N -1 1 363.167 3.012 20 30 FGEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000134056070 704810984 /nfs/dbraw/zinc/81/09/84/704810984.db2.gz KZIBXSYCOPAMHN-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM C=CCCOCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000147066604 704893636 /nfs/dbraw/zinc/89/36/36/704893636.db2.gz HELMIEHEGNFNHC-UHFFFAOYSA-N -1 1 360.435 3.019 20 30 FGEDMM CS[C@@H](C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156224634 705106841 /nfs/dbraw/zinc/10/68/41/705106841.db2.gz XCWGSBUVOVSMNU-GXSJLCMTSA-N -1 1 361.492 3.181 20 30 FGEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1C ZINC000157588284 705158264 /nfs/dbraw/zinc/15/82/64/705158264.db2.gz QEQSSDWWKJLZMD-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM COc1c(Cl)cc(Cl)cc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000255354639 713692557 /nfs/dbraw/zinc/69/25/57/713692557.db2.gz NJBWVHIVVUOZLP-NQHOJNORSA-N -1 1 355.173 3.230 20 30 FGEDMM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCN2CCc3ccccc3C2)c1[O-] ZINC000255632618 713702929 /nfs/dbraw/zinc/70/29/29/713702929.db2.gz YPQNESYNOQXMBD-JAIQZWGSSA-N -1 1 359.813 3.431 20 30 FGEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1OCC ZINC000619461364 714838315 /nfs/dbraw/zinc/83/83/15/714838315.db2.gz RSIULCGYHSMKTQ-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM Cc1nc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)co1 ZINC000619785694 714870630 /nfs/dbraw/zinc/87/06/30/714870630.db2.gz WIGDOYSVAFEGAC-UHFFFAOYSA-N -1 1 357.420 3.251 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)n1 ZINC000779842574 724430123 /nfs/dbraw/zinc/43/01/23/724430123.db2.gz POUUUTWROXKKHC-UHFFFAOYSA-N -1 1 358.206 3.069 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NN2CCc3ccccc3C2=O)c1 ZINC000781597824 724577508 /nfs/dbraw/zinc/57/75/08/724577508.db2.gz YZIZJZIPBNLVAD-UHFFFAOYSA-N -1 1 359.223 3.496 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2nc(-c3ccc(Br)cc3)c[nH]2)n1 ZINC000732710912 722487602 /nfs/dbraw/zinc/48/76/02/722487602.db2.gz ULZHLKRKKMAVPA-UHFFFAOYSA-N -1 1 373.214 3.089 20 30 FGEDMM C=CCCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000740203914 722535381 /nfs/dbraw/zinc/53/53/81/722535381.db2.gz HQHLZLQTGONDQO-UHFFFAOYSA-N -1 1 363.410 3.288 20 30 FGEDMM COc1cc(C)nc(N=NC(C)c2cc(Br)c(F)cc2[O-])n1 ZINC000746578422 722609006 /nfs/dbraw/zinc/60/90/06/722609006.db2.gz MZTOEDLQUMCWSV-UHFFFAOYSA-N -1 1 369.194 3.237 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCC[C@H]2CCOC2)cc1 ZINC000765573296 723524491 /nfs/dbraw/zinc/52/44/91/723524491.db2.gz ZXZMBPNJYBZNKQ-HNNXBMFYSA-N -1 1 359.451 3.312 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000765580957 723525316 /nfs/dbraw/zinc/52/53/16/723525316.db2.gz LGPJYXWNPYYTCL-UHFFFAOYSA-N -1 1 371.777 3.090 20 30 FGEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000796096737 723620710 /nfs/dbraw/zinc/62/07/10/723620710.db2.gz GJKCKJAIEJMRKU-CYBMUJFWSA-N -1 1 353.365 3.017 20 30 FGEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000769636071 723691008 /nfs/dbraw/zinc/69/10/08/723691008.db2.gz OIHYYZIELUXKHQ-INIZCTEOSA-N -1 1 355.825 3.068 20 30 FGEDMM COC[C@@H](C)NC(=S)NN=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774573694 723907682 /nfs/dbraw/zinc/90/76/82/723907682.db2.gz PCFSMENFCVFQRH-SNVBAGLBSA-N -1 1 351.859 3.032 20 30 FGEDMM C#CCOc1ccccc1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805005221 725043418 /nfs/dbraw/zinc/04/34/18/725043418.db2.gz KYDANKVQXKZIKZ-UHFFFAOYSA-N -1 1 371.792 3.109 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC000834528013 729810399 /nfs/dbraw/zinc/81/03/99/729810399.db2.gz LCDYSTYJPJLDOU-UHFFFAOYSA-N -1 1 353.447 3.229 20 30 FGEDMM CC(NNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)=C1CC1(F)F ZINC000841627936 730260604 /nfs/dbraw/zinc/26/06/04/730260604.db2.gz GWXOZYMNCIVTJZ-LBPRGKRZSA-N -1 1 372.422 3.387 20 30 FGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1nc2c(s1)CCC2 ZINC000842287671 730480763 /nfs/dbraw/zinc/48/07/63/730480763.db2.gz AJDOTCLNTCHLMY-SECBINFHSA-N -1 1 363.801 3.385 20 30 FGEDMM Cc1nn(C)c(C)c1C(=N[N-]c1nc2cccnc2s1)C(F)(F)F ZINC000857217900 732112702 /nfs/dbraw/zinc/11/27/02/732112702.db2.gz BGYJXKRMLQBTMA-UHFFFAOYSA-N -1 1 354.361 3.420 20 30 FGEDMM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000857620099 732144483 /nfs/dbraw/zinc/14/44/83/732144483.db2.gz COMDBBMBHCTYNH-LBPRGKRZSA-N -1 1 363.227 3.302 20 30 FGEDMM CCOC(=O)C(C)(C)ON=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872380665 735622467 /nfs/dbraw/zinc/62/24/67/735622467.db2.gz OLRWTBYTJREKHW-UHFFFAOYSA-N -1 1 357.432 3.182 20 30 FGEDMM Cc1cc(C)n2nc(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)nc2n1 ZINC000901379467 743263849 /nfs/dbraw/zinc/26/38/49/743263849.db2.gz APCQEGJUIPCVHG-UHFFFAOYSA-N -1 1 366.208 3.080 20 30 FGEDMM CC(C)C[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000906478291 744135628 /nfs/dbraw/zinc/13/56/28/744135628.db2.gz BGWOJRXFWSMEIC-CYBMUJFWSA-N -1 1 360.202 3.380 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000070140413 208135486 /nfs/dbraw/zinc/13/54/86/208135486.db2.gz QFOMMMODTXRYSU-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000068241671 493783370 /nfs/dbraw/zinc/78/33/70/493783370.db2.gz AZRSJMYYSWUXNG-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000083536698 494017865 /nfs/dbraw/zinc/01/78/65/494017865.db2.gz NESHMJZERDDUBS-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1[N+](=O)[O-] ZINC000010514957 494155841 /nfs/dbraw/zinc/15/58/41/494155841.db2.gz UCOFMWDVPYATTC-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000041521252 494166447 /nfs/dbraw/zinc/16/64/47/494166447.db2.gz KPXMYMVNXUHKDX-GFCCVEGCSA-N -1 1 353.363 3.036 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CCC)c1 ZINC000055586341 494368059 /nfs/dbraw/zinc/36/80/59/494368059.db2.gz WJJYKMUMARFESE-UHFFFAOYSA-N -1 1 358.463 3.356 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000055664172 494385086 /nfs/dbraw/zinc/38/50/86/494385086.db2.gz BPUICIJNEBDDEY-UHFFFAOYSA-N -1 1 358.463 3.328 20 30 FGEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121342029 494710177 /nfs/dbraw/zinc/71/01/77/494710177.db2.gz MJOHTFNTEBINNE-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 ZINC000126793710 494839422 /nfs/dbraw/zinc/83/94/22/494839422.db2.gz XNWVJGRJQHDBDQ-UHFFFAOYSA-N -1 1 352.847 3.324 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000116858433 494863425 /nfs/dbraw/zinc/86/34/25/494863425.db2.gz TZMINLFIQCSKFE-AWEZNQCLSA-N -1 1 374.462 3.190 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000134068744 495101035 /nfs/dbraw/zinc/10/10/35/495101035.db2.gz UDGKWPSKNOPJLW-RTBURBONSA-N -1 1 372.446 3.041 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000134068932 495101679 /nfs/dbraw/zinc/10/16/79/495101679.db2.gz UDGKWPSKNOPJLW-MOPGFXCFSA-N -1 1 372.446 3.041 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000125268453 495416278 /nfs/dbraw/zinc/41/62/78/495416278.db2.gz FQTBAFHWNQFCAA-UHFFFAOYSA-N -1 1 372.450 3.058 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000185634566 495655700 /nfs/dbraw/zinc/65/57/00/495655700.db2.gz BJZPDQPCXVKIDI-UHFFFAOYSA-N -1 1 359.451 3.051 20 30 FGEDMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C ZINC000171267303 495796788 /nfs/dbraw/zinc/79/67/88/495796788.db2.gz BTWINGNNRVWDPA-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C=C(C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000183046401 495812376 /nfs/dbraw/zinc/81/23/76/495812376.db2.gz QORAFEPIFOZGSA-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM Cc1nscc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000180440048 495996174 /nfs/dbraw/zinc/99/61/74/495996174.db2.gz CXNLTGDJDHQAMB-SNVBAGLBSA-N -1 1 370.459 3.118 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1F ZINC000177622586 496135804 /nfs/dbraw/zinc/13/58/04/496135804.db2.gz UJMVWMOBDXDUCA-UHFFFAOYSA-N -1 1 369.299 3.389 20 30 FGEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000152651604 496214978 /nfs/dbraw/zinc/21/49/78/496214978.db2.gz PSZOWOFYFAMVBF-UHFFFAOYSA-N -1 1 358.419 3.349 20 30 FGEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)no1 ZINC000172591040 496356159 /nfs/dbraw/zinc/35/61/59/496356159.db2.gz STHKBEWIVGKNLY-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM N#Cc1ccc(C(=O)NCCOc2ccccc2C(F)(F)F)cc1[O-] ZINC000188292084 496743715 /nfs/dbraw/zinc/74/37/15/496743715.db2.gz AERPJPFWVGQFGK-UHFFFAOYSA-N -1 1 350.296 3.091 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)cc1[O-] ZINC000189032878 496984690 /nfs/dbraw/zinc/98/46/90/496984690.db2.gz BPSPMTZNQZKYIB-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189939373 497299970 /nfs/dbraw/zinc/29/99/70/497299970.db2.gz SYZHJDHYLUQVJT-UHFFFAOYSA-N -1 1 360.417 3.056 20 30 FGEDMM COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000189998180 497320312 /nfs/dbraw/zinc/32/03/12/497320312.db2.gz ARWFCIPGVUNSON-UHFFFAOYSA-N -1 1 364.401 3.008 20 30 FGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000267529548 497572954 /nfs/dbraw/zinc/57/29/54/497572954.db2.gz PTNQHWNFRJJNKS-KRWDZBQOSA-N -1 1 371.462 3.155 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)cc1[O-] ZINC000190696376 497575614 /nfs/dbraw/zinc/57/56/14/497575614.db2.gz WHXIOOHVZFEKRE-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000280022213 497622936 /nfs/dbraw/zinc/62/29/36/497622936.db2.gz VAOQVAHHZJJNQB-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM N#CC(=C([O-])c1ccnc(OCC(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000190900652 497638250 /nfs/dbraw/zinc/63/82/50/497638250.db2.gz HNHCZWIZIWREGX-LBPRGKRZSA-N -1 1 372.306 3.456 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000194729284 497752118 /nfs/dbraw/zinc/75/21/18/497752118.db2.gz GQJLEHMSHZYQNP-UHFFFAOYSA-N -1 1 374.462 3.110 20 30 FGEDMM CCc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)[n-]c(=O)c1C ZINC000578454201 505943766 /nfs/dbraw/zinc/94/37/66/505943766.db2.gz SLQNZSUPGKOWCQ-CQSZACIVSA-N -1 1 370.478 3.481 20 30 FGEDMM N#CCCN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000289584850 498205313 /nfs/dbraw/zinc/20/53/13/498205313.db2.gz RPSFKMJVWZALFH-UHFFFAOYSA-N -1 1 364.377 3.159 20 30 FGEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2[C@H](C)C1 ZINC000297871306 498593626 /nfs/dbraw/zinc/59/36/26/498593626.db2.gz OZSWXRURGONDQS-RKDXNWHRSA-N -1 1 359.411 3.200 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000416592665 500068952 /nfs/dbraw/zinc/06/89/52/500068952.db2.gz LFUPOXAEJSWJQQ-JSGCOSHPSA-N -1 1 350.827 3.419 20 30 FGEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1Cc1ccccc1 ZINC000429580224 500107360 /nfs/dbraw/zinc/10/73/60/500107360.db2.gz UAZJSGGTGVUZTG-INIZCTEOSA-N -1 1 370.416 3.310 20 30 FGEDMM O=C([O-])C[C@H](CNCc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000417630826 500130113 /nfs/dbraw/zinc/13/01/13/500130113.db2.gz RRFOGOAFRAHBBW-SSDOTTSWSA-N -1 1 363.229 3.467 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1[O-] ZINC000442857533 500635803 /nfs/dbraw/zinc/63/58/03/500635803.db2.gz GEBATHJSRJIXGM-CQSZACIVSA-N -1 1 356.179 3.021 20 30 FGEDMM N#Cc1cc(NC(=O)c2csc(=NC3CC3)[n-]2)ccc1OC(F)(F)F ZINC000442926883 500648468 /nfs/dbraw/zinc/64/84/68/500648468.db2.gz RHVLTQXKLJCGRD-UHFFFAOYSA-N -1 1 368.340 3.162 20 30 FGEDMM CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)n2)cc1 ZINC000443055116 500669707 /nfs/dbraw/zinc/66/97/07/500669707.db2.gz DTJMIJOPOTVDRF-LBPRGKRZSA-N -1 1 362.389 3.367 20 30 FGEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000443054053 500669767 /nfs/dbraw/zinc/66/97/67/500669767.db2.gz STKUXJOWPQLTMN-GOSISDBHSA-N -1 1 366.417 3.060 20 30 FGEDMM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443308557 500707724 /nfs/dbraw/zinc/70/77/24/500707724.db2.gz KTTQONRWYIFQKD-NSHDSACASA-N -1 1 364.323 3.480 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(NC(C)=O)c2C)n1 ZINC000443519700 500733360 /nfs/dbraw/zinc/73/33/60/500733360.db2.gz IHTSFGBOTQRFSW-CYBMUJFWSA-N -1 1 371.418 3.077 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000444788994 500900833 /nfs/dbraw/zinc/90/08/33/500900833.db2.gz YTZIIOCARVNSSR-CYBMUJFWSA-N -1 1 364.380 3.224 20 30 FGEDMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000456066323 501447507 /nfs/dbraw/zinc/44/75/07/501447507.db2.gz LJAZWORRBBPCEN-UHFFFAOYSA-N -1 1 352.390 3.258 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(-c2cccc(C#N)c2)n1 ZINC000467187563 501730756 /nfs/dbraw/zinc/73/07/56/501730756.db2.gz RBVWJNFRJGYFOO-INIZCTEOSA-N -1 1 366.384 3.121 20 30 FGEDMM N#Cc1ccccc1COc1cccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c1 ZINC000486144581 502061553 /nfs/dbraw/zinc/06/15/53/502061553.db2.gz JGHJWAIDLYSFCU-CMDGGOBGSA-N -1 1 369.384 3.039 20 30 FGEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1cccc(F)c1 ZINC000479308682 502219732 /nfs/dbraw/zinc/21/97/32/502219732.db2.gz PBOYYYDSZHKCIT-UHFFFAOYSA-N -1 1 352.390 3.421 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000475803117 502295626 /nfs/dbraw/zinc/29/56/26/502295626.db2.gz HZCWESILGLYVRF-UHFFFAOYSA-N -1 1 366.402 3.136 20 30 FGEDMM N#Cc1ccc(-n2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)n2)c(F)c1 ZINC000487231288 502397558 /nfs/dbraw/zinc/39/75/58/502397558.db2.gz MNTAHFSZSALXLK-UHFFFAOYSA-N -1 1 371.759 3.308 20 30 FGEDMM Cn1cc([C@@H]([N-]C(=O)c2cc(F)c(F)c(F)c2F)C(F)(F)F)cn1 ZINC000487734419 502516973 /nfs/dbraw/zinc/51/69/73/502516973.db2.gz CETIGBSITFKYJA-LLVKDONJSA-N -1 1 355.213 3.010 20 30 FGEDMM CC(C)(C)N=c1[n-]nc(COc2ccc(C#N)cc2)n1Cc1cccs1 ZINC000463089441 502690082 /nfs/dbraw/zinc/69/00/82/502690082.db2.gz QBDXJHLCGKIFGJ-UHFFFAOYSA-N -1 1 367.478 3.471 20 30 FGEDMM Cc1sc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1[N+](=O)[O-] ZINC000466971537 502741805 /nfs/dbraw/zinc/74/18/05/502741805.db2.gz SDGHBPXAPFDGFR-UHFFFAOYSA-N -1 1 357.800 3.291 20 30 FGEDMM CCN(C[C@@H](C)C#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000509931356 503013528 /nfs/dbraw/zinc/01/35/28/503013528.db2.gz TZXJKJKSODWBLL-HNNXBMFYSA-N -1 1 371.462 3.109 20 30 FGEDMM C=CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489748241 503024241 /nfs/dbraw/zinc/02/42/41/503024241.db2.gz SIQLULHOSUUFMO-UHFFFAOYSA-N -1 1 367.810 3.404 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cnc1N1CCCC[C@@H]1C ZINC000502408824 503194714 /nfs/dbraw/zinc/19/47/14/503194714.db2.gz FCUQKLVCALMBIQ-HNNXBMFYSA-N -1 1 370.478 3.441 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(Cl)c1 ZINC000493108951 503406630 /nfs/dbraw/zinc/40/66/30/503406630.db2.gz XWHDCGWOVHNRPB-UHFFFAOYSA-N -1 1 361.732 3.426 20 30 FGEDMM Cc1cccc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000546182436 503661352 /nfs/dbraw/zinc/66/13/52/503661352.db2.gz CBBIUQSYQHNQLI-LBPRGKRZSA-N -1 1 350.390 3.493 20 30 FGEDMM COCc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000540338322 503741577 /nfs/dbraw/zinc/74/15/77/503741577.db2.gz NMXAYVNXECCRSF-UHFFFAOYSA-N -1 1 360.435 3.316 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C#N ZINC000530144085 503851919 /nfs/dbraw/zinc/85/19/19/503851919.db2.gz BYJVWTVBLRMTPG-UHFFFAOYSA-N -1 1 360.435 3.293 20 30 FGEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000533797018 503952620 /nfs/dbraw/zinc/95/26/20/503952620.db2.gz JXMSVHHUFVPFDI-UHFFFAOYSA-N -1 1 374.709 3.035 20 30 FGEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000547414853 504095913 /nfs/dbraw/zinc/09/59/13/504095913.db2.gz QXOLTNSCRYGZQQ-UHFFFAOYSA-N -1 1 374.418 3.189 20 30 FGEDMM CC#CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000542736826 504591651 /nfs/dbraw/zinc/59/16/51/504591651.db2.gz BMNCVBPDPKOLFS-UHFFFAOYSA-N -1 1 374.437 3.078 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000556798468 504977871 /nfs/dbraw/zinc/97/78/71/504977871.db2.gz SUAWWZAIGLBFLJ-UHFFFAOYSA-N -1 1 370.430 3.411 20 30 FGEDMM CC(C)Oc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553799626 505015131 /nfs/dbraw/zinc/01/51/31/505015131.db2.gz GUBYBWVMCSSZCP-AWEZNQCLSA-N -1 1 362.451 3.238 20 30 FGEDMM O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(C(F)(F)F)ccc1F ZINC000564549994 505450399 /nfs/dbraw/zinc/45/03/99/505450399.db2.gz RWRRUKGVNMLAHT-UHFFFAOYSA-N -1 1 369.258 3.165 20 30 FGEDMM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000589166343 506466058 /nfs/dbraw/zinc/46/60/58/506466058.db2.gz HYPBXOIXVIHUGV-KRWDZBQOSA-N -1 1 366.808 3.170 20 30 FGEDMM Cc1c([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000589168364 506467966 /nfs/dbraw/zinc/46/79/66/506467966.db2.gz VSSORDCMWRSCOP-GFCCVEGCSA-N -1 1 364.380 3.388 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000589172011 506469089 /nfs/dbraw/zinc/46/90/89/506469089.db2.gz NBZUJQPMVVLQDV-CYBMUJFWSA-N -1 1 355.825 3.174 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c1 ZINC000589179059 506473334 /nfs/dbraw/zinc/47/33/34/506473334.db2.gz DIXFPDWUOFLKQH-UHFFFAOYSA-N -1 1 369.274 3.190 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2CC[C@@](C)(C#N)C2)cc1 ZINC000603409249 506506718 /nfs/dbraw/zinc/50/67/18/506506718.db2.gz KDGAYZSZKRKNOZ-IBGZPJMESA-N -1 1 371.462 3.236 20 30 FGEDMM C=C(C)COc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000589439130 506549489 /nfs/dbraw/zinc/54/94/89/506549489.db2.gz QIGMNGRAYVXOCZ-UHFFFAOYSA-N -1 1 353.421 3.202 20 30 FGEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000589553092 506585347 /nfs/dbraw/zinc/58/53/47/506585347.db2.gz AMNHTVGVQWMALA-UHFFFAOYSA-N -1 1 368.402 3.013 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c1 ZINC000589585066 506591050 /nfs/dbraw/zinc/59/10/50/506591050.db2.gz LHVYXHPURSMLKL-UHFFFAOYSA-N -1 1 373.437 3.348 20 30 FGEDMM CCc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c2ccccc2n1 ZINC000589589220 506593540 /nfs/dbraw/zinc/59/35/40/506593540.db2.gz UEFAHERPWMVZMM-UHFFFAOYSA-N -1 1 351.431 3.086 20 30 FGEDMM Cn1c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2nc1C1CC1 ZINC000589587301 506593602 /nfs/dbraw/zinc/59/36/02/506593602.db2.gz YLXLBRNJKZTPDD-UHFFFAOYSA-N -1 1 366.446 3.318 20 30 FGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000590503853 506840844 /nfs/dbraw/zinc/84/08/44/506840844.db2.gz JTIDXBJBVNQFSM-GFCCVEGCSA-N -1 1 350.353 3.080 20 30 FGEDMM N#Cc1cccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000590695115 506912911 /nfs/dbraw/zinc/91/29/11/506912911.db2.gz QJAANIKJZKDQOJ-UHFFFAOYSA-N -1 1 351.362 3.271 20 30 FGEDMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000600650960 507051243 /nfs/dbraw/zinc/05/12/43/507051243.db2.gz AJADNMZOUOKFBP-AWEZNQCLSA-N -1 1 362.373 3.134 20 30 FGEDMM N#C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000613504758 507123381 /nfs/dbraw/zinc/12/33/81/507123381.db2.gz BHHXTLXAXXOAEA-CYBMUJFWSA-N -1 1 354.259 3.425 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000610339402 507201391 /nfs/dbraw/zinc/20/13/91/507201391.db2.gz STFAUANFRRGGAT-JTQLQIEISA-N -1 1 365.798 3.159 20 30 FGEDMM N#Cc1cccc(C2(NC(=O)c3ccc(Cl)cc3[O-])CCOCC2)c1 ZINC000598251492 507345673 /nfs/dbraw/zinc/34/56/73/507345673.db2.gz LSICSQDYCURCCR-UHFFFAOYSA-N -1 1 356.809 3.353 20 30 FGEDMM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614300775 507445792 /nfs/dbraw/zinc/44/57/92/507445792.db2.gz RVJHLBPTYBNAHC-UHFFFAOYSA-N -1 1 364.449 3.038 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000614366572 507481769 /nfs/dbraw/zinc/48/17/69/507481769.db2.gz IQWDMKRZBPXHJB-UHFFFAOYSA-N -1 1 354.366 3.098 20 30 FGEDMM N#Cc1ccccc1NC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000602181792 507618263 /nfs/dbraw/zinc/61/82/63/507618263.db2.gz BCUBTVJONTWPGB-UHFFFAOYSA-N -1 1 357.360 3.259 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000614802795 507658814 /nfs/dbraw/zinc/65/88/14/507658814.db2.gz BUDQNIIXMVGHNE-UHFFFAOYSA-N -1 1 373.459 3.013 20 30 FGEDMM O=C1c2ccc(-c3nn[nH]n3)cc2CCC1=Cc1ccc([O-])c(Cl)c1 ZINC000823504336 599115305 /nfs/dbraw/zinc/11/53/05/599115305.db2.gz PAHABCMJVHTNAU-GHXNOFRVSA-N -1 1 352.781 3.438 20 30 FGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1C#N ZINC000738254473 600364422 /nfs/dbraw/zinc/36/44/22/600364422.db2.gz WPHAMEJKFDBEDY-ZDUSSCGKSA-N -1 1 374.485 3.073 20 30 FGEDMM N#Cc1ccc([C@@H](NCc2ccc(OC3CCCC3)nc2)C(=O)[O-])cc1 ZINC000739108897 600595109 /nfs/dbraw/zinc/59/51/09/600595109.db2.gz XZFRLGRICROFAY-LJQANCHMSA-N -1 1 351.406 3.190 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(CC(C)C)s2)o1 ZINC000820108778 607464352 /nfs/dbraw/zinc/46/43/52/607464352.db2.gz SHYKIESUBHXJSD-UHFFFAOYSA-N -1 1 374.474 3.154 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cncc3ccccc32)o1 ZINC000820108221 607464442 /nfs/dbraw/zinc/46/44/42/607464442.db2.gz GYCXUHLSHNQYAS-UHFFFAOYSA-N -1 1 362.397 3.047 20 30 FGEDMM N#Cc1ccc([C@@H](Sc2nc(-c3ccccc3F)n[nH]2)C(=O)[O-])cc1 ZINC000739116955 600935481 /nfs/dbraw/zinc/93/54/81/600935481.db2.gz GFFPMHNMYPQICB-CQSZACIVSA-N -1 1 354.366 3.400 20 30 FGEDMM NC(=NOCc1ccc(C(=O)[O-])cc1)c1ccc(N2CCCCC2)cc1 ZINC000833078182 601056278 /nfs/dbraw/zinc/05/62/78/601056278.db2.gz JLSFLQXRGSJUPF-UHFFFAOYSA-N -1 1 353.422 3.212 20 30 FGEDMM CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828757919 601301168 /nfs/dbraw/zinc/30/11/68/601301168.db2.gz FAWMPJYWNXBSPO-IFXJQAMLSA-N -1 1 365.433 3.002 20 30 FGEDMM COc1ccc(OC(F)F)c(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832430786 601643259 /nfs/dbraw/zinc/64/32/59/601643259.db2.gz JIXZYMDRVTYZDE-INIZCTEOSA-N -1 1 362.332 3.084 20 30 FGEDMM N#Cc1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000826384844 607536233 /nfs/dbraw/zinc/53/62/33/607536233.db2.gz LQVKAZXERXTHAB-UHFFFAOYSA-N -1 1 374.376 3.168 20 30 FGEDMM N#Cc1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000826384844 607536235 /nfs/dbraw/zinc/53/62/35/607536235.db2.gz LQVKAZXERXTHAB-UHFFFAOYSA-N -1 1 374.376 3.168 20 30 FGEDMM CCc1cc(NN=Cc2ccc(NC(=O)[O-])nc2)nc(-c2ccccn2)n1 ZINC000827570659 603486741 /nfs/dbraw/zinc/48/67/41/603486741.db2.gz TYJFBGIXTSSGJA-UHFFFAOYSA-N -1 1 363.381 3.032 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ncc(Br)s1 ZINC000826399954 607930662 /nfs/dbraw/zinc/93/06/62/607930662.db2.gz LDENYVKPVLFJPJ-HNQUOIGGSA-N -1 1 368.241 3.043 20 30 FGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1O ZINC000823936989 608091447 /nfs/dbraw/zinc/09/14/47/608091447.db2.gz CRPYEBNMBQLKQQ-WAYWQWQTSA-N -1 1 368.418 3.267 20 30 FGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1O ZINC000823936989 608091448 /nfs/dbraw/zinc/09/14/48/608091448.db2.gz CRPYEBNMBQLKQQ-WAYWQWQTSA-N -1 1 368.418 3.267 20 30 FGEDMM C=CC1CCN(C(=O)Cn2c(-c3ccc(OC)cc3)n[n-]c2=S)CC1 ZINC000111631923 700549443 /nfs/dbraw/zinc/54/94/43/700549443.db2.gz GMKMDOGGIPVKOB-UHFFFAOYSA-N -1 1 358.467 3.041 20 30 FGEDMM C#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000121051225 700664761 /nfs/dbraw/zinc/66/47/61/700664761.db2.gz GVMARQBEZMLBIU-OAHLLOKOSA-N -1 1 357.431 3.283 20 30 FGEDMM CSCCCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000130956187 700808403 /nfs/dbraw/zinc/80/84/03/700808403.db2.gz UKUGSLSLIJQNOC-LLVKDONJSA-N -1 1 361.492 3.183 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000176019381 705568114 /nfs/dbraw/zinc/56/81/14/705568114.db2.gz ZAPJARNSGPEXAG-INIZCTEOSA-N -1 1 358.419 3.255 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1[O-] ZINC000615478434 714530812 /nfs/dbraw/zinc/53/08/12/714530812.db2.gz AMELSYAGDSKPDI-CQSZACIVSA-N -1 1 356.179 3.021 20 30 FGEDMM N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nc(C2CC2)cs1 ZINC000647379233 718353565 /nfs/dbraw/zinc/35/35/65/718353565.db2.gz SQTNNONVSIZANJ-HNNXBMFYSA-N -1 1 351.431 3.403 20 30 FGEDMM N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nc(C2CC2)cs1 ZINC000647379234 718353575 /nfs/dbraw/zinc/35/35/75/718353575.db2.gz SQTNNONVSIZANJ-OAHLLOKOSA-N -1 1 351.431 3.403 20 30 FGEDMM N#C[C@@H](C(=O)c1nccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000683688639 722305576 /nfs/dbraw/zinc/30/55/76/722305576.db2.gz DHHOPHJGMIKMKO-VIFPVBQESA-N -1 1 356.432 3.222 20 30 FGEDMM N#Cc1ccc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)c(F)c1 ZINC000725900614 722425703 /nfs/dbraw/zinc/42/57/03/722425703.db2.gz ZPBOXUCZJKKTOF-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000727040023 722440501 /nfs/dbraw/zinc/44/05/01/722440501.db2.gz WLGXNTNFEKXLIN-UHFFFAOYSA-N -1 1 353.346 3.108 20 30 FGEDMM N#Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000730360058 722467693 /nfs/dbraw/zinc/46/76/93/722467693.db2.gz CSVNOLVEYAGCAF-UHFFFAOYSA-N -1 1 365.172 3.366 20 30 FGEDMM O=c1nc(NN=Cc2ccc(-c3ccccc3Cl)s2)nc2[nH][n-]cc1-2 ZINC000731154327 722473639 /nfs/dbraw/zinc/47/36/39/722473639.db2.gz GUAXCCHAOMFZSC-UHFFFAOYSA-N -1 1 370.825 3.260 20 30 FGEDMM CC(=O)N(c1nc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cs1)C1CC1 ZINC000734304004 722505939 /nfs/dbraw/zinc/50/59/39/722505939.db2.gz CCECBJOMTHKRDF-UUASQNMZSA-N -1 1 356.403 3.289 20 30 FGEDMM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1scnc1C ZINC000744029436 722572968 /nfs/dbraw/zinc/57/29/68/722572968.db2.gz SQFCQTYCUAUBMI-JTQLQIEISA-N -1 1 363.826 3.383 20 30 FGEDMM C#C[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000744181110 722574303 /nfs/dbraw/zinc/57/43/03/722574303.db2.gz GBWPFHOGAIBOJP-CYBMUJFWSA-N -1 1 361.394 3.113 20 30 FGEDMM CC#CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000744464715 722577333 /nfs/dbraw/zinc/57/73/33/722577333.db2.gz YQCQEKYEJKYNDY-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(CC)cc1 ZINC000748248624 722681827 /nfs/dbraw/zinc/68/18/27/722681827.db2.gz STSLRNGGQZAECI-UHFFFAOYSA-N -1 1 361.423 3.250 20 30 FGEDMM C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000748473592 722692814 /nfs/dbraw/zinc/69/28/14/722692814.db2.gz APEUFUTULDAKSE-JTQLQIEISA-N -1 1 368.792 3.073 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1C#N ZINC000749772294 722740266 /nfs/dbraw/zinc/74/02/66/722740266.db2.gz WISMKTVSQNBJIN-UHFFFAOYSA-N -1 1 364.839 3.326 20 30 FGEDMM C=CCC[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C1CC1 ZINC000752567709 722862920 /nfs/dbraw/zinc/86/29/20/722862920.db2.gz ZDMHSJDNTMICIZ-CYBMUJFWSA-N -1 1 355.456 3.258 20 30 FGEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000755599298 722954814 /nfs/dbraw/zinc/95/48/14/722954814.db2.gz ABBMPGMHNJIWON-XFSBKJJWSA-N -1 1 370.348 3.466 20 30 FGEDMM O=C([N-]C[C@H]1CCN(CC(F)(F)F)C1)C(F)(F)c1c(F)cccc1F ZINC000756939017 722972107 /nfs/dbraw/zinc/97/21/07/722972107.db2.gz WQPKCVKNKQVTCJ-SECBINFHSA-N -1 1 372.284 3.057 20 30 FGEDMM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c([O-])c(O)ccc1F ZINC000789992791 723092160 /nfs/dbraw/zinc/09/21/60/723092160.db2.gz NJSYMISIXKIHHV-UHFFFAOYSA-N -1 1 353.271 3.037 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000796085906 723620077 /nfs/dbraw/zinc/62/00/77/723620077.db2.gz HAGOHBQOGLNTBR-ZDUSSCGKSA-N -1 1 368.773 3.040 20 30 FGEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000770390940 723712879 /nfs/dbraw/zinc/71/28/79/723712879.db2.gz OULHCWBYUVJUEI-SECBINFHSA-N -1 1 368.655 3.322 20 30 FGEDMM O=C([N-]CCCN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)C(F)(F)F ZINC000774567272 723907348 /nfs/dbraw/zinc/90/73/48/723907348.db2.gz RZYBBUOYGTXHKG-HTQZYQBOSA-N -1 1 374.247 3.118 20 30 FGEDMM COCCC1N=NC(=S)N1N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774586554 723908699 /nfs/dbraw/zinc/90/86/99/723908699.db2.gz HHXHWLQEALYSGZ-UHFFFAOYSA-N -1 1 362.842 3.150 20 30 FGEDMM CS(=O)(=O)c1cccc(NN=Cc2ccc([O-])c(Br)c2)c1 ZINC000776261728 724125331 /nfs/dbraw/zinc/12/53/31/724125331.db2.gz PMFOYTMUFDKLHJ-UHFFFAOYSA-N -1 1 369.240 3.004 20 30 FGEDMM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000805017322 725044195 /nfs/dbraw/zinc/04/41/95/725044195.db2.gz DBUZLHPSHDPTJT-UHFFFAOYSA-N -1 1 360.744 3.107 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(C)(C)C ZINC000805147256 725053116 /nfs/dbraw/zinc/05/31/16/725053116.db2.gz UWSFKMJLGQOPJQ-NSHDSACASA-N -1 1 353.337 3.051 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1O ZINC000788490616 725067603 /nfs/dbraw/zinc/06/76/03/725067603.db2.gz GQMHGVQFQSWAFX-UHFFFAOYSA-N -1 1 367.224 3.136 20 30 FGEDMM C[C@H](COc1ccccc1)NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000811665301 725376139 /nfs/dbraw/zinc/37/61/39/725376139.db2.gz NNCCKVFTPDNKMC-LLVKDONJSA-N -1 1 365.227 3.251 20 30 FGEDMM CCCCCCCC[C@H](C)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000831580912 729652986 /nfs/dbraw/zinc/65/29/86/729652986.db2.gz HOFGJMKVUMPVCK-ZDUSSCGKSA-N -1 1 356.488 3.365 20 30 FGEDMM O=C([O-])c1ccc(N=NC2CCCc3ncc(C(F)(F)F)cc32)cn1 ZINC000835006944 729849499 /nfs/dbraw/zinc/84/94/99/729849499.db2.gz MNHHVCVBPSXXAP-UHFFFAOYSA-N -1 1 350.300 3.346 20 30 FGEDMM CC(C)c1c(Cl)ncnc1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844593922 730739210 /nfs/dbraw/zinc/73/92/10/730739210.db2.gz JOEQHYDPIBWXEI-UHFFFAOYSA-N -1 1 356.817 3.378 20 30 FGEDMM O=c1nc(N=NC2CCCC[C@@H]2c2ccccc2Cl)nc2[nH][n-]cc1-2 ZINC000853304940 731693080 /nfs/dbraw/zinc/69/30/80/731693080.db2.gz IHTYYRUYZCOPKH-LLVKDONJSA-N -1 1 356.817 3.211 20 30 FGEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](O)c1ccc(Cl)cc1 ZINC000856315468 732008799 /nfs/dbraw/zinc/00/87/99/732008799.db2.gz NPHPUAOSCFMNGM-ZWKOTPCHSA-N -1 1 358.825 3.405 20 30 FGEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000859425059 732326763 /nfs/dbraw/zinc/32/67/63/732326763.db2.gz MEGIDHCVGNPFQI-LLVKDONJSA-N -1 1 357.884 3.261 20 30 FGEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN2Cc3ccccc3C2=O)cs1 ZINC000872363817 735620081 /nfs/dbraw/zinc/62/00/81/735620081.db2.gz SDPCTJTUFKMRGR-UHFFFAOYSA-N -1 1 358.423 3.480 20 30 FGEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000872491335 735639000 /nfs/dbraw/zinc/63/90/00/735639000.db2.gz RHEZNOWVTURUPF-NPMXOYFQSA-N -1 1 371.528 3.152 20 30 FGEDMM C#CCC1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCOCC1 ZINC000885843141 739191643 /nfs/dbraw/zinc/19/16/43/739191643.db2.gz STPLBRWLVCCLNE-UHFFFAOYSA-N -1 1 369.895 3.406 20 30 FGEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892494351 740006713 /nfs/dbraw/zinc/00/67/13/740006713.db2.gz CWBKFQHKNXUNLT-CQSZACIVSA-N -1 1 354.435 3.095 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000914600354 757809501 /nfs/dbraw/zinc/80/95/01/757809501.db2.gz VMYQNLLHAFUVSM-UHFFFAOYSA-N -1 1 354.218 3.066 20 30 FGEDMM Cn1c(N=NCc2cccc(Br)c2[O-])nnc1-c1ccccc1 ZINC000915968358 758013273 /nfs/dbraw/zinc/01/32/73/758013273.db2.gz GVHPIBMYTRVLLY-UHFFFAOYSA-N -1 1 372.226 3.396 20 30 FGEDMM C=CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000916607633 758106746 /nfs/dbraw/zinc/10/67/46/758106746.db2.gz JCZBMONMZVMNNV-UHFFFAOYSA-N -1 1 351.811 3.484 20 30 FGEDMM COc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)ccc1OC(F)F ZINC000036714103 208170459 /nfs/dbraw/zinc/17/04/59/208170459.db2.gz BPHFFJZCRXCWBG-UHFFFAOYSA-N -1 1 352.219 3.070 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000076937430 493992634 /nfs/dbraw/zinc/99/26/34/493992634.db2.gz MIOKENBZDMMRBL-KBPBESRZSA-N -1 1 354.497 3.249 20 30 FGEDMM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007055951 493998527 /nfs/dbraw/zinc/99/85/27/493998527.db2.gz FKSXXTQKAYOOAH-UHFFFAOYSA-N -1 1 369.368 3.444 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000055664060 494384754 /nfs/dbraw/zinc/38/47/54/494384754.db2.gz WCNWQLWNCQAOFA-UHFFFAOYSA-N -1 1 364.854 3.365 20 30 FGEDMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045571901 494440710 /nfs/dbraw/zinc/44/07/10/494440710.db2.gz XTMJVTWBSMQGMJ-LBPRGKRZSA-N -1 1 365.315 3.376 20 30 FGEDMM CC#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000574232016 505725624 /nfs/dbraw/zinc/72/56/24/505725624.db2.gz OMNDYCICTDQIGV-UHFFFAOYSA-N -1 1 374.437 3.030 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(CS(C)(=O)=O)cc2)n1 ZINC000080449350 494706928 /nfs/dbraw/zinc/70/69/28/494706928.db2.gz VNCXYQUNZLISLG-CQSZACIVSA-N -1 1 362.476 3.301 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2Br)c(Cl)c1 ZINC000126591899 494796441 /nfs/dbraw/zinc/79/64/41/494796441.db2.gz OIGQHVWGZXDFBO-UHFFFAOYSA-N -1 1 372.631 3.170 20 30 FGEDMM C=C(C)COCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000133081590 494966370 /nfs/dbraw/zinc/96/63/70/494966370.db2.gz KWUNCGHLBQNRRB-UHFFFAOYSA-N -1 1 357.781 3.230 20 30 FGEDMM C=CCC[C@@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000154242029 495554779 /nfs/dbraw/zinc/55/47/79/495554779.db2.gz ILMDLORHZXLQGB-GOSISDBHSA-N -1 1 364.449 3.006 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000154288372 495569011 /nfs/dbraw/zinc/56/90/11/495569011.db2.gz QKPZTWBFQHKUGX-UHFFFAOYSA-N -1 1 370.308 3.076 20 30 FGEDMM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000150995924 495705702 /nfs/dbraw/zinc/70/57/02/495705702.db2.gz BBHRIIYHACXNGY-HNNXBMFYSA-N -1 1 370.478 3.441 20 30 FGEDMM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000580635732 505803103 /nfs/dbraw/zinc/80/31/03/505803103.db2.gz FJLAMPYUMZTNCE-OAHLLOKOSA-N -1 1 370.478 3.441 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC)c(F)c2)c1 ZINC000151440402 495840746 /nfs/dbraw/zinc/84/07/46/495840746.db2.gz MHLKHKCNYQJFTA-UHFFFAOYSA-N -1 1 362.426 3.105 20 30 FGEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000152644815 496213252 /nfs/dbraw/zinc/21/32/52/496213252.db2.gz KOPWXXVMDHRFDX-UHFFFAOYSA-N -1 1 358.419 3.349 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000154058338 496670392 /nfs/dbraw/zinc/67/03/92/496670392.db2.gz FHGQVIMGMIFEMR-CYBMUJFWSA-N -1 1 362.426 3.239 20 30 FGEDMM CC(C)(C)OC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188797687 496911449 /nfs/dbraw/zinc/91/14/49/496911449.db2.gz UALWHJRKJSSEHI-QGZVFWFLSA-N -1 1 352.390 3.077 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1[O-] ZINC000189048439 496991140 /nfs/dbraw/zinc/99/11/40/496991140.db2.gz RVLIZFOKATUQFY-QGZVFWFLSA-N -1 1 374.343 3.079 20 30 FGEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000274497849 497111360 /nfs/dbraw/zinc/11/13/60/497111360.db2.gz LIFVOGUQZRGQPG-HNNXBMFYSA-N -1 1 373.450 3.107 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000192709121 497191191 /nfs/dbraw/zinc/19/11/91/497191191.db2.gz CBUVRDLLDGULTI-UHFFFAOYSA-N -1 1 366.446 3.435 20 30 FGEDMM CC(C)OC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000189951543 497304332 /nfs/dbraw/zinc/30/43/32/497304332.db2.gz OQWQCLCWIUSWIK-KRWDZBQOSA-N -1 1 352.390 3.077 20 30 FGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC ZINC000194135594 497584367 /nfs/dbraw/zinc/58/43/67/497584367.db2.gz NYJLUSQINANLFN-UHFFFAOYSA-N -1 1 366.826 3.420 20 30 FGEDMM C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000191008689 497681251 /nfs/dbraw/zinc/68/12/51/497681251.db2.gz RRWFBPAMTNQUIJ-LLVKDONJSA-N -1 1 359.223 3.387 20 30 FGEDMM CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000191013982 497683428 /nfs/dbraw/zinc/68/34/28/497683428.db2.gz FFBWKGCABFTBJW-UHFFFAOYSA-N -1 1 351.406 3.178 20 30 FGEDMM N#CCCCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301590985 498177540 /nfs/dbraw/zinc/17/75/40/498177540.db2.gz TWTLOHLSZUAOKX-UHFFFAOYSA-N -1 1 366.393 3.266 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000578748600 506011992 /nfs/dbraw/zinc/01/19/92/506011992.db2.gz OFWFLKOFBRDGIF-AULYBMBSSA-N -1 1 370.352 3.395 20 30 FGEDMM N#CCC1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000581698085 506046564 /nfs/dbraw/zinc/04/65/64/506046564.db2.gz OMVMFXXWSKHAGO-UHFFFAOYSA-N -1 1 374.238 3.469 20 30 FGEDMM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000297840130 498583459 /nfs/dbraw/zinc/58/34/59/498583459.db2.gz RGISVTBGGPITIH-LBPRGKRZSA-N -1 1 363.227 3.302 20 30 FGEDMM N#CC[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000298557347 498812644 /nfs/dbraw/zinc/81/26/44/498812644.db2.gz ZQJGXLOYVRMDKD-JQWIXIFHSA-N -1 1 352.232 3.036 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)[C@@H]1C[C@@H]1C ZINC000295193602 498939617 /nfs/dbraw/zinc/93/96/17/498939617.db2.gz LPQTWDMITCYVKV-ORAYPTAESA-N -1 1 369.446 3.120 20 30 FGEDMM O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cncc([O-])c1 ZINC000328826864 498952711 /nfs/dbraw/zinc/95/27/11/498952711.db2.gz SLEIJNWULGFINY-ZDUSSCGKSA-N -1 1 372.425 3.228 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1)C1CC1 ZINC000295249914 498955841 /nfs/dbraw/zinc/95/58/41/498955841.db2.gz WLSOHVDNFSIUPK-UHFFFAOYSA-N -1 1 369.446 3.183 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425299908 500068043 /nfs/dbraw/zinc/06/80/43/500068043.db2.gz KOLMRZNOLHDZRQ-GFCCVEGCSA-N -1 1 368.418 3.190 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000416592647 500068865 /nfs/dbraw/zinc/06/88/65/500068865.db2.gz LFUPOXAEJSWJQQ-GXTWGEPZSA-N -1 1 350.827 3.419 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CCC1 ZINC000416672891 500082505 /nfs/dbraw/zinc/08/25/05/500082505.db2.gz SDYDKSFFEAXRKP-UHFFFAOYSA-N -1 1 352.765 3.331 20 30 FGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc4onc(C(C)C)c4c3)nc1-2 ZINC000429599844 500111163 /nfs/dbraw/zinc/11/11/63/500111163.db2.gz UCHYKOHBXUXCCA-ZDUSSCGKSA-N -1 1 360.377 3.416 20 30 FGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(S(C)(=O)=O)c2)s1 ZINC000430597135 500260354 /nfs/dbraw/zinc/26/03/54/500260354.db2.gz PRAQMLWXCXIUJR-ZDUSSCGKSA-N -1 1 362.476 3.334 20 30 FGEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)o1 ZINC000443251834 500701186 /nfs/dbraw/zinc/70/11/86/500701186.db2.gz PVBQWBZRCPPJCD-CQSZACIVSA-N -1 1 368.842 3.033 20 30 FGEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000443943897 500781117 /nfs/dbraw/zinc/78/11/17/500781117.db2.gz SLZVEEGFLJHWDG-UFBFGSQYSA-N -1 1 354.781 3.467 20 30 FGEDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000443943896 500781441 /nfs/dbraw/zinc/78/14/41/500781441.db2.gz SLZVEEGFLJHWDG-QPUJVOFHSA-N -1 1 354.781 3.467 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000435448661 500980077 /nfs/dbraw/zinc/98/00/77/500980077.db2.gz YXGOFNAFMLJHMZ-LBPRGKRZSA-N -1 1 360.382 3.244 20 30 FGEDMM C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000446599219 501140105 /nfs/dbraw/zinc/14/01/05/501140105.db2.gz JGYABHKWANDSJS-HNNXBMFYSA-N -1 1 372.428 3.163 20 30 FGEDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1-c1cccs1 ZINC000446971451 501188484 /nfs/dbraw/zinc/18/84/84/501188484.db2.gz FQUXBNBHDYAGPY-UHFFFAOYSA-N -1 1 358.448 3.373 20 30 FGEDMM C[C@@]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)(C1CC1)C(F)(F)F ZINC000450997279 501237770 /nfs/dbraw/zinc/23/77/70/501237770.db2.gz JSDHERKSSFSEFI-CYBMUJFWSA-N -1 1 366.792 3.415 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC000451622393 501339044 /nfs/dbraw/zinc/33/90/44/501339044.db2.gz FWWVVMWMOBLIAW-UHFFFAOYSA-N -1 1 372.324 3.017 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1[O-] ZINC000452839247 501571563 /nfs/dbraw/zinc/57/15/63/501571563.db2.gz GBVYIMJZLHECJK-MRXNPFEDSA-N -1 1 351.362 3.192 20 30 FGEDMM C=CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000468385423 502042580 /nfs/dbraw/zinc/04/25/80/502042580.db2.gz VGAZYZZVYJWABM-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)c1 ZINC000478715505 502066440 /nfs/dbraw/zinc/06/64/40/502066440.db2.gz ZFYQBPLIFYVEDA-UHFFFAOYSA-N -1 1 374.462 3.029 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)cc1C ZINC000471582737 502072977 /nfs/dbraw/zinc/07/29/77/502072977.db2.gz YIDQJSHYCSHJFV-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM CC(C)COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000475584304 502218382 /nfs/dbraw/zinc/21/83/82/502218382.db2.gz BTMLRAGCYKXGPZ-MRXNPFEDSA-N -1 1 368.499 3.387 20 30 FGEDMM C[C@@H](C#N)CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CC1 ZINC000486812825 502272395 /nfs/dbraw/zinc/27/23/95/502272395.db2.gz SMOCIXQLDVKEPA-JTQLQIEISA-N -1 1 374.238 3.467 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000475790208 502293383 /nfs/dbraw/zinc/29/33/83/502293383.db2.gz UAUGBZWEADFJRT-UHFFFAOYSA-N -1 1 356.325 3.294 20 30 FGEDMM Cn1cc([C@@H]([N-]C(=O)c2c(F)c(F)cc(F)c2F)C(F)(F)F)cn1 ZINC000487751739 502521988 /nfs/dbraw/zinc/52/19/88/502521988.db2.gz IHYDGWQEQQDZEM-LLVKDONJSA-N -1 1 355.213 3.010 20 30 FGEDMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000466477169 502582065 /nfs/dbraw/zinc/58/20/65/502582065.db2.gz HLXYQYDVZBBJEO-UHFFFAOYSA-N -1 1 358.419 3.269 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)Oc3ccccc3C#N)[nH][n-]2)s1 ZINC000500861931 502880880 /nfs/dbraw/zinc/88/08/80/502880880.db2.gz PQYAJEAGXSDDGX-GFCCVEGCSA-N -1 1 352.419 3.146 20 30 FGEDMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000513427948 502936539 /nfs/dbraw/zinc/93/65/39/502936539.db2.gz YUIFNUJMJQVZQQ-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM N#CC(=C([O-])c1ccc(Br)c2c1OCCC2)c1ccncn1 ZINC000517271683 503702321 /nfs/dbraw/zinc/70/23/21/503702321.db2.gz MKOMHAPYPTURLY-LBPRGKRZSA-N -1 1 358.195 3.054 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000546627137 503813838 /nfs/dbraw/zinc/81/38/38/503813838.db2.gz GDWQNXITGMNGGP-OAHLLOKOSA-N -1 1 370.352 3.149 20 30 FGEDMM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000559252096 504809691 /nfs/dbraw/zinc/80/96/91/504809691.db2.gz SGFQPBBPDRJDIC-UHFFFAOYSA-N -1 1 374.400 3.334 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Oc2ccccc2)o1 ZINC000553470373 504923262 /nfs/dbraw/zinc/92/32/62/504923262.db2.gz HOQHTZQNYWPAMV-UHFFFAOYSA-N -1 1 354.387 3.422 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c1 ZINC000589198314 506482054 /nfs/dbraw/zinc/48/20/54/506482054.db2.gz ZDCYPSPAFXGFNH-CYBMUJFWSA-N -1 1 359.788 3.065 20 30 FGEDMM N#Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000582978059 506520661 /nfs/dbraw/zinc/52/06/61/506520661.db2.gz NAKRUFCEEAZQKV-OAHLLOKOSA-N -1 1 374.400 3.334 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000583161904 506622609 /nfs/dbraw/zinc/62/26/09/506622609.db2.gz VSGHQRZTFWXEAK-GOSISDBHSA-N -1 1 356.378 3.358 20 30 FGEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1OC ZINC000600665890 507055893 /nfs/dbraw/zinc/05/58/93/507055893.db2.gz ZQRQOEJTIDBXPK-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc([O-])cc(C#N)c2)CO1 ZINC000597935356 507183890 /nfs/dbraw/zinc/18/38/90/507183890.db2.gz SMPDWXGWRPBPEI-SFHVURJKSA-N -1 1 350.418 3.474 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)CCc2ccc(F)cc2)c(C#N)cc1N(C)C ZINC000594726430 507256232 /nfs/dbraw/zinc/25/62/32/507256232.db2.gz LRYGPKYSGPAEAY-UHFFFAOYSA-N -1 1 361.442 3.056 20 30 FGEDMM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000598222949 507326695 /nfs/dbraw/zinc/32/66/95/507326695.db2.gz DFCLALOKLBAHPV-SFHVURJKSA-N -1 1 354.381 3.395 20 30 FGEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000614357755 507476168 /nfs/dbraw/zinc/47/61/68/507476168.db2.gz PUPCCKNNZHFPHQ-LJQANCHMSA-N -1 1 352.390 3.162 20 30 FGEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1OC1CCOCC1 ZINC000614369689 507482934 /nfs/dbraw/zinc/48/29/34/507482934.db2.gz OEQNXSHXMPDZDS-UHFFFAOYSA-N -1 1 352.390 3.382 20 30 FGEDMM CCCN(Cc1ccc(C#N)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821109800 607305337 /nfs/dbraw/zinc/30/53/37/607305337.db2.gz PIVBKLOMPWMVLH-UHFFFAOYSA-N -1 1 353.817 3.203 20 30 FGEDMM CCCN(Cc1ccc(C#N)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821109800 607305338 /nfs/dbraw/zinc/30/53/38/607305338.db2.gz PIVBKLOMPWMVLH-UHFFFAOYSA-N -1 1 353.817 3.203 20 30 FGEDMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000736465448 600394359 /nfs/dbraw/zinc/39/43/59/600394359.db2.gz FYRCKLRINQRFHV-UHFFFAOYSA-N -1 1 363.483 3.012 20 30 FGEDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000832914106 600761156 /nfs/dbraw/zinc/76/11/56/600761156.db2.gz ANNVLSLCTMRZON-UONOGXRCSA-N -1 1 351.406 3.243 20 30 FGEDMM COCc1ccc(SC=C(O)C(C(=O)[O-])c2nc3ccccc3[nH]2)cc1 ZINC000831817379 601348567 /nfs/dbraw/zinc/34/85/67/601348567.db2.gz LWMFYXSOGMOOMO-UHFFFAOYSA-N -1 1 370.430 3.328 20 30 FGEDMM CCc1oc(C(=O)[O-])cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000830368767 601417105 /nfs/dbraw/zinc/41/71/05/601417105.db2.gz BXBRPQZNGZGVNJ-UHFFFAOYSA-N -1 1 354.406 3.455 20 30 FGEDMM CC[C@@H](/N=C/c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000818261487 601498774 /nfs/dbraw/zinc/49/87/74/601498774.db2.gz LGWVCUCTXPDCLU-SVOHMGGZSA-N -1 1 365.021 3.199 20 30 FGEDMM CC(C)(C#N)CCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000826072576 604358135 /nfs/dbraw/zinc/35/81/35/604358135.db2.gz XNRCOBFGRYVQPY-KRWDZBQOSA-N -1 1 363.889 3.413 20 30 FGEDMM CC(C)(CCC#N)CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833457307 604679402 /nfs/dbraw/zinc/67/94/02/604679402.db2.gz OMTYGXLHGMYWSZ-KRWDZBQOSA-N -1 1 363.889 3.413 20 30 FGEDMM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)c1 ZINC000833371386 605419494 /nfs/dbraw/zinc/41/94/94/605419494.db2.gz ZZUHLQPZFFZHJF-UHFFFAOYSA-N -1 1 365.407 3.296 20 30 FGEDMM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403097 608093320 /nfs/dbraw/zinc/09/33/20/608093320.db2.gz JSTSPFUNCSSPKR-TWGQIWQCSA-N -1 1 362.418 3.069 20 30 FGEDMM N#C[C@H](C(=O)C[C@H]1C=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362203 695857587 /nfs/dbraw/zinc/85/75/87/695857587.db2.gz UVWYPMGXIFMRTD-WCQYABFASA-N -1 1 353.447 3.396 20 30 FGEDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000132308381 700826102 /nfs/dbraw/zinc/82/61/02/700826102.db2.gz KIIQGEJQPYFSTI-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM O=C([N-]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C(F)(F)C(F)F ZINC000176202477 705576288 /nfs/dbraw/zinc/57/62/88/705576288.db2.gz NFHKRSXCZHZOLD-UHFFFAOYSA-N -1 1 369.240 3.408 20 30 FGEDMM N#Cc1ccc(CSc2nnc(NC(=O)c3cncc([O-])c3)s2)cc1 ZINC000522051246 714167278 /nfs/dbraw/zinc/16/72/78/714167278.db2.gz JPHBIHZIXVARKZ-UHFFFAOYSA-N -1 1 369.431 3.055 20 30 FGEDMM CN(C)Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Br ZINC000615808205 714550470 /nfs/dbraw/zinc/55/04/70/714550470.db2.gz CBKICQGGNIBVEK-UHFFFAOYSA-N -1 1 374.238 3.340 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(Br)ccc1[O-] ZINC000618788659 714778901 /nfs/dbraw/zinc/77/89/01/714778901.db2.gz YBTUJQBCMRBHDA-HNNXBMFYSA-N -1 1 357.207 3.444 20 30 FGEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(Br)c([O-])c1 ZINC000618893673 714785770 /nfs/dbraw/zinc/78/57/70/714785770.db2.gz VKDLETUMQWYSJV-OAHLLOKOSA-N -1 1 357.207 3.444 20 30 FGEDMM Cc1nocc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000626284417 715877597 /nfs/dbraw/zinc/87/75/97/715877597.db2.gz VKCDKOCJWCITFL-JTQLQIEISA-N -1 1 354.391 3.062 20 30 FGEDMM COCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000754261357 722932786 /nfs/dbraw/zinc/93/27/86/722932786.db2.gz WALOLRXZJCOPKP-UHFFFAOYSA-N -1 1 359.451 3.312 20 30 FGEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ncc(I)s1 ZINC000794712662 723542426 /nfs/dbraw/zinc/54/24/26/723542426.db2.gz KIZKZGXRVRGVPG-VMPITWQZSA-N -1 1 369.183 3.276 20 30 FGEDMM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nc(C2CC2)cs1 ZINC000647378539 718353742 /nfs/dbraw/zinc/35/37/42/718353742.db2.gz DHJQUMZGHWFTML-OAHLLOKOSA-N -1 1 351.431 3.403 20 30 FGEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOCC1 ZINC000657128110 719569590 /nfs/dbraw/zinc/56/95/90/719569590.db2.gz RYPJVFTYUODKEO-UHFFFAOYSA-N -1 1 356.296 3.459 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000725826293 722423987 /nfs/dbraw/zinc/42/39/87/722423987.db2.gz BAGAEVJSFKXWDF-SNVBAGLBSA-N -1 1 365.798 3.159 20 30 FGEDMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000728507623 722452168 /nfs/dbraw/zinc/45/21/68/722452168.db2.gz IDNHMDSYFAODEB-UHFFFAOYSA-N -1 1 361.448 3.133 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000730996129 722472511 /nfs/dbraw/zinc/47/25/11/722472511.db2.gz NVBVDEAHQMAINP-UHFFFAOYSA-N -1 1 366.236 3.262 20 30 FGEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2)o1 ZINC000743259661 722565251 /nfs/dbraw/zinc/56/52/51/722565251.db2.gz IZIDVPCWONDCTR-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM [O-]c1c(Br)cccc1CN=Nc1nc(-c2ccncc2)no1 ZINC000750949322 722787381 /nfs/dbraw/zinc/78/73/81/722787381.db2.gz SEYKPQMSOINOAT-UHFFFAOYSA-N -1 1 360.171 3.046 20 30 FGEDMM O=[N+]([O-])c1cc(Cl)cc(CN=Nc2ccc(C(F)(F)F)nn2)c1[O-] ZINC000754710873 722944821 /nfs/dbraw/zinc/94/48/21/722944821.db2.gz JDTZZBUVCRFTOA-UHFFFAOYSA-N -1 1 361.667 3.209 20 30 FGEDMM C#C[C@H](CCC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000791200173 723219307 /nfs/dbraw/zinc/21/93/07/723219307.db2.gz MBTFWTOMINFGBC-MRXNPFEDSA-N -1 1 356.447 3.019 20 30 FGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1occ2c1CCOC2 ZINC000796794554 723655278 /nfs/dbraw/zinc/65/52/78/723655278.db2.gz UWRQEODLPFNTLA-GFCCVEGCSA-N -1 1 362.744 3.106 20 30 FGEDMM CCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000773852557 723829959 /nfs/dbraw/zinc/82/99/59/723829959.db2.gz OPVOCBZRNUREFV-GFCCVEGCSA-N -1 1 351.435 3.113 20 30 FGEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000797816806 723865482 /nfs/dbraw/zinc/86/54/82/723865482.db2.gz HVFKLEFCJIALKA-UHFFFAOYSA-N -1 1 359.407 3.154 20 30 FGEDMM O=C([O-])Cn1cc(CN=Nc2ccc(Br)nc2)c2ccccc21 ZINC000799880227 724107405 /nfs/dbraw/zinc/10/74/05/724107405.db2.gz ICHMYETWJCLQIU-UHFFFAOYSA-N -1 1 373.210 3.329 20 30 FGEDMM C#C[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000848277258 731151468 /nfs/dbraw/zinc/15/14/68/731151468.db2.gz PBFPLPZGIZCGGK-NSHDSACASA-N -1 1 359.223 3.188 20 30 FGEDMM N#C[C@@H](C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850738836 731383484 /nfs/dbraw/zinc/38/34/84/731383484.db2.gz FVLCPKLJWJJCOJ-WGBDABJCSA-N -1 1 353.447 3.498 20 30 FGEDMM N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852060374 731539896 /nfs/dbraw/zinc/53/98/96/731539896.db2.gz DNMPZRUUDIYSSA-BXUZGUMPSA-N -1 1 359.779 3.295 20 30 FGEDMM C=CCOc1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1Cl ZINC000900071509 743058005 /nfs/dbraw/zinc/05/80/05/743058005.db2.gz RLLNGTZBEXVVOM-AWEZNQCLSA-N -1 1 361.829 3.424 20 30 FGEDMM Cn1cc(S(=O)(=O)[N-]c2cc(C#N)c(F)cc2F)c(C2CCCC2)n1 ZINC000903648223 743867715 /nfs/dbraw/zinc/86/77/15/743867715.db2.gz WOTARWPSKYEQQT-UHFFFAOYSA-N -1 1 366.393 3.028 20 30 FGEDMM O=C([O-])CCOc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000915937748 758007189 /nfs/dbraw/zinc/00/71/89/758007189.db2.gz TXRBKAWVWVCOOB-UHFFFAOYSA-N -1 1 353.300 3.400 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H](C)C#N)cc2)cc1C ZINC000916070801 758032485 /nfs/dbraw/zinc/03/24/85/758032485.db2.gz FCLKHVHWEFLCDX-CQSZACIVSA-N -1 1 358.419 3.173 20 30 FGEDMM C=CCN1C(=O)N[C@@H](c2ccc([O-])c(Cl)c2)C(C(=O)OCC)=C1C ZINC000921294736 758681866 /nfs/dbraw/zinc/68/18/66/758681866.db2.gz NNMAROZMRIWVCY-HNNXBMFYSA-N -1 1 350.802 3.135 20 30 FGEDMM C#CCN(C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)C(C)C ZINC000931664445 760923986 /nfs/dbraw/zinc/92/39/86/760923986.db2.gz RLSMQTYBSZWEAY-UHFFFAOYSA-N -1 1 355.360 3.049 20 30 FGEDMM CC(C)N(CCC#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000570750748 505572205 /nfs/dbraw/zinc/57/22/05/505572205.db2.gz KLTXHSWQDVOANB-UHFFFAOYSA-N -1 1 362.227 3.467 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000029330745 493833960 /nfs/dbraw/zinc/83/39/60/493833960.db2.gz OVBLQWHSBKVHRF-UHFFFAOYSA-N -1 1 365.480 3.473 20 30 FGEDMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000065832872 494244543 /nfs/dbraw/zinc/24/45/43/494244543.db2.gz BHNCFSVBRUKOLT-UHFFFAOYSA-N -1 1 374.462 3.301 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1 ZINC000066445518 494337450 /nfs/dbraw/zinc/33/74/50/494337450.db2.gz PQPDXWGBPSDDKZ-QGZVFWFLSA-N -1 1 368.418 3.087 20 30 FGEDMM CC(C)(C)OC(=O)N(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)CC1CC1 ZINC000079700473 494511002 /nfs/dbraw/zinc/51/10/02/494511002.db2.gz OKZMKESQUKQZEW-UHFFFAOYSA-N -1 1 363.340 3.059 20 30 FGEDMM C=CCN(CC=C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000022406338 494522308 /nfs/dbraw/zinc/52/23/08/494522308.db2.gz ZCOARBHZZSJYNO-UHFFFAOYSA-N -1 1 356.447 3.302 20 30 FGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000026547787 494832065 /nfs/dbraw/zinc/83/20/65/494832065.db2.gz HBYZCEMWCCRWFC-UHFFFAOYSA-N -1 1 357.435 3.247 20 30 FGEDMM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cn2)cc1 ZINC000109413013 494871045 /nfs/dbraw/zinc/87/10/45/494871045.db2.gz NTZBNSZMUODBQK-QGZVFWFLSA-N -1 1 371.400 3.306 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC000134082664 495103208 /nfs/dbraw/zinc/10/32/08/495103208.db2.gz BVIBKHTVJKYHMT-RTBURBONSA-N -1 1 372.446 3.041 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000114673585 495407953 /nfs/dbraw/zinc/40/79/53/495407953.db2.gz KDFITZVXPSREQK-SFHVURJKSA-N -1 1 372.446 3.225 20 30 FGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C#N ZINC000137339381 495437457 /nfs/dbraw/zinc/43/74/57/495437457.db2.gz CUHOOKWBTXKDJX-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000154288255 495569715 /nfs/dbraw/zinc/56/97/15/495569715.db2.gz WUJYMVZLLZAXRQ-UHFFFAOYSA-N -1 1 370.308 3.076 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000185701956 495687904 /nfs/dbraw/zinc/68/79/04/495687904.db2.gz UHOLLQFBOIXVJU-CYBMUJFWSA-N -1 1 364.389 3.212 20 30 FGEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000174055751 495804103 /nfs/dbraw/zinc/80/41/03/495804103.db2.gz ISUGNNRIIBPRHH-UHFFFAOYSA-N -1 1 374.462 3.221 20 30 FGEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000184039278 496215029 /nfs/dbraw/zinc/21/50/29/496215029.db2.gz ITGFHKQCDVOGHW-AWEZNQCLSA-N -1 1 372.446 3.019 20 30 FGEDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)n1 ZINC000184928867 496589894 /nfs/dbraw/zinc/58/98/94/496589894.db2.gz YWZKJWLHIPJJJH-AWEZNQCLSA-N -1 1 367.883 3.406 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(CN3CCc4ccccc43)CC2)cc1[O-] ZINC000188385096 496771940 /nfs/dbraw/zinc/77/19/40/496771940.db2.gz ZTWMFSLUYMGFCV-UHFFFAOYSA-N -1 1 361.445 3.179 20 30 FGEDMM C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000188473158 496801188 /nfs/dbraw/zinc/80/11/88/496801188.db2.gz NFOUGOWJJOJHSN-UZLBHIALSA-N -1 1 363.461 3.389 20 30 FGEDMM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188593765 496844887 /nfs/dbraw/zinc/84/48/87/496844887.db2.gz ZPVHLWOJOVOIPG-HXUWFJFHSA-N -1 1 364.445 3.436 20 30 FGEDMM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000189060766 496995347 /nfs/dbraw/zinc/99/53/47/496995347.db2.gz UFPMSDCHRFUBBT-WMZOPIPTSA-N -1 1 355.825 3.092 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000189124043 497015303 /nfs/dbraw/zinc/01/53/03/497015303.db2.gz SOGPVZXCQNSPQZ-DOTOQJQBSA-N -1 1 360.772 3.316 20 30 FGEDMM Cc1ccc(/N=C/c2ccc(O)c([O-])c2O)cc1C(=O)N1CCCCC1 ZINC000278325310 497075817 /nfs/dbraw/zinc/07/58/17/497075817.db2.gz UJDVNTMRAAPGRF-CIAFOILYSA-N -1 1 354.406 3.489 20 30 FGEDMM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000230224560 497103868 /nfs/dbraw/zinc/10/38/68/497103868.db2.gz UKTLVTRFXSJWJQ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cc1[O-] ZINC000190780235 497602373 /nfs/dbraw/zinc/60/23/73/497602373.db2.gz UXDDOQDSXSFNIR-UHFFFAOYSA-N -1 1 357.797 3.066 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2ccccc2OCC(F)(F)F)cc1[O-] ZINC000190911106 497642942 /nfs/dbraw/zinc/64/29/42/497642942.db2.gz HZLVTDOPTWEMNF-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM CN(Cc1csc(Br)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190998590 497678580 /nfs/dbraw/zinc/67/85/80/497678580.db2.gz LUSMLBVZFQSENI-UHFFFAOYSA-N -1 1 351.225 3.360 20 30 FGEDMM CCc1ccc([C@H](C#N)NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000290191210 498457100 /nfs/dbraw/zinc/45/71/00/498457100.db2.gz MNKYAVJJIKRAEM-INIZCTEOSA-N -1 1 370.478 3.089 20 30 FGEDMM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000323617872 498821714 /nfs/dbraw/zinc/82/17/14/498821714.db2.gz MNHXFQPYWPWVAA-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000288448858 499027648 /nfs/dbraw/zinc/02/76/48/499027648.db2.gz JCVBJGZXAMYLKN-GFCCVEGCSA-N -1 1 370.496 3.022 20 30 FGEDMM N#Cc1cccc(OC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)c1 ZINC000377622441 499711679 /nfs/dbraw/zinc/71/16/79/499711679.db2.gz CUKCZQGIERSQFN-UHFFFAOYSA-N -1 1 358.344 3.226 20 30 FGEDMM C=C(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000429392343 500067620 /nfs/dbraw/zinc/06/76/20/500067620.db2.gz HITYLLOMHOXBCA-UHFFFAOYSA-N -1 1 362.426 3.241 20 30 FGEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccccc1F ZINC000429568418 500105239 /nfs/dbraw/zinc/10/52/39/500105239.db2.gz PSSGQXYPEDSUBG-CYBMUJFWSA-N -1 1 374.379 3.390 20 30 FGEDMM O=S(=O)([N-]Cc1c(F)cc(F)c(F)c1F)c1ccc(F)c(F)c1F ZINC000429912218 500165956 /nfs/dbraw/zinc/16/59/56/500165956.db2.gz VRTODAPHGFRBFK-UHFFFAOYSA-N -1 1 373.249 3.139 20 30 FGEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427109119 500355112 /nfs/dbraw/zinc/35/51/12/500355112.db2.gz PSRLYXXLDXGIFF-UHFFFAOYSA-N -1 1 373.409 3.155 20 30 FGEDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2O1 ZINC000427309392 500380336 /nfs/dbraw/zinc/38/03/36/500380336.db2.gz TWUQEVALXRQMPI-UHFFFAOYSA-N -1 1 374.393 3.242 20 30 FGEDMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)o1 ZINC000428002845 500456915 /nfs/dbraw/zinc/45/69/15/500456915.db2.gz AASUVGIRCIAUIT-UHFFFAOYSA-N -1 1 367.386 3.204 20 30 FGEDMM C=C[C@H]1CCCCN1C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000428035436 500460929 /nfs/dbraw/zinc/46/09/29/500460929.db2.gz FZRXNOVPWPHHHU-INIZCTEOSA-N -1 1 352.438 3.052 20 30 FGEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000428044986 500461993 /nfs/dbraw/zinc/46/19/93/500461993.db2.gz WQZLWDZKJVQXJW-LLVKDONJSA-N -1 1 357.191 3.178 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000443420986 500723236 /nfs/dbraw/zinc/72/32/36/500723236.db2.gz BCUOMDHTROXLRS-UHFFFAOYSA-N -1 1 358.463 3.308 20 30 FGEDMM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435489111 500984505 /nfs/dbraw/zinc/98/45/05/500984505.db2.gz ISIODAAPKTZYPN-UHFFFAOYSA-N -1 1 369.855 3.422 20 30 FGEDMM N#CC1(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CCC1 ZINC000436553000 501155183 /nfs/dbraw/zinc/15/51/83/501155183.db2.gz YZGOEHRTVTWVDE-UHFFFAOYSA-N -1 1 371.343 3.099 20 30 FGEDMM N#Cc1ccc(OC2CCC(NC(=O)c3ccc(Cl)cc3[O-])CC2)nc1 ZINC000436696792 501190574 /nfs/dbraw/zinc/19/05/74/501190574.db2.gz HZQHBYQBIUQADR-UHFFFAOYSA-N -1 1 371.824 3.432 20 30 FGEDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000464363184 501967508 /nfs/dbraw/zinc/96/75/08/501967508.db2.gz SIPPPFQSHABFMU-ZCFIWIBFSA-N -1 1 353.259 3.464 20 30 FGEDMM C=CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000468371317 502038952 /nfs/dbraw/zinc/03/89/52/502038952.db2.gz ISXULWXGYVRPNN-UHFFFAOYSA-N -1 1 362.426 3.323 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c(Cl)c1 ZINC000486557899 502190648 /nfs/dbraw/zinc/19/06/48/502190648.db2.gz IJDKITKBFPWFBQ-UHFFFAOYSA-N -1 1 350.762 3.028 20 30 FGEDMM CC(C)COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000475584288 502218388 /nfs/dbraw/zinc/21/83/88/502218388.db2.gz BTMLRAGCYKXGPZ-INIZCTEOSA-N -1 1 368.499 3.387 20 30 FGEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc2cc(F)ccc2s1 ZINC000592974297 506317469 /nfs/dbraw/zinc/31/74/69/506317469.db2.gz PZRQXDNYCDSALN-CYBMUJFWSA-N -1 1 368.393 3.094 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[nH][n-]2)s1 ZINC000506181387 503064480 /nfs/dbraw/zinc/06/44/80/503064480.db2.gz AUXHKODTCKBSJU-SFHVURJKSA-N -1 1 374.466 3.069 20 30 FGEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000508083297 503426909 /nfs/dbraw/zinc/42/69/09/503426909.db2.gz JHUPTMSEOJZNJI-GFCCVEGCSA-N -1 1 371.286 3.446 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000508793909 503565740 /nfs/dbraw/zinc/56/57/40/503565740.db2.gz IDZPSLYOXVOCRG-LBPRGKRZSA-N -1 1 350.353 3.080 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000539616427 504629707 /nfs/dbraw/zinc/62/97/07/504629707.db2.gz JVMMNGZCPPEPBU-CYBMUJFWSA-N -1 1 374.441 3.366 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000565062288 504784769 /nfs/dbraw/zinc/78/47/69/504784769.db2.gz CEZFFGXBBQNHIF-UHFFFAOYSA-N -1 1 374.437 3.030 20 30 FGEDMM CCc1nc(SCC(=O)Nc2cc(Cl)ccc2C#N)[n-]c(=O)c1C ZINC000563440834 505142139 /nfs/dbraw/zinc/14/21/39/505142139.db2.gz VDXTVIQCRKYWMY-UHFFFAOYSA-N -1 1 362.842 3.309 20 30 FGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000589203013 506481127 /nfs/dbraw/zinc/48/11/27/506481127.db2.gz DRPCKGXHIQRLLT-MJGOQNOKSA-N -1 1 354.381 3.395 20 30 FGEDMM CC1(C)[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@H]1OCc1ccccc1 ZINC000589205332 506483376 /nfs/dbraw/zinc/48/33/76/506483376.db2.gz SVCCASULXWPMLV-RTBURBONSA-N -1 1 350.418 3.378 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000589209317 506484780 /nfs/dbraw/zinc/48/47/80/506484780.db2.gz NQUXMAXDXPTOJZ-QGZVFWFLSA-N -1 1 360.772 3.270 20 30 FGEDMM CN(CCc1cccc(Br)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589736522 506639229 /nfs/dbraw/zinc/63/92/29/506639229.db2.gz OUMVJBUOSHWNFE-UHFFFAOYSA-N -1 1 359.223 3.341 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c1 ZINC000590417317 506816458 /nfs/dbraw/zinc/81/64/58/506816458.db2.gz VZLNVBXYCPBLIN-UHFFFAOYSA-N -1 1 370.412 3.474 20 30 FGEDMM COC[C@@H](C)N(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCc2ccccc21 ZINC000600793625 507124640 /nfs/dbraw/zinc/12/46/40/507124640.db2.gz RCTFKYLBXAVAJK-KUHUBIRLSA-N -1 1 350.418 3.428 20 30 FGEDMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)nn1 ZINC000610194553 507134423 /nfs/dbraw/zinc/13/44/23/507134423.db2.gz KTWZPBMXSVLVJF-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F ZINC000594481873 507148721 /nfs/dbraw/zinc/14/87/21/507148721.db2.gz YYTMEAAGCHZLAV-CQSZACIVSA-N -1 1 374.340 3.050 20 30 FGEDMM N#CC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)c2ncco2)CCCCC1 ZINC000594487092 507150428 /nfs/dbraw/zinc/15/04/28/507150428.db2.gz CVZOGGZRFGDMCK-QGZVFWFLSA-N -1 1 373.478 3.352 20 30 FGEDMM COC(=O)c1cccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c1C#N ZINC000601088587 507256688 /nfs/dbraw/zinc/25/66/88/507256688.db2.gz UYCGVCSKWGVUJV-UHFFFAOYSA-N -1 1 355.419 3.319 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)n[nH]1 ZINC000610769247 507384064 /nfs/dbraw/zinc/38/40/64/507384064.db2.gz YDFWAQPYLPYPFK-UHFFFAOYSA-N -1 1 366.446 3.176 20 30 FGEDMM N#CC(CCc1ccccc1)=C([O-])N=c1ccn(C2CCSCC2)[nH]1 ZINC000601719739 507440053 /nfs/dbraw/zinc/44/00/53/507440053.db2.gz RXKMTHVTLOAZFI-MRXNPFEDSA-N -1 1 354.479 3.084 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000614293958 507443706 /nfs/dbraw/zinc/44/37/06/507443706.db2.gz GIIFAHGPOUPVDK-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 ZINC000614293686 507444138 /nfs/dbraw/zinc/44/41/38/507444138.db2.gz SUAYNMMXIZTESV-UHFFFAOYSA-N -1 1 364.323 3.273 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCCc2nc(-c3ccncc3)cs2)c1 ZINC000614298069 507446197 /nfs/dbraw/zinc/44/61/97/507446197.db2.gz AWWMHHUBRKWPKA-UHFFFAOYSA-N -1 1 364.430 3.145 20 30 FGEDMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCC[C@H]1C#N ZINC000601818559 507471749 /nfs/dbraw/zinc/47/17/49/507471749.db2.gz OHMSYIYTQPKZGK-GWCFXTLKSA-N -1 1 374.238 3.467 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000614373879 507484511 /nfs/dbraw/zinc/48/45/11/507484511.db2.gz UKGOWBLZXSQHSL-HNNXBMFYSA-N -1 1 356.179 3.021 20 30 FGEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1Cl ZINC000737084148 599068171 /nfs/dbraw/zinc/06/81/71/599068171.db2.gz XWSYQYPETISXRW-UHFFFAOYSA-N -1 1 361.793 3.086 20 30 FGEDMM Cc1ccc2[nH]cc(CN=Nc3oc(C(C)C)nc3-c3nn[n-]n3)c2c1 ZINC000737373230 599285757 /nfs/dbraw/zinc/28/57/57/599285757.db2.gz QJVYAJFPUQVSRO-UHFFFAOYSA-N -1 1 350.386 3.214 20 30 FGEDMM CCc1[nH]ncc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000737247905 599729284 /nfs/dbraw/zinc/72/92/84/599729284.db2.gz URAIVZHQEWJKQI-UHFFFAOYSA-N -1 1 359.385 3.322 20 30 FGEDMM Cc1cc(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n[nH]1 ZINC000738389628 600228080 /nfs/dbraw/zinc/22/80/80/600228080.db2.gz RAZYGENNXJDOEV-UHFFFAOYSA-N -1 1 374.400 3.138 20 30 FGEDMM CCOc1cc2c(cc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000737195167 600591052 /nfs/dbraw/zinc/59/10/52/600591052.db2.gz RHOADBPLKKYFLP-RNODOKPDSA-N -1 1 366.417 3.196 20 30 FGEDMM CCOc1cc2c(cc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1)O[C@H](C)C2 ZINC000830053937 601298321 /nfs/dbraw/zinc/29/83/21/601298321.db2.gz FLXPAMIPTAMSLA-XCLFUZPHSA-N -1 1 366.417 3.196 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000827218909 602224238 /nfs/dbraw/zinc/22/42/38/602224238.db2.gz VDAUJFLWTKHUKG-MLGOLLRUSA-N -1 1 363.483 3.108 20 30 FGEDMM CC(C)(C)OC(=O)NC[C@](C)(NCc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833437532 604617915 /nfs/dbraw/zinc/61/79/15/604617915.db2.gz AFYVMUUSKKORNG-FQEVSTJZSA-N -1 1 373.453 3.039 20 30 FGEDMM C=C(Br)CN[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000833367846 604949677 /nfs/dbraw/zinc/94/96/77/604949677.db2.gz WURSBYOINZNTHF-LBPRGKRZSA-N -1 1 363.049 3.247 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000833812071 605423841 /nfs/dbraw/zinc/42/38/41/605423841.db2.gz GXLQGZDNBNPFNW-AAEUAGOBSA-N -1 1 366.259 3.189 20 30 FGEDMM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403145 608094188 /nfs/dbraw/zinc/09/41/88/608094188.db2.gz KYTXIXDNUOOGCX-SNAWJCMRSA-N -1 1 366.431 3.343 20 30 FGEDMM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403145 608094189 /nfs/dbraw/zinc/09/41/89/608094189.db2.gz KYTXIXDNUOOGCX-SNAWJCMRSA-N -1 1 366.431 3.343 20 30 FGEDMM N#Cc1ccc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)nn3)cc2)cc1 ZINC000826386217 608428638 /nfs/dbraw/zinc/42/86/38/608428638.db2.gz URQTYNFHLKBGHS-UHFFFAOYSA-N -1 1 357.333 3.113 20 30 FGEDMM N#Cc1ccc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)nn3)cc2)cc1 ZINC000826386217 608428640 /nfs/dbraw/zinc/42/86/40/608428640.db2.gz URQTYNFHLKBGHS-UHFFFAOYSA-N -1 1 357.333 3.113 20 30 FGEDMM Cc1[nH]c2ccc(F)cc2c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826233824 609449344 /nfs/dbraw/zinc/44/93/44/609449344.db2.gz XBUPSJRPUNRMNA-UHFFFAOYSA-N -1 1 368.376 3.353 20 30 FGEDMM CC(=NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC000823958458 609470406 /nfs/dbraw/zinc/47/04/06/609470406.db2.gz NRBLWYQDAOVZCB-UHFFFAOYSA-N -1 1 364.743 3.340 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@H](C)C#N ZINC000023416808 695662080 /nfs/dbraw/zinc/66/20/80/695662080.db2.gz HRIDCFUDGBOYLI-GFCCVEGCSA-N -1 1 362.382 3.004 20 30 FGEDMM N#C[C@H](C(=O)[C@H]1CC=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707316 695845674 /nfs/dbraw/zinc/84/56/74/695845674.db2.gz ZINYBGFROUJWMI-WCQYABFASA-N -1 1 353.447 3.396 20 30 FGEDMM N#C[C@@H](C(=O)C[C@@H]1C=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362205 695857940 /nfs/dbraw/zinc/85/79/40/695857940.db2.gz UVWYPMGXIFMRTD-YPMHNXCESA-N -1 1 353.447 3.396 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000122184258 700685741 /nfs/dbraw/zinc/68/57/41/700685741.db2.gz SLYNUKKJCJGIRX-OAHLLOKOSA-N -1 1 362.382 3.085 20 30 FGEDMM C=CCn1c(Cc2csc(NC(=O)CCCSC)n2)n[n-]c1=S ZINC000126436691 700748273 /nfs/dbraw/zinc/74/82/73/700748273.db2.gz VXJICXYAJASMMF-UHFFFAOYSA-N -1 1 369.541 3.256 20 30 FGEDMM CC[C@H](SC)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156277909 705109417 /nfs/dbraw/zinc/10/94/17/705109417.db2.gz PHTVUVUYJBFMMF-QWRGUYRKSA-N -1 1 361.492 3.181 20 30 FGEDMM Cc1nc(NC(=O)c2cc(C#N)cs2)sc1-c1n[n-]c(=S)n1C ZINC000175755048 705558137 /nfs/dbraw/zinc/55/81/37/705558137.db2.gz QQDLAUWXRKKXNC-UHFFFAOYSA-N -1 1 362.465 3.095 20 30 FGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179028276 705685541 /nfs/dbraw/zinc/68/55/41/705685541.db2.gz XLFJYCNEMLNBLI-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM C#CCCCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000180733189 705755396 /nfs/dbraw/zinc/75/53/96/705755396.db2.gz QDOVCHLZIJCHSB-ZDUSSCGKSA-N -1 1 353.447 3.233 20 30 FGEDMM N#CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000194231241 713515168 /nfs/dbraw/zinc/51/51/68/713515168.db2.gz YDIVGJKYPKJZST-UHFFFAOYSA-N -1 1 362.382 3.087 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)nc1 ZINC000255237149 713688396 /nfs/dbraw/zinc/68/83/96/713688396.db2.gz WWHBBNIVDNZZKE-SREVYHEPSA-N -1 1 364.224 3.128 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccc(F)cc3)n2)c(=O)o1 ZINC000255756108 713706308 /nfs/dbraw/zinc/70/63/08/713706308.db2.gz NZNWRXNMCDQILH-MWWKQMNYSA-N -1 1 357.362 3.177 20 30 FGEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617037746 714624562 /nfs/dbraw/zinc/62/45/62/714624562.db2.gz QEKPQBILTWSLFB-ZIAGYGMSSA-N -1 1 368.499 3.221 20 30 FGEDMM C#C[C@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccc(Cl)cc1F ZINC000804422826 724515521 /nfs/dbraw/zinc/51/55/21/724515521.db2.gz YJGQDZYGCSWHKO-LBPRGKRZSA-N -1 1 365.817 3.109 20 30 FGEDMM C=CCC1(NC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000666201209 720903506 /nfs/dbraw/zinc/90/35/06/720903506.db2.gz QTGXGQMJYCOEPE-UHFFFAOYSA-N -1 1 367.471 3.077 20 30 FGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000783264579 724743178 /nfs/dbraw/zinc/74/31/78/724743178.db2.gz VOJHWNAXSZZZMK-CYBMUJFWSA-N -1 1 358.419 3.238 20 30 FGEDMM C#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000727040056 722440472 /nfs/dbraw/zinc/44/04/72/722440472.db2.gz ZYVCAEPVSMDWGY-UHFFFAOYSA-N -1 1 367.785 3.070 20 30 FGEDMM C[C@@H](Oc1cccc(C=NNc2ccc(Br)cn2)c1)C(=O)[O-] ZINC000727263144 722442842 /nfs/dbraw/zinc/44/28/42/722442842.db2.gz OQJDOHBPPJEQOL-SNVBAGLBSA-N -1 1 364.199 3.142 20 30 FGEDMM CC#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000744622663 722578920 /nfs/dbraw/zinc/57/89/20/722578920.db2.gz HSASZAKQQKRZEK-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000746492024 722604919 /nfs/dbraw/zinc/60/49/19/722604919.db2.gz MVSHMOJJSZZOPX-UHFFFAOYSA-N -1 1 367.814 3.092 20 30 FGEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000748253840 722681841 /nfs/dbraw/zinc/68/18/41/722681841.db2.gz SQPIVQBFIXGOHK-UHFFFAOYSA-N -1 1 367.814 3.341 20 30 FGEDMM Cn1nc(C(F)(F)F)c(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c1Cl ZINC000758929140 722996913 /nfs/dbraw/zinc/99/69/13/722996913.db2.gz AWUQSWSALSJWGE-HYXAFXHYSA-N -1 1 374.702 3.392 20 30 FGEDMM Cc1sc2ncn(N=Cc3c([O-])ccc(Cl)c3F)c(=O)c2c1C ZINC000790147961 723109930 /nfs/dbraw/zinc/10/99/30/723109930.db2.gz NTNUBFWWLJECKJ-UHFFFAOYSA-N -1 1 351.790 3.455 20 30 FGEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC#Cc1ccccc1 ZINC000791343482 723232385 /nfs/dbraw/zinc/23/23/85/723232385.db2.gz MVVSCIDKPUMBNO-UHFFFAOYSA-N -1 1 357.431 3.047 20 30 FGEDMM O=C([O-])c1ccc2c(C=NNc3ccc(Br)cc3)n[nH]c2c1 ZINC000765573598 723524692 /nfs/dbraw/zinc/52/46/92/723524692.db2.gz YVTHHSPXWCOWCK-UHFFFAOYSA-N -1 1 359.183 3.470 20 30 FGEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000794900143 723551180 /nfs/dbraw/zinc/55/11/80/723551180.db2.gz WMOGATUMFVEIJX-UHFFFAOYSA-N -1 1 361.423 3.137 20 30 FGEDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000795382296 723586819 /nfs/dbraw/zinc/58/68/19/723586819.db2.gz SJWPJDIVTZGKHG-VIFPVBQESA-N -1 1 354.790 3.205 20 30 FGEDMM CCc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c(C)o1 ZINC000796791750 723655106 /nfs/dbraw/zinc/65/51/06/723655106.db2.gz HBRMMMICFSYYKQ-NSHDSACASA-N -1 1 361.785 3.169 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OCC2CC2)c(=O)o1 ZINC000797404626 723812463 /nfs/dbraw/zinc/81/24/63/723812463.db2.gz HIJYRGDDMHUKAW-SUZKBHRPSA-N -1 1 360.793 3.357 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)c1 ZINC000775728832 724032380 /nfs/dbraw/zinc/03/23/80/724032380.db2.gz XRMDSYFQZJVSAO-UHFFFAOYSA-N -1 1 358.463 3.435 20 30 FGEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776380176 724138173 /nfs/dbraw/zinc/13/81/73/724138173.db2.gz FINDTMPSUSZRPD-KRWDZBQOSA-N -1 1 364.467 3.468 20 30 FGEDMM Cc1[nH]c(C=Nn2c(SCc3ccccc3)n[nH]c2=S)cc1C(=O)[O-] ZINC000800807911 724230335 /nfs/dbraw/zinc/23/03/35/724230335.db2.gz CHZNRDVSBZOSSA-UHFFFAOYSA-N -1 1 373.463 3.076 20 30 FGEDMM CC#CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000785490561 724916809 /nfs/dbraw/zinc/91/68/09/724916809.db2.gz YNWSKYWORLPJPZ-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(Cl)c1 ZINC000787158254 725018222 /nfs/dbraw/zinc/01/82/22/725018222.db2.gz SJKNRDNUZDOGQL-UHFFFAOYSA-N -1 1 359.816 3.012 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 ZINC000809581932 725249492 /nfs/dbraw/zinc/24/94/92/725249492.db2.gz QLNYDHKQGVNYDD-UHFFFAOYSA-N -1 1 355.781 3.296 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810100806 725288794 /nfs/dbraw/zinc/28/87/94/725288794.db2.gz UPXGFAWPEUEYPI-CYBMUJFWSA-N -1 1 368.773 3.040 20 30 FGEDMM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000810529826 725312833 /nfs/dbraw/zinc/31/28/33/725312833.db2.gz OTBICQCTYAVVRK-ZDUSSCGKSA-N -1 1 357.435 3.294 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)o1 ZINC000811684655 725376730 /nfs/dbraw/zinc/37/67/30/725376730.db2.gz AGOXVVGZVLTIAB-IBUXWKBASA-N -1 1 370.144 3.130 20 30 FGEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC[C@H]2CCCOC2)cc1 ZINC000814830091 727004577 /nfs/dbraw/zinc/00/45/77/727004577.db2.gz WOESWJSSHUXZNO-OAHLLOKOSA-N -1 1 359.451 3.312 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCCC12CCCC2 ZINC000814863299 727006980 /nfs/dbraw/zinc/00/69/80/727006980.db2.gz ISZBZBQGSLSIJC-UHFFFAOYSA-N -1 1 351.428 3.364 20 30 FGEDMM O=C([O-])c1ccc(N=NC2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000835007225 729849610 /nfs/dbraw/zinc/84/96/10/729849610.db2.gz RFXUGSDBJFRHRZ-UHFFFAOYSA-N -1 1 358.829 3.497 20 30 FGEDMM C#CC1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000844046904 730681248 /nfs/dbraw/zinc/68/12/48/730681248.db2.gz LCSWPSWURLCKEW-UHFFFAOYSA-N -1 1 359.223 3.188 20 30 FGEDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000844663092 730748497 /nfs/dbraw/zinc/74/84/97/730748497.db2.gz RUGATBXVKVCLEM-GFCCVEGCSA-N -1 1 362.426 3.481 20 30 FGEDMM N#Cc1cnc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c2sccc21 ZINC000865818937 733274872 /nfs/dbraw/zinc/27/48/72/733274872.db2.gz ZATVHKVQALUJHD-SNVBAGLBSA-N -1 1 368.384 3.063 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000914600099 757809928 /nfs/dbraw/zinc/80/99/28/757809928.db2.gz NJONHYSAPKJOMY-UHFFFAOYSA-N -1 1 353.447 3.028 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Br ZINC000033906318 494064171 /nfs/dbraw/zinc/06/41/71/494064171.db2.gz FFEZFESUDKILEP-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000571000762 505629848 /nfs/dbraw/zinc/62/98/48/505629848.db2.gz GUYLASXSKQIESN-NSHDSACASA-N -1 1 372.290 3.196 20 30 FGEDMM C=C(C)COc1cccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000066463384 494340149 /nfs/dbraw/zinc/34/01/49/494340149.db2.gz DVYGHJKQEPCEBE-UHFFFAOYSA-N -1 1 373.478 3.326 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1OCC(F)(F)F ZINC000055595684 494369986 /nfs/dbraw/zinc/36/99/86/494369986.db2.gz WRLMPJYCQCETCY-UHFFFAOYSA-N -1 1 356.325 3.300 20 30 FGEDMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3cncc(C#N)c3)c2O1 ZINC000571395411 505723008 /nfs/dbraw/zinc/72/30/08/505723008.db2.gz VXGJJZYUXIUVKV-UHFFFAOYSA-N -1 1 363.826 3.121 20 30 FGEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1OC ZINC000121749667 494852250 /nfs/dbraw/zinc/85/22/50/494852250.db2.gz UDJYBOJBVSLWHK-UHFFFAOYSA-N -1 1 366.826 3.420 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000116858285 494863430 /nfs/dbraw/zinc/86/34/30/494863430.db2.gz OUIRDAPSXZYODX-HNNXBMFYSA-N -1 1 358.463 3.490 20 30 FGEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1ccc(C(F)(F)F)cn1 ZINC000580503343 505773025 /nfs/dbraw/zinc/77/30/25/505773025.db2.gz DISDQOGDJXMHKO-LLVKDONJSA-N -1 1 357.295 3.376 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000125343824 495429581 /nfs/dbraw/zinc/42/95/81/495429581.db2.gz DCXMYMGARSTUBE-LBPRGKRZSA-N -1 1 357.435 3.114 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1Cl ZINC000171014132 495690030 /nfs/dbraw/zinc/69/00/30/495690030.db2.gz SENOZZQIHUVIHP-UHFFFAOYSA-N -1 1 360.782 3.062 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3cc(F)cc(F)c3)nc(=O)c2c1C ZINC000155447784 495958736 /nfs/dbraw/zinc/95/87/36/495958736.db2.gz JLDHVEAJQOEDPL-GFCCVEGCSA-N -1 1 374.372 3.126 20 30 FGEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)n[nH]1 ZINC000160683113 496020017 /nfs/dbraw/zinc/02/00/17/496020017.db2.gz HPCFMTFZDZFJOP-UHFFFAOYSA-N -1 1 354.391 3.183 20 30 FGEDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]n1 ZINC000186610076 496071711 /nfs/dbraw/zinc/07/17/11/496071711.db2.gz PDILDNAORWRKEP-UHFFFAOYSA-N -1 1 352.847 3.324 20 30 FGEDMM CC[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000183809821 496123599 /nfs/dbraw/zinc/12/35/99/496123599.db2.gz NXAHXVQDAKMORD-INIZCTEOSA-N -1 1 371.462 3.218 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C#N ZINC000152642991 496212423 /nfs/dbraw/zinc/21/24/23/496212423.db2.gz LDGGLWQUBAHVCX-UHFFFAOYSA-N -1 1 352.362 3.424 20 30 FGEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000152770132 496251232 /nfs/dbraw/zinc/25/12/32/496251232.db2.gz CMHSKOBWPDGCCR-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172589649 496354187 /nfs/dbraw/zinc/35/41/87/496354187.db2.gz FGQQAEMRJRLTJO-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OC[C@@H]2CCCO2)c1 ZINC000172590032 496354761 /nfs/dbraw/zinc/35/47/61/496354761.db2.gz ZILURGXXFGDKMM-SFHVURJKSA-N -1 1 372.446 3.225 20 30 FGEDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000178328223 496415392 /nfs/dbraw/zinc/41/53/92/496415392.db2.gz DZNQXWKMAGKCKJ-UHFFFAOYSA-N -1 1 360.435 3.306 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000154058198 496670611 /nfs/dbraw/zinc/67/06/11/496670611.db2.gz FHGQVIMGMIFEMR-ZDUSSCGKSA-N -1 1 362.426 3.239 20 30 FGEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3Cl)CCOCC2)cc1[O-] ZINC000188291147 496743606 /nfs/dbraw/zinc/74/36/06/496743606.db2.gz IQVDCQWTGXYONW-UHFFFAOYSA-N -1 1 370.836 3.395 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)s1 ZINC000230348131 497104704 /nfs/dbraw/zinc/10/47/04/497104704.db2.gz RAFWQUATIVHHAU-UHFFFAOYSA-N -1 1 361.217 3.322 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)cc1[O-] ZINC000332336551 498654674 /nfs/dbraw/zinc/65/46/74/498654674.db2.gz NZRWYUFMZMOGHB-GFCCVEGCSA-N -1 1 364.327 3.026 20 30 FGEDMM Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc([O-])c(Cl)c3)C2)n1 ZINC000370047237 499171069 /nfs/dbraw/zinc/17/10/69/499171069.db2.gz WOHZUOKRAFIGOK-AWEZNQCLSA-N -1 1 370.840 3.476 20 30 FGEDMM C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371983068 499386824 /nfs/dbraw/zinc/38/68/24/499386824.db2.gz DSQPXBDUDUEFKD-NSHDSACASA-N -1 1 374.429 3.444 20 30 FGEDMM Cc1c(NS(=O)(=O)c2ccc(C#N)cc2Cl)cccc1C(=O)[O-] ZINC000391169732 499556551 /nfs/dbraw/zinc/55/65/51/499556551.db2.gz FLIKGFLGEZKZMY-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM COc1cc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc(Cl)c1[O-] ZINC000408267864 499582599 /nfs/dbraw/zinc/58/25/99/499582599.db2.gz GKESZDVXMPHSOH-CRAIPNDOSA-N -1 1 364.829 3.122 20 30 FGEDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000421160337 499976981 /nfs/dbraw/zinc/97/69/81/499976981.db2.gz VMANXPYPFNNLEY-ZDUSSCGKSA-N -1 1 364.389 3.380 20 30 FGEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000579428650 506171075 /nfs/dbraw/zinc/17/10/75/506171075.db2.gz NYBLYDNXQLJLAE-UHFFFAOYSA-N -1 1 360.211 3.345 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2nc(C)cs2)c(F)c1 ZINC000416967544 500168823 /nfs/dbraw/zinc/16/88/23/500168823.db2.gz XHBXMLNSUVZYTM-LLVKDONJSA-N -1 1 355.416 3.427 20 30 FGEDMM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccn1 ZINC000442984668 500659137 /nfs/dbraw/zinc/65/91/37/500659137.db2.gz UJZZQOQJYMFYOY-AWEZNQCLSA-N -1 1 353.422 3.402 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000443419367 500722324 /nfs/dbraw/zinc/72/23/24/500722324.db2.gz QYAGASDGKQBGKR-UHFFFAOYSA-N -1 1 356.447 3.125 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(NC(C)=O)ccc2C)n1 ZINC000444460165 500850132 /nfs/dbraw/zinc/85/01/32/500850132.db2.gz YYCOGDUYUAIHEW-AWEZNQCLSA-N -1 1 371.418 3.077 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000439248067 500874685 /nfs/dbraw/zinc/87/46/85/500874685.db2.gz PVKKVMCHBIULEO-UHFFFAOYSA-N -1 1 366.240 3.163 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2)ccc1C#N ZINC000435754801 501022934 /nfs/dbraw/zinc/02/29/34/501022934.db2.gz FZLZNKJXUFNAAM-UHFFFAOYSA-N -1 1 371.462 3.053 20 30 FGEDMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1C#N ZINC000451086611 501244440 /nfs/dbraw/zinc/24/44/40/501244440.db2.gz NBAZSCOBVXDHIP-UHFFFAOYSA-N -1 1 374.418 3.265 20 30 FGEDMM C[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000467926579 501908415 /nfs/dbraw/zinc/90/84/15/501908415.db2.gz IWHSRBRBMQZSGS-NSHDSACASA-N -1 1 363.826 3.239 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](CO)c2c(Cl)cccc2Cl)cc1[O-] ZINC000478447497 501985171 /nfs/dbraw/zinc/98/51/71/501985171.db2.gz KKLHSKLUTIYREJ-CYBMUJFWSA-N -1 1 351.189 3.034 20 30 FGEDMM CC(C)N(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592875648 506286736 /nfs/dbraw/zinc/28/67/36/506286736.db2.gz ZWPQSXFKPKLEBU-HXUWFJFHSA-N -1 1 363.461 3.389 20 30 FGEDMM C[C@]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)(C1CC1)C(F)(F)F ZINC000479157942 502179072 /nfs/dbraw/zinc/17/90/72/502179072.db2.gz YWPDOKMGIWFSAN-LBPRGKRZSA-N -1 1 352.765 3.221 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000465465345 502271982 /nfs/dbraw/zinc/27/19/82/502271982.db2.gz KCOSKUXQUZJXNL-CYBMUJFWSA-N -1 1 362.426 3.239 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000513390852 502923582 /nfs/dbraw/zinc/92/35/82/502923582.db2.gz UEEPRBOLPNRHSJ-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM C=CCn1c(SCc2nn[n-]n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000497369974 502940488 /nfs/dbraw/zinc/94/04/88/502940488.db2.gz NLYWYFAXMSEVGQ-UHFFFAOYSA-N -1 1 355.471 3.234 20 30 FGEDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F ZINC000489642416 503003677 /nfs/dbraw/zinc/00/36/77/503003677.db2.gz QPTASXJKFHCFET-LURJTMIESA-N -1 1 369.258 3.201 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccncc3)c2C(F)F)n1 ZINC000489899800 503060374 /nfs/dbraw/zinc/06/03/74/503060374.db2.gz VXNLHKMTVOFXRE-NSHDSACASA-N -1 1 359.361 3.460 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000498101931 503106649 /nfs/dbraw/zinc/10/66/49/503106649.db2.gz NZSOFUJVTWOKLQ-LLVKDONJSA-N -1 1 364.448 3.330 20 30 FGEDMM CC#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000498610354 503225306 /nfs/dbraw/zinc/22/53/06/503225306.db2.gz MQPVKDSINLKHMH-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM Cc1ncoc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000499285040 503372360 /nfs/dbraw/zinc/37/23/60/503372360.db2.gz CDUXBZJNTXYQMF-JTQLQIEISA-N -1 1 354.391 3.062 20 30 FGEDMM Cc1cccc2nc(C(C#N)=C([O-])c3cn(-c4ccc(F)cc4C)nn3)[nH]c21 ZINC000503404796 503402053 /nfs/dbraw/zinc/40/20/53/503402053.db2.gz YHANPIQXBRHDCT-CQSZACIVSA-N -1 1 374.379 3.390 20 30 FGEDMM N#CC(=C([O-])c1cc(OC(F)F)ccc1F)c1nnc2n1CCCCC2 ZINC000528931694 504456331 /nfs/dbraw/zinc/45/63/31/504456331.db2.gz YUUOOFYAQIFPNS-LBPRGKRZSA-N -1 1 364.327 3.235 20 30 FGEDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000542753944 504596254 /nfs/dbraw/zinc/59/62/54/504596254.db2.gz HCBIHHHGIQJBDX-LLVKDONJSA-N -1 1 354.781 3.467 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000532346881 504618542 /nfs/dbraw/zinc/61/85/42/504618542.db2.gz NYLACDFFSBYUKK-UHFFFAOYSA-N -1 1 359.451 3.498 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000553430171 504912890 /nfs/dbraw/zinc/91/28/90/504912890.db2.gz KXEOSLWTYLNMIK-OAHLLOKOSA-N -1 1 365.216 3.424 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)o1 ZINC000562890136 504977443 /nfs/dbraw/zinc/97/74/43/504977443.db2.gz SQZINYIQQVTHEZ-UHFFFAOYSA-N -1 1 364.386 3.495 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n[nH]c1-c1ccccc1 ZINC000563779079 505235876 /nfs/dbraw/zinc/23/58/76/505235876.db2.gz SKRMGNDRPSRNTE-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000552728461 505544796 /nfs/dbraw/zinc/54/47/96/505544796.db2.gz VXISZYIVDRLIPJ-UHFFFAOYSA-N -1 1 364.323 3.477 20 30 FGEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593200964 506459643 /nfs/dbraw/zinc/45/96/43/506459643.db2.gz TVFDZKFAXOGKKA-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM COc1cc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)ccc1OC(F)F ZINC000589157806 506463068 /nfs/dbraw/zinc/46/30/68/506463068.db2.gz KVHSODRIXDGVAO-UHFFFAOYSA-N -1 1 362.332 3.146 20 30 FGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000589163577 506464642 /nfs/dbraw/zinc/46/46/42/506464642.db2.gz SOKJOUJSICYONA-JTQLQIEISA-N -1 1 356.332 3.500 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000589175203 506471109 /nfs/dbraw/zinc/47/11/09/506471109.db2.gz GFNONCMGVYJPNJ-HZPDHXFCSA-N -1 1 357.207 3.312 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000589176561 506471669 /nfs/dbraw/zinc/47/16/69/506471669.db2.gz MFDBWYGBDXWKAR-QGZVFWFLSA-N -1 1 360.772 3.270 20 30 FGEDMM N#Cc1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000589586397 506592545 /nfs/dbraw/zinc/59/25/45/506592545.db2.gz JQLUYEXERXGZKS-UHFFFAOYSA-N -1 1 351.362 3.271 20 30 FGEDMM CC(C)C[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000608824218 506720717 /nfs/dbraw/zinc/72/07/17/506720717.db2.gz VYNQWVFRTOXWQT-QGZVFWFLSA-N -1 1 371.462 3.155 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[C@H](C)CC(=O)N2C ZINC000600665501 507054498 /nfs/dbraw/zinc/05/44/98/507054498.db2.gz UIMDBOOYEDWEAT-GFCCVEGCSA-N -1 1 369.446 3.138 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000597852449 507134304 /nfs/dbraw/zinc/13/43/04/507134304.db2.gz NQQYDIAFTYHGKQ-IBGZPJMESA-N -1 1 350.418 3.288 20 30 FGEDMM CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)[C@H](C)C#N ZINC000598346228 507386312 /nfs/dbraw/zinc/38/63/12/507386312.db2.gz GJDAFHJZRXPDFS-OAHLLOKOSA-N -1 1 371.462 3.170 20 30 FGEDMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614296889 507443954 /nfs/dbraw/zinc/44/39/54/507443954.db2.gz WTPGEBCFSDIBEH-NSHDSACASA-N -1 1 359.223 3.387 20 30 FGEDMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295581 507444292 /nfs/dbraw/zinc/44/42/92/507444292.db2.gz RZHDDTYNMMSMSO-UHFFFAOYSA-N -1 1 350.296 3.435 20 30 FGEDMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614300666 507446761 /nfs/dbraw/zinc/44/67/61/507446761.db2.gz QVOIQTPDAIVYCM-PXNSSMCTSA-N -1 1 350.418 3.470 20 30 FGEDMM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000611197906 507558848 /nfs/dbraw/zinc/55/88/48/507558848.db2.gz BDAIFSDTLZKIDW-LJQANCHMSA-N -1 1 373.416 3.261 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc3cc(F)ccc3o2)o1 ZINC000735939385 599127609 /nfs/dbraw/zinc/12/76/09/599127609.db2.gz OPIYMXKRKNVQRZ-UHFFFAOYSA-N -1 1 355.333 3.309 20 30 FGEDMM CC(CSC(C)(C)C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736047521 598276592 /nfs/dbraw/zinc/27/65/92/598276592.db2.gz RDFDVDPRQSGDGE-UHFFFAOYSA-N -1 1 351.480 3.472 20 30 FGEDMM CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000828587516 600750298 /nfs/dbraw/zinc/75/02/98/600750298.db2.gz SIRPCYNKZSYYAS-AUUYWEPGSA-N -1 1 372.396 3.431 20 30 FGEDMM Cc1sc(C(=O)[O-])cc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000833032116 601629030 /nfs/dbraw/zinc/62/90/30/601629030.db2.gz ZTHVASWIBODDQE-UHFFFAOYSA-N -1 1 360.435 3.142 20 30 FGEDMM N#CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000109417512 601834080 /nfs/dbraw/zinc/83/40/80/601834080.db2.gz WPZKWLSMTFYSRB-UHFFFAOYSA-N -1 1 368.773 3.044 20 30 FGEDMM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CCC(=O)[O-])CC1 ZINC000826014714 601845143 /nfs/dbraw/zinc/84/51/43/601845143.db2.gz UTHLHJCKISQTCJ-GFCCVEGCSA-N -1 1 363.845 3.115 20 30 FGEDMM O=C([O-])c1ccccc1N=NCc1nc2ccccn2c1Br ZINC000755600992 605099347 /nfs/dbraw/zinc/09/93/47/605099347.db2.gz LTNRGRGKYLFXNS-UHFFFAOYSA-N -1 1 359.183 3.241 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC000833812075 605424446 /nfs/dbraw/zinc/42/44/46/605424446.db2.gz GXLQGZDNBNPFNW-WCQYABFASA-N -1 1 366.259 3.189 20 30 FGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccccc1 ZINC000822015537 606389403 /nfs/dbraw/zinc/38/94/03/606389403.db2.gz MGDADUZKUPFRMT-CLFYSBASSA-N -1 1 362.418 3.318 20 30 FGEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)s1)CCCCC2 ZINC000822819129 606489328 /nfs/dbraw/zinc/48/93/28/606489328.db2.gz LJDQJEGHMREZHH-UHFFFAOYSA-N -1 1 370.463 3.383 20 30 FGEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)s1)CCCCC2 ZINC000822819129 606489330 /nfs/dbraw/zinc/48/93/30/606489330.db2.gz LJDQJEGHMREZHH-UHFFFAOYSA-N -1 1 370.463 3.383 20 30 FGEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1ccccc1F ZINC000825029150 609410439 /nfs/dbraw/zinc/41/04/39/609410439.db2.gz NRNSQXLWZNMQTG-UHFFFAOYSA-N -1 1 357.393 3.419 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c(C)c1C ZINC000122360567 700688576 /nfs/dbraw/zinc/68/85/76/700688576.db2.gz CMYUASFYRZKNKY-UHFFFAOYSA-N -1 1 364.398 3.154 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc([N+](=O)[O-])c1F ZINC000154260401 705028124 /nfs/dbraw/zinc/02/81/24/705028124.db2.gz IGBXFXKNPMPCSX-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM N#C[C@H](C(=O)CCC(F)(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000173916933 705476540 /nfs/dbraw/zinc/47/65/40/705476540.db2.gz BMWYVKLIEAVCAC-SECBINFHSA-N -1 1 369.368 3.382 20 30 FGEDMM CC(C)[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000176040082 705568573 /nfs/dbraw/zinc/56/85/73/705568573.db2.gz SVJIKWZPHBSUPW-QGZVFWFLSA-N -1 1 358.419 3.192 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC(C)(C)C#N)cc1 ZINC000181834935 705810932 /nfs/dbraw/zinc/81/09/32/705810932.db2.gz AJDHZBFQKYUFCZ-UHFFFAOYSA-N -1 1 358.419 3.255 20 30 FGEDMM CC[C@@H](CC#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000187942478 712757246 /nfs/dbraw/zinc/75/72/46/712757246.db2.gz OKNBSWGAPIBRPV-INIZCTEOSA-N -1 1 358.419 3.336 20 30 FGEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000194126972 713511109 /nfs/dbraw/zinc/51/11/09/713511109.db2.gz WOGXJYDBHAHWPR-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(F)c1 ZINC000523535325 714240232 /nfs/dbraw/zinc/24/02/32/714240232.db2.gz IZFWMRCQRZHRID-UHFFFAOYSA-N -1 1 352.362 3.424 20 30 FGEDMM COC(=O)c1ccc([O-])c(C=NNCc2ccc(C(F)(F)F)cc2)c1 ZINC000726737009 722437396 /nfs/dbraw/zinc/43/73/96/722437396.db2.gz DPPFIGMSQCBGSU-UHFFFAOYSA-N -1 1 352.312 3.321 20 30 FGEDMM Cc1ccc(N=NCc2cc(Br)ccc2OCC(=O)[O-])nc1 ZINC000727260468 722442701 /nfs/dbraw/zinc/44/27/01/722442701.db2.gz XQOZDIDBITUOBC-UHFFFAOYSA-N -1 1 364.199 3.062 20 30 FGEDMM N#CC1(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])CCCCC1 ZINC000730360701 722467758 /nfs/dbraw/zinc/46/77/58/722467758.db2.gz NMNHJWAGGZLNAY-UHFFFAOYSA-N -1 1 371.220 3.198 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cn1 ZINC000731783052 722478094 /nfs/dbraw/zinc/47/80/94/722478094.db2.gz WQZOLSVCFCTOSV-UHFFFAOYSA-N -1 1 356.451 3.134 20 30 FGEDMM CS(=O)(=O)c1ccccc1NN=Cc1ccc([O-])c(Br)c1 ZINC000731935670 722479509 /nfs/dbraw/zinc/47/95/09/722479509.db2.gz LBOGFRSWBOXLOC-UHFFFAOYSA-N -1 1 369.240 3.004 20 30 FGEDMM CC(=O)N(c1nc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cs1)C1CC1 ZINC000734303997 722505942 /nfs/dbraw/zinc/50/59/42/722505942.db2.gz CCECBJOMTHKRDF-GIDUJCDVSA-N -1 1 356.403 3.289 20 30 FGEDMM C=CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000744472956 722577408 /nfs/dbraw/zinc/57/74/08/722577408.db2.gz RDRKMMBPKSPCRJ-UHFFFAOYSA-N -1 1 351.811 3.484 20 30 FGEDMM N#C[C@H](C(=O)C1CC(F)(F)C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000753797210 722913654 /nfs/dbraw/zinc/91/36/54/722913654.db2.gz CZQPOASEXGSHLJ-SNVBAGLBSA-N -1 1 363.389 3.497 20 30 FGEDMM Cc1ccc(Cl)c2c1NC(=O)C2=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754709090 722944721 /nfs/dbraw/zinc/94/47/21/722944721.db2.gz JHILAKUFPQQFEE-UHFFFAOYSA-N -1 1 355.707 3.226 20 30 FGEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000755595196 722954730 /nfs/dbraw/zinc/95/47/30/722954730.db2.gz XLHLDFYTIXUJPM-LREOWRDNSA-N -1 1 356.321 3.424 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=C2CCc3c2c(Br)ccc3F)n1 ZINC000758090236 722984032 /nfs/dbraw/zinc/98/40/32/722984032.db2.gz OIDHYYZFBVISBB-UHFFFAOYSA-N -1 1 351.179 3.155 20 30 FGEDMM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2(C#N)CCCC2)CCCCC1 ZINC000759071999 722999076 /nfs/dbraw/zinc/99/90/76/722999076.db2.gz MVIKTNVYMVJHFL-UHFFFAOYSA-N -1 1 370.515 3.034 20 30 FGEDMM CC(N=Nc1nc2ccccn2n1)c1cc(Br)cc(F)c1[O-] ZINC000790199367 723113112 /nfs/dbraw/zinc/11/31/12/723113112.db2.gz ZGUYSLHPRVDZOK-UHFFFAOYSA-N -1 1 364.178 3.173 20 30 FGEDMM C=C(C)COCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000762579521 723257832 /nfs/dbraw/zinc/25/78/32/723257832.db2.gz RSOHNTNLPCJBLT-UHFFFAOYSA-N -1 1 350.415 3.062 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000794579902 723533030 /nfs/dbraw/zinc/53/30/30/723533030.db2.gz RPCLDUZUHMWYLZ-UHFFFAOYSA-N -1 1 359.407 3.122 20 30 FGEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cc(O)ccc2Br)c1 ZINC000769769672 723694670 /nfs/dbraw/zinc/69/46/70/723694670.db2.gz BZDXHJZLWIROCD-ORCRQEGFSA-N -1 1 363.163 3.455 20 30 FGEDMM Cc1ccc(C)c2c1CCCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000769779246 723694856 /nfs/dbraw/zinc/69/48/56/723694856.db2.gz ATWZJBLJILXHQX-UHFFFAOYSA-N -1 1 353.447 3.083 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OCC2CC2)c(=O)o1 ZINC000797404627 723812686 /nfs/dbraw/zinc/81/26/86/723812686.db2.gz HIJYRGDDMHUKAW-WLPBJKJWSA-N -1 1 360.793 3.357 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2cccc(Br)c2OC(F)F)n1 ZINC000776757548 724180127 /nfs/dbraw/zinc/18/01/27/724180127.db2.gz UVBWDPSFNCWZLU-UHFFFAOYSA-N -1 1 373.157 3.301 20 30 FGEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccccc1Br ZINC000786169275 724964686 /nfs/dbraw/zinc/96/46/86/724964686.db2.gz WIIYEDDSRYXMSM-LBPRGKRZSA-N -1 1 373.197 3.070 20 30 FGEDMM COC(C)(C)CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000786276958 724970995 /nfs/dbraw/zinc/97/09/95/724970995.db2.gz NZKXZHBEYPOVBT-NSHDSACASA-N -1 1 359.451 3.267 20 30 FGEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccccc1SC(C)(C)C ZINC000788430526 725063968 /nfs/dbraw/zinc/06/39/68/725063968.db2.gz WZLBYSXEDOGJCV-UHFFFAOYSA-N -1 1 356.455 3.159 20 30 FGEDMM O=C([O-])N[C@@H]1CC(=NNc2ccc(Br)cn2)c2ccccc21 ZINC000834158609 729757490 /nfs/dbraw/zinc/75/74/90/729757490.db2.gz UNJGTNIAYXNIGT-GFCCVEGCSA-N -1 1 361.199 3.373 20 30 FGEDMM CCOCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000835063734 729854580 /nfs/dbraw/zinc/85/45/80/729854580.db2.gz QCWUREJAMFTPHE-AWEZNQCLSA-N -1 1 357.435 3.258 20 30 FGEDMM CO[C@@H](CN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000853300698 731692552 /nfs/dbraw/zinc/69/25/52/731692552.db2.gz ZDUQBSKDKMRSNY-SFHVURJKSA-N -1 1 359.451 3.310 20 30 FGEDMM N#C[C@@]1(c2ccccn2)CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000869233783 733706750 /nfs/dbraw/zinc/70/67/50/733706750.db2.gz FQTRVNMCVFESJW-IBGZPJMESA-N -1 1 355.825 3.067 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)C#N)ccc2C)cc1 ZINC000916065264 758031814 /nfs/dbraw/zinc/03/18/14/758031814.db2.gz HMLIOHJTGFNFDX-AWEZNQCLSA-N -1 1 358.419 3.173 20 30 FGEDMM C[C@@H](C#N)C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000054157733 494201076 /nfs/dbraw/zinc/20/10/76/494201076.db2.gz AVKIKZHMAGIKTM-LURJTMIESA-N -1 1 372.071 3.194 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1F ZINC000580021251 505663259 /nfs/dbraw/zinc/66/32/59/505663259.db2.gz WTYFPEFFYZYPIF-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM O=C(C#Cc1ccccc1)N1CCC[C@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000081719927 493945678 /nfs/dbraw/zinc/94/56/78/493945678.db2.gz GTSIJJRAAFJFGS-HNNXBMFYSA-N -1 1 352.463 3.033 20 30 FGEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000070776201 494055266 /nfs/dbraw/zinc/05/52/66/494055266.db2.gz XKGBBPOQNJDKQH-AWEZNQCLSA-N -1 1 371.462 3.196 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(CNC(=O)NC(C)C)cc2)n1 ZINC000041518720 494166351 /nfs/dbraw/zinc/16/63/51/494166351.db2.gz VFYZUMQMBXCLBI-HNNXBMFYSA-N -1 1 356.451 3.149 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000077966261 494207156 /nfs/dbraw/zinc/20/71/56/494207156.db2.gz NEINDQOCDGWKJS-UHFFFAOYSA-N -1 1 352.419 3.068 20 30 FGEDMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1(C#N)CCC1 ZINC000066336320 494314997 /nfs/dbraw/zinc/31/49/97/494314997.db2.gz XEKSZQLEWWLVQB-UHFFFAOYSA-N -1 1 369.446 3.006 20 30 FGEDMM C=CCN(CC1CCCCC1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000078651765 494337121 /nfs/dbraw/zinc/33/71/21/494337121.db2.gz PYDDOTOITGMNQG-UHFFFAOYSA-N -1 1 363.527 3.328 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC)cc2)cc1 ZINC000055664147 494385035 /nfs/dbraw/zinc/38/50/35/494385035.db2.gz ZYLAKSISROQPMX-UHFFFAOYSA-N -1 1 358.463 3.356 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC)cc2)cc1 ZINC000055664065 494385113 /nfs/dbraw/zinc/38/51/13/494385113.db2.gz FAODIUPTZFXMSM-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000026547924 494831867 /nfs/dbraw/zinc/83/18/67/494831867.db2.gz KNLVLPKZOJAGIA-UHFFFAOYSA-N -1 1 358.419 3.075 20 30 FGEDMM C=CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116987766 494880523 /nfs/dbraw/zinc/88/05/23/494880523.db2.gz HZQLSCIGALQAJQ-KDOFPFPSSA-N -1 1 352.434 3.231 20 30 FGEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2F)c1 ZINC000134468154 495153688 /nfs/dbraw/zinc/15/36/88/495153688.db2.gz JDQQJLIHVVQUCW-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Oc2cnccn2)c1 ZINC000114673432 495406537 /nfs/dbraw/zinc/40/65/37/495406537.db2.gz GHGKBNMBVWFOTJ-UHFFFAOYSA-N -1 1 366.402 3.250 20 30 FGEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc21 ZINC000179886311 495771320 /nfs/dbraw/zinc/77/13/20/495771320.db2.gz VQYLVSOIKFWSPL-UHFFFAOYSA-N -1 1 369.446 3.269 20 30 FGEDMM C=CCN(Cc1ccccc1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000160025606 495866309 /nfs/dbraw/zinc/86/63/09/495866309.db2.gz JLSADTDCUIWFRM-UHFFFAOYSA-N -1 1 364.449 3.199 20 30 FGEDMM CSc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000177133743 495941260 /nfs/dbraw/zinc/94/12/60/495941260.db2.gz FOSUHRDABCUURC-UHFFFAOYSA-N -1 1 354.403 3.037 20 30 FGEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2)n[nH]1 ZINC000177500525 496087936 /nfs/dbraw/zinc/08/79/36/496087936.db2.gz LAECPCYHZDNVLG-UHFFFAOYSA-N -1 1 368.418 3.491 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1C(F)(F)F ZINC000177620848 496134699 /nfs/dbraw/zinc/13/46/99/496134699.db2.gz RCFFUOPLBQHDRW-UHFFFAOYSA-N -1 1 366.324 3.254 20 30 FGEDMM CCOc1cc(C(=O)NCCOc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC000186834579 496173468 /nfs/dbraw/zinc/17/34/68/496173468.db2.gz DRKCILBCRLJPSR-UHFFFAOYSA-N -1 1 360.797 3.125 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1C#N ZINC000152651376 496214449 /nfs/dbraw/zinc/21/44/49/496214449.db2.gz KQFHELRJPMWXSN-UHFFFAOYSA-N -1 1 352.362 3.424 20 30 FGEDMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000177990369 496278085 /nfs/dbraw/zinc/27/80/85/496278085.db2.gz YMKBDYVLJHFSKP-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1[O-] ZINC000187934322 496623170 /nfs/dbraw/zinc/62/31/70/496623170.db2.gz RNSNSOPAXPMHLS-UHFFFAOYSA-N -1 1 363.461 3.045 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c(F)c1 ZINC000158162881 496640525 /nfs/dbraw/zinc/64/05/25/496640525.db2.gz SADYSHINGIAVGF-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000188065480 496668582 /nfs/dbraw/zinc/66/85/82/496668582.db2.gz HWDZQTVXRSWGBM-UHFFFAOYSA-N -1 1 362.451 3.292 20 30 FGEDMM Cc1cc(C[C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)n(-c2ccccc2)n1 ZINC000188955378 496959268 /nfs/dbraw/zinc/95/92/68/496959268.db2.gz NQCGPPMZLANHIV-CQSZACIVSA-N -1 1 360.417 3.119 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000190645466 497557961 /nfs/dbraw/zinc/55/79/61/497557961.db2.gz REMBBJKZSHGHEG-LBPRGKRZSA-N -1 1 364.405 3.039 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C(=O)NC(C)C ZINC000279998809 497614856 /nfs/dbraw/zinc/61/48/56/497614856.db2.gz RWAAFPVLELOSEU-UHFFFAOYSA-N -1 1 371.462 3.000 20 30 FGEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000280062864 497636181 /nfs/dbraw/zinc/63/61/81/497636181.db2.gz ZHENCAYIVUUQFB-UHFFFAOYSA-N -1 1 374.462 3.107 20 30 FGEDMM C=C(C)CCc1noc(CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000285015482 497970241 /nfs/dbraw/zinc/97/02/41/497970241.db2.gz FBZPYCKOYSBURC-UHFFFAOYSA-N -1 1 351.410 3.230 20 30 FGEDMM N#Cc1ccc(OC2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000289099815 498016714 /nfs/dbraw/zinc/01/67/14/498016714.db2.gz CBUFQJUEYRTPQC-UHFFFAOYSA-N -1 1 358.344 3.226 20 30 FGEDMM COc1cc(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000331269237 498288874 /nfs/dbraw/zinc/28/88/74/498288874.db2.gz JUJBAPMHNZZPGR-GHMZBOCLSA-N -1 1 354.834 3.148 20 30 FGEDMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc(C#N)nc3)c2O1 ZINC000579189856 506113380 /nfs/dbraw/zinc/11/33/80/506113380.db2.gz KGMJFJHSIVDJAB-UHFFFAOYSA-N -1 1 363.826 3.121 20 30 FGEDMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410335155 499655794 /nfs/dbraw/zinc/65/57/94/499655794.db2.gz LYARQKUKYNFDSL-UHFFFAOYSA-N -1 1 369.368 3.444 20 30 FGEDMM N#Cc1ccccc1N1CCC(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000377632825 499713354 /nfs/dbraw/zinc/71/33/54/499713354.db2.gz VUAKKGZIEUEPRW-UHFFFAOYSA-N -1 1 371.387 3.188 20 30 FGEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000425180386 500038536 /nfs/dbraw/zinc/03/85/36/500038536.db2.gz SGAGLISFVQJAMZ-UFBFGSQYSA-N -1 1 354.230 3.002 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COCCOc2ccccc2)c1 ZINC000416933946 500160817 /nfs/dbraw/zinc/16/08/17/500160817.db2.gz CEFQUIMXVGGPSP-IBGZPJMESA-N -1 1 374.462 3.326 20 30 FGEDMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000576559329 506186340 /nfs/dbraw/zinc/18/63/40/506186340.db2.gz UNNDAGZDSKWCPX-UHFFFAOYSA-N -1 1 357.479 3.491 20 30 FGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C#N ZINC000427244008 500372994 /nfs/dbraw/zinc/37/29/94/500372994.db2.gz TZVIFZBUIAWXTE-UHFFFAOYSA-N -1 1 359.382 3.157 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1F ZINC000427288410 500377914 /nfs/dbraw/zinc/37/79/14/500377914.db2.gz LOWUCDDHDUOCJB-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM C=CCCn1cc(-c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)nn1 ZINC000424352313 500490763 /nfs/dbraw/zinc/49/07/63/500490763.db2.gz DKTVWAUNOHYPCX-UHFFFAOYSA-N -1 1 361.789 3.329 20 30 FGEDMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000447266579 500582609 /nfs/dbraw/zinc/58/26/09/500582609.db2.gz XINDXKJWPXMUAE-UHFFFAOYSA-N -1 1 372.450 3.117 20 30 FGEDMM COc1ccc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)cc1C#N ZINC000447480718 500611682 /nfs/dbraw/zinc/61/16/82/500611682.db2.gz TZZRIZODZOXXAL-UHFFFAOYSA-N -1 1 371.393 3.070 20 30 FGEDMM COc1ccc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)cc1C#N ZINC000447480718 500611685 /nfs/dbraw/zinc/61/16/85/500611685.db2.gz TZZRIZODZOXXAL-UHFFFAOYSA-N -1 1 371.393 3.070 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1[O-] ZINC000443108764 500681287 /nfs/dbraw/zinc/68/12/87/500681287.db2.gz JCHSAGRQOLTQFI-QGZVFWFLSA-N -1 1 374.343 3.079 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)ccc1Cl ZINC000570719468 506215155 /nfs/dbraw/zinc/21/51/55/506215155.db2.gz NZILMOMEMFQWEI-UHFFFAOYSA-N -1 1 370.821 3.469 20 30 FGEDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435506133 500986580 /nfs/dbraw/zinc/98/65/80/500986580.db2.gz SJLLDHIAURXGOL-UHFFFAOYSA-N -1 1 355.828 3.032 20 30 FGEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)no1 ZINC000435718165 501016387 /nfs/dbraw/zinc/01/63/87/501016387.db2.gz BJJNBVRZNYMCCJ-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)ccc1C#N ZINC000435757069 501023551 /nfs/dbraw/zinc/02/35/51/501023551.db2.gz XJPZHGMNLGTVBA-UHFFFAOYSA-N -1 1 356.325 3.408 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451021443 501239516 /nfs/dbraw/zinc/23/95/16/501239516.db2.gz ADQCOFSNDAQGJS-CYBMUJFWSA-N -1 1 360.913 3.478 20 30 FGEDMM COc1cc(-c2noc([C@@]3(C#N)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000453178141 501285764 /nfs/dbraw/zinc/28/57/64/501285764.db2.gz ODDRONOVCHXLAJ-NXSYQRQQSA-N -1 1 350.172 3.014 20 30 FGEDMM CCOc1cc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)cc(Br)c1[O-] ZINC000453028849 501604510 /nfs/dbraw/zinc/60/45/10/501604510.db2.gz VAEDLLDZJYZUQA-VXJOIVPMSA-N -1 1 364.199 3.405 20 30 FGEDMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486522901 502180554 /nfs/dbraw/zinc/18/05/54/502180554.db2.gz VODVTFHNJXEZAM-UHFFFAOYSA-N -1 1 368.798 3.009 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000475815533 502298834 /nfs/dbraw/zinc/29/88/34/502298834.db2.gz YWAFWGWNACNJCE-UHFFFAOYSA-N -1 1 352.362 3.197 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000462101119 502307304 /nfs/dbraw/zinc/30/73/04/502307304.db2.gz JXQZHVMIIQWGCK-UHFFFAOYSA-N -1 1 359.451 3.498 20 30 FGEDMM CCC[N@@H+](CC)Cc1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc1 ZINC000469217584 502339857 /nfs/dbraw/zinc/33/98/57/502339857.db2.gz YNFJXFVNLDHMME-UHFFFAOYSA-N -1 1 353.470 3.242 20 30 FGEDMM C=CCCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000469892650 502586466 /nfs/dbraw/zinc/58/64/66/502586466.db2.gz XCSPMQYYUKDXQZ-UHFFFAOYSA-N -1 1 362.426 3.275 20 30 FGEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000477224055 502711186 /nfs/dbraw/zinc/71/11/86/502711186.db2.gz UBXXUTALLNGKBP-UHFFFAOYSA-N -1 1 362.432 3.222 20 30 FGEDMM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000489654663 503005619 /nfs/dbraw/zinc/00/56/19/503005619.db2.gz KKHURAVJHKDHKM-ZDUSSCGKSA-N -1 1 366.266 3.093 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000507924713 503397148 /nfs/dbraw/zinc/39/71/48/503397148.db2.gz ZIVQVWJAMQHNTQ-UHFFFAOYSA-N -1 1 359.451 3.436 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCOc3c(Br)cccc32)cc1[O-] ZINC000504324619 503556566 /nfs/dbraw/zinc/55/65/66/503556566.db2.gz LZMPLCPGRIBWBX-AWEZNQCLSA-N -1 1 373.206 3.280 20 30 FGEDMM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000517305607 503710162 /nfs/dbraw/zinc/71/01/62/503710162.db2.gz CNOJVQBASQUSMO-AWEZNQCLSA-N -1 1 366.398 3.338 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2-c2ccccc2)o1 ZINC000561485713 505358723 /nfs/dbraw/zinc/35/87/23/505358723.db2.gz OAXNQCUSUVAQLL-UHFFFAOYSA-N -1 1 368.414 3.176 20 30 FGEDMM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000561562511 505378817 /nfs/dbraw/zinc/37/88/17/505378817.db2.gz YEYJGKAAQAZGHL-ABKXIKBNSA-N -1 1 366.801 3.151 20 30 FGEDMM N#Cc1sccc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC000599417701 506448589 /nfs/dbraw/zinc/44/85/89/506448589.db2.gz OUPXCHDQKHPHAK-GFCCVEGCSA-N -1 1 356.419 3.165 20 30 FGEDMM CCOc1cc2c(cc1OCC)CN(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000589159968 506462351 /nfs/dbraw/zinc/46/23/51/506462351.db2.gz AIEUDSQRWUMXQL-UHFFFAOYSA-N -1 1 366.417 3.260 20 30 FGEDMM CC(C)OC(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589162343 506464668 /nfs/dbraw/zinc/46/46/68/506464668.db2.gz RHSOPVFWWMJEOJ-SFHVURJKSA-N -1 1 352.390 3.077 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000589169896 506469005 /nfs/dbraw/zinc/46/90/05/506469005.db2.gz RBPDJORRNNUXFX-QWRGUYRKSA-N -1 1 366.261 3.467 20 30 FGEDMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589195105 506479497 /nfs/dbraw/zinc/47/94/97/506479497.db2.gz LZCAASHGGVGZBY-KRWDZBQOSA-N -1 1 360.417 3.227 20 30 FGEDMM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589195106 506480351 /nfs/dbraw/zinc/48/03/51/506480351.db2.gz LZCAASHGGVGZBY-QGZVFWFLSA-N -1 1 360.417 3.227 20 30 FGEDMM CCCc1c(NC(=O)c2cc([O-])cc(C#N)c2)cnn1-c1cc(C)ccn1 ZINC000589205615 506483512 /nfs/dbraw/zinc/48/35/12/506483512.db2.gz BWENVIKTAWGTSM-UHFFFAOYSA-N -1 1 361.405 3.358 20 30 FGEDMM CCOc1cc(-c2noc(CC3(C#N)CC3)n2)cc(Br)c1[O-] ZINC000590273055 506779950 /nfs/dbraw/zinc/77/99/50/506779950.db2.gz CUTAKUBCWHCWRE-UHFFFAOYSA-N -1 1 364.199 3.450 20 30 FGEDMM CCOC(=O)c1c[n-]c(NC(=O)c2cn(CCCC#N)c3ccccc23)n1 ZINC000590356084 506803837 /nfs/dbraw/zinc/80/38/37/506803837.db2.gz WCYGOSOJCHNUIQ-UHFFFAOYSA-N -1 1 365.393 3.097 20 30 FGEDMM CCOCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCc2ccccc21 ZINC000600447463 506959052 /nfs/dbraw/zinc/95/90/52/506959052.db2.gz PKNFJMGBEOHQOW-LJQANCHMSA-N -1 1 350.418 3.430 20 30 FGEDMM CCOCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000600449886 506959157 /nfs/dbraw/zinc/95/91/57/506959157.db2.gz WBVFJQQFEAMZBW-FQEVSTJZSA-N -1 1 350.418 3.430 20 30 FGEDMM CCO[C@H](CS(=O)(=O)[N-]c1ccccc1SCCC#N)C1CC1 ZINC000600646870 507048570 /nfs/dbraw/zinc/04/85/70/507048570.db2.gz DJTBLLHBGUWLNC-OAHLLOKOSA-N -1 1 354.497 3.249 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000592351090 507613965 /nfs/dbraw/zinc/61/39/65/507613965.db2.gz SPUYXMSSVKNKPZ-SWLSCSKDSA-N -1 1 354.497 3.105 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000737727886 598347122 /nfs/dbraw/zinc/34/71/22/598347122.db2.gz UGNBJNSRJTYYDL-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000737727886 598347123 /nfs/dbraw/zinc/34/71/23/598347123.db2.gz UGNBJNSRJTYYDL-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2Cc3ccc(Cl)cc3C2)o1 ZINC000820108999 599336784 /nfs/dbraw/zinc/33/67/84/599336784.db2.gz YKYULUFNEQECKT-UHFFFAOYSA-N -1 1 371.832 3.273 20 30 FGEDMM C[C@@H](C/N=C/c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000736586544 599762442 /nfs/dbraw/zinc/76/24/42/599762442.db2.gz NJEXPJCIKIJYEE-JHKKWMAKSA-N -1 1 365.021 3.057 20 30 FGEDMM COc1cc(F)c([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737889536 600598483 /nfs/dbraw/zinc/59/84/83/600598483.db2.gz RNTXEKXFUXUHRP-BBATYDOGSA-N -1 1 358.369 3.191 20 30 FGEDMM COc1cc(F)c([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832004476 601305376 /nfs/dbraw/zinc/30/53/76/601305376.db2.gz PFVVGQRKHUDBHV-ADLMAVQZSA-N -1 1 358.369 3.191 20 30 FGEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC(CCC(=O)[O-])CC2)c1C ZINC000832970701 601841375 /nfs/dbraw/zinc/84/13/75/601841375.db2.gz CCANQMHFNZUQEO-UHFFFAOYSA-N -1 1 371.481 3.127 20 30 FGEDMM O=C([O-])[C@@H]1CC12CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000833771672 604881384 /nfs/dbraw/zinc/88/13/84/604881384.db2.gz MGVPHKGTPAXDOI-HNNXBMFYSA-N -1 1 353.340 3.123 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2F)o1 ZINC000824141467 607807500 /nfs/dbraw/zinc/80/75/00/607807500.db2.gz HRDGBQGNWPAABO-UHFFFAOYSA-N -1 1 363.784 3.391 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3[nH]ccc32)o1 ZINC000824141629 607887331 /nfs/dbraw/zinc/88/73/31/607887331.db2.gz LGPKLCGPOOUSGK-UHFFFAOYSA-N -1 1 350.386 3.080 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2C[C@H]2c2ccccc2)o1 ZINC000824141590 607887493 /nfs/dbraw/zinc/88/74/93/607887493.db2.gz KSEUCQQTGSYMBS-OLZOCXBDSA-N -1 1 351.414 3.354 20 30 FGEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000046707254 695845291 /nfs/dbraw/zinc/84/52/91/695845291.db2.gz LMSSWWZAXJUGFX-LLVKDONJSA-N -1 1 353.403 3.255 20 30 FGEDMM N#C[C@H](C(=O)[C@@H]1CC=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707320 695845599 /nfs/dbraw/zinc/84/55/99/695845599.db2.gz ZINYBGFROUJWMI-DGCLKSJQSA-N -1 1 353.447 3.396 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)CCCCOC)nc2C)n[n-]c1=S ZINC000123581894 700706957 /nfs/dbraw/zinc/70/69/57/700706957.db2.gz URKTUAQQRVUBDD-UHFFFAOYSA-N -1 1 367.500 3.314 20 30 FGEDMM C#C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000123998542 700713561 /nfs/dbraw/zinc/71/35/61/700713561.db2.gz OOVAKTNSCMSORQ-LURJTMIESA-N -1 1 357.056 3.056 20 30 FGEDMM CS[C@H](C)CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156224753 705107043 /nfs/dbraw/zinc/10/70/43/705107043.db2.gz XCWGSBUVOVSMNU-MWLCHTKSSA-N -1 1 361.492 3.181 20 30 FGEDMM C#CCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000172778614 705429507 /nfs/dbraw/zinc/42/95/07/705429507.db2.gz QQPFVWNFZIFFQJ-UHFFFAOYSA-N -1 1 359.407 3.221 20 30 FGEDMM Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000178955336 705682711 /nfs/dbraw/zinc/68/27/11/705682711.db2.gz YOIPFIOHXWFQBP-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1OC ZINC000193471946 712892505 /nfs/dbraw/zinc/89/25/05/712892505.db2.gz QGOARXDFHWOVIT-JTQLQIEISA-N -1 1 364.810 3.380 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2Br)c(=O)o1 ZINC000254982033 713678852 /nfs/dbraw/zinc/67/88/52/713678852.db2.gz MJNJZCSJLMNFTO-FWWGQDLDSA-N -1 1 369.598 3.331 20 30 FGEDMM COc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000780200966 724454064 /nfs/dbraw/zinc/45/40/64/724454064.db2.gz FKVZMMQDOFZMCY-UHFFFAOYSA-N -1 1 357.464 3.145 20 30 FGEDMM C=CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)cc1 ZINC000671687045 721608395 /nfs/dbraw/zinc/60/83/95/721608395.db2.gz BOCBIROPMVPGAA-UHFFFAOYSA-N -1 1 369.389 3.017 20 30 FGEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2)o1 ZINC000743259915 722565279 /nfs/dbraw/zinc/56/52/79/722565279.db2.gz PXVIDPHFFYVIGS-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM CC#CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000744557751 722578353 /nfs/dbraw/zinc/57/83/53/722578353.db2.gz OTYARAWAHKLWCT-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM CCCCCCCCc1nnc([N-]C(=O)c2ccc(C(N)=O)o2)s1 ZINC000747390467 722645855 /nfs/dbraw/zinc/64/58/55/722645855.db2.gz MQONHHUNGSVCFS-UHFFFAOYSA-N -1 1 350.444 3.385 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Cl)c(Cl)c1 ZINC000748248726 722681784 /nfs/dbraw/zinc/68/17/84/722681784.db2.gz VYPAYIMUEKMIHP-UHFFFAOYSA-N -1 1 374.205 3.214 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000755027753 722949482 /nfs/dbraw/zinc/94/94/82/722949482.db2.gz UUYUNZPCVHPADU-UHFFFAOYSA-N -1 1 360.391 3.024 20 30 FGEDMM O=C(/C=C/c1cn(-c2ccc(F)cc2Cl)nn1)c1cc(O)ccc1[O-] ZINC000755598021 722954758 /nfs/dbraw/zinc/95/47/58/722954758.db2.gz BCLCPRPSYPRSOG-GORDUTHDSA-N -1 1 359.744 3.367 20 30 FGEDMM O=C(/C=C/c1cc2c(cc1Br)OCO2)c1cc(O)ccc1[O-] ZINC000757468753 722976568 /nfs/dbraw/zinc/97/65/68/722976568.db2.gz WLFLAPKXMQJCBB-HNQUOIGGSA-N -1 1 363.163 3.485 20 30 FGEDMM [O-]c1c(O)cc(C=NNC(=S)Nc2ccccc2)cc1Br ZINC000757561696 722977026 /nfs/dbraw/zinc/97/70/26/722977026.db2.gz YCCDQLNDHQUPOI-UHFFFAOYSA-N -1 1 366.240 3.181 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000758151156 722985081 /nfs/dbraw/zinc/98/50/81/722985081.db2.gz RGVFYPPASZYPAB-UHFFFAOYSA-N -1 1 360.391 3.024 20 30 FGEDMM COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)c(Br)c1O ZINC000761013160 723113068 /nfs/dbraw/zinc/11/30/68/723113068.db2.gz WMFMQHXYWATWCK-AWNIVKPZSA-N -1 1 363.163 3.485 20 30 FGEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1cccc(Br)c1 ZINC000790546586 723151791 /nfs/dbraw/zinc/15/17/91/723151791.db2.gz LIZJYOWLHMTBFA-ZDUSSCGKSA-N -1 1 373.197 3.192 20 30 FGEDMM C#CCOc1ccccc1CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000762603300 723261336 /nfs/dbraw/zinc/26/13/36/723261336.db2.gz AUNMGVAZJRRISA-UHFFFAOYSA-N -1 1 359.809 3.386 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)c1 ZINC000794591941 723533527 /nfs/dbraw/zinc/53/35/27/723533527.db2.gz GHGMDJAYMYFGCG-OAHLLOKOSA-N -1 1 370.352 3.149 20 30 FGEDMM COc1ccc(CNC(=S)NN=C(C)c2ccc([O-])c(Cl)c2)cc1 ZINC000768767596 723666724 /nfs/dbraw/zinc/66/67/24/723666724.db2.gz JSXGEWCAAYZBSC-UHFFFAOYSA-N -1 1 363.870 3.443 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc3ccc(Br)cc3n2)n1 ZINC000771554576 723737410 /nfs/dbraw/zinc/73/74/10/723737410.db2.gz XMABBEDZRSPVAJ-UHFFFAOYSA-N -1 1 358.199 3.247 20 30 FGEDMM CC[C@H]1CC[C@H](C)CC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000797402065 723811980 /nfs/dbraw/zinc/81/19/80/723811980.db2.gz SOYLQNVBKHQVKL-JSGCOSHPSA-N -1 1 353.444 3.216 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000776347329 724134850 /nfs/dbraw/zinc/13/48/50/724134850.db2.gz ZHONDIAIKZYXLC-OAHLLOKOSA-N -1 1 351.189 3.034 20 30 FGEDMM [O-]c1c(Br)cccc1CN=Nc1nc(-c2cccnc2)no1 ZINC000814948209 727013589 /nfs/dbraw/zinc/01/35/89/727013589.db2.gz CZSNRQOWDKJTBC-UHFFFAOYSA-N -1 1 360.171 3.046 20 30 FGEDMM N#C[C@]1([N-]C(=O)C(F)(F)c2ccccc2Br)CCSC1 ZINC000822913447 729231626 /nfs/dbraw/zinc/23/16/26/729231626.db2.gz WXXVBQWEZHKPOA-GFCCVEGCSA-N -1 1 361.211 3.056 20 30 FGEDMM N#CCc1ccsc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000866598319 733372499 /nfs/dbraw/zinc/37/24/99/733372499.db2.gz YPDJOULPMSNROO-UHFFFAOYSA-N -1 1 354.431 3.255 20 30 FGEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C)s2)C1=O ZINC000906485502 744136371 /nfs/dbraw/zinc/13/63/71/744136371.db2.gz ICNWKUHTXGNEMR-KRWDZBQOSA-N -1 1 351.472 3.372 20 30 FGEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1cccc(Br)c1[O-] ZINC000915943543 758008400 /nfs/dbraw/zinc/00/84/00/758008400.db2.gz GSWCXOPGSLFSHR-UHFFFAOYSA-N -1 1 355.261 3.215 20 30 FGEDMM CC(C)(C)C1N=NC(=S)N1N=Cc1ccc([O-])c(Br)c1 ZINC000916308527 758069169 /nfs/dbraw/zinc/06/91/69/758069169.db2.gz KSVFHJJECKAHOA-UHFFFAOYSA-N -1 1 355.261 3.215 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000076937472 493992390 /nfs/dbraw/zinc/99/23/90/493992390.db2.gz IUVDWYDDCJWSNC-UONOGXRCSA-N -1 1 354.497 3.392 20 30 FGEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000011443471 494177414 /nfs/dbraw/zinc/17/74/14/494177414.db2.gz WJQSYQKMUATYLT-AWEZNQCLSA-N -1 1 370.478 3.150 20 30 FGEDMM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043997227 494333883 /nfs/dbraw/zinc/33/38/83/494333883.db2.gz MOUBQJJWQZIYPN-VIFPVBQESA-N -1 1 353.304 3.003 20 30 FGEDMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1(C#N)CCC1 ZINC000067683781 494609032 /nfs/dbraw/zinc/60/90/32/494609032.db2.gz ZIFFMQGAANXAJR-UHFFFAOYSA-N -1 1 369.446 3.006 20 30 FGEDMM N#C[C@@H](C(=O)c1ccsc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362176 494690710 /nfs/dbraw/zinc/69/07/10/494690710.db2.gz NEEAGRGQIUEUGX-NSHDSACASA-N -1 1 355.444 3.415 20 30 FGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000026547740 494831692 /nfs/dbraw/zinc/83/16/92/494831692.db2.gz BYGROJMSNDRNRU-UHFFFAOYSA-N -1 1 358.419 3.060 20 30 FGEDMM C=CC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116987769 494880328 /nfs/dbraw/zinc/88/03/28/494880328.db2.gz HZQLSCIGALQAJQ-RDTXWAMCSA-N -1 1 352.434 3.231 20 30 FGEDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1C#N ZINC000109714109 494911301 /nfs/dbraw/zinc/91/13/01/494911301.db2.gz RUQDZKNCQYMPJH-QMMMGPOBSA-N -1 1 368.340 3.192 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000102351091 495131282 /nfs/dbraw/zinc/13/12/82/495131282.db2.gz NEGGHEZEKRXSDJ-INIZCTEOSA-N -1 1 371.462 3.136 20 30 FGEDMM C=C[C@H](CC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000129585977 495266095 /nfs/dbraw/zinc/26/60/95/495266095.db2.gz VEXCPSCGJZLFED-CQSZACIVSA-N -1 1 374.462 3.365 20 30 FGEDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000124983061 495373669 /nfs/dbraw/zinc/37/36/69/495373669.db2.gz CYCGZINLRPFHQP-UHFFFAOYSA-N -1 1 351.378 3.458 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1 ZINC000114673311 495406891 /nfs/dbraw/zinc/40/68/91/495406891.db2.gz QFCCTLPPJTWVEL-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC(C)(C)C)c1 ZINC000114673597 495407303 /nfs/dbraw/zinc/40/73/03/495407303.db2.gz AKEYVGJNVVATCV-UHFFFAOYSA-N -1 1 371.462 3.196 20 30 FGEDMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000176204933 495546017 /nfs/dbraw/zinc/54/60/17/495546017.db2.gz UMQMVDDUQTZFIL-UHFFFAOYSA-N -1 1 368.798 3.009 20 30 FGEDMM C=CCOCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000173499720 495559651 /nfs/dbraw/zinc/55/96/51/495559651.db2.gz KDPKWPAAWBFICP-UHFFFAOYSA-N -1 1 374.462 3.409 20 30 FGEDMM C=CCCOCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000148504200 495585519 /nfs/dbraw/zinc/58/55/19/495585519.db2.gz QDWUXTJQLBCZBF-UHFFFAOYSA-N -1 1 374.462 3.327 20 30 FGEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000174652400 496047698 /nfs/dbraw/zinc/04/76/98/496047698.db2.gz AFAROZDGGRFAQS-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM COc1cc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC000187022588 496255663 /nfs/dbraw/zinc/25/56/63/496255663.db2.gz PWYIAXIBTXWVKR-UHFFFAOYSA-N -1 1 358.753 3.299 20 30 FGEDMM C=CCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000175520640 496424497 /nfs/dbraw/zinc/42/44/97/496424497.db2.gz CBGYMTKKOFUOBQ-UHFFFAOYSA-N -1 1 358.463 3.460 20 30 FGEDMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000188250135 496723126 /nfs/dbraw/zinc/72/31/26/496723126.db2.gz CZVBGBAKQZVZRE-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)cc1[O-] ZINC000188528613 496821191 /nfs/dbraw/zinc/82/11/91/496821191.db2.gz JYAYMVXMUACBFE-OAHLLOKOSA-N -1 1 355.825 3.316 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000189124073 497015240 /nfs/dbraw/zinc/01/52/40/497015240.db2.gz SOGPVZXCQNSPQZ-RDJZCZTQSA-N -1 1 360.772 3.316 20 30 FGEDMM CN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190150168 497376899 /nfs/dbraw/zinc/37/68/99/497376899.db2.gz DJJYLHNJJJZBQC-UHFFFAOYSA-N -1 1 363.186 3.438 20 30 FGEDMM N#CC(=C([O-])c1ccc(OCC(F)(F)F)nc1)c1cnc2ccccc2n1 ZINC000191000156 497678683 /nfs/dbraw/zinc/67/86/83/497678683.db2.gz TXDIZXFHZYIRKJ-GFCCVEGCSA-N -1 1 372.306 3.456 20 30 FGEDMM C=CCCCCCCNC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000286964924 498570851 /nfs/dbraw/zinc/57/08/51/498570851.db2.gz IPCZZHGEKTUQIZ-UHFFFAOYSA-N -1 1 354.454 3.348 20 30 FGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(C(F)(F)F)cc1 ZINC000572867316 506071678 /nfs/dbraw/zinc/07/16/78/506071678.db2.gz MEQRSZMOYNFTEO-UHFFFAOYSA-N -1 1 372.368 3.426 20 30 FGEDMM C=C(CNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000366135810 498792847 /nfs/dbraw/zinc/79/28/47/498792847.db2.gz REUJRILQUPFHMS-UHFFFAOYSA-N -1 1 374.444 3.315 20 30 FGEDMM N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1Cl ZINC000323887953 498823306 /nfs/dbraw/zinc/82/33/06/498823306.db2.gz FFEMMAKDGBVKRP-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000333095298 498898730 /nfs/dbraw/zinc/89/87/30/498898730.db2.gz UGVUTNWZCZXRJI-IEBWSBKVSA-N -1 1 372.465 3.374 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)[C@H]1C[C@@H]1C ZINC000295193601 498939684 /nfs/dbraw/zinc/93/96/84/498939684.db2.gz LPQTWDMITCYVKV-DJJJIMSYSA-N -1 1 369.446 3.120 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1Br ZINC000380306640 499543591 /nfs/dbraw/zinc/54/35/91/499543591.db2.gz HEWDRRRWUJWMRF-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM N#Cc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1F ZINC000376061265 499579910 /nfs/dbraw/zinc/57/99/10/499579910.db2.gz GHGFFVPBMUQPED-UHFFFAOYSA-N -1 1 352.365 3.138 20 30 FGEDMM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000408395699 499586761 /nfs/dbraw/zinc/58/67/61/499586761.db2.gz WAFKBMMQHYLPHX-BQBZGAKWSA-N -1 1 369.693 3.135 20 30 FGEDMM CC(C)Oc1c(NS(=O)(=O)c2ccccc2CC#N)cccc1C(=O)[O-] ZINC000410395969 499660025 /nfs/dbraw/zinc/66/00/25/499660025.db2.gz FNCMVENGIPPVHY-UHFFFAOYSA-N -1 1 374.418 3.039 20 30 FGEDMM N#C[C@H](C(=O)c1cncs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429682283 500122922 /nfs/dbraw/zinc/12/29/22/500122922.db2.gz YIPCBJJFXCAEPP-SECBINFHSA-N -1 1 356.432 3.222 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)cc1[O-] ZINC000442734524 500616723 /nfs/dbraw/zinc/61/67/23/500616723.db2.gz UCQRRQNXRCDWEG-UHFFFAOYSA-N -1 1 359.385 3.168 20 30 FGEDMM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000437353783 500634775 /nfs/dbraw/zinc/63/47/75/500634775.db2.gz JQJKPYJIIAMVSP-CYBMUJFWSA-N -1 1 360.377 3.058 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443402206 500718721 /nfs/dbraw/zinc/71/87/21/500718721.db2.gz XCSJQSOOAYRTNE-UHFFFAOYSA-N -1 1 365.336 3.444 20 30 FGEDMM C=CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000448508089 500765916 /nfs/dbraw/zinc/76/59/16/500765916.db2.gz OOOHNPLYTNRYMB-SFHVURJKSA-N -1 1 352.434 3.232 20 30 FGEDMM CC#CCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444194403 500816292 /nfs/dbraw/zinc/81/62/92/500816292.db2.gz SNMPZOVMQKXFAZ-UHFFFAOYSA-N -1 1 371.083 3.448 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000435448660 500980101 /nfs/dbraw/zinc/98/01/01/500980101.db2.gz YXGOFNAFMLJHMZ-GFCCVEGCSA-N -1 1 360.382 3.244 20 30 FGEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000435600115 500999460 /nfs/dbraw/zinc/99/94/60/500999460.db2.gz YLXOQAWMDIEXGG-KWQFWETISA-N -1 1 356.296 3.314 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)ccc1C#N ZINC000435750273 501022525 /nfs/dbraw/zinc/02/25/25/501022525.db2.gz BNIOUEAHMFUVLP-UHFFFAOYSA-N -1 1 371.462 3.196 20 30 FGEDMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000436510832 501143856 /nfs/dbraw/zinc/14/38/56/501143856.db2.gz VBEPTGLVGATQKX-GOSISDBHSA-N -1 1 368.389 3.093 20 30 FGEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Cl)cc3[O-])C2)c(F)c1 ZINC000436789750 501212000 /nfs/dbraw/zinc/21/20/00/501212000.db2.gz CWJYRXHBLGQNDE-AWEZNQCLSA-N -1 1 373.815 3.455 20 30 FGEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)nc1 ZINC000436867840 501224575 /nfs/dbraw/zinc/22/45/75/501224575.db2.gz FCAGHRZFVJDJRV-QGZVFWFLSA-N -1 1 359.385 3.106 20 30 FGEDMM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000477839068 501804182 /nfs/dbraw/zinc/80/41/82/501804182.db2.gz XTABLBJAIXRWJC-LLVKDONJSA-N -1 1 361.327 3.131 20 30 FGEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000464419294 501984628 /nfs/dbraw/zinc/98/46/28/501984628.db2.gz VPHVGOMOWUDUAQ-ZDUSSCGKSA-N -1 1 363.252 3.195 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000465138938 502199586 /nfs/dbraw/zinc/19/95/86/502199586.db2.gz HWKMSMCOSOIBGH-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000468836236 502200464 /nfs/dbraw/zinc/20/04/64/502200464.db2.gz FLGINRUHQQYYAP-UHFFFAOYSA-N -1 1 359.451 3.416 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475789872 502292304 /nfs/dbraw/zinc/29/23/04/502292304.db2.gz NUSYKWLYSIGUSW-UHFFFAOYSA-N -1 1 373.331 3.472 20 30 FGEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000475814126 502298511 /nfs/dbraw/zinc/29/85/11/502298511.db2.gz VZTPEKBKEASYBJ-UHFFFAOYSA-N -1 1 372.450 3.003 20 30 FGEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C)c3ncccc23)cc1C#N ZINC000476622358 502542826 /nfs/dbraw/zinc/54/28/26/502542826.db2.gz DKAWUIMGWZDUDF-UHFFFAOYSA-N -1 1 350.403 3.490 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)[nH][n-]2)s1 ZINC000473401806 502585555 /nfs/dbraw/zinc/58/55/55/502585555.db2.gz PFDDWGPUJDPMSO-HNNXBMFYSA-N -1 1 361.430 3.061 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)cc1[O-] ZINC000527195887 503714649 /nfs/dbraw/zinc/71/46/49/503714649.db2.gz QHXLCPBBMFHTKY-GJZGRUSLSA-N -1 1 357.207 3.312 20 30 FGEDMM N#Cc1ccccc1OC=C([O-])Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000521551110 504755619 /nfs/dbraw/zinc/75/56/19/504755619.db2.gz DTYYZVOJADULCL-UHFFFAOYSA-N -1 1 370.821 3.170 20 30 FGEDMM O=c1[n-]nc([C@@H]2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000559762355 504923978 /nfs/dbraw/zinc/92/39/78/504923978.db2.gz KKXPNIPETCNLCW-CYBMUJFWSA-N -1 1 351.328 3.025 20 30 FGEDMM C[C@@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561479692 505357776 /nfs/dbraw/zinc/35/77/76/505357776.db2.gz PKUWFJCQVSJNAJ-ZDUSSCGKSA-N -1 1 362.451 3.195 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccccc2OCC(F)(F)F)c1 ZINC000589169381 506469861 /nfs/dbraw/zinc/46/98/61/506469861.db2.gz QICNLMQXFPNNDN-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM COCCSc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589177507 506471221 /nfs/dbraw/zinc/47/12/21/506471221.db2.gz AOOOIQGLQCJIOJ-ZDUSSCGKSA-N -1 1 356.447 3.493 20 30 FGEDMM COc1ccc([C@H](NC(=O)c2cc([O-])cc(C#N)c2)C(F)(F)F)cc1 ZINC000589199301 506481392 /nfs/dbraw/zinc/48/13/92/506481392.db2.gz AUJFWUSYWTWGGJ-HNNXBMFYSA-N -1 1 350.296 3.306 20 30 FGEDMM CC1(C)[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1OCc1ccccc1 ZINC000589205329 506483881 /nfs/dbraw/zinc/48/38/81/506483881.db2.gz SVCCASULXWPMLV-MOPGFXCFSA-N -1 1 350.418 3.378 20 30 FGEDMM C=CCN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000590409560 506813479 /nfs/dbraw/zinc/81/34/79/506813479.db2.gz KTAYFWGKAFLMJB-UHFFFAOYSA-N -1 1 369.446 3.029 20 30 FGEDMM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000590457543 506829571 /nfs/dbraw/zinc/82/95/71/506829571.db2.gz UDGRBSJXXVROCO-GFCCVEGCSA-N -1 1 373.815 3.407 20 30 FGEDMM Cc1sc([N-]C(=O)c2nnn(C3CC3)c2C(F)(F)F)c(C#N)c1C ZINC000610411838 507231604 /nfs/dbraw/zinc/23/16/04/507231604.db2.gz ZSFCUUJJWDMNAC-UHFFFAOYSA-N -1 1 355.345 3.434 20 30 FGEDMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000594705801 507245247 /nfs/dbraw/zinc/24/52/47/507245247.db2.gz MXHUZHWGAKXFPL-UHFFFAOYSA-N -1 1 372.446 3.118 20 30 FGEDMM N#CC1(c2ccccn2)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000601561409 507389366 /nfs/dbraw/zinc/38/93/66/507389366.db2.gz NPSRQLGQRWEECH-UHFFFAOYSA-N -1 1 355.825 3.067 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000614298132 507446827 /nfs/dbraw/zinc/44/68/27/507446827.db2.gz DUBYAKSWDUCKFE-UHFFFAOYSA-N -1 1 351.337 3.030 20 30 FGEDMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H]1CCC[C@H]1C#N ZINC000601818561 507471898 /nfs/dbraw/zinc/47/18/98/507471898.db2.gz OHMSYIYTQPKZGK-GXFFZTMASA-N -1 1 374.238 3.467 20 30 FGEDMM C[C@@H]1CN(c2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)C[C@@H](C)O1 ZINC000614364060 507479000 /nfs/dbraw/zinc/47/90/00/507479000.db2.gz TVFJEVMNBUJDBN-ZIAGYGMSSA-N -1 1 351.406 3.130 20 30 FGEDMM CCOc1cc2c(cc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000737195171 600591033 /nfs/dbraw/zinc/59/10/33/600591033.db2.gz RHOADBPLKKYFLP-ZUOKHONESA-N -1 1 366.417 3.196 20 30 FGEDMM CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736886571 600594627 /nfs/dbraw/zinc/59/46/27/600594627.db2.gz KBWHIJYZMWMKAN-AUUYWEPGSA-N -1 1 365.433 3.002 20 30 FGEDMM CC(C)(C#N)CCCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000826070959 601113480 /nfs/dbraw/zinc/11/34/80/601113480.db2.gz GZYLTHSKKBWXMP-KRWDZBQOSA-N -1 1 363.889 3.413 20 30 FGEDMM N#CCOc1ccc(Cl)cc1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826382295 607534955 /nfs/dbraw/zinc/53/49/55/607534955.db2.gz XIXFBZYJKFYCPL-UHFFFAOYSA-N -1 1 372.841 3.251 20 30 FGEDMM N#CCOc1ccc(Cl)cc1CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826382295 607534957 /nfs/dbraw/zinc/53/49/57/607534957.db2.gz XIXFBZYJKFYCPL-UHFFFAOYSA-N -1 1 372.841 3.251 20 30 FGEDMM C[C@H](Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC000794860022 602067024 /nfs/dbraw/zinc/06/70/24/602067024.db2.gz LZDUKLAYRVXEGR-JTQLQIEISA-N -1 1 353.300 3.398 20 30 FGEDMM N#Cc1ccc(-c2ccccc2)nc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826384354 607547969 /nfs/dbraw/zinc/54/79/69/607547969.db2.gz RSSZPYZMBZMRHL-UHFFFAOYSA-N -1 1 371.429 3.488 20 30 FGEDMM N#Cc1ccc(-c2ccccc2)nc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826384354 607547970 /nfs/dbraw/zinc/54/79/70/607547970.db2.gz RSSZPYZMBZMRHL-UHFFFAOYSA-N -1 1 371.429 3.488 20 30 FGEDMM N#CC(C(=O)CC1(NC(=O)[O-])CCC1)c1nc2ccccc2n1C(F)F ZINC000831066028 604253739 /nfs/dbraw/zinc/25/37/39/604253739.db2.gz UNUGVVPMHKLKRK-SNVBAGLBSA-N -1 1 362.336 3.188 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2c3ccccc3C[C@H]2C)o1 ZINC000820108984 606201954 /nfs/dbraw/zinc/20/19/54/606201954.db2.gz XSQQHQYRSWNSKJ-LLVKDONJSA-N -1 1 351.414 3.062 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819729604 606813759 /nfs/dbraw/zinc/81/37/59/606813759.db2.gz JGXHMDAMSYOPHO-NSHDSACASA-N -1 1 353.357 3.102 20 30 FGEDMM C=C[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819729604 606813760 /nfs/dbraw/zinc/81/37/60/606813760.db2.gz JGXHMDAMSYOPHO-NSHDSACASA-N -1 1 353.357 3.102 20 30 FGEDMM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822837909 607023988 /nfs/dbraw/zinc/02/39/88/607023988.db2.gz YCTHVEMBTWQXKB-UHFFFAOYSA-N -1 1 373.401 3.114 20 30 FGEDMM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822837909 607023990 /nfs/dbraw/zinc/02/39/90/607023990.db2.gz YCTHVEMBTWQXKB-UHFFFAOYSA-N -1 1 373.401 3.114 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCc3ccccc32)o1 ZINC000824141660 607887322 /nfs/dbraw/zinc/88/73/22/607887322.db2.gz LVHCLPYMYIVKNL-GFCCVEGCSA-N -1 1 351.414 3.280 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ncc(Br)s1 ZINC000826399955 607930572 /nfs/dbraw/zinc/93/05/72/607930572.db2.gz LDENYVKPVLFJPJ-IWQZZHSRSA-N -1 1 368.241 3.043 20 30 FGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1O ZINC000823936988 608091339 /nfs/dbraw/zinc/09/13/39/608091339.db2.gz CRPYEBNMBQLKQQ-AATRIKPKSA-N -1 1 368.418 3.267 20 30 FGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1O ZINC000823936988 608091340 /nfs/dbraw/zinc/09/13/40/608091340.db2.gz CRPYEBNMBQLKQQ-AATRIKPKSA-N -1 1 368.418 3.267 20 30 FGEDMM CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823954113 608094827 /nfs/dbraw/zinc/09/48/27/608094827.db2.gz ZZKVRBMBZYFDOI-UHFFFAOYSA-N -1 1 366.372 3.461 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826380243 608188237 /nfs/dbraw/zinc/18/82/37/608188237.db2.gz SCGURIALBMDMJI-RYUDHWBXSA-N -1 1 371.857 3.253 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826380243 608188238 /nfs/dbraw/zinc/18/82/38/608188238.db2.gz SCGURIALBMDMJI-RYUDHWBXSA-N -1 1 371.857 3.253 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)Cc2cccc(C#N)c2)c(-c2nnn[n-]2)s1 ZINC000824129988 608348845 /nfs/dbraw/zinc/34/88/45/608348845.db2.gz GHTUSIJISPTRMN-UHFFFAOYSA-N -1 1 366.450 3.279 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)Cc2cccc(C#N)c2)c(-c2nn[n-]n2)s1 ZINC000824129988 608348847 /nfs/dbraw/zinc/34/88/47/608348847.db2.gz GHTUSIJISPTRMN-UHFFFAOYSA-N -1 1 366.450 3.279 20 30 FGEDMM C=C(C)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823872726 609450221 /nfs/dbraw/zinc/45/02/21/609450221.db2.gz CWMLECASNGGHIO-UHFFFAOYSA-N -1 1 368.466 3.313 20 30 FGEDMM C=CCn1c(Cc2csc(NC(=O)c3ccoc3C)n2)n[n-]c1=S ZINC000023041886 695658937 /nfs/dbraw/zinc/65/89/37/695658937.db2.gz ZRTYRAFYZFICMR-UHFFFAOYSA-N -1 1 361.452 3.328 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H](C)C#N)cc2)c1C ZINC000023417291 695662076 /nfs/dbraw/zinc/66/20/76/695662076.db2.gz BOLCIDRVFJTVPD-CYBMUJFWSA-N -1 1 358.419 3.173 20 30 FGEDMM N#C[C@H](C(=O)Cc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706928 695845383 /nfs/dbraw/zinc/84/53/83/695845383.db2.gz CKVPMHIVOQAWMM-GFCCVEGCSA-N -1 1 369.471 3.344 20 30 FGEDMM N#C[C@H](C(=O)C[C@@H]1C=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362207 695858049 /nfs/dbraw/zinc/85/80/49/695858049.db2.gz UVWYPMGXIFMRTD-DGCLKSJQSA-N -1 1 353.447 3.396 20 30 FGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(CS(C)(=O)=O)c2)n1 ZINC000080459182 700318191 /nfs/dbraw/zinc/31/81/91/700318191.db2.gz JRYJKPWWJBEYRF-CQSZACIVSA-N -1 1 362.476 3.301 20 30 FGEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000130396316 700801283 /nfs/dbraw/zinc/80/12/83/700801283.db2.gz ZAHIGPBIZODRFN-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM CC[C@@H](SC)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000156278037 705109357 /nfs/dbraw/zinc/10/93/57/705109357.db2.gz PHTVUVUYJBFMMF-WDEREUQCSA-N -1 1 361.492 3.181 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)c3cc(C#N)c[nH]3)nc2C)n[n-]c1=S ZINC000175210628 705537326 /nfs/dbraw/zinc/53/73/26/705537326.db2.gz WWTWETQFSGKMKL-UHFFFAOYSA-N -1 1 371.451 3.011 20 30 FGEDMM Cc1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000194678418 713530539 /nfs/dbraw/zinc/53/05/39/713530539.db2.gz STSQTJFSNWBPID-SNVBAGLBSA-N -1 1 370.459 3.118 20 30 FGEDMM CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1F ZINC000255437587 713696142 /nfs/dbraw/zinc/69/61/42/713696142.db2.gz UIQOVKMSVHWWTE-DJWKRKHSSA-N -1 1 354.786 3.484 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2Cl)c(=O)o1 ZINC000255912417 713710372 /nfs/dbraw/zinc/71/03/72/713710372.db2.gz FMEVYXDFHSZOLA-PKXJPQMGSA-N -1 1 369.598 3.331 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000522743234 714203953 /nfs/dbraw/zinc/20/39/53/714203953.db2.gz JVHMCSBJZXDEKT-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000619462238 714838764 /nfs/dbraw/zinc/83/87/64/714838764.db2.gz SWVUPKDVSOJACG-UHFFFAOYSA-N -1 1 356.432 3.072 20 30 FGEDMM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000643778403 718052740 /nfs/dbraw/zinc/05/27/40/718052740.db2.gz NKALQKRPDBEZGX-JTQLQIEISA-N -1 1 362.233 3.349 20 30 FGEDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2C1 ZINC000783858509 724796952 /nfs/dbraw/zinc/79/69/52/724796952.db2.gz AMIDXLDJCNZJGE-OAHLLOKOSA-N -1 1 362.838 3.126 20 30 FGEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360213 722467690 /nfs/dbraw/zinc/46/76/90/722467690.db2.gz SEJBWZQKNFCSKK-ABKXIKBNSA-N -1 1 373.236 3.299 20 30 FGEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731545593 722476347 /nfs/dbraw/zinc/47/63/47/722476347.db2.gz DIGVBSVLAQNTHI-LBPRGKRZSA-N -1 1 361.716 3.348 20 30 FGEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NO)c1 ZINC000742825066 722560412 /nfs/dbraw/zinc/56/04/12/722560412.db2.gz YMVFHRVHABQAIH-UHFFFAOYSA-N -1 1 362.451 3.212 20 30 FGEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc[nH]1 ZINC000748081916 722674872 /nfs/dbraw/zinc/67/48/72/722674872.db2.gz SPIQDFQPRXVYHG-UHFFFAOYSA-N -1 1 361.452 3.108 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Cl)cc1Cl ZINC000748252864 722681767 /nfs/dbraw/zinc/68/17/67/722681767.db2.gz ISEQTQGXWYTTJY-UHFFFAOYSA-N -1 1 374.205 3.214 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)C1CCCCC1 ZINC000748248724 722681801 /nfs/dbraw/zinc/68/18/01/722681801.db2.gz VWZURIGMSQQUCD-LBPRGKRZSA-N -1 1 353.444 3.465 20 30 FGEDMM C/C(C=NN=C1[N-]S(=O)(=O)c2ccccc21)=C/c1ccc(Cl)cc1 ZINC000753695738 722909773 /nfs/dbraw/zinc/90/97/73/722909773.db2.gz BFCAWFBFTORDRY-FXYDHVJNSA-N -1 1 359.838 3.468 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000753695507 722909807 /nfs/dbraw/zinc/90/98/07/722909807.db2.gz ABMTYKJPCGSJII-UHFFFAOYSA-N -1 1 354.218 3.066 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1ncc(Br)s1 ZINC000756901710 722971530 /nfs/dbraw/zinc/97/15/30/722971530.db2.gz XPMFHPXXTBNGFL-UHFFFAOYSA-N -1 1 370.228 3.449 20 30 FGEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1cc(Cl)cs1 ZINC000759435654 723004503 /nfs/dbraw/zinc/00/45/03/723004503.db2.gz HVBRHNHRKATCJS-LLVKDONJSA-N -1 1 362.794 3.134 20 30 FGEDMM C#CCCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000765386521 723509764 /nfs/dbraw/zinc/50/97/64/723509764.db2.gz MNOPCUMWEFTPDM-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H](C)C#N)cc1 ZINC000770937300 723723980 /nfs/dbraw/zinc/72/39/80/723723980.db2.gz NMBQAAOPZHHFAN-CYBMUJFWSA-N -1 1 358.419 3.112 20 30 FGEDMM COc1ccc(C(=O)[N-]C(=O)CSc2cccc(Cl)c2C#N)cc1 ZINC000771457582 723735468 /nfs/dbraw/zinc/73/54/68/723735468.db2.gz NQGZHLIWOAXCKZ-UHFFFAOYSA-N -1 1 360.822 3.269 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000773058534 723775570 /nfs/dbraw/zinc/77/55/70/723775570.db2.gz RQYCJVMFQQEDIC-VXGBXAGGSA-N -1 1 368.669 3.106 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OCC2CC2)c(=O)o1 ZINC000797404625 723812554 /nfs/dbraw/zinc/81/25/54/723812554.db2.gz HIJYRGDDMHUKAW-MJICGBHWSA-N -1 1 360.793 3.357 20 30 FGEDMM N#C[C@@H](CCc1ccccc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000774096371 723858759 /nfs/dbraw/zinc/85/87/59/723858759.db2.gz NDKMBRDPSGQTHZ-GFCCVEGCSA-N -1 1 360.211 3.261 20 30 FGEDMM COC(=O)c1ccccc1NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000776187098 724116978 /nfs/dbraw/zinc/11/69/78/724116978.db2.gz HWCJSDITBIUUGI-UHFFFAOYSA-N -1 1 365.183 3.093 20 30 FGEDMM C#CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000785456191 724913798 /nfs/dbraw/zinc/91/37/98/724913798.db2.gz XIUKKKPJCCXMLE-UHFFFAOYSA-N -1 1 361.394 3.115 20 30 FGEDMM CC(C)(C)CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000787152875 725018120 /nfs/dbraw/zinc/01/81/20/725018120.db2.gz FDTPXDUKGCIAPQ-UHFFFAOYSA-N -1 1 353.444 3.216 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000787153008 725018304 /nfs/dbraw/zinc/01/83/04/725018304.db2.gz HXCGUMZXSDMRLY-UHFFFAOYSA-N -1 1 373.843 3.153 20 30 FGEDMM C=CCCCCCCNC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000806312127 725123416 /nfs/dbraw/zinc/12/34/16/725123416.db2.gz RCWMZURMUHFGRZ-UHFFFAOYSA-N -1 1 369.487 3.325 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(F)cc1 ZINC000812526076 725399231 /nfs/dbraw/zinc/39/92/31/725399231.db2.gz BQEFOYLLINNKPA-CYBMUJFWSA-N -1 1 359.756 3.410 20 30 FGEDMM [O-]c1cc(F)c(Cl)cc1C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000814860897 727006706 /nfs/dbraw/zinc/00/67/06/727006706.db2.gz HLPZLLYYDDUHGL-GFCCVEGCSA-N -1 1 356.810 3.189 20 30 FGEDMM CCCCCCCCC[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000814985485 727017319 /nfs/dbraw/zinc/01/73/19/727017319.db2.gz IPESREUYZOXYKA-UHFFFAOYSA-N -1 1 355.426 3.468 20 30 FGEDMM CCOc1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc(Cl)c1[O-] ZINC000829524036 729487686 /nfs/dbraw/zinc/48/76/86/729487686.db2.gz XUCKOTQEELCVAP-HNNXBMFYSA-N -1 1 356.809 3.213 20 30 FGEDMM C#CCCCS(=O)(=O)[N-]c1cc(OC)ccc1NC(=O)OC(C)(C)C ZINC000840949423 730195967 /nfs/dbraw/zinc/19/59/67/730195967.db2.gz XETDXOYOVOBWQM-UHFFFAOYSA-N -1 1 368.455 3.197 20 30 FGEDMM CCO[C@@H](CC)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000842281381 730480156 /nfs/dbraw/zinc/48/01/56/730480156.db2.gz IZKPJHIHPZDMFI-RYUDHWBXSA-N -1 1 359.451 3.267 20 30 FGEDMM C[C@@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000842294858 730481472 /nfs/dbraw/zinc/48/14/72/730481472.db2.gz NRYJOWKTTULQON-DGCLKSJQSA-N -1 1 357.435 3.359 20 30 FGEDMM N#CC(=C([O-])c1ccc(N2CCNC2=O)cc1)c1nc(C2CC2)cs1 ZINC000842936972 730559809 /nfs/dbraw/zinc/55/98/09/730559809.db2.gz AZPFAONFESMZET-CQSZACIVSA-N -1 1 352.419 3.040 20 30 FGEDMM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc(C2CC2)cs1 ZINC000842940186 730560201 /nfs/dbraw/zinc/56/02/01/730560201.db2.gz YOSZDHSACBUJFZ-CQSZACIVSA-N -1 1 353.403 3.467 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000846360099 730950345 /nfs/dbraw/zinc/95/03/45/730950345.db2.gz WXIKTHHNZVYUOB-IBGZPJMESA-N -1 1 356.809 3.041 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000853280491 731690903 /nfs/dbraw/zinc/69/09/03/731690903.db2.gz KSGWHNODMXUAOZ-UPJWGTAASA-N -1 1 360.439 3.293 20 30 FGEDMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1nnn(C2CC2)c1C(F)(F)F ZINC000871268052 733927588 /nfs/dbraw/zinc/92/75/88/733927588.db2.gz FUAFATKTRZFDSX-UHFFFAOYSA-N -1 1 368.212 3.441 20 30 FGEDMM C=CC[C@H]1CCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000890555850 739809100 /nfs/dbraw/zinc/80/91/00/739809100.db2.gz DSAUEYYFANGXEW-NSHDSACASA-N -1 1 358.316 3.294 20 30 FGEDMM Cn1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c(C2CCCC2)n1 ZINC000903647931 743867637 /nfs/dbraw/zinc/86/76/37/743867637.db2.gz RAXUTYDPNMDZNX-UHFFFAOYSA-N -1 1 366.393 3.028 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)cc1Cl ZINC000914600015 757809243 /nfs/dbraw/zinc/80/92/43/757809243.db2.gz PZFWGIPUAQHWHS-UHFFFAOYSA-N -1 1 368.245 3.456 20 30 FGEDMM CCc1oc2ccccc2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914600862 757809732 /nfs/dbraw/zinc/80/97/32/757809732.db2.gz ZJASGKXUJGDPAA-UHFFFAOYSA-N -1 1 353.403 3.068 20 30 FGEDMM N#Cc1ccsc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000931845337 760982250 /nfs/dbraw/zinc/98/22/50/760982250.db2.gz JFDLBEKLYISASH-UHFFFAOYSA-N -1 1 355.419 3.452 20 30 FGEDMM CCn1c2ccccc2[nH]c1=NC(=O)c1cc(C#N)c(SC)nc1[O-] ZINC000031896393 539922539 /nfs/dbraw/zinc/92/25/39/539922539.db2.gz LCKKHGNCISUVFC-UHFFFAOYSA-N -1 1 353.407 3.003 20 30 FGEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)no1 ZINC000063849655 494093548 /nfs/dbraw/zinc/09/35/48/494093548.db2.gz DDPDUVLNRFCCLR-UHFFFAOYSA-N -1 1 374.809 3.371 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2CC)c1 ZINC000055548127 494358963 /nfs/dbraw/zinc/35/89/63/494358963.db2.gz RJXQDGVQVTUHHD-UHFFFAOYSA-N -1 1 358.463 3.274 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000055580931 494365762 /nfs/dbraw/zinc/36/57/62/494365762.db2.gz NIWOGACQVYNDKX-UHFFFAOYSA-N -1 1 363.414 3.242 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000055664179 494385731 /nfs/dbraw/zinc/38/57/31/494385731.db2.gz HNVGIEHWZJGKTL-UHFFFAOYSA-N -1 1 350.827 3.057 20 30 FGEDMM CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000115679991 494592827 /nfs/dbraw/zinc/59/28/27/494592827.db2.gz PTJHFMQHULQSFU-UHFFFAOYSA-N -1 1 371.462 3.172 20 30 FGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000057123555 494647553 /nfs/dbraw/zinc/64/75/53/494647553.db2.gz CJGOFOIYFULGED-UHFFFAOYSA-N -1 1 374.437 3.441 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000057124033 494648722 /nfs/dbraw/zinc/64/87/22/494648722.db2.gz SBCABWABVAOZEB-UHFFFAOYSA-N -1 1 372.446 3.327 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000121973234 494901851 /nfs/dbraw/zinc/90/18/51/494901851.db2.gz GSFNVPIIXWVAEW-CQSZACIVSA-N -1 1 366.446 3.464 20 30 FGEDMM CCCNc1ccc(C#N)cc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122765052 495027371 /nfs/dbraw/zinc/02/73/71/495027371.db2.gz ZQWRVYXRKKGFMA-UHFFFAOYSA-N -1 1 352.394 3.296 20 30 FGEDMM CCN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000133563929 495029492 /nfs/dbraw/zinc/02/94/92/495029492.db2.gz NCPFNBXTYYYXMF-UHFFFAOYSA-N -1 1 373.359 3.298 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000102351098 495131220 /nfs/dbraw/zinc/13/12/20/495131220.db2.gz HBEKRIDVYANRBR-MRXNPFEDSA-N -1 1 371.462 3.136 20 30 FGEDMM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000123678334 495170127 /nfs/dbraw/zinc/17/01/27/495170127.db2.gz XAZPSYBVAWYYIB-UHFFFAOYSA-N -1 1 373.503 3.221 20 30 FGEDMM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2[nH]1 ZINC000119520732 495182124 /nfs/dbraw/zinc/18/21/24/495182124.db2.gz MMYLJKGKVHRYFO-AWEZNQCLSA-N -1 1 372.344 3.147 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000123768556 495183480 /nfs/dbraw/zinc/18/34/80/495183480.db2.gz CCCSOKFTSHIKNX-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM N#CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000124627409 495318673 /nfs/dbraw/zinc/31/86/73/495318673.db2.gz KVEGPRYNUODRBP-OAHLLOKOSA-N -1 1 354.353 3.427 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCc3noc(C)n3)c2)n1 ZINC000136091621 495356119 /nfs/dbraw/zinc/35/61/19/495356119.db2.gz IYVNNNOBOUKZKF-AWEZNQCLSA-N -1 1 354.391 3.212 20 30 FGEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673727 495407797 /nfs/dbraw/zinc/40/77/97/495407797.db2.gz XWKOKLUPIYNUBZ-AWEZNQCLSA-N -1 1 371.462 3.196 20 30 FGEDMM C=C(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000154250284 495558092 /nfs/dbraw/zinc/55/80/92/495558092.db2.gz CAPYFPUVYUXAMS-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000171004151 495684481 /nfs/dbraw/zinc/68/44/81/495684481.db2.gz ICRYBIUNSMTFTD-INIZCTEOSA-N -1 1 371.462 3.136 20 30 FGEDMM C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000183061578 495817945 /nfs/dbraw/zinc/81/79/45/495817945.db2.gz WGFGJOPZHMNZLS-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000161195636 496124899 /nfs/dbraw/zinc/12/48/99/496124899.db2.gz NEUHOWNPGPOYHR-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM CC[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000183949233 496173282 /nfs/dbraw/zinc/17/32/82/496173282.db2.gz IZXLCKJLQSKXKX-MRXNPFEDSA-N -1 1 371.462 3.218 20 30 FGEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187103780 496293994 /nfs/dbraw/zinc/29/39/94/496293994.db2.gz CZVYCLJIXULYHJ-ZCFIWIBFSA-N -1 1 372.071 3.336 20 30 FGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C#N ZINC000178613750 496517232 /nfs/dbraw/zinc/51/72/32/496517232.db2.gz WQAZOXPLOMVIDV-UHFFFAOYSA-N -1 1 358.419 3.030 20 30 FGEDMM C=CCN(CC=C)C(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163935900 496571652 /nfs/dbraw/zinc/57/16/52/496571652.db2.gz SHZKSYUFJVVZRO-HNNXBMFYSA-N -1 1 369.490 3.427 20 30 FGEDMM C=CCOc1ccc(OC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000266291350 497296782 /nfs/dbraw/zinc/29/67/82/497296782.db2.gz FXANPRNFBYRLKT-UHFFFAOYSA-N -1 1 360.435 3.316 20 30 FGEDMM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190051086 497338841 /nfs/dbraw/zinc/33/88/41/497338841.db2.gz JXDXIINQQVSWAV-UHFFFAOYSA-N -1 1 351.406 3.063 20 30 FGEDMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190103198 497357542 /nfs/dbraw/zinc/35/75/42/497357542.db2.gz DSBUPMJKYXPUML-UHFFFAOYSA-N -1 1 350.296 3.435 20 30 FGEDMM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190962248 497662218 /nfs/dbraw/zinc/66/22/18/497662218.db2.gz RDNYULIEALBQAF-HNNXBMFYSA-N -1 1 359.389 3.213 20 30 FGEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000330891063 498213232 /nfs/dbraw/zinc/21/32/32/498213232.db2.gz WWBYIOFEAWYLAY-LURJTMIESA-N -1 1 357.682 3.135 20 30 FGEDMM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2C1 ZINC000297686606 498537097 /nfs/dbraw/zinc/53/70/97/498537097.db2.gz HABHBUDAOAFICQ-SNVBAGLBSA-N -1 1 373.438 3.275 20 30 FGEDMM C=CCCCCCCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000287127048 498639994 /nfs/dbraw/zinc/63/99/94/498639994.db2.gz QQZCKHOPFIDECV-UHFFFAOYSA-N -1 1 354.454 3.348 20 30 FGEDMM CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000327346706 498855239 /nfs/dbraw/zinc/85/52/39/498855239.db2.gz PWFWQHJDSKTVAE-UHFFFAOYSA-N -1 1 362.382 3.126 20 30 FGEDMM COc1ncnc(OC)c1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 ZINC000411007882 499689829 /nfs/dbraw/zinc/68/98/29/499689829.db2.gz HGTIJONFRKPFPK-NXEZZACHSA-N -1 1 372.450 3.365 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@@H](C)C[C@@H](C)C4)nn21 ZINC000411015459 499690437 /nfs/dbraw/zinc/69/04/37/499690437.db2.gz QMWQKYSQZCJMIR-ZJUUUORDSA-N -1 1 366.450 3.304 20 30 FGEDMM N#Cc1cccc([N+](=O)[O-])c1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000412991322 499903050 /nfs/dbraw/zinc/90/30/50/499903050.db2.gz JQVYZIUMSLLDNC-UHFFFAOYSA-N -1 1 372.406 3.136 20 30 FGEDMM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1nc2ccccc2[nH]1 ZINC000429110610 500004943 /nfs/dbraw/zinc/00/49/43/500004943.db2.gz BVTDNRITAQQDME-OAHLLOKOSA-N -1 1 369.384 3.422 20 30 FGEDMM CCc1nc(SCC(=O)N(CCC#N)c2ccccc2)[n-]c(=O)c1C ZINC000570463677 506173508 /nfs/dbraw/zinc/17/35/08/506173508.db2.gz CLJGPIDWVREVNQ-UHFFFAOYSA-N -1 1 356.451 3.092 20 30 FGEDMM C=CC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000413984467 500116030 /nfs/dbraw/zinc/11/60/30/500116030.db2.gz IRJWMBVNVNDARH-MRXNPFEDSA-N -1 1 371.506 3.449 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cc1F ZINC000427778582 500431492 /nfs/dbraw/zinc/43/14/92/500431492.db2.gz BKWDBGMVHDTUPQ-UHFFFAOYSA-N -1 1 350.337 3.241 20 30 FGEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccco1 ZINC000435426832 500972618 /nfs/dbraw/zinc/97/26/18/500972618.db2.gz KCBCZHKCBSWCAO-KRWDZBQOSA-N -1 1 374.443 3.289 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)s1 ZINC000435482752 500984759 /nfs/dbraw/zinc/98/47/59/500984759.db2.gz IHQRXLQTNOBRPJ-AWEZNQCLSA-N -1 1 374.447 3.148 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)ccc1C#N ZINC000435749945 501022341 /nfs/dbraw/zinc/02/23/41/501022341.db2.gz ARXRZPQDXXTMSK-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)C#N)c2)c1 ZINC000611691927 506259527 /nfs/dbraw/zinc/25/95/27/506259527.db2.gz CCPBJHJLKVGFQW-UHFFFAOYSA-N -1 1 371.462 3.075 20 30 FGEDMM C=C(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000452724292 501551868 /nfs/dbraw/zinc/55/18/68/501551868.db2.gz QLJDQBVTAZNITL-GOSISDBHSA-N -1 1 352.434 3.232 20 30 FGEDMM C=CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000468371064 502038801 /nfs/dbraw/zinc/03/88/01/502038801.db2.gz DJXOLUJTWWKAJZ-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM N#Cc1ccccc1COc1cccc(/C=C\c2cc(=O)n3[n-]cnc3n2)c1 ZINC000486144586 502062269 /nfs/dbraw/zinc/06/22/69/502062269.db2.gz JGHJWAIDLYSFCU-HJWRWDBZSA-N -1 1 369.384 3.039 20 30 FGEDMM C[C@H](C#N)CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1CC1 ZINC000486812826 502272002 /nfs/dbraw/zinc/27/20/02/502272002.db2.gz SMOCIXQLDVKEPA-SNVBAGLBSA-N -1 1 374.238 3.467 20 30 FGEDMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479511687 502281488 /nfs/dbraw/zinc/28/14/88/502281488.db2.gz JNWSFNRQGIIQOQ-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM CC#CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000498604544 503224453 /nfs/dbraw/zinc/22/44/53/503224453.db2.gz IBUNVUKAPDSGOE-UHFFFAOYSA-N -1 1 374.437 3.078 20 30 FGEDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2O1 ZINC000507586014 503327452 /nfs/dbraw/zinc/32/74/52/503327452.db2.gz SQIZBQCRRVNCTA-UHFFFAOYSA-N -1 1 356.403 3.103 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000507924587 503397512 /nfs/dbraw/zinc/39/75/12/503397512.db2.gz YMHWPSKVEHRNRZ-UHFFFAOYSA-N -1 1 351.815 3.063 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000507982728 503408713 /nfs/dbraw/zinc/40/87/13/503408713.db2.gz GKFQCICLIXSFEE-UHFFFAOYSA-N -1 1 367.377 3.045 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3cccc(Cl)c3)c2)nc(C)n1 ZINC000516465243 503514956 /nfs/dbraw/zinc/51/49/56/503514956.db2.gz QVCYAGPIQWKUAD-MRXNPFEDSA-N -1 1 351.797 3.423 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)cc1[O-] ZINC000504248472 503543515 /nfs/dbraw/zinc/54/35/15/503543515.db2.gz WZIFBERUFXAAGI-OAHLLOKOSA-N -1 1 365.414 3.087 20 30 FGEDMM CC(C#N)=C([O-])N=c1cc(-c2cc(Br)ccc2Cl)[nH][nH]1 ZINC000531275260 504249610 /nfs/dbraw/zinc/24/96/10/504249610.db2.gz UQMNDNQXNYEJKZ-ZETCQYMHSA-N -1 1 353.607 3.013 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([C@H]3CCOC3)c2)n1 ZINC000534924278 504282832 /nfs/dbraw/zinc/28/28/32/504282832.db2.gz BTPJMBBRJBYTHM-LSDHHAIUSA-N -1 1 370.430 3.314 20 30 FGEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000546056078 504691733 /nfs/dbraw/zinc/69/17/33/504691733.db2.gz WUYRRRYYITWRKL-MRVPVSSYSA-N -1 1 354.216 3.360 20 30 FGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000566759788 505265393 /nfs/dbraw/zinc/26/53/93/505265393.db2.gz XZHPRTGUIXSZNB-UHFFFAOYSA-N -1 1 361.732 3.426 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C(c2ccc(F)cc2)c2ccc(F)cc2)o1 ZINC000561484590 505358412 /nfs/dbraw/zinc/35/84/12/505358412.db2.gz KVKVOIJRFGMLKE-UHFFFAOYSA-N -1 1 374.368 3.497 20 30 FGEDMM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000561803814 505440997 /nfs/dbraw/zinc/44/09/97/505440997.db2.gz AZPQZAOWYIOAMA-GFCCVEGCSA-N -1 1 373.815 3.407 20 30 FGEDMM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2ccncn2)cs1 ZINC000562138921 505526300 /nfs/dbraw/zinc/52/63/00/505526300.db2.gz HASUGMMVGRTZRS-HNNXBMFYSA-N -1 1 350.403 3.311 20 30 FGEDMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593193677 506455619 /nfs/dbraw/zinc/45/56/19/506455619.db2.gz ZNFYXRMHZRPATL-UHFFFAOYSA-N -1 1 371.462 3.038 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1 ZINC000589169065 506467995 /nfs/dbraw/zinc/46/79/95/506467995.db2.gz UTHWFPSUJBPROE-UHFFFAOYSA-N -1 1 359.385 3.168 20 30 FGEDMM CCCCOc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589169726 506469399 /nfs/dbraw/zinc/46/93/99/506469399.db2.gz MUNKAJQGZQRMMQ-UHFFFAOYSA-N -1 1 354.406 3.381 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc3cc(Br)ccc3[nH]2)c1 ZINC000589207385 506485430 /nfs/dbraw/zinc/48/54/30/506485430.db2.gz RTAUPINRIXGUOH-UHFFFAOYSA-N -1 1 370.206 3.438 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000589530635 506579080 /nfs/dbraw/zinc/57/90/80/506579080.db2.gz TTXFTFVSVQMONX-INIZCTEOSA-N -1 1 352.394 3.282 20 30 FGEDMM C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000593737077 506754790 /nfs/dbraw/zinc/75/47/90/506754790.db2.gz LJIPXVCBVLWBTB-CYBMUJFWSA-N -1 1 355.825 3.268 20 30 FGEDMM COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cncc([O-])c3)c2)c1 ZINC000609492266 506897232 /nfs/dbraw/zinc/89/72/32/506897232.db2.gz JPQPFGWMHTUYSA-UHFFFAOYSA-N -1 1 372.380 3.226 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)CC2(C#N)CCOCC2)c1 ZINC000597473902 506968150 /nfs/dbraw/zinc/96/81/50/506968150.db2.gz CWXRAHIAGGABJC-UHFFFAOYSA-N -1 1 353.216 3.112 20 30 FGEDMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000583830313 506998300 /nfs/dbraw/zinc/99/83/00/506998300.db2.gz UDOXYAVYCSDSDP-XXFAHNHDSA-N -1 1 366.801 3.151 20 30 FGEDMM N#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)cc1[O-] ZINC000597877220 507150636 /nfs/dbraw/zinc/15/06/36/507150636.db2.gz DUVSYVNBODGUAN-CYBMUJFWSA-N -1 1 355.825 3.174 20 30 FGEDMM C=CCN(CCc1ccccc1)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000584177780 507195791 /nfs/dbraw/zinc/19/57/91/507195791.db2.gz MTLIBHNDYFXQIE-QGZVFWFLSA-N -1 1 366.461 3.120 20 30 FGEDMM COc1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c1 ZINC000601433013 507361412 /nfs/dbraw/zinc/36/14/12/507361412.db2.gz LLTNRCMAQADNAG-UHFFFAOYSA-N -1 1 364.426 3.291 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000614293439 507444758 /nfs/dbraw/zinc/44/47/58/507444758.db2.gz GTBVQASZJQQOQQ-UHFFFAOYSA-N -1 1 365.370 3.368 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(F)c(Br)c2)c1 ZINC000614297222 507446485 /nfs/dbraw/zinc/44/64/85/507446485.db2.gz YCJATLBXYGHSQA-UHFFFAOYSA-N -1 1 363.186 3.138 20 30 FGEDMM COC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(SC)cc1 ZINC000614366853 507480339 /nfs/dbraw/zinc/48/03/39/507480339.db2.gz ZKUFZXKDYIMNDP-QGZVFWFLSA-N -1 1 370.430 3.020 20 30 FGEDMM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)[C@H](C)CO2)c1 ZINC000614370507 507482375 /nfs/dbraw/zinc/48/23/75/507482375.db2.gz FFGNPJQKRSXIHE-FOIQADDNSA-N -1 1 350.418 3.483 20 30 FGEDMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614371711 507483252 /nfs/dbraw/zinc/48/32/52/507483252.db2.gz CCFCMIRZJVZBRI-UHFFFAOYSA-N -1 1 350.296 3.435 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000592351010 507613330 /nfs/dbraw/zinc/61/33/30/507613330.db2.gz MDYPIHOPLAQJEJ-DZGCQCFKSA-N -1 1 356.513 3.494 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)CCCC2CCOCC2)nc2ccccc12 ZINC000592384131 507630702 /nfs/dbraw/zinc/63/07/02/507630702.db2.gz FUTUOQIAUGLKHY-UHFFFAOYSA-N -1 1 359.451 3.055 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)Cc3occc32)o1 ZINC000735939399 598581714 /nfs/dbraw/zinc/58/17/14/598581714.db2.gz PHLMJWSHSUETRS-UHFFFAOYSA-N -1 1 355.402 3.360 20 30 FGEDMM Clc1cc(Cl)c(N=NCc2ccc(-c3nnn[n-]3)o2)nc1Cl ZINC000822568007 599332478 /nfs/dbraw/zinc/33/24/78/599332478.db2.gz KBHULMYTTBUHEH-UHFFFAOYSA-N -1 1 358.576 3.261 20 30 FGEDMM Clc1cc(Cl)c(N=NCc2ccc(-c3nn[n-]n3)o2)nc1Cl ZINC000822568007 599332481 /nfs/dbraw/zinc/33/24/81/599332481.db2.gz KBHULMYTTBUHEH-UHFFFAOYSA-N -1 1 358.576 3.261 20 30 FGEDMM C#CC[N@H+](CCCC(=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000736079297 600231417 /nfs/dbraw/zinc/23/14/17/600231417.db2.gz KJTHTXOOUAFCMN-CQSZACIVSA-N -1 1 352.228 3.073 20 30 FGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000739106385 600561829 /nfs/dbraw/zinc/56/18/29/600561829.db2.gz RQJFGWZIVGJLSL-XBGMYJNYSA-N -1 1 361.445 3.015 20 30 FGEDMM N#Cc1ccc([C@@H](NCc2ccccc2OC(F)(F)F)C(=O)[O-])cc1 ZINC000739104472 600592440 /nfs/dbraw/zinc/59/24/40/600592440.db2.gz BBHOVZIITRJRPU-OAHLLOKOSA-N -1 1 350.296 3.372 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3c2c(F)ccc3F)o1 ZINC000824352779 607530341 /nfs/dbraw/zinc/53/03/41/607530341.db2.gz NAMMMDRUJWSRCI-UHFFFAOYSA-N -1 1 359.340 3.019 20 30 FGEDMM CN(Cc1ccc(OCC#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830840447 601899537 /nfs/dbraw/zinc/89/95/37/601899537.db2.gz NNGJIXQMZXBSGB-KRWDZBQOSA-N -1 1 364.323 3.264 20 30 FGEDMM Clc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000826351094 607571286 /nfs/dbraw/zinc/57/12/86/607571286.db2.gz WYWKXQAFQUBJQX-UHFFFAOYSA-N -1 1 367.594 3.322 20 30 FGEDMM Clc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000826351094 607571288 /nfs/dbraw/zinc/57/12/88/607571288.db2.gz WYWKXQAFQUBJQX-UHFFFAOYSA-N -1 1 367.594 3.322 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000825264652 604207860 /nfs/dbraw/zinc/20/78/60/604207860.db2.gz MLBOJUYIMDXULG-STQMWFEESA-N -1 1 351.834 3.110 20 30 FGEDMM O=C([O-])Nc1cccc(CON=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000834269874 605992539 /nfs/dbraw/zinc/99/25/39/605992539.db2.gz VBTUFFNYZCDKBV-UHFFFAOYSA-N -1 1 355.394 3.164 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2c3ccccc3C[C@@H]2C)o1 ZINC000820108985 606201891 /nfs/dbraw/zinc/20/18/91/606201891.db2.gz XSQQHQYRSWNSKJ-NSHDSACASA-N -1 1 351.414 3.062 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(F)cc32)o1 ZINC000819965395 606370433 /nfs/dbraw/zinc/37/04/33/606370433.db2.gz FDHXRFIOIZIAMW-UHFFFAOYSA-N -1 1 355.377 3.054 20 30 FGEDMM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000821134491 606390336 /nfs/dbraw/zinc/39/03/36/606390336.db2.gz XLDAZOWNLFLLDB-FLIBITNWSA-N -1 1 368.418 3.376 20 30 FGEDMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCSC1=Nc1ccccc1 ZINC000823483937 606489930 /nfs/dbraw/zinc/48/99/30/606489930.db2.gz PPOWRJDJWHPEGB-UHFFFAOYSA-N -1 1 370.463 3.195 20 30 FGEDMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCSC1=Nc1ccccc1 ZINC000823483937 606489932 /nfs/dbraw/zinc/48/99/32/606489932.db2.gz PPOWRJDJWHPEGB-UHFFFAOYSA-N -1 1 370.463 3.195 20 30 FGEDMM CCC1(CC)C(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[C@H]1OC ZINC000820958398 606820342 /nfs/dbraw/zinc/82/03/42/606820342.db2.gz UOIZNYLDVIDLBD-LLVKDONJSA-N -1 1 361.450 3.145 20 30 FGEDMM CC(C)(C#N)c1ccccc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000819891975 607154419 /nfs/dbraw/zinc/15/44/19/607154419.db2.gz OFMKZCMJPDNPNV-UHFFFAOYSA-N -1 1 353.407 3.086 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2cccc(C#N)c2)c(-c2nnn[n-]2)s1 ZINC000824130580 607929873 /nfs/dbraw/zinc/92/98/73/607929873.db2.gz NEPYYGOGJJUACB-UHFFFAOYSA-N -1 1 352.423 3.350 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)c2cccc(C#N)c2)c(-c2nn[n-]n2)s1 ZINC000824130580 607929874 /nfs/dbraw/zinc/92/98/74/607929874.db2.gz NEPYYGOGJJUACB-UHFFFAOYSA-N -1 1 352.423 3.350 20 30 FGEDMM N#Cc1ccc(C2=CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000826385159 608442578 /nfs/dbraw/zinc/44/25/78/608442578.db2.gz ZTTJISRFJRWKOZ-UHFFFAOYSA-N -1 1 363.812 3.080 20 30 FGEDMM N#Cc1ccc(C2=CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000826385159 608442580 /nfs/dbraw/zinc/44/25/80/608442580.db2.gz ZTTJISRFJRWKOZ-UHFFFAOYSA-N -1 1 363.812 3.080 20 30 FGEDMM C=C(C)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000045795127 695826849 /nfs/dbraw/zinc/82/68/49/695826849.db2.gz GEMDGGYIKWBJIY-UHFFFAOYSA-N -1 1 361.419 3.229 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)nc(C)n1 ZINC000049407342 695894454 /nfs/dbraw/zinc/89/44/54/695894454.db2.gz IKYNTGBWSKYCGE-MRXNPFEDSA-N -1 1 351.797 3.423 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000084713107 700362024 /nfs/dbraw/zinc/36/20/24/700362024.db2.gz BNFCMNMVQLJQSO-OAHLLOKOSA-N -1 1 362.382 3.085 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1 ZINC000109425765 700534820 /nfs/dbraw/zinc/53/48/20/700534820.db2.gz AZEPSAYULUSOJL-UHFFFAOYSA-N -1 1 363.389 3.237 20 30 FGEDMM N#Cc1ccc(CNC(=O)CCn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000121701976 700678355 /nfs/dbraw/zinc/67/83/55/700678355.db2.gz OMEXYGFMJQDUIN-UHFFFAOYSA-N -1 1 369.475 3.247 20 30 FGEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000130409904 700801631 /nfs/dbraw/zinc/80/16/31/700801631.db2.gz DMNLMBXUSZIELK-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)cc2Br)c(=O)o1 ZINC000178985435 705684508 /nfs/dbraw/zinc/68/45/08/705684508.db2.gz FIHAZURACYTBOQ-LYKUJDHUSA-N -1 1 369.598 3.331 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2Br)c(=O)o1 ZINC000254982032 713678970 /nfs/dbraw/zinc/67/89/70/713678970.db2.gz MJNJZCSJLMNFTO-DQWBNOTDSA-N -1 1 369.598 3.331 20 30 FGEDMM N#Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[O-] ZINC000615468672 714530096 /nfs/dbraw/zinc/53/00/96/714530096.db2.gz WHKFXAITIOTNDJ-QWRGUYRKSA-N -1 1 366.261 3.467 20 30 FGEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000618086919 714717908 /nfs/dbraw/zinc/71/79/08/714717908.db2.gz GINVBGRAQDXAMB-UHFFFAOYSA-N -1 1 357.435 3.243 20 30 FGEDMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000619569633 714853568 /nfs/dbraw/zinc/85/35/68/714853568.db2.gz GOJIKQFFQJTJIF-UHFFFAOYSA-N -1 1 355.463 3.277 20 30 FGEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000783904764 724801626 /nfs/dbraw/zinc/80/16/26/724801626.db2.gz MCLIZPJBASDVCZ-NSHDSACASA-N -1 1 358.236 3.459 20 30 FGEDMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000728507982 722452111 /nfs/dbraw/zinc/45/21/11/722452111.db2.gz LEFPRMLGUMLWIL-UHFFFAOYSA-N -1 1 361.448 3.133 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(C)c(C)cc1C ZINC000748254771 722681763 /nfs/dbraw/zinc/68/17/63/722681763.db2.gz GBFNWEGEUMNWGE-UHFFFAOYSA-N -1 1 361.423 3.223 20 30 FGEDMM C#CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000761055241 723117945 /nfs/dbraw/zinc/11/79/45/723117945.db2.gz CPJGWWFVUPRVDD-UHFFFAOYSA-N -1 1 363.822 3.239 20 30 FGEDMM C#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000761075835 723119842 /nfs/dbraw/zinc/11/98/42/723119842.db2.gz RTXAOFJLUDUMOE-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000766481795 723576286 /nfs/dbraw/zinc/57/62/86/723576286.db2.gz ADYPWTZYIVATRX-UHFFFAOYSA-N -1 1 366.324 3.088 20 30 FGEDMM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000796749106 723653370 /nfs/dbraw/zinc/65/33/70/723653370.db2.gz XEFVPNACNQKUEZ-LBPRGKRZSA-N -1 1 366.208 3.127 20 30 FGEDMM N#C[C@@H](C(=O)[C@H]1C[C@@H]1C(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000802036046 724354372 /nfs/dbraw/zinc/35/43/72/724354372.db2.gz PNEIIQBRBQDFKY-GUBZILKMSA-N -1 1 363.389 3.353 20 30 FGEDMM CC(C)Sc1cccc(Cl)c1C=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC000786039475 724955415 /nfs/dbraw/zinc/95/54/15/724955415.db2.gz HLMGUCQIVASIOO-UHFFFAOYSA-N -1 1 362.846 3.032 20 30 FGEDMM C#C[C@@H](CC)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000806399553 725127196 /nfs/dbraw/zinc/12/71/96/725127196.db2.gz RYTQRSPDZLYRHT-AWEZNQCLSA-N -1 1 357.435 3.021 20 30 FGEDMM COC(=O)c1ccc([C@H]([N-]C(=O)[C@H](F)C(F)(F)F)C(F)(F)F)cc1 ZINC000811163105 725348304 /nfs/dbraw/zinc/34/83/04/725348304.db2.gz RRKIISKXVZXMFG-IUCAKERBSA-N -1 1 361.213 3.093 20 30 FGEDMM [O-]c1cc(F)c(Cl)cc1C=NN1C(=S)N=NC1[C@@H]1CCCCO1 ZINC000814860899 727006588 /nfs/dbraw/zinc/00/65/88/727006588.db2.gz HLPZLLYYDDUHGL-LBPRGKRZSA-N -1 1 356.810 3.189 20 30 FGEDMM O=C(C=Cc1cc(-n2ccnc2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400201 729408017 /nfs/dbraw/zinc/40/80/17/729408017.db2.gz RWLHZQRAECGXGO-UPHRSURJSA-N -1 1 354.420 3.072 20 30 FGEDMM COCCc1nc(C)c(C(C)=NNc2ccc(C(=O)[O-])cc2F)s1 ZINC000835012831 729849785 /nfs/dbraw/zinc/84/97/85/729849785.db2.gz WMTRCEDUAOHKBP-UHFFFAOYSA-N -1 1 351.403 3.314 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000853290155 731691750 /nfs/dbraw/zinc/69/17/50/731691750.db2.gz WMTOWAUDOIKEFM-QWRGUYRKSA-N -1 1 359.373 3.080 20 30 FGEDMM N#C[C@]1(c2ccccn2)CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000869233784 733706838 /nfs/dbraw/zinc/70/68/38/733706838.db2.gz FQTRVNMCVFESJW-LJQANCHMSA-N -1 1 355.825 3.067 20 30 FGEDMM N#CC1(CCCCS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)CCC1 ZINC000899490426 742949887 /nfs/dbraw/zinc/94/98/87/742949887.db2.gz PLZULZYSCGNFNL-UHFFFAOYSA-N -1 1 364.496 3.095 20 30 FGEDMM N#CC1(CCCCS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)CCC1 ZINC000899490426 742949895 /nfs/dbraw/zinc/94/98/95/742949895.db2.gz PLZULZYSCGNFNL-UHFFFAOYSA-N -1 1 364.496 3.095 20 30 FGEDMM N#CC1(CCCCS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)CCC1 ZINC000899490426 742949896 /nfs/dbraw/zinc/94/98/96/742949896.db2.gz PLZULZYSCGNFNL-UHFFFAOYSA-N -1 1 364.496 3.095 20 30 FGEDMM O=C(COc1ccc(Br)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901378295 743262939 /nfs/dbraw/zinc/26/29/39/743262939.db2.gz GANKOHXZFLUUGU-UHFFFAOYSA-N -1 1 354.175 3.385 20 30 FGEDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2C1 ZINC000901648352 743610503 /nfs/dbraw/zinc/61/05/03/743610503.db2.gz APQJVYJOZGGLHD-GOSISDBHSA-N -1 1 356.447 3.057 20 30 FGEDMM CC(C)n1ccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)n1 ZINC000906963902 744175540 /nfs/dbraw/zinc/17/55/40/744175540.db2.gz UGRBOGRPQLOHNN-UHFFFAOYSA-N -1 1 360.464 3.029 20 30 FGEDMM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccc(Cl)s1 ZINC000916963076 758156882 /nfs/dbraw/zinc/15/68/82/758156882.db2.gz NTSFLSBCWYDEIH-JTQLQIEISA-N -1 1 362.794 3.134 20 30 FGEDMM CC(C)C(CCc1ccccc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000917548023 758236351 /nfs/dbraw/zinc/23/63/51/758236351.db2.gz IJHDOGYKGWVCNG-UHFFFAOYSA-N -1 1 355.463 3.370 20 30 FGEDMM N#C[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000928216869 760117671 /nfs/dbraw/zinc/11/76/71/760117671.db2.gz ZIQYMCBTLQJPOE-SNVBAGLBSA-N -1 1 360.211 3.079 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc1 ZINC000057785775 493797618 /nfs/dbraw/zinc/79/76/18/493797618.db2.gz NOAHBPMJTKZZSA-UHFFFAOYSA-N -1 1 368.443 3.300 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000029329466 493834107 /nfs/dbraw/zinc/83/41/07/493834107.db2.gz AYWXPQAXEMIEPS-UHFFFAOYSA-N -1 1 365.842 3.448 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000076937432 493992527 /nfs/dbraw/zinc/99/25/27/493992527.db2.gz MIOKENBZDMMRBL-ZIAGYGMSSA-N -1 1 354.497 3.249 20 30 FGEDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055616640 494373823 /nfs/dbraw/zinc/37/38/23/494373823.db2.gz HQJVDWOYDLPXAP-UHFFFAOYSA-N -1 1 363.826 3.361 20 30 FGEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000055640173 494379998 /nfs/dbraw/zinc/37/99/98/494379998.db2.gz NPWCASUGSFIDOS-UHFFFAOYSA-N -1 1 358.419 3.373 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000045851071 494469132 /nfs/dbraw/zinc/46/91/32/494469132.db2.gz RVODANXHNDZLDX-AWEZNQCLSA-N -1 1 371.462 3.028 20 30 FGEDMM Cc1cccn2c1ncc(C([O-])=C(C#N)c1nc3ccccc3s1)c2=O ZINC000091104515 494534495 /nfs/dbraw/zinc/53/44/95/494534495.db2.gz GHZVJPRLSLTCIZ-LBPRGKRZSA-N -1 1 360.398 3.103 20 30 FGEDMM Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000131464272 494627653 /nfs/dbraw/zinc/62/76/53/494627653.db2.gz LMOBBJBEQBOUSW-UHFFFAOYSA-N -1 1 355.463 3.263 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)ccc1Cl ZINC000116601927 494823586 /nfs/dbraw/zinc/82/35/86/494823586.db2.gz CTXODBFEWPDAIK-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000026536281 494830879 /nfs/dbraw/zinc/83/08/79/494830879.db2.gz BOWCTCMQUHJWGQ-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000123509884 495143639 /nfs/dbraw/zinc/14/36/39/495143639.db2.gz LGOMDUIABXTNHT-QGZVFWFLSA-N -1 1 355.825 3.068 20 30 FGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000123720682 495176077 /nfs/dbraw/zinc/17/60/77/495176077.db2.gz DHRUDKWQWSLBPH-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2C)o1 ZINC000135403885 495287625 /nfs/dbraw/zinc/28/76/25/495287625.db2.gz IVFOYMGIALUGMR-UHFFFAOYSA-N -1 1 356.407 3.267 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c([N+](=O)[O-])c1 ZINC000130407728 495387769 /nfs/dbraw/zinc/38/77/69/495387769.db2.gz KSDDVWMQMAVZDQ-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1OC(C)C ZINC000185630870 495652979 /nfs/dbraw/zinc/65/29/79/495652979.db2.gz UDUPUUDMJPTPFD-UHFFFAOYSA-N -1 1 360.435 3.463 20 30 FGEDMM C=CCOc1cccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000161004182 496082846 /nfs/dbraw/zinc/08/28/46/496082846.db2.gz QWGMYHILDSVWTH-UHFFFAOYSA-N -1 1 366.421 3.188 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)NC(C)(C)C)c1 ZINC000172590528 496354679 /nfs/dbraw/zinc/35/46/79/496354679.db2.gz XHZLLSRIBUEARL-UHFFFAOYSA-N -1 1 371.462 3.196 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1C(=O)NC(C)C ZINC000172591823 496356412 /nfs/dbraw/zinc/35/64/12/496356412.db2.gz ZOVYPAXBGRMLDN-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM CC(C)c1csc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000185213563 496705847 /nfs/dbraw/zinc/70/58/47/496705847.db2.gz GFKFFCVWVULTJX-UHFFFAOYSA-N -1 1 355.872 3.270 20 30 FGEDMM C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188272116 496736689 /nfs/dbraw/zinc/73/66/89/496736689.db2.gz YPFBLVABFKBVQZ-CYBMUJFWSA-N -1 1 371.387 3.061 20 30 FGEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(CC)cc(=O)[n-]1 ZINC000195062701 496809944 /nfs/dbraw/zinc/80/99/44/496809944.db2.gz JFAFTYYMHHZIAA-GFCCVEGCSA-N -1 1 363.508 3.089 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1[O-] ZINC000189177308 497034003 /nfs/dbraw/zinc/03/40/03/497034003.db2.gz PCDZUOHSSJDNOI-CYBMUJFWSA-N -1 1 359.788 3.065 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000226136447 497081608 /nfs/dbraw/zinc/08/16/08/497081608.db2.gz JIGWMEMKUMCCDO-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)s1 ZINC000230334326 497105064 /nfs/dbraw/zinc/10/50/64/497105064.db2.gz ROHPBEBTSOATHE-UHFFFAOYSA-N -1 1 361.217 3.322 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1Br ZINC000230343793 497105087 /nfs/dbraw/zinc/10/50/87/497105087.db2.gz GXXRYGXRLCQRMT-UHFFFAOYSA-N -1 1 357.254 3.492 20 30 FGEDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1[N+](=O)[O-] ZINC000192546008 497145834 /nfs/dbraw/zinc/14/58/34/497145834.db2.gz NDAJOBPHGPVTMK-SNVBAGLBSA-N -1 1 359.411 3.384 20 30 FGEDMM C=CCC[C@H](C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000189557634 497163086 /nfs/dbraw/zinc/16/30/86/497163086.db2.gz IYIBHPYTYUEXOF-KRWDZBQOSA-N -1 1 364.449 3.006 20 30 FGEDMM CCOc1cc(-c2noc(C(C)(C)C#N)n2)cc(Br)c1[O-] ZINC000267101042 497485888 /nfs/dbraw/zinc/48/58/88/497485888.db2.gz OYIQRKCJLVPUCL-UHFFFAOYSA-N -1 1 352.188 3.405 20 30 FGEDMM C=CCOc1ccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1OC ZINC000276404323 497565030 /nfs/dbraw/zinc/56/50/30/497565030.db2.gz XAYIEKVZQDAEMD-JLHYYAGUSA-N -1 1 370.405 3.493 20 30 FGEDMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000190693501 497574698 /nfs/dbraw/zinc/57/46/98/497574698.db2.gz IIRUNGUVGGQTFA-ZDUSSCGKSA-N -1 1 351.406 3.178 20 30 FGEDMM N#CC(=C([O-])c1ccnc(OCC(F)F)c1)c1cnc2ccccc2n1 ZINC000190885537 497632437 /nfs/dbraw/zinc/63/24/37/497632437.db2.gz JAKXXFMFZTWJSJ-LBPRGKRZSA-N -1 1 354.316 3.159 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)o1 ZINC000569381586 505921560 /nfs/dbraw/zinc/92/15/60/505921560.db2.gz KUACGDIEOVGZJV-UHFFFAOYSA-N -1 1 354.347 3.088 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCC#N)ccc2C)c1 ZINC000273045013 497790080 /nfs/dbraw/zinc/79/00/80/497790080.db2.gz BJJUJTVQFNEUQO-UHFFFAOYSA-N -1 1 371.462 3.138 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(=O)OC(C)C ZINC000578812876 506026269 /nfs/dbraw/zinc/02/62/69/506026269.db2.gz YKDBMWBZQSUHBV-UHFFFAOYSA-N -1 1 358.419 3.233 20 30 FGEDMM CCc1cc(=O)[n-]c(SCc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000365468069 498482677 /nfs/dbraw/zinc/48/26/77/498482677.db2.gz MQIXSBSJZWDRBY-UHFFFAOYSA-N -1 1 351.435 3.309 20 30 FGEDMM C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000287495996 498777975 /nfs/dbraw/zinc/77/79/75/498777975.db2.gz UJGWHLHNIKPOMH-INIZCTEOSA-N -1 1 351.450 3.153 20 30 FGEDMM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000322844911 498818173 /nfs/dbraw/zinc/81/81/73/498818173.db2.gz SCQFMCGSQGIYJX-UHFFFAOYSA-N -1 1 370.839 3.169 20 30 FGEDMM C=C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000333025492 498873692 /nfs/dbraw/zinc/87/36/92/498873692.db2.gz GFRXXSVCBGNPAR-LJQANCHMSA-N -1 1 364.445 3.329 20 30 FGEDMM N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000373712606 499484558 /nfs/dbraw/zinc/48/45/58/499484558.db2.gz HFAZGMZKFYUULG-MRXNPFEDSA-N -1 1 369.808 3.047 20 30 FGEDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C#N)c(C)c2)c1OC ZINC000417579379 500115796 /nfs/dbraw/zinc/11/57/96/500115796.db2.gz CDFBYHQEVNGBDT-KRWDZBQOSA-N -1 1 354.406 3.190 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1F ZINC000427121646 500356147 /nfs/dbraw/zinc/35/61/47/500356147.db2.gz ZZMTXTKQEOGIAL-UHFFFAOYSA-N -1 1 373.331 3.472 20 30 FGEDMM COc1cc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc(Cl)c1[O-] ZINC000443064619 500672288 /nfs/dbraw/zinc/67/22/88/500672288.db2.gz YKWQZUVSAWIBCW-KRWDZBQOSA-N -1 1 372.808 3.140 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)s1 ZINC000435428062 500973079 /nfs/dbraw/zinc/97/30/79/500973079.db2.gz PAXJXYXSYFIRJL-UHFFFAOYSA-N -1 1 364.345 3.256 20 30 FGEDMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435718546 501016640 /nfs/dbraw/zinc/01/66/40/501016640.db2.gz XMOKCIPIWKKNSE-UHFFFAOYSA-N -1 1 372.446 3.118 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436191600 501086414 /nfs/dbraw/zinc/08/64/14/501086414.db2.gz ZLISXPWFULOSRN-UHFFFAOYSA-N -1 1 369.446 3.193 20 30 FGEDMM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000463471044 501733146 /nfs/dbraw/zinc/73/31/46/501733146.db2.gz LRUWWFMXULLJNR-JTQLQIEISA-N -1 1 369.643 3.068 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000477836539 501803455 /nfs/dbraw/zinc/80/34/55/501803455.db2.gz GBTCNLVWCOHJPK-MRXNPFEDSA-N -1 1 355.401 3.308 20 30 FGEDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1)OCO2 ZINC000481830368 501894437 /nfs/dbraw/zinc/89/44/37/501894437.db2.gz ILALALDQVSRTNT-UHFFFAOYSA-N -1 1 350.783 3.050 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2cccc(OCC(F)(F)F)c2)cc1[O-] ZINC000478530658 502010844 /nfs/dbraw/zinc/01/08/44/502010844.db2.gz QZNIOXLGPYCOJR-UHFFFAOYSA-N -1 1 364.323 3.177 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000475805252 502297021 /nfs/dbraw/zinc/29/70/21/502297021.db2.gz DSMUAVODYNFYAU-UHFFFAOYSA-N -1 1 350.403 3.010 20 30 FGEDMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1CC#N ZINC000475810512 502297518 /nfs/dbraw/zinc/29/75/18/502297518.db2.gz JRZSRTIAKLTQBV-UHFFFAOYSA-N -1 1 374.418 3.040 20 30 FGEDMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475821970 502300909 /nfs/dbraw/zinc/30/09/09/502300909.db2.gz RWYLNLHEVSHCSB-UHFFFAOYSA-N -1 1 371.462 3.035 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000484970152 502789748 /nfs/dbraw/zinc/78/97/48/502789748.db2.gz FSYMUKUGASJZRC-UHFFFAOYSA-N -1 1 374.418 3.153 20 30 FGEDMM CC#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000498577200 503218229 /nfs/dbraw/zinc/21/82/29/503218229.db2.gz OISSADJNJCTYAO-UHFFFAOYSA-N -1 1 374.437 3.078 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000507935710 503399009 /nfs/dbraw/zinc/39/90/09/503399009.db2.gz JSUIGHZBVZAIDE-UHFFFAOYSA-N -1 1 359.451 3.496 20 30 FGEDMM Cc1cnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[n-]c1=O ZINC000566497954 505190080 /nfs/dbraw/zinc/19/00/80/505190080.db2.gz PLMLMIJTCJMNMQ-VIFPVBQESA-N -1 1 360.464 3.032 20 30 FGEDMM C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557813314 505237076 /nfs/dbraw/zinc/23/70/76/505237076.db2.gz AOTICVWJUPSPDF-VIFPVBQESA-N -1 1 359.234 3.368 20 30 FGEDMM Cc1cccc(O[C@@H]2CCCC[C@H]2[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000557841121 505244192 /nfs/dbraw/zinc/24/41/92/505244192.db2.gz IYQJXYBPDMTTTE-IAGOWNOFSA-N -1 1 360.435 3.128 20 30 FGEDMM CN1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589195023 506476793 /nfs/dbraw/zinc/47/67/93/506476793.db2.gz BRFCOKWQCHRDQM-ZWKOTPCHSA-N -1 1 373.815 3.232 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(OCc3ccccc3F)CC2)c1 ZINC000589197569 506479683 /nfs/dbraw/zinc/47/96/83/506479683.db2.gz XTDMTZDASKPCPP-UHFFFAOYSA-N -1 1 354.381 3.224 20 30 FGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Cl ZINC000603987186 506680992 /nfs/dbraw/zinc/68/09/92/506680992.db2.gz LYLMIIVRROKNMA-UHFFFAOYSA-N -1 1 364.810 3.189 20 30 FGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(C3CCC3)CC2)cc1Br ZINC000593647050 506712979 /nfs/dbraw/zinc/71/29/79/506712979.db2.gz VVRLMFOJEULURN-UHFFFAOYSA-N -1 1 373.247 3.071 20 30 FGEDMM CCO[C@@H](CS(=O)(=O)[N-]c1ccccc1SCCC#N)C1CC1 ZINC000600646865 507047925 /nfs/dbraw/zinc/04/79/25/507047925.db2.gz DJTBLLHBGUWLNC-HNNXBMFYSA-N -1 1 354.497 3.249 20 30 FGEDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1OC ZINC000600664658 507054447 /nfs/dbraw/zinc/05/44/47/507054447.db2.gz FADVAHSMAFLAPO-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000610058759 507085036 /nfs/dbraw/zinc/08/50/36/507085036.db2.gz YARMPWDLTAYANP-UHFFFAOYSA-N -1 1 367.789 3.110 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c1 ZINC000597879225 507152249 /nfs/dbraw/zinc/15/22/49/507152249.db2.gz WPNZVEXKJQUSDH-CYBMUJFWSA-N -1 1 355.825 3.174 20 30 FGEDMM N#CC1(CCS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)CCCCC1 ZINC000591246045 507168715 /nfs/dbraw/zinc/16/87/15/507168715.db2.gz DLRRQULQKAIDJI-UHFFFAOYSA-N -1 1 364.496 3.095 20 30 FGEDMM N#CC1(CCS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)CCCCC1 ZINC000591246045 507168720 /nfs/dbraw/zinc/16/87/20/507168720.db2.gz DLRRQULQKAIDJI-UHFFFAOYSA-N -1 1 364.496 3.095 20 30 FGEDMM N#CC1(CCS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)CCCCC1 ZINC000591246045 507168727 /nfs/dbraw/zinc/16/87/27/507168727.db2.gz DLRRQULQKAIDJI-UHFFFAOYSA-N -1 1 364.496 3.095 20 30 FGEDMM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298188 507445853 /nfs/dbraw/zinc/44/58/53/507445853.db2.gz OVGNAVGEEZCKBI-LLVKDONJSA-N -1 1 364.323 3.480 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1 ZINC000614297032 507446535 /nfs/dbraw/zinc/44/65/35/507446535.db2.gz KUSARAFJJNHGST-UHFFFAOYSA-N -1 1 350.296 3.091 20 30 FGEDMM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000611197905 507558008 /nfs/dbraw/zinc/55/80/08/507558008.db2.gz BDAIFSDTLZKIDW-IBGZPJMESA-N -1 1 373.416 3.261 20 30 FGEDMM CC[C@@](NC(=O)c1cc([O-])cc(C#N)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000587998408 507728722 /nfs/dbraw/zinc/72/87/22/507728722.db2.gz QKTHPUBIKKMVKE-IBGZPJMESA-N -1 1 372.808 3.126 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc3cc(F)ccc3o2)o1 ZINC000735657045 599127500 /nfs/dbraw/zinc/12/75/00/599127500.db2.gz NEUVJNUYRZCJCV-UHFFFAOYSA-N -1 1 369.360 3.484 20 30 FGEDMM C#CCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735375175 599193910 /nfs/dbraw/zinc/19/39/10/599193910.db2.gz VHPDUHMWGSCWKQ-UHFFFAOYSA-N -1 1 367.796 3.066 20 30 FGEDMM N#Cc1ccc(Oc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)cc1 ZINC000737722257 598349048 /nfs/dbraw/zinc/34/90/48/598349048.db2.gz RENHDMUDSGXSLX-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccc(Oc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)cc1 ZINC000737722257 598349049 /nfs/dbraw/zinc/34/90/49/598349049.db2.gz RENHDMUDSGXSLX-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738902164 600591540 /nfs/dbraw/zinc/59/15/40/600591540.db2.gz HUPOHTQVGZCCBZ-FQEVSTJZSA-N -1 1 360.417 3.276 20 30 FGEDMM CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736886576 600594818 /nfs/dbraw/zinc/59/48/18/600594818.db2.gz KBWHIJYZMWMKAN-IFXJQAMLSA-N -1 1 365.433 3.002 20 30 FGEDMM C[C@@H](NC(=O)[O-])C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000825286942 603962773 /nfs/dbraw/zinc/96/27/73/603962773.db2.gz GPNOHEQLLPESRD-CYBMUJFWSA-N -1 1 354.372 3.425 20 30 FGEDMM N#CC(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000831064309 604224762 /nfs/dbraw/zinc/22/47/62/604224762.db2.gz FJUKALHJDHIJSA-HBNTYKKESA-N -1 1 362.336 3.044 20 30 FGEDMM C#CCOc1ccccc1CN[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833366740 605180828 /nfs/dbraw/zinc/18/08/28/605180828.db2.gz HJXGNWKDWBOBJO-KRWDZBQOSA-N -1 1 374.234 3.377 20 30 FGEDMM N#Cc1ccc(CN[C@H]2C[C@@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)cc1 ZINC000833971967 605632771 /nfs/dbraw/zinc/63/27/71/605632771.db2.gz QXVBELAXRNNREX-GHTZIAJQSA-N -1 1 363.417 3.294 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(Cl)cc(Cl)c32)o1 ZINC000822424108 606989492 /nfs/dbraw/zinc/98/94/92/606989492.db2.gz RFYQGGWGHMEMEM-UHFFFAOYSA-N -1 1 364.196 3.232 20 30 FGEDMM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400402 608092856 /nfs/dbraw/zinc/09/28/56/608092856.db2.gz YLOJZPMVHOOORM-DUXPYHPUSA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400402 608092857 /nfs/dbraw/zinc/09/28/57/608092857.db2.gz YLOJZPMVHOOORM-DUXPYHPUSA-N -1 1 361.770 3.386 20 30 FGEDMM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824034650 608093488 /nfs/dbraw/zinc/09/34/88/608093488.db2.gz MPBLWWOWEDLJEG-IBHLPDHGSA-N -1 1 351.391 3.115 20 30 FGEDMM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824034650 608093489 /nfs/dbraw/zinc/09/34/89/608093489.db2.gz MPBLWWOWEDLJEG-IBHLPDHGSA-N -1 1 351.391 3.115 20 30 FGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826271850 608403410 /nfs/dbraw/zinc/40/34/10/608403410.db2.gz KFUQCQCNDSBIKH-UHFFFAOYSA-N -1 1 370.376 3.373 20 30 FGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826271850 608403411 /nfs/dbraw/zinc/40/34/11/608403411.db2.gz KFUQCQCNDSBIKH-UHFFFAOYSA-N -1 1 370.376 3.373 20 30 FGEDMM Cc1cc2ccc(Cl)cc2[nH]c1=NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000826273057 609419224 /nfs/dbraw/zinc/41/92/24/609419224.db2.gz NWVAAYRSMHVIAI-UHFFFAOYSA-N -1 1 353.773 3.416 20 30 FGEDMM CCc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000825693891 609468537 /nfs/dbraw/zinc/46/85/37/609468537.db2.gz HBUXEUISKFFVGD-UHFFFAOYSA-N -1 1 361.203 3.231 20 30 FGEDMM CCc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000825693891 609468538 /nfs/dbraw/zinc/46/85/38/609468538.db2.gz HBUXEUISKFFVGD-UHFFFAOYSA-N -1 1 361.203 3.231 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C)C#N)cc2)cc1C ZINC000021741796 695647697 /nfs/dbraw/zinc/64/76/97/695647697.db2.gz AEGHIYQCGUACGA-CQSZACIVSA-N -1 1 358.419 3.173 20 30 FGEDMM C=C(C)CNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000036845560 695753931 /nfs/dbraw/zinc/75/39/31/695753931.db2.gz VKTKFLNNEVAYJG-UHFFFAOYSA-N -1 1 361.492 3.350 20 30 FGEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1 ZINC000091127328 700414542 /nfs/dbraw/zinc/41/45/42/700414542.db2.gz SRUWUPONZHCSEF-UHFFFAOYSA-N -1 1 359.407 3.044 20 30 FGEDMM COc1c(Cl)cc(Cl)cc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000120831464 700660689 /nfs/dbraw/zinc/66/06/89/700660689.db2.gz NJBWVHIVVUOZLP-RDFMZFSFSA-N -1 1 355.173 3.230 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000122681014 700693940 /nfs/dbraw/zinc/69/39/40/700693940.db2.gz FCIYFCQYXZVMNT-OAHLLOKOSA-N -1 1 362.382 3.085 20 30 FGEDMM O=C(/C=C/c1cnc2ccc(Br)cn12)c1cc(O)ccc1[O-] ZINC000156646497 705126207 /nfs/dbraw/zinc/12/62/07/705126207.db2.gz KMRNTOSBCNYETJ-DUXPYHPUSA-N -1 1 359.179 3.404 20 30 FGEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])c(Br)cc1O ZINC000156663909 705126748 /nfs/dbraw/zinc/12/67/48/705126748.db2.gz HPYUTHXHBARGFA-DUXPYHPUSA-N -1 1 365.179 3.471 20 30 FGEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1Cl ZINC000156751916 705130184 /nfs/dbraw/zinc/13/01/84/705130184.db2.gz CQPUFNWLMWABNB-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C#CCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000161054491 705267394 /nfs/dbraw/zinc/26/73/94/705267394.db2.gz OJZNRNGJBUEXMA-UHFFFAOYSA-N -1 1 368.655 3.323 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2Cl)c(=O)o1 ZINC000172814232 705430603 /nfs/dbraw/zinc/43/06/03/705430603.db2.gz FMEVYXDFHSZOLA-KQIUPUNMSA-N -1 1 369.598 3.331 20 30 FGEDMM C#CCCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184148805 705919942 /nfs/dbraw/zinc/91/99/42/705919942.db2.gz AFQFGFVYEVWLPS-UHFFFAOYSA-N -1 1 357.435 3.022 20 30 FGEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000617362685 714649674 /nfs/dbraw/zinc/64/96/74/714649674.db2.gz OLJLLPSGAZSWOQ-SECBINFHSA-N -1 1 359.411 3.121 20 30 FGEDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000754256429 722932701 /nfs/dbraw/zinc/93/27/01/722932701.db2.gz IDVBCNPWLSZVBC-UHFFFAOYSA-N -1 1 367.224 3.136 20 30 FGEDMM COC(=O)c1ccc([O-])c(C=NNCc2ccc(Br)cc2)c1 ZINC000726742012 722437485 /nfs/dbraw/zinc/43/74/85/722437485.db2.gz YKUNZQWUIUCTCJ-UHFFFAOYSA-N -1 1 363.211 3.065 20 30 FGEDMM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1[O-] ZINC000727778325 722447307 /nfs/dbraw/zinc/44/73/07/722447307.db2.gz CPRXCNLKRNBAPG-UHFFFAOYSA-N -1 1 358.341 3.364 20 30 FGEDMM C=C(Cl)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000736240329 722522398 /nfs/dbraw/zinc/52/23/98/722522398.db2.gz LMFWGEVLVQNQFD-UHFFFAOYSA-N -1 1 368.817 3.109 20 30 FGEDMM C[C@H](Oc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1)C(=O)[O-] ZINC000746679407 722614393 /nfs/dbraw/zinc/61/43/93/722614393.db2.gz QYBFINUIJMLNEP-JTQLQIEISA-N -1 1 353.300 3.398 20 30 FGEDMM COc1ccc(CNC(=S)NN=C(C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757460432 722976484 /nfs/dbraw/zinc/97/64/84/722976484.db2.gz VLCGNCVBJDBMFD-UHFFFAOYSA-N -1 1 365.405 3.067 20 30 FGEDMM C#CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000765393413 723510096 /nfs/dbraw/zinc/51/00/96/723510096.db2.gz QMNKUVWAZVGVPD-UHFFFAOYSA-N -1 1 363.822 3.321 20 30 FGEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000766548447 723580215 /nfs/dbraw/zinc/58/02/15/723580215.db2.gz PSUKNGMOAVOAGB-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1C#N ZINC000766549534 723580466 /nfs/dbraw/zinc/58/04/66/723580466.db2.gz XXSCWAGBYYSJMJ-UHFFFAOYSA-N -1 1 359.426 3.407 20 30 FGEDMM COc1cc(C#N)ccc1COC(=O)c1ccc(Br)c([O-])c1 ZINC000778830363 724366525 /nfs/dbraw/zinc/36/65/25/724366525.db2.gz ZHPYBMHLEADXMR-UHFFFAOYSA-N -1 1 362.179 3.392 20 30 FGEDMM C=CCCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000805218827 725056945 /nfs/dbraw/zinc/05/69/45/725056945.db2.gz MOCVXQYTACFZLX-UHFFFAOYSA-N -1 1 356.488 3.223 20 30 FGEDMM CCCC1N=NC(=S)N1N=Cc1cc(C)cc(Br)c1[O-] ZINC000808009263 725179509 /nfs/dbraw/zinc/17/95/09/725179509.db2.gz WVOPUUZWEKUNMC-UHFFFAOYSA-N -1 1 355.261 3.178 20 30 FGEDMM C=CCC(C)(C)CNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000814461325 726970589 /nfs/dbraw/zinc/97/05/89/726970589.db2.gz MHBXCRNFFVGXMK-AVGNSLFASA-N -1 1 363.424 3.076 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)cc2Cl)o1 ZINC000819965604 728958082 /nfs/dbraw/zinc/95/80/82/728958082.db2.gz JKWQBUZIBUZQBF-UHFFFAOYSA-N -1 1 363.784 3.391 20 30 FGEDMM N#CC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000822851286 729224952 /nfs/dbraw/zinc/22/49/52/729224952.db2.gz DABRURLUUQDLCF-UHFFFAOYSA-N -1 1 366.259 3.428 20 30 FGEDMM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc(C2CC2)cs1 ZINC000842940185 730560268 /nfs/dbraw/zinc/56/02/68/730560268.db2.gz YOSZDHSACBUJFZ-AWEZNQCLSA-N -1 1 353.403 3.467 20 30 FGEDMM C#CC[C@@H]1CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000862574836 732851601 /nfs/dbraw/zinc/85/16/01/732851601.db2.gz PTXZUNDXFOAULN-LLVKDONJSA-N -1 1 359.223 3.188 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cn(C2CC2)cn1 ZINC000872337463 735616251 /nfs/dbraw/zinc/61/62/51/735616251.db2.gz AHCXROMJDDAUQZ-UHFFFAOYSA-N -1 1 356.480 3.273 20 30 FGEDMM N#Cc1ccc([C@H]2CN(C(=O)Cc3ccc([O-])c(Cl)c3)CCO2)cc1 ZINC000887739478 739419583 /nfs/dbraw/zinc/41/95/83/739419583.db2.gz VXMKLLTYXKABNQ-GOSISDBHSA-N -1 1 356.809 3.060 20 30 FGEDMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)cc2O1 ZINC000901602037 743597173 /nfs/dbraw/zinc/59/71/73/743597173.db2.gz LBSRNIDKPJCPPE-UHFFFAOYSA-N -1 1 358.419 3.451 20 30 FGEDMM N#CCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1 ZINC000901739929 743629561 /nfs/dbraw/zinc/62/95/61/743629561.db2.gz GMPLZDNZRUEJCO-UHFFFAOYSA-N -1 1 354.431 3.463 20 30 FGEDMM Oc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1O ZINC000916368784 758074854 /nfs/dbraw/zinc/07/48/54/758074854.db2.gz NIZAECUHBMWXQB-UHFFFAOYSA-N -1 1 358.448 3.153 20 30 FGEDMM CN(C)C(=O)COc1cccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c1 ZINC000921270656 758679752 /nfs/dbraw/zinc/67/97/52/758679752.db2.gz WRBZBGMGVBYOLR-VURMDHGXSA-N -1 1 359.809 3.409 20 30 FGEDMM C=CCSc1ccccc1NC(=O)CN1CCC[C@](CC)(C(=O)[O-])C1 ZINC000923466984 759122892 /nfs/dbraw/zinc/12/28/92/759122892.db2.gz HWGBHXZPBJUPST-IBGZPJMESA-N -1 1 362.495 3.480 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCC)c2)c1 ZINC000055587349 210068409 /nfs/dbraw/zinc/06/84/09/210068409.db2.gz XAQRNICRLCPSTG-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000088084318 494211411 /nfs/dbraw/zinc/21/14/11/494211411.db2.gz WAPGSDQOLWBUKK-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc(-c2ccccc2)cs1 ZINC000051533385 493974553 /nfs/dbraw/zinc/97/45/53/493974553.db2.gz WIBTYYSRLFMISP-INIZCTEOSA-N -1 1 372.413 3.276 20 30 FGEDMM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000041545891 494167239 /nfs/dbraw/zinc/16/72/39/494167239.db2.gz SYLPRIKAKGNRBF-LBPRGKRZSA-N -1 1 352.346 3.344 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000066587651 494360526 /nfs/dbraw/zinc/36/05/26/494360526.db2.gz ZYWQOCCSVZDAML-UHFFFAOYSA-N -1 1 372.450 3.032 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nc(-c2ccncc2)cs1 ZINC000115909113 494661881 /nfs/dbraw/zinc/66/18/81/494661881.db2.gz OUBFVWMEIWIOHO-INIZCTEOSA-N -1 1 372.413 3.276 20 30 FGEDMM CCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]n1 ZINC000126520190 494777639 /nfs/dbraw/zinc/77/76/39/494777639.db2.gz XDHHYEGRVYJLBA-UHFFFAOYSA-N -1 1 358.345 3.053 20 30 FGEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1C ZINC000108759440 494780879 /nfs/dbraw/zinc/78/08/79/494780879.db2.gz RBKWSRRLSKQMMH-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)ccc1Cl ZINC000135962030 495346157 /nfs/dbraw/zinc/34/61/57/495346157.db2.gz QSJQCNPHVIRYFI-UHFFFAOYSA-N -1 1 360.782 3.062 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120324782 495351789 /nfs/dbraw/zinc/35/17/89/495351789.db2.gz DHEKTURVWBSBTI-UHFFFAOYSA-N -1 1 370.308 3.076 20 30 FGEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673607 495407339 /nfs/dbraw/zinc/40/73/39/495407339.db2.gz OZVPLUKIRXUXHO-UHFFFAOYSA-N -1 1 374.462 3.221 20 30 FGEDMM C=C(C)[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000185508054 495604020 /nfs/dbraw/zinc/60/40/20/495604020.db2.gz UIXKAUAOXLFEPQ-MRXNPFEDSA-N -1 1 355.344 3.249 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)[nH]n1 ZINC000185629313 495652754 /nfs/dbraw/zinc/65/27/54/495652754.db2.gz MWXFAOALNPVDPT-UHFFFAOYSA-N -1 1 374.466 3.214 20 30 FGEDMM N#C[C@H](C(=O)Nc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155672075 496031211 /nfs/dbraw/zinc/03/12/11/496031211.db2.gz UOZKMQWJVFDFIO-ZDUSSCGKSA-N -1 1 364.430 3.109 20 30 FGEDMM C=C(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000161101204 496104059 /nfs/dbraw/zinc/10/40/59/496104059.db2.gz KXUXHUMJRRVPLC-UHFFFAOYSA-N -1 1 364.854 3.447 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1Cl ZINC000161186766 496122792 /nfs/dbraw/zinc/12/27/92/496122792.db2.gz LMUHCXCABISMPQ-UHFFFAOYSA-N -1 1 354.790 3.361 20 30 FGEDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172590850 496356380 /nfs/dbraw/zinc/35/63/80/496356380.db2.gz BQGLFQKXQAUCBL-UHFFFAOYSA-N -1 1 371.462 3.114 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000175915314 496600906 /nfs/dbraw/zinc/60/09/06/496600906.db2.gz ZZZSCOIQVWFLPS-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000175970291 496623730 /nfs/dbraw/zinc/62/37/30/496623730.db2.gz QHMWPEYYGHBOQE-UHFFFAOYSA-N -1 1 368.418 3.280 20 30 FGEDMM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000187957422 496632256 /nfs/dbraw/zinc/63/22/56/496632256.db2.gz ZQOCVKKZVXNDRI-CQSZACIVSA-N -1 1 369.852 3.482 20 30 FGEDMM C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188272093 496736909 /nfs/dbraw/zinc/73/69/09/496736909.db2.gz YPFBLVABFKBVQZ-ZDUSSCGKSA-N -1 1 371.387 3.061 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000264058453 496802500 /nfs/dbraw/zinc/80/25/00/496802500.db2.gz KXQXAKNCKSOSRD-OAHLLOKOSA-N -1 1 371.462 3.170 20 30 FGEDMM C=CCOc1ccc(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)cc1 ZINC000274084952 497010766 /nfs/dbraw/zinc/01/07/66/497010766.db2.gz SXLKBEPDIYDJKG-UHFFFAOYSA-N -1 1 374.462 3.453 20 30 FGEDMM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000190458856 497487439 /nfs/dbraw/zinc/48/74/39/497487439.db2.gz UTDHHFXZCOWCAQ-UHFFFAOYSA-N -1 1 360.417 3.121 20 30 FGEDMM Cc1cnc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[n-]c1=O ZINC000572257932 505927400 /nfs/dbraw/zinc/92/74/00/505927400.db2.gz FDCJDUMFMJXCEA-GFCCVEGCSA-N -1 1 360.414 3.057 20 30 FGEDMM C#CCCCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000301632437 498198907 /nfs/dbraw/zinc/19/89/07/498198907.db2.gz JOQFIABMHRJYPO-UHFFFAOYSA-N -1 1 365.405 3.376 20 30 FGEDMM Cc1ccc(-c2cnc(C[N-]S(=O)(=O)c3ccc(C#N)s3)o2)cc1 ZINC000375634974 499540016 /nfs/dbraw/zinc/54/00/16/499540016.db2.gz MYOHRHMIEXHFLC-UHFFFAOYSA-N -1 1 359.432 3.062 20 30 FGEDMM Cc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1C(=O)[O-] ZINC000391041352 499556586 /nfs/dbraw/zinc/55/65/86/499556586.db2.gz CABDUAJYOWAERK-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM C[C@H]1c2c(C#N)c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2CC[C@@H]1C ZINC000410985085 499688662 /nfs/dbraw/zinc/68/86/62/499688662.db2.gz MTJOXSGUXRQRFM-DTWKUNHWSA-N -1 1 359.411 3.200 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000412893366 499894190 /nfs/dbraw/zinc/89/41/90/499894190.db2.gz AEHNRAFDTWKHQU-CQSZACIVSA-N -1 1 358.438 3.238 20 30 FGEDMM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(C#N)cc1F)C(=O)[O-] ZINC000417595799 500120524 /nfs/dbraw/zinc/12/05/24/500120524.db2.gz YKZVZHWEHPKSEU-HXUWFJFHSA-N -1 1 354.381 3.112 20 30 FGEDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(F)c2)c1OC ZINC000421811960 500156860 /nfs/dbraw/zinc/15/68/60/500156860.db2.gz AVSICWPOQDXLHO-MRXNPFEDSA-N -1 1 358.369 3.020 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000416938608 500162141 /nfs/dbraw/zinc/16/21/41/500162141.db2.gz LGGVUAWPFKFHKZ-MRXNPFEDSA-N -1 1 374.418 3.038 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[O-] ZINC000442859314 500635710 /nfs/dbraw/zinc/63/57/10/500635710.db2.gz UQYYZVRAEZHPSQ-UHFFFAOYSA-N -1 1 359.385 3.168 20 30 FGEDMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccn1 ZINC000442984670 500659118 /nfs/dbraw/zinc/65/91/18/500659118.db2.gz UJZZQOQJYMFYOY-CQSZACIVSA-N -1 1 353.422 3.402 20 30 FGEDMM Cn1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(Cl)cc2)n1 ZINC000443141207 500686601 /nfs/dbraw/zinc/68/66/01/500686601.db2.gz ZFUVVRLXCWDONY-SFHVURJKSA-N -1 1 366.808 3.170 20 30 FGEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccc4cc3[O-])C2)nc1 ZINC000436867839 501224327 /nfs/dbraw/zinc/22/43/27/501224327.db2.gz FCAGHRZFVJDJRV-KRWDZBQOSA-N -1 1 359.385 3.106 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC000592828393 506267739 /nfs/dbraw/zinc/26/77/39/506267739.db2.gz OMZZMIAQGAXESM-FQEVSTJZSA-N -1 1 350.418 3.067 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2c[nH]nc2-c2c(F)cccc2F)nc(C)n1 ZINC000464501669 502008283 /nfs/dbraw/zinc/00/82/83/502008283.db2.gz IKYLUMSKENQTSW-LLVKDONJSA-N -1 1 353.332 3.252 20 30 FGEDMM N#Cc1cccc(COc2cccc(/C=C/c3cc(=O)n4[n-]cnc4n3)c2)c1 ZINC000486129765 502056529 /nfs/dbraw/zinc/05/65/29/502056529.db2.gz ZBGORMKHSDAFEE-BQYQJAHWSA-N -1 1 369.384 3.039 20 30 FGEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471612875 502087902 /nfs/dbraw/zinc/08/79/02/502087902.db2.gz HIBLOAGMWNAQGX-ZETCQYMHSA-N -1 1 356.644 3.485 20 30 FGEDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2o1 ZINC000475786120 502291349 /nfs/dbraw/zinc/29/13/49/502291349.db2.gz KWHZLUDOUNCPED-UHFFFAOYSA-N -1 1 370.386 3.086 20 30 FGEDMM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)o1 ZINC000475787148 502291941 /nfs/dbraw/zinc/29/19/41/502291941.db2.gz FMKNAEHQLVNFRE-UHFFFAOYSA-N -1 1 368.418 3.166 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cc1 ZINC000475797977 502293956 /nfs/dbraw/zinc/29/39/56/502293956.db2.gz NIPJMFOPCSFXTF-UHFFFAOYSA-N -1 1 373.331 3.472 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000475812941 502298897 /nfs/dbraw/zinc/29/88/97/502298897.db2.gz NRJPZMMTJQKBGD-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM CC(C)(C#N)CC(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000487536945 502471206 /nfs/dbraw/zinc/47/12/06/502471206.db2.gz ATEAARIIGHSFCA-UHFFFAOYSA-N -1 1 353.245 3.201 20 30 FGEDMM CC[C@](C)(C#N)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000509250582 502859339 /nfs/dbraw/zinc/85/93/39/502859339.db2.gz XUUPENLDTVTKJU-LJQANCHMSA-N -1 1 371.462 3.043 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1OCC ZINC000509373207 502885878 /nfs/dbraw/zinc/88/58/78/502885878.db2.gz CZDROOHFIDRHBW-UHFFFAOYSA-N -1 1 360.435 3.351 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509398076 502892234 /nfs/dbraw/zinc/89/22/34/502892234.db2.gz ZLYHWEOTRQEUIH-UHFFFAOYSA-N -1 1 372.324 3.108 20 30 FGEDMM CN(C)c1cc(C#N)cc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c1 ZINC000490540097 503192387 /nfs/dbraw/zinc/19/23/87/503192387.db2.gz GYHUBSWOYQIJSV-UHFFFAOYSA-N -1 1 371.853 3.403 20 30 FGEDMM CC#CCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000546928996 503929263 /nfs/dbraw/zinc/92/92/63/503929263.db2.gz YKNIXLSBBYBENE-UHFFFAOYSA-N -1 1 357.435 3.022 20 30 FGEDMM CC[C@@](NC(=O)c1ccc(C#N)c([O-])c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000553481415 504927216 /nfs/dbraw/zinc/92/72/16/504927216.db2.gz NFQNBCWEWIWWSH-IBGZPJMESA-N -1 1 372.808 3.126 20 30 FGEDMM Cc1nnnn1-c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000563242200 505085530 /nfs/dbraw/zinc/08/55/30/505085530.db2.gz NKCWAEJBPWAPDX-CQSZACIVSA-N -1 1 352.423 3.041 20 30 FGEDMM CCc1[nH]nc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)c1C ZINC000554363262 505154253 /nfs/dbraw/zinc/15/42/53/505154253.db2.gz DJAONMCLEQYCHG-UHFFFAOYSA-N -1 1 366.450 3.265 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCOc2ccc3ccccc3c2)o1 ZINC000561519061 505366161 /nfs/dbraw/zinc/36/61/61/505366161.db2.gz GRAGCUNVYNUBEK-UHFFFAOYSA-N -1 1 356.403 3.052 20 30 FGEDMM N#CC1(c2ccccn2)CCN(C(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000603052328 506400001 /nfs/dbraw/zinc/40/00/01/506400001.db2.gz RSESZFCCHNZIGM-UHFFFAOYSA-N -1 1 363.446 3.202 20 30 FGEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593188958 506452213 /nfs/dbraw/zinc/45/22/13/506452213.db2.gz GAMCXFQJWUDABZ-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)nn1-c1ccccc1Cl ZINC000589196458 506479765 /nfs/dbraw/zinc/47/97/65/506479765.db2.gz CZIZXIBRUCAWRF-UHFFFAOYSA-N -1 1 352.781 3.086 20 30 FGEDMM CCOCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCc2ccccc21 ZINC000600447449 506959166 /nfs/dbraw/zinc/95/91/66/506959166.db2.gz PKNFJMGBEOHQOW-IBGZPJMESA-N -1 1 350.418 3.430 20 30 FGEDMM Cc1c[nH]cc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000613289757 507013327 /nfs/dbraw/zinc/01/33/27/507013327.db2.gz NYJQMRQPATWRKO-LLVKDONJSA-N -1 1 352.419 3.402 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)c1 ZINC000590880223 507014942 /nfs/dbraw/zinc/01/49/42/507014942.db2.gz DTYBSOJMCBETFO-UHFFFAOYSA-N -1 1 369.446 3.258 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)[C@@H](C)CC(=O)N2C ZINC000600665493 507054472 /nfs/dbraw/zinc/05/44/72/507054472.db2.gz TWURKMWKRPKTGK-ZDUSSCGKSA-N -1 1 369.446 3.138 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1Cl ZINC000610123149 507106809 /nfs/dbraw/zinc/10/68/09/507106809.db2.gz KNBNOEFEKWLUOG-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594399060 507112877 /nfs/dbraw/zinc/11/28/77/507112877.db2.gz KWJOZRSSDVTSMQ-AFAVFJNCSA-N -1 1 372.465 3.386 20 30 FGEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)[nH]n1 ZINC000610317390 507190413 /nfs/dbraw/zinc/19/04/13/507190413.db2.gz QINPBGWDHAPHSC-UHFFFAOYSA-N -1 1 372.372 3.398 20 30 FGEDMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296569 507444518 /nfs/dbraw/zinc/44/45/18/507444518.db2.gz ITTLKIYHRGPKKV-CYBMUJFWSA-N -1 1 351.406 3.178 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)ccc1C#N ZINC000584699961 507457397 /nfs/dbraw/zinc/45/73/97/507457397.db2.gz QTXDUYZUHNTQLB-UHFFFAOYSA-N -1 1 366.446 3.432 20 30 FGEDMM C=CCN(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccccc1 ZINC000647741758 568277674 /nfs/dbraw/zinc/27/76/74/568277674.db2.gz HIMCMLAKRBVEGE-UHFFFAOYSA-N -1 1 360.417 3.314 20 30 FGEDMM C[C@H](CC#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735974123 598858131 /nfs/dbraw/zinc/85/81/31/598858131.db2.gz JIGCDGFTSZONPN-LLVKDONJSA-N -1 1 367.340 3.257 20 30 FGEDMM C[C@H](CC#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735974123 598858132 /nfs/dbraw/zinc/85/81/32/598858132.db2.gz JIGCDGFTSZONPN-LLVKDONJSA-N -1 1 367.340 3.257 20 30 FGEDMM C=C(Cl)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735402096 598889866 /nfs/dbraw/zinc/88/98/66/598889866.db2.gz HVMNBMCCEYODGL-UHFFFAOYSA-N -1 1 374.857 3.147 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(SC(F)F)cc2)o1 ZINC000735450651 599191593 /nfs/dbraw/zinc/19/15/93/599191593.db2.gz BYLNLAMIPAWOMA-UHFFFAOYSA-N -1 1 365.369 3.314 20 30 FGEDMM CCn1c(C)cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1C ZINC000736720643 598607723 /nfs/dbraw/zinc/60/77/23/598607723.db2.gz VTOYRMAVWFFZNL-UHFFFAOYSA-N -1 1 356.434 3.036 20 30 FGEDMM COc1cc([N+](=O)[O-])ccc1NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000737905142 600181414 /nfs/dbraw/zinc/18/14/14/600181414.db2.gz FSHGJUWRHBYRSV-UHFFFAOYSA-N -1 1 354.322 3.229 20 30 FGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000739106848 600563100 /nfs/dbraw/zinc/56/31/00/600563100.db2.gz UHFJIXDTMBHJPZ-IBGZPJMESA-N -1 1 369.852 3.155 20 30 FGEDMM N#Cc1ccc([C@H](NCc2cc(Br)ccc2F)C(=O)[O-])cc1 ZINC000739107602 600594176 /nfs/dbraw/zinc/59/41/76/600594176.db2.gz SAQQJWPZIXQFIV-HNNXBMFYSA-N -1 1 363.186 3.375 20 30 FGEDMM N#Cc1cccc([C@H](NCc2cccc(NC(=O)C3CCC3)c2)C(=O)[O-])c1 ZINC000833076624 601300137 /nfs/dbraw/zinc/30/01/37/601300137.db2.gz XMGQSXXZFVICSN-IBGZPJMESA-N -1 1 363.417 3.212 20 30 FGEDMM CC[C@H](C)NC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828757924 601300817 /nfs/dbraw/zinc/30/08/17/601300817.db2.gz FAWMPJYWNXBSPO-LIRRHRJNSA-N -1 1 365.433 3.002 20 30 FGEDMM CC[C@@H](/N=C\c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000818261497 601498821 /nfs/dbraw/zinc/49/88/21/601498821.db2.gz LGWVCUCTXPDCLU-YZJXFOOCSA-N -1 1 365.021 3.199 20 30 FGEDMM C=CCOc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1OC ZINC000833377554 604868165 /nfs/dbraw/zinc/86/81/65/604868165.db2.gz BHDQSJPNZBUEBT-UHFFFAOYSA-N -1 1 367.361 3.087 20 30 FGEDMM CC(C)CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C#N)cc1 ZINC000820081584 606504867 /nfs/dbraw/zinc/50/48/67/606504867.db2.gz LYQRJNQLUSSXBR-UHFFFAOYSA-N -1 1 352.423 3.103 20 30 FGEDMM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C#N)cc1 ZINC000820081584 606504868 /nfs/dbraw/zinc/50/48/68/606504868.db2.gz LYQRJNQLUSSXBR-UHFFFAOYSA-N -1 1 352.423 3.103 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C)[nH]c3ccc(Cl)cc32)o1 ZINC000826322964 607783561 /nfs/dbraw/zinc/78/35/61/607783561.db2.gz JLTKNHMDZYBLSN-UHFFFAOYSA-N -1 1 356.777 3.052 20 30 FGEDMM CC(C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)=Cc1ccc(Cl)cc1 ZINC000824384550 607807676 /nfs/dbraw/zinc/80/76/76/607807676.db2.gz DNICIWJXYWPXAS-FVAQEYPFSA-N -1 1 368.828 3.236 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000824141592 607887463 /nfs/dbraw/zinc/88/74/63/607887463.db2.gz KSEUCQQTGSYMBS-STQMWFEESA-N -1 1 351.414 3.354 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCCCC#N)c2)c1 ZINC000044922429 695813968 /nfs/dbraw/zinc/81/39/68/695813968.db2.gz VBXMBOOYUWYHSY-UHFFFAOYSA-N -1 1 358.419 3.256 20 30 FGEDMM CC(=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000048818145 695889773 /nfs/dbraw/zinc/88/97/73/695889773.db2.gz LRTVYAICAWGFHR-FROQITRMSA-N -1 1 353.447 3.396 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)ccc1Cl ZINC000121106542 700666061 /nfs/dbraw/zinc/66/60/61/700666061.db2.gz VRROLEXYOMXILI-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM N#CCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000124537443 700721343 /nfs/dbraw/zinc/72/13/43/700721343.db2.gz QNKJSQXVWJEBMT-AWEZNQCLSA-N -1 1 363.370 3.057 20 30 FGEDMM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000175106558 705533186 /nfs/dbraw/zinc/53/31/86/705533186.db2.gz OSYPKMROUKIPQK-OCCSQVGLSA-N -1 1 357.435 3.429 20 30 FGEDMM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000175106576 705533381 /nfs/dbraw/zinc/53/33/81/705533381.db2.gz OSYPKMROUKIPQK-TZMCWYRMSA-N -1 1 357.435 3.429 20 30 FGEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c(Cl)c1 ZINC000618254001 714729037 /nfs/dbraw/zinc/72/90/37/714729037.db2.gz WIYLBTURALJFDX-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc21 ZINC000619462350 714838893 /nfs/dbraw/zinc/83/88/93/714838893.db2.gz IVIAQNOOYCRWHQ-UHFFFAOYSA-N -1 1 354.435 3.484 20 30 FGEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1-n1cnnn1 ZINC000673814299 721673500 /nfs/dbraw/zinc/67/35/00/721673500.db2.gz LOLBYRYTNPAZFO-CYBMUJFWSA-N -1 1 352.423 3.041 20 30 FGEDMM [O-]c1ccc(CN=Nc2nc(Br)cn3ccnc23)cc1Cl ZINC000749863177 722745263 /nfs/dbraw/zinc/74/52/63/722745263.db2.gz POJHEFMKVMJJAE-UHFFFAOYSA-N -1 1 366.606 3.297 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1C#N ZINC000751549532 722812843 /nfs/dbraw/zinc/81/28/43/722812843.db2.gz YIOYCRXVRMZGQP-UHFFFAOYSA-N -1 1 359.407 3.236 20 30 FGEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C#N ZINC000751548320 722812854 /nfs/dbraw/zinc/81/28/54/722812854.db2.gz KWGHXLMKZJLVSY-UHFFFAOYSA-N -1 1 363.370 3.067 20 30 FGEDMM C=CCN(CCOC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000791356746 723234043 /nfs/dbraw/zinc/23/40/43/723234043.db2.gz MSWJRWYESCTMKL-UHFFFAOYSA-N -1 1 350.415 3.014 20 30 FGEDMM CC(N=Nc1ccccc1S(=O)(=O)N(C)C)c1ccc([O-])c(Cl)c1 ZINC000793192571 723409707 /nfs/dbraw/zinc/40/97/07/723409707.db2.gz CKGAPIMBDWRZDO-UHFFFAOYSA-N -1 1 367.858 3.132 20 30 FGEDMM CC(CCc1ccc(Cl)s1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000764681387 723436859 /nfs/dbraw/zinc/43/68/59/723436859.db2.gz CBWXMKKUJFEPAG-UHFFFAOYSA-N -1 1 367.883 3.449 20 30 FGEDMM CC(C)[C@@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000794502491 723528420 /nfs/dbraw/zinc/52/84/20/723528420.db2.gz PTSQCLRHKWIIFU-CQSZACIVSA-N -1 1 353.444 3.216 20 30 FGEDMM N#CCc1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765729227 723535795 /nfs/dbraw/zinc/53/57/95/723535795.db2.gz ZLYNJFDBCVTLMD-UHFFFAOYSA-N -1 1 359.223 3.080 20 30 FGEDMM CC(=NNS(=O)(=O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765992601 723550642 /nfs/dbraw/zinc/55/06/42/723550642.db2.gz LZJGAOWRNSOREU-UHFFFAOYSA-N -1 1 359.234 3.402 20 30 FGEDMM N#C[C@H](C(=O)CCC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000796627791 723647400 /nfs/dbraw/zinc/64/74/00/723647400.db2.gz DTURYPWQCKYLID-SECBINFHSA-N -1 1 351.378 3.497 20 30 FGEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000777994453 724280750 /nfs/dbraw/zinc/28/07/50/724280750.db2.gz FECYTIQTGASSOA-UHFFFAOYSA-N -1 1 373.261 3.432 20 30 FGEDMM C=CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccncc1 ZINC000778000551 724281736 /nfs/dbraw/zinc/28/17/36/724281736.db2.gz PZEYWPXLENLKHI-LBPRGKRZSA-N -1 1 358.250 3.379 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(F)cc1 ZINC000812526341 725399274 /nfs/dbraw/zinc/39/92/74/725399274.db2.gz ZVYJHHYKITYKHY-LBPRGKRZSA-N -1 1 359.209 3.180 20 30 FGEDMM Cc1nc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)sc1SCC#N ZINC000813432972 726875466 /nfs/dbraw/zinc/87/54/66/726875466.db2.gz YZVZICRSWZQSKY-UHFFFAOYSA-N -1 1 363.468 3.247 20 30 FGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000821177335 729066190 /nfs/dbraw/zinc/06/61/90/729066190.db2.gz ATLBBIPNRCWCMH-UHFFFAOYSA-N -1 1 370.402 3.477 20 30 FGEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826400520 729407896 /nfs/dbraw/zinc/40/78/96/729407896.db2.gz ASWFWWPQKNTZGY-DUXPYHPUSA-N -1 1 361.770 3.386 20 30 FGEDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826400520 729407897 /nfs/dbraw/zinc/40/78/97/729407897.db2.gz ASWFWWPQKNTZGY-DUXPYHPUSA-N -1 1 361.770 3.386 20 30 FGEDMM C#CCO[C@@H](C)c1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000834408491 729801260 /nfs/dbraw/zinc/80/12/60/729801260.db2.gz KHTKEOWPCHIFFZ-VIFPVBQESA-N -1 1 367.199 3.314 20 30 FGEDMM N#CC1(CC(=O)Nc2c([O-])cc(Br)cc2Cl)CCOCC1 ZINC000854432578 731828241 /nfs/dbraw/zinc/82/82/41/731828241.db2.gz QLKCSIVZURFBAC-UHFFFAOYSA-N -1 1 373.634 3.457 20 30 FGEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000882712925 737481484 /nfs/dbraw/zinc/48/14/84/737481484.db2.gz SNWWUBKEQMYPGL-MRAWALMUSA-N -1 1 360.410 3.414 20 30 FGEDMM C=CCN(CC(=O)[O-])C(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC000908748092 744314488 /nfs/dbraw/zinc/31/44/88/744314488.db2.gz AVXDZDLVIVOQEJ-MRXNPFEDSA-N -1 1 367.877 3.005 20 30 FGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C ZINC000917734915 758262941 /nfs/dbraw/zinc/26/29/41/758262941.db2.gz MIOAIGMPDHCOQW-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(Cl)c2)C1=O ZINC000921259017 758677345 /nfs/dbraw/zinc/67/73/45/758677345.db2.gz UJZIGTVWSMBRJP-GOSISDBHSA-N -1 1 357.797 3.237 20 30 FGEDMM CSc1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C#N ZINC000923981094 759229126 /nfs/dbraw/zinc/22/91/26/759229126.db2.gz GHMXINHEJXCMCH-UHFFFAOYSA-N -1 1 356.451 3.138 20 30 FGEDMM N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)nc1 ZINC000928716612 760245523 /nfs/dbraw/zinc/24/55/23/760245523.db2.gz JDSWWOWCINILHW-CQSZACIVSA-N -1 1 356.813 3.029 20 30 FGEDMM COC(=O)C(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000568259001 505654014 /nfs/dbraw/zinc/65/40/14/505654014.db2.gz ZULPJMUDUMXLNE-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c1 ZINC000573995432 505669254 /nfs/dbraw/zinc/66/92/54/505669254.db2.gz IEWHANAJARKWBK-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000010516410 494156411 /nfs/dbraw/zinc/15/64/11/494156411.db2.gz DITKRSYEPSRFLI-UHFFFAOYSA-N -1 1 356.325 3.300 20 30 FGEDMM C=CCc1cc(OC)ccc1OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000054671713 494258873 /nfs/dbraw/zinc/25/88/73/494258873.db2.gz IBUHLADXZSNLHQ-UHFFFAOYSA-N -1 1 374.462 3.076 20 30 FGEDMM CCn1c([C@H]2CCCN(C(=O)C=Cc3cccc(C#N)c3)C2)n[n-]c1=S ZINC000078622330 494332883 /nfs/dbraw/zinc/33/28/83/494332883.db2.gz PMDNWBTYDMNMOJ-FDMDGMSGSA-N -1 1 367.478 3.252 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)ccc1Cl ZINC000055567470 494362563 /nfs/dbraw/zinc/36/25/63/494362563.db2.gz YLAVIHVXPMCDOM-UHFFFAOYSA-N -1 1 364.810 3.174 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1 ZINC000047417162 494702620 /nfs/dbraw/zinc/70/26/20/494702620.db2.gz UCFASYGALOXZQN-UHFFFAOYSA-N -1 1 374.472 3.362 20 30 FGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000080577656 494737155 /nfs/dbraw/zinc/73/71/55/494737155.db2.gz GQJPKZCZWJDSCA-UHFFFAOYSA-N -1 1 368.437 3.311 20 30 FGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C(C)C ZINC000116710145 494841736 /nfs/dbraw/zinc/84/17/36/494841736.db2.gz NXLCGORAPBEYKC-UHFFFAOYSA-N -1 1 371.462 3.116 20 30 FGEDMM CCC[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094079644 494946816 /nfs/dbraw/zinc/94/68/16/494946816.db2.gz DTZRNSZBNGCTPQ-HNNXBMFYSA-N -1 1 373.359 3.345 20 30 FGEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccco1 ZINC000127574504 494964192 /nfs/dbraw/zinc/96/41/92/494964192.db2.gz JREZQVAJLKKFPT-IBGZPJMESA-N -1 1 368.414 3.228 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000102351095 495131197 /nfs/dbraw/zinc/13/11/97/495131197.db2.gz HBEKRIDVYANRBR-INIZCTEOSA-N -1 1 371.462 3.136 20 30 FGEDMM C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000571570369 505763250 /nfs/dbraw/zinc/76/32/50/505763250.db2.gz CHFBYSOXAOLCQE-ZDUSSCGKSA-N -1 1 355.825 3.268 20 30 FGEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000119627575 495205155 /nfs/dbraw/zinc/20/51/55/495205155.db2.gz BKGGFMKYRNEYCR-UHFFFAOYSA-N -1 1 366.826 3.038 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)C3(C#N)CCC3)nc2C)n[n-]c1=S ZINC000134884790 495215374 /nfs/dbraw/zinc/21/53/74/495215374.db2.gz YQZOXAXUUZITBM-UHFFFAOYSA-N -1 1 360.468 3.191 20 30 FGEDMM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000154204977 495543158 /nfs/dbraw/zinc/54/31/58/495543158.db2.gz YDYCILYWZQPEEX-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000171004707 495684471 /nfs/dbraw/zinc/68/44/71/495684471.db2.gz QMEMPGGANWFCFV-MRXNPFEDSA-N -1 1 371.462 3.136 20 30 FGEDMM C=C(C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000183062544 495818772 /nfs/dbraw/zinc/81/87/72/495818772.db2.gz NJLLXVGTSAJDIL-UHFFFAOYSA-N -1 1 358.463 3.444 20 30 FGEDMM C=C(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000161106932 496105535 /nfs/dbraw/zinc/10/55/35/496105535.db2.gz ZLDYJGVFHKRYRY-UHFFFAOYSA-N -1 1 374.462 3.192 20 30 FGEDMM Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C(=O)[O-] ZINC000177990620 496278548 /nfs/dbraw/zinc/27/85/48/496278548.db2.gz QEXCGMKAJYFGES-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172589685 496355267 /nfs/dbraw/zinc/35/52/67/496355267.db2.gz XSLVPMXRTJFIOC-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2[nH]1 ZINC000153126468 496361591 /nfs/dbraw/zinc/36/15/91/496361591.db2.gz QBACGKMLXKBFIU-LBPRGKRZSA-N -1 1 372.344 3.147 20 30 FGEDMM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000184947577 496595819 /nfs/dbraw/zinc/59/58/19/496595819.db2.gz UPPYTTNLQKDHSK-LURJTMIESA-N -1 1 372.071 3.336 20 30 FGEDMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000158192583 496647507 /nfs/dbraw/zinc/64/75/07/496647507.db2.gz YURUKPBXWHFTCN-UHFFFAOYSA-N -1 1 372.446 3.163 20 30 FGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000179027708 496649824 /nfs/dbraw/zinc/64/98/24/496649824.db2.gz PJSODSQLCJZHEX-UHFFFAOYSA-N -1 1 363.398 3.386 20 30 FGEDMM N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188142595 496699886 /nfs/dbraw/zinc/69/98/86/496699886.db2.gz IMUJYDCABQVEAU-UHFFFAOYSA-N -1 1 360.826 3.315 20 30 FGEDMM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000263820730 496733913 /nfs/dbraw/zinc/73/39/13/496733913.db2.gz PVERMUULNOVOSC-INIZCTEOSA-N -1 1 371.462 3.136 20 30 FGEDMM CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000263816431 496734483 /nfs/dbraw/zinc/73/44/83/496734483.db2.gz KZFMKPYQIQIZMG-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1[O-] ZINC000188477341 496802862 /nfs/dbraw/zinc/80/28/62/496802862.db2.gz TWWUZGMPZNLQKW-INIZCTEOSA-N -1 1 352.365 3.138 20 30 FGEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3Br)CC2)cc1[O-] ZINC000188513602 496815882 /nfs/dbraw/zinc/81/58/82/496815882.db2.gz KIHVXCWBIMRPOU-UHFFFAOYSA-N -1 1 371.234 3.488 20 30 FGEDMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000195328255 496890970 /nfs/dbraw/zinc/89/09/70/496890970.db2.gz KICSADYIABQOKV-UHFFFAOYSA-N -1 1 360.826 3.382 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000581094658 505908405 /nfs/dbraw/zinc/90/84/05/505908405.db2.gz GFMYVRWPCHPXEH-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM CC[C@H]1C[C@@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC([O-])=N1 ZINC000329758315 497890954 /nfs/dbraw/zinc/89/09/54/497890954.db2.gz NMNTWBVMJCTVJL-OLZOCXBDSA-N -1 1 354.414 3.408 20 30 FGEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000285144667 498006135 /nfs/dbraw/zinc/00/61/35/498006135.db2.gz RCJBLYWGOKXXDY-LBPRGKRZSA-N -1 1 353.296 3.225 20 30 FGEDMM COc1ccc(NC(=O)NC2CCC(C)(C)CC2)cc1[N-]S(C)(=O)=O ZINC000330995941 498232791 /nfs/dbraw/zinc/23/27/91/498232791.db2.gz WXQREDPKDNDDRL-UHFFFAOYSA-N -1 1 369.487 3.361 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1)C1CC1 ZINC000295154879 498927391 /nfs/dbraw/zinc/92/73/91/498927391.db2.gz CGTDFGNGFXYHMA-UHFFFAOYSA-N -1 1 369.446 3.183 20 30 FGEDMM CC(C)N1CCc2nc(/C=C/c3nc(C(=O)[O-])ccc3C#N)sc2C1 ZINC000371711222 499358184 /nfs/dbraw/zinc/35/81/84/499358184.db2.gz RCVQFCNKXABKFJ-AATRIKPKSA-N -1 1 354.435 3.045 20 30 FGEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000425189931 500040422 /nfs/dbraw/zinc/04/04/22/500040422.db2.gz PCDFHBLMPDHYGY-NKWVEPMBSA-N -1 1 369.693 3.135 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000416934669 500160612 /nfs/dbraw/zinc/16/06/12/500160612.db2.gz DTYABNXKCXVWBL-LJQANCHMSA-N -1 1 358.463 3.490 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COCCOc2ccccc2)c1 ZINC000416933950 500160864 /nfs/dbraw/zinc/16/08/64/500160864.db2.gz CEFQUIMXVGGPSP-LJQANCHMSA-N -1 1 374.462 3.326 20 30 FGEDMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)[C@H](C#N)CC)ccc2s1 ZINC000416949801 500164061 /nfs/dbraw/zinc/16/40/61/500164061.db2.gz QTQBVJGCIHVMLB-LBPRGKRZSA-N -1 1 352.437 3.122 20 30 FGEDMM N#CCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000429981459 500177677 /nfs/dbraw/zinc/17/76/77/500177677.db2.gz YDRDJJUYWQPRKP-UHFFFAOYSA-N -1 1 352.765 3.331 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc(OC)c1C ZINC000431170320 500345225 /nfs/dbraw/zinc/34/52/25/500345225.db2.gz BQUGWHYLALJYOI-UHFFFAOYSA-N -1 1 366.826 3.338 20 30 FGEDMM C=CCCCS(=O)(=O)[N-]c1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000427747515 500427581 /nfs/dbraw/zinc/42/75/81/500427581.db2.gz UVQWNDSDVXGEHP-UHFFFAOYSA-N -1 1 373.478 3.062 20 30 FGEDMM C=CCc1cc(CNC(=O)c2c(F)ccc([O-])c2F)cc(OC)c1OC ZINC000570604746 506203568 /nfs/dbraw/zinc/20/35/68/506203568.db2.gz JXAMWUZBDDOEGW-UHFFFAOYSA-N -1 1 363.360 3.346 20 30 FGEDMM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443077485 500676158 /nfs/dbraw/zinc/67/61/58/500676158.db2.gz UWIXGMSPFUKXKZ-KRWDZBQOSA-N -1 1 360.417 3.227 20 30 FGEDMM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1cccc(C#N)c1 ZINC000440076214 500972679 /nfs/dbraw/zinc/97/26/79/500972679.db2.gz IKYXSMLQCJHNNK-UHFFFAOYSA-N -1 1 364.365 3.185 20 30 FGEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000435600113 500999417 /nfs/dbraw/zinc/99/94/17/500999417.db2.gz YLXOQAWMDIEXGG-GZMMTYOYSA-N -1 1 356.296 3.314 20 30 FGEDMM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(Cl)ccc3[O-])C2)c(F)c1 ZINC000436792726 501212602 /nfs/dbraw/zinc/21/26/02/501212602.db2.gz PJNFVGHUCKZUNJ-AWEZNQCLSA-N -1 1 373.815 3.455 20 30 FGEDMM C=C[C@H]1CCCCN1C(=O)c1cc(I)ccc1[O-] ZINC000436820331 501216319 /nfs/dbraw/zinc/21/63/19/501216319.db2.gz GYPUOMZUKRMTDR-NSHDSACASA-N -1 1 357.191 3.178 20 30 FGEDMM C=CCC1(C(=O)N2CCC(c3nc(C(=O)OCC)n[n-]3)CC2)CCCCC1 ZINC000451217010 501252851 /nfs/dbraw/zinc/25/28/51/501252851.db2.gz KFCFXSMFLVAKRF-UHFFFAOYSA-N -1 1 374.485 3.214 20 30 FGEDMM C=C(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000451802376 501375127 /nfs/dbraw/zinc/37/51/27/501375127.db2.gz LPLSRSWUHVCXAE-UHFFFAOYSA-N -1 1 352.239 3.025 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)C#N)cc2)cc1 ZINC000611694601 506261298 /nfs/dbraw/zinc/26/12/98/506261298.db2.gz WJUHTHYURGBJJU-UHFFFAOYSA-N -1 1 371.462 3.075 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000464419484 501984189 /nfs/dbraw/zinc/98/41/89/501984189.db2.gz MXHKIXPAIWJNBI-UHFFFAOYSA-N -1 1 362.373 3.110 20 30 FGEDMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)C1(C#N)CCC1 ZINC000485917073 501987453 /nfs/dbraw/zinc/98/74/53/501987453.db2.gz XJIHUNWWZSNPQC-UHFFFAOYSA-N -1 1 360.211 3.221 20 30 FGEDMM C=C[C@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000464750643 502081360 /nfs/dbraw/zinc/08/13/60/502081360.db2.gz MPMXADZYAXKNDB-HNNXBMFYSA-N -1 1 373.478 3.203 20 30 FGEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000582585655 506308708 /nfs/dbraw/zinc/30/87/08/506308708.db2.gz OGXLCPHLKNLDIE-UHFFFAOYSA-N -1 1 356.234 3.396 20 30 FGEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc2cc(F)ccc2s1 ZINC000592973300 506317014 /nfs/dbraw/zinc/31/70/14/506317014.db2.gz CJOLAILBVKEHHX-LBPRGKRZSA-N -1 1 354.366 3.416 20 30 FGEDMM CO[C@H](C)c1nc(=NC2CCC(Oc3ccccc3C#N)CC2)s[n-]1 ZINC000509750613 502979617 /nfs/dbraw/zinc/97/96/17/502979617.db2.gz JTQIBFFAXQBXLX-LRVUVFPRSA-N -1 1 358.467 3.341 20 30 FGEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1-c1ccnn1C ZINC000509850599 502998673 /nfs/dbraw/zinc/99/86/73/502998673.db2.gz LYJRSSXSXXBVFL-AWEZNQCLSA-N -1 1 352.419 3.351 20 30 FGEDMM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000489654660 503006015 /nfs/dbraw/zinc/00/60/15/503006015.db2.gz KKHURAVJHKDHKM-CYBMUJFWSA-N -1 1 366.266 3.093 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000508074049 503424383 /nfs/dbraw/zinc/42/43/83/503424383.db2.gz NLLVYFFNRIXFNN-LLVKDONJSA-N -1 1 357.259 3.056 20 30 FGEDMM COCc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C#N ZINC000529817092 503714871 /nfs/dbraw/zinc/71/48/71/503714871.db2.gz UGLTZTIHKRZGAP-UHFFFAOYSA-N -1 1 354.410 3.059 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000538093367 504131486 /nfs/dbraw/zinc/13/14/86/504131486.db2.gz AISJNUTZZKICKU-UHFFFAOYSA-N -1 1 359.451 3.327 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[n-]c(=O)c1C ZINC000539615354 504627564 /nfs/dbraw/zinc/62/75/64/504627564.db2.gz DDJSASUNGBNDOD-QNNTWYEPSA-N -1 1 362.499 3.211 20 30 FGEDMM C[C@@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000563244575 505085911 /nfs/dbraw/zinc/08/59/11/505085911.db2.gz BZUIKJSODOCOEB-VIFPVBQESA-N -1 1 359.234 3.368 20 30 FGEDMM Cc1cccc(O[C@H]2CCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000557841122 505244148 /nfs/dbraw/zinc/24/41/48/505244148.db2.gz IYQJXYBPDMTTTE-IRXDYDNUSA-N -1 1 360.435 3.128 20 30 FGEDMM C[C@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561479689 505357444 /nfs/dbraw/zinc/35/74/44/505357444.db2.gz PKUWFJCQVSJNAJ-CYBMUJFWSA-N -1 1 362.451 3.195 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1OC[C@H]1CCCCO1 ZINC000593194089 506455787 /nfs/dbraw/zinc/45/57/87/506455787.db2.gz IQKGOFNFWXOQKP-OAHLLOKOSA-N -1 1 366.483 3.316 20 30 FGEDMM CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccn1 ZINC000589181133 506473906 /nfs/dbraw/zinc/47/39/06/506473906.db2.gz WNXDRNIDRLCVPH-AWEZNQCLSA-N -1 1 353.422 3.402 20 30 FGEDMM CCOCCOCc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000589188757 506475560 /nfs/dbraw/zinc/47/55/60/506475560.db2.gz MDASOVJEPQSHCC-UHFFFAOYSA-N -1 1 354.406 3.378 20 30 FGEDMM CCOC(=O)c1sc(NC(=O)c2cc([O-])cc(C#N)c2)nc1C(C)C ZINC000589194382 506476667 /nfs/dbraw/zinc/47/66/67/506476667.db2.gz FTKRNUVBGWFPHK-UHFFFAOYSA-N -1 1 359.407 3.273 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1 ZINC000589207874 506485168 /nfs/dbraw/zinc/48/51/68/506485168.db2.gz VZUHPRUZSDLRLY-UHFFFAOYSA-N -1 1 361.401 3.205 20 30 FGEDMM COC(=O)Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000589794975 506650828 /nfs/dbraw/zinc/65/08/28/506650828.db2.gz IJZFTRSRWKYNQS-AWEZNQCLSA-N -1 1 362.307 3.306 20 30 FGEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000609629704 506953702 /nfs/dbraw/zinc/95/37/02/506953702.db2.gz ZRTHWOHKRVQWNS-UHFFFAOYSA-N -1 1 357.435 3.243 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000610124050 507107632 /nfs/dbraw/zinc/10/76/32/507107632.db2.gz SQNSAYNLFSJVNJ-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594400415 507115032 /nfs/dbraw/zinc/11/50/32/507115032.db2.gz QLZFMRDOBXIUGA-VBNZEHGJSA-N -1 1 372.465 3.386 20 30 FGEDMM N#CCCN(C(=O)Cc1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000601035440 507236973 /nfs/dbraw/zinc/23/69/73/507236973.db2.gz HRTWHKGTOUEERK-UHFFFAOYSA-N -1 1 372.808 3.306 20 30 FGEDMM N#CC1([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000594720277 507252720 /nfs/dbraw/zinc/25/27/20/507252720.db2.gz IVXAIOYVDTULLE-UHFFFAOYSA-N -1 1 370.055 3.090 20 30 FGEDMM Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)[n-]c(=O)c1C1CC1 ZINC000601087854 507257303 /nfs/dbraw/zinc/25/73/03/507257303.db2.gz JGJMFVRWTLHOPP-GFCCVEGCSA-N -1 1 360.483 3.191 20 30 FGEDMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)[C@@H](C)C#N ZINC000598346526 507386404 /nfs/dbraw/zinc/38/64/04/507386404.db2.gz KHLYNZWXFIQIEG-HNNXBMFYSA-N -1 1 371.462 3.170 20 30 FGEDMM COc1ccc(-c2nnc(NC(=O)c3cc([O-])cc(C#N)c3)s2)cc1 ZINC000614304800 507450035 /nfs/dbraw/zinc/45/00/35/507450035.db2.gz CPLDRJGHHILJKE-UHFFFAOYSA-N -1 1 352.375 3.043 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCc3c2cccc3Br)c1 ZINC000614366820 507481757 /nfs/dbraw/zinc/48/17/57/507481757.db2.gz JURPMMHCTZOUJH-INIZCTEOSA-N -1 1 357.207 3.444 20 30 FGEDMM Cc1nc([C@H](NC(=O)c2cc([O-])cc(C#N)c2)c2ccc(Cl)cc2)no1 ZINC000614374046 507485011 /nfs/dbraw/zinc/48/50/11/507485011.db2.gz UXEYZVXIAAGKED-MRXNPFEDSA-N -1 1 368.780 3.128 20 30 FGEDMM C=C(C)CNC(=S)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735402623 598827151 /nfs/dbraw/zinc/82/71/51/598827151.db2.gz ZNVAQXUVBIMRST-UHFFFAOYSA-N -1 1 370.507 3.135 20 30 FGEDMM C(=NN(Cc1ccccc1)Cc1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC000819719086 599333328 /nfs/dbraw/zinc/33/33/28/599333328.db2.gz YXOWVFGDZQWPOR-UHFFFAOYSA-N -1 1 358.405 3.496 20 30 FGEDMM C(=NN(Cc1ccccc1)Cc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC000819719086 599333330 /nfs/dbraw/zinc/33/33/30/599333330.db2.gz YXOWVFGDZQWPOR-UHFFFAOYSA-N -1 1 358.405 3.496 20 30 FGEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820833297 599337451 /nfs/dbraw/zinc/33/74/51/599337451.db2.gz VPHZPLULOYVVTO-UHFFFAOYSA-N -1 1 361.356 3.483 20 30 FGEDMM CC#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000819766430 599661852 /nfs/dbraw/zinc/66/18/52/599661852.db2.gz YJOSDEHWCLNRBY-UHFFFAOYSA-N -1 1 368.780 3.493 20 30 FGEDMM N#Cc1cccc(OC2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000739133387 599795181 /nfs/dbraw/zinc/79/51/81/599795181.db2.gz GLTWMNSXQCLQOF-UHFFFAOYSA-N -1 1 354.381 3.439 20 30 FGEDMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000832914102 600761167 /nfs/dbraw/zinc/76/11/67/600761167.db2.gz ANNVLSLCTMRZON-KBPBESRZSA-N -1 1 351.406 3.243 20 30 FGEDMM N#CC(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000833063637 601236989 /nfs/dbraw/zinc/23/69/89/601236989.db2.gz KOPYBHOBXFCHCI-GRYCIOLGSA-N -1 1 361.348 3.499 20 30 FGEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000179026339 604398666 /nfs/dbraw/zinc/39/86/66/604398666.db2.gz QJPBZWYOKZPDAT-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CC[C@H](C#N)Oc1cc(CNCc2cc(C(=O)[O-])c(C)o2)ccc1OC ZINC000833635819 605094659 /nfs/dbraw/zinc/09/46/59/605094659.db2.gz ATGYNXCQYOVVNC-CQSZACIVSA-N -1 1 358.394 3.266 20 30 FGEDMM N#Cc1cc(CN(Cc2ccccc2)[C@H]2CCCN(C(=O)[O-])C2)ccn1 ZINC000833970842 605784096 /nfs/dbraw/zinc/78/40/96/605784096.db2.gz USOLYNVAKBORIB-IBGZPJMESA-N -1 1 350.422 3.098 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)Cc2ccc(C#N)cc2)c(-c2nnn[n-]2)s1 ZINC000824130891 608348327 /nfs/dbraw/zinc/34/83/27/608348327.db2.gz REWCPRYXKYMFPL-UHFFFAOYSA-N -1 1 366.450 3.279 20 30 FGEDMM CC(C)(C)c1cc(NC(=O)Cc2ccc(C#N)cc2)c(-c2nn[n-]n2)s1 ZINC000824130891 608348329 /nfs/dbraw/zinc/34/83/29/608348329.db2.gz REWCPRYXKYMFPL-UHFFFAOYSA-N -1 1 366.450 3.279 20 30 FGEDMM C[C@@H]1CN(C(C)(C)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000011115359 695596945 /nfs/dbraw/zinc/59/69/45/695596945.db2.gz FBHUYXKZPKDSMX-HXIRNDSOSA-N -1 1 369.849 3.261 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000108250372 700524463 /nfs/dbraw/zinc/52/44/63/700524463.db2.gz UXGYVBLICIJISD-UHFFFAOYSA-N -1 1 366.236 3.262 20 30 FGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cncc(F)c1 ZINC000151615161 704930491 /nfs/dbraw/zinc/93/04/91/704930491.db2.gz DZLRVHQXLSHXIR-NSHDSACASA-N -1 1 352.152 3.489 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC(C)(C)C#N)cc2)cc1 ZINC000181856069 705812098 /nfs/dbraw/zinc/81/20/98/705812098.db2.gz VHFPPIJISCQBNY-UHFFFAOYSA-N -1 1 358.419 3.255 20 30 FGEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000233896744 713579408 /nfs/dbraw/zinc/57/94/08/713579408.db2.gz SBHAYPSSVVWMJZ-QMMMGPOBSA-N -1 1 371.083 3.446 20 30 FGEDMM COc1c(Cl)cc(Cl)cc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000255354642 713692715 /nfs/dbraw/zinc/69/27/15/713692715.db2.gz NJBWVHIVVUOZLP-VQTKUKTRSA-N -1 1 355.173 3.230 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc(-c3ccccc3F)cs2)c1 ZINC000618892563 714785782 /nfs/dbraw/zinc/78/57/82/714785782.db2.gz CMDRHASVAYIAKS-UHFFFAOYSA-N -1 1 353.378 3.456 20 30 FGEDMM C[C@H]1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000752730546 722868796 /nfs/dbraw/zinc/86/87/96/722868796.db2.gz BROXDRUFSUOYIQ-LBPRGKRZSA-N -1 1 359.407 3.175 20 30 FGEDMM C#CCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000780798470 724501944 /nfs/dbraw/zinc/50/19/44/724501944.db2.gz OKSDGEDFVXGQGT-UHFFFAOYSA-N -1 1 371.083 3.448 20 30 FGEDMM N#Cc1cc(NCc2cccc(Br)c2[O-])cc(N)c1[N+](=O)[O-] ZINC000804654576 724537571 /nfs/dbraw/zinc/53/75/71/724537571.db2.gz SXBJYWKJOFTMBL-UHFFFAOYSA-N -1 1 363.171 3.129 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000725826290 722423967 /nfs/dbraw/zinc/42/39/67/722423967.db2.gz BAGAEVJSFKXWDF-JTQLQIEISA-N -1 1 365.798 3.159 20 30 FGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000731545534 722476326 /nfs/dbraw/zinc/47/63/26/722476326.db2.gz BGVNCYBWWRLYRF-CQSZACIVSA-N -1 1 361.716 3.348 20 30 FGEDMM Cc1ccc(CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C(C)C)cc1 ZINC000741459533 722546090 /nfs/dbraw/zinc/54/60/90/722546090.db2.gz CVRQPMDQULDMDC-UHFFFAOYSA-N -1 1 355.463 3.288 20 30 FGEDMM CSc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000741762793 722548928 /nfs/dbraw/zinc/54/89/28/722548928.db2.gz OASBHRSKBVDYBX-UHFFFAOYSA-N -1 1 363.439 3.010 20 30 FGEDMM O=C([O-])CCOc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000746679881 722614398 /nfs/dbraw/zinc/61/43/98/722614398.db2.gz WOKURMGAFYAKRM-UHFFFAOYSA-N -1 1 353.300 3.400 20 30 FGEDMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000748473593 722692727 /nfs/dbraw/zinc/69/27/27/722692727.db2.gz APEUFUTULDAKSE-SNVBAGLBSA-N -1 1 368.792 3.073 20 30 FGEDMM COC(=O)[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(C#N)cc1 ZINC000751732973 722824308 /nfs/dbraw/zinc/82/43/08/722824308.db2.gz WXHYPFGHVYPTSZ-OAHLLOKOSA-N -1 1 363.728 3.127 20 30 FGEDMM O=S1(=O)[N-]C(=NN=CCCc2c(F)cccc2Cl)c2ccccc21 ZINC000755640817 722955277 /nfs/dbraw/zinc/95/52/77/722955277.db2.gz RRXUAYUKNAWEDT-UHFFFAOYSA-N -1 1 365.817 3.136 20 30 FGEDMM COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1O ZINC000757472508 722976553 /nfs/dbraw/zinc/97/65/53/722976553.db2.gz JPUPNVSJHCWBGB-NSCUHMNNSA-N -1 1 351.261 3.189 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]nc1C1CC1 ZINC000760322842 723048603 /nfs/dbraw/zinc/04/86/03/723048603.db2.gz NJXSDJHDVIEEGE-UHFFFAOYSA-N -1 1 370.356 3.287 20 30 FGEDMM CC(C)[C@H]1CCCCC1=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000764680557 723436433 /nfs/dbraw/zinc/43/64/33/723436433.db2.gz KGGJOAQKIYNLPA-OAHLLOKOSA-N -1 1 353.444 3.216 20 30 FGEDMM O=C1Nc2ccc(Br)cc2C1=N[N-]c1ncnc2ccsc21 ZINC000764834963 723451512 /nfs/dbraw/zinc/45/15/12/723451512.db2.gz JJIFVFCDKUIMMN-UHFFFAOYSA-N -1 1 374.223 3.222 20 30 FGEDMM CC(C)(C)c1cc(C=Nn2c(=O)cn[n-]c2=S)c(O)c(C(C)(C)C)c1 ZINC000766483143 723576249 /nfs/dbraw/zinc/57/62/49/723576249.db2.gz TYJFOJXBCAHZNP-UHFFFAOYSA-N -1 1 360.483 3.110 20 30 FGEDMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)o1 ZINC000766547112 723580248 /nfs/dbraw/zinc/58/02/48/723580248.db2.gz HRAXWJDIDHVABK-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1O ZINC000797820292 723866623 /nfs/dbraw/zinc/86/66/23/723866623.db2.gz PJSLMJAKOOOMSQ-UHFFFAOYSA-N -1 1 372.324 3.092 20 30 FGEDMM Cn1c(Cl)cnc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000799473371 724032565 /nfs/dbraw/zinc/03/25/65/724032565.db2.gz CFNCJOQPJZRZPY-UHFFFAOYSA-N -1 1 364.887 3.128 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1[C@H](O)C(F)(F)F ZINC000777745488 724254514 /nfs/dbraw/zinc/25/45/14/724254514.db2.gz YMGZGUGYCCRDFO-HNNXBMFYSA-N -1 1 370.352 3.263 20 30 FGEDMM C#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000785512697 724918745 /nfs/dbraw/zinc/91/87/45/724918745.db2.gz DHETXGMNGPUFTF-UHFFFAOYSA-N -1 1 357.431 3.284 20 30 FGEDMM C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805260491 725060041 /nfs/dbraw/zinc/06/00/41/725060041.db2.gz IHTCOCZOSYMXDA-CRWXNKLISA-N -1 1 363.424 3.218 20 30 FGEDMM Cn1c(N=NCc2cccc(C(=O)[O-])c2Cl)nnc1-c1ccccc1 ZINC000814806283 727002878 /nfs/dbraw/zinc/00/28/78/727002878.db2.gz UKKJRRFJAKXTFE-UHFFFAOYSA-N -1 1 355.785 3.280 20 30 FGEDMM N#C[C@@H](C(=O)CSC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835041132 729852233 /nfs/dbraw/zinc/85/22/33/729852233.db2.gz VTWQUQOMIPLTGO-QMMMGPOBSA-N -1 1 369.418 3.408 20 30 FGEDMM C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836948545 729981863 /nfs/dbraw/zinc/98/18/63/729981863.db2.gz DQHCMEZRYKNTKJ-GFCCVEGCSA-N -1 1 358.360 3.093 20 30 FGEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000856315972 732009111 /nfs/dbraw/zinc/00/91/11/732009111.db2.gz GCYZMMBMURMBEV-ZWKOTPCHSA-N -1 1 358.825 3.405 20 30 FGEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C#N)c(F)cc2C)c(=O)[n-]1 ZINC000874902787 735944944 /nfs/dbraw/zinc/94/49/44/735944944.db2.gz WFCWQTOLZHRPQJ-UHFFFAOYSA-N -1 1 360.414 3.103 20 30 FGEDMM C=C[C@](C)(O)Cc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000896204166 742513959 /nfs/dbraw/zinc/51/39/59/742513959.db2.gz LXLIFWLCFSWLSS-HNNXBMFYSA-N -1 1 369.215 3.083 20 30 FGEDMM C=C1CC(c2noc(C[N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)n2)C1 ZINC000896882514 742611667 /nfs/dbraw/zinc/61/16/67/742611667.db2.gz UHQVUPJIALAQJF-UHFFFAOYSA-N -1 1 373.356 3.001 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccnn2CC2CCC2)c(Cl)c1 ZINC000901907593 743673827 /nfs/dbraw/zinc/67/38/27/743673827.db2.gz OSXDQAGWOMCNAY-UHFFFAOYSA-N -1 1 350.831 3.009 20 30 FGEDMM C=C(Cl)C[C@@H](NCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000901941053 743683348 /nfs/dbraw/zinc/68/33/48/743683348.db2.gz RJTZETBRKSVSBH-SECBINFHSA-N -1 1 354.031 3.183 20 30 FGEDMM C=CCOc1c(Cl)cc(CN2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1OC ZINC000902555536 743757444 /nfs/dbraw/zinc/75/74/44/743757444.db2.gz ZBRVYYWIDNAEQZ-ZENOOKHLSA-N -1 1 351.830 3.066 20 30 FGEDMM Cc1nc2ccccc2c(=O)n1N=Cc1ccc([O-])c(Br)c1 ZINC000916293434 758066296 /nfs/dbraw/zinc/06/62/96/758066296.db2.gz OROZWSBYDKZLBT-UHFFFAOYSA-N -1 1 358.195 3.055 20 30 FGEDMM COc1cc(CN=Nc2ncc(Cl)cc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000916316950 758069904 /nfs/dbraw/zinc/06/99/04/758069904.db2.gz REHRBCZBBBNVFJ-UHFFFAOYSA-N -1 1 357.153 3.457 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c(N3CCNC3=O)c2)n1 ZINC000076763271 493965798 /nfs/dbraw/zinc/96/57/98/493965798.db2.gz OLMXOIBGKJIJPQ-NSHDSACASA-N -1 1 360.826 3.125 20 30 FGEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076936239 493991567 /nfs/dbraw/zinc/99/15/67/493991567.db2.gz ZAQBKYFNJQJBII-UHFFFAOYSA-N -1 1 357.435 3.406 20 30 FGEDMM CC(C)n1c([C@H]2CCCN(C(=O)c3cc(C#N)cs3)C2)n[n-]c1=S ZINC000084297340 494061646 /nfs/dbraw/zinc/06/16/46/494061646.db2.gz PGLQEYASPKTPJX-LBPRGKRZSA-N -1 1 361.496 3.475 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000066587690 494360552 /nfs/dbraw/zinc/36/05/52/494360552.db2.gz MVQQFJUBOWLDPU-UHFFFAOYSA-N -1 1 361.419 3.214 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000066587678 494360802 /nfs/dbraw/zinc/36/08/02/494360802.db2.gz JWEPUXNOZSRXFL-UHFFFAOYSA-N -1 1 363.435 3.460 20 30 FGEDMM Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055592161 494368533 /nfs/dbraw/zinc/36/85/33/494368533.db2.gz OEAHHDGWNAMHDO-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055595506 494369875 /nfs/dbraw/zinc/36/98/75/494369875.db2.gz GVJGZXIYJDKFHH-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000024432349 494629549 /nfs/dbraw/zinc/62/95/49/494629549.db2.gz DHQUYSOJRAUYKU-UHFFFAOYSA-N -1 1 357.435 3.344 20 30 FGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068075974 494753259 /nfs/dbraw/zinc/75/32/59/494753259.db2.gz ACVRHKIWOSYXHA-UHFFFAOYSA-N -1 1 358.419 3.200 20 30 FGEDMM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000109425278 494871797 /nfs/dbraw/zinc/87/17/97/494871797.db2.gz RCWVAHPEWMQFSV-UHFFFAOYSA-N -1 1 369.368 3.444 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000134068334 495100838 /nfs/dbraw/zinc/10/08/38/495100838.db2.gz UDGKWPSKNOPJLW-RBUKOAKNSA-N -1 1 372.446 3.041 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000134082252 495103004 /nfs/dbraw/zinc/10/30/04/495103004.db2.gz BVIBKHTVJKYHMT-RBUKOAKNSA-N -1 1 372.446 3.041 20 30 FGEDMM N#C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC000114310493 495360954 /nfs/dbraw/zinc/36/09/54/495360954.db2.gz WJHWUWPGGOPODO-IBGZPJMESA-N -1 1 371.440 3.396 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000154212671 495546794 /nfs/dbraw/zinc/54/67/94/495546794.db2.gz NLRINRUJDZRUDY-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM C=CCOCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000173482287 495550450 /nfs/dbraw/zinc/55/04/50/495550450.db2.gz YHOWBACJHAEKAS-UHFFFAOYSA-N -1 1 374.462 3.409 20 30 FGEDMM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000182560937 495615806 /nfs/dbraw/zinc/61/58/06/495615806.db2.gz OFHGVXUFVVOYIT-OAHLLOKOSA-N -1 1 357.373 3.422 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1OC1CCOCC1 ZINC000154557687 495654286 /nfs/dbraw/zinc/65/42/86/495654286.db2.gz YWEVXSAOWFNXSF-UHFFFAOYSA-N -1 1 372.446 3.225 20 30 FGEDMM Cc1nscc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000180440069 495996682 /nfs/dbraw/zinc/99/66/82/495996682.db2.gz CXNLTGDJDHQAMB-JTQLQIEISA-N -1 1 370.459 3.118 20 30 FGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)cc1Cl ZINC000577972875 505830622 /nfs/dbraw/zinc/83/06/22/505830622.db2.gz OGTUTXDFARZGTC-UHFFFAOYSA-N -1 1 356.806 3.200 20 30 FGEDMM Cc1ccc(NC(=O)CC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000153475898 496467698 /nfs/dbraw/zinc/46/76/98/496467698.db2.gz RUVXFLPMGOYVFD-UHFFFAOYSA-N -1 1 363.826 3.301 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1[O-] ZINC000187794665 496574745 /nfs/dbraw/zinc/57/47/45/496574745.db2.gz AUOASUQVQMATKT-AWEZNQCLSA-N -1 1 356.179 3.021 20 30 FGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000153967421 496638729 /nfs/dbraw/zinc/63/87/29/496638729.db2.gz WHLRYYOLDXDACF-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM COC(=O)c1c[n-]c(SCc2ccc(C#N)cc2Br)n1 ZINC000191502352 496785447 /nfs/dbraw/zinc/78/54/47/496785447.db2.gz XFLVASCHNRIVEZ-UHFFFAOYSA-N -1 1 352.213 3.123 20 30 FGEDMM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188588795 496843255 /nfs/dbraw/zinc/84/32/55/496843255.db2.gz OFFZQRIXTZRQAX-UHFFFAOYSA-N -1 1 352.390 3.149 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[O-] ZINC000189173660 497033011 /nfs/dbraw/zinc/03/30/11/497033011.db2.gz OMEFHRWMVALJJV-KRWDZBQOSA-N -1 1 373.416 3.069 20 30 FGEDMM CCOc1ccc(N(CCC#N)C(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000270013654 497042195 /nfs/dbraw/zinc/04/21/95/497042195.db2.gz BIODLWRYKIYXNO-UHFFFAOYSA-N -1 1 367.405 3.310 20 30 FGEDMM COC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2ccccc2c1 ZINC000189201395 497042552 /nfs/dbraw/zinc/04/25/52/497042552.db2.gz RXVRRPXFDDEXIE-LJQANCHMSA-N -1 1 360.369 3.061 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC000192709142 497191169 /nfs/dbraw/zinc/19/11/69/497191169.db2.gz KHNDWMWUIQZNDY-UHFFFAOYSA-N -1 1 366.446 3.435 20 30 FGEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000192935486 497251963 /nfs/dbraw/zinc/25/19/63/497251963.db2.gz CAWOMTIVAYNZGM-KRWDZBQOSA-N -1 1 355.825 3.068 20 30 FGEDMM Cc1c(/N=C/c2ccc(O)c([O-])c2O)cccc1C(=O)N1CCSCC1 ZINC000299535446 497839138 /nfs/dbraw/zinc/83/91/38/497839138.db2.gz RTHSQSOSMPTIRJ-RGVLZGJSSA-N -1 1 372.446 3.051 20 30 FGEDMM Cc1ccc(-c2cnccn2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000373518640 499474638 /nfs/dbraw/zinc/47/46/38/499474638.db2.gz HMVLQGZUCSZEHO-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(Cl)c1 ZINC000391180950 499556546 /nfs/dbraw/zinc/55/65/46/499556546.db2.gz LZUMHGOKWDUNGO-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM N#CC1(CCS(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)CCCCC1 ZINC000414223028 499769411 /nfs/dbraw/zinc/76/94/11/499769411.db2.gz ODTALSCJDKFIII-UHFFFAOYSA-N -1 1 362.430 3.249 20 30 FGEDMM N#CC1(CCS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)CCCCC1 ZINC000414223028 499769413 /nfs/dbraw/zinc/76/94/13/499769413.db2.gz ODTALSCJDKFIII-UHFFFAOYSA-N -1 1 362.430 3.249 20 30 FGEDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C#N)c(F)c2)c1OC ZINC000421811959 500156804 /nfs/dbraw/zinc/15/68/04/500156804.db2.gz AVSICWPOQDXLHO-INIZCTEOSA-N -1 1 358.369 3.020 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1F ZINC000427109848 500355087 /nfs/dbraw/zinc/35/50/87/500355087.db2.gz SOCQOHRPVGVWOQ-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1OC(F)(F)F ZINC000442231316 500573392 /nfs/dbraw/zinc/57/33/92/500573392.db2.gz UTUQIPXUSLHISL-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000437353786 500634917 /nfs/dbraw/zinc/63/49/17/500634917.db2.gz JQJKPYJIIAMVSP-ZDUSSCGKSA-N -1 1 360.377 3.058 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000443425027 500722820 /nfs/dbraw/zinc/72/28/20/500722820.db2.gz WVMWPOMOUXQVSA-UHFFFAOYSA-N -1 1 365.476 3.010 20 30 FGEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444362474 500839828 /nfs/dbraw/zinc/83/98/28/500839828.db2.gz GIPRYXSZEYYEIU-CQSZACIVSA-N -1 1 360.454 3.374 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)s1 ZINC000435426933 500973479 /nfs/dbraw/zinc/97/34/79/500973479.db2.gz KCUVXFNDTHIJIA-LBPRGKRZSA-N -1 1 364.345 3.183 20 30 FGEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)s3)[nH]n2)c1 ZINC000435501325 500985722 /nfs/dbraw/zinc/98/57/22/500985722.db2.gz KWTUBSZOYJAAHO-UHFFFAOYSA-N -1 1 358.448 3.428 20 30 FGEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n[nH]1 ZINC000435718138 501016955 /nfs/dbraw/zinc/01/69/55/501016955.db2.gz BFCXHGJIGKJXLM-UHFFFAOYSA-N -1 1 367.434 3.069 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)ccc1C#N ZINC000435719928 501017549 /nfs/dbraw/zinc/01/75/49/501017549.db2.gz RUZPSEKALXNDCZ-GOSISDBHSA-N -1 1 372.446 3.225 20 30 FGEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435727044 501018969 /nfs/dbraw/zinc/01/89/69/501018969.db2.gz CQTKMVUOGXFYQW-AWEZNQCLSA-N -1 1 372.446 3.019 20 30 FGEDMM C=CCC1(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCCC1 ZINC000449510479 501020917 /nfs/dbraw/zinc/02/09/17/501020917.db2.gz LPYPDHPZAJKBEX-UHFFFAOYSA-N -1 1 352.456 3.142 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)ccc1C#N ZINC000446809604 501167598 /nfs/dbraw/zinc/16/75/98/501167598.db2.gz SAQGGVLFHQSJAM-UHFFFAOYSA-N -1 1 373.437 3.462 20 30 FGEDMM CC(C)(CCC#N)CNC(=O)c1cc(I)ccc1[O-] ZINC000436737751 501201028 /nfs/dbraw/zinc/20/10/28/501201028.db2.gz KDILZFNWFHUNLO-UHFFFAOYSA-N -1 1 372.206 3.057 20 30 FGEDMM CC[C@](C)(C#N)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436880467 501226719 /nfs/dbraw/zinc/22/67/19/501226719.db2.gz RDGNLUAPIFXZHU-CQSZACIVSA-N -1 1 352.188 3.405 20 30 FGEDMM C=CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000468402902 502047007 /nfs/dbraw/zinc/04/70/07/502047007.db2.gz MHQJQEZGSCIOGB-UHFFFAOYSA-N -1 1 358.463 3.492 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccc(C#N)cc2)c1 ZINC000482696898 502155988 /nfs/dbraw/zinc/15/59/88/502155988.db2.gz SBAMAAFFJJFFKJ-UHFFFAOYSA-N -1 1 361.195 3.352 20 30 FGEDMM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000479491040 502275198 /nfs/dbraw/zinc/27/51/98/502275198.db2.gz QVAOSKIWDWRBQB-UHFFFAOYSA-N -1 1 352.799 3.030 20 30 FGEDMM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000469066951 502284649 /nfs/dbraw/zinc/28/46/49/502284649.db2.gz YFNORLOLPCRPAN-UHFFFAOYSA-N -1 1 371.484 3.433 20 30 FGEDMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 ZINC000469089374 502293091 /nfs/dbraw/zinc/29/30/91/502293091.db2.gz WZBSGBYWGFEKMR-UHFFFAOYSA-N -1 1 352.847 3.324 20 30 FGEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc21 ZINC000475810859 502298208 /nfs/dbraw/zinc/29/82/08/502298208.db2.gz NPQNUPZPKPICIF-UHFFFAOYSA-N -1 1 354.435 3.484 20 30 FGEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000476605826 502539827 /nfs/dbraw/zinc/53/98/27/502539827.db2.gz YYLUWZCLXRDKJW-LURJTMIESA-N -1 1 353.259 3.321 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cnc1N1CCCC[C@H]1C ZINC000502423354 503197421 /nfs/dbraw/zinc/19/74/21/503197421.db2.gz FVLHLJMSWIFZNE-OAHLLOKOSA-N -1 1 370.478 3.441 20 30 FGEDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2O1 ZINC000507582412 503326838 /nfs/dbraw/zinc/32/68/38/503326838.db2.gz XFSKCCREMWFKFE-UHFFFAOYSA-N -1 1 356.403 3.103 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000507921846 503396618 /nfs/dbraw/zinc/39/66/18/503396618.db2.gz OTHYSKKIZADRIA-UHFFFAOYSA-N -1 1 368.418 3.364 20 30 FGEDMM Cc1cccc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000546182432 503661069 /nfs/dbraw/zinc/66/10/69/503661069.db2.gz CBBIUQSYQHNQLI-GFCCVEGCSA-N -1 1 350.390 3.493 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C2CCCCC2)no1 ZINC000546763818 503870183 /nfs/dbraw/zinc/87/01/83/503870183.db2.gz GHDOEVMKVXOZKF-CYBMUJFWSA-N -1 1 366.487 3.182 20 30 FGEDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000548197507 504366436 /nfs/dbraw/zinc/36/64/36/504366436.db2.gz FEDSXMPKSWTJFJ-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000593205907 506463692 /nfs/dbraw/zinc/46/36/92/506463692.db2.gz CAPPYIJMIHCUGX-UHFFFAOYSA-N -1 1 372.446 3.384 20 30 FGEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000589170191 506469924 /nfs/dbraw/zinc/46/99/24/506469924.db2.gz PSIYNDHJDDMOJN-GFCCVEGCSA-N -1 1 364.405 3.039 20 30 FGEDMM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000590347849 506800230 /nfs/dbraw/zinc/80/02/30/506800230.db2.gz XMFOXCCSFLGJDT-UHFFFAOYSA-N -1 1 358.829 3.105 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000591111271 507120326 /nfs/dbraw/zinc/12/03/26/507120326.db2.gz AQAYACPPSSMAJR-CQSZACIVSA-N -1 1 358.438 3.238 20 30 FGEDMM COc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000610336053 507199034 /nfs/dbraw/zinc/19/90/34/507199034.db2.gz SDLNVMXKIDVMSC-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000610663118 507336582 /nfs/dbraw/zinc/33/65/82/507336582.db2.gz LHZFZBWZXJHSMF-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM COc1cc(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(F)c1 ZINC000610676084 507343341 /nfs/dbraw/zinc/34/33/41/507343341.db2.gz NVWVGFWKXWKOSS-UHFFFAOYSA-N -1 1 358.753 3.299 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCc3c2cccc3Br)c1 ZINC000614366821 507480783 /nfs/dbraw/zinc/48/07/83/507480783.db2.gz JURPMMHCTZOUJH-MRXNPFEDSA-N -1 1 357.207 3.444 20 30 FGEDMM Cc1ccc(C)c([C@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)[C@@H](C)CO2)c1 ZINC000614370508 507483237 /nfs/dbraw/zinc/48/32/37/507483237.db2.gz FFGNPJQKRSXIHE-MGPUTAFESA-N -1 1 350.418 3.483 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000614866242 507677091 /nfs/dbraw/zinc/67/70/91/507677091.db2.gz UOVRWTIDFQMEGL-UHFFFAOYSA-N -1 1 374.462 3.110 20 30 FGEDMM N#Cc1cccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000737730216 598854594 /nfs/dbraw/zinc/85/45/94/598854594.db2.gz HKSRDIITRWFUMB-UHFFFAOYSA-N -1 1 359.418 3.474 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccccc3F)C2)o1 ZINC000820198258 599335986 /nfs/dbraw/zinc/33/59/86/599335986.db2.gz UDPVWHMGQSRYSO-UHFFFAOYSA-N -1 1 355.377 3.463 20 30 FGEDMM N#CCc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000327134841 600052522 /nfs/dbraw/zinc/05/25/22/600052522.db2.gz UBQWPPRQVKQZNI-UHFFFAOYSA-N -1 1 372.427 3.466 20 30 FGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000739106381 600561800 /nfs/dbraw/zinc/56/18/00/600561800.db2.gz RQJFGWZIVGJLSL-HXRGIAOBSA-N -1 1 361.445 3.015 20 30 FGEDMM N#Cc1ccc([C@@H](NCc2csc(Br)c2)C(=O)[O-])cc1 ZINC000739105421 600593729 /nfs/dbraw/zinc/59/37/29/600593729.db2.gz HBVKDJPVNHTBHB-CYBMUJFWSA-N -1 1 351.225 3.298 20 30 FGEDMM N#Cc1cccc([C@H](NCc2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000833074738 601300147 /nfs/dbraw/zinc/30/01/47/601300147.db2.gz FBSPGMALSKLUAK-HNNXBMFYSA-N -1 1 363.186 3.375 20 30 FGEDMM C#Cc1cccc(N(Cc2ccccc2)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000823861667 607518207 /nfs/dbraw/zinc/51/82/07/607518207.db2.gz PCVXBAFWTZIERX-UHFFFAOYSA-N -1 1 366.428 3.450 20 30 FGEDMM C#Cc1cccc(N(Cc2ccccc2)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000823861667 607518209 /nfs/dbraw/zinc/51/82/09/607518209.db2.gz PCVXBAFWTZIERX-UHFFFAOYSA-N -1 1 366.428 3.450 20 30 FGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000827218901 602224209 /nfs/dbraw/zinc/22/42/09/602224209.db2.gz VDAUJFLWTKHUKG-BLLLJJGKSA-N -1 1 363.483 3.108 20 30 FGEDMM N#CC(C(=O)c1ccc(CNC(=O)[O-])o1)c1nc2ccccc2n1C(F)F ZINC000831064081 604224703 /nfs/dbraw/zinc/22/47/03/604224703.db2.gz BQECRBBPYHXXQE-SNVBAGLBSA-N -1 1 374.303 3.282 20 30 FGEDMM N#CC(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000831064310 604224774 /nfs/dbraw/zinc/22/47/74/604224774.db2.gz FJUKALHJDHIJSA-OUAUKWLOSA-N -1 1 362.336 3.044 20 30 FGEDMM C#CCOc1ccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000833367413 604673545 /nfs/dbraw/zinc/67/35/45/604673545.db2.gz XPEKEIWPNGCQHQ-GOSISDBHSA-N -1 1 363.335 3.374 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccccc2C2CC2)o1 ZINC000820107915 606202654 /nfs/dbraw/zinc/20/26/54/606202654.db2.gz DBWIEBOSUNSKSW-UHFFFAOYSA-N -1 1 351.414 3.377 20 30 FGEDMM O=C(/C=C\c1ccc(-c2nn[n-]n2)s1)c1c(Cl)nc2sccn21 ZINC000822921972 606392954 /nfs/dbraw/zinc/39/29/54/606392954.db2.gz BKBWODOREFSWIO-IWQZZHSRSA-N -1 1 362.827 3.187 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c(Cl)nc2ccccn21 ZINC000822922229 606393069 /nfs/dbraw/zinc/39/30/69/606393069.db2.gz DRVJIFJZWGRFDK-XQRVVYSFSA-N -1 1 356.798 3.125 20 30 FGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819743655 606494939 /nfs/dbraw/zinc/49/49/39/606494939.db2.gz NKRNOANYIGQEPO-UHFFFAOYSA-N -1 1 365.871 3.472 20 30 FGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819743655 606494941 /nfs/dbraw/zinc/49/49/41/606494941.db2.gz NKRNOANYIGQEPO-UHFFFAOYSA-N -1 1 365.871 3.472 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CCC3)s2)o1 ZINC000820202984 607148060 /nfs/dbraw/zinc/14/80/60/607148060.db2.gz NNVPKMCVRIJRCU-UHFFFAOYSA-N -1 1 358.431 3.148 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000826323243 607808193 /nfs/dbraw/zinc/80/81/93/607808193.db2.gz WKIDAXJXVVPRNM-UHFFFAOYSA-N -1 1 371.710 3.281 20 30 FGEDMM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000823932375 608093353 /nfs/dbraw/zinc/09/33/53/608093353.db2.gz VWXKPTSZNPALOS-GQCTYLIASA-N -1 1 368.418 3.398 20 30 FGEDMM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000823932375 608093354 /nfs/dbraw/zinc/09/33/54/608093354.db2.gz VWXKPTSZNPALOS-GQCTYLIASA-N -1 1 368.418 3.398 20 30 FGEDMM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826157447 608093383 /nfs/dbraw/zinc/09/33/83/608093383.db2.gz VUBVUSYWGYDHKF-SREVYHEPSA-N -1 1 370.434 3.240 20 30 FGEDMM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826157447 608093384 /nfs/dbraw/zinc/09/33/84/608093384.db2.gz VUBVUSYWGYDHKF-SREVYHEPSA-N -1 1 370.434 3.240 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826380244 608188199 /nfs/dbraw/zinc/18/81/99/608188199.db2.gz SCGURIALBMDMJI-VXGBXAGGSA-N -1 1 371.857 3.253 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826380244 608188200 /nfs/dbraw/zinc/18/82/00/608188200.db2.gz SCGURIALBMDMJI-VXGBXAGGSA-N -1 1 371.857 3.253 20 30 FGEDMM O=C(/C=C/c1c(C2CC2)nc2sccn12)c1ccc(-c2nn[n-]n2)s1 ZINC000826399728 608387534 /nfs/dbraw/zinc/38/75/34/608387534.db2.gz DJVOPEOMBXMXKG-ONEGZZNKSA-N -1 1 368.447 3.411 20 30 FGEDMM N#Cc1ccc(Oc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)cc1 ZINC000826386101 608405511 /nfs/dbraw/zinc/40/55/11/608405511.db2.gz OYJRZJZLQUKHFO-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM N#Cc1ccc(Oc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)cc1 ZINC000826386101 608405512 /nfs/dbraw/zinc/40/55/12/608405512.db2.gz OYJRZJZLQUKHFO-UHFFFAOYSA-N -1 1 356.349 3.064 20 30 FGEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C#N)cc1 ZINC000023416732 695662052 /nfs/dbraw/zinc/66/20/52/695662052.db2.gz DNMOLCULWCKKSW-LLVKDONJSA-N -1 1 362.382 3.004 20 30 FGEDMM N#C[C@@H](C(=O)[C@H]1CC=CCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707314 695845485 /nfs/dbraw/zinc/84/54/85/695845485.db2.gz ZINYBGFROUJWMI-AAEUAGOBSA-N -1 1 353.447 3.396 20 30 FGEDMM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2cn[nH]c21 ZINC000048514789 695881134 /nfs/dbraw/zinc/88/11/34/695881134.db2.gz UHNMKWGDGMOGTH-UHFFFAOYSA-N -1 1 369.324 3.275 20 30 FGEDMM C#CCOc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000108290744 700524826 /nfs/dbraw/zinc/52/48/26/700524826.db2.gz DRAOLYPZFIUHCV-UHFFFAOYSA-N -1 1 370.459 3.320 20 30 FGEDMM C=CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OCC)cc2)n[n-]c1=S ZINC000116988075 700599394 /nfs/dbraw/zinc/59/93/94/700599394.db2.gz WFENQONXJHGZLC-CYBMUJFWSA-N -1 1 360.483 3.477 20 30 FGEDMM CC(C)[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000121557844 700675438 /nfs/dbraw/zinc/67/54/38/700675438.db2.gz UBBJKSPWGHZCJF-QGZVFWFLSA-N -1 1 358.419 3.192 20 30 FGEDMM C=C(Br)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000129228317 700785001 /nfs/dbraw/zinc/78/50/01/700785001.db2.gz ARUVWEIADTWFIS-UHFFFAOYSA-N -1 1 371.231 3.378 20 30 FGEDMM C=CCOC(=O)c1sc2[n-]c(-c3cccc(Cl)n3)nc(=O)c2c1C ZINC000129389705 700787384 /nfs/dbraw/zinc/78/73/84/700787384.db2.gz YQMGBUQOBJZSLU-UHFFFAOYSA-N -1 1 361.810 3.351 20 30 FGEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C#N)c2C)c1Cl ZINC000178956794 705682896 /nfs/dbraw/zinc/68/28/96/705682896.db2.gz REWHANWJBYGNSJ-UHFFFAOYSA-N -1 1 364.810 3.328 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCOc3c(Br)cccc3C2)cc1[O-] ZINC000619419692 714834099 /nfs/dbraw/zinc/83/40/99/714834099.db2.gz WZSWFIFKSNAYKR-UHFFFAOYSA-N -1 1 373.206 3.061 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCOc3c(Br)cccc3C2)c1 ZINC000619420586 714834271 /nfs/dbraw/zinc/83/42/71/714834271.db2.gz HLBWYVZBKLPUSU-UHFFFAOYSA-N -1 1 373.206 3.061 20 30 FGEDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2O1 ZINC000619463853 714839303 /nfs/dbraw/zinc/83/93/03/714839303.db2.gz OHVAGDCXGUXPQE-GOSISDBHSA-N -1 1 358.419 3.451 20 30 FGEDMM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619619582 714857792 /nfs/dbraw/zinc/85/77/92/714857792.db2.gz IRXNRFNSRHKTHL-UHFFFAOYSA-N -1 1 352.781 3.086 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000619732781 714864981 /nfs/dbraw/zinc/86/49/81/714864981.db2.gz ZRGLRFPRYNBIBC-IBGZPJMESA-N -1 1 356.809 3.049 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NNC(=S)N[C@@H](C)C2CC2)c1 ZINC000781592565 724577106 /nfs/dbraw/zinc/57/71/06/724577106.db2.gz HAAKHMBNMOMTLL-VIFPVBQESA-N -1 1 356.289 3.060 20 30 FGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000783261848 724742832 /nfs/dbraw/zinc/74/28/32/724742832.db2.gz LCWLDJCQOWALCN-ZDUSSCGKSA-N -1 1 358.419 3.238 20 30 FGEDMM Cc1cccc(CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C2CC2)c1 ZINC000736429792 722523180 /nfs/dbraw/zinc/52/31/80/722523180.db2.gz GOCCYYAFNCZAII-UHFFFAOYSA-N -1 1 353.447 3.042 20 30 FGEDMM CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000753018415 722882066 /nfs/dbraw/zinc/88/20/66/722882066.db2.gz WPOFWFBZBRXWIW-UHFFFAOYSA-N -1 1 355.485 3.142 20 30 FGEDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000789977413 723090023 /nfs/dbraw/zinc/09/00/23/723090023.db2.gz RXFRKSDPLZGZOY-UHFFFAOYSA-N -1 1 361.213 3.194 20 30 FGEDMM N#C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Br)cc1 ZINC000790260342 723118809 /nfs/dbraw/zinc/11/88/09/723118809.db2.gz MDZAVKFVSLIQCX-ZDUSSCGKSA-N -1 1 373.197 3.192 20 30 FGEDMM CCOc1cc(C(=O)NCc2ccc(OC)c(C#N)c2)cc(Cl)c1[O-] ZINC000762618990 723263026 /nfs/dbraw/zinc/26/30/26/723263026.db2.gz GGVTWDYZIKBTGF-UHFFFAOYSA-N -1 1 360.797 3.255 20 30 FGEDMM CCCCN(C)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000794019175 723484098 /nfs/dbraw/zinc/48/40/98/723484098.db2.gz SWSGSKOSIGRILY-UHFFFAOYSA-N -1 1 358.467 3.299 20 30 FGEDMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000794019647 723484164 /nfs/dbraw/zinc/48/41/64/723484164.db2.gz VJVXUZUUMCYIFA-UHFFFAOYSA-N -1 1 365.405 3.482 20 30 FGEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000796096193 723620689 /nfs/dbraw/zinc/62/06/89/723620689.db2.gz AQDQQZXMNWPJLD-CYBMUJFWSA-N -1 1 369.273 3.301 20 30 FGEDMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000796096738 723620725 /nfs/dbraw/zinc/62/07/25/723620725.db2.gz GJKCKJAIEJMRKU-ZDUSSCGKSA-N -1 1 353.365 3.017 20 30 FGEDMM Cn1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c(-c2cccs2)n1 ZINC000769610521 723690696 /nfs/dbraw/zinc/69/06/96/723690696.db2.gz SBMLZKQVGJHURH-ALCCZGGFSA-N -1 1 354.387 3.449 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C#N)oc2C)cc1Cl ZINC000797943977 723888865 /nfs/dbraw/zinc/88/88/65/723888865.db2.gz YYZARNZYBPTTHL-ZDUSSCGKSA-N -1 1 357.753 3.083 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C(C)C ZINC000798471775 723935226 /nfs/dbraw/zinc/93/52/26/723935226.db2.gz AINIAIVWWLPFGV-SSDOTTSWSA-N -1 1 356.694 3.100 20 30 FGEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000776380179 724138437 /nfs/dbraw/zinc/13/84/37/724138437.db2.gz FINDTMPSUSZRPD-QGZVFWFLSA-N -1 1 364.467 3.468 20 30 FGEDMM N#Cc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1Cl ZINC000778543051 724342306 /nfs/dbraw/zinc/34/23/06/724342306.db2.gz NVUXYTAIZDWLJZ-UHFFFAOYSA-N -1 1 355.733 3.381 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000805078389 725048343 /nfs/dbraw/zinc/04/83/43/725048343.db2.gz AVTCCKHVFTVFIY-LLVKDONJSA-N -1 1 373.217 3.260 20 30 FGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)c1 ZINC000788846820 725091365 /nfs/dbraw/zinc/09/13/65/725091365.db2.gz ZOAMQWJIDWIDSS-ALCCZGGFSA-N -1 1 364.224 3.128 20 30 FGEDMM O=C([O-])c1ccc(NN=Cc2cnn(Cc3ccccc3)c2Cl)nc1 ZINC000789033087 725103832 /nfs/dbraw/zinc/10/38/32/725103832.db2.gz BRINGTGBQXQVRA-UHFFFAOYSA-N -1 1 355.785 3.124 20 30 FGEDMM C=CCc1cc(OCC)ccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819759147 728943046 /nfs/dbraw/zinc/94/30/46/728943046.db2.gz OYWGRJOFKOOKDD-UHFFFAOYSA-N -1 1 356.407 3.275 20 30 FGEDMM C=CCc1cc(OCC)ccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819759147 728943049 /nfs/dbraw/zinc/94/30/49/728943049.db2.gz OYWGRJOFKOOKDD-UHFFFAOYSA-N -1 1 356.407 3.275 20 30 FGEDMM O=C([O-])c1ccccc1NN=Cc1cn2ccc(Br)cc2n1 ZINC000811636044 725375328 /nfs/dbraw/zinc/37/53/28/725375328.db2.gz WOXIAJKWKIVZMS-UHFFFAOYSA-N -1 1 359.183 3.241 20 30 FGEDMM CC(Cc1c(Cl)cccc1Cl)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000814847838 727005612 /nfs/dbraw/zinc/00/56/12/727005612.db2.gz HBEICLBBYBCVLZ-UHFFFAOYSA-N -1 1 365.224 3.406 20 30 FGEDMM CCCCCCCCCS(=O)(=O)[N-]c1cn(C)nc1-c1cnn(C)c1 ZINC000844826913 730775761 /nfs/dbraw/zinc/77/57/61/730775761.db2.gz YDKUPRVGVBWPHH-UHFFFAOYSA-N -1 1 367.519 3.313 20 30 FGEDMM N#Cc1c(C(F)F)cccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000848695579 731198536 /nfs/dbraw/zinc/19/85/36/731198536.db2.gz MVLWHBUNEQNASS-UHFFFAOYSA-N -1 1 361.314 3.391 20 30 FGEDMM COc1cc(C(=O)/C=C/c2cc(C(F)(F)F)nn2C)cc(OC)c1[O-] ZINC000853008291 731648980 /nfs/dbraw/zinc/64/89/80/731648980.db2.gz NJLKPPGJIZXDRE-SNAWJCMRSA-N -1 1 356.300 3.058 20 30 FGEDMM CCC(C#N)(CC)C(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000861914922 732749143 /nfs/dbraw/zinc/74/91/43/732749143.db2.gz ATYIAAXQMDUTFR-UHFFFAOYSA-N -1 1 355.360 3.442 20 30 FGEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)C(C)(C)CC3)cs1 ZINC000906264990 744110182 /nfs/dbraw/zinc/11/01/82/744110182.db2.gz PDAGWEYOLWKFEZ-UHFFFAOYSA-N -1 1 361.448 3.339 20 30 FGEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920446660 758555209 /nfs/dbraw/zinc/55/52/09/758555209.db2.gz VEVRBLBWAJSIBV-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM COc1ccc(NC(=S)NN=Cc2ccc([O-])c(Cl)c2)cc1OC ZINC000921256293 758675922 /nfs/dbraw/zinc/67/59/22/758675922.db2.gz LRGIKTGFILBQRV-UHFFFAOYSA-N -1 1 365.842 3.383 20 30 FGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CCCC1 ZINC000921539277 758738252 /nfs/dbraw/zinc/73/82/52/758738252.db2.gz UJAPSHPMQUJKLI-LLVKDONJSA-N -1 1 358.186 3.134 20 30 FGEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CCCC1 ZINC000921539292 758738448 /nfs/dbraw/zinc/73/84/48/758738448.db2.gz UJAPSHPMQUJKLI-NSHDSACASA-N -1 1 358.186 3.134 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000028987504 493810920 /nfs/dbraw/zinc/81/09/20/493810920.db2.gz AQHQPBPQTBTMGN-UHFFFAOYSA-N -1 1 354.210 3.401 20 30 FGEDMM N#Cc1ccsc1C(=O)N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000068424775 493816542 /nfs/dbraw/zinc/81/65/42/493816542.db2.gz KBIVVWBFURDGMO-UHFFFAOYSA-N -1 1 359.480 3.229 20 30 FGEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068840414 493881906 /nfs/dbraw/zinc/88/19/06/493881906.db2.gz DHNFKKSZAVQOAR-UHFFFAOYSA-N -1 1 364.361 3.072 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2)nc(C)n1 ZINC000050205690 493906094 /nfs/dbraw/zinc/90/60/94/493906094.db2.gz HORPRHMSNJCIEN-AWEZNQCLSA-N -1 1 351.797 3.423 20 30 FGEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076936068 493991267 /nfs/dbraw/zinc/99/12/67/493991267.db2.gz NQNIKNMLDFZTBW-UHFFFAOYSA-N -1 1 357.435 3.324 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000076935885 493991327 /nfs/dbraw/zinc/99/13/27/493991327.db2.gz FVIJMSUDBMGPIL-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000076937428 493992575 /nfs/dbraw/zinc/99/25/75/493992575.db2.gz MIOKENBZDMMRBL-KGLIPLIRSA-N -1 1 354.497 3.249 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CCC#N)c2)c1 ZINC000070870530 494063240 /nfs/dbraw/zinc/06/32/40/494063240.db2.gz WZJBLMQABCZCIX-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1ccc(C(F)(F)F)cn1 ZINC000077865349 494194316 /nfs/dbraw/zinc/19/43/16/494194316.db2.gz SFNWLRRAEKWYGB-GFCCVEGCSA-N -1 1 357.295 3.171 20 30 FGEDMM C=C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000091161022 494544187 /nfs/dbraw/zinc/54/41/87/494544187.db2.gz WDHGYEFWQURURX-CYBMUJFWSA-N -1 1 362.426 3.496 20 30 FGEDMM COC(=O)COc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080453038 494709149 /nfs/dbraw/zinc/70/91/49/494709149.db2.gz ORZTZYLIPCBCJL-AWEZNQCLSA-N -1 1 358.419 3.308 20 30 FGEDMM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000108638971 494755414 /nfs/dbraw/zinc/75/54/14/494755414.db2.gz XSEXDUYPIDNHSX-UHFFFAOYSA-N -1 1 372.837 3.413 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000131907246 494770044 /nfs/dbraw/zinc/77/00/44/494770044.db2.gz JRUQPAHDONNDMA-UHFFFAOYSA-N -1 1 351.309 3.250 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000574302829 505742299 /nfs/dbraw/zinc/74/22/99/505742299.db2.gz PGGJCMDAVGVZTC-MRXNPFEDSA-N -1 1 355.401 3.377 20 30 FGEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000121824935 494868751 /nfs/dbraw/zinc/86/87/51/494868751.db2.gz WDJDTVWULSVAJZ-UHFFFAOYSA-N -1 1 373.724 3.199 20 30 FGEDMM Cc1ccc(NC(=O)C2(C#N)CCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000134604816 495174660 /nfs/dbraw/zinc/17/46/60/495174660.db2.gz WPWSBUWDSUUEQQ-UHFFFAOYSA-N -1 1 369.446 3.428 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000135357112 495281598 /nfs/dbraw/zinc/28/15/98/495281598.db2.gz JVIUTUFRJDZXMS-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000120427108 495375743 /nfs/dbraw/zinc/37/57/43/495375743.db2.gz DOPPCZMGUOZJSK-GFCCVEGCSA-N -1 1 371.393 3.392 20 30 FGEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(OCCCC#N)c3)ccc2O1 ZINC000106007269 495402209 /nfs/dbraw/zinc/40/22/09/495402209.db2.gz YGQMNZPKTHEZJJ-AWEZNQCLSA-N -1 1 372.446 3.493 20 30 FGEDMM COc1ccc(C#N)cc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000179955504 495798949 /nfs/dbraw/zinc/79/89/49/495798949.db2.gz VDZBEYXPHMMRCV-UHFFFAOYSA-N -1 1 357.435 3.237 20 30 FGEDMM CCN(C[C@@H](C)C#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000568936062 505811788 /nfs/dbraw/zinc/81/17/88/505811788.db2.gz BHQZUMCCIPIVDD-JTQLQIEISA-N -1 1 362.227 3.325 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3cccc(C)c3)nc(=O)c2c1C ZINC000155449313 495960067 /nfs/dbraw/zinc/96/00/67/495960067.db2.gz NSFLSHCYJNVYBW-CYBMUJFWSA-N -1 1 352.419 3.156 20 30 FGEDMM CC[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000183949219 496173252 /nfs/dbraw/zinc/17/32/52/496173252.db2.gz IZXLCKJLQSKXKX-INIZCTEOSA-N -1 1 371.462 3.218 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1[O-] ZINC000187935120 496623339 /nfs/dbraw/zinc/62/33/39/496623339.db2.gz QEWGXBNELGGSDG-UHFFFAOYSA-N -1 1 351.337 3.030 20 30 FGEDMM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188274252 496737640 /nfs/dbraw/zinc/73/76/40/496737640.db2.gz OCPXCWROJBHVQZ-ZDUSSCGKSA-N -1 1 356.447 3.431 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000329752580 497889970 /nfs/dbraw/zinc/88/99/70/497889970.db2.gz WHYHMFZORCFKGB-BFHYXJOUSA-N -1 1 366.483 3.495 20 30 FGEDMM COc1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc(Cl)c1[O-] ZINC000330882241 498211556 /nfs/dbraw/zinc/21/15/56/498211556.db2.gz OCIGEBQKSPDKBL-UHFFFAOYSA-N -1 1 354.834 3.006 20 30 FGEDMM N#CC1(CCS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)CCCCC1 ZINC000581595218 506024139 /nfs/dbraw/zinc/02/41/39/506024139.db2.gz BKQFFLDSLKYQDD-UHFFFAOYSA-N -1 1 358.467 3.033 20 30 FGEDMM N#CC1(CCS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)CCCCC1 ZINC000581595218 506024140 /nfs/dbraw/zinc/02/41/40/506024140.db2.gz BKQFFLDSLKYQDD-UHFFFAOYSA-N -1 1 358.467 3.033 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C2CCCCC2)no1 ZINC000331706817 498427420 /nfs/dbraw/zinc/42/74/20/498427420.db2.gz AOIYRJLDYNRZIJ-JTQLQIEISA-N -1 1 366.468 3.090 20 30 FGEDMM N#Cc1cnc2ccccc2c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290664437 498637089 /nfs/dbraw/zinc/63/70/89/498637089.db2.gz JYAOMPCINPVZTC-GFCCVEGCSA-N -1 1 362.355 3.001 20 30 FGEDMM N#C[C@@H]1N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC[C@]12CCCCO2 ZINC000370627987 499237207 /nfs/dbraw/zinc/23/72/07/499237207.db2.gz UBTBBRIUWXFERF-DOTOQJQBSA-N -1 1 368.355 3.478 20 30 FGEDMM C=C[C@@H]1OCC[C@H]1CN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000425264257 500059477 /nfs/dbraw/zinc/05/94/77/500059477.db2.gz OBTPJJJOYUHSCX-BQBZGAKWSA-N -1 1 357.195 3.349 20 30 FGEDMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)cc2F)cc1OC ZINC000417556656 500107969 /nfs/dbraw/zinc/10/79/69/500107969.db2.gz PHOYKAWCJBMDSH-INIZCTEOSA-N -1 1 358.369 3.020 20 30 FGEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1 ZINC000427281235 500377511 /nfs/dbraw/zinc/37/75/11/500377511.db2.gz OMMKLUROMOUDPM-UHFFFAOYSA-N -1 1 357.366 3.462 20 30 FGEDMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2s1 ZINC000427330621 500382033 /nfs/dbraw/zinc/38/20/33/500382033.db2.gz LXXJDGOEJQJMIA-UHFFFAOYSA-N -1 1 363.395 3.116 20 30 FGEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000432649866 500543571 /nfs/dbraw/zinc/54/35/71/500543571.db2.gz VXJXMYDLWXJHEQ-UHFFFAOYSA-N -1 1 372.450 3.117 20 30 FGEDMM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1nc2ccccc2s1 ZINC000442615810 500604833 /nfs/dbraw/zinc/60/48/33/500604833.db2.gz KHVDUVRLRCPFGI-OAHLLOKOSA-N -1 1 359.414 3.426 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)ccc1C#N ZINC000435753934 501022915 /nfs/dbraw/zinc/02/29/15/501022915.db2.gz CCTBRJIGUAGUOP-UHFFFAOYSA-N -1 1 357.435 3.262 20 30 FGEDMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000446621692 501143317 /nfs/dbraw/zinc/14/33/17/501143317.db2.gz BIVAXPCIKHOMPO-UHFFFAOYSA-N -1 1 364.448 3.416 20 30 FGEDMM C=CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000468404482 502047241 /nfs/dbraw/zinc/04/72/41/502047241.db2.gz WOUQQNNRNBWZIO-UHFFFAOYSA-N -1 1 362.426 3.323 20 30 FGEDMM C=CCOc1cc(OC)ccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000469068000 502284711 /nfs/dbraw/zinc/28/47/11/502284711.db2.gz VSIWAMDHGRDVKX-UHFFFAOYSA-N -1 1 355.419 3.386 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000462066917 502292771 /nfs/dbraw/zinc/29/27/71/502292771.db2.gz KYYRYVZDROMUQS-MRXNPFEDSA-N -1 1 358.423 3.374 20 30 FGEDMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475806197 502296446 /nfs/dbraw/zinc/29/64/46/502296446.db2.gz BONNLCKVLYERBI-UHFFFAOYSA-N -1 1 357.435 3.148 20 30 FGEDMM C=CCNc1ncc(C(=O)Nc2cc(C)cc(Br)c2[O-])s1 ZINC000483166169 502299381 /nfs/dbraw/zinc/29/93/81/502299381.db2.gz KHYFNGRYTWCZEK-UHFFFAOYSA-N -1 1 368.256 3.192 20 30 FGEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000480077053 502466150 /nfs/dbraw/zinc/46/61/50/502466150.db2.gz ZCYWRYOKASMYQF-INIZCTEOSA-N -1 1 368.380 3.400 20 30 FGEDMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)C(F)(F)F ZINC000489716772 503017665 /nfs/dbraw/zinc/01/76/65/503017665.db2.gz BKEMLFPTAXAUDM-LBPRGKRZSA-N -1 1 352.353 3.343 20 30 FGEDMM CC#CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000544581827 504181936 /nfs/dbraw/zinc/18/19/36/504181936.db2.gz MMIAGMLLUOPEOZ-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM COc1cc(-n2cccc2)c(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000546152247 504727919 /nfs/dbraw/zinc/72/79/19/504727919.db2.gz GVOGQRUKMDOSDQ-CYBMUJFWSA-N -1 1 352.781 3.419 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000589180326 506473410 /nfs/dbraw/zinc/47/34/10/506473410.db2.gz ZFWKMFKMLNCOHX-UHFFFAOYSA-N -1 1 359.389 3.111 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1 ZINC000589181097 506473940 /nfs/dbraw/zinc/47/39/40/506473940.db2.gz VRMIDFSILMDZNQ-UHFFFAOYSA-N -1 1 355.357 3.454 20 30 FGEDMM CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589186673 506475671 /nfs/dbraw/zinc/47/56/71/506475671.db2.gz LABDIFXKUQSUAW-UHFFFAOYSA-N -1 1 352.390 3.149 20 30 FGEDMM COC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc2ccccc21 ZINC000589522290 506577528 /nfs/dbraw/zinc/57/75/28/506577528.db2.gz HNRUGCAUBANHMD-HXUWFJFHSA-N -1 1 374.396 3.451 20 30 FGEDMM CSc1ccc([O-])c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 ZINC000597131845 506794733 /nfs/dbraw/zinc/79/47/33/506794733.db2.gz XXMXTZHXSRCSAK-UHFFFAOYSA-N -1 1 370.430 3.446 20 30 FGEDMM CCOCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000600449888 506959039 /nfs/dbraw/zinc/95/90/39/506959039.db2.gz WBVFJQQFEAMZBW-HXUWFJFHSA-N -1 1 350.418 3.430 20 30 FGEDMM N#CC[C@H]1CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC000597899679 507162830 /nfs/dbraw/zinc/16/28/30/507162830.db2.gz CBVUIIGREGPWIJ-LLVKDONJSA-N -1 1 374.238 3.469 20 30 FGEDMM C[C@H](C#N)N(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000598123790 507270495 /nfs/dbraw/zinc/27/04/95/507270495.db2.gz LUMZESSCKJIKIA-CQSZACIVSA-N -1 1 369.446 3.004 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000610511116 507271874 /nfs/dbraw/zinc/27/18/74/507271874.db2.gz CQCGINMVRKRRNQ-NEPJUHHUSA-N -1 1 364.364 3.344 20 30 FGEDMM COc1ccc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000614293870 507444488 /nfs/dbraw/zinc/44/44/88/507444488.db2.gz CRCBGMHCJFHGDN-QGZVFWFLSA-N -1 1 352.390 3.258 20 30 FGEDMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296570 507444964 /nfs/dbraw/zinc/44/49/64/507444964.db2.gz ITTLKIYHRGPKKV-ZDUSSCGKSA-N -1 1 351.406 3.178 20 30 FGEDMM COc1ccccc1COC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614373979 507484472 /nfs/dbraw/zinc/48/44/72/507484472.db2.gz NFEKGPZDDIGTLH-UHFFFAOYSA-N -1 1 366.417 3.094 20 30 FGEDMM COC1(CS(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)CCC1 ZINC000601975878 507535512 /nfs/dbraw/zinc/53/55/12/507535512.db2.gz MHFCOUDPDZIKPR-ZDUSSCGKSA-N -1 1 354.497 3.249 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c1 ZINC000643269748 568451658 /nfs/dbraw/zinc/45/16/58/568451658.db2.gz QPOGHQSTNBMZBQ-UHFFFAOYSA-N -1 1 354.431 3.463 20 30 FGEDMM N#Cc1ccc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nc1 ZINC000737717876 598854947 /nfs/dbraw/zinc/85/49/47/598854947.db2.gz BVICCCHJJFYUTQ-UHFFFAOYSA-N -1 1 359.418 3.474 20 30 FGEDMM COc1cccc(F)c1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000737133299 599149080 /nfs/dbraw/zinc/14/90/80/599149080.db2.gz ZMLGWLQEFGGTDJ-UHFFFAOYSA-N -1 1 373.392 3.037 20 30 FGEDMM CCc1nc(C)c(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000736700314 599220469 /nfs/dbraw/zinc/22/04/69/599220469.db2.gz UFIDNYFCQWYPOF-UHFFFAOYSA-N -1 1 374.474 3.316 20 30 FGEDMM COc1ccc([C@@H](NCc2cc(Cl)ccc2OCC#N)C(=O)[O-])cc1 ZINC000737970195 600318577 /nfs/dbraw/zinc/31/85/77/600318577.db2.gz INFGDALBWAOVKB-QGZVFWFLSA-N -1 1 360.797 3.166 20 30 FGEDMM N#Cc1ccc([C@H](NCc2ccccc2OCC(F)(F)F)C(=O)[O-])cc1 ZINC000739104760 600595998 /nfs/dbraw/zinc/59/59/98/600595998.db2.gz DEOLNPWTBXOXRZ-INIZCTEOSA-N -1 1 364.323 3.415 20 30 FGEDMM O=C([O-])c1ccc(C=NNc2nc(-c3ccccn3)nc3c2CCC3)cc1 ZINC000740123773 600981915 /nfs/dbraw/zinc/98/19/15/600981915.db2.gz NLGKEXOGLLUMHE-UHFFFAOYSA-N -1 1 359.389 3.172 20 30 FGEDMM C[C@H](NC(=O)[O-])C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000825286946 603962552 /nfs/dbraw/zinc/96/25/52/603962552.db2.gz GPNOHEQLLPESRD-ZDUSSCGKSA-N -1 1 354.372 3.425 20 30 FGEDMM COc1ccc2nc(NN=Cc3cccn3[C@@H](C)C(=O)[O-])c(C)cc2c1 ZINC000833734897 605287923 /nfs/dbraw/zinc/28/79/23/605287923.db2.gz JWLFWMSVIKPUDA-ZDUSSCGKSA-N -1 1 352.394 3.445 20 30 FGEDMM CCN(C)c1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821164555 606205892 /nfs/dbraw/zinc/20/58/92/606205892.db2.gz HNBPVUYLRLORDP-UHFFFAOYSA-N -1 1 368.445 3.270 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2F)o1 ZINC000824280266 607807687 /nfs/dbraw/zinc/80/76/87/607807687.db2.gz ICKPRKUQYPHMRS-UHFFFAOYSA-N -1 1 363.784 3.292 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2sc(Cl)nc2Cl)o1 ZINC000824352745 607887280 /nfs/dbraw/zinc/88/72/80/607887280.db2.gz LIZPDOKBZIJCIG-UHFFFAOYSA-N -1 1 373.229 3.187 20 30 FGEDMM Cc1cn2c(/C=C\C(=O)c3ccc(-c4nn[n-]n4)s3)c(C)nc2s1 ZINC000826317011 608093686 /nfs/dbraw/zinc/09/36/86/608093686.db2.gz IVGZWESIXNFMDK-ARJAWSKDSA-N -1 1 356.436 3.150 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400215 609442650 /nfs/dbraw/zinc/44/26/50/609442650.db2.gz SHOXUISKQNUFRV-GORDUTHDSA-N -1 1 361.770 3.386 20 30 FGEDMM C[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000023416077 695661726 /nfs/dbraw/zinc/66/17/26/695661726.db2.gz SKHMOIGJNRZLSI-NSHDSACASA-N -1 1 364.810 3.210 20 30 FGEDMM CC[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000084713105 700362078 /nfs/dbraw/zinc/36/20/78/700362078.db2.gz BNFCMNMVQLJQSO-HNNXBMFYSA-N -1 1 362.382 3.085 20 30 FGEDMM Cc1ocnc1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000105756490 700504500 /nfs/dbraw/zinc/50/45/00/700504500.db2.gz ZXKPJMVXEDSBOV-LLVKDONJSA-N -1 1 351.334 3.259 20 30 FGEDMM CS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1F ZINC000132700491 700830182 /nfs/dbraw/zinc/83/01/82/700830182.db2.gz UIQOVKMSVHWWTE-GORDUTHDSA-N -1 1 354.786 3.484 20 30 FGEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cnc2ccc(Br)cn12 ZINC000172513019 705421255 /nfs/dbraw/zinc/42/12/55/705421255.db2.gz YBLGKXHEJSQYRE-LHHJGKSTSA-N -1 1 357.163 3.419 20 30 FGEDMM Cc1ccc(-c2ncc(C=CC(=O)c3c([O-])cc(C)oc3=O)s2)cc1 ZINC000254925155 713677068 /nfs/dbraw/zinc/67/70/68/713677068.db2.gz BYDPVTUZNVEGDS-ZPUOCTKUSA-N -1 1 353.399 3.347 20 30 FGEDMM C=C[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000781580861 724576090 /nfs/dbraw/zinc/57/60/90/724576090.db2.gz GSTUBSHAJNUXFQ-NSHDSACASA-N -1 1 367.373 3.497 20 30 FGEDMM C=CCOCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000657148285 719574633 /nfs/dbraw/zinc/57/46/33/719574633.db2.gz VUYKMKYCPASAFT-UHFFFAOYSA-N -1 1 357.781 3.230 20 30 FGEDMM CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2C1 ZINC000783867573 724798266 /nfs/dbraw/zinc/79/82/66/724798266.db2.gz RBOADGGSWILDDX-OAHLLOKOSA-N -1 1 362.838 3.126 20 30 FGEDMM COc1ccc(CN=Nc2cccc(Cl)c2F)c(OCC(=O)[O-])c1 ZINC000734365895 722506535 /nfs/dbraw/zinc/50/65/35/722506535.db2.gz XBWCQNNVGLGUBF-UHFFFAOYSA-N -1 1 352.749 3.397 20 30 FGEDMM C#C[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000744180311 722574340 /nfs/dbraw/zinc/57/43/40/722574340.db2.gz YGJDUSPRAPZVIY-ZDUSSCGKSA-N -1 1 361.394 3.113 20 30 FGEDMM N#Cc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)ccc1Cl ZINC000754907179 722947792 /nfs/dbraw/zinc/94/77/92/722947792.db2.gz FQFKCHBEYLGOCH-UHFFFAOYSA-N -1 1 355.733 3.381 20 30 FGEDMM O=S1(=O)[N-]C(=NN=C2CCCc3c(Cl)cccc32)c2ccccc21 ZINC000758103089 722984331 /nfs/dbraw/zinc/98/43/31/722984331.db2.gz GFUOSLGLKUTOMD-UHFFFAOYSA-N -1 1 359.838 3.119 20 30 FGEDMM C#CCCc1noc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000762008322 723205980 /nfs/dbraw/zinc/20/59/80/723205980.db2.gz APHVNORPKTUZOG-UHFFFAOYSA-N -1 1 353.403 3.103 20 30 FGEDMM C#C[C@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000791205979 723220117 /nfs/dbraw/zinc/22/01/17/723220117.db2.gz YUSOROPWFXGCOX-MRXNPFEDSA-N -1 1 356.447 3.019 20 30 FGEDMM CC(C)n1ncc2cc(CN=Nc3ccc(C(=O)[O-])cn3)c(Cl)nc21 ZINC000763369820 723338182 /nfs/dbraw/zinc/33/81/82/723338182.db2.gz YAEWQDFJGVTGPU-UHFFFAOYSA-N -1 1 358.789 3.205 20 30 FGEDMM O=C1Nc2ccc(C(F)(F)F)cc2C1=N[N-]c1ncnc2ccsc21 ZINC000764840346 723451670 /nfs/dbraw/zinc/45/16/70/723451670.db2.gz GUUHIQPICBJMPN-UHFFFAOYSA-N -1 1 363.324 3.478 20 30 FGEDMM O=S1(=O)[N-]C(=NN=CC2CCC(C(F)(F)F)CC2)c2ccccc21 ZINC000767356139 723616031 /nfs/dbraw/zinc/61/60/31/723616031.db2.gz OAGUNRMKNVTNNL-UHFFFAOYSA-N -1 1 359.373 3.080 20 30 FGEDMM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc([O-])c(Cl)c1 ZINC000768764097 723666641 /nfs/dbraw/zinc/66/66/41/723666641.db2.gz QNYHTCFTLKGKLY-UHFFFAOYSA-N -1 1 352.843 3.365 20 30 FGEDMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000773578037 723802904 /nfs/dbraw/zinc/80/29/04/723802904.db2.gz DTDSEQZCLQSGML-VIFPVBQESA-N -1 1 362.744 3.240 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(C)C ZINC000798472641 723935374 /nfs/dbraw/zinc/93/53/74/723935374.db2.gz PQPGQKSSDBNYNA-NSHDSACASA-N -1 1 368.655 3.178 20 30 FGEDMM CS(=O)(=O)c1cccc(NN=Cc2cccc(Br)c2[O-])c1 ZINC000776260353 724125049 /nfs/dbraw/zinc/12/50/49/724125049.db2.gz AVAHPBLDDJJDIB-UHFFFAOYSA-N -1 1 369.240 3.004 20 30 FGEDMM CO[C@@H](C)c1nsc([N-]C(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC000800989365 724257861 /nfs/dbraw/zinc/25/78/61/724257861.db2.gz CSALTINHLOWWEK-JTQLQIEISA-N -1 1 357.395 3.062 20 30 FGEDMM Cn1nc(C(F)(F)F)c(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)c1Cl ZINC000806558498 725133367 /nfs/dbraw/zinc/13/33/67/725133367.db2.gz DYKQBLQHBFXVCE-SNAWJCMRSA-N -1 1 374.702 3.392 20 30 FGEDMM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1c([O-])cccc1F ZINC000819430175 727374823 /nfs/dbraw/zinc/37/48/23/727374823.db2.gz BTDRSSUWPGUAHV-LBPRGKRZSA-N -1 1 351.378 3.057 20 30 FGEDMM N#C[C@H](C(=O)CSC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835041131 729852171 /nfs/dbraw/zinc/85/21/71/729852171.db2.gz VTWQUQOMIPLTGO-MRVPVSSYSA-N -1 1 369.418 3.408 20 30 FGEDMM C#CC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000849344070 731250843 /nfs/dbraw/zinc/25/08/43/731250843.db2.gz AXMXAEGJXGNXDO-ABAIWWIYSA-N -1 1 354.219 3.449 20 30 FGEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000859426466 732327116 /nfs/dbraw/zinc/32/71/16/732327116.db2.gz SFSBVGWTPBVXDM-JTQLQIEISA-N -1 1 370.685 3.354 20 30 FGEDMM Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000916242703 758056013 /nfs/dbraw/zinc/05/60/13/758056013.db2.gz YSJJFVUKWJOKJC-UHFFFAOYSA-N -1 1 356.817 3.143 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCC)cc2)c1 ZINC000917726259 758262164 /nfs/dbraw/zinc/26/21/64/758262164.db2.gz AGLYDNXYNSKFLG-UHFFFAOYSA-N -1 1 358.463 3.356 20 30 FGEDMM CCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000068241479 493783183 /nfs/dbraw/zinc/78/31/83/493783183.db2.gz ZIAPSSJQQINESE-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM COc1ccc(C(=O)CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1F ZINC000081709813 493944041 /nfs/dbraw/zinc/94/40/41/493944041.db2.gz QGVUWUUSCXBRJD-UHFFFAOYSA-N -1 1 360.267 3.222 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000076935943 493991599 /nfs/dbraw/zinc/99/15/99/493991599.db2.gz KJLYZTYBFISFLZ-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007052708 493997422 /nfs/dbraw/zinc/99/74/22/493997422.db2.gz DZNLJKSXSLTZLV-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000063747564 494082988 /nfs/dbraw/zinc/08/29/88/494082988.db2.gz OQLLBPWSZIBRGI-ZDUSSCGKSA-N -1 1 373.482 3.015 20 30 FGEDMM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000041545888 494167227 /nfs/dbraw/zinc/16/72/27/494167227.db2.gz SYLPRIKAKGNRBF-GFCCVEGCSA-N -1 1 352.346 3.344 20 30 FGEDMM C=CCCO[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000066315095 494310236 /nfs/dbraw/zinc/31/02/36/494310236.db2.gz WMOUTMRYDLMKNI-HNNXBMFYSA-N -1 1 374.462 3.407 20 30 FGEDMM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043997230 494333902 /nfs/dbraw/zinc/33/39/02/494333902.db2.gz MOUBQJJWQZIYPN-SECBINFHSA-N -1 1 353.304 3.003 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000066585727 494359918 /nfs/dbraw/zinc/35/99/18/494359918.db2.gz HQIZNFOHFNSFDP-UHFFFAOYSA-N -1 1 358.810 3.198 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000055580926 494365878 /nfs/dbraw/zinc/36/58/78/494365878.db2.gz YCYZTGANDGUFTH-UHFFFAOYSA-N -1 1 363.414 3.242 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCC#N)ccc2C)c1 ZINC000067509323 494554959 /nfs/dbraw/zinc/55/49/59/494554959.db2.gz OGMBKRPGRDKPMF-UHFFFAOYSA-N -1 1 371.462 3.090 20 30 FGEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000121371902 494724402 /nfs/dbraw/zinc/72/44/02/494724402.db2.gz BGWJFOVBYYPVLH-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000026547682 494831720 /nfs/dbraw/zinc/83/17/20/494831720.db2.gz QZOBHUIAYRAICQ-UHFFFAOYSA-N -1 1 372.446 3.465 20 30 FGEDMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000109713448 494911198 /nfs/dbraw/zinc/91/11/98/494911198.db2.gz BTTNLEQOZBLWHM-VIFPVBQESA-N -1 1 374.388 3.024 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1F ZINC000102862257 495167971 /nfs/dbraw/zinc/16/79/71/495167971.db2.gz LAYCJKLUDCHNRT-UHFFFAOYSA-N -1 1 360.288 3.397 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(OCC(F)(F)F)n1 ZINC000123806536 495189702 /nfs/dbraw/zinc/18/97/02/495189702.db2.gz TXQOXTWAMRCWGR-LLVKDONJSA-N -1 1 374.322 3.399 20 30 FGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000104765927 495304551 /nfs/dbraw/zinc/30/45/51/495304551.db2.gz NMPQCYIAELLAFT-UHFFFAOYSA-N -1 1 359.838 3.466 20 30 FGEDMM N#CC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCCC1 ZINC000124742245 495335974 /nfs/dbraw/zinc/33/59/74/495335974.db2.gz ZGFCAVSPCUNZEW-UHFFFAOYSA-N -1 1 369.446 3.054 20 30 FGEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673726 495407592 /nfs/dbraw/zinc/40/75/92/495407592.db2.gz XWKOKLUPIYNUBZ-CQSZACIVSA-N -1 1 371.462 3.196 20 30 FGEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673519 495407734 /nfs/dbraw/zinc/40/77/34/495407734.db2.gz UDDGLPLIUDRHLC-UHFFFAOYSA-N -1 1 357.435 3.324 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000146754422 495569362 /nfs/dbraw/zinc/56/93/62/495569362.db2.gz UABPYXMBSGVCFZ-JTQLQIEISA-N -1 1 365.798 3.159 20 30 FGEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1OC ZINC000183055947 495816213 /nfs/dbraw/zinc/81/62/13/495816213.db2.gz FDANWUDLYBGVAS-UHFFFAOYSA-N -1 1 370.789 3.169 20 30 FGEDMM COCc1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000171336719 495827053 /nfs/dbraw/zinc/82/70/53/495827053.db2.gz DSQUAHSVFZSFCW-UHFFFAOYSA-N -1 1 360.435 3.316 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(F)cc3F)nc(=O)c2c1C ZINC000155447562 495958725 /nfs/dbraw/zinc/95/87/25/495958725.db2.gz MSVNSUBEAXFOTL-SNVBAGLBSA-N -1 1 374.372 3.126 20 30 FGEDMM N#C[C@]1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCc2ccccc2C1 ZINC000187075562 496282024 /nfs/dbraw/zinc/28/20/24/496282024.db2.gz PRDJGBIZTMALIB-KRWDZBQOSA-N -1 1 364.829 3.209 20 30 FGEDMM CC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000162048669 496287017 /nfs/dbraw/zinc/28/70/17/496287017.db2.gz ZGQNYTFTVDUGSW-LJQANCHMSA-N -1 1 371.462 3.218 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)ccc1Cl ZINC000178190780 496363197 /nfs/dbraw/zinc/36/31/97/496363197.db2.gz GWLPMAXTBYDISE-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000578008008 505840395 /nfs/dbraw/zinc/84/03/95/505840395.db2.gz OMPKCJNDOHQDRE-UHFFFAOYSA-N -1 1 352.774 3.354 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000184835132 496550023 /nfs/dbraw/zinc/55/00/23/496550023.db2.gz CWAZRJUZBISGGA-UHFFFAOYSA-N -1 1 364.398 3.294 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1[O-] ZINC000188427419 496786875 /nfs/dbraw/zinc/78/68/75/496786875.db2.gz KEDAXDOXBZTVEY-UHFFFAOYSA-N -1 1 352.234 3.221 20 30 FGEDMM CCc1cc(=O)[n-]c(SCc2cc(C#N)ccc2Br)n1 ZINC000195058020 496807420 /nfs/dbraw/zinc/80/74/20/496807420.db2.gz HGXWORHLQCPWFT-UHFFFAOYSA-N -1 1 350.241 3.259 20 30 FGEDMM C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188572926 496836346 /nfs/dbraw/zinc/83/63/46/496836346.db2.gz UACQUPOPRNOOHG-CQSZACIVSA-N -1 1 369.852 3.436 20 30 FGEDMM Cc1cc(Br)cc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000230224605 497103227 /nfs/dbraw/zinc/10/32/27/497103227.db2.gz MMBWOCLVYABBAJ-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000191008673 497681798 /nfs/dbraw/zinc/68/17/98/497681798.db2.gz RRWFBPAMTNQUIJ-NSHDSACASA-N -1 1 359.223 3.387 20 30 FGEDMM N#Cc1cccc(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000301285228 498037746 /nfs/dbraw/zinc/03/77/46/498037746.db2.gz QGFHHFCOQRNNFC-UHFFFAOYSA-N -1 1 364.430 3.366 20 30 FGEDMM COc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)cc(Cl)c1[O-] ZINC000331281442 498292217 /nfs/dbraw/zinc/29/22/17/498292217.db2.gz QXDCESNFQVXXML-WCQYABFASA-N -1 1 368.861 3.442 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@@H](C)[C@@H](C)CC4)nn21 ZINC000297987221 498630092 /nfs/dbraw/zinc/63/00/92/498630092.db2.gz XNGWMPFDXGBBAP-ONGXEEELSA-N -1 1 366.450 3.304 20 30 FGEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3c([O-])cnc4ccccc43)CCO2)c1 ZINC000371258639 499303302 /nfs/dbraw/zinc/30/33/02/499303302.db2.gz PCSRWXZURKOYNG-IBGZPJMESA-N -1 1 359.385 3.026 20 30 FGEDMM N#Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c(F)c1 ZINC000376421945 499607599 /nfs/dbraw/zinc/60/75/99/499607599.db2.gz RIDPBNXTQKGQCC-UHFFFAOYSA-N -1 1 358.344 3.226 20 30 FGEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]n1 ZINC000410325779 499654990 /nfs/dbraw/zinc/65/49/90/499654990.db2.gz LSBJTFURILCWSL-UHFFFAOYSA-N -1 1 372.372 3.299 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000579363174 506156680 /nfs/dbraw/zinc/15/66/80/506156680.db2.gz HGPNGCQBWKPROM-UHFFFAOYSA-N -1 1 369.299 3.389 20 30 FGEDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000421160336 499976898 /nfs/dbraw/zinc/97/68/98/499976898.db2.gz VMANXPYPFNNLEY-CYBMUJFWSA-N -1 1 364.389 3.380 20 30 FGEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000413984462 500116156 /nfs/dbraw/zinc/11/61/56/500116156.db2.gz IRJWMBVNVNDARH-INIZCTEOSA-N -1 1 371.506 3.449 20 30 FGEDMM C=C[C@](C)(O)CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000431729114 500415976 /nfs/dbraw/zinc/41/59/76/500415976.db2.gz ZOVCANNATWJAMX-IBGZPJMESA-N -1 1 374.462 3.061 20 30 FGEDMM C=CCCCS(=O)(=O)[N-]c1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000427790365 500433176 /nfs/dbraw/zinc/43/31/76/500433176.db2.gz SGIRCUWMQSQHGK-UHFFFAOYSA-N -1 1 360.435 3.228 20 30 FGEDMM C=CCSc1ccccc1NC(=O)CSc1nc(C(=O)OC)c[n-]1 ZINC000432659237 500544922 /nfs/dbraw/zinc/54/49/22/500544922.db2.gz RMWSHKAGKULRMJ-UHFFFAOYSA-N -1 1 363.464 3.205 20 30 FGEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000437000501 500590141 /nfs/dbraw/zinc/59/01/41/500590141.db2.gz UKEVRKSRVIUXDS-QGZVFWFLSA-N -1 1 373.815 3.207 20 30 FGEDMM N#Cc1ccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)cc1[O-] ZINC000442890894 500642233 /nfs/dbraw/zinc/64/22/33/500642233.db2.gz BKHJVDQDPHUZCO-UHFFFAOYSA-N -1 1 357.822 3.499 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1[O-] ZINC000443124171 500684087 /nfs/dbraw/zinc/68/40/87/500684087.db2.gz AHTUPCXEXRPODJ-UHFFFAOYSA-N -1 1 354.431 3.030 20 30 FGEDMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443415442 500721719 /nfs/dbraw/zinc/72/17/19/500721719.db2.gz HTZFNNUBHIDWPR-UHFFFAOYSA-N -1 1 372.324 3.092 20 30 FGEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435594851 500997963 /nfs/dbraw/zinc/99/79/63/500997963.db2.gz BXYALIZQEXATCG-RNCFNFMXSA-N -1 1 368.257 3.392 20 30 FGEDMM C[C@@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000467938227 501909931 /nfs/dbraw/zinc/90/99/31/501909931.db2.gz NBXAFQZEJNCHKJ-NSHDSACASA-N -1 1 363.826 3.239 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000465148365 502202261 /nfs/dbraw/zinc/20/22/61/502202261.db2.gz QLLDSBXKGGDTAQ-AWEZNQCLSA-N -1 1 374.462 3.190 20 30 FGEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2CC#N)[nH]n1 ZINC000475807196 502296311 /nfs/dbraw/zinc/29/63/11/502296311.db2.gz CSASEEOUUGNXLR-UHFFFAOYSA-N -1 1 352.419 3.252 20 30 FGEDMM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2F)c1 ZINC000475822364 502300897 /nfs/dbraw/zinc/30/08/97/502300897.db2.gz USMODWWCBOCFHD-UHFFFAOYSA-N -1 1 370.409 3.187 20 30 FGEDMM N#Cc1cc(F)cc(C2(C(=O)N=c3cc(-c4cccs4)[n-][nH]3)CC2)c1 ZINC000487571604 502482646 /nfs/dbraw/zinc/48/26/46/502482646.db2.gz XNGWAQPRNYUUHC-UHFFFAOYSA-N -1 1 352.394 3.241 20 30 FGEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000592974466 506316927 /nfs/dbraw/zinc/31/69/27/506316927.db2.gz YHEZYYRSRQDRRN-LBPRGKRZSA-N -1 1 354.366 3.416 20 30 FGEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1-c1ccnn1C ZINC000509850600 502998504 /nfs/dbraw/zinc/99/85/04/502998504.db2.gz LYJRSSXSXXBVFL-CQSZACIVSA-N -1 1 352.419 3.351 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[O-] ZINC000506593081 503140628 /nfs/dbraw/zinc/14/06/28/503140628.db2.gz CALHRXBOAGOXMG-LJQANCHMSA-N -1 1 356.809 3.049 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000511742478 503378886 /nfs/dbraw/zinc/37/88/86/503378886.db2.gz QOAMGECBKDCLNY-UHFFFAOYSA-N -1 1 363.435 3.378 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2CC)n1 ZINC000517915885 503866664 /nfs/dbraw/zinc/86/66/64/503866664.db2.gz SURFNILAYXVTIH-NSHDSACASA-N -1 1 360.439 3.150 20 30 FGEDMM COC(=O)c1cccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1C#N ZINC000535164111 504360794 /nfs/dbraw/zinc/36/07/94/504360794.db2.gz ZGBJGPHGYHWZET-UHFFFAOYSA-N -1 1 369.324 3.152 20 30 FGEDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000542518459 504522506 /nfs/dbraw/zinc/52/25/06/504522506.db2.gz UFKNUAGACFTWGV-UHFFFAOYSA-N -1 1 352.847 3.407 20 30 FGEDMM COC(=O)c1c[n-]c(SCc2ccc(Br)cc2C#N)n1 ZINC000553768971 505003770 /nfs/dbraw/zinc/00/37/70/505003770.db2.gz XQBGPFCXMKCJEJ-UHFFFAOYSA-N -1 1 352.213 3.123 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000563738338 505224425 /nfs/dbraw/zinc/22/44/25/505224425.db2.gz IUFUPPBRHLUTAZ-GOSISDBHSA-N -1 1 356.378 3.358 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(c2ccccc2)c2ccccc2)o1 ZINC000557791553 505232694 /nfs/dbraw/zinc/23/26/94/505232694.db2.gz QEWKAONVOPICKD-UHFFFAOYSA-N -1 1 352.415 3.262 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000561477137 505357120 /nfs/dbraw/zinc/35/71/20/505357120.db2.gz JBEJUPNJHOPGQU-SFHVURJKSA-N -1 1 352.415 3.414 20 30 FGEDMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000561562512 505379198 /nfs/dbraw/zinc/37/91/98/505379198.db2.gz YEYJGKAAQAZGHL-FVMDXXJSSA-N -1 1 366.801 3.151 20 30 FGEDMM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F ZINC000599417702 506448335 /nfs/dbraw/zinc/44/83/35/506448335.db2.gz OUPXCHDQKHPHAK-LBPRGKRZSA-N -1 1 356.419 3.165 20 30 FGEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000593192125 506453951 /nfs/dbraw/zinc/45/39/51/506453951.db2.gz PBYVAMDVXOQBLZ-UHFFFAOYSA-N -1 1 372.446 3.450 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000593201581 506459666 /nfs/dbraw/zinc/45/96/66/506459666.db2.gz ZJBHEJAAHCZUFX-UHFFFAOYSA-N -1 1 359.455 3.031 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000589169534 506469332 /nfs/dbraw/zinc/46/93/32/506469332.db2.gz ZBGOSNYYQFTOHZ-SFHVURJKSA-N -1 1 370.412 3.008 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c(F)c1 ZINC000599502660 506475356 /nfs/dbraw/zinc/47/53/56/506475356.db2.gz DSEAZCUONCOBNZ-UHFFFAOYSA-N -1 1 350.337 3.098 20 30 FGEDMM CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589194434 506477227 /nfs/dbraw/zinc/47/72/27/506477227.db2.gz UXZYKRHGYHWBPT-UHFFFAOYSA-N -1 1 371.824 3.408 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000589195498 506479209 /nfs/dbraw/zinc/47/92/09/506479209.db2.gz AMUJMXSSEGKRBF-UHFFFAOYSA-N -1 1 371.396 3.446 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c2cccnc12 ZINC000589586809 506593270 /nfs/dbraw/zinc/59/32/70/506593270.db2.gz CRPMXALAOKJOPI-UHFFFAOYSA-N -1 1 353.403 3.110 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000598016954 507218845 /nfs/dbraw/zinc/21/88/45/507218845.db2.gz VEDFKRHTBUJCKR-HXUWFJFHSA-N -1 1 370.836 3.439 20 30 FGEDMM COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cc([O-])cc(C#N)c1)C2 ZINC000591541569 507283462 /nfs/dbraw/zinc/28/34/62/507283462.db2.gz AWYQUXHROLXKND-UHFFFAOYSA-N -1 1 352.390 3.086 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000614369900 507482504 /nfs/dbraw/zinc/48/25/04/507482504.db2.gz PJPOBFNXFOBOQM-MOPGFXCFSA-N -1 1 352.390 3.198 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N)C(C)C ZINC000592351017 507613225 /nfs/dbraw/zinc/61/32/25/507613225.db2.gz MDYPIHOPLAQJEJ-UKRRQHHQSA-N -1 1 356.513 3.494 20 30 FGEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nnn(C(C)(C)C)n3)c(C#N)c2[C@@H]1C ZINC000598843366 507633322 /nfs/dbraw/zinc/63/33/22/507633322.db2.gz DNLPXSDEPDEHSZ-NXEZZACHSA-N -1 1 358.471 3.299 20 30 FGEDMM N#CC(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000833063642 601237007 /nfs/dbraw/zinc/23/70/07/601237007.db2.gz KOPYBHOBXFCHCI-SDDRHHMPSA-N -1 1 361.348 3.499 20 30 FGEDMM N#Cc1cccc([C@H](NCc2ccccc2OC(F)(F)F)C(=O)[O-])c1 ZINC000833076374 601298931 /nfs/dbraw/zinc/29/89/31/601298931.db2.gz UQPSXCFJONBRQM-HNNXBMFYSA-N -1 1 350.296 3.372 20 30 FGEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc(C)c1OCC(=O)[O-] ZINC000832859850 601499769 /nfs/dbraw/zinc/49/97/69/601499769.db2.gz ZNTWFFKIEUVJDG-CQSZACIVSA-N -1 1 364.357 3.398 20 30 FGEDMM Cc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(C)c1OCC(=O)[O-] ZINC000832859850 601499771 /nfs/dbraw/zinc/49/97/71/601499771.db2.gz ZNTWFFKIEUVJDG-CQSZACIVSA-N -1 1 364.357 3.398 20 30 FGEDMM N#CC(C(=O)c1ccc(CNC(=O)[O-])o1)c1nc2ccccc2n1C(F)F ZINC000831064056 604224648 /nfs/dbraw/zinc/22/46/48/604224648.db2.gz BQECRBBPYHXXQE-JTQLQIEISA-N -1 1 374.303 3.282 20 30 FGEDMM N#Cc1cccc(OC2CCN(Cc3ccc(NC(=O)[O-])nc3)CC2)c1 ZINC000833976315 605532439 /nfs/dbraw/zinc/53/24/39/605532439.db2.gz LSKAAGKENMXCMR-UHFFFAOYSA-N -1 1 352.394 3.087 20 30 FGEDMM O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(-c2nn[n-]n2)s1 ZINC000826400426 608093700 /nfs/dbraw/zinc/09/37/00/608093700.db2.gz YVIHGVMSYYUJDE-UPHRSURJSA-N -1 1 362.827 3.187 20 30 FGEDMM COc1cc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)ccc1F ZINC000826177756 608228944 /nfs/dbraw/zinc/22/89/44/608228944.db2.gz UFROWALQAZBAGV-UHFFFAOYSA-N -1 1 373.392 3.037 20 30 FGEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2)nc(C)n1 ZINC000049407345 695894416 /nfs/dbraw/zinc/89/44/16/695894416.db2.gz IKYNTGBWSKYCGE-INIZCTEOSA-N -1 1 351.797 3.423 20 30 FGEDMM [O-]C(=Cc1csc(COc2ccc(Cl)cc2)n1)NC1=NCCS1 ZINC000053160776 695927583 /nfs/dbraw/zinc/92/75/83/695927583.db2.gz SPFKUUPZKRWRNH-UHFFFAOYSA-N -1 1 367.883 3.137 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)c1 ZINC000109425628 700534975 /nfs/dbraw/zinc/53/49/75/700534975.db2.gz AXKFTEIJQFQDTB-UHFFFAOYSA-N -1 1 363.389 3.237 20 30 FGEDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179027888 705685582 /nfs/dbraw/zinc/68/55/82/705685582.db2.gz YOWXOWVMOMCKNO-UHFFFAOYSA-N -1 1 358.419 3.234 20 30 FGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCCCC#N)cc1 ZINC000180129428 705729133 /nfs/dbraw/zinc/72/91/33/705729133.db2.gz GBYNGXQQIHOTFE-UHFFFAOYSA-N -1 1 358.419 3.256 20 30 FGEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617037745 714624632 /nfs/dbraw/zinc/62/46/32/714624632.db2.gz QEKPQBILTWSLFB-UONOGXRCSA-N -1 1 368.499 3.221 20 30 FGEDMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461646 714838493 /nfs/dbraw/zinc/83/84/93/714838493.db2.gz JTRJCDUZUGPXAB-UHFFFAOYSA-N -1 1 357.435 3.148 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c1 ZINC000619555648 714852415 /nfs/dbraw/zinc/85/24/15/714852415.db2.gz YLWPXKMCTYUABH-JKSUJKDBSA-N -1 1 357.207 3.312 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=C2CCc3c2cc(Br)cc3F)n1 ZINC000727779689 722447332 /nfs/dbraw/zinc/44/73/32/722447332.db2.gz PPAFJZXHQBUGHO-UHFFFAOYSA-N -1 1 351.179 3.155 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000730996543 722472482 /nfs/dbraw/zinc/47/24/82/722472482.db2.gz UNKVPNAJRJXERC-UHFFFAOYSA-N -1 1 366.782 3.061 20 30 FGEDMM C[C@H]1CC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccsc2S1 ZINC000743435389 722567487 /nfs/dbraw/zinc/56/74/87/722567487.db2.gz FIPRHTPCFJRUHT-VIFPVBQESA-N -1 1 363.489 3.075 20 30 FGEDMM Cc1cc2cc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)oc2cc1C ZINC000749809279 722742930 /nfs/dbraw/zinc/74/29/30/722742930.db2.gz DSRXILDGSFCLER-UHFFFAOYSA-N -1 1 353.403 3.122 20 30 FGEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(F)c(Cl)c2Cl)c2ccccc21 ZINC000761781500 723183272 /nfs/dbraw/zinc/18/32/72/723183272.db2.gz LKBDIMLAHVCRDV-UHFFFAOYSA-N -1 1 372.208 3.205 20 30 FGEDMM C#CCCc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)n1 ZINC000762015680 723206876 /nfs/dbraw/zinc/20/68/76/723206876.db2.gz BLWRVEWPGGJAGP-UHFFFAOYSA-N -1 1 353.403 3.103 20 30 FGEDMM COc1sc(C=NNc2ccc(C(=O)[O-])cn2)cc1Br ZINC000763368035 723337592 /nfs/dbraw/zinc/33/75/92/723337592.db2.gz JDOCOWLXBWZXHN-UHFFFAOYSA-N -1 1 356.201 3.058 20 30 FGEDMM N#Cc1ccc(C2(C(=O)NCc3cccc(Br)c3[O-])CC2)cc1 ZINC000765752570 723538190 /nfs/dbraw/zinc/53/81/90/723538190.db2.gz XRKPUOYFHHIIJO-UHFFFAOYSA-N -1 1 371.234 3.374 20 30 FGEDMM C#CCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000770242832 723709429 /nfs/dbraw/zinc/70/94/29/723709429.db2.gz BAQBVSXZOOLZKX-UHFFFAOYSA-N -1 1 357.056 3.058 20 30 FGEDMM Cc1cc(=O)[n-]c(NN=C2CCCOc3ccc(Br)cc32)n1 ZINC000819839842 728947428 /nfs/dbraw/zinc/94/74/28/728947428.db2.gz SFIVCEBMUUIZFU-UHFFFAOYSA-N -1 1 363.215 3.242 20 30 FGEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000815613088 727086198 /nfs/dbraw/zinc/08/61/98/727086198.db2.gz FWRAGYKNBMAMQC-GFCCVEGCSA-N -1 1 362.298 3.138 20 30 FGEDMM N#CCCC[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000817320092 727240042 /nfs/dbraw/zinc/24/00/42/727240042.db2.gz XHKFYVMDMXJHJI-HNNXBMFYSA-N -1 1 351.435 3.183 20 30 FGEDMM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(F)cc1[O-] ZINC000819431914 727374904 /nfs/dbraw/zinc/37/49/04/727374904.db2.gz ZVIKQCDBGHPMNW-ZDUSSCGKSA-N -1 1 351.378 3.057 20 30 FGEDMM N#C[C@@]1([N-]C(=O)C(F)(F)c2ccccc2Br)CCSC1 ZINC000822913453 729231591 /nfs/dbraw/zinc/23/15/91/729231591.db2.gz WXXVBQWEZHKPOA-LBPRGKRZSA-N -1 1 361.211 3.056 20 30 FGEDMM C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H](C)O1 ZINC000834956473 729847866 /nfs/dbraw/zinc/84/78/66/729847866.db2.gz VDVXTNWOTYAHPA-ZIAGYGMSSA-N -1 1 359.451 3.453 20 30 FGEDMM COCC(C)=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000845436952 730849447 /nfs/dbraw/zinc/84/94/47/730849447.db2.gz AORJPKXRUZOTLQ-PMDBQALLSA-N -1 1 357.435 3.045 20 30 FGEDMM C=CCN(CC(=O)[O-])Cc1cc(Br)ccc1OC(F)F ZINC000846263693 730941763 /nfs/dbraw/zinc/94/17/63/730941763.db2.gz SJJYKBZQZFVLIR-UHFFFAOYSA-N -1 1 350.159 3.123 20 30 FGEDMM CCS(=O)(=O)N(C)c1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866393094 733342776 /nfs/dbraw/zinc/34/27/76/733342776.db2.gz MGVCJQWQXGENPY-ZDUSSCGKSA-N -1 1 359.451 3.223 20 30 FGEDMM CCS(=O)(=O)N(C)c1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866393093 733342837 /nfs/dbraw/zinc/34/28/37/733342837.db2.gz MGVCJQWQXGENPY-CYBMUJFWSA-N -1 1 359.451 3.223 20 30 FGEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C2CC2)cc1 ZINC000901973381 743689706 /nfs/dbraw/zinc/68/97/06/743689706.db2.gz SDLKBLGLWVUWPT-UHFFFAOYSA-N -1 1 356.447 3.425 20 30 FGEDMM C[C@H]1[C@@](C)(C=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)[C@@]1(F)Cl ZINC000905449412 744022856 /nfs/dbraw/zinc/02/28/56/744022856.db2.gz WAHSURCRNIMTCZ-PVJOKMEKSA-N -1 1 354.817 3.245 20 30 FGEDMM [O-]c1c(Br)cccc1C=NN1C(=S)N=NC1c1ccco1 ZINC000915947191 758009690 /nfs/dbraw/zinc/00/96/90/758009690.db2.gz IRXSNVNEGYQLRV-UHFFFAOYSA-N -1 1 365.212 3.177 20 30 FGEDMM N#Cc1ccc(N2CCC(C(=O)Nc3cccc(F)c3[O-])CC2)c(F)c1 ZINC000530006834 503789427 /nfs/dbraw/zinc/78/94/27/503789427.db2.gz VHNYLVQYGJOJDO-UHFFFAOYSA-N -1 1 357.360 3.397 20 30 FGEDMM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc2ccccc2[nH]1 ZINC000048813632 493847788 /nfs/dbraw/zinc/84/77/88/493847788.db2.gz GHXPLUFSEJJAHY-CQSZACIVSA-N -1 1 372.344 3.147 20 30 FGEDMM COc1ccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)o3)CCCCC2)cc1 ZINC000574063031 505685298 /nfs/dbraw/zinc/68/52/98/505685298.db2.gz GBVDLSLOGHXNQV-UHFFFAOYSA-N -1 1 374.462 3.340 20 30 FGEDMM N#Cc1ccccc1N1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000076380499 493879046 /nfs/dbraw/zinc/87/90/46/493879046.db2.gz ZFGSGBIBFUWIAO-UHFFFAOYSA-N -1 1 355.825 3.270 20 30 FGEDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000030530238 493894941 /nfs/dbraw/zinc/89/49/41/493894941.db2.gz GLJCTOSZVVEEBH-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000031402843 493942217 /nfs/dbraw/zinc/94/22/17/493942217.db2.gz OTNQBKKHDFWMKI-UHFFFAOYSA-N -1 1 359.788 3.019 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000076937471 493992205 /nfs/dbraw/zinc/99/22/05/493992205.db2.gz IUVDWYDDCJWSNC-KGLIPLIRSA-N -1 1 354.497 3.392 20 30 FGEDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1OCC ZINC000063878641 494096444 /nfs/dbraw/zinc/09/64/44/494096444.db2.gz GZZDBSFJSFFJTM-UHFFFAOYSA-N -1 1 360.435 3.465 20 30 FGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000063878442 494096576 /nfs/dbraw/zinc/09/65/76/494096576.db2.gz MQKTXKMJGDZEFD-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1 ZINC000078238900 494260059 /nfs/dbraw/zinc/26/00/59/494260059.db2.gz WDATVECVCWUFGU-UHFFFAOYSA-N -1 1 362.426 3.159 20 30 FGEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055589431 494367668 /nfs/dbraw/zinc/36/76/68/494367668.db2.gz HEUYDAQSSKJNFD-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1C ZINC000055615268 494373128 /nfs/dbraw/zinc/37/31/28/494373128.db2.gz KDBXDHUJKJFMTM-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000055619331 494374368 /nfs/dbraw/zinc/37/43/68/494374368.db2.gz SUKCFYUUQYGONA-UHFFFAOYSA-N -1 1 374.462 3.190 20 30 FGEDMM CCc1ccccc1N1C[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1=O ZINC000026254810 494812773 /nfs/dbraw/zinc/81/27/73/494812773.db2.gz HLKJVSUIRGKXKV-JTQLQIEISA-N -1 1 367.331 3.027 20 30 FGEDMM C=CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000116858634 494863454 /nfs/dbraw/zinc/86/34/54/494863454.db2.gz NHQRTMCMVSJCEE-ZDUSSCGKSA-N -1 1 362.426 3.321 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000121974776 494901340 /nfs/dbraw/zinc/90/13/40/494901340.db2.gz GFHDIDQNTACOIL-SNVBAGLBSA-N -1 1 374.372 3.126 20 30 FGEDMM N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cncc([O-])c3)c2)c1 ZINC000111573492 495088754 /nfs/dbraw/zinc/08/87/54/495088754.db2.gz ZMAOJDKBWQWJPG-UHFFFAOYSA-N -1 1 358.357 3.163 20 30 FGEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1 ZINC000580614249 505797167 /nfs/dbraw/zinc/79/71/67/505797167.db2.gz WCHHSZVVFCHVAJ-UHFFFAOYSA-N -1 1 368.418 3.334 20 30 FGEDMM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1Br ZINC000176672551 495743063 /nfs/dbraw/zinc/74/30/63/495743063.db2.gz CVWWSHWIFZHYTD-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000174256281 495884899 /nfs/dbraw/zinc/88/48/99/495884899.db2.gz VKUQCYWIECHDGG-UHFFFAOYSA-N -1 1 357.435 3.116 20 30 FGEDMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000181072342 496261104 /nfs/dbraw/zinc/26/11/04/496261104.db2.gz JTRVYLXDCKDEIK-UHFFFAOYSA-N -1 1 355.463 3.331 20 30 FGEDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(C#N)nc3)n[nH]2)cc1C ZINC000153169259 496372969 /nfs/dbraw/zinc/37/29/69/496372969.db2.gz WULUWAPUKWDMIU-UHFFFAOYSA-N -1 1 367.434 3.069 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(C)c(C)c3)nc(=O)c2c1C ZINC000153565861 496500115 /nfs/dbraw/zinc/50/01/15/496500115.db2.gz OCCSSSULULZVQN-AWEZNQCLSA-N -1 1 366.446 3.464 20 30 FGEDMM COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187706589 496540942 /nfs/dbraw/zinc/54/09/42/496540942.db2.gz ULAXYYSHZSELAH-SFHVURJKSA-N -1 1 366.417 3.094 20 30 FGEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000187790570 496573855 /nfs/dbraw/zinc/57/38/55/496573855.db2.gz NBJGZMOWUBZBMW-AWEZNQCLSA-N -1 1 351.406 3.143 20 30 FGEDMM COc1ccc(CC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000187833133 496587990 /nfs/dbraw/zinc/58/79/90/496587990.db2.gz QZQBOKXPJDZSJX-UHFFFAOYSA-N -1 1 350.418 3.367 20 30 FGEDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000230344142 497104824 /nfs/dbraw/zinc/10/48/24/497104824.db2.gz OENCAWNVHGIDSE-UHFFFAOYSA-N -1 1 357.254 3.492 20 30 FGEDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000569292481 505898091 /nfs/dbraw/zinc/89/80/91/505898091.db2.gz PEAVMPBRSVVFOQ-MRVPVSSYSA-N -1 1 350.350 3.111 20 30 FGEDMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000190013749 497324743 /nfs/dbraw/zinc/32/47/43/497324743.db2.gz RYUCFIJDWQNGPN-MRXNPFEDSA-N -1 1 352.390 3.258 20 30 FGEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000190327118 497438561 /nfs/dbraw/zinc/43/85/61/497438561.db2.gz JGPRTRINWJEWSD-UHFFFAOYSA-N -1 1 358.419 3.153 20 30 FGEDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000190402793 497466360 /nfs/dbraw/zinc/46/63/60/497466360.db2.gz VTKKBTPHTXQHSU-UHFFFAOYSA-N -1 1 352.419 3.162 20 30 FGEDMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279959842 497602582 /nfs/dbraw/zinc/60/25/82/497602582.db2.gz NUQBPDKOTIHIBO-UHFFFAOYSA-N -1 1 371.462 3.082 20 30 FGEDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000329752583 497889929 /nfs/dbraw/zinc/88/99/29/497889929.db2.gz WHYHMFZORCFKGB-MGPQQGTHSA-N -1 1 366.483 3.495 20 30 FGEDMM N#Cc1ccc(OC2CCC(NC(=O)c3c(F)ccc([O-])c3F)CC2)nc1 ZINC000289425849 498141796 /nfs/dbraw/zinc/14/17/96/498141796.db2.gz JXNJHJZCCKPMPR-UHFFFAOYSA-N -1 1 373.359 3.057 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000331217492 498277500 /nfs/dbraw/zinc/27/75/00/498277500.db2.gz GGCHVIZEIFIWNR-ONGXEEELSA-N -1 1 352.403 3.267 20 30 FGEDMM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nc2ccccc2n1C(F)F ZINC000581863151 506076798 /nfs/dbraw/zinc/07/67/98/506076798.db2.gz FSOANNZHXUGOFR-LLVKDONJSA-N -1 1 355.348 3.454 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(Cl)c1 ZINC000322209786 498816513 /nfs/dbraw/zinc/81/65/13/498816513.db2.gz VGENSAAEQMWWQZ-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1-c1ccncc1 ZINC000373645103 499481589 /nfs/dbraw/zinc/48/15/89/499481589.db2.gz QNXRNCWIRXDJIT-UHFFFAOYSA-N -1 1 373.825 3.106 20 30 FGEDMM CCOC(=O)C(=C([O-])CSc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000412992985 499903132 /nfs/dbraw/zinc/90/31/32/499903132.db2.gz NLWZKYDJFFUOBO-OAHLLOKOSA-N -1 1 360.460 3.331 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1F ZINC000427136449 500357701 /nfs/dbraw/zinc/35/77/01/500357701.db2.gz KIIRECPLOKKHQZ-UHFFFAOYSA-N -1 1 359.426 3.488 20 30 FGEDMM Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000442875571 500637954 /nfs/dbraw/zinc/63/79/54/500637954.db2.gz WLFPTIBPYGQYEN-UHFFFAOYSA-N -1 1 360.417 3.039 20 30 FGEDMM C=CCC1(C(=O)NCc2cccc(-c3nc(C(=O)OCC)n[n-]3)c2)CCC1 ZINC000447689795 500646635 /nfs/dbraw/zinc/64/66/35/500646635.db2.gz TTWMGZIEQVGMDF-UHFFFAOYSA-N -1 1 368.437 3.011 20 30 FGEDMM Cn1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(Cl)cc2)n1 ZINC000443141204 500686846 /nfs/dbraw/zinc/68/68/46/500686846.db2.gz ZFUVVRLXCWDONY-GOSISDBHSA-N -1 1 366.808 3.170 20 30 FGEDMM C=CCOCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444380203 500842586 /nfs/dbraw/zinc/84/25/86/500842586.db2.gz NDTISPRXIBBCHI-UHFFFAOYSA-N -1 1 360.454 3.376 20 30 FGEDMM Cc1ccc(F)c(-c2cc(=NC(=O)C3(c4ccc(C#N)cc4)CC3)[nH][n-]2)c1 ZINC000444817237 500906609 /nfs/dbraw/zinc/90/66/09/500906609.db2.gz PTHAZIIQCXPLPP-UHFFFAOYSA-N -1 1 360.392 3.488 20 30 FGEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(C)=O ZINC000435763903 501024628 /nfs/dbraw/zinc/02/46/28/501024628.db2.gz XCMSRHYHMAZGKF-UHFFFAOYSA-N -1 1 371.462 3.036 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436475996 501134562 /nfs/dbraw/zinc/13/45/62/501134562.db2.gz DEKVOIAOAROVFT-UHFFFAOYSA-N -1 1 356.325 3.278 20 30 FGEDMM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3[O-])C2)c(F)c1 ZINC000436789751 501212033 /nfs/dbraw/zinc/21/20/33/501212033.db2.gz CWJYRXHBLGQNDE-CQSZACIVSA-N -1 1 373.815 3.455 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000460831705 501932325 /nfs/dbraw/zinc/93/23/25/501932325.db2.gz STDVRBCBPPVEOT-UHFFFAOYSA-N -1 1 374.462 3.425 20 30 FGEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000464419293 501984427 /nfs/dbraw/zinc/98/44/27/501984427.db2.gz VPHVGOMOWUDUAQ-CYBMUJFWSA-N -1 1 363.252 3.195 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000465115887 502194397 /nfs/dbraw/zinc/19/43/97/502194397.db2.gz PYMZUJQAELKIAO-CYBMUJFWSA-N -1 1 362.426 3.239 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000465114872 502194627 /nfs/dbraw/zinc/19/46/27/502194627.db2.gz NLCTZZFNTQQSKB-LLVKDONJSA-N -1 1 366.389 3.070 20 30 FGEDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccccc3CC#N)c2)n1 ZINC000475784857 502290738 /nfs/dbraw/zinc/29/07/38/502290738.db2.gz BGHXEFVECIESDG-UHFFFAOYSA-N -1 1 364.430 3.319 20 30 FGEDMM CC(C)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1nc(C2CC2)no1 ZINC000475798739 502294206 /nfs/dbraw/zinc/29/42/06/502294206.db2.gz QOJJMRLFQBUUJC-CQSZACIVSA-N -1 1 366.487 3.038 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000475799977 502295316 /nfs/dbraw/zinc/29/53/16/502295316.db2.gz UXQWAJRTVPNKON-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000505280121 502881331 /nfs/dbraw/zinc/88/13/31/502881331.db2.gz IDZPSLYOXVOCRG-GFCCVEGCSA-N -1 1 350.353 3.080 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000509600647 502945252 /nfs/dbraw/zinc/94/52/52/502945252.db2.gz JOHYBFMVAXWBIE-UHFFFAOYSA-N -1 1 366.389 3.341 20 30 FGEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505784375 502985754 /nfs/dbraw/zinc/98/57/54/502985754.db2.gz PMXIHRHOOYEBPW-SFHVURJKSA-N -1 1 357.435 3.366 20 30 FGEDMM Cc1cc2cc(C[N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)ccc2[nH]1 ZINC000510659273 503167312 /nfs/dbraw/zinc/16/73/12/503167312.db2.gz CNHZJZISDWKLTI-UHFFFAOYSA-N -1 1 361.373 3.105 20 30 FGEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000508145530 503441106 /nfs/dbraw/zinc/44/11/06/503441106.db2.gz ZDOVKVXBPIGEEG-LBPRGKRZSA-N -1 1 353.296 3.307 20 30 FGEDMM Cc1ocnc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000516335397 503496496 /nfs/dbraw/zinc/49/64/96/503496496.db2.gz CERVELPNPWVHFX-UHFFFAOYSA-N -1 1 357.420 3.251 20 30 FGEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2noc3c2COCC3)cc1 ZINC000527593826 503846308 /nfs/dbraw/zinc/84/63/08/503846308.db2.gz YUTGXMVJZIKJRG-HNNXBMFYSA-N -1 1 367.405 3.051 20 30 FGEDMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1C#N ZINC000530144653 503852380 /nfs/dbraw/zinc/85/23/80/503852380.db2.gz JZXCWWCFZHWQCF-UHFFFAOYSA-N -1 1 372.446 3.219 20 30 FGEDMM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000542237738 504416993 /nfs/dbraw/zinc/41/69/93/504416993.db2.gz MZOSUQCXEQGMAB-UHFFFAOYSA-N -1 1 352.362 3.424 20 30 FGEDMM N#CCc1ccnc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000532163102 504557114 /nfs/dbraw/zinc/55/71/14/504557114.db2.gz LSWCBGAKDVIGEN-UHFFFAOYSA-N -1 1 355.341 3.108 20 30 FGEDMM CC1CC(C#N)(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000532322169 504610576 /nfs/dbraw/zinc/61/05/76/504610576.db2.gz LQGGUFKXECTUFJ-UHFFFAOYSA-N -1 1 369.446 3.366 20 30 FGEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1F ZINC000550111394 504969045 /nfs/dbraw/zinc/96/90/45/504969045.db2.gz NTLUEQVXLPMOAS-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000553722620 504991521 /nfs/dbraw/zinc/99/15/21/504991521.db2.gz MXGPWZGEOCVWJI-ZAAXVRCTSA-N -1 1 350.418 3.345 20 30 FGEDMM Cc1cnc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)[n-]c1=O ZINC000567062854 505352741 /nfs/dbraw/zinc/35/27/41/505352741.db2.gz JBMZNTRGVXGFIA-LLVKDONJSA-N -1 1 374.491 3.473 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000561528723 505369005 /nfs/dbraw/zinc/36/90/05/505369005.db2.gz LSEQEGNEEZTAPZ-UHFFFAOYSA-N -1 1 370.352 3.180 20 30 FGEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593210075 506467857 /nfs/dbraw/zinc/46/78/57/506467857.db2.gz FCSOYSNFSKOHMA-UHFFFAOYSA-N -1 1 358.463 3.477 20 30 FGEDMM COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589185422 506475269 /nfs/dbraw/zinc/47/52/69/506475269.db2.gz QWXXXHKEAHMCGA-UHFFFAOYSA-N -1 1 362.788 3.345 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCC2)cc1[O-] ZINC000597854267 507136123 /nfs/dbraw/zinc/13/61/23/507136123.db2.gz YWSGCRXMGPIZCP-IBGZPJMESA-N -1 1 350.418 3.288 20 30 FGEDMM N#Cc1cccc(C2(NC(=O)Cc3ccc([O-])c(Cl)c3)CCOCC2)c1 ZINC000601671158 507421994 /nfs/dbraw/zinc/42/19/94/507421994.db2.gz IGRKJOQIPZBDKH-UHFFFAOYSA-N -1 1 370.836 3.282 20 30 FGEDMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295448 507444321 /nfs/dbraw/zinc/44/43/21/507444321.db2.gz MNJWIXQPQCSRBQ-UHFFFAOYSA-N -1 1 350.296 3.435 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3cccc(Br)c3)CC2)c1 ZINC000614370075 507482526 /nfs/dbraw/zinc/48/25/26/507482526.db2.gz RLRUDPZYUZZDMG-UHFFFAOYSA-N -1 1 357.207 3.445 20 30 FGEDMM CCCCn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(C)n1 ZINC000601961163 507530421 /nfs/dbraw/zinc/53/04/21/507530421.db2.gz ARRCVKPSOIXRET-UHFFFAOYSA-N -1 1 352.847 3.318 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000586840045 507690114 /nfs/dbraw/zinc/69/01/14/507690114.db2.gz JMWFTLHHNRBMTN-MRXNPFEDSA-N -1 1 372.222 3.302 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1 ZINC000588104705 507763790 /nfs/dbraw/zinc/76/37/90/507763790.db2.gz RWJAUXLLVTUAPZ-ZWKOTPCHSA-N -1 1 358.344 3.272 20 30 FGEDMM N#Cc1ccc(-c2cccc(CNc3cccc(-c4nnn[n-]4)n3)c2)s1 ZINC000737708957 598854773 /nfs/dbraw/zinc/85/47/73/598854773.db2.gz IGTQDZZISDGELS-UHFFFAOYSA-N -1 1 359.418 3.474 20 30 FGEDMM N#Cc1ccc(-c2cccc(CNc3cccc(-c4nn[n-]n4)n3)c2)s1 ZINC000737708957 598854775 /nfs/dbraw/zinc/85/47/75/598854775.db2.gz IGTQDZZISDGELS-UHFFFAOYSA-N -1 1 359.418 3.474 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccnc3ccccc23)o1 ZINC000735655605 598545547 /nfs/dbraw/zinc/54/55/47/598545547.db2.gz BNRYHGIZWBQVCH-UHFFFAOYSA-N -1 1 362.397 3.146 20 30 FGEDMM Cc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c(O)c1C ZINC000735450631 598567503 /nfs/dbraw/zinc/56/75/03/598567503.db2.gz BNJSPNYUMNTPSB-UHFFFAOYSA-N -1 1 369.429 3.212 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2Cc3ccc(Cl)cc3C2)o1 ZINC000819965867 599336082 /nfs/dbraw/zinc/33/60/82/599336082.db2.gz PZENHWYXOLKOHX-UHFFFAOYSA-N -1 1 371.832 3.372 20 30 FGEDMM CCCN(C)CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000737008196 600003198 /nfs/dbraw/zinc/00/31/98/600003198.db2.gz WFCYCTLPIBJMJO-UHFFFAOYSA-N -1 1 350.418 3.065 20 30 FGEDMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736811305 600571296 /nfs/dbraw/zinc/57/12/96/600571296.db2.gz XNTTXBRBTISTHH-VBQJREDUSA-N -1 1 373.453 3.014 20 30 FGEDMM N#Cc1cccc([C@H](NCc2csc(Br)c2)C(=O)[O-])c1 ZINC000833074828 601301517 /nfs/dbraw/zinc/30/15/17/601301517.db2.gz FDMFLQUOCUFVHE-ZDUSSCGKSA-N -1 1 351.225 3.298 20 30 FGEDMM N#Cc1cccc([C@@H](NCc2csc(Br)c2)C(=O)[O-])c1 ZINC000833074827 601301545 /nfs/dbraw/zinc/30/15/45/601301545.db2.gz FDMFLQUOCUFVHE-CYBMUJFWSA-N -1 1 351.225 3.298 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824384542 607550306 /nfs/dbraw/zinc/55/03/06/607550306.db2.gz DEGWHFDHUHHLHG-GFCCVEGCSA-N -1 1 351.439 3.268 20 30 FGEDMM C[C@H](CC#N)Sc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824384542 607550308 /nfs/dbraw/zinc/55/03/08/607550308.db2.gz DEGWHFDHUHHLHG-GFCCVEGCSA-N -1 1 351.439 3.268 20 30 FGEDMM Cc1cc(C(C#N)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000740058715 602670217 /nfs/dbraw/zinc/67/02/17/602670217.db2.gz CLUIDGOUWVCULC-CVEARBPZSA-N -1 1 352.394 3.059 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822924051 606387827 /nfs/dbraw/zinc/38/78/27/606387827.db2.gz WCUAMFDTYZQCBT-DJWKRKHSSA-N -1 1 361.770 3.386 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(Cl)c2F)o1 ZINC000819965657 607110696 /nfs/dbraw/zinc/11/06/96/607110696.db2.gz LYEZAAOJTAIQDK-UHFFFAOYSA-N -1 1 363.784 3.391 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c1)O[C@@H](C)C2 ZINC000826178531 608093452 /nfs/dbraw/zinc/09/34/52/608093452.db2.gz BIVYTVLRIAKUOD-FSIBCCDJSA-N -1 1 368.418 3.156 20 30 FGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c1)O[C@@H](C)C2 ZINC000826178531 608093453 /nfs/dbraw/zinc/09/34/53/608093453.db2.gz BIVYTVLRIAKUOD-FSIBCCDJSA-N -1 1 368.418 3.156 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CC=C(c3ccc(F)cc3)CC2)o1 ZINC000826323045 609160066 /nfs/dbraw/zinc/16/00/66/609160066.db2.gz NKBAOCBGWYBSJM-UHFFFAOYSA-N -1 1 353.361 3.338 20 30 FGEDMM COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c(Br)cc1O ZINC000072042097 695959389 /nfs/dbraw/zinc/95/93/89/695959389.db2.gz YUHJRGUFPPFDMB-WCSRMQSCSA-N -1 1 363.163 3.485 20 30 FGEDMM CC[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000084714515 700362067 /nfs/dbraw/zinc/36/20/67/700362067.db2.gz MPZTWTAEQSJDLG-OAHLLOKOSA-N -1 1 358.419 3.255 20 30 FGEDMM CC[C@@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000188089380 712761367 /nfs/dbraw/zinc/76/13/67/712761367.db2.gz UJIQKHCFLWETCU-INIZCTEOSA-N -1 1 358.419 3.336 20 30 FGEDMM C=CCn1c(-c2sc(NC(=O)c3cccn3C)nc2C)n[n-]c1=S ZINC000248103636 713646009 /nfs/dbraw/zinc/64/60/09/713646009.db2.gz FLWMUGMWGSEDMH-UHFFFAOYSA-N -1 1 360.468 3.149 20 30 FGEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c(Br)cc1O ZINC000255696702 713704668 /nfs/dbraw/zinc/70/46/68/713704668.db2.gz HPYUTHXHBARGFA-RQOWECAXSA-N -1 1 365.179 3.471 20 30 FGEDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000619462601 714838858 /nfs/dbraw/zinc/83/88/58/714838858.db2.gz QNRYQQPSZDJGFI-UHFFFAOYSA-N -1 1 355.463 3.279 20 30 FGEDMM CSc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccn1 ZINC000619709159 714863987 /nfs/dbraw/zinc/86/39/87/714863987.db2.gz DOVILYNELNLDEN-UHFFFAOYSA-N -1 1 373.381 3.495 20 30 FGEDMM Cc1cc(Br)c([O-])c(C=NNC(=S)Nc2ccccn2)c1 ZINC000781596658 724577174 /nfs/dbraw/zinc/57/71/74/724577174.db2.gz KHYSFICXPGLSRT-UHFFFAOYSA-N -1 1 365.256 3.179 20 30 FGEDMM Cn1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000675642518 721764583 /nfs/dbraw/zinc/76/45/83/721764583.db2.gz GTMUNPCVLOKDMZ-LBPRGKRZSA-N -1 1 352.419 3.104 20 30 FGEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc(C#N)cc1Cl ZINC000784207707 724832448 /nfs/dbraw/zinc/83/24/48/724832448.db2.gz BHQVJPMKYKSNJN-UHFFFAOYSA-N -1 1 370.839 3.002 20 30 FGEDMM Cc1n[n-]cc1S(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000734153653 722504763 /nfs/dbraw/zinc/50/47/63/722504763.db2.gz MMCXBZVXZVXMIE-LBPRGKRZSA-N -1 1 368.764 3.250 20 30 FGEDMM C#CCOc1ccccc1CNC(=O)c1ccc(Br)cc1[O-] ZINC000734177673 722505009 /nfs/dbraw/zinc/50/50/09/722505009.db2.gz PUCHGHWPQBZMON-UHFFFAOYSA-N -1 1 360.207 3.097 20 30 FGEDMM C=C(Cl)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000736688962 722524148 /nfs/dbraw/zinc/52/41/48/722524148.db2.gz NVYDZRBJZDXQLW-INIZCTEOSA-N -1 1 358.825 3.019 20 30 FGEDMM CC(C)(C)CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Cl)cc1 ZINC000740761687 722537531 /nfs/dbraw/zinc/53/75/31/722537531.db2.gz GVLNLDPJPSGXBV-UHFFFAOYSA-N -1 1 358.833 3.338 20 30 FGEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NO)cc2)c(C)c1C ZINC000742824586 722560438 /nfs/dbraw/zinc/56/04/38/722560438.db2.gz SXNKZBZAFPOECT-UHFFFAOYSA-N -1 1 362.451 3.149 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc2ccccc2c1 ZINC000748248595 722681616 /nfs/dbraw/zinc/68/16/16/722681616.db2.gz SFQXYGCGULNVEF-UHFFFAOYSA-N -1 1 355.375 3.060 20 30 FGEDMM CC(C)(C)C1CCC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000748253535 722681811 /nfs/dbraw/zinc/68/18/11/722681811.db2.gz OTYOEDDPQCYEOA-UHFFFAOYSA-N -1 1 353.444 3.465 20 30 FGEDMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1cccc(Br)c1 ZINC000791391375 723238439 /nfs/dbraw/zinc/23/84/39/723238439.db2.gz JTTPDWDYNWFHPG-GFCCVEGCSA-N -1 1 373.197 3.070 20 30 FGEDMM Cc1nc([C@H](C)n2ccc(C=N[O-])nc2=O)oc1-c1ccc(Cl)cc1 ZINC000763187293 723320219 /nfs/dbraw/zinc/32/02/19/723320219.db2.gz RJPONIAQOYFOBU-NSHDSACASA-N -1 1 358.785 3.278 20 30 FGEDMM N#Cc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000764765867 723443804 /nfs/dbraw/zinc/44/38/04/723443804.db2.gz WCBFVLKSEBDNRT-UHFFFAOYSA-N -1 1 360.211 3.026 20 30 FGEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000766482435 723576264 /nfs/dbraw/zinc/57/62/64/723576264.db2.gz LVWRMRGMZJDFCN-UHFFFAOYSA-N -1 1 366.324 3.088 20 30 FGEDMM CC(CCCCO)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000766698544 723587429 /nfs/dbraw/zinc/58/74/29/723587429.db2.gz MGEJFGZHFZHIBN-UHFFFAOYSA-N -1 1 361.467 3.438 20 30 FGEDMM N#C[C@H](CCc1ccccc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000774096376 723858816 /nfs/dbraw/zinc/85/88/16/723858816.db2.gz NDKMBRDPSGQTHZ-LBPRGKRZSA-N -1 1 360.211 3.261 20 30 FGEDMM C=CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000785487980 724916295 /nfs/dbraw/zinc/91/62/95/724916295.db2.gz WLAKCHHQPDDJEN-UHFFFAOYSA-N -1 1 361.419 3.229 20 30 FGEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812525741 725399202 /nfs/dbraw/zinc/39/92/02/725399202.db2.gz LMAUUXOTXMSMDR-ZDUSSCGKSA-N -1 1 368.773 3.040 20 30 FGEDMM N#CCCC[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000817320093 727240004 /nfs/dbraw/zinc/24/00/04/727240004.db2.gz XHKFYVMDMXJHJI-OAHLLOKOSA-N -1 1 351.435 3.183 20 30 FGEDMM CCC[C@H](OC)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835041523 729852656 /nfs/dbraw/zinc/85/26/56/729852656.db2.gz XYSVEERQBRHJGD-RYUDHWBXSA-N -1 1 359.451 3.267 20 30 FGEDMM C#CCCCS(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000840947952 730195628 /nfs/dbraw/zinc/19/56/28/730195628.db2.gz DVDCIPIJCGARFC-UHFFFAOYSA-N -1 1 374.384 3.209 20 30 FGEDMM C[C@H](C(=O)OC(C)(C)C)C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000842294859 730481685 /nfs/dbraw/zinc/48/16/85/730481685.db2.gz NRYJOWKTTULQON-WCQYABFASA-N -1 1 357.435 3.359 20 30 FGEDMM C=CCCc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)cc1 ZINC000886397598 739254476 /nfs/dbraw/zinc/25/44/76/739254476.db2.gz PTOSQWXLBUYZDA-UHFFFAOYSA-N -1 1 361.467 3.223 20 30 FGEDMM N#Cc1ccc([C@@H]2CN(C(=O)Cc3ccc([O-])c(Cl)c3)CCO2)cc1 ZINC000887739479 739419427 /nfs/dbraw/zinc/41/94/27/739419427.db2.gz VXMKLLTYXKABNQ-SFHVURJKSA-N -1 1 356.809 3.060 20 30 FGEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892494350 740006927 /nfs/dbraw/zinc/00/69/27/740006927.db2.gz CWBKFQHKNXUNLT-AWEZNQCLSA-N -1 1 354.435 3.095 20 30 FGEDMM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)CC1Cc2ccccc2C1 ZINC000901650673 743610536 /nfs/dbraw/zinc/61/05/36/743610536.db2.gz MNMJSDPMQQFXOJ-CQSZACIVSA-N -1 1 356.447 3.134 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c1 ZINC000057785773 493797944 /nfs/dbraw/zinc/79/79/44/493797944.db2.gz FPRWGWADMGKOHC-UHFFFAOYSA-N -1 1 368.443 3.300 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)c1 ZINC000076557037 493921454 /nfs/dbraw/zinc/92/14/54/493921454.db2.gz PYKLKTNLFJGDHJ-UHFFFAOYSA-N -1 1 364.398 3.150 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1F ZINC000051637867 493979590 /nfs/dbraw/zinc/97/95/90/493979590.db2.gz KWJWWCRFEWWSGF-UHFFFAOYSA-N -1 1 355.188 3.261 20 30 FGEDMM Cc1cc(C)n2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C)C4)nc2n1 ZINC000069610207 493986593 /nfs/dbraw/zinc/98/65/93/493986593.db2.gz YBQBTJAKIFWMTQ-VIFPVBQESA-N -1 1 366.450 3.051 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 ZINC000041516330 494166608 /nfs/dbraw/zinc/16/66/08/494166608.db2.gz VZIDULWMGBECFQ-GJZGRUSLSA-N -1 1 355.419 3.059 20 30 FGEDMM N#Cc1cccnc1N1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000055739994 494398461 /nfs/dbraw/zinc/39/84/61/494398461.db2.gz SDPFHFHRKHSJHA-UHFFFAOYSA-N -1 1 372.428 3.165 20 30 FGEDMM CC(C)c1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000126844924 494848941 /nfs/dbraw/zinc/84/89/41/494848941.db2.gz XBOOYOIXVWKDKJ-UHFFFAOYSA-N -1 1 355.872 3.270 20 30 FGEDMM C=CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000116987764 494880466 /nfs/dbraw/zinc/88/04/66/494880466.db2.gz HZQLSCIGALQAJQ-KSSFIOAISA-N -1 1 352.434 3.231 20 30 FGEDMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2C1 ZINC000128655869 495130932 /nfs/dbraw/zinc/13/09/32/495130932.db2.gz MPNLBPNYIZDWEI-UHFFFAOYSA-N -1 1 355.463 3.331 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(C(F)(F)F)c1 ZINC000134666904 495183988 /nfs/dbraw/zinc/18/39/88/495183988.db2.gz ZDRWSBGHGKIFES-UHFFFAOYSA-N -1 1 374.315 3.009 20 30 FGEDMM Cc1cnc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(Br)c1 ZINC000129474818 495250302 /nfs/dbraw/zinc/25/03/02/495250302.db2.gz JBJCXLJOUSXDBB-UHFFFAOYSA-N -1 1 366.240 3.133 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000120426968 495375352 /nfs/dbraw/zinc/37/53/52/495375352.db2.gz DOPPCZMGUOZJSK-LBPRGKRZSA-N -1 1 371.393 3.392 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000114673350 495406788 /nfs/dbraw/zinc/40/67/88/495406788.db2.gz DDKARVCOBGJBQC-UHFFFAOYSA-N -1 1 371.462 3.196 20 30 FGEDMM C#Cc1cccc(N(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C(C)C)c1 ZINC000170844517 495624653 /nfs/dbraw/zinc/62/46/53/495624653.db2.gz HXODETNTNWAUKP-UHFFFAOYSA-N -1 1 369.490 3.156 20 30 FGEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000161260263 496139342 /nfs/dbraw/zinc/13/93/42/496139342.db2.gz COQMRXBAIFAKIF-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000184037641 496213744 /nfs/dbraw/zinc/21/37/44/496213744.db2.gz BJQUQHZEFYSIKU-AWEZNQCLSA-N -1 1 372.446 3.019 20 30 FGEDMM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000184479505 496402483 /nfs/dbraw/zinc/40/24/83/496402483.db2.gz CBCQGLLZTPAKRC-UHFFFAOYSA-N -1 1 369.899 3.444 20 30 FGEDMM C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187384393 496419622 /nfs/dbraw/zinc/41/96/22/496419622.db2.gz XOAADBBSVHTHQX-ZCFIWIBFSA-N -1 1 372.071 3.194 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nc(-c2ccncc2)cs1 ZINC000165804335 496669551 /nfs/dbraw/zinc/66/95/51/496669551.db2.gz FHIJYZYWUZLASG-MRXNPFEDSA-N -1 1 372.413 3.276 20 30 FGEDMM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000154146374 496695314 /nfs/dbraw/zinc/69/53/14/496695314.db2.gz CWFQFQLOCQJDPC-UHFFFAOYSA-N -1 1 362.426 3.193 20 30 FGEDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)n1 ZINC000191457046 496769054 /nfs/dbraw/zinc/76/90/54/496769054.db2.gz MEJCEZZPRSPWOC-UHFFFAOYSA-N -1 1 359.411 3.266 20 30 FGEDMM Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccc(C#N)c([O-])c4)C3)nc2c1 ZINC000189002530 496975088 /nfs/dbraw/zinc/97/50/88/496975088.db2.gz KZAGLDOBUQHBMO-MRXNPFEDSA-N -1 1 360.417 3.468 20 30 FGEDMM Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(C#N)c([O-])c4)C3)[nH]c2c1 ZINC000189002530 496975101 /nfs/dbraw/zinc/97/51/01/496975101.db2.gz KZAGLDOBUQHBMO-MRXNPFEDSA-N -1 1 360.417 3.468 20 30 FGEDMM COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccn1 ZINC000189055172 496993428 /nfs/dbraw/zinc/99/34/28/496993428.db2.gz YSPFGQXYUNPIEZ-HXUWFJFHSA-N -1 1 359.385 3.187 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1OC ZINC000192704815 497190509 /nfs/dbraw/zinc/19/05/09/497190509.db2.gz RHPDNBYPCMNOFW-UHFFFAOYSA-N -1 1 352.799 3.030 20 30 FGEDMM CCc1cc2c(CNc3cc(C)n(CCC#N)n3)cc(=O)oc2cc1[O-] ZINC000271048946 497253032 /nfs/dbraw/zinc/25/30/32/497253032.db2.gz VLNRFFHWVUBUCC-UHFFFAOYSA-N -1 1 352.394 3.092 20 30 FGEDMM C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000190087433 497352581 /nfs/dbraw/zinc/35/25/81/497352581.db2.gz KXGNMJXIGDGREK-CQSZACIVSA-N -1 1 369.852 3.436 20 30 FGEDMM O=C(COCC(F)(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000272571981 497666279 /nfs/dbraw/zinc/66/62/79/497666279.db2.gz JTGQECPGFOJHGT-SNVBAGLBSA-N -1 1 351.193 3.263 20 30 FGEDMM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000285051270 497980626 /nfs/dbraw/zinc/98/06/26/497980626.db2.gz JZOPTGLPWDKTAW-LLVKDONJSA-N -1 1 357.259 3.056 20 30 FGEDMM N#CCC1(CNC(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000578585183 505973259 /nfs/dbraw/zinc/97/32/59/505973259.db2.gz WXPCDXKOPXSWHZ-UHFFFAOYSA-N -1 1 360.211 3.127 20 30 FGEDMM CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000416258474 499997927 /nfs/dbraw/zinc/99/79/27/499997927.db2.gz FLIHUIHXVSSDQJ-MRXNPFEDSA-N -1 1 358.438 3.380 20 30 FGEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000425178522 500038681 /nfs/dbraw/zinc/03/86/81/500038681.db2.gz LJTGUJNZLNAAHJ-WPRPVWTQSA-N -1 1 354.230 3.002 20 30 FGEDMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)cc2F)cc1OC ZINC000417556657 500107845 /nfs/dbraw/zinc/10/78/45/500107845.db2.gz PHOYKAWCJBMDSH-MRXNPFEDSA-N -1 1 358.369 3.020 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1F ZINC000427097908 500353027 /nfs/dbraw/zinc/35/30/27/500353027.db2.gz XZHSVIDXGTXZBY-UHFFFAOYSA-N -1 1 360.395 3.017 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC000431629320 500400658 /nfs/dbraw/zinc/40/06/58/500400658.db2.gz WFIBIRFIXMFINY-CQSZACIVSA-N -1 1 356.781 3.496 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431631276 500401111 /nfs/dbraw/zinc/40/11/11/500401111.db2.gz BUZJEWKNQKXEEI-CQSZACIVSA-N -1 1 356.781 3.496 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc2cccnc21 ZINC000427633496 500414233 /nfs/dbraw/zinc/41/42/33/500414233.db2.gz JVYADFPLTFJNGV-UHFFFAOYSA-N -1 1 353.403 3.224 20 30 FGEDMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427768438 500429841 /nfs/dbraw/zinc/42/98/41/500429841.db2.gz RJFGITOPEXKFSP-UHFFFAOYSA-N -1 1 351.428 3.314 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1[O-] ZINC000442857529 500635608 /nfs/dbraw/zinc/63/56/08/500635608.db2.gz GEBATHJSRJIXGM-AWEZNQCLSA-N -1 1 356.179 3.021 20 30 FGEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000438613239 500808116 /nfs/dbraw/zinc/80/81/16/500808116.db2.gz SVLZSGHWGRCSJP-UHFFFAOYSA-N -1 1 371.824 3.432 20 30 FGEDMM CC(C)(C#N)CCCCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000435692119 501012776 /nfs/dbraw/zinc/01/27/76/501012776.db2.gz OBAYBKISJJQNLV-UHFFFAOYSA-N -1 1 352.504 3.421 20 30 FGEDMM C=C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1[O-] ZINC000436820330 501216396 /nfs/dbraw/zinc/21/63/96/501216396.db2.gz GYPUOMZUKRMTDR-LLVKDONJSA-N -1 1 357.191 3.178 20 30 FGEDMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000460407415 501818619 /nfs/dbraw/zinc/81/86/19/501818619.db2.gz FGTILEPWTGQXGR-UHFFFAOYSA-N -1 1 371.462 3.271 20 30 FGEDMM C=CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000468390092 502043771 /nfs/dbraw/zinc/04/37/71/502043771.db2.gz QMBBSYZRUVGUDW-UHFFFAOYSA-N -1 1 362.426 3.323 20 30 FGEDMM C=CCCN(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000466399559 502559078 /nfs/dbraw/zinc/55/90/78/502559078.db2.gz OVAZAVMVKXEYIW-UHFFFAOYSA-N -1 1 353.394 3.173 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)[n-]c(=O)c1C ZINC000540711650 503863717 /nfs/dbraw/zinc/86/37/17/503863717.db2.gz AXLDOGUKTURHDP-JTQLQIEISA-N -1 1 362.842 3.443 20 30 FGEDMM O=C(COCC(F)(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000547810120 504234408 /nfs/dbraw/zinc/23/44/08/504234408.db2.gz DMGFBWMFDKDWCD-SNVBAGLBSA-N -1 1 351.193 3.263 20 30 FGEDMM COc1ccc(-c2n[n-]c(S(=O)(=O)CCC3(C#N)CCCCC3)n2)cc1 ZINC000563352767 505118416 /nfs/dbraw/zinc/11/84/16/505118416.db2.gz KSNUAOBUNQNKRQ-UHFFFAOYSA-N -1 1 374.466 3.118 20 30 FGEDMM COc1ccc(-c2nc(S(=O)(=O)CCC3(C#N)CCCCC3)n[n-]2)cc1 ZINC000563352767 505118417 /nfs/dbraw/zinc/11/84/17/505118417.db2.gz KSNUAOBUNQNKRQ-UHFFFAOYSA-N -1 1 374.466 3.118 20 30 FGEDMM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2ccncn2)cs1 ZINC000562138922 505526663 /nfs/dbraw/zinc/52/66/63/505526663.db2.gz HASUGMMVGRTZRS-OAHLLOKOSA-N -1 1 350.403 3.311 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)s1 ZINC000599417779 506447431 /nfs/dbraw/zinc/44/74/31/506447431.db2.gz RMONFQVUISWWBZ-CYBMUJFWSA-N -1 1 356.419 3.165 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2NCC(C)(C)C#N)cc1 ZINC000603331289 506486934 /nfs/dbraw/zinc/48/69/34/506486934.db2.gz GGENLXLMAJUPDT-UHFFFAOYSA-N -1 1 359.451 3.458 20 30 FGEDMM N#Cc1c(F)cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000612382414 506554493 /nfs/dbraw/zinc/55/44/93/506554493.db2.gz MASBLDQARBTGDO-UHFFFAOYSA-N -1 1 370.355 3.277 20 30 FGEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000603983345 506679346 /nfs/dbraw/zinc/67/93/46/506679346.db2.gz XKUBHKVFOWTCCW-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM Cc1csc(C2([N-]S(=O)(=O)c3ccsc3C#N)CCCC2)n1 ZINC000593544061 506679796 /nfs/dbraw/zinc/67/97/96/506679796.db2.gz DAMXVQBKUNVMLO-UHFFFAOYSA-N -1 1 353.494 3.133 20 30 FGEDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000609588079 506934098 /nfs/dbraw/zinc/93/40/98/506934098.db2.gz LJFTXRKYGIJEIR-UHFFFAOYSA-N -1 1 372.446 3.004 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000590775147 506947513 /nfs/dbraw/zinc/94/75/13/506947513.db2.gz VDNKTDUUTZIADG-HNNXBMFYSA-N -1 1 351.362 3.192 20 30 FGEDMM Cc1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)o1 ZINC000583827859 506996351 /nfs/dbraw/zinc/99/63/51/506996351.db2.gz IUDGCNJBWSCCJN-NSHDSACASA-N -1 1 368.418 3.371 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2sccc2Br)CCCCC1 ZINC000594869442 507299294 /nfs/dbraw/zinc/29/92/94/507299294.db2.gz KQASDOQIISXTSY-UHFFFAOYSA-N -1 1 363.302 3.263 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)c1cccc(C#N)c1 ZINC000601362453 507344071 /nfs/dbraw/zinc/34/40/71/507344071.db2.gz VVWGUBYWAHFAGQ-VIFPVBQESA-N -1 1 351.815 3.117 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000614297990 507445957 /nfs/dbraw/zinc/44/59/57/507445957.db2.gz IPVZCSNENQRNPZ-UHFFFAOYSA-N -1 1 370.836 3.395 20 30 FGEDMM CC#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000584741474 507477774 /nfs/dbraw/zinc/47/77/74/507477774.db2.gz RLOHDYHUTUTGIV-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM C[C@@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735506461 599215834 /nfs/dbraw/zinc/21/58/34/599215834.db2.gz WWLDAKNBIWKWPD-JTQLQIEISA-N -1 1 369.768 3.381 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccnc3ccccc23)o1 ZINC000735851232 598546122 /nfs/dbraw/zinc/54/61/22/598546122.db2.gz OFYQGIGQYPMSTO-UHFFFAOYSA-N -1 1 362.397 3.047 20 30 FGEDMM N#CC(C(=O)c1cccc(OCC(=O)[O-])c1)c1nc2cc(F)ccc2s1 ZINC000739074969 600127388 /nfs/dbraw/zinc/12/73/88/600127388.db2.gz OFBGJPSCYKGJAJ-CYBMUJFWSA-N -1 1 370.361 3.389 20 30 FGEDMM N#Cc1ccc(OCCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739129636 600145111 /nfs/dbraw/zinc/14/51/11/600145111.db2.gz YWENBRUKJAWFRR-UHFFFAOYSA-N -1 1 374.824 3.273 20 30 FGEDMM N#Cc1ccc(OCCC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739129636 600145114 /nfs/dbraw/zinc/14/51/14/600145114.db2.gz YWENBRUKJAWFRR-UHFFFAOYSA-N -1 1 374.824 3.273 20 30 FGEDMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736811303 600571197 /nfs/dbraw/zinc/57/11/97/600571197.db2.gz XNTTXBRBTISTHH-JKIFEVAISA-N -1 1 373.453 3.014 20 30 FGEDMM N#Cc1ccc([C@H](NCc2ccc(Br)cc2F)C(=O)[O-])cc1 ZINC000739106505 600598486 /nfs/dbraw/zinc/59/84/86/600598486.db2.gz NGAJRSXBUQQJCV-HNNXBMFYSA-N -1 1 363.186 3.375 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2c(F)ccc3F)o1 ZINC000824280758 607530081 /nfs/dbraw/zinc/53/00/81/607530081.db2.gz SUBNROXRVZQHNU-UHFFFAOYSA-N -1 1 373.367 3.094 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(-c3ccccn3)c2)o1 ZINC000824353023 607652704 /nfs/dbraw/zinc/65/27/04/607652704.db2.gz UMXMUIBDDUPMER-UHFFFAOYSA-N -1 1 374.408 3.486 20 30 FGEDMM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)cc21 ZINC000820577132 607023034 /nfs/dbraw/zinc/02/30/34/607023034.db2.gz LCJRZQMZTGAPPX-DAXSKMNVSA-N -1 1 365.418 3.054 20 30 FGEDMM C#CCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000070247006 695954348 /nfs/dbraw/zinc/95/43/48/695954348.db2.gz HOTHNQDPKXGKTG-UHFFFAOYSA-N -1 1 357.056 3.058 20 30 FGEDMM CCN(C[C@@H](C)C#N)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000109019344 700529015 /nfs/dbraw/zinc/52/90/15/700529015.db2.gz LJTHLPOLJPGZSA-AWEZNQCLSA-N -1 1 357.483 3.314 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C(C)(C)C)s2)cc1 ZINC000119923550 700643053 /nfs/dbraw/zinc/64/30/53/700643053.db2.gz UURHWICKIROWHX-ZDUSSCGKSA-N -1 1 357.435 3.410 20 30 FGEDMM O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1cc(O)ccc1[O-] ZINC000255613904 713701645 /nfs/dbraw/zinc/70/16/45/713701645.db2.gz FXWNGOQQHCTFSN-XQRVVYSFSA-N -1 1 351.280 3.495 20 30 FGEDMM N#Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[O-] ZINC000615468670 714530059 /nfs/dbraw/zinc/53/00/59/714530059.db2.gz WHKFXAITIOTNDJ-PHIMTYICSA-N -1 1 366.261 3.467 20 30 FGEDMM C=C(C)Cn1c(COC)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000642720764 717991454 /nfs/dbraw/zinc/99/14/54/717991454.db2.gz GJDHKLOIXSNTNV-DYVFJYSZSA-N -1 1 364.877 3.264 20 30 FGEDMM C=C(C)Cn1c(COC)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000642720766 717991472 /nfs/dbraw/zinc/99/14/72/717991472.db2.gz GJDHKLOIXSNTNV-SUMWQHHRSA-N -1 1 364.877 3.264 20 30 FGEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)[nH]n1 ZINC000619463178 714838899 /nfs/dbraw/zinc/83/88/99/714838899.db2.gz ONRJYGOZGBXSNU-UHFFFAOYSA-N -1 1 352.419 3.252 20 30 FGEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ncc(I)s1 ZINC000794712675 723542463 /nfs/dbraw/zinc/54/24/63/723542463.db2.gz KIZKZGXRVRGVPG-YVMONPNESA-N -1 1 369.183 3.276 20 30 FGEDMM C#C[C@@H](CC)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000768049458 723644664 /nfs/dbraw/zinc/64/46/64/723644664.db2.gz QFELZGIJMBMQND-INIZCTEOSA-N -1 1 361.394 3.195 20 30 FGEDMM COc1ccccc1CON=Cc1cc(O)c([O-])c(Br)c1 ZINC000799117622 723988908 /nfs/dbraw/zinc/98/89/08/723988908.db2.gz MRMLPWPLOIUUJK-UHFFFAOYSA-N -1 1 352.184 3.420 20 30 FGEDMM COc1ccccc1CON=Cc1cc(O)cc(Br)c1[O-] ZINC000799118060 723988916 /nfs/dbraw/zinc/98/89/16/723988916.db2.gz RYPODEBXZUSZPJ-UHFFFAOYSA-N -1 1 352.184 3.420 20 30 FGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683237774 722287037 /nfs/dbraw/zinc/28/70/37/722287037.db2.gz ZNAGLXXEIZCZPV-UHFFFAOYSA-N -1 1 360.164 3.373 20 30 FGEDMM O=C(c1c(F)ccc([O-])c1F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000685442805 722385393 /nfs/dbraw/zinc/38/53/93/722385393.db2.gz NSBHBHXCONHOJT-OLQVQODUSA-N -1 1 363.204 3.483 20 30 FGEDMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000736064741 722521821 /nfs/dbraw/zinc/52/18/21/722521821.db2.gz RJVVOCSERXBNKV-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000748248723 722681816 /nfs/dbraw/zinc/68/18/16/722681816.db2.gz VWZURIGMSQQUCD-GFCCVEGCSA-N -1 1 353.444 3.465 20 30 FGEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)c1ccccc1 ZINC000751132431 722795724 /nfs/dbraw/zinc/79/57/24/722795724.db2.gz BTDHKDOZSKAOMG-UHFFFAOYSA-N -1 1 373.463 3.175 20 30 FGEDMM O=c1[nH]c(NN=Cc2ccc([O-])c(Br)c2)nc2ccccc12 ZINC000757582892 722977236 /nfs/dbraw/zinc/97/72/36/722977236.db2.gz GNUFLZBDPRLYRZ-UHFFFAOYSA-N -1 1 359.183 3.250 20 30 FGEDMM N#C[C@H](C(=O)[C@H]1CCSC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000762063390 723211527 /nfs/dbraw/zinc/21/15/27/723211527.db2.gz CMPZNBRBUPRFBM-GXSJLCMTSA-N -1 1 359.476 3.205 20 30 FGEDMM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000792533227 723344577 /nfs/dbraw/zinc/34/45/77/723344577.db2.gz WDZHPZHBOMTASI-HNNXBMFYSA-N -1 1 356.388 3.294 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1F ZINC000793366700 723431371 /nfs/dbraw/zinc/43/13/71/723431371.db2.gz DYWYQRREGQBQTF-UHFFFAOYSA-N -1 1 363.389 3.237 20 30 FGEDMM N#Cc1cnc(C(=O)NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC000765734941 723536694 /nfs/dbraw/zinc/53/66/94/723536694.db2.gz ACBVIMCFCDCLMW-UHFFFAOYSA-N -1 1 366.602 3.005 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC[C@@H](C)C#N)cc2)cc1 ZINC000770949951 723724477 /nfs/dbraw/zinc/72/44/77/723724477.db2.gz NKUVSCFNBWHGIC-AWEZNQCLSA-N -1 1 358.419 3.112 20 30 FGEDMM Cc1cnc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000775212410 723971599 /nfs/dbraw/zinc/97/15/99/723971599.db2.gz QJULZSUPZSIQLQ-UHFFFAOYSA-N -1 1 366.240 3.133 20 30 FGEDMM CCCCCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1cc(F)ccc1F ZINC000799768210 724093560 /nfs/dbraw/zinc/09/35/60/724093560.db2.gz ICWXFXQKPJKURE-HNNXBMFYSA-N -1 1 363.426 3.069 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000785613910 724925504 /nfs/dbraw/zinc/92/55/04/724925504.db2.gz VQWZKBFCAHFXFH-JDNHERCYSA-N -1 1 365.216 3.423 20 30 FGEDMM COCCON=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814865014 727007014 /nfs/dbraw/zinc/00/70/14/727007014.db2.gz MSUAFDROVIKNDZ-UHFFFAOYSA-N -1 1 362.451 3.183 20 30 FGEDMM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400447 729407872 /nfs/dbraw/zinc/40/78/72/729407872.db2.gz ZGUBZNQBCZIJJN-UPHRSURJSA-N -1 1 358.810 3.413 20 30 FGEDMM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400447 729407873 /nfs/dbraw/zinc/40/78/73/729407873.db2.gz ZGUBZNQBCZIJJN-UPHRSURJSA-N -1 1 358.810 3.413 20 30 FGEDMM O=c1nc(N=NC2CCC[C@H](c3cccc(Cl)c3)C2)nc2[nH][n-]cc1-2 ZINC000841623438 730260732 /nfs/dbraw/zinc/26/07/32/730260732.db2.gz KGINRASTFQTRKY-NSHDSACASA-N -1 1 356.817 3.211 20 30 FGEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cc2n(n1)CCCC2 ZINC000848401773 731161153 /nfs/dbraw/zinc/16/11/53/731161153.db2.gz IXFXYASFUQQICK-UHFFFAOYSA-N -1 1 370.507 3.274 20 30 FGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1c(Cl)cnn1C ZINC000850758716 731385770 /nfs/dbraw/zinc/38/57/70/731385770.db2.gz CSNZRVMQMGXBTG-CYBMUJFWSA-N -1 1 358.829 3.159 20 30 FGEDMM CO[C@H](CN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000853300697 731692531 /nfs/dbraw/zinc/69/25/31/731692531.db2.gz ZDUQBSKDKMRSNY-GOSISDBHSA-N -1 1 359.451 3.310 20 30 FGEDMM C[C@@H]1CC(NN=Cc2csc(=NC(=O)OC(C)(C)C)[n-]2)C[C@@H](C)O1 ZINC000901301951 743249915 /nfs/dbraw/zinc/24/99/15/743249915.db2.gz YOVXNMJEVMPWOB-GHMZBOCLSA-N -1 1 354.476 3.370 20 30 FGEDMM N#CC1(C[N-]C(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000902931669 743789746 /nfs/dbraw/zinc/78/97/46/743789746.db2.gz VUPFGNPFFOGQNG-UHFFFAOYSA-N -1 1 353.678 3.266 20 30 FGEDMM CC#CC[C@H](NCc1c(C)nn(-c2cccc(Cl)c2)c1Cl)C(=O)[O-] ZINC000904059607 743921833 /nfs/dbraw/zinc/92/18/33/743921833.db2.gz YAAKEHWXHKDLRV-HNNXBMFYSA-N -1 1 366.248 3.444 20 30 FGEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Cl)ccc1Cl ZINC000914599202 757808901 /nfs/dbraw/zinc/80/89/01/757808901.db2.gz ALMUMFSMMCMHCL-UHFFFAOYSA-N -1 1 368.245 3.456 20 30 FGEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)nc2ccccc21 ZINC000097261636 222171500 /nfs/dbraw/zinc/17/15/00/222171500.db2.gz GGFFEZYIJNSOKY-CYBMUJFWSA-N -1 1 359.364 3.388 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C(=O)OC(C)C ZINC000577018488 505646341 /nfs/dbraw/zinc/64/63/41/505646341.db2.gz ODGNYFFZIXGVRW-UHFFFAOYSA-N -1 1 358.419 3.233 20 30 FGEDMM N#Cc1ccc(N2CCC(NC(=O)c3cc4ccccc4cc3[O-])CC2)nc1 ZINC000066526699 494349629 /nfs/dbraw/zinc/34/96/29/494349629.db2.gz KAMMNJLDOPJYFP-UHFFFAOYSA-N -1 1 372.428 3.211 20 30 FGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1OC ZINC000026536287 494830317 /nfs/dbraw/zinc/83/03/17/494830317.db2.gz OYZNWOMZRGQSDA-UHFFFAOYSA-N -1 1 366.826 3.338 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1Cl ZINC000121797521 494862469 /nfs/dbraw/zinc/86/24/69/494862469.db2.gz BIMHAYYEQPDEII-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccn1 ZINC000122112958 494925630 /nfs/dbraw/zinc/92/56/30/494925630.db2.gz LSXQLRJRROYECU-AWEZNQCLSA-N -1 1 370.416 3.206 20 30 FGEDMM C=C[C@@H](CC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000129586179 495266082 /nfs/dbraw/zinc/26/60/82/495266082.db2.gz VEXCPSCGJZLFED-AWEZNQCLSA-N -1 1 374.462 3.365 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c(F)c1 ZINC000135511575 495303899 /nfs/dbraw/zinc/30/38/99/495303899.db2.gz PZZYYDVINNCIGL-UHFFFAOYSA-N -1 1 366.324 3.312 20 30 FGEDMM N#C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCN1Cc1ccccc1 ZINC000114310828 495361007 /nfs/dbraw/zinc/36/10/07/495361007.db2.gz XFZWAMBAXRQSLZ-HXUWFJFHSA-N -1 1 371.440 3.396 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)cc1 ZINC000114673628 495407583 /nfs/dbraw/zinc/40/75/83/495407583.db2.gz YFSNWJASPSOVIW-UHFFFAOYSA-N -1 1 371.462 3.053 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000114673587 495407939 /nfs/dbraw/zinc/40/79/39/495407939.db2.gz KDFITZVXPSREQK-GOSISDBHSA-N -1 1 372.446 3.225 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000176206337 495545995 /nfs/dbraw/zinc/54/59/95/495545995.db2.gz PXSNFJMCDCLODR-UHFFFAOYSA-N -1 1 366.402 3.286 20 30 FGEDMM Cc1csc(C(C#N)=C([O-])c2cc3c(c(Br)c2)OCO3)n1 ZINC000147457228 495575495 /nfs/dbraw/zinc/57/54/95/495575495.db2.gz SGZHMNJJJMFHKE-SECBINFHSA-N -1 1 365.208 3.433 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000177990584 496278573 /nfs/dbraw/zinc/27/85/73/496278573.db2.gz NPARADZMFXGMJG-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153964961 496637653 /nfs/dbraw/zinc/63/76/53/496637653.db2.gz IOQDUTZXLAWKAB-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000154148191 496696372 /nfs/dbraw/zinc/69/63/72/496696372.db2.gz CWWFOPPZCOLWLT-UHFFFAOYSA-N -1 1 364.854 3.399 20 30 FGEDMM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188593742 496845299 /nfs/dbraw/zinc/84/52/99/496845299.db2.gz ZPVHLWOJOVOIPG-FQEVSTJZSA-N -1 1 364.445 3.436 20 30 FGEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C1CC1 ZINC000274058088 497003993 /nfs/dbraw/zinc/00/39/93/497003993.db2.gz HZCPYGZDHZEZFV-UHFFFAOYSA-N -1 1 368.458 3.034 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1[O-] ZINC000189222130 497050838 /nfs/dbraw/zinc/05/08/38/497050838.db2.gz YXQMYDQTRFXPCN-QGZVFWFLSA-N -1 1 360.772 3.270 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2Cl)o1 ZINC000575111280 505923895 /nfs/dbraw/zinc/92/38/95/505923895.db2.gz GRHTUDQUBQDVLI-UHFFFAOYSA-N -1 1 359.234 3.369 20 30 FGEDMM N#Cc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cc1[O-] ZINC000190972834 497666971 /nfs/dbraw/zinc/66/69/71/497666971.db2.gz HPWKVBSUMZASFS-UHFFFAOYSA-N -1 1 370.836 3.395 20 30 FGEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000364501974 497989928 /nfs/dbraw/zinc/98/99/28/497989928.db2.gz OGWUANFUUPKHTL-UHFFFAOYSA-N -1 1 373.416 3.190 20 30 FGEDMM C=CCOc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1 ZINC000285809991 498207020 /nfs/dbraw/zinc/20/70/20/498207020.db2.gz FFIOGIOGTQRLEB-UHFFFAOYSA-N -1 1 355.438 3.283 20 30 FGEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000569948812 506054311 /nfs/dbraw/zinc/05/43/11/506054311.db2.gz VUIRETQDQGBHIN-QMMMGPOBSA-N -1 1 369.643 3.212 20 30 FGEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(C(F)(F)F)cs1 ZINC000287125167 498639725 /nfs/dbraw/zinc/63/97/25/498639725.db2.gz AIZNZVDOBGJPNH-QMMMGPOBSA-N -1 1 365.358 3.056 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1F ZINC000579181525 506110724 /nfs/dbraw/zinc/11/07/24/506110724.db2.gz OYOZEWHJYATBQD-UHFFFAOYSA-N -1 1 369.299 3.389 20 30 FGEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccccc1F ZINC000429568422 500104983 /nfs/dbraw/zinc/10/49/83/500104983.db2.gz PSSGQXYPEDSUBG-ZDUSSCGKSA-N -1 1 374.379 3.390 20 30 FGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427315644 500380704 /nfs/dbraw/zinc/38/07/04/500380704.db2.gz OVRQVTOUXVIFBK-UHFFFAOYSA-N -1 1 358.448 3.319 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1OC(C)C ZINC000427335345 500382698 /nfs/dbraw/zinc/38/26/98/500382698.db2.gz NBKCNAUMBYXCEU-UHFFFAOYSA-N -1 1 364.398 3.294 20 30 FGEDMM N#Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1[O-] ZINC000442945868 500651147 /nfs/dbraw/zinc/65/11/47/500651147.db2.gz PEWKWPNPDRERPN-UHFFFAOYSA-N -1 1 356.809 3.353 20 30 FGEDMM CC1(C)[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C[C@H]1OCc1ccccc1 ZINC000443125845 500684703 /nfs/dbraw/zinc/68/47/03/500684703.db2.gz XCMPLAILJYIQBT-RTBURBONSA-N -1 1 350.418 3.378 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435715019 501015832 /nfs/dbraw/zinc/01/58/32/501015832.db2.gz NMOAUPHPPFWCQS-UHFFFAOYSA-N -1 1 354.435 3.361 20 30 FGEDMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435737067 501020341 /nfs/dbraw/zinc/02/03/41/501020341.db2.gz DGWSPBBJGYXCDE-UHFFFAOYSA-N -1 1 372.446 3.163 20 30 FGEDMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435746928 501022420 /nfs/dbraw/zinc/02/24/20/501022420.db2.gz BZNOGMYCOIDSBD-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)ccc1C#N ZINC000446809306 501167143 /nfs/dbraw/zinc/16/71/43/501167143.db2.gz QJQXZMCQJZMPCN-UHFFFAOYSA-N -1 1 352.419 3.068 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481957956 501929672 /nfs/dbraw/zinc/92/96/72/501929672.db2.gz IEHBPMDEXDPKCX-UHFFFAOYSA-N -1 1 352.362 3.311 20 30 FGEDMM CCCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC000476214198 502416629 /nfs/dbraw/zinc/41/66/29/502416629.db2.gz DLJJCUNJHIHEQF-HNNXBMFYSA-N -1 1 372.531 3.280 20 30 FGEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000473129436 502524277 /nfs/dbraw/zinc/52/42/77/502524277.db2.gz XOXXMCGPKVWLRE-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM N#CC(=C([O-])c1cc(F)ccc1-n1cccn1)c1cnc2ccccc2n1 ZINC000483987741 502542393 /nfs/dbraw/zinc/54/23/93/502542393.db2.gz PKDLUMUYQXZRCP-HNNXBMFYSA-N -1 1 357.348 3.445 20 30 FGEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)n[nH]1 ZINC000484633078 502690227 /nfs/dbraw/zinc/69/02/27/502690227.db2.gz NVZRRKNSHCDFOR-UHFFFAOYSA-N -1 1 367.434 3.069 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1F ZINC000489692270 503012776 /nfs/dbraw/zinc/01/27/76/503012776.db2.gz SMQMERYBBPVBEK-ZDUSSCGKSA-N -1 1 350.337 3.097 20 30 FGEDMM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc(C(F)(F)F)ccc1F ZINC000510506930 503128029 /nfs/dbraw/zinc/12/80/29/503128029.db2.gz VORFDMHMXQMYJK-UHFFFAOYSA-N -1 1 365.270 3.465 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)s1 ZINC000508088103 503428359 /nfs/dbraw/zinc/42/83/59/503428359.db2.gz YCNQMJOYOKXYCF-UHFFFAOYSA-N -1 1 362.810 3.343 20 30 FGEDMM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c(F)ccc([O-])c1F ZINC000537286818 503869121 /nfs/dbraw/zinc/86/91/21/503869121.db2.gz OSUFFNRSVPNEOA-UHFFFAOYSA-N -1 1 355.262 3.471 20 30 FGEDMM C=CC1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000546918853 503926680 /nfs/dbraw/zinc/92/66/80/503926680.db2.gz YJRMTRTYTKBZHU-UHFFFAOYSA-N -1 1 357.191 3.035 20 30 FGEDMM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000544872068 504286515 /nfs/dbraw/zinc/28/65/15/504286515.db2.gz PUTPDSDYGANUBS-GFCCVEGCSA-N -1 1 357.364 3.142 20 30 FGEDMM C=C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000521443020 504738669 /nfs/dbraw/zinc/73/86/69/504738669.db2.gz BRBAYNHZTFJCBO-UHFFFAOYSA-N -1 1 356.447 3.280 20 30 FGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000557812947 505236332 /nfs/dbraw/zinc/23/63/32/505236332.db2.gz MNSYWCAPKLQDIY-UHFFFAOYSA-N -1 1 372.368 3.426 20 30 FGEDMM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1Cc1ccccc1 ZINC000566954073 505321311 /nfs/dbraw/zinc/32/13/11/505321311.db2.gz ZHLHRSJCGZWBQT-INIZCTEOSA-N -1 1 369.428 3.388 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000567719169 505548419 /nfs/dbraw/zinc/54/84/19/505548419.db2.gz DTIGSJKGFLQMAX-MRXNPFEDSA-N -1 1 362.407 3.420 20 30 FGEDMM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168766 506467560 /nfs/dbraw/zinc/46/75/60/506467560.db2.gz AAYJBZWMZGAXTF-UHFFFAOYSA-N -1 1 374.444 3.369 20 30 FGEDMM Cc1ccc(-c2cc(=NC(=O)CSc3ccc(C#N)cc3)[nH][n-]2)s1 ZINC000609135271 506787602 /nfs/dbraw/zinc/78/76/02/506787602.db2.gz BZCNVXWELKPEJB-UHFFFAOYSA-N -1 1 354.460 3.471 20 30 FGEDMM COCc1ccccc1CS(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000583776132 506966186 /nfs/dbraw/zinc/96/61/86/506966186.db2.gz RGMNWQLDLKESIU-UHFFFAOYSA-N -1 1 367.430 3.195 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000590914642 507026956 /nfs/dbraw/zinc/02/69/56/507026956.db2.gz HXMHJVDXADPLHJ-HNNXBMFYSA-N -1 1 368.355 3.085 20 30 FGEDMM CCO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000600648254 507049625 /nfs/dbraw/zinc/04/96/25/507049625.db2.gz NRACQGOZXHNSOR-XJKSGUPXSA-N -1 1 368.524 3.495 20 30 FGEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000600778032 507116465 /nfs/dbraw/zinc/11/64/65/507116465.db2.gz MTWZFNBEVSIQFG-UHFFFAOYSA-N -1 1 369.389 3.017 20 30 FGEDMM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc([O-])cc(C#N)c2)CO1 ZINC000597935355 507184505 /nfs/dbraw/zinc/18/45/05/507184505.db2.gz SMPDWXGWRPBPEI-GOSISDBHSA-N -1 1 350.418 3.474 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000614370515 507482311 /nfs/dbraw/zinc/48/23/11/507482311.db2.gz HWXSSVUZTYOQLN-UHFFFAOYSA-N -1 1 352.781 3.414 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000592351026 507612944 /nfs/dbraw/zinc/61/29/44/507612944.db2.gz MVZDYTVTJBZTBR-ZFWWWQNUSA-N -1 1 356.513 3.351 20 30 FGEDMM COC(=O)COc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592398682 507638900 /nfs/dbraw/zinc/63/89/00/507638900.db2.gz FVMJWSQONQQJEH-AWEZNQCLSA-N -1 1 356.403 3.062 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(-c3ccccc3)c2)o1 ZINC000588119804 507766180 /nfs/dbraw/zinc/76/61/80/507766180.db2.gz NAICZTSIOCJSDS-UHFFFAOYSA-N -1 1 352.415 3.339 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2nccc3ccccc32)o1 ZINC000735850446 598936541 /nfs/dbraw/zinc/93/65/41/598936541.db2.gz FILHFIASJWIKRR-UHFFFAOYSA-N -1 1 362.397 3.047 20 30 FGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1nccnc1-c1nnn[n-]1 ZINC000737280364 598348704 /nfs/dbraw/zinc/34/87/04/598348704.db2.gz QWIVXBXFRCTIFJ-UHFFFAOYSA-N -1 1 370.376 3.373 20 30 FGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1Nc1nccnc1-c1nn[n-]n1 ZINC000737280364 598348706 /nfs/dbraw/zinc/34/87/06/598348706.db2.gz QWIVXBXFRCTIFJ-UHFFFAOYSA-N -1 1 370.376 3.373 20 30 FGEDMM C#C[C@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000819688154 599624898 /nfs/dbraw/zinc/62/48/98/599624898.db2.gz DUBBTIJPNYXFLL-NSHDSACASA-N -1 1 368.780 3.491 20 30 FGEDMM CC[C@@H](C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828700910 601300833 /nfs/dbraw/zinc/30/08/33/601300833.db2.gz UQMRDUVFTAFUFZ-AUUYWEPGSA-N -1 1 365.433 3.458 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000825264649 604207461 /nfs/dbraw/zinc/20/74/61/604207461.db2.gz MLBOJUYIMDXULG-CHWSQXEVSA-N -1 1 351.834 3.110 20 30 FGEDMM N#CC(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000831064307 604224990 /nfs/dbraw/zinc/22/49/90/604224990.db2.gz FJUKALHJDHIJSA-GARJFASQSA-N -1 1 362.336 3.044 20 30 FGEDMM N#Cc1cccc(CN[C@@H]2C[C@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)c1 ZINC000833978266 605632674 /nfs/dbraw/zinc/63/26/74/605632674.db2.gz HMEXESJYUIYBGJ-NQIIRXRSSA-N -1 1 363.417 3.294 20 30 FGEDMM N#CC(C(=O)CCCCNC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000833962001 605909355 /nfs/dbraw/zinc/90/93/55/605909355.db2.gz WKOGISVOMHAWNP-GFCCVEGCSA-N -1 1 372.208 3.079 20 30 FGEDMM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403144 608094180 /nfs/dbraw/zinc/09/41/80/608094180.db2.gz KYTXIXDNUOOGCX-PLNGDYQASA-N -1 1 366.431 3.343 20 30 FGEDMM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403144 608094181 /nfs/dbraw/zinc/09/41/81/608094181.db2.gz KYTXIXDNUOOGCX-PLNGDYQASA-N -1 1 366.431 3.343 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3cccc(F)c23)o1 ZINC000824280174 608110023 /nfs/dbraw/zinc/11/00/23/608110023.db2.gz FPSKSHMNQZBXAD-UHFFFAOYSA-N -1 1 368.376 3.120 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826380241 608188313 /nfs/dbraw/zinc/18/83/13/608188313.db2.gz SCGURIALBMDMJI-NEPJUHHUSA-N -1 1 371.857 3.253 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826380241 608188315 /nfs/dbraw/zinc/18/83/15/608188315.db2.gz SCGURIALBMDMJI-NEPJUHHUSA-N -1 1 371.857 3.253 20 30 FGEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(C)n3)n2)n[n-]c1=S ZINC000026095503 695680563 /nfs/dbraw/zinc/68/05/63/695680563.db2.gz DLBLXVGNUYFXKI-UHFFFAOYSA-N -1 1 372.479 3.130 20 30 FGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1Cl ZINC000044256301 695806424 /nfs/dbraw/zinc/80/64/24/695806424.db2.gz PRLYQINJASSKJS-UHFFFAOYSA-N -1 1 360.778 3.119 20 30 FGEDMM C#C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000123998758 700713592 /nfs/dbraw/zinc/71/35/92/700713592.db2.gz OOVAKTNSCMSORQ-ZCFIWIBFSA-N -1 1 357.056 3.056 20 30 FGEDMM COc1cc(Cl)c(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Cl ZINC000125257645 700733397 /nfs/dbraw/zinc/73/33/97/700733397.db2.gz FINGVQGKMBOMKR-BWPKMQGJSA-N -1 1 355.173 3.230 20 30 FGEDMM CC(C)(C#N)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000180177114 705731502 /nfs/dbraw/zinc/73/15/02/705731502.db2.gz HEGVNXZMVOMKHW-UHFFFAOYSA-N -1 1 358.419 3.194 20 30 FGEDMM C#CCC(C)(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000184359503 712671360 /nfs/dbraw/zinc/67/13/60/712671360.db2.gz CEFVGMXUTYSGPD-UHFFFAOYSA-N -1 1 356.447 3.475 20 30 FGEDMM C#Cc1cccc(NC(=S)NN=Cc2cccc(Br)c2[O-])c1 ZINC000727261431 722442761 /nfs/dbraw/zinc/44/27/61/722442761.db2.gz GOUFFIUBQOYGBI-UHFFFAOYSA-N -1 1 374.263 3.457 20 30 FGEDMM O=C([O-])C(F)(F)Oc1ccc(/C=C\C(=O)c2ccc(O)c(F)c2)cc1 ZINC000730729653 722470214 /nfs/dbraw/zinc/47/02/14/722470214.db2.gz LINCRBLFSPOARF-CLTKARDFSA-N -1 1 352.264 3.484 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000730995343 722472523 /nfs/dbraw/zinc/47/25/23/722472523.db2.gz FSMIEQZOIABQDP-UHFFFAOYSA-N -1 1 351.811 3.161 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCCCc2ccccc21 ZINC000748255580 722682045 /nfs/dbraw/zinc/68/20/45/722682045.db2.gz ZCTUXKHLWZHDLB-UHFFFAOYSA-N -1 1 359.407 3.004 20 30 FGEDMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)Nc1ccccc1C#N ZINC000748478868 722693265 /nfs/dbraw/zinc/69/32/65/722693265.db2.gz OFQPIWAVXHGISI-SECBINFHSA-N -1 1 362.744 3.240 20 30 FGEDMM CCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000750936638 722786900 /nfs/dbraw/zinc/78/69/00/722786900.db2.gz GGTONUGIJNBEFG-UHFFFAOYSA-N -1 1 353.444 3.361 20 30 FGEDMM CC(=NNC(=S)NCc1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000757459975 722976501 /nfs/dbraw/zinc/97/65/01/722976501.db2.gz KEAOBHDAOSXJCF-UHFFFAOYSA-N -1 1 353.369 3.198 20 30 FGEDMM C#C[C@@H](CCC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000791200172 723219244 /nfs/dbraw/zinc/21/92/44/723219244.db2.gz MBTFWTOMINFGBC-INIZCTEOSA-N -1 1 356.447 3.019 20 30 FGEDMM CSCCNC(=S)NN=C(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000766029723 723552250 /nfs/dbraw/zinc/55/22/50/723552250.db2.gz NOKHRGPOSLVXTR-UHFFFAOYSA-N -1 1 352.312 3.250 20 30 FGEDMM COC(=O)C1(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000766854892 723595901 /nfs/dbraw/zinc/59/59/01/723595901.db2.gz ZHNPOYMFELUDMX-SECBINFHSA-N -1 1 362.357 3.218 20 30 FGEDMM Cn1ncc2c1nc(N=NC1CCCCc3ccc(Cl)cc31)[n-]c2=O ZINC000769817422 723696756 /nfs/dbraw/zinc/69/67/56/723696756.db2.gz MGYYKRYUCDOCNN-UHFFFAOYSA-N -1 1 356.817 3.265 20 30 FGEDMM C#C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000770361230 723711964 /nfs/dbraw/zinc/71/19/64/723711964.db2.gz MLNWPAILCDFQRS-LURJTMIESA-N -1 1 357.056 3.056 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)n1 ZINC000775170929 723967830 /nfs/dbraw/zinc/96/78/30/723967830.db2.gz QAGFTJSWGNXDDY-UHFFFAOYSA-N -1 1 358.206 3.069 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c(F)c1 ZINC000800838781 724234802 /nfs/dbraw/zinc/23/48/02/724234802.db2.gz LRUMJWJDNBVQMH-UHFFFAOYSA-N -1 1 364.785 3.280 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(F)c1 ZINC000788218203 725050636 /nfs/dbraw/zinc/05/06/36/725050636.db2.gz YSFJGAYEPOORSA-UHFFFAOYSA-N -1 1 355.734 3.060 20 30 FGEDMM C=CCO[N-]C(=O)C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000837050148 729989276 /nfs/dbraw/zinc/98/92/76/729989276.db2.gz WAAZBMLKHNOJBE-UHFFFAOYSA-N -1 1 372.234 3.161 20 30 FGEDMM CC[C@H](NN=Cc1ccc(N2CCCCC2)c(Br)c1)C(=O)[O-] ZINC000841642528 730261428 /nfs/dbraw/zinc/26/14/28/730261428.db2.gz UOFIMMXPCQRTGH-AWEZNQCLSA-N -1 1 368.275 3.226 20 30 FGEDMM CC[C@H]1COCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000853300556 731692544 /nfs/dbraw/zinc/69/25/44/731692544.db2.gz STNLLLLFGTWWGJ-AWEZNQCLSA-N -1 1 359.451 3.312 20 30 FGEDMM C=CC(C)(C)CCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000858668030 732236683 /nfs/dbraw/zinc/23/66/83/732236683.db2.gz KGSXNYRHUCBTDO-AVGNSLFASA-N -1 1 363.424 3.076 20 30 FGEDMM C#C[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(C)cc1 ZINC000860965298 732600726 /nfs/dbraw/zinc/60/07/26/732600726.db2.gz HTRPBJTYHLAZBA-INIZCTEOSA-N -1 1 356.447 3.371 20 30 FGEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674640 739178898 /nfs/dbraw/zinc/17/88/98/739178898.db2.gz TVVLSEDUKKATFW-UHFFFAOYSA-N -1 1 364.808 3.483 20 30 FGEDMM Cc1nn(C)c(C)c1OCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378725 743262871 /nfs/dbraw/zinc/26/28/71/743262871.db2.gz KGOUUQIKBMKBOZ-UHFFFAOYSA-N -1 1 358.225 3.141 20 30 FGEDMM C=CCOc1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1OC ZINC000901788869 743641659 /nfs/dbraw/zinc/64/16/59/743641659.db2.gz XBDTYDJVPYCZSI-INIZCTEOSA-N -1 1 359.344 3.099 20 30 FGEDMM N#Cc1ccc(C2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)nc1 ZINC000912935709 757405502 /nfs/dbraw/zinc/40/55/02/757405502.db2.gz CBLYSJHQTPRKLR-UHFFFAOYSA-N -1 1 355.825 3.261 20 30 FGEDMM CC(CC(C)(C)c1ccccc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000915962466 758012394 /nfs/dbraw/zinc/01/23/94/758012394.db2.gz QTCBQRUQIQIRGW-UHFFFAOYSA-N -1 1 355.463 3.469 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C#N)cc2)cc1C ZINC000916070800 758032695 /nfs/dbraw/zinc/03/26/95/758032695.db2.gz FCLKHVHWEFLCDX-AWEZNQCLSA-N -1 1 358.419 3.173 20 30 FGEDMM CCCCC1N=NC(=S)N1N=Cc1ccc([O-])c(Br)c1 ZINC000916302257 758066757 /nfs/dbraw/zinc/06/67/57/758066757.db2.gz MPHYMQYCBMFQAZ-UHFFFAOYSA-N -1 1 355.261 3.260 20 30 FGEDMM C=C(C)COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000916603287 758105633 /nfs/dbraw/zinc/10/56/33/758105633.db2.gz SZNDMQJPKCXONH-UHFFFAOYSA-N -1 1 363.410 3.288 20 30 FGEDMM COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000917751106 758266284 /nfs/dbraw/zinc/26/62/84/758266284.db2.gz UMDOFFCRTOCGDA-UHFFFAOYSA-N -1 1 365.798 3.191 20 30 FGEDMM Cc1ccc(OCc2nc(C=NNc3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000920360098 758541430 /nfs/dbraw/zinc/54/14/30/758541430.db2.gz VCNXRQLDBPRDRU-UHFFFAOYSA-N -1 1 355.423 3.281 20 30 FGEDMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnc(C#N)n2)cc1 ZINC000576752279 505585634 /nfs/dbraw/zinc/58/56/34/505585634.db2.gz UCPHQFDUNPWGGS-UHFFFAOYSA-N -1 1 367.434 3.063 20 30 FGEDMM C=CCC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)n1 ZINC000568406822 505687388 /nfs/dbraw/zinc/68/73/88/505687388.db2.gz KEVRIHMUZQEPNG-UHFFFAOYSA-N -1 1 353.444 3.260 20 30 FGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000063878492 494096373 /nfs/dbraw/zinc/09/63/73/494096373.db2.gz UDRZLLZTHVWTAD-UHFFFAOYSA-N -1 1 363.398 3.386 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)c1 ZINC000064477097 494126630 /nfs/dbraw/zinc/12/66/30/494126630.db2.gz KFRNHRPSIZGFOJ-UHFFFAOYSA-N -1 1 360.435 3.401 20 30 FGEDMM CC(C)n1c(CNC(=O)Nc2ccc(C#N)c(Cl)c2)n[n-]c1=S ZINC000085550387 494130639 /nfs/dbraw/zinc/13/06/39/494130639.db2.gz GIFDUCFUIIXSHO-UHFFFAOYSA-N -1 1 350.835 3.368 20 30 FGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000568511548 505712706 /nfs/dbraw/zinc/71/27/06/505712706.db2.gz OWOYZBAFJPMMHN-DOMZBBRYSA-N -1 1 354.497 3.248 20 30 FGEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OCC ZINC000073353793 494361876 /nfs/dbraw/zinc/36/18/76/494361876.db2.gz COAZGUDHJUNSIL-UHFFFAOYSA-N -1 1 360.435 3.465 20 30 FGEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000055648252 494381812 /nfs/dbraw/zinc/38/18/12/494381812.db2.gz DIHIMVYXPKTBJZ-UHFFFAOYSA-N -1 1 371.462 3.277 20 30 FGEDMM N#Cc1cccnc1N1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000097680422 495041743 /nfs/dbraw/zinc/04/17/43/495041743.db2.gz VYTTVTILUGFRBC-UHFFFAOYSA-N -1 1 372.428 3.165 20 30 FGEDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2ccccc21 ZINC000128247911 495067052 /nfs/dbraw/zinc/06/70/52/495067052.db2.gz VKPWYCATHZGUIA-OAHLLOKOSA-N -1 1 371.418 3.167 20 30 FGEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000123510133 495143976 /nfs/dbraw/zinc/14/39/76/495143976.db2.gz LGOMDUIABXTNHT-KRWDZBQOSA-N -1 1 355.825 3.068 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000134455032 495152409 /nfs/dbraw/zinc/15/24/09/495152409.db2.gz ULYLHYARJLBKKX-UHFFFAOYSA-N -1 1 360.435 3.319 20 30 FGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000123729463 495177208 /nfs/dbraw/zinc/17/72/08/495177208.db2.gz KHEIKWCONAOGTJ-UHFFFAOYSA-N -1 1 372.837 3.257 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1Cl ZINC000135237563 495267133 /nfs/dbraw/zinc/26/71/33/495267133.db2.gz YDWLRJKESQMHCC-UHFFFAOYSA-N -1 1 372.631 3.170 20 30 FGEDMM CCCc1n[n-]c(=S)n1CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000104316769 495276973 /nfs/dbraw/zinc/27/69/73/495276973.db2.gz UZLIJBWXPVDXOR-CYBMUJFWSA-N -1 1 357.483 3.375 20 30 FGEDMM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000154171071 495534106 /nfs/dbraw/zinc/53/41/06/495534106.db2.gz ZVTDPVYTWZCCJH-UHFFFAOYSA-N -1 1 358.463 3.362 20 30 FGEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2[nH]1 ZINC000182496872 495586567 /nfs/dbraw/zinc/58/65/67/495586567.db2.gz CZYKUUHDEHNYJU-UHFFFAOYSA-N -1 1 367.430 3.071 20 30 FGEDMM C#CCCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000179973044 495806795 /nfs/dbraw/zinc/80/67/95/495806795.db2.gz DNAHPBHQPWAQQC-UHFFFAOYSA-N -1 1 370.474 3.297 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3cccc(C)c3)nc(=O)c2c1C ZINC000155449221 495960035 /nfs/dbraw/zinc/96/00/35/495960035.db2.gz NSFLSHCYJNVYBW-ZDUSSCGKSA-N -1 1 352.419 3.156 20 30 FGEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000186427670 495995245 /nfs/dbraw/zinc/99/52/45/495995245.db2.gz BNPXNVHZAREWSR-QMMMGPOBSA-N -1 1 369.643 3.212 20 30 FGEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000183733992 496096444 /nfs/dbraw/zinc/09/64/44/496096444.db2.gz ZHGTWMSXSDTHBB-AWEZNQCLSA-N -1 1 368.842 3.033 20 30 FGEDMM COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187706609 496540486 /nfs/dbraw/zinc/54/04/86/496540486.db2.gz ULAXYYSHZSELAH-GOSISDBHSA-N -1 1 366.417 3.094 20 30 FGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000184870503 496565030 /nfs/dbraw/zinc/56/50/30/496565030.db2.gz VPKAKVVSWUVPBA-UHFFFAOYSA-N -1 1 363.414 3.327 20 30 FGEDMM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185034056 496630894 /nfs/dbraw/zinc/63/08/94/496630894.db2.gz JZGFTYNYOBFTLW-ZCFIWIBFSA-N -1 1 372.071 3.194 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000154078476 496677097 /nfs/dbraw/zinc/67/70/97/496677097.db2.gz AXSNBUMJCXUHEU-LLVKDONJSA-N -1 1 366.389 3.070 20 30 FGEDMM C=CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000154132020 496692551 /nfs/dbraw/zinc/69/25/51/496692551.db2.gz DLIHLHIXOKDOBP-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM C=C[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000154146231 496695249 /nfs/dbraw/zinc/69/52/49/496695249.db2.gz WLLYMNCMLDGRGN-HNNXBMFYSA-N -1 1 358.463 3.409 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1[O-] ZINC000188477318 496803538 /nfs/dbraw/zinc/80/35/38/496803538.db2.gz TWWUZGMPZNLQKW-MRXNPFEDSA-N -1 1 352.365 3.138 20 30 FGEDMM Cc1ccc(C)c([C@@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)[C@@H](C)CO2)c1 ZINC000188565655 496834067 /nfs/dbraw/zinc/83/40/67/496834067.db2.gz OHKCUOQAYJIMET-YWZLYKJASA-N -1 1 350.418 3.483 20 30 FGEDMM CC[C@](C)(COc1ncccc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188953769 496958131 /nfs/dbraw/zinc/95/81/31/496958131.db2.gz KKBJZKLULVPDRI-GOSISDBHSA-N -1 1 359.813 3.290 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1C#N ZINC000235898024 497114552 /nfs/dbraw/zinc/11/45/52/497114552.db2.gz SADBRXUYXQFPIT-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM C=CCC1(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2[O-])CCC1 ZINC000189940554 497299787 /nfs/dbraw/zinc/29/97/87/497299787.db2.gz WSFAMPOXBRXREW-UHFFFAOYSA-N -1 1 366.483 3.108 20 30 FGEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193354805 497359215 /nfs/dbraw/zinc/35/92/15/497359215.db2.gz VZPQORHWPUDXGT-UHFFFAOYSA-N -1 1 358.419 3.039 20 30 FGEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279920011 497589103 /nfs/dbraw/zinc/58/91/03/497589103.db2.gz KOIWSIOXMNXARK-CQSZACIVSA-N -1 1 371.462 3.082 20 30 FGEDMM N#CC(=C([O-])c1ccc(OCC(F)F)nc1)c1cnc2ccccc2n1 ZINC000190989670 497674736 /nfs/dbraw/zinc/67/47/36/497674736.db2.gz DCDABRNYQLYFAJ-GFCCVEGCSA-N -1 1 354.316 3.159 20 30 FGEDMM CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000191157915 497727397 /nfs/dbraw/zinc/72/73/97/497727397.db2.gz UMUFUFKFICENEA-UHFFFAOYSA-N -1 1 374.444 3.369 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000581254405 505944061 /nfs/dbraw/zinc/94/40/61/505944061.db2.gz KHYQLCDPEQJWPT-UHFFFAOYSA-N -1 1 365.480 3.404 20 30 FGEDMM N#CC1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCC1 ZINC000330827912 498200806 /nfs/dbraw/zinc/20/08/06/498200806.db2.gz HXOSHWPPWJYBQB-UHFFFAOYSA-N -1 1 366.336 3.229 20 30 FGEDMM N#CC1([N-]S(=O)(=O)c2cccc(Br)c2F)CCCCC1 ZINC000408181681 499579448 /nfs/dbraw/zinc/57/94/48/499579448.db2.gz DYZGSNPLEHGSKE-UHFFFAOYSA-N -1 1 361.236 3.093 20 30 FGEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)CCC1 ZINC000416673910 500082126 /nfs/dbraw/zinc/08/21/26/500082126.db2.gz VFCMNSIVDHVVPQ-UHFFFAOYSA-N -1 1 369.693 3.136 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COCc2ccc(OC)cc2)c1 ZINC000416935582 500160893 /nfs/dbraw/zinc/16/08/93/500160893.db2.gz GQLBGCKVUAKVFH-LJQANCHMSA-N -1 1 374.462 3.456 20 30 FGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nnc(C)s2)cc1C ZINC000416937490 500161507 /nfs/dbraw/zinc/16/15/07/500161507.db2.gz JKAKYRMOLAPLEO-LBPRGKRZSA-N -1 1 368.509 3.350 20 30 FGEDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2SCC#N)n1 ZINC000428701624 500545850 /nfs/dbraw/zinc/54/58/50/500545850.db2.gz PVDAALBPLNZKBL-UHFFFAOYSA-N -1 1 360.464 3.091 20 30 FGEDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cccc(F)c3C#N)c2)n1 ZINC000432939608 500594398 /nfs/dbraw/zinc/59/43/98/500594398.db2.gz PBQNACYOSCMESQ-UHFFFAOYSA-N -1 1 365.368 3.271 20 30 FGEDMM Cn1ccnc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000442895966 500643239 /nfs/dbraw/zinc/64/32/39/500643239.db2.gz FTENZEOVFBEZIW-KRWDZBQOSA-N -1 1 366.808 3.170 20 30 FGEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000443422454 500723176 /nfs/dbraw/zinc/72/31/76/500723176.db2.gz JXZYTWRUMAHHNR-UHFFFAOYSA-N -1 1 358.463 3.308 20 30 FGEDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000443943895 500781045 /nfs/dbraw/zinc/78/10/45/500781045.db2.gz SLZVEEGFLJHWDG-PRHODGIISA-N -1 1 354.781 3.467 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000438759776 500817374 /nfs/dbraw/zinc/81/73/74/500817374.db2.gz IZGOWNJCIUUGBO-UHFFFAOYSA-N -1 1 373.478 3.370 20 30 FGEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1Cl ZINC000435718220 501016380 /nfs/dbraw/zinc/01/63/80/501016380.db2.gz CCDOEUDPTWXGIF-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)ccc1C#N ZINC000435720026 501017510 /nfs/dbraw/zinc/01/75/10/501017510.db2.gz UCZBRENMCWNZDA-SFHVURJKSA-N -1 1 372.446 3.225 20 30 FGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000436017960 501057783 /nfs/dbraw/zinc/05/77/83/501057783.db2.gz ISIMFDNCVWCHBH-UHFFFAOYSA-N -1 1 370.821 3.469 20 30 FGEDMM CC#CCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436903316 501230360 /nfs/dbraw/zinc/23/03/60/501230360.db2.gz MIHGSJZDRKELHK-UHFFFAOYSA-N -1 1 358.344 3.066 20 30 FGEDMM N#Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1[O-] ZINC000457931854 501337668 /nfs/dbraw/zinc/33/76/68/501337668.db2.gz OLDXSZLVYGKCPV-OAHLLOKOSA-N -1 1 368.355 3.085 20 30 FGEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000451731723 501362077 /nfs/dbraw/zinc/36/20/77/501362077.db2.gz FCLAMYYIKLFELM-IUCAKERBSA-N -1 1 351.230 3.493 20 30 FGEDMM C=CC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000452773403 501560097 /nfs/dbraw/zinc/56/00/97/501560097.db2.gz BDRISZPMUNLIRK-GOSISDBHSA-N -1 1 366.461 3.478 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1NC(=O)N(C)C ZINC000478680381 502055301 /nfs/dbraw/zinc/05/53/01/502055301.db2.gz ZWBCLBXOKPHPFW-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)n[nH]1 ZINC000475786200 502291030 /nfs/dbraw/zinc/29/10/30/502291030.db2.gz BXHRKXVSYTYZNI-UHFFFAOYSA-N -1 1 368.418 3.377 20 30 FGEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccccc3CC#N)c2C)o1 ZINC000475810940 502297764 /nfs/dbraw/zinc/29/77/64/502297764.db2.gz KUEUZYZBDXWARK-UHFFFAOYSA-N -1 1 356.407 3.153 20 30 FGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(Br)c1 ZINC000475820587 502300121 /nfs/dbraw/zinc/30/01/21/502300121.db2.gz KAIJFWIPTQEAHX-UHFFFAOYSA-N -1 1 367.224 3.130 20 30 FGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(C)c1C ZINC000484108092 502572421 /nfs/dbraw/zinc/57/24/21/502572421.db2.gz NSRCFRMLXDQVQM-UHFFFAOYSA-N -1 1 358.419 3.071 20 30 FGEDMM CCNc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000469940511 502603852 /nfs/dbraw/zinc/60/38/52/502603852.db2.gz YJEACQIMCWYIHQ-UHFFFAOYSA-N -1 1 371.466 3.087 20 30 FGEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509716080 502974466 /nfs/dbraw/zinc/97/44/66/502974466.db2.gz YWKSQNTYKACCSQ-JTQLQIEISA-N -1 1 366.266 3.413 20 30 FGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cnc1N1CCCC[C@H]1C ZINC000502408825 503194550 /nfs/dbraw/zinc/19/45/50/503194550.db2.gz FCUQKLVCALMBIQ-OAHLLOKOSA-N -1 1 370.478 3.441 20 30 FGEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000498575047 503217618 /nfs/dbraw/zinc/21/76/18/503217618.db2.gz BUTMQHWXWOWJLH-UHFFFAOYSA-N -1 1 370.474 3.247 20 30 FGEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000508082791 503426533 /nfs/dbraw/zinc/42/65/33/503426533.db2.gz ICNYNUGNFBUQPB-LBPRGKRZSA-N -1 1 371.673 3.244 20 30 FGEDMM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c2ccccc2n1 ZINC000494402683 503536627 /nfs/dbraw/zinc/53/66/27/503536627.db2.gz JGZYSWSAMFMZCE-UHFFFAOYSA-N -1 1 351.431 3.200 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000494551611 503563077 /nfs/dbraw/zinc/56/30/77/503563077.db2.gz BOWNFIPUNKYYRR-UHFFFAOYSA-N -1 1 356.325 3.300 20 30 FGEDMM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)n[nH]c1-c1ccccc1 ZINC000538009416 504112803 /nfs/dbraw/zinc/11/28/03/504112803.db2.gz OLMPRDUDEOAYIQ-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C#N)c1C(=O)[O-] ZINC000548526154 504478577 /nfs/dbraw/zinc/47/85/77/504478577.db2.gz UMFBCMZJAKTSCK-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CC#CCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000542673057 504573362 /nfs/dbraw/zinc/57/33/62/504573362.db2.gz DFCUTHQMVYILHN-UHFFFAOYSA-N -1 1 374.437 3.078 20 30 FGEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000549719306 504879968 /nfs/dbraw/zinc/87/99/68/504879968.db2.gz YXEPNXHXBOIUJU-UHFFFAOYSA-N -1 1 373.178 3.400 20 30 FGEDMM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000553522817 504939696 /nfs/dbraw/zinc/93/96/96/504939696.db2.gz LXEMMWGZYVHQKI-ZCFIWIBFSA-N -1 1 369.258 3.344 20 30 FGEDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cncc(C#N)c3)n[nH]2)cc1 ZINC000567656903 505526737 /nfs/dbraw/zinc/52/67/37/505526737.db2.gz VAXRPMHLERVGCJ-UHFFFAOYSA-N -1 1 367.434 3.097 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)c1 ZINC000589169533 506469133 /nfs/dbraw/zinc/46/91/33/506469133.db2.gz ZBGOSNYYQFTOHZ-GOSISDBHSA-N -1 1 370.412 3.008 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000589189027 506475794 /nfs/dbraw/zinc/47/57/94/506475794.db2.gz ULEHIGNXCALOGW-QWRGUYRKSA-N -1 1 352.234 3.077 20 30 FGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000589203014 506481193 /nfs/dbraw/zinc/48/11/93/506481193.db2.gz DRPCKGXHIQRLLT-PKOBYXMFSA-N -1 1 354.381 3.395 20 30 FGEDMM COc1cccc(CC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589201123 506481500 /nfs/dbraw/zinc/48/15/00/506481500.db2.gz UUKQFTRFOCJHKN-UHFFFAOYSA-N -1 1 350.418 3.367 20 30 FGEDMM N#Cc1ccc(N2CCC[C@H]2C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000609112596 506779217 /nfs/dbraw/zinc/77/92/17/506779217.db2.gz MNAPMTYEPIUBHE-INIZCTEOSA-N -1 1 363.446 3.039 20 30 FGEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)n1 ZINC000609629700 506953587 /nfs/dbraw/zinc/95/35/87/506953587.db2.gz UVSPQYYGEBLCGU-UHFFFAOYSA-N -1 1 368.418 3.334 20 30 FGEDMM COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000600992191 507219001 /nfs/dbraw/zinc/21/90/01/507219001.db2.gz SFEOTMZURLPCSC-UHFFFAOYSA-N -1 1 358.825 3.135 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)[n-]c(=O)c1C1CC1 ZINC000601088456 507256278 /nfs/dbraw/zinc/25/62/78/507256278.db2.gz QZCYWNHZZJIOBO-NSHDSACASA-N -1 1 354.435 3.359 20 30 FGEDMM Cc1nc(SCC(=O)Nc2ccc(CC#N)cc2)[n-]c(=O)c1C1CC1 ZINC000601088703 507256737 /nfs/dbraw/zinc/25/67/37/507256737.db2.gz YTRIMHMKDKDUPQ-UHFFFAOYSA-N -1 1 354.435 3.165 20 30 FGEDMM C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)C1 ZINC000614293730 507443996 /nfs/dbraw/zinc/44/39/96/507443996.db2.gz XQKFGZRUWNAENN-GFCCVEGCSA-N -1 1 356.451 3.205 20 30 FGEDMM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298190 507446499 /nfs/dbraw/zinc/44/64/99/507446499.db2.gz OVGNAVGEEZCKBI-NSHDSACASA-N -1 1 364.323 3.480 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1 ZINC000614298829 507446770 /nfs/dbraw/zinc/44/67/70/507446770.db2.gz JFUWZAOAXVWLLL-INIZCTEOSA-N -1 1 355.369 3.246 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000614358678 507476123 /nfs/dbraw/zinc/47/61/23/507476123.db2.gz KRPFSOXVXCUJAX-UHFFFAOYSA-N -1 1 369.852 3.265 20 30 FGEDMM CC[C@](NC(=O)c1cc([O-])cc(C#N)c1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000587998409 507728911 /nfs/dbraw/zinc/72/89/11/507728911.db2.gz QKTHPUBIKKMVKE-LJQANCHMSA-N -1 1 372.808 3.126 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000588120043 507766245 /nfs/dbraw/zinc/76/62/45/507766245.db2.gz IQCNXIXUDDRMBE-HNNXBMFYSA-N -1 1 358.419 3.266 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(-c3ccc(F)cc3C)o2)o1 ZINC000737468028 598978161 /nfs/dbraw/zinc/97/81/61/598978161.db2.gz WGWGEVUHELCVAW-UHFFFAOYSA-N -1 1 367.344 3.317 20 30 FGEDMM CC(C)CC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826753962 601302791 /nfs/dbraw/zinc/30/27/91/601302791.db2.gz HVRHSZHNWSWJFW-HXUWFJFHSA-N -1 1 365.433 3.458 20 30 FGEDMM COc1cc(F)c([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832004477 601305385 /nfs/dbraw/zinc/30/53/85/601305385.db2.gz PFVVGQRKHUDBHV-BBATYDOGSA-N -1 1 358.369 3.191 20 30 FGEDMM COc1ccc(OC(F)F)c(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000832430540 601643075 /nfs/dbraw/zinc/64/30/75/601643075.db2.gz CKUNTLKHEPBIGI-MRXNPFEDSA-N -1 1 362.332 3.084 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3c2c(F)ccc3F)o1 ZINC000824141688 607530227 /nfs/dbraw/zinc/53/02/27/607530227.db2.gz MCUSCVTVPPUKBP-UHFFFAOYSA-N -1 1 373.367 3.193 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2coc3ccccc23)o1 ZINC000824280015 607532285 /nfs/dbraw/zinc/53/22/85/607532285.db2.gz BBBGHHFXDTUOPY-UHFFFAOYSA-N -1 1 351.370 3.245 20 30 FGEDMM N#CC(C(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000831065099 604215197 /nfs/dbraw/zinc/21/51/97/604215197.db2.gz OZXMUHLPCCAHPS-DLBZAZTESA-N -1 1 359.385 3.462 20 30 FGEDMM COc1ccc2nc(NN=Cc3cccn3[C@H](C)C(=O)[O-])c(C)cc2c1 ZINC000833734896 605287932 /nfs/dbraw/zinc/28/79/32/605287932.db2.gz JWLFWMSVIKPUDA-CYBMUJFWSA-N -1 1 352.394 3.445 20 30 FGEDMM FC(F)(F)Oc1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822718923 606369207 /nfs/dbraw/zinc/36/92/07/606369207.db2.gz VFUIDNHAKQVXRS-UHFFFAOYSA-N -1 1 354.317 3.273 20 30 FGEDMM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822161687 606370936 /nfs/dbraw/zinc/37/09/36/606370936.db2.gz SOXRKBQYIOCPLN-UHFFFAOYSA-N -1 1 363.244 3.445 20 30 FGEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819958022 606556066 /nfs/dbraw/zinc/55/60/66/606556066.db2.gz GUKSWDPGGNUWGV-CYBMUJFWSA-N -1 1 366.450 3.220 20 30 FGEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819958022 606556067 /nfs/dbraw/zinc/55/60/67/606556067.db2.gz GUKSWDPGGNUWGV-CYBMUJFWSA-N -1 1 366.450 3.220 20 30 FGEDMM CC#CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823944132 608102374 /nfs/dbraw/zinc/10/23/74/608102374.db2.gz YGWLQMRYYDSMIR-UHFFFAOYSA-N -1 1 367.796 3.066 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)C#N)cc2)cc1C ZINC000021741798 695647804 /nfs/dbraw/zinc/64/78/04/695647804.db2.gz AEGHIYQCGUACGA-AWEZNQCLSA-N -1 1 358.419 3.173 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2Br)c(=O)o1 ZINC000172814166 705430434 /nfs/dbraw/zinc/43/04/34/705430434.db2.gz MJNJZCSJLMNFTO-IWZWCOEHSA-N -1 1 369.598 3.331 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000174742229 705517030 /nfs/dbraw/zinc/51/70/30/705517030.db2.gz MHWMWLLLUFQIGU-UHFFFAOYSA-N -1 1 364.839 3.326 20 30 FGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(CC(C)C)n2)cc1 ZINC000195286925 713552052 /nfs/dbraw/zinc/55/20/52/713552052.db2.gz ZJCVIQGUDIRZHC-AWEZNQCLSA-N -1 1 357.435 3.311 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)nc1 ZINC000255290203 713689529 /nfs/dbraw/zinc/68/95/29/713689529.db2.gz MGDANSYNJJVJFG-FPLPWBNLSA-N -1 1 364.224 3.128 20 30 FGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c1 ZINC000619463587 714839290 /nfs/dbraw/zinc/83/92/90/714839290.db2.gz YNDQFABCKRBIMI-UHFFFAOYSA-N -1 1 362.361 3.298 20 30 FGEDMM COC(=O)c1cccc(NN=Cc2cc(O)c([O-])c(Br)c2)c1 ZINC000779826677 724429133 /nfs/dbraw/zinc/42/91/33/724429133.db2.gz NZFGKBZCCGLHGU-UHFFFAOYSA-N -1 1 365.183 3.093 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780377979 724459743 /nfs/dbraw/zinc/45/97/43/724459743.db2.gz VMOKUCNKZFPOHH-UHFFFAOYSA-N -1 1 366.389 3.341 20 30 FGEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1-n1cnnn1 ZINC000673814300 721673491 /nfs/dbraw/zinc/67/34/91/721673491.db2.gz LOLBYRYTNPAZFO-ZDUSSCGKSA-N -1 1 352.423 3.041 20 30 FGEDMM Cc1ccc(CCCC=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000783825216 724793747 /nfs/dbraw/zinc/79/37/47/724793747.db2.gz WLGSENSRNDHCTQ-UHFFFAOYSA-N -1 1 355.463 3.351 20 30 FGEDMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2C1 ZINC000783867572 724798123 /nfs/dbraw/zinc/79/81/23/724798123.db2.gz RBOADGGSWILDDX-HNNXBMFYSA-N -1 1 362.838 3.126 20 30 FGEDMM COc1ccc(NC(=S)NN=C(C)c2ccc(F)cc2[O-])cc1OC ZINC000727777589 722447309 /nfs/dbraw/zinc/44/73/09/722447309.db2.gz SFNJNOKWLAETKN-UHFFFAOYSA-N -1 1 363.414 3.259 20 30 FGEDMM O=C([O-])COc1ccc(CN=Nc2ccc(Br)cc2F)cc1 ZINC000728432893 722451663 /nfs/dbraw/zinc/45/16/63/722451663.db2.gz HIGBHGNFHYQNKQ-UHFFFAOYSA-N -1 1 367.174 3.498 20 30 FGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000743258970 722565245 /nfs/dbraw/zinc/56/52/45/722565245.db2.gz PLZIPYGQBJRAMR-UHFFFAOYSA-N -1 1 357.431 3.338 20 30 FGEDMM CC#CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000744626639 722578997 /nfs/dbraw/zinc/57/89/97/722578997.db2.gz RKBOKOUQOKKOJE-UHFFFAOYSA-N -1 1 363.822 3.321 20 30 FGEDMM N#Cc1ccccc1N1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000747337867 722643701 /nfs/dbraw/zinc/64/37/01/722643701.db2.gz WKIBLCSTALARPK-UHFFFAOYSA-N -1 1 355.825 3.316 20 30 FGEDMM C/C(C=NN=C1[N-]S(=O)(=O)c2ccccc21)=C\c1ccc(Cl)cc1 ZINC000753695742 722909754 /nfs/dbraw/zinc/90/97/54/722909754.db2.gz BFCAWFBFTORDRY-OWJNEIFXSA-N -1 1 359.838 3.468 20 30 FGEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc2ccccc2s1 ZINC000758379094 722988828 /nfs/dbraw/zinc/98/88/28/722988828.db2.gz UQXLTAIDUFVJQQ-UHFFFAOYSA-N -1 1 361.404 3.122 20 30 FGEDMM N#Cc1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)c(Cl)c([N+](=O)[O-])c1 ZINC000764302489 723405626 /nfs/dbraw/zinc/40/56/26/723405626.db2.gz PSPWNLKMNNQOAG-UHFFFAOYSA-N -1 1 352.715 3.342 20 30 FGEDMM C=CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764933027 723460834 /nfs/dbraw/zinc/46/08/34/723460834.db2.gz BNICEZOJWFMFTC-UHFFFAOYSA-N -1 1 362.227 3.078 20 30 FGEDMM N#Cc1ccccc1/C=C/C(=O)NCc1cccc(Br)c1[O-] ZINC000765730999 723535778 /nfs/dbraw/zinc/53/57/78/723535778.db2.gz FIOBIBHKRQWUOB-CMDGGOBGSA-N -1 1 357.207 3.356 20 30 FGEDMM CC(C)(C)c1ccc(-c2ccc(C=Nn3c(=O)cn[n-]c3=S)o2)cc1 ZINC000766482933 723576277 /nfs/dbraw/zinc/57/62/77/723576277.db2.gz PPWPXIYKRGRTJA-UHFFFAOYSA-N -1 1 354.435 3.367 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2[C@@H](O)C(F)(F)F)ccc1C#N ZINC000766549270 723580288 /nfs/dbraw/zinc/58/02/88/723580288.db2.gz SWLIZMQCCDEKBP-OAHLLOKOSA-N -1 1 370.352 3.263 20 30 FGEDMM C#C[C@H](CC)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000768049465 723644559 /nfs/dbraw/zinc/64/45/59/723644559.db2.gz QFELZGIJMBMQND-MRXNPFEDSA-N -1 1 361.394 3.195 20 30 FGEDMM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000796749617 723653389 /nfs/dbraw/zinc/65/33/89/723653389.db2.gz ZPANPEFXVFVTQM-SNVBAGLBSA-N -1 1 366.208 3.127 20 30 FGEDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000800052137 724136669 /nfs/dbraw/zinc/13/66/69/724136669.db2.gz IIEHFALVYFLPKO-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM C#CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccccc1 ZINC000778028061 724286561 /nfs/dbraw/zinc/28/65/61/724286561.db2.gz KPBMNQLPVSPJDC-ZDUSSCGKSA-N -1 1 355.246 3.431 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c(=O)o1 ZINC000811684658 725376726 /nfs/dbraw/zinc/37/67/26/725376726.db2.gz AGOXVVGZVLTIAB-YWVDXFKGSA-N -1 1 370.144 3.130 20 30 FGEDMM CCOC1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000814829643 727004070 /nfs/dbraw/zinc/00/40/70/727004070.db2.gz DFWVMEWIQMREFH-UHFFFAOYSA-N -1 1 359.451 3.454 20 30 FGEDMM CC[C@@H]1CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CO1 ZINC000853300484 731692513 /nfs/dbraw/zinc/69/25/13/731692513.db2.gz PSENNQDRJZEWOC-QGZVFWFLSA-N -1 1 359.451 3.454 20 30 FGEDMM Cc1nn(C)c(C)c1[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000866278938 733332338 /nfs/dbraw/zinc/33/23/38/733332338.db2.gz CQPAMYIFQBHROD-VIFPVBQESA-N -1 1 367.240 3.344 20 30 FGEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000882197419 737432045 /nfs/dbraw/zinc/43/20/45/737432045.db2.gz JCDXCPBFLRHTTL-UHFFFAOYSA-N -1 1 369.796 3.362 20 30 FGEDMM CCSCc1cccnc1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000886442266 739259831 /nfs/dbraw/zinc/25/98/31/739259831.db2.gz TXFRBBIWSRBKTH-UHFFFAOYSA-N -1 1 361.492 3.343 20 30 FGEDMM C[C@]1(CS(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)CC1(Cl)Cl ZINC000903197715 743821201 /nfs/dbraw/zinc/82/12/01/743821201.db2.gz UDCIVTYPNYVIRN-LLVKDONJSA-N -1 1 355.193 3.162 20 30 FGEDMM COc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1O ZINC000916368534 758075240 /nfs/dbraw/zinc/07/52/40/758075240.db2.gz GTWDCISQVSFLHS-UHFFFAOYSA-N -1 1 372.475 3.456 20 30 FGEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000916593934 758104410 /nfs/dbraw/zinc/10/44/10/758104410.db2.gz UCBZREQPGSMFKY-UHFFFAOYSA-N -1 1 361.419 3.229 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000567954240 505582363 /nfs/dbraw/zinc/58/23/63/505582363.db2.gz VYZCITRPARPDIY-UHFFFAOYSA-N -1 1 374.437 3.030 20 30 FGEDMM CCCc1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n[nH]1 ZINC000568033034 505599939 /nfs/dbraw/zinc/59/99/39/505599939.db2.gz LQUXFEUUURUANE-UHFFFAOYSA-N -1 1 366.450 3.347 20 30 FGEDMM COc1cc(-c2noc(-c3ccc(C#N)cn3)n2)cc(Br)c1[O-] ZINC000568326398 505666707 /nfs/dbraw/zinc/66/67/07/505666707.db2.gz AJPBQWVLMWPOKH-UHFFFAOYSA-N -1 1 373.166 3.147 20 30 FGEDMM CC(C)n1c(=S)[n-]nc1[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000081719913 493945576 /nfs/dbraw/zinc/94/55/76/493945576.db2.gz POUIYFCXEKMROA-INIZCTEOSA-N -1 1 354.479 3.279 20 30 FGEDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2n1C ZINC000083577572 494024254 /nfs/dbraw/zinc/02/42/54/494024254.db2.gz OEQZJRYGAHZWDF-UHFFFAOYSA-N -1 1 360.826 3.208 20 30 FGEDMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1 ZINC000043997107 494333838 /nfs/dbraw/zinc/33/38/38/494333838.db2.gz UDINOKDXWASYNE-MRVPVSSYSA-N -1 1 363.340 3.059 20 30 FGEDMM N#C[C@H](C(=O)c1ccsc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362174 494691082 /nfs/dbraw/zinc/69/10/82/494691082.db2.gz NEEAGRGQIUEUGX-LLVKDONJSA-N -1 1 355.444 3.415 20 30 FGEDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[nH]n1 ZINC000126763586 494834018 /nfs/dbraw/zinc/83/40/18/494834018.db2.gz OHBCYSYKHRFACN-UHFFFAOYSA-N -1 1 352.847 3.324 20 30 FGEDMM Cc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000121958545 494898513 /nfs/dbraw/zinc/89/85/13/494898513.db2.gz OVYZCWJDHXMZLA-SNVBAGLBSA-N -1 1 358.448 3.217 20 30 FGEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccccc3C)nc(=O)c2c1C ZINC000121974078 494901807 /nfs/dbraw/zinc/90/18/07/494901807.db2.gz RHHXOVBMWMDUNF-GFCCVEGCSA-N -1 1 352.419 3.156 20 30 FGEDMM C=CC1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000111632046 495091237 /nfs/dbraw/zinc/09/12/37/495091237.db2.gz GTEWWLPWRDPLNG-UHFFFAOYSA-N -1 1 357.191 3.035 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000101850273 495102744 /nfs/dbraw/zinc/10/27/44/495102744.db2.gz GJIKHVCAYHCCMH-UHFFFAOYSA-N -1 1 365.418 3.022 20 30 FGEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1ccc(C(F)(F)F)cn1 ZINC000580503344 505772738 /nfs/dbraw/zinc/77/27/38/505772738.db2.gz DISDQOGDJXMHKO-NSHDSACASA-N -1 1 357.295 3.376 20 30 FGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccncc3)cc2F)c(=O)o1 ZINC000130616416 495420046 /nfs/dbraw/zinc/42/00/46/495420046.db2.gz ZXEAVKCTTLVOGO-VZSQWMKGSA-N -1 1 351.333 3.116 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000114850140 495435320 /nfs/dbraw/zinc/43/53/20/495435320.db2.gz MNPYZXRQZOVJRH-UHFFFAOYSA-N -1 1 352.419 3.068 20 30 FGEDMM Cc1cc(Br)c([O-])c(NC(=O)COc2ccccc2C#N)c1 ZINC000182910467 495753218 /nfs/dbraw/zinc/75/32/18/495753218.db2.gz IUZYOZYYBXBMTC-UHFFFAOYSA-N -1 1 361.195 3.352 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000174255514 495884832 /nfs/dbraw/zinc/88/48/32/495884832.db2.gz SQOLJGBBKHPVII-UHFFFAOYSA-N -1 1 372.450 3.139 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174670375 496054289 /nfs/dbraw/zinc/05/42/89/496054289.db2.gz RVGUBLMSSJXKRO-UHFFFAOYSA-N -1 1 363.414 3.242 20 30 FGEDMM Cc1c(NS(=O)(=O)c2cc(C#N)ccc2Cl)cccc1C(=O)[O-] ZINC000177990657 496278559 /nfs/dbraw/zinc/27/85/59/496278559.db2.gz BTFMYPSBFVYJPM-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1F ZINC000187072159 496279929 /nfs/dbraw/zinc/27/99/29/496279929.db2.gz UWUPPZLPRQSJIP-UHFFFAOYSA-N -1 1 354.790 3.469 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1[O-] ZINC000188077789 496675110 /nfs/dbraw/zinc/67/51/10/496675110.db2.gz QAWUMTLPTJJANC-KRWDZBQOSA-N -1 1 360.772 3.270 20 30 FGEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000277494697 496791228 /nfs/dbraw/zinc/79/12/28/496791228.db2.gz CLLHRZMRLZAXQL-UHFFFAOYSA-N -1 1 369.446 3.324 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C(=O)N(C)C(C)C ZINC000195343897 496896162 /nfs/dbraw/zinc/89/61/62/496896162.db2.gz UOQFOUFBIDHMKF-UHFFFAOYSA-N -1 1 371.462 3.148 20 30 FGEDMM Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000189823473 497257089 /nfs/dbraw/zinc/25/70/89/497257089.db2.gz JUJIZXNIGRSJAI-UHFFFAOYSA-N -1 1 355.825 3.188 20 30 FGEDMM COc1ccc(OC)c(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)c1 ZINC000190252850 497414888 /nfs/dbraw/zinc/41/48/88/497414888.db2.gz CGNFHOKETMETPV-UHFFFAOYSA-N -1 1 352.390 3.086 20 30 FGEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000190260416 497418020 /nfs/dbraw/zinc/41/80/20/497418020.db2.gz GPBMUVBRGXZAPZ-UHFFFAOYSA-N -1 1 358.419 3.153 20 30 FGEDMM N#Cc1ccc(C(=O)NCc2cccc(OCC(F)(F)F)c2)cc1[O-] ZINC000190593646 497538290 /nfs/dbraw/zinc/53/82/90/497538290.db2.gz CFMSMWPHBMUVNV-UHFFFAOYSA-N -1 1 350.296 3.135 20 30 FGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190782917 497601783 /nfs/dbraw/zinc/60/17/83/497601783.db2.gz UBLAXBNFYVWROD-UHFFFAOYSA-N -1 1 363.414 3.329 20 30 FGEDMM Cc1oc(C(=O)[N-]c2sc(C)c(C)c2C#N)cc1S(=O)(=O)N(C)C ZINC000331307557 498297397 /nfs/dbraw/zinc/29/73/97/498297397.db2.gz SERLIELNKCAGHQ-UHFFFAOYSA-N -1 1 367.452 3.025 20 30 FGEDMM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2C1 ZINC000297686600 498536670 /nfs/dbraw/zinc/53/66/70/498536670.db2.gz HABHBUDAOAFICQ-JTQLQIEISA-N -1 1 373.438 3.275 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)C[C@H](C)C[C@@H]4C)nn21 ZINC000297982573 498628504 /nfs/dbraw/zinc/62/85/04/498628504.db2.gz XGCUYVUPGDLSKF-ZJUUUORDSA-N -1 1 366.450 3.304 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)C[C@H](C)C[C@H]4C)nn21 ZINC000297982564 498628988 /nfs/dbraw/zinc/62/89/88/498628988.db2.gz XGCUYVUPGDLSKF-NXEZZACHSA-N -1 1 366.450 3.304 20 30 FGEDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000322149719 498816077 /nfs/dbraw/zinc/81/60/77/498816077.db2.gz KCWNCCSLFWSENW-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000288448862 499028634 /nfs/dbraw/zinc/02/86/34/499028634.db2.gz JCVBJGZXAMYLKN-LBPRGKRZSA-N -1 1 370.496 3.022 20 30 FGEDMM C=CCCC[C@@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000398252916 499567320 /nfs/dbraw/zinc/56/73/20/499567320.db2.gz OFVXODIRSXFIRL-SNVBAGLBSA-N -1 1 359.207 3.471 20 30 FGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@@H](C)C[C@H](C)C4)nn21 ZINC000411015457 499690315 /nfs/dbraw/zinc/69/03/15/499690315.db2.gz QMWQKYSQZCJMIR-UWVGGRQHSA-N -1 1 366.450 3.304 20 30 FGEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000416532519 500057752 /nfs/dbraw/zinc/05/77/52/500057752.db2.gz RMYYVAHURFSGHQ-UHFFFAOYSA-N -1 1 371.709 3.382 20 30 FGEDMM N#C[C@@H](C(=O)c1cncs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000429682284 500123404 /nfs/dbraw/zinc/12/34/04/500123404.db2.gz YIPCBJJFXCAEPP-VIFPVBQESA-N -1 1 356.432 3.222 20 30 FGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000431186906 500347362 /nfs/dbraw/zinc/34/73/62/500347362.db2.gz LAOODHPMODJTGW-UHFFFAOYSA-N -1 1 364.810 3.108 20 30 FGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC000431629319 500400462 /nfs/dbraw/zinc/40/04/62/500400462.db2.gz WFIBIRFIXMFINY-AWEZNQCLSA-N -1 1 356.781 3.496 20 30 FGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)ccc1Cl ZINC000438822996 500823021 /nfs/dbraw/zinc/82/30/21/500823021.db2.gz XFGGBSPWSJOSEO-UHFFFAOYSA-N -1 1 358.810 3.403 20 30 FGEDMM COc1cc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc(Br)c1[O-] ZINC000445390790 500979997 /nfs/dbraw/zinc/97/99/97/500979997.db2.gz IZYAMGRTTPZCPF-UHFFFAOYSA-N -1 1 361.155 3.080 20 30 FGEDMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c1C#N ZINC000440816846 501052602 /nfs/dbraw/zinc/05/26/02/501052602.db2.gz NOVOAMHUKYUXBC-UHFFFAOYSA-N -1 1 352.419 3.366 20 30 FGEDMM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000436516888 501145524 /nfs/dbraw/zinc/14/55/24/501145524.db2.gz XODWGBDJCZCJPJ-UHFFFAOYSA-N -1 1 357.362 3.005 20 30 FGEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4ccccc4c3[O-])C2)nc1 ZINC000436873292 501225189 /nfs/dbraw/zinc/22/51/89/501225189.db2.gz VUTNOHUVRJFUOR-MRXNPFEDSA-N -1 1 359.385 3.106 20 30 FGEDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n[nH]1 ZINC000450978188 501236672 /nfs/dbraw/zinc/23/66/72/501236672.db2.gz DDAKDKBYWFQVJE-UHFFFAOYSA-N -1 1 352.847 3.273 20 30 FGEDMM C=CCC1(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCCC1 ZINC000456377580 501512790 /nfs/dbraw/zinc/51/27/90/501512790.db2.gz GOVLGTBWGIJWPA-UHFFFAOYSA-N -1 1 366.465 3.490 20 30 FGEDMM CCOc1cc(-c2noc([C@]3(C#N)C[C@H]3C)n2)cc(Br)c1[O-] ZINC000453028848 501604521 /nfs/dbraw/zinc/60/45/21/501604521.db2.gz VAEDLLDZJYZUQA-GLEZIHRCSA-N -1 1 364.199 3.405 20 30 FGEDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1)OCO2 ZINC000479252179 502206289 /nfs/dbraw/zinc/20/62/89/502206289.db2.gz WPMSRXVMGUBWPN-UHFFFAOYSA-N -1 1 374.418 3.207 20 30 FGEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc2cc(F)ccc2s1 ZINC000592974465 506317103 /nfs/dbraw/zinc/31/71/03/506317103.db2.gz YHEZYYRSRQDRRN-GFCCVEGCSA-N -1 1 354.366 3.416 20 30 FGEDMM CCN(C[C@H](C)C#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000509931357 503013442 /nfs/dbraw/zinc/01/34/42/503013442.db2.gz TZXJKJKSODWBLL-OAHLLOKOSA-N -1 1 371.462 3.109 20 30 FGEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000514888895 503218991 /nfs/dbraw/zinc/21/89/91/503218991.db2.gz WLCVERJHFSSAMT-CYBMUJFWSA-N -1 1 363.252 3.195 20 30 FGEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000515630990 503376735 /nfs/dbraw/zinc/37/67/35/503376735.db2.gz LWBBBNPBNFKFCD-UHFFFAOYSA-N -1 1 354.391 3.026 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000499507290 503420915 /nfs/dbraw/zinc/42/09/15/503420915.db2.gz RUQACHVRYFPZEX-UHFFFAOYSA-N -1 1 374.437 3.420 20 30 FGEDMM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(C(F)(F)F)c(F)c1 ZINC000516268448 503485882 /nfs/dbraw/zinc/48/58/82/503485882.db2.gz DGCYHIBSIJLMDY-SNVBAGLBSA-N -1 1 365.270 3.464 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c(Cl)c1 ZINC000494402238 503536115 /nfs/dbraw/zinc/53/61/15/503536115.db2.gz HMZQLQYESFNTCE-UHFFFAOYSA-N -1 1 372.837 3.257 20 30 FGEDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000543729517 503869695 /nfs/dbraw/zinc/86/96/95/503869695.db2.gz QJAJFJMRKQXJMT-UHFFFAOYSA-N -1 1 364.810 3.273 20 30 FGEDMM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000547934315 504265305 /nfs/dbraw/zinc/26/53/05/504265305.db2.gz MOYGLMMEISONGN-UHFFFAOYSA-N -1 1 364.810 3.273 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](COc2ccccc2)c2ccccc2)o1 ZINC000563643231 505199800 /nfs/dbraw/zinc/19/98/00/505199800.db2.gz TZGYBFBPNICLSM-SFHVURJKSA-N -1 1 368.414 3.250 20 30 FGEDMM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC000555457011 505435633 /nfs/dbraw/zinc/43/56/33/505435633.db2.gz BYBQZYRLIIVMKT-UHFFFAOYSA-N -1 1 368.773 3.158 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c(F)c1 ZINC000558682095 505462286 /nfs/dbraw/zinc/46/22/86/505462286.db2.gz DUZQTRBPKWERSC-UHFFFAOYSA-N -1 1 360.288 3.239 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)cc2)o1 ZINC000582851249 506454483 /nfs/dbraw/zinc/45/44/83/506454483.db2.gz KLBOZRZXWYZZMV-UHFFFAOYSA-N -1 1 354.387 3.422 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1OC[C@@H]1CCCCO1 ZINC000593194088 506456107 /nfs/dbraw/zinc/45/61/07/506456107.db2.gz IQKGOFNFWXOQKP-HNNXBMFYSA-N -1 1 366.483 3.316 20 30 FGEDMM COc1ccccc1SC[C@@H](C)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589177680 506471400 /nfs/dbraw/zinc/47/14/00/506471400.db2.gz JLHMCHAUFDWSLA-ZDUSSCGKSA-N -1 1 356.447 3.431 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c1 ZINC000589175199 506471638 /nfs/dbraw/zinc/47/16/38/506471638.db2.gz GFNONCMGVYJPNJ-CVEARBPZSA-N -1 1 357.207 3.312 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)NCCOc2ccccc2C(F)(F)F)c1 ZINC000589179852 506473464 /nfs/dbraw/zinc/47/34/64/506473464.db2.gz RTNDVCDCGDJXIE-UHFFFAOYSA-N -1 1 350.296 3.091 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000589197287 506479476 /nfs/dbraw/zinc/47/94/76/506479476.db2.gz LMILEBCOYLYVIA-UHFFFAOYSA-N -1 1 354.381 3.224 20 30 FGEDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccc(F)cc2O1 ZINC000593564440 506686682 /nfs/dbraw/zinc/68/66/82/506686682.db2.gz RFWSXUNREVRWER-GFCCVEGCSA-N -1 1 366.439 3.340 20 30 FGEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1)C1CC1 ZINC000590743237 506934494 /nfs/dbraw/zinc/93/44/94/506934494.db2.gz GHPJIYDBSURSOE-UHFFFAOYSA-N -1 1 369.446 3.069 20 30 FGEDMM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000583833827 506999916 /nfs/dbraw/zinc/99/99/16/506999916.db2.gz GBIRYUHSNIPEDG-UHFFFAOYSA-N -1 1 370.474 3.200 20 30 FGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](C)CC(=O)N3C)ccc1C#N ZINC000600664588 507054151 /nfs/dbraw/zinc/05/41/51/507054151.db2.gz CMWGRKOMXYXYSL-CYBMUJFWSA-N -1 1 369.446 3.138 20 30 FGEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1cccnc1 ZINC000590996705 507071950 /nfs/dbraw/zinc/07/19/50/507071950.db2.gz NWSRCMKPKAJKHP-UHFFFAOYSA-N -1 1 352.419 3.207 20 30 FGEDMM COc1cc(-c2noc(CCCCC#N)n2)cc(Br)c1[O-] ZINC000594542685 507177825 /nfs/dbraw/zinc/17/78/25/507177825.db2.gz FRLFLXKWJRRCIR-UHFFFAOYSA-N -1 1 352.188 3.450 20 30 FGEDMM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000594668047 507227121 /nfs/dbraw/zinc/22/71/21/507227121.db2.gz PDEZUSKUNJWEMG-QGZVFWFLSA-N -1 1 373.815 3.207 20 30 FGEDMM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594759074 507270115 /nfs/dbraw/zinc/27/01/15/507270115.db2.gz SJUKETFQGFKRSR-LURJTMIESA-N -1 1 372.071 3.194 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000610511118 507271519 /nfs/dbraw/zinc/27/15/19/507271519.db2.gz CQCGINMVRKRRNQ-RYUDHWBXSA-N -1 1 364.364 3.344 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1C(F)(F)F ZINC000610583502 507305513 /nfs/dbraw/zinc/30/55/13/507305513.db2.gz QUZMJOAPYVDOLI-UHFFFAOYSA-N -1 1 360.288 3.223 20 30 FGEDMM N#CC(CCc1ccccc1)=C([O-])N=c1ccn(C2CCSCC2)[nH]1 ZINC000601719738 507440142 /nfs/dbraw/zinc/44/01/42/507440142.db2.gz RXKMTHVTLOAZFI-INIZCTEOSA-N -1 1 354.479 3.084 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000614370109 507482247 /nfs/dbraw/zinc/48/22/47/507482247.db2.gz FOMNAMQDMNRZKX-HNNXBMFYSA-N -1 1 355.825 3.316 20 30 FGEDMM N#Cc1ccc(C(=O)NC[C@@H](NCc2ccccc2)c2ccco2)cc1[O-] ZINC000586875398 507701302 /nfs/dbraw/zinc/70/13/02/507701302.db2.gz DUKLJAJVJDSLJU-GOSISDBHSA-N -1 1 361.401 3.118 20 30 FGEDMM N#Cc1ccc(OC2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c(F)c1 ZINC000588024434 507738308 /nfs/dbraw/zinc/73/83/08/507738308.db2.gz BGZXRDHYZGBFST-UHFFFAOYSA-N -1 1 358.344 3.226 20 30 FGEDMM N#Cc1ccc([C@@H](NCc2ccc(Br)cc2F)C(=O)[O-])cc1 ZINC000739106508 600598578 /nfs/dbraw/zinc/59/85/78/600598578.db2.gz NGAJRSXBUQQJCV-OAHLLOKOSA-N -1 1 363.186 3.375 20 30 FGEDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738228532 600611741 /nfs/dbraw/zinc/61/17/41/600611741.db2.gz XIOBPRBXLKPLNX-QGZVFWFLSA-N -1 1 361.357 3.240 20 30 FGEDMM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc(OC)c1OC ZINC000825706006 600745072 /nfs/dbraw/zinc/74/50/72/600745072.db2.gz XFWIKFPBHHWPSR-GOSISDBHSA-N -1 1 359.397 3.487 20 30 FGEDMM CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000828587519 600750613 /nfs/dbraw/zinc/75/06/13/600750613.db2.gz SIRPCYNKZSYYAS-LIRRHRJNSA-N -1 1 372.396 3.431 20 30 FGEDMM C=CCN1C(=O)N=NC1SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000825711269 601864715 /nfs/dbraw/zinc/86/47/15/601864715.db2.gz WWEUQQPFBPJKHQ-UHFFFAOYSA-N -1 1 374.447 3.284 20 30 FGEDMM Cc1cccc2nc([C@@H](C#N)C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])[nH]c21 ZINC000830533125 604158714 /nfs/dbraw/zinc/15/87/14/604158714.db2.gz RWPWDDGDVWSEPZ-DKUMPPAJSA-N -1 1 366.421 3.359 20 30 FGEDMM CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1ccccc1OCC(=O)[O-] ZINC000833387135 605326413 /nfs/dbraw/zinc/32/64/13/605326413.db2.gz PBUYLUVRPGWBIK-UHFFFAOYSA-N -1 1 360.320 3.141 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H](C)c2nc3ccccc3s2)o1 ZINC000819782865 606370379 /nfs/dbraw/zinc/37/03/79/606370379.db2.gz QPNWBQFIOUELKS-MRVPVSSYSA-N -1 1 368.426 3.364 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCOc3ccccc32)o1 ZINC000820108349 606461089 /nfs/dbraw/zinc/46/10/89/606461089.db2.gz ITCRLRXFKPYFIJ-LBPRGKRZSA-N -1 1 367.413 3.017 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CSCCc3ccccc32)o1 ZINC000820197775 607035810 /nfs/dbraw/zinc/03/58/10/607035810.db2.gz NNNBDZAULQPKNU-UHFFFAOYSA-N -1 1 369.454 3.084 20 30 FGEDMM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825642832 608093386 /nfs/dbraw/zinc/09/33/86/608093386.db2.gz CFTCKLCEVOABRZ-HYXAFXHYSA-N -1 1 371.378 3.131 20 30 FGEDMM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825642832 608093387 /nfs/dbraw/zinc/09/33/87/608093387.db2.gz CFTCKLCEVOABRZ-HYXAFXHYSA-N -1 1 371.378 3.131 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826387251 608426427 /nfs/dbraw/zinc/42/64/27/608426427.db2.gz MHVMTPRWWYGMCN-UHFFFAOYSA-N -1 1 374.339 3.203 20 30 FGEDMM N#Cc1ccccc1Oc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826387251 608426428 /nfs/dbraw/zinc/42/64/28/608426428.db2.gz MHVMTPRWWYGMCN-UHFFFAOYSA-N -1 1 374.339 3.203 20 30 FGEDMM CCCCCCCC[C@@H](C)CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000825271751 608568206 /nfs/dbraw/zinc/56/82/06/608568206.db2.gz NMQAQOGIWJHCJR-GFCCVEGCSA-N -1 1 358.450 3.177 20 30 FGEDMM CCC[C@H](C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)c1ccccc1 ZINC000825232708 608750663 /nfs/dbraw/zinc/75/06/63/608750663.db2.gz JVLQACGWGHUJIK-MRXNPFEDSA-N -1 1 350.426 3.063 20 30 FGEDMM N#Cc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000826385821 609453917 /nfs/dbraw/zinc/45/39/17/609453917.db2.gz CGWIFSAHGSTTJU-UHFFFAOYSA-N -1 1 362.340 3.444 20 30 FGEDMM N#Cc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000826385821 609453919 /nfs/dbraw/zinc/45/39/19/609453919.db2.gz CGWIFSAHGSTTJU-UHFFFAOYSA-N -1 1 362.340 3.444 20 30 FGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@@H](C)C#N ZINC000023416811 695662066 /nfs/dbraw/zinc/66/20/66/695662066.db2.gz HRIDCFUDGBOYLI-LBPRGKRZSA-N -1 1 362.382 3.004 20 30 FGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000029283730 695711256 /nfs/dbraw/zinc/71/12/56/695711256.db2.gz RVBPWICUBTWNJF-UHFFFAOYSA-N -1 1 367.312 3.373 20 30 FGEDMM COc1cc(Cl)c(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1Cl ZINC000125257838 700733480 /nfs/dbraw/zinc/73/34/80/700733480.db2.gz FINGVQGKMBOMKR-NHZBNJEXSA-N -1 1 355.173 3.230 20 30 FGEDMM CCCCCCCCc1nnc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)s1 ZINC000163385811 705313308 /nfs/dbraw/zinc/31/33/08/705313308.db2.gz HQJSIACMEJCXFW-UHFFFAOYSA-N -1 1 366.447 3.335 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCCC#N)c2)cc1 ZINC000180121650 705728725 /nfs/dbraw/zinc/72/87/25/705728725.db2.gz ZJSXSAJRXSFYKO-UHFFFAOYSA-N -1 1 358.419 3.256 20 30 FGEDMM C#CCN(C(=O)c1cc(I)ccc1[O-])C1CCCC1 ZINC000189267787 712790713 /nfs/dbraw/zinc/79/07/13/712790713.db2.gz JMBYVRBHHHAMQK-UHFFFAOYSA-N -1 1 369.202 3.015 20 30 FGEDMM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000524187756 714272148 /nfs/dbraw/zinc/27/21/48/714272148.db2.gz IPNLBTBIFLTPAS-UHFFFAOYSA-N -1 1 350.403 3.125 20 30 FGEDMM O=C([O-])CCOc1ccc(C=NNc2ccc(Br)cn2)cc1 ZINC000727263141 722442813 /nfs/dbraw/zinc/44/28/13/722442813.db2.gz OPUOAXIHUPRKLC-UHFFFAOYSA-N -1 1 364.199 3.144 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000746491507 722604914 /nfs/dbraw/zinc/60/49/14/722604914.db2.gz HPVMYQYAKXMUSY-UHFFFAOYSA-N -1 1 367.814 3.092 20 30 FGEDMM N#Cc1ccccc1N1CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000749531403 722731930 /nfs/dbraw/zinc/73/19/30/722731930.db2.gz UVLJTGUSXOJSQA-UHFFFAOYSA-N -1 1 355.825 3.316 20 30 FGEDMM O=[N+]([O-])c1ccc([O-])cc1CN=Nc1ncnc2sc3c(c21)CCC3 ZINC000751129778 722795711 /nfs/dbraw/zinc/79/57/11/722795711.db2.gz NVKGXEYONSQFRV-UHFFFAOYSA-N -1 1 355.379 3.240 20 30 FGEDMM [O-]c1cc(Cl)c(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1Cl ZINC000758095206 722984160 /nfs/dbraw/zinc/98/41/60/722984160.db2.gz IZPDDXYFQIKNSK-UHFFFAOYSA-N -1 1 357.144 3.480 20 30 FGEDMM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1ncnc2ccsc21 ZINC000764841628 723452263 /nfs/dbraw/zinc/45/22/63/723452263.db2.gz SGGLFQNEVXSKMF-UHFFFAOYSA-N -1 1 363.324 3.478 20 30 FGEDMM CC(=NNC(=S)NCC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000766010959 723551026 /nfs/dbraw/zinc/55/10/26/723551026.db2.gz DGFWMGCOPXKRGQ-UHFFFAOYSA-N -1 1 360.188 3.449 20 30 FGEDMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000796097371 723620847 /nfs/dbraw/zinc/62/08/47/723620847.db2.gz MHQFTIOPHXSWCO-ZDUSSCGKSA-N -1 1 353.365 3.017 20 30 FGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@@H](C)C#N)c2)c1 ZINC000770932947 723723868 /nfs/dbraw/zinc/72/38/68/723723868.db2.gz YRBRLKXUYALUBN-AWEZNQCLSA-N -1 1 358.419 3.112 20 30 FGEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000773058237 723775466 /nfs/dbraw/zinc/77/54/66/723775466.db2.gz RQYCJVMFQQEDIC-NEPJUHHUSA-N -1 1 368.669 3.106 20 30 FGEDMM CCN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000773852570 723829752 /nfs/dbraw/zinc/82/97/52/723829752.db2.gz OPVOCBZRNUREFV-LBPRGKRZSA-N -1 1 351.435 3.113 20 30 FGEDMM N#Cc1ccnc([N-]S(=O)(=O)/C=C\c2ccccc2Br)c1 ZINC000788846009 725091147 /nfs/dbraw/zinc/09/11/47/725091147.db2.gz OHTKWMHUJQZRKQ-VURMDHGXSA-N -1 1 364.224 3.128 20 30 FGEDMM COc1ccc(NC(=S)NN=Cc2cccc([O-])c2Cl)cc1OC ZINC000814736386 726996304 /nfs/dbraw/zinc/99/63/04/726996304.db2.gz PTVMYHZPXSIFBF-UHFFFAOYSA-N -1 1 365.842 3.383 20 30 FGEDMM COc1ccc(CC2N=NC(=S)N2N=Cc2cccc([O-])c2Cl)cc1 ZINC000814775530 726998733 /nfs/dbraw/zinc/99/87/33/726998733.db2.gz NMDFOEDEBLTPDM-UHFFFAOYSA-N -1 1 374.853 3.407 20 30 FGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ncc(Br)s1 ZINC000814887909 727008828 /nfs/dbraw/zinc/00/88/28/727008828.db2.gz ZTQVBYHUJLDWSS-UHFFFAOYSA-N -1 1 356.201 3.058 20 30 FGEDMM N#Cc1cc(NCc2cccc([O-])c2Cl)ccc1N1CCC(O)CC1 ZINC000815126561 727041994 /nfs/dbraw/zinc/04/19/94/727041994.db2.gz BPISPVPOYNTYMO-UHFFFAOYSA-N -1 1 357.841 3.490 20 30 FGEDMM O=c1nc(N=NC2CCC[C@@H](c3cccc(Cl)c3)C2)nc2[nH][n-]cc1-2 ZINC000841623437 730260564 /nfs/dbraw/zinc/26/05/64/730260564.db2.gz KGINRASTFQTRKY-LLVKDONJSA-N -1 1 356.817 3.211 20 30 FGEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C=C[C@@H]1CCCO1 ZINC000845845187 730902525 /nfs/dbraw/zinc/90/25/25/730902525.db2.gz WIKYXRYAALHQIG-RWCMCFKCSA-N -1 1 354.225 3.137 20 30 FGEDMM C#CCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000849377725 731254240 /nfs/dbraw/zinc/25/42/40/731254240.db2.gz HQMLSGDOYDIEIJ-UHFFFAOYSA-N -1 1 371.083 3.448 20 30 FGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nc(C2(C)CC2)ns1 ZINC000862609372 732855644 /nfs/dbraw/zinc/85/56/44/732855644.db2.gz QJUVVTWJJVZUGK-UHFFFAOYSA-N -1 1 353.407 3.406 20 30 FGEDMM Cn1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(C(C)(C)C)n1 ZINC000872003844 735572819 /nfs/dbraw/zinc/57/28/19/735572819.db2.gz YUBWSMDMIKMSPI-UHFFFAOYSA-N -1 1 352.847 3.043 20 30 FGEDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC000872007019 735573755 /nfs/dbraw/zinc/57/37/55/735573755.db2.gz GLIPGMAUNASMQH-UHFFFAOYSA-N -1 1 368.409 3.107 20 30 FGEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NN[C@@H](CO)c2ccccc2)cs1 ZINC000872370792 735621301 /nfs/dbraw/zinc/62/13/01/735621301.db2.gz FILOPJVKDXRXAX-AWEZNQCLSA-N -1 1 362.455 3.147 20 30 FGEDMM N#C[C@]1(C(=O)NCc2cccc(Br)c2[O-])CC2CCC1CC2 ZINC000907758353 744235106 /nfs/dbraw/zinc/23/51/06/744235106.db2.gz PQRHRQWUPLJSMF-FWXSHLFISA-N -1 1 363.255 3.491 20 30 FGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000076936266 493991350 /nfs/dbraw/zinc/99/13/50/493991350.db2.gz WTQUVUQKVOSFHO-UHFFFAOYSA-N -1 1 355.419 3.350 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C[C@H](C)C#N)c2)cc1 ZINC000053077668 494090788 /nfs/dbraw/zinc/09/07/88/494090788.db2.gz NAVLLAQTURQRCD-OAHLLOKOSA-N -1 1 371.462 3.028 20 30 FGEDMM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041553540 494167709 /nfs/dbraw/zinc/16/77/09/494167709.db2.gz RLDIECLVMQSKLB-HWRSSNJWSA-N -1 1 366.364 3.469 20 30 FGEDMM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1ccc(C(F)(F)F)cn1 ZINC000077865346 494194243 /nfs/dbraw/zinc/19/42/43/494194243.db2.gz SFNWLRRAEKWYGB-LBPRGKRZSA-N -1 1 357.295 3.171 20 30 FGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000078239626 494260542 /nfs/dbraw/zinc/26/05/42/494260542.db2.gz MEDPKWHDZSSKDI-UHFFFAOYSA-N -1 1 360.435 3.035 20 30 FGEDMM COc1ccc(COCCCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000089689437 494344238 /nfs/dbraw/zinc/34/42/38/494344238.db2.gz DUKWKAOSVWFGQM-UHFFFAOYSA-N -1 1 358.320 3.417 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000078967778 494384619 /nfs/dbraw/zinc/38/46/19/494384619.db2.gz IMVIHLZTJPDAKO-UHFFFAOYSA-N -1 1 358.463 3.328 20 30 FGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000055664051 494384980 /nfs/dbraw/zinc/38/49/80/494384980.db2.gz FFYQCZNTOWCCKZ-UHFFFAOYSA-N -1 1 374.462 3.029 20 30 FGEDMM CCCOc1c(C=CC(=O)c2c([O-])cc(C)oc2=O)cccc1OCC ZINC000111690977 495095898 /nfs/dbraw/zinc/09/58/98/495095898.db2.gz FHRSASUEDFXZFR-BBVFFXRHSA-N -1 1 358.390 3.102 20 30 FGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000134068568 495100750 /nfs/dbraw/zinc/10/07/50/495100750.db2.gz UDGKWPSKNOPJLW-OALUTQOASA-N -1 1 372.446 3.041 20 30 FGEDMM C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000571570362 505762915 /nfs/dbraw/zinc/76/29/15/505762915.db2.gz CHFBYSOXAOLCQE-CYBMUJFWSA-N -1 1 355.825 3.268 20 30 FGEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)on1 ZINC000114499272 495386359 /nfs/dbraw/zinc/38/63/59/495386359.db2.gz UZDYETASQMAIEV-UHFFFAOYSA-N -1 1 373.356 3.167 20 30 FGEDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000131009019 495478784 /nfs/dbraw/zinc/47/87/84/495478784.db2.gz JVSFYWADNVJXQY-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM CCC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)c1nn[n-]n1 ZINC000176792289 495785897 /nfs/dbraw/zinc/78/58/97/495785897.db2.gz BIUZLQHCESTOJL-QGZVFWFLSA-N -1 1 362.393 3.135 20 30 FGEDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1[N+](=O)[O-] ZINC000155911059 496104685 /nfs/dbraw/zinc/10/46/85/496104685.db2.gz SPMLXBOJBCHNTJ-UHFFFAOYSA-N -1 1 369.761 3.368 20 30 FGEDMM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000161295970 496146010 /nfs/dbraw/zinc/14/60/10/496146010.db2.gz BMHVXTQLMMVNNO-UHFFFAOYSA-N -1 1 358.463 3.410 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1Cl ZINC000156145260 496169430 /nfs/dbraw/zinc/16/94/30/496169430.db2.gz REGLPYHKFILPJV-JTQLQIEISA-N -1 1 365.798 3.159 20 30 FGEDMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000172123544 496174968 /nfs/dbraw/zinc/17/49/68/496174968.db2.gz ZJIBKBYDIFAXRA-UHFFFAOYSA-N -1 1 371.462 3.150 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000172123654 496176144 /nfs/dbraw/zinc/17/61/44/496176144.db2.gz NRYWRYDQCRIEDN-UHFFFAOYSA-N -1 1 364.430 3.433 20 30 FGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCCC2 ZINC000571871651 505833640 /nfs/dbraw/zinc/83/36/40/505833640.db2.gz VYSJBDJLQMNLFP-UHFFFAOYSA-N -1 1 354.431 3.463 20 30 FGEDMM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1nc2ccccc2n1C(F)F ZINC000187483504 496460671 /nfs/dbraw/zinc/46/06/71/496460671.db2.gz UDGRBSQRHROPAK-LBPRGKRZSA-N -1 1 368.343 3.487 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1OC(C)C ZINC000184973801 496607006 /nfs/dbraw/zinc/60/70/06/496607006.db2.gz HTSUFSJIYWLTJS-UHFFFAOYSA-N -1 1 360.435 3.463 20 30 FGEDMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc2F)c1 ZINC000179024765 496648567 /nfs/dbraw/zinc/64/85/67/496648567.db2.gz WJDQSRMZWOHPLY-UHFFFAOYSA-N -1 1 370.409 3.301 20 30 FGEDMM Cc1cc(C[C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)n(-c2ccccc2)n1 ZINC000188955399 496959328 /nfs/dbraw/zinc/95/93/28/496959328.db2.gz NQCGPPMZLANHIV-AWEZNQCLSA-N -1 1 360.417 3.119 20 30 FGEDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000569292482 505898052 /nfs/dbraw/zinc/89/80/52/505898052.db2.gz PEAVMPBRSVVFOQ-QMMMGPOBSA-N -1 1 350.350 3.111 20 30 FGEDMM Cc1c([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cnn1-c1ccc(F)cc1 ZINC000190314368 497433711 /nfs/dbraw/zinc/43/37/11/497433711.db2.gz FAZGOHPNWJOCHQ-LBPRGKRZSA-N -1 1 364.380 3.388 20 30 FGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000194626241 497722902 /nfs/dbraw/zinc/72/29/02/497722902.db2.gz FQICJWHEXWYTFB-UHFFFAOYSA-N -1 1 374.462 3.144 20 30 FGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)CC#N)c2)c1 ZINC000194742526 497756184 /nfs/dbraw/zinc/75/61/84/497756184.db2.gz VCYGDUAOEPSFMG-OAHLLOKOSA-N -1 1 371.462 3.136 20 30 FGEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(F)c(Br)c(F)c1 ZINC000581194818 505930888 /nfs/dbraw/zinc/93/08/88/505930888.db2.gz HWTUVVLOHMQLQP-UHFFFAOYSA-N -1 1 367.215 3.409 20 30 FGEDMM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1c(F)ccc([O-])c1F ZINC000330897836 498214645 /nfs/dbraw/zinc/21/46/45/498214645.db2.gz UNLWPWWDASEYPD-CLAHSXSESA-N -1 1 353.287 3.459 20 30 FGEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2[C@@H](C)C1 ZINC000297871299 498594165 /nfs/dbraw/zinc/59/41/65/498594165.db2.gz OZSWXRURGONDQS-BDAKNGLRSA-N -1 1 359.411 3.200 20 30 FGEDMM CCOc1cc(-c2noc(CCCC#N)n2)cc(Br)c1[O-] ZINC000290947706 498732559 /nfs/dbraw/zinc/73/25/59/498732559.db2.gz LPDDRDUXDXJEGP-UHFFFAOYSA-N -1 1 352.188 3.450 20 30 FGEDMM N#Cc1ccccc1C=CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000366321563 498873050 /nfs/dbraw/zinc/87/30/50/498873050.db2.gz HRQBRTATAVHWSK-JXMROGBWSA-N -1 1 360.413 3.399 20 30 FGEDMM CCCCCCCC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000369338162 499392640 /nfs/dbraw/zinc/39/26/40/499392640.db2.gz GQRWSHJTYRSVSE-UHFFFAOYSA-N -1 1 350.463 3.048 20 30 FGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000416938898 500162185 /nfs/dbraw/zinc/16/21/85/500162185.db2.gz LYJWHRVPWQFLES-LJQANCHMSA-N -1 1 369.446 3.376 20 30 FGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc(OC)c1C ZINC000431163273 500343651 /nfs/dbraw/zinc/34/36/51/500343651.db2.gz XCCQOIZMTDDLGU-UHFFFAOYSA-N -1 1 366.826 3.338 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1F ZINC000427109645 500354837 /nfs/dbraw/zinc/35/48/37/500354837.db2.gz ICSLJVSNNRKMBB-UHFFFAOYSA-N -1 1 370.365 3.080 20 30 FGEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(SC)cc1 ZINC000442971711 500656646 /nfs/dbraw/zinc/65/66/46/500656646.db2.gz YDYKSOCMUXEXTP-INIZCTEOSA-N -1 1 370.430 3.020 20 30 FGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(-c2ccncc2)cs1 ZINC000442981338 500658578 /nfs/dbraw/zinc/65/85/78/500658578.db2.gz JFLDMMYLYPYIDR-LLVKDONJSA-N -1 1 350.403 3.273 20 30 FGEDMM Cc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000443054055 500669505 /nfs/dbraw/zinc/66/95/05/500669505.db2.gz STKUXJOWPQLTMN-SFHVURJKSA-N -1 1 366.417 3.060 20 30 FGEDMM COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443402322 500719302 /nfs/dbraw/zinc/71/93/02/500719302.db2.gz XSBSPSFRXPBTII-UHFFFAOYSA-N -1 1 356.325 3.386 20 30 FGEDMM C=CCOCCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445396796 500980473 /nfs/dbraw/zinc/98/04/73/500980473.db2.gz YYRILROSEOTEKA-UHFFFAOYSA-N -1 1 369.215 3.349 20 30 FGEDMM Cc1ccc(NC(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000435485443 500984385 /nfs/dbraw/zinc/98/43/85/500984385.db2.gz ABNFNHXUMGMGOE-UHFFFAOYSA-N -1 1 372.450 3.069 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1OC(C)C ZINC000435728285 501018778 /nfs/dbraw/zinc/01/87/78/501018778.db2.gz KDOBUQCCTQLSOY-UHFFFAOYSA-N -1 1 360.435 3.463 20 30 FGEDMM N#C[C@]1(NC(=O)c2cc(Br)ccc2[O-])CCc2ccccc2C1 ZINC000436878955 501226025 /nfs/dbraw/zinc/22/60/25/501226025.db2.gz LHJQHGQIDDUVLQ-SFHVURJKSA-N -1 1 371.234 3.336 20 30 FGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(Cl)c1 ZINC000493108958 503406766 /nfs/dbraw/zinc/40/67/66/503406766.db2.gz XXLIDYDAKWHQTD-UHFFFAOYSA-N -1 1 370.821 3.469 20 30 FGEDMM N#C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000536725670 503697520 /nfs/dbraw/zinc/69/75/20/503697520.db2.gz NZZRMBJQMWFINP-ZDUSSCGKSA-N -1 1 354.259 3.425 20 30 FGEDMM N#CC(=C([O-])c1ccccc1C(=O)c1ccc(F)c(F)c1)c1ccncn1 ZINC000544815141 504267485 /nfs/dbraw/zinc/26/74/85/504267485.db2.gz ZGRZPOABZBJPMF-HNNXBMFYSA-N -1 1 363.323 3.476 20 30 FGEDMM Cc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000539616428 504629232 /nfs/dbraw/zinc/62/92/32/504629232.db2.gz JVMMNGZCPPEPBU-ZDUSSCGKSA-N -1 1 374.441 3.366 20 30 FGEDMM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)cc1C ZINC000565580824 504928267 /nfs/dbraw/zinc/92/82/67/504928267.db2.gz CYXVIJWWWUKKBT-UHFFFAOYSA-N -1 1 360.435 3.001 20 30 FGEDMM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1nc(-c2ccncc2)cs1 ZINC000560218526 505021214 /nfs/dbraw/zinc/02/12/14/505021214.db2.gz VHBJYMTVXOCMHO-OAHLLOKOSA-N -1 1 372.413 3.480 20 30 FGEDMM Cc1n[n-]c(=NCc2cccc(OCc3cccc(C#N)c3)c2)n1C1CC1 ZINC000551450299 505228688 /nfs/dbraw/zinc/22/86/88/505228688.db2.gz AXPLCHVKKNEJLH-UHFFFAOYSA-N -1 1 359.433 3.406 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000566706267 505249551 /nfs/dbraw/zinc/24/95/51/505249551.db2.gz AJCPYIGRAFFPDF-LBPRGKRZSA-N -1 1 374.409 3.319 20 30 FGEDMM COC(=O)c1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)c1C#N ZINC000554944382 505305915 /nfs/dbraw/zinc/30/59/15/505305915.db2.gz OTJSJCQHBIPDSE-UHFFFAOYSA-N -1 1 351.334 3.070 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000561563314 505378839 /nfs/dbraw/zinc/37/88/39/505378839.db2.gz CQCGINMVRKRRNQ-VXGBXAGGSA-N -1 1 364.364 3.344 20 30 FGEDMM CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589170282 506469761 /nfs/dbraw/zinc/46/97/61/506469761.db2.gz MZPVLBZCFQQMEY-UHFFFAOYSA-N -1 1 360.417 3.359 20 30 FGEDMM CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccn1 ZINC000589181135 506473481 /nfs/dbraw/zinc/47/34/81/506473481.db2.gz WNXDRNIDRLCVPH-CQSZACIVSA-N -1 1 353.422 3.402 20 30 FGEDMM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000603376086 506498247 /nfs/dbraw/zinc/49/82/47/506498247.db2.gz JJTVBPPPSADMIT-UHFFFAOYSA-N -1 1 353.831 3.110 20 30 FGEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1OC ZINC000600665146 507053811 /nfs/dbraw/zinc/05/38/11/507053811.db2.gz NHMSGKAEQKTIAS-UHFFFAOYSA-N -1 1 360.435 3.465 20 30 FGEDMM CCOC(=O)[C@@H]1CCCN(c2ccc(-c3ccc([O-])c(C#N)c3)cn2)C1 ZINC000600780117 507117792 /nfs/dbraw/zinc/11/77/92/507117792.db2.gz MIYKHVMQYASWMI-MRXNPFEDSA-N -1 1 351.406 3.105 20 30 FGEDMM COC[C@H](C)N(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000600794255 507125360 /nfs/dbraw/zinc/12/53/60/507125360.db2.gz VKCHRUUJINYDMS-XOBRGWDASA-N -1 1 350.418 3.428 20 30 FGEDMM CC1CCN(Cc2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)CC1 ZINC000614294025 507444028 /nfs/dbraw/zinc/44/40/28/507444028.db2.gz KXOTXPTXKCROAW-UHFFFAOYSA-N -1 1 356.451 3.205 20 30 FGEDMM COc1nc2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2s1 ZINC000585732986 507608859 /nfs/dbraw/zinc/60/88/59/507608859.db2.gz HTKNSZMADFGBNT-UHFFFAOYSA-N -1 1 359.432 3.172 20 30 FGEDMM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3nnn(C(C)(C)C)n3)sc2C1 ZINC000598844463 507634505 /nfs/dbraw/zinc/63/45/05/507634505.db2.gz GQOOOZYLUSEAIA-NSHDSACASA-N -1 1 372.498 3.374 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1 ZINC000587988155 507724809 /nfs/dbraw/zinc/72/48/09/507724809.db2.gz LDQAHNQXQGSLCL-INIZCTEOSA-N -1 1 365.216 3.424 20 30 FGEDMM C=CC[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735409023 598889753 /nfs/dbraw/zinc/88/97/53/598889753.db2.gz ARDMCFSDPJAWSN-LBPRGKRZSA-N -1 1 368.466 3.359 20 30 FGEDMM C=CC[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735409021 598889824 /nfs/dbraw/zinc/88/98/24/598889824.db2.gz ARDMCFSDPJAWSN-GFCCVEGCSA-N -1 1 368.466 3.359 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cccc(Cl)c2Cl)o1 ZINC000735450867 599191655 /nfs/dbraw/zinc/19/16/55/599191655.db2.gz HHBAVZIOCOXPRE-UHFFFAOYSA-N -1 1 352.185 3.306 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3ccccc32)o1 ZINC000735850753 598641394 /nfs/dbraw/zinc/64/13/94/598641394.db2.gz GWBDSSQYCPYQOH-UHFFFAOYSA-N -1 1 367.413 3.042 20 30 FGEDMM N#CC(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2n1C(F)F ZINC000833063640 601237057 /nfs/dbraw/zinc/23/70/57/601237057.db2.gz KOPYBHOBXFCHCI-QJPTWQEYSA-N -1 1 361.348 3.499 20 30 FGEDMM CN(C[C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1)C(=O)[O-] ZINC000739637737 602991328 /nfs/dbraw/zinc/99/13/28/602991328.db2.gz QZBSDWJLQCSWOO-CYBMUJFWSA-N -1 1 351.834 3.064 20 30 FGEDMM CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000827355498 604241999 /nfs/dbraw/zinc/24/19/99/604241999.db2.gz IKEZGFBNCKPNQX-LLVKDONJSA-N -1 1 373.390 3.208 20 30 FGEDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000825264021 604249781 /nfs/dbraw/zinc/24/97/81/604249781.db2.gz ILOHTCCIEAIUEY-DGCLKSJQSA-N -1 1 353.369 3.028 20 30 FGEDMM C#CCN1CCC[C@@H]1COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833364361 604611919 /nfs/dbraw/zinc/61/19/19/604611919.db2.gz KPPWUYZLNSKALG-CQSZACIVSA-N -1 1 370.327 3.050 20 30 FGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCOc3ccccc32)o1 ZINC000819966175 606461080 /nfs/dbraw/zinc/46/10/80/606461080.db2.gz YEYHJGAKPOGSNT-NSHDSACASA-N -1 1 367.413 3.116 20 30 FGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccc(Cl)s2)o1 ZINC000820254681 606988883 /nfs/dbraw/zinc/98/88/83/606988883.db2.gz UTQBCNQXDDECCK-UHFFFAOYSA-N -1 1 351.823 3.299 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(F)c3cccnc23)o1 ZINC000820202010 607035880 /nfs/dbraw/zinc/03/58/80/607035880.db2.gz DNOSFZBBUIDQJB-UHFFFAOYSA-N -1 1 366.360 3.111 20 30 FGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)cc3cccnc32)o1 ZINC000820198233 607148104 /nfs/dbraw/zinc/14/81/04/607148104.db2.gz TUGKRVZSWPISCA-UHFFFAOYSA-N -1 1 366.360 3.111 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(-c2ccccc2)n1 ZINC000826359393 608213895 /nfs/dbraw/zinc/21/38/95/608213895.db2.gz FQXOSTMBAGAHDU-FPLPWBNLSA-N -1 1 362.418 3.225 20 30 FGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2ccccc2)n1 ZINC000826359393 608213897 /nfs/dbraw/zinc/21/38/97/608213897.db2.gz FQXOSTMBAGAHDU-FPLPWBNLSA-N -1 1 362.418 3.225 20 30 FGEDMM O=C1Nc2ccc(Br)cc2C1=N[N-]c1nncc2ccccc21 ZINC000006287526 695556008 /nfs/dbraw/zinc/55/60/08/695556008.db2.gz MTPMBAOOAPZDQA-UHFFFAOYSA-N -1 1 368.194 3.161 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H](C)C#N)c2)cc1 ZINC000023416592 695661666 /nfs/dbraw/zinc/66/16/66/695661666.db2.gz TWBMBCGLHMXDAF-CQSZACIVSA-N -1 1 358.419 3.173 20 30 FGEDMM Cc1occc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362199 695857595 /nfs/dbraw/zinc/85/75/95/695857595.db2.gz MDPYRABBAHZUED-LBPRGKRZSA-N -1 1 353.403 3.255 20 30 FGEDMM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cccc2cn[nH]c21 ZINC000048408136 695876813 /nfs/dbraw/zinc/87/68/13/695876813.db2.gz FKUKXCUHUFDPNF-UHFFFAOYSA-N -1 1 351.387 3.410 20 30 FGEDMM C=C(C)CS(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1 ZINC000621305750 714980146 /nfs/dbraw/zinc/98/01/46/714980146.db2.gz HTTUJGZCJZTOHM-UHFFFAOYSA-N -1 1 354.216 3.036 20 30 FGEDMM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000643778404 718052783 /nfs/dbraw/zinc/05/27/83/718052783.db2.gz NKALQKRPDBEZGX-SNVBAGLBSA-N -1 1 362.233 3.349 20 30 FGEDMM N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360550 722467780 /nfs/dbraw/zinc/46/77/80/722467780.db2.gz KMLSTXRNDSVZRV-UHFFFAOYSA-N -1 1 371.201 3.428 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000730996088 722472521 /nfs/dbraw/zinc/47/25/21/722472521.db2.gz MHHDIFHMTBCLTJ-UHFFFAOYSA-N -1 1 356.378 3.187 20 30 FGEDMM Cc1ccc([C@@H]2CCCC2=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000741847636 722549585 /nfs/dbraw/zinc/54/95/85/722549585.db2.gz OHNZCRBMYAUYED-HNNXBMFYSA-N -1 1 353.447 3.357 20 30 FGEDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000743343947 722565957 /nfs/dbraw/zinc/56/59/57/722565957.db2.gz LBLYDISBEMCYGX-JTQLQIEISA-N -1 1 365.798 3.159 20 30 FGEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000746492843 722604934 /nfs/dbraw/zinc/60/49/34/722604934.db2.gz YBIVGHSCALOEIQ-UHFFFAOYSA-N -1 1 373.843 3.153 20 30 FGEDMM CSc1ccc2c(c1)CCCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000748132942 722676543 /nfs/dbraw/zinc/67/65/43/722676543.db2.gz HXKWNZZLIAMMGZ-UHFFFAOYSA-N -1 1 371.487 3.188 20 30 FGEDMM C[C@@H](C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000749165442 722718496 /nfs/dbraw/zinc/71/84/96/722718496.db2.gz XFVAKJWRXCNAQM-CQSZACIVSA-N -1 1 361.423 3.128 20 30 FGEDMM [O-]c1ccc(Cl)c(F)c1C=NN1C(=S)N=NC1[C@@H]1CCCCO1 ZINC000790168444 723111090 /nfs/dbraw/zinc/11/10/90/723111090.db2.gz VWUUDEQKNMMNGN-NSHDSACASA-N -1 1 356.810 3.189 20 30 FGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000790339547 723128593 /nfs/dbraw/zinc/12/85/93/723128593.db2.gz MQXDAVGDMXEWRN-UHFFFAOYSA-N -1 1 371.336 3.240 20 30 FGEDMM O=C1c2cnn(-c3ncccn3)c2CC/C1=C\c1ccc([O-])c(Cl)c1 ZINC000792905050 723380271 /nfs/dbraw/zinc/38/02/71/723380271.db2.gz JATYMRIUEXYAQV-XYOKQWHBSA-N -1 1 352.781 3.234 20 30 FGEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H]1CCCSC1 ZINC000794889276 723550584 /nfs/dbraw/zinc/55/05/84/723550584.db2.gz XVDGKFKRVGLUFZ-NSHDSACASA-N -1 1 366.468 3.000 20 30 FGEDMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000796097339 723620853 /nfs/dbraw/zinc/62/08/53/723620853.db2.gz LLIXINJMPJYYIB-CQSZACIVSA-N -1 1 351.830 3.392 20 30 FGEDMM C#C[C@@H](CC)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000768062686 723645260 /nfs/dbraw/zinc/64/52/60/723645260.db2.gz NBLTXAWWKNLLPX-INIZCTEOSA-N -1 1 361.394 3.195 20 30 FGEDMM N#C[C@@H](C(=O)CCC(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000796627792 723647368 /nfs/dbraw/zinc/64/73/68/723647368.db2.gz DTURYPWQCKYLID-VIFPVBQESA-N -1 1 351.378 3.497 20 30 FGEDMM C#Cc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)nc1 ZINC000771232785 723730826 /nfs/dbraw/zinc/73/08/26/723730826.db2.gz ZUJCURHFTDSYBJ-UHFFFAOYSA-N -1 1 372.178 3.257 20 30 FGEDMM C=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000805122219 725051134 /nfs/dbraw/zinc/05/11/34/725051134.db2.gz PRJBFGHMOPUMKW-UHFFFAOYSA-N -1 1 352.799 3.240 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000808066576 725181807 /nfs/dbraw/zinc/18/18/07/725181807.db2.gz RXLPJXQMLLTHQN-UHFFFAOYSA-N -1 1 366.613 3.417 20 30 FGEDMM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2cccc([O-])c2Cl)C1=O ZINC000814776313 726998772 /nfs/dbraw/zinc/99/87/72/726998772.db2.gz RPQWPZZMYLJKHO-GOSISDBHSA-N -1 1 357.797 3.237 20 30 FGEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000814865667 727007027 /nfs/dbraw/zinc/00/70/27/727007027.db2.gz VVDFXDBJWNFNRC-UHFFFAOYSA-N -1 1 359.407 3.175 20 30 FGEDMM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823963252 729314283 /nfs/dbraw/zinc/31/42/83/729314283.db2.gz ZLVWMVOVWLYQFK-UHFFFAOYSA-N -1 1 359.362 3.240 20 30 FGEDMM CCCc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000857206652 732112061 /nfs/dbraw/zinc/11/20/61/732112061.db2.gz AYDIHYHFLCBIPD-UHFFFAOYSA-N -1 1 367.452 3.062 20 30 FGEDMM Cc1sc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)nc1C(=O)[O-] ZINC000900075072 743059536 /nfs/dbraw/zinc/05/95/36/743059536.db2.gz JNDMYVZRGONITM-GFCCVEGCSA-N -1 1 358.467 3.350 20 30 FGEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1nnn(C)c1C(F)(F)F ZINC000903220425 743824442 /nfs/dbraw/zinc/82/44/42/743824442.db2.gz MDFMACKUGMITEJ-VIFPVBQESA-N -1 1 369.372 3.338 20 30 FGEDMM COc1ccccc1C1N=NC(=S)N1N=Cc1ccc([O-])c(Cl)c1 ZINC000921255049 758676316 /nfs/dbraw/zinc/67/63/16/758676316.db2.gz ITDSRHMOYOZIOA-UHFFFAOYSA-N -1 1 360.826 3.484 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000579694525 505603271 /nfs/dbraw/zinc/60/32/71/505603271.db2.gz GEVBOAVFOYZUII-YPMHNXCESA-N -1 1 356.325 3.004 20 30 FGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)cc1 ZINC000080938202 493794978 /nfs/dbraw/zinc/79/49/78/493794978.db2.gz AXCAFNKWQNAUCC-UHFFFAOYSA-N -1 1 359.451 3.357 20 30 FGEDMM O=C(C#Cc1ccccc1)N1CCC[C@@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000081719930 493945524 /nfs/dbraw/zinc/94/55/24/493945524.db2.gz GTSIJJRAAFJFGS-OAHLLOKOSA-N -1 1 352.463 3.033 20 30 FGEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000077704533 494149338 /nfs/dbraw/zinc/14/93/38/494149338.db2.gz HSFOJGMEMRPCSB-UHFFFAOYSA-N -1 1 363.826 3.279 20 30 FGEDMM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2NC1=O ZINC000041497819 494165151 /nfs/dbraw/zinc/16/51/51/494165151.db2.gz FSROKNZTWJLRNY-CMPLNLGQSA-N -1 1 362.414 3.486 20 30 FGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000568511551 505712850 /nfs/dbraw/zinc/71/28/50/505712850.db2.gz OWOYZBAFJPMMHN-IUODEOHRSA-N -1 1 354.497 3.248 20 30 FGEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055549429 494358626 /nfs/dbraw/zinc/35/86/26/494358626.db2.gz MIZRZEJTUMPDEL-UHFFFAOYSA-N -1 1 364.810 3.189 20 30 FGEDMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000079700562 494511157 /nfs/dbraw/zinc/51/11/57/494511157.db2.gz UFJFVCCMLGHHDK-UHFFFAOYSA-N -1 1 353.304 3.003 20 30 FGEDMM N#C[C@H](C(=O)c1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707079 494554745 /nfs/dbraw/zinc/55/47/45/494554745.db2.gz BHGFNQMXVOTMDC-SNVBAGLBSA-N -1 1 355.444 3.415 20 30 FGEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000121973040 494901829 /nfs/dbraw/zinc/90/18/29/494901829.db2.gz GSFNVPIIXWVAEW-AWEZNQCLSA-N -1 1 366.446 3.464 20 30 FGEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094107619 494951283 /nfs/dbraw/zinc/95/12/83/494951283.db2.gz GJAANVASENBLPH-NSHDSACASA-N -1 1 373.359 3.297 20 30 FGEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094107620 494951360 /nfs/dbraw/zinc/95/13/60/494951360.db2.gz GJAANVASENBLPH-LLVKDONJSA-N -1 1 373.359 3.297 20 30 FGEDMM CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000127516909 494955545 /nfs/dbraw/zinc/95/55/45/494955545.db2.gz IJIZBRGUTUIQLF-IBGZPJMESA-N -1 1 371.462 3.218 20 30 FGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1[N+](=O)[O-] ZINC000135616203 495318490 /nfs/dbraw/zinc/31/84/90/495318490.db2.gz ROVMBZHAQZRNCL-UHFFFAOYSA-N -1 1 351.771 3.229 20 30 FGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)C2CC2)c1 ZINC000114673379 495407152 /nfs/dbraw/zinc/40/71/52/495407152.db2.gz QUCNIRSBASKKQK-UHFFFAOYSA-N -1 1 355.419 3.016 20 30 FGEDMM N#CCCN(Cc1ccccn1)C(=O)c1cc(Br)ccc1[O-] ZINC000136924018 495409954 /nfs/dbraw/zinc/40/99/54/495409954.db2.gz SDESNUBNXKQFIM-UHFFFAOYSA-N -1 1 360.211 3.106 20 30 FGEDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000176672577 495742489 /nfs/dbraw/zinc/74/24/89/495742489.db2.gz LUPYSLDBJWVMMR-UHFFFAOYSA-N -1 1 351.225 3.430 20 30 FGEDMM C=CCc1cccc(C(C)C)c1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000188071860 496670960 /nfs/dbraw/zinc/67/09/60/496670960.db2.gz KBTZTQAYJYXKPO-UHFFFAOYSA-N -1 1 362.451 3.292 20 30 FGEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)cc2Cl)c(=O)[n-]1 ZINC000269198376 496891389 /nfs/dbraw/zinc/89/13/89/496891389.db2.gz LLSBPZNCDJTHOM-UHFFFAOYSA-N -1 1 362.842 3.309 20 30 FGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1 ZINC000231657507 497109191 /nfs/dbraw/zinc/10/91/91/497109191.db2.gz OOJCVDTVAYJYFL-UHFFFAOYSA-N -1 1 369.215 3.455 20 30 FGEDMM CN1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249116220 497169834 /nfs/dbraw/zinc/16/98/34/497169834.db2.gz SGMIRLVGGNNINQ-FUHWJXTLSA-N -1 1 373.815 3.232 20 30 FGEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nnc2n1CCCCC2 ZINC000193261033 497335452 /nfs/dbraw/zinc/33/54/52/497335452.db2.gz ARUINGLZIGHNJF-AWEZNQCLSA-N -1 1 364.384 3.024 20 30 FGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1OC(C)C ZINC000279834300 497557725 /nfs/dbraw/zinc/55/77/25/497557725.db2.gz CGZLVAYCBQNEQR-UHFFFAOYSA-N -1 1 360.435 3.349 20 30 FGEDMM COc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc(Cl)c1[O-] ZINC000331264323 498287468 /nfs/dbraw/zinc/28/74/68/498287468.db2.gz GEVMMOLUDICWRD-CMPLNLGQSA-N -1 1 354.834 3.006 20 30 FGEDMM C#CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000287496001 498777645 /nfs/dbraw/zinc/77/76/45/498777645.db2.gz UJGWHLHNIKPOMH-MRXNPFEDSA-N -1 1 351.450 3.153 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1 ZINC000321869356 498815713 /nfs/dbraw/zinc/81/57/13/498815713.db2.gz ODCFAKPHEHNBLM-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)o1 ZINC000367776736 499232767 /nfs/dbraw/zinc/23/27/67/499232767.db2.gz OMAWYTOPPTVHBY-KRWDZBQOSA-N -1 1 373.821 3.268 20 30 FGEDMM C=CCc1cc(CNCc2ccc(C(=O)[O-])c(CC)n2)cc(OC)c1O ZINC000426650165 500300849 /nfs/dbraw/zinc/30/08/49/500300849.db2.gz AAARLQAGISNCJJ-UHFFFAOYSA-N -1 1 356.422 3.075 20 30 FGEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427121806 500356025 /nfs/dbraw/zinc/35/60/25/500356025.db2.gz LUNFSXJABCMWMK-UHFFFAOYSA-N -1 1 361.398 3.237 20 30 FGEDMM N#Cc1cnc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c(Cl)c1 ZINC000428011537 500458075 /nfs/dbraw/zinc/45/80/75/500458075.db2.gz APXKZOLMGDDJDK-UHFFFAOYSA-N -1 1 373.800 3.440 20 30 FGEDMM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000432409646 500512361 /nfs/dbraw/zinc/51/23/61/500512361.db2.gz HSISEDZTHCLIHN-UHFFFAOYSA-N -1 1 351.313 3.471 20 30 FGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(OC)c2C)c1 ZINC000447275203 500583924 /nfs/dbraw/zinc/58/39/24/500583924.db2.gz SOFBXYVKWGXAIP-UHFFFAOYSA-N -1 1 374.462 3.029 20 30 FGEDMM C=C(C)[C@H](CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)OCC ZINC000450700748 501188876 /nfs/dbraw/zinc/18/88/76/501188876.db2.gz UCVOJNVRLCTIPZ-ZDUSSCGKSA-N -1 1 350.806 3.141 20 30 FGEDMM C=C(C)[C@H](CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)OCC ZINC000450700748 501188879 /nfs/dbraw/zinc/18/88/79/501188879.db2.gz UCVOJNVRLCTIPZ-ZDUSSCGKSA-N -1 1 350.806 3.141 20 30 FGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1[O-] ZINC000452839241 501571535 /nfs/dbraw/zinc/57/15/35/501571535.db2.gz GBVYIMJZLHECJK-INIZCTEOSA-N -1 1 351.362 3.192 20 30 FGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(-c2cccc(C#N)c2)n1 ZINC000467187564 501730599 /nfs/dbraw/zinc/73/05/99/501730599.db2.gz RBVWJNFRJGYFOO-MRXNPFEDSA-N -1 1 366.384 3.121 20 30 FGEDMM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1C ZINC000467196764 501735097 /nfs/dbraw/zinc/73/50/97/501735097.db2.gz QTLHLHVDRCQQOT-HNNXBMFYSA-N -1 1 361.405 3.086 20 30 FGEDMM CN(Cc1ccc(F)cc1Br)C(=O)c1ccc(C#N)c([O-])c1 ZINC000482796493 502182920 /nfs/dbraw/zinc/18/29/20/502182920.db2.gz NRKSGKFPGDXXFT-UHFFFAOYSA-N -1 1 363.186 3.438 20 30 FGEDMM C=C[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000465105040 502192783 /nfs/dbraw/zinc/19/27/83/502192783.db2.gz WDWKEHDFOJXJSJ-OAHLLOKOSA-N -1 1 358.463 3.409 20 30 FGEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1C#N ZINC000475733617 502271149 /nfs/dbraw/zinc/27/11/49/502271149.db2.gz LZTFFBWVPKDVOM-UHFFFAOYSA-N -1 1 350.783 3.019 20 30 FGEDMM CCNC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475811526 502298851 /nfs/dbraw/zinc/29/88/51/502298851.db2.gz XYEIOSRURPEJHG-UHFFFAOYSA-N -1 1 372.450 3.003 20 30 FGEDMM CCCc1cc(=O)[n-]c(S[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000484710239 502715965 /nfs/dbraw/zinc/71/59/65/502715965.db2.gz AOVQXUQIFOOQKQ-MRXNPFEDSA-N -1 1 368.462 3.294 20 30 FGEDMM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000484978008 502790632 /nfs/dbraw/zinc/79/06/32/502790632.db2.gz ZCBAWXCYJPAYAY-UHFFFAOYSA-N -1 1 374.418 3.155 20 30 FGEDMM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467137020 502799079 /nfs/dbraw/zinc/79/90/79/502799079.db2.gz CSPLHQVEGMMILX-UHFFFAOYSA-N -1 1 372.393 3.176 20 30 FGEDMM CSc1cc(C)ccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467150056 502802622 /nfs/dbraw/zinc/80/26/22/502802622.db2.gz UCSFDTPBTZVQLP-UHFFFAOYSA-N -1 1 368.430 3.345 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000514769255 503188651 /nfs/dbraw/zinc/18/86/51/503188651.db2.gz GMZUGBUAJMRPKV-AWEZNQCLSA-N -1 1 358.316 3.279 20 30 FGEDMM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000508074054 503423684 /nfs/dbraw/zinc/42/36/84/503423684.db2.gz NLLVYFFNRIXFNN-NSHDSACASA-N -1 1 357.259 3.056 20 30 FGEDMM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000517305609 503709408 /nfs/dbraw/zinc/70/94/08/503709408.db2.gz CNOJVQBASQUSMO-CQSZACIVSA-N -1 1 366.398 3.338 20 30 FGEDMM N#Cc1ccccc1OCC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534553238 504173061 /nfs/dbraw/zinc/17/30/61/504173061.db2.gz JTWQWKBEVDOBRA-UHFFFAOYSA-N -1 1 358.810 3.103 20 30 FGEDMM N#CC(=C([O-])c1ccccc1C(=O)c1ccc(F)c(F)c1)c1ccncn1 ZINC000544815142 504268388 /nfs/dbraw/zinc/26/83/88/504268388.db2.gz ZGRZPOABZBJPMF-OAHLLOKOSA-N -1 1 363.323 3.476 20 30 FGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000548603430 504492137 /nfs/dbraw/zinc/49/21/37/504492137.db2.gz LNXNYVXMQADCKQ-CYBMUJFWSA-N -1 1 372.343 3.322 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@H](c2cncc(Br)c2)C2CC2)cc1[O-] ZINC000557177996 505085852 /nfs/dbraw/zinc/08/58/52/505085852.db2.gz GMVHFKVUMWYURR-MRXNPFEDSA-N -1 1 372.222 3.302 20 30 FGEDMM N#Cc1ccc(-n2ccc(NC(=O)c3c(F)ccc([O-])c3F)n2)c(Cl)c1 ZINC000564320353 505383213 /nfs/dbraw/zinc/38/32/13/505383213.db2.gz CWDVTHCLOABIBF-UHFFFAOYSA-N -1 1 374.734 3.055 20 30 FGEDMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593187393 506450896 /nfs/dbraw/zinc/45/08/96/506450896.db2.gz KPKPDJDIQCVRHD-UHFFFAOYSA-N -1 1 372.446 3.465 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000589180720 506472638 /nfs/dbraw/zinc/47/26/38/506472638.db2.gz TZHMYLMTHDFKCC-UHFFFAOYSA-N -1 1 361.445 3.179 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3sc(Br)cc3C2)c1 ZINC000589192689 506477909 /nfs/dbraw/zinc/47/79/09/506477909.db2.gz YUUVMYFWXGWQND-UHFFFAOYSA-N -1 1 363.236 3.286 20 30 FGEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc(Cl)c2O1 ZINC000609875742 507033478 /nfs/dbraw/zinc/03/34/78/507033478.db2.gz HMFZUGLTKXRJAG-SECBINFHSA-N -1 1 366.801 3.475 20 30 FGEDMM N#Cc1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)cc1[O-] ZINC000598016219 507219109 /nfs/dbraw/zinc/21/91/09/507219109.db2.gz IMWUWSVNRHOIAC-HXUWFJFHSA-N -1 1 370.836 3.439 20 30 FGEDMM Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)[n-]c(=O)c1C1CC1 ZINC000601088166 507257319 /nfs/dbraw/zinc/25/73/19/507257319.db2.gz LTUHUAFCSFVGPM-UHFFFAOYSA-N -1 1 360.483 3.145 20 30 FGEDMM CC(C)(C)OC(=O)[C@](C)(NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000598502711 507460860 /nfs/dbraw/zinc/46/08/60/507460860.db2.gz OTWKUGDVIANJFR-OAQYLSRUSA-N -1 1 366.417 3.251 20 30 FGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000614366156 507481746 /nfs/dbraw/zinc/48/17/46/507481746.db2.gz AAWDJABRIBXBSP-IBGZPJMESA-N -1 1 354.381 3.224 20 30 FGEDMM COC(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(SC)cc1 ZINC000614366852 507481763 /nfs/dbraw/zinc/48/17/63/507481763.db2.gz ZKUFZXKDYIMNDP-KRWDZBQOSA-N -1 1 370.430 3.020 20 30 FGEDMM CC(C)(C)n1nnc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)n1 ZINC000598806695 507611260 /nfs/dbraw/zinc/61/12/60/507611260.db2.gz CGVMRXYCRJZIPT-UHFFFAOYSA-N -1 1 358.471 3.273 20 30 FGEDMM CC[C@H](/N=C\c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000828900836 601498581 /nfs/dbraw/zinc/49/85/81/601498581.db2.gz LGWVCUCTXPDCLU-HXNQLNRQSA-N -1 1 365.021 3.199 20 30 FGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc3ccccc3n2)o1 ZINC000735850374 599066684 /nfs/dbraw/zinc/06/66/84/599066684.db2.gz CVAGLRJJPDUTQF-UHFFFAOYSA-N -1 1 362.397 3.047 20 30 FGEDMM CCc1nc(C)c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000736700744 599220675 /nfs/dbraw/zinc/22/06/75/599220675.db2.gz WCTYKVOJPFMLIB-UHFFFAOYSA-N -1 1 360.447 3.142 20 30 FGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000739093346 600257650 /nfs/dbraw/zinc/25/76/50/600257650.db2.gz PJRMFIRUZLLUQD-UHFFFAOYSA-N -1 1 371.201 3.364 20 30 FGEDMM COc1ccc([C@H](NCc2ccc(C#N)cc2OC(F)F)C(=O)[O-])cc1 ZINC000832252813 601532436 /nfs/dbraw/zinc/53/24/36/601532436.db2.gz SLXVFMWRYNYGTP-INIZCTEOSA-N -1 1 362.332 3.084 20 30 FGEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000825264018 604249739 /nfs/dbraw/zinc/24/97/39/604249739.db2.gz ILOHTCCIEAIUEY-AAEUAGOBSA-N -1 1 353.369 3.028 20 30 FGEDMM Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)[nH]c21 ZINC000830531001 604417354 /nfs/dbraw/zinc/41/73/54/604417354.db2.gz AAAVFQCNNXIBSA-QLFBSQMISA-N -1 1 368.437 3.464 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822801909 606420304 /nfs/dbraw/zinc/42/03/04/606420304.db2.gz QSRUYTVAPTZWMN-UKRRQHHQSA-N -1 1 365.828 3.191 20 30 FGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822801909 606420306 /nfs/dbraw/zinc/42/03/06/606420306.db2.gz QSRUYTVAPTZWMN-UKRRQHHQSA-N -1 1 365.828 3.191 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822801910 606420323 /nfs/dbraw/zinc/42/03/23/606420323.db2.gz QSRUYTVAPTZWMN-ZFWWWQNUSA-N -1 1 365.828 3.191 20 30 FGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822801910 606420325 /nfs/dbraw/zinc/42/03/25/606420325.db2.gz QSRUYTVAPTZWMN-ZFWWWQNUSA-N -1 1 365.828 3.191 20 30 FGEDMM N#CCOc1ccc(Cl)cc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826382083 607863922 /nfs/dbraw/zinc/86/39/22/607863922.db2.gz NSXWRXCKNWWHRU-UHFFFAOYSA-N -1 1 359.748 3.141 20 30 FGEDMM N#CCOc1ccc(Cl)cc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826382083 607863923 /nfs/dbraw/zinc/86/39/23/607863923.db2.gz NSXWRXCKNWWHRU-UHFFFAOYSA-N -1 1 359.748 3.141 20 30 FGEDMM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402716 608094042 /nfs/dbraw/zinc/09/40/42/608094042.db2.gz AFRTWMFODUZZHP-IHWYPQMZSA-N -1 1 356.798 3.125 20 30 FGEDMM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402716 608094043 /nfs/dbraw/zinc/09/40/43/608094043.db2.gz AFRTWMFODUZZHP-IHWYPQMZSA-N -1 1 356.798 3.125 20 30 FGEDMM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402820 608094099 /nfs/dbraw/zinc/09/40/99/608094099.db2.gz CQQNVZGYRSSUJT-SREVYHEPSA-N -1 1 362.418 3.069 20 30 FGEDMM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402820 608094100 /nfs/dbraw/zinc/09/41/00/608094100.db2.gz CQQNVZGYRSSUJT-SREVYHEPSA-N -1 1 362.418 3.069 20 30 FGEDMM N#CCCCOc1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826381570 608177979 /nfs/dbraw/zinc/17/79/79/608177979.db2.gz QKZRPHQZQCXZTG-UHFFFAOYSA-N -1 1 361.818 3.403 20 30 FGEDMM N#CCCCOc1cccc(Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826381570 608177981 /nfs/dbraw/zinc/17/79/81/608177981.db2.gz QKZRPHQZQCXZTG-UHFFFAOYSA-N -1 1 361.818 3.403 20 30 FGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400214 609443015 /nfs/dbraw/zinc/44/30/15/609443015.db2.gz SHOXUISKQNUFRV-DJWKRKHSSA-N -1 1 361.770 3.386 20 30 FGEDMM