smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)s1 ZINC000048529133 551157126 /nfs/dbraw/zinc/15/71/26/551157126.db2.gz UAGGUVQXXXUKPI-CYBMUJFWSA-N -1 0 385.511 2.630 20 30 GFEDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153986309 551464373 /nfs/dbraw/zinc/46/43/73/551464373.db2.gz ULTFBDCAPVUKTL-UHFFFAOYSA-N -1 0 398.238 2.545 20 30 GFEDRM N#Cc1cccnc1N1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000176989146 552148903 /nfs/dbraw/zinc/14/89/03/552148903.db2.gz NPBMVNBYUVWBRH-UHFFFAOYSA-N -1 0 377.231 2.928 20 30 GFEDRM N#Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccncc3)ns2)ccc1Cl ZINC000182559306 552287341 /nfs/dbraw/zinc/28/73/41/552287341.db2.gz IVGFMTWZDZYRBF-UHFFFAOYSA-N -1 0 377.838 2.926 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)c(Cl)c1 ZINC000183159674 552302053 /nfs/dbraw/zinc/30/20/53/552302053.db2.gz OXDBMFPBXJDWRS-UHFFFAOYSA-N -1 0 376.825 2.756 20 30 GFEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)cc1F ZINC000185659298 552368954 /nfs/dbraw/zinc/36/89/54/552368954.db2.gz AZYGDWIAHUNUKO-UHFFFAOYSA-N -1 0 386.202 2.664 20 30 GFEDRM C=CCOC[C@@H](NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000263155977 553183504 /nfs/dbraw/zinc/18/35/04/553183504.db2.gz XTADXIKNYWSEBS-QMTHXVAHSA-N -1 0 388.233 2.539 20 30 GFEDRM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000425176842 563408093 /nfs/dbraw/zinc/40/80/93/563408093.db2.gz CJSCJUMMBWNPTF-UFBFGSQYSA-N -1 0 381.237 2.771 20 30 GFEDRM C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000427781007 563475385 /nfs/dbraw/zinc/47/53/85/563475385.db2.gz AQEZSSOYPVCYAX-UHFFFAOYSA-N -1 0 381.479 2.590 20 30 GFEDRM C=CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000410069703 563580619 /nfs/dbraw/zinc/58/06/19/563580619.db2.gz GSIQJONMWPXHGT-CQSZACIVSA-N -1 0 380.491 2.524 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc1Br ZINC000432727815 563591527 /nfs/dbraw/zinc/59/15/27/563591527.db2.gz KWCNXTRPYBHNHE-UHFFFAOYSA-N -1 0 399.197 2.959 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1Br ZINC000432779509 563593186 /nfs/dbraw/zinc/59/31/86/563593186.db2.gz KXBCWVSKKSCXON-UHFFFAOYSA-N -1 0 398.194 2.735 20 30 GFEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)nc(C)n1 ZINC000432963363 563598960 /nfs/dbraw/zinc/59/89/60/563598960.db2.gz VFOBQSCPAMQLPI-UHFFFAOYSA-N -1 0 381.255 2.782 20 30 GFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)s1 ZINC000435142277 563643202 /nfs/dbraw/zinc/64/32/02/563643202.db2.gz UTLJMCJSZCBRFS-UHFFFAOYSA-N -1 0 380.447 2.994 20 30 GFEDRM COC(=O)C[C@](C)(NS(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000435415628 563648623 /nfs/dbraw/zinc/64/86/23/563648623.db2.gz CLHUTQULPJUKJI-INIZCTEOSA-N -1 0 382.438 2.516 20 30 GFEDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c(F)c1Cl ZINC000290975302 563727964 /nfs/dbraw/zinc/72/79/64/563727964.db2.gz QNTDQSCWUOQRBS-AWEZNQCLSA-N -1 0 377.800 2.547 20 30 GFEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)onc1C(F)(F)F ZINC000414453820 563739123 /nfs/dbraw/zinc/73/91/23/563739123.db2.gz POLLXFQRWMCDOQ-UHFFFAOYSA-N -1 0 375.328 2.937 20 30 GFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(OC)c1 ZINC000442815399 563780634 /nfs/dbraw/zinc/78/06/34/563780634.db2.gz FDXZQJAVHUXGCT-UHFFFAOYSA-N -1 0 380.809 2.808 20 30 GFEDRM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C(F)(F)F)cn1 ZINC000446952096 563871247 /nfs/dbraw/zinc/87/12/47/563871247.db2.gz ZJZBWUXLTINTDK-GFCCVEGCSA-N -1 0 378.763 2.527 20 30 GFEDRM Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)C(F)(F)F)cn1 ZINC000446944259 563871254 /nfs/dbraw/zinc/87/12/54/563871254.db2.gz QHTRUPDTCPNDJP-LBPRGKRZSA-N -1 0 378.763 2.527 20 30 GFEDRM N#Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1Br ZINC000451052947 564267557 /nfs/dbraw/zinc/26/75/57/564267557.db2.gz GOOMAWQKJGBOMQ-UHFFFAOYSA-N -1 0 381.255 2.654 20 30 GFEDRM CCOCCOc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cc1 ZINC000451077589 564271145 /nfs/dbraw/zinc/27/11/45/564271145.db2.gz BZZCUTIJFJQKQQ-UHFFFAOYSA-N -1 0 381.841 2.823 20 30 GFEDRM CN1CCc2ccc(S(=O)(=O)[N-]c3cc(C#N)c(Br)cn3)cc21 ZINC000541781524 564288870 /nfs/dbraw/zinc/28/88/70/564288870.db2.gz DMPFLXRXIZFMEG-UHFFFAOYSA-N -1 0 393.266 2.509 20 30 GFEDRM C=CCC[C@H](NC(=O)c1cc(Br)cnc1OCC1CC1)C(=O)[O-] ZINC000566506866 564330687 /nfs/dbraw/zinc/33/06/87/564330687.db2.gz IOAXSDABGIQSOS-ZDUSSCGKSA-N -1 0 383.242 2.782 20 30 GFEDRM Cn1nc([C@H]2CCCOC2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000566601022 564333512 /nfs/dbraw/zinc/33/35/12/564333512.db2.gz PBIZCMZDEOJAJN-NSHDSACASA-N -1 0 380.857 2.640 20 30 GFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)s1 ZINC000511225100 564363028 /nfs/dbraw/zinc/36/30/28/564363028.db2.gz RPHIZEKPBNZGOD-UHFFFAOYSA-N -1 0 380.447 2.994 20 30 GFEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000568598803 564426246 /nfs/dbraw/zinc/42/62/46/564426246.db2.gz BPCCEJXEJVWSRJ-YUELXQCFSA-N -1 0 397.269 2.855 20 30 GFEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C#N)cc1 ZINC000546086885 564444112 /nfs/dbraw/zinc/44/41/12/564444112.db2.gz MZEKYDXMDAVHDC-UHFFFAOYSA-N -1 0 395.234 2.908 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)c(Cl)c1 ZINC000547270152 564481815 /nfs/dbraw/zinc/48/18/15/564481815.db2.gz MBPXALKSEAVLEH-UHFFFAOYSA-N -1 0 376.850 2.953 20 30 GFEDRM C=C(C)CS(=O)(=O)N[C@@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000516870847 564514840 /nfs/dbraw/zinc/51/48/40/564514840.db2.gz PUBIOFGAXNBKED-GXFFZTMASA-N -1 0 376.272 2.706 20 30 GFEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000547892570 564516732 /nfs/dbraw/zinc/51/67/32/564516732.db2.gz ZBVVPEVAAATUEM-GFCCVEGCSA-N -1 0 378.837 2.876 20 30 GFEDRM N#Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2F)ccc1Cl ZINC000547916589 564520648 /nfs/dbraw/zinc/52/06/48/564520648.db2.gz SHUKSYCZYZLKKF-OAHLLOKOSA-N -1 0 382.800 2.845 20 30 GFEDRM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000547938771 564524232 /nfs/dbraw/zinc/52/42/32/564524232.db2.gz JDIPEMMRQFKLJI-ZBEGNZNMSA-N -1 0 378.837 2.952 20 30 GFEDRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)c1C#N ZINC000517111987 564524344 /nfs/dbraw/zinc/52/43/44/564524344.db2.gz OXRFNVJKMSVNMC-UHFFFAOYSA-N -1 0 392.238 2.701 20 30 GFEDRM CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000517126447 564525430 /nfs/dbraw/zinc/52/54/30/564525430.db2.gz DZEVVAMIJSRAMO-TVQRCGJNSA-N -1 0 378.372 2.601 20 30 GFEDRM CN([C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)S(=O)(=O)CC1(C#N)CC1 ZINC000548232939 564539777 /nfs/dbraw/zinc/53/97/77/564539777.db2.gz ASDPAHPSMALGQL-LBPRGKRZSA-N -1 0 377.249 2.684 20 30 GFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000548265633 564545394 /nfs/dbraw/zinc/54/53/94/564545394.db2.gz GNWHFSQPDWKZIX-CQSZACIVSA-N -1 0 386.763 2.594 20 30 GFEDRM CCC[C@H](C#N)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000522962261 564660057 /nfs/dbraw/zinc/66/00/57/564660057.db2.gz NQWHYLGPAOZQGY-OAHLLOKOSA-N -1 0 377.491 2.900 20 30 GFEDRM CSc1[n-]c(=O)c(C(=O)Nc2nnc(CC(F)(F)F)s2)cc1C#N ZINC000488673122 564717106 /nfs/dbraw/zinc/71/71/06/564717106.db2.gz IPFXWFDGXPGJHQ-UHFFFAOYSA-N -1 0 375.357 2.589 20 30 GFEDRM C=CCCCS(=O)(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000576806209 564719525 /nfs/dbraw/zinc/71/95/25/564719525.db2.gz ZMTCFFCQAXVTRU-CYBMUJFWSA-N -1 0 376.272 2.803 20 30 GFEDRM C=CCOC[C@H](NC(=O)NCC(C)(C)c1cccc(Br)c1)C(=O)[O-] ZINC000577039183 564723782 /nfs/dbraw/zinc/72/37/82/564723782.db2.gz WGZAKVSUUMRLGD-AWEZNQCLSA-N -1 0 399.285 2.682 20 30 GFEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(F)ccc1I ZINC000577241721 564731168 /nfs/dbraw/zinc/73/11/68/564731168.db2.gz ZNOVXENQBBQMEQ-UHFFFAOYSA-N -1 0 396.163 2.577 20 30 GFEDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000554532826 564764508 /nfs/dbraw/zinc/76/45/08/564764508.db2.gz SNCZZNDIPDJMNE-TVQRCGJNSA-N -1 0 378.372 2.697 20 30 GFEDRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)c1 ZINC000460712600 564779556 /nfs/dbraw/zinc/77/95/56/564779556.db2.gz CTHCGNPNXPHLSV-UHFFFAOYSA-N -1 0 399.295 2.732 20 30 GFEDRM Cc1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])sc1SCC#N ZINC000494149577 564818249 /nfs/dbraw/zinc/81/82/49/564818249.db2.gz PNDXYDWIUJOFDD-UHFFFAOYSA-N -1 0 384.464 2.917 20 30 GFEDRM C=CCCS(=O)(=O)N[C@@H](c1ccc(Br)cc1)[C@@H](C)C(=O)[O-] ZINC000583604045 564899644 /nfs/dbraw/zinc/89/96/44/564899644.db2.gz OHISWMGESXBYMZ-ZWNOBZJWSA-N -1 0 376.272 2.706 20 30 GFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)s1 ZINC000583633972 564900645 /nfs/dbraw/zinc/90/06/45/564900645.db2.gz DLKBVJMVKHTLNX-UHFFFAOYSA-N -1 0 380.447 2.535 20 30 GFEDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000558580260 564907249 /nfs/dbraw/zinc/90/72/49/564907249.db2.gz HRPGPIGCWMUPGN-CYBMUJFWSA-N -1 0 378.372 2.697 20 30 GFEDRM COc1cc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)cc(Br)c1OC ZINC000584008706 564916019 /nfs/dbraw/zinc/91/60/19/564916019.db2.gz CRXJELZRVLTLTJ-UHFFFAOYSA-N -1 0 393.241 2.790 20 30 GFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000500475281 564954853 /nfs/dbraw/zinc/95/48/53/564954853.db2.gz MCBTVNNWVJICFO-UHFFFAOYSA-N -1 0 389.662 2.991 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C(=O)[O-])s2)c(F)c1 ZINC000562467068 565030231 /nfs/dbraw/zinc/03/02/31/565030231.db2.gz CNDNYQGHLVULBV-LBPRGKRZSA-N -1 0 380.422 2.983 20 30 GFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000614336991 565108588 /nfs/dbraw/zinc/10/85/88/565108588.db2.gz BICVCTNLXUEAQF-AWEZNQCLSA-N -1 0 386.763 2.594 20 30 GFEDRM Cc1cc(S(=O)(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccsc2)ccc1C#N ZINC000618072111 565273941 /nfs/dbraw/zinc/27/39/41/565273941.db2.gz KLGIXLZWOIOYPC-CABCVRRESA-N -1 0 394.499 2.818 20 30 GFEDRM Cc1oc(S(=O)(=O)N(C)C)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647378380 565659411 /nfs/dbraw/zinc/65/94/11/565659411.db2.gz UCDZLCBALYAGNC-GFCCVEGCSA-N -1 0 379.463 2.662 20 30 GFEDRM COC(=O)c1csc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)c1 ZINC000608928275 566027714 /nfs/dbraw/zinc/02/77/14/566027714.db2.gz COLSSVIMBGJBNZ-UHFFFAOYSA-N -1 0 389.505 2.716 20 30 GFEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000656585382 566144160 /nfs/dbraw/zinc/14/41/60/566144160.db2.gz QUWFMYAKTLQBBM-CQDKDKBSSA-N -1 0 397.269 2.855 20 30 GFEDRM CCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)cn1 ZINC000736717819 598924390 /nfs/dbraw/zinc/92/43/90/598924390.db2.gz FTDIALXPICHISM-AWEZNQCLSA-N -1 0 390.432 2.697 20 30 GFEDRM Cc1[nH]nc(C([O-])=C(C#N)c2nc(-c3ccc(-c4nn[nH]n4)cc3)cs2)c1C ZINC000737201877 599152472 /nfs/dbraw/zinc/15/24/72/599152472.db2.gz KEAMVCYZSLIOIP-ZDUSSCGKSA-N -1 0 390.432 2.820 20 30 GFEDRM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000820425370 597410192 /nfs/dbraw/zinc/41/01/92/597410192.db2.gz HNYFVJVDCYGFRT-JVPBZIDWSA-N -1 0 393.443 2.896 20 30 GFEDRM 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379.420 2.750 20 30 GFEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@@H](C)Oc3ccccc3C#N)nc2n1 ZINC000738343361 600052157 /nfs/dbraw/zinc/05/21/57/600052157.db2.gz UAFDFGYNOKIUEA-SNVBAGLBSA-N -1 0 382.401 2.976 20 30 GFEDRM Cc1cccc(C[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)[O-])c1 ZINC000738698592 600063527 /nfs/dbraw/zinc/06/35/27/600063527.db2.gz OYAQBXAENKOCEA-HNNXBMFYSA-N -1 0 399.834 2.518 20 30 GFEDRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])S(=O)(=O)CCCCC#N ZINC000736723096 600083356 /nfs/dbraw/zinc/08/33/56/600083356.db2.gz ATDLMMZOPMYYGD-CQSZACIVSA-N -1 0 391.449 2.960 20 30 GFEDRM Cc1cc(CN=Nc2ccccc2S(C)(=O)=O)cc(C)c1OCC(=O)[O-] ZINC000738379905 600181657 /nfs/dbraw/zinc/18/16/57/600181657.db2.gz VQXWDTUTWMGBRD-UHFFFAOYSA-N -1 0 376.434 2.616 20 30 GFEDRM N#Cc1ccccc1-c1ccccc1C(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000739139564 600184737 /nfs/dbraw/zinc/18/47/37/600184737.db2.gz IDZLDDCIAGLEEJ-UHFFFAOYSA-N -1 0 377.356 2.982 20 30 GFEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(-n2cccn2)n1 ZINC000736115182 600246848 /nfs/dbraw/zinc/24/68/48/600246848.db2.gz WZGQPVUXOZLHLH-UHFFFAOYSA-N -1 0 379.372 2.922 20 30 GFEDRM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000738426080 600256631 /nfs/dbraw/zinc/25/66/31/600256631.db2.gz SNAYDOUQWDAJDY-QGZVFWFLSA-N -1 0 386.791 2.930 20 30 GFEDRM C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)[O-] ZINC000736587531 600345262 /nfs/dbraw/zinc/34/52/62/600345262.db2.gz YALMINRWEMBEHL-MLGOLLRUSA-N -1 0 399.834 2.771 20 30 GFEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000739078823 600405639 /nfs/dbraw/zinc/40/56/39/600405639.db2.gz NPYGHCCDRDQTSD-UHFFFAOYSA-N -1 0 394.362 2.957 20 30 GFEDRM CCCc1c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[nH]c(C)c1C(=O)[O-] ZINC000737041319 600424326 /nfs/dbraw/zinc/42/43/26/600424326.db2.gz LOPRWRUEDQKXHR-KRWDZBQOSA-N -1 0 394.475 2.824 20 30 GFEDRM Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738933242 600520792 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380.404 2.862 20 30 GFEDRM COCCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC000737764588 601028494 /nfs/dbraw/zinc/02/84/94/601028494.db2.gz IZVYDBAMCRLLJU-UHFFFAOYSA-N -1 0 377.400 2.891 20 30 GFEDRM Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832910553 601131970 /nfs/dbraw/zinc/13/19/70/601131970.db2.gz RFTKUUYEWKBIOV-ZDUSSCGKSA-N -1 0 384.417 2.553 20 30 GFEDRM Cc1[nH]c(C(=O)[C@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843302 601139665 /nfs/dbraw/zinc/13/96/65/601139665.db2.gz UBFIVLSGUOPYRA-FUHWJXTLSA-N -1 0 394.475 2.783 20 30 GFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833016107 601170537 /nfs/dbraw/zinc/17/05/37/601170537.db2.gz PJPHXDLZLPFKQO-VLIAUNLRSA-N -1 0 382.464 2.924 20 30 GFEDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000827819267 601183992 /nfs/dbraw/zinc/18/39/92/601183992.db2.gz ZAQILESUHOJOEN-SDDRHHMPSA-N -1 0 378.812 2.973 20 30 GFEDRM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829624505 601308977 /nfs/dbraw/zinc/30/89/77/601308977.db2.gz VKMUPIAHKNFROL-HXUWFJFHSA-N -1 0 394.431 2.603 20 30 GFEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)[nH]1 ZINC000833313135 601336595 /nfs/dbraw/zinc/33/65/95/601336595.db2.gz LFGFLKFQIXOZMO-UHFFFAOYSA-N -1 0 392.238 2.905 20 30 GFEDRM Cc1c[nH]c(=O)n1-c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832856711 601350317 /nfs/dbraw/zinc/35/03/17/601350317.db2.gz ZPQLDNQJOJJRDT-QGZVFWFLSA-N -1 0 377.356 2.741 20 30 GFEDRM C=CC[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)c1ccncc1 ZINC000825664540 601362368 /nfs/dbraw/zinc/36/23/68/601362368.db2.gz DDXHVASGHHKENE-INIZCTEOSA-N -1 0 397.431 2.939 20 30 GFEDRM COC[C@](C)(CCO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000831590515 601364691 /nfs/dbraw/zinc/36/46/91/601364691.db2.gz JOMVODQZFDNRLY-QFIPXVFZSA-N -1 0 396.443 2.694 20 30 GFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833069068 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COc1cccc(S(C)(=O)=O)c1NN=Cc1cccc(C(=O)[O-])c1Cl ZINC000814905468 660098314 /nfs/dbraw/zinc/09/83/14/660098314.db2.gz HQIPBUJCIYJKHA-UHFFFAOYSA-N -1 0 382.825 2.896 20 30 GFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Br)c(CC)s1 ZINC000815904865 660135181 /nfs/dbraw/zinc/13/51/81/660135181.db2.gz SDHDUWODSPCJMD-SNVBAGLBSA-N -1 0 387.299 2.938 20 30 GFEDRM N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000816126516 660144189 /nfs/dbraw/zinc/14/41/89/660144189.db2.gz JAKDWIFPYWMSBP-ZZXKWVIFSA-N -1 0 397.821 2.700 20 30 GFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC000842410502 661337986 /nfs/dbraw/zinc/33/79/86/661337986.db2.gz DGVWNFRWSXTMIL-UHFFFAOYSA-N -1 0 376.247 2.584 20 30 GFEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000844786356 661439434 /nfs/dbraw/zinc/43/94/34/661439434.db2.gz OXEWREZIOQHLSI-SECBINFHSA-N -1 0 387.763 2.936 20 30 GFEDRM O=C([O-])C#CC1CCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000844814835 661441882 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GFEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000860483159 662202164 /nfs/dbraw/zinc/20/21/64/662202164.db2.gz PURLNJDMWWFLJM-VGTOOOLASA-N -1 0 395.253 2.873 20 30 GFEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC000860613254 662207428 /nfs/dbraw/zinc/20/74/28/662207428.db2.gz YKWYWGZWUVHPLB-CTHBEMJXSA-N -1 0 384.233 2.660 20 30 GFEDRM C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1C)C(=O)[O-] ZINC000863421341 662330131 /nfs/dbraw/zinc/33/01/31/662330131.db2.gz RMELBGSJPIZTLD-SNVBAGLBSA-N -1 0 382.663 2.632 20 30 GFEDRM C=C(Cl)C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(=O)[O-] ZINC000864185563 662359352 /nfs/dbraw/zinc/35/93/52/662359352.db2.gz WXCDYZJXJGMZCU-PWSUYJOCSA-N -1 0 389.260 2.855 20 30 GFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)CC1 ZINC000870371245 662687544 /nfs/dbraw/zinc/68/75/44/662687544.db2.gz YQLCDQIYMKVKFB-UHFFFAOYSA-N -1 0 379.404 2.500 20 30 GFEDRM C[C@@]1(C#N)CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)C1 ZINC000871940251 662744228 /nfs/dbraw/zinc/74/42/28/662744228.db2.gz GOXREOLNQKTTTM-AWEZNQCLSA-N -1 0 376.356 2.718 20 30 GFEDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3ccc(Br)cc3C#N)C2)cn1 ZINC000873070263 662798440 /nfs/dbraw/zinc/79/84/40/662798440.db2.gz QXEJYCUVGIAPCI-CHWSQXEVSA-N -1 0 389.253 2.749 20 30 GFEDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)CC(F)(F)C1 ZINC000873526366 662808602 /nfs/dbraw/zinc/80/86/02/662808602.db2.gz QVYGNNNKMZVATO-UHFFFAOYSA-N -1 0 393.209 2.561 20 30 GFEDRM N#Cc1cc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ncc1Br ZINC000882382889 663026338 /nfs/dbraw/zinc/02/63/38/663026338.db2.gz JXYQLEBRECMGBU-VIFPVBQESA-N -1 0 391.191 2.611 20 30 GFEDRM N#CCCc1ccc(S(=O)(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1 ZINC000886399214 663109880 /nfs/dbraw/zinc/10/98/80/663109880.db2.gz LIYAEFUXTJZPIA-UHFFFAOYSA-N -1 0 376.385 2.900 20 30 GFEDRM C#CC[C@@H](NC(=O)Nc1ccc(I)c(C)c1C)C(=O)[O-] ZINC000900346972 663712908 /nfs/dbraw/zinc/71/29/08/663712908.db2.gz PPIVAVHNXYHFSK-GFCCVEGCSA-N -1 0 386.189 2.506 20 30 GFEDRM N#Cc1cnn(C2CCOCC2)c1[N-]S(=O)(=O)c1cscc1C(F)F ZINC000903632890 663794975 /nfs/dbraw/zinc/79/49/75/663794975.db2.gz HGONUNWMILINFL-UHFFFAOYSA-N -1 0 388.421 2.906 20 30 GFEDRM N#CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(F)(F)F ZINC000905108677 663853800 /nfs/dbraw/zinc/85/38/00/663853800.db2.gz VQQLVLLYRIZLLK-SSDOTTSWSA-N -1 0 381.685 2.877 20 30 GFEDRM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)Cc1ccc(Br)cc1C ZINC000905991377 663905786 /nfs/dbraw/zinc/90/57/86/663905786.db2.gz BJFMRYHOXFPATP-ZDUSSCGKSA-N -1 0 376.272 2.596 20 30 GFEDRM C=CCC1(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCOCC1 ZINC000907040425 663995916 /nfs/dbraw/zinc/99/59/16/663995916.db2.gz MWJYZGCFJROOMD-UHFFFAOYSA-N -1 0 377.821 2.581 20 30 GFEDRM O=C([C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000907857319 664066439 /nfs/dbraw/zinc/06/64/39/664066439.db2.gz WAWXFXLKQIZCNX-RNFRBKRXSA-N -1 0 388.230 2.787 20 30 GFEDRM C=C(Cl)C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)[O-] ZINC000908851501 664130895 /nfs/dbraw/zinc/13/08/95/664130895.db2.gz MWUXITFKFGJCON-HNNXBMFYSA-N -1 0 383.901 2.635 20 30 GFEDRM N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1F ZINC000914688796 664413979 /nfs/dbraw/zinc/41/39/79/664413979.db2.gz WCSUVHQYOACDDU-CQSZACIVSA-N -1 0 382.800 2.845 20 30 GFEDRM C[C@]1(c2ccccc2)NC(=O)N(N=Cc2cccc(Br)c2[O-])C1=O ZINC000915948337 664445005 /nfs/dbraw/zinc/44/50/05/664445005.db2.gz PSFMZPUZJWFIJT-QGZVFWFLSA-N -1 0 388.221 2.956 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c(Cl)c1 ZINC000183020620 552298776 /nfs/dbraw/zinc/29/87/76/552298776.db2.gz GIGVCZCMOCTRBY-UHFFFAOYSA-N -1 0 377.788 2.732 20 30 GFEDRM CCc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)nc(C)n1 ZINC000186117043 552379143 /nfs/dbraw/zinc/37/91/43/552379143.db2.gz RYMOTANHJWNYHF-UHFFFAOYSA-N -1 0 381.255 2.782 20 30 GFEDRM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC000187016526 552404078 /nfs/dbraw/zinc/40/40/78/552404078.db2.gz CFMLLGCZJMTKRA-UHFFFAOYSA-N -1 0 381.816 2.853 20 30 GFEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC000188996385 552460199 /nfs/dbraw/zinc/46/01/99/552460199.db2.gz CHPPBUAEOKNGDL-KBPBESRZSA-N -1 0 386.217 2.735 20 30 GFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1F ZINC000192127241 552551597 /nfs/dbraw/zinc/55/15/97/552551597.db2.gz CIAWCUHZOPOMIT-LBPRGKRZSA-N -1 0 382.438 2.621 20 30 GFEDRM O=S(=O)([N-]c1ncn(CC(F)(F)F)n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000194996883 553035043 /nfs/dbraw/zinc/03/50/43/553035043.db2.gz YKJKUOYXWFGGJX-UHFFFAOYSA-N -1 0 392.256 2.799 20 30 GFEDRM C=CC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000410069702 563580195 /nfs/dbraw/zinc/58/01/95/563580195.db2.gz GSIQJONMWPXHGT-AWEZNQCLSA-N -1 0 380.491 2.524 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1Br ZINC000432953471 563597955 /nfs/dbraw/zinc/59/79/55/563597955.db2.gz BDSIWRGFSWIMLI-UHFFFAOYSA-N -1 0 377.223 2.998 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)s1 ZINC000435485360 563652879 /nfs/dbraw/zinc/65/28/79/563652879.db2.gz VWKLLWMNZQUESM-UHFFFAOYSA-N -1 0 392.380 2.810 20 30 GFEDRM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1O ZINC000436768022 563679273 /nfs/dbraw/zinc/67/92/73/563679273.db2.gz HNFBPSUIOUTRCG-UHFFFAOYSA-N -1 0 380.809 2.813 20 30 GFEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000471958910 564209106 /nfs/dbraw/zinc/20/91/06/564209106.db2.gz PFVVLRKDDWAHGK-UHFFFAOYSA-N -1 0 384.816 2.901 20 30 GFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1SCC(N)=O ZINC000509253343 564290591 /nfs/dbraw/zinc/29/05/91/564290591.db2.gz GQQOSAURACGVLB-UHFFFAOYSA-N -1 0 381.866 2.590 20 30 GFEDRM CC(C)[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000566119070 564310651 /nfs/dbraw/zinc/31/06/51/564310651.db2.gz PQLIRAKOMAXXNC-TVQRCGJNSA-N -1 0 378.372 2.601 20 30 GFEDRM Cc1c(Cl)cc(S(=O)(=O)N2CCc3ccc(C#N)cc32)cc1C(=O)[O-] ZINC000479235013 564432842 /nfs/dbraw/zinc/43/28/42/564432842.db2.gz OMOYEWRRMQLMHR-UHFFFAOYSA-N -1 0 376.821 2.970 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000569979191 564486644 /nfs/dbraw/zinc/48/66/44/564486644.db2.gz OHNDXKISOMZUKP-CYBMUJFWSA-N -1 0 382.488 2.534 20 30 GFEDRM O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000570535270 564510499 /nfs/dbraw/zinc/51/04/99/564510499.db2.gz YXVXHILURRGWJS-LURJTMIESA-N -1 0 397.268 2.776 20 30 GFEDRM N#CC1(CS(=O)(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccsc2)CCCC1 ZINC000547884553 564515778 /nfs/dbraw/zinc/51/57/78/564515778.db2.gz JAVBBETYMUXZHL-OLZOCXBDSA-N -1 0 386.520 2.662 20 30 GFEDRM CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000548265321 564545363 /nfs/dbraw/zinc/54/53/63/564545363.db2.gz AESBDZYTQYTPAM-LBPRGKRZSA-N -1 0 378.372 2.745 20 30 GFEDRM C=CCC[C@@H](CO)NC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000455363352 564550287 /nfs/dbraw/zinc/55/02/87/564550287.db2.gz WBBBICGZHBSAPN-JTQLQIEISA-N -1 0 397.298 2.838 20 30 GFEDRM Cc1cc([C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C(=O)[O-])ccc1Cl ZINC000548541921 564557985 /nfs/dbraw/zinc/55/79/85/564557985.db2.gz FKZYQNMAOCCLNP-OAHLLOKOSA-N -1 0 382.800 2.763 20 30 GFEDRM N#Cc1cccc(CS(=O)(=O)N(CC(=O)[O-])Cc2ccc(Cl)s2)c1 ZINC000548578710 564564079 /nfs/dbraw/zinc/56/40/79/564564079.db2.gz YQMFAJYZKWVJGB-UHFFFAOYSA-N -1 0 384.866 2.690 20 30 GFEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2cccc(Br)c2)c1C#N ZINC000484047152 564581101 /nfs/dbraw/zinc/58/11/01/564581101.db2.gz TVKJWRWQDNGVNQ-UHFFFAOYSA-N -1 0 398.286 2.691 20 30 GFEDRM N#Cc1c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]c1C1CC1 ZINC000485995095 564634694 /nfs/dbraw/zinc/63/46/94/564634694.db2.gz YNEOKJFAXAQGGT-UHFFFAOYSA-N -1 0 392.238 2.594 20 30 GFEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1C#N ZINC000487310443 564682816 /nfs/dbraw/zinc/68/28/16/564682816.db2.gz NAAZUJHSLGOOFJ-UHFFFAOYSA-N -1 0 397.865 2.690 20 30 GFEDRM N#Cc1c([N-]S(=O)(=O)Cc2ccc(Br)cc2)nc2n1CCS2 ZINC000460727544 564779734 /nfs/dbraw/zinc/77/97/34/564779734.db2.gz OZPPPUDYYLAHGN-UHFFFAOYSA-N -1 0 399.295 2.565 20 30 GFEDRM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2C#N)nc1 ZINC000581600871 564809877 /nfs/dbraw/zinc/80/98/77/564809877.db2.gz ZUSRYULRFFJEOS-UHFFFAOYSA-N -1 0 381.255 2.583 20 30 GFEDRM Cc1cc(S(=O)(=O)N(CC(=O)[O-])Cc2cccc(C#N)c2)sc1Cl ZINC000530435905 564881931 /nfs/dbraw/zinc/88/19/31/564881931.db2.gz YKSWGIDLBPRNFC-UHFFFAOYSA-N -1 0 384.866 2.857 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(C(=O)[O-])s2)cc1F ZINC000583601026 564898493 /nfs/dbraw/zinc/89/84/93/564898493.db2.gz PMVBJGQYLNNUER-CYBMUJFWSA-N -1 0 380.422 2.983 20 30 GFEDRM CC1(C#N)CN(C(=O)N=c2[n-]nc(-c3cccc(Br)c3)s2)C1 ZINC000499282911 564923130 /nfs/dbraw/zinc/92/31/30/564923130.db2.gz WQNMKFVATBRUQU-UHFFFAOYSA-N -1 0 378.255 2.767 20 30 GFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C2CCOCC2)cs1 ZINC000560452793 564962138 /nfs/dbraw/zinc/96/21/38/564962138.db2.gz NCYOYLOSXDEIDS-UHFFFAOYSA-N -1 0 379.463 2.718 20 30 GFEDRM COC(=O)c1cccc(CSc2n[n-]c(=NCC(F)(F)F)s2)c1C#N ZINC000534427711 564988932 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382.737 2.586 20 30 GFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC000825966683 601022265 /nfs/dbraw/zinc/02/22/65/601022265.db2.gz JVLJVFMTMNPBKD-UONOGXRCSA-N -1 0 393.534 2.769 20 30 GFEDRM C#CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000825632190 601085502 /nfs/dbraw/zinc/08/55/02/601085502.db2.gz USNWSBMNGREWNV-UHFFFAOYSA-N -1 0 384.388 2.736 20 30 GFEDRM C=CCOc1ccccc1C(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825702662 601098963 /nfs/dbraw/zinc/09/89/63/601098963.db2.gz SOFIIRJUYCMJOT-OAHLLOKOSA-N -1 0 387.413 2.973 20 30 GFEDRM C#CCN(C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)C1CCCCC1 ZINC000825609106 601154720 /nfs/dbraw/zinc/15/47/20/601154720.db2.gz UXYZEIZJGOEDDK-HNNXBMFYSA-N -1 0 389.477 2.529 20 30 GFEDRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000833173140 601196956 /nfs/dbraw/zinc/19/69/56/601196956.db2.gz ZMRVFGILVMJALF-FQEVSTJZSA-N -1 0 382.847 2.662 20 30 GFEDRM COc1cc(N[C@H]2CCN(c3sccc3C#N)C2=O)c(C(=O)[O-])cc1OC ZINC000832026947 601262829 /nfs/dbraw/zinc/26/28/29/601262829.db2.gz SAHIPZWCSSJIHS-LBPRGKRZSA-N -1 0 387.417 2.553 20 30 GFEDRM Cc1ccc(N2C[C@H](C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)CC2=O)cc1F ZINC000832936959 601345167 /nfs/dbraw/zinc/34/51/67/601345167.db2.gz XQZDGPXOMIOWGD-BEFAXECRSA-N -1 0 396.374 2.728 20 30 GFEDRM CS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Cl ZINC000832703905 601345785 /nfs/dbraw/zinc/34/57/85/601345785.db2.gz JBJVNGBGAWTVFB-OAHLLOKOSA-N -1 0 393.804 2.598 20 30 GFEDRM Cc1cc2nc(C)c(CCC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c(C)n2n1 ZINC000832906536 601346628 /nfs/dbraw/zinc/34/66/28/601346628.db2.gz LAOIHIMJXFXGBP-FQEVSTJZSA-N -1 0 392.415 2.828 20 30 GFEDRM CCCS(=O)(=O)c1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829545618 601348150 /nfs/dbraw/zinc/34/81/50/601348150.db2.gz BQUYPUZKUDEWCB-KRWDZBQOSA-N -1 0 387.413 2.725 20 30 GFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833015853 601349801 /nfs/dbraw/zinc/34/98/01/601349801.db2.gz MYEPXLNAFKADDT-LJQANCHMSA-N -1 0 380.404 2.587 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833064901 601385409 /nfs/dbraw/zinc/38/54/09/601385409.db2.gz OSJODBPSFSWVHD-LSDHHAIUSA-N -1 0 376.459 2.907 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000833065046 601385452 /nfs/dbraw/zinc/38/54/52/601385452.db2.gz QTYASSUTEIZVNC-RBUKOAKNSA-N -1 0 384.457 2.986 20 30 GFEDRM C/C(=C/COC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)[O-] ZINC000825758808 601415141 /nfs/dbraw/zinc/41/51/41/601415141.db2.gz QIZGIOCXOSMEIH-SDQBBNPISA-N -1 0 385.376 2.597 20 30 GFEDRM Cc1cccc(C[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C(=O)[O-])c1 ZINC000832967548 601586022 /nfs/dbraw/zinc/58/60/22/601586022.db2.gz HKQJCJUOQMXBLJ-HNNXBMFYSA-N -1 0 399.834 2.518 20 30 GFEDRM N#CCCN(C(=O)CCC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000833065796 601753939 /nfs/dbraw/zinc/75/39/39/601753939.db2.gz MLKLGBQCPQKWAZ-FQEVSTJZSA-N -1 0 385.464 2.863 20 30 GFEDRM C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000825687369 601828988 /nfs/dbraw/zinc/82/89/88/601828988.db2.gz IWEZYNPASBZGIZ-UHFFFAOYSA-N -1 0 394.836 2.755 20 30 GFEDRM N#Cc1cc(F)c(S(=O)(=O)Oc2ccc(SCC(=O)[O-])cc2)c(F)c1 ZINC000833069483 601987340 /nfs/dbraw/zinc/98/73/40/601987340.db2.gz AHQOLGAQBVYTPQ-UHFFFAOYSA-N -1 0 385.369 2.781 20 30 GFEDRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccc(C#N)c1 ZINC000827756139 602161025 /nfs/dbraw/zinc/16/10/25/602161025.db2.gz WGNQNWIHESOXOP-QMMMGPOBSA-N -1 0 399.222 2.651 20 30 GFEDRM C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825705432 602197655 /nfs/dbraw/zinc/19/76/55/602197655.db2.gz HDDGCAURFGNOHT-CZUORRHYSA-N -1 0 388.493 2.886 20 30 GFEDRM CCOc1cc(C(=O)Nc2ccc(F)cc2OCC#N)ccc1OCC(=O)[O-] ZINC000830037833 602197887 /nfs/dbraw/zinc/19/78/87/602197887.db2.gz KLQRBYFZFMXGFE-UHFFFAOYSA-N -1 0 388.351 2.842 20 30 GFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000740316584 602267023 /nfs/dbraw/zinc/26/70/23/602267023.db2.gz MXEZEFAMJJWOMX-DFQSSKMNSA-N -1 0 396.491 2.908 20 30 GFEDRM C#Cc1cccc(N(C(=O)c2nnn(C3CCN(C(=O)[O-])CC3)c2C)C(C)C)c1 ZINC000738467972 602272762 /nfs/dbraw/zinc/27/27/62/602272762.db2.gz QHJOIFGNXFUHJA-UHFFFAOYSA-N -1 0 395.463 2.938 20 30 GFEDRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C#Cc1ccc2c(c1)OCO2)CC3 ZINC000833324021 602320607 /nfs/dbraw/zinc/32/06/07/602320607.db2.gz IETQTUIFHHYVCI-UHFFFAOYSA-N -1 0 388.379 2.531 20 30 GFEDRM N#Cc1ccc(OC2CCN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000740319188 602358514 /nfs/dbraw/zinc/35/85/14/602358514.db2.gz MVCZVYAWVWRGBJ-LJQANCHMSA-N -1 0 379.416 2.937 20 30 GFEDRM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738619472 602399564 /nfs/dbraw/zinc/39/95/64/602399564.db2.gz XLYXGKKHJYJIPH-HZPDHXFCSA-N -1 0 390.459 2.783 20 30 GFEDRM CN(C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1)C(=O)[O-] ZINC000739657142 602497445 /nfs/dbraw/zinc/49/74/45/602497445.db2.gz OYLXFPFNDDVVJF-HNNXBMFYSA-N -1 0 380.404 2.817 20 30 GFEDRM Cc1nc(SCC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c(C#N)c(C)c1C ZINC000740220095 602506666 /nfs/dbraw/zinc/50/66/66/602506666.db2.gz NKMQSEBEFIHYBQ-GOSISDBHSA-N -1 0 376.482 2.523 20 30 GFEDRM N#CCCN(C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-])c1ccccc1 ZINC000740309210 602656590 /nfs/dbraw/zinc/65/65/90/602656590.db2.gz XUOMWSPDFWDJNI-SZMVWBNQSA-N -1 0 399.447 2.788 20 30 GFEDRM COc1ccccc1[C@H](CNC(=O)NCc1ccc(C#N)cc1F)NC(=O)[O-] ZINC000739960756 602669143 /nfs/dbraw/zinc/66/91/43/602669143.db2.gz FSWSXCABGHCZIN-INIZCTEOSA-N -1 0 386.383 2.514 20 30 GFEDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000739011289 602693651 /nfs/dbraw/zinc/69/36/51/602693651.db2.gz SDVQSPOJUDXCGF-AWEZNQCLSA-N -1 0 390.509 2.869 20 30 GFEDRM O=C([O-])N1CC[C@@H](CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000740403513 602695881 /nfs/dbraw/zinc/69/58/81/602695881.db2.gz CLCJFRRVZNKGQZ-CQSZACIVSA-N -1 0 383.370 2.746 20 30 GFEDRM C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H](C)N1C(=O)[O-] ZINC000739171110 602765852 /nfs/dbraw/zinc/76/58/52/602765852.db2.gz GQKNTEPPGKFPAM-KBPBESRZSA-N -1 0 383.404 2.943 20 30 GFEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738619017 602826762 /nfs/dbraw/zinc/82/67/62/602826762.db2.gz WJGWODABRVGLQJ-ZNMIVQPWSA-N -1 0 376.432 2.533 20 30 GFEDRM N#C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000740304780 602845661 /nfs/dbraw/zinc/84/56/61/602845661.db2.gz ZLPNXGRVWNTMMN-UBHUBRDASA-N -1 0 380.242 2.956 20 30 GFEDRM N#Cc1ccc(NC(=O)COC(=O)[C@H](NC(=O)[O-])c2ccccc2)cc1Cl ZINC000740315276 602893713 /nfs/dbraw/zinc/89/37/13/602893713.db2.gz HQTXJBYRFLOTSO-MRXNPFEDSA-N -1 0 387.779 2.702 20 30 GFEDRM N#Cc1cccc(CNC(=O)COC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000740320775 602905948 /nfs/dbraw/zinc/90/59/48/602905948.db2.gz ZSUPBGXCEIYDTH-UHFFFAOYSA-N -1 0 387.779 2.775 20 30 GFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740315549 603020641 /nfs/dbraw/zinc/02/06/41/603020641.db2.gz KIQOHWXVUHTYDY-OALUTQOASA-N -1 0 378.432 2.652 20 30 GFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000740052973 603261540 /nfs/dbraw/zinc/26/15/40/603261540.db2.gz PODQVJWICGRGPB-UHFFFAOYSA-N -1 0 385.445 2.776 20 30 GFEDRM N#C[C@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccc(OCc2ccccc2)cc1 ZINC000740304284 603299306 /nfs/dbraw/zinc/29/93/06/603299306.db2.gz RXCUEOPMHBLFRL-HKUYNNGSSA-N -1 0 379.416 2.946 20 30 GFEDRM N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](CNC(=O)[O-])C3)c2)c1 ZINC000740322694 603429730 /nfs/dbraw/zinc/42/97/30/603429730.db2.gz FVBJMHONEZNIME-KRWDZBQOSA-N -1 0 379.416 2.867 20 30 GFEDRM CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000827870712 603532673 /nfs/dbraw/zinc/53/26/73/603532673.db2.gz FGDWSZWWUPYDAP-SFHVURJKSA-N -1 0 379.416 2.962 20 30 GFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000823647683 603579404 /nfs/dbraw/zinc/57/94/04/603579404.db2.gz 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N#Cc1ccc(OC2CCC(NC(=O)NC3CCC(C(=O)[O-])CC3)CC2)nc1 ZINC000263157451 598150995 /nfs/dbraw/zinc/15/09/95/598150995.db2.gz BRPSJZOAGFSHSG-UHFFFAOYSA-N -1 0 386.452 2.586 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000821320245 598175012 /nfs/dbraw/zinc/17/50/12/598175012.db2.gz KDRCFUHFIVCQEN-WMZOPIPTSA-N -1 0 377.400 2.622 20 30 GFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000819864635 598222635 /nfs/dbraw/zinc/22/26/35/598222635.db2.gz AGURIWMOIYQSQJ-GOSISDBHSA-N -1 0 384.417 2.638 20 30 GFEDRM CCN(Cc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1)C(=O)C(F)(F)F ZINC000820348320 598223928 /nfs/dbraw/zinc/22/39/28/598223928.db2.gz QXJJKRQWXMBVHF-MRXNPFEDSA-N -1 0 385.342 2.540 20 30 GFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000819842202 598224633 /nfs/dbraw/zinc/22/46/33/598224633.db2.gz LDXLLCZVMMQOFC-HXUWFJFHSA-N -1 0 383.379 2.699 20 30 GFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000819843200 598225786 /nfs/dbraw/zinc/22/57/86/598225786.db2.gz ZEGIKKLIEDOSMG-FQEVSTJZSA-N -1 0 383.379 2.699 20 30 GFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000819856833 598227217 /nfs/dbraw/zinc/22/72/17/598227217.db2.gz NTUQXEQAWGIKPV-IBGZPJMESA-N -1 0 386.429 2.604 20 30 GFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC000819864765 598227508 /nfs/dbraw/zinc/22/75/08/598227508.db2.gz DGVWFRCOTKLOAQ-GOSISDBHSA-N -1 0 381.417 2.939 20 30 GFEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1[O-] ZINC000738358979 598315274 /nfs/dbraw/zinc/31/52/74/598315274.db2.gz HHFXRNLUTBNWFV-UHFFFAOYSA-N -1 0 393.285 2.945 20 30 GFEDRM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)ccc1[O-] ZINC000738360521 598316498 /nfs/dbraw/zinc/31/64/98/598316498.db2.gz QLTHEBOZZJDTIG-UHFFFAOYSA-N -1 0 393.285 2.945 20 30 GFEDRM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737083831 598392371 /nfs/dbraw/zinc/39/23/71/598392371.db2.gz WMGDRYRQXSDFJI-UHFFFAOYSA-N -1 0 386.372 2.515 20 30 GFEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000735939745 598580645 /nfs/dbraw/zinc/58/06/45/598580645.db2.gz RHVIQMAWJPMXNI-UHFFFAOYSA-N -1 0 381.375 2.749 20 30 GFEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)c1 ZINC000737729983 599560986 /nfs/dbraw/zinc/56/09/86/599560986.db2.gz BQXYNYFIWLPERL-UHFFFAOYSA-N -1 0 394.338 2.558 20 30 GFEDRM CC(=NOCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)c1cnn(C)c1 ZINC000736127237 599708197 /nfs/dbraw/zinc/70/81/97/599708197.db2.gz SXEMRZHPZIVIHB-SNVBAGLBSA-N -1 0 390.465 2.684 20 30 GFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c([N+](=O)[O-])c1 ZINC000739129632 599730281 /nfs/dbraw/zinc/73/02/81/599730281.db2.gz YSANXMNWEYSSAU-UHFFFAOYSA-N -1 0 382.737 2.586 20 30 GFEDRM O=C([O-])C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2cccc(F)c2F)NC(=S)N1 ZINC000739519037 599735536 /nfs/dbraw/zinc/73/55/36/599735536.db2.gz CNCHWZPNUXROSC-CQSZACIVSA-N -1 0 392.358 2.844 20 30 GFEDRM N#C[C@H](C(=O)CCSCC(=O)[O-])c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000739075012 599798439 /nfs/dbraw/zinc/79/84/39/599798439.db2.gz QBAWAOMHJDBRHY-SNVBAGLBSA-N -1 0 391.474 2.660 20 30 GFEDRM CN(C(=O)CN1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1C(=O)[O-] ZINC000737324367 599814022 /nfs/dbraw/zinc/81/40/22/599814022.db2.gz PWRKEKPQLVNYIS-UHFFFAOYSA-N -1 0 393.443 2.763 20 30 GFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1ccc2c(c1)CC(C)(C)O2 ZINC000736125648 599850525 /nfs/dbraw/zinc/85/05/25/599850525.db2.gz KGDGYVWHNDRKRC-KRWDZBQOSA-N -1 0 384.432 2.804 20 30 GFEDRM CC[C@@H](C)NC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1cc([O-])ccc1C ZINC000736885955 599854642 /nfs/dbraw/zinc/85/46/42/599854642.db2.gz GFNYVIHVSPABIC-SNVBAGLBSA-O -1 0 377.442 2.606 20 30 GFEDRM N#Cc1cccc(CS(=O)(=O)Oc2ccc(Br)cc2C(=O)[O-])c1 ZINC000739133464 599868338 /nfs/dbraw/zinc/86/83/38/599868338.db2.gz INDAYRPDZJUJNY-UHFFFAOYSA-N -1 0 396.218 2.928 20 30 GFEDRM O=C([O-])C(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(F)cc1F ZINC000739499434 599993656 /nfs/dbraw/zinc/99/36/56/599993656.db2.gz QQFGVUKPEBXXMI-OAHLLOKOSA-N -1 0 392.358 2.688 20 30 GFEDRM C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000736090617 600019519 /nfs/dbraw/zinc/01/95/19/600019519.db2.gz FBHUXUHZYSFVJA-UHFFFAOYSA-N -1 0 397.456 2.746 20 30 GFEDRM CCOc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)ccc1OCC(=O)[O-] ZINC000737179730 600056114 /nfs/dbraw/zinc/05/61/14/600056114.db2.gz RXLDFRVQTXWYNJ-AWEZNQCLSA-N -1 0 393.399 2.925 20 30 GFEDRM C#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC000736092066 600062430 /nfs/dbraw/zinc/06/24/30/600062430.db2.gz ABHMZRFJCSEPQL-OAHLLOKOSA-N -1 0 378.306 2.907 20 30 GFEDRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])S(=O)(=O)CCCCC#N ZINC000736723093 600083425 /nfs/dbraw/zinc/08/34/25/600083425.db2.gz ATDLMMZOPMYYGD-AWEZNQCLSA-N -1 0 391.449 2.960 20 30 GFEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000736127607 600091159 /nfs/dbraw/zinc/09/11/59/600091159.db2.gz WJZWPKRABDEHHG-SNVBAGLBSA-N -1 0 378.759 2.805 20 30 GFEDRM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736109415 600123430 /nfs/dbraw/zinc/12/34/30/600123430.db2.gz LQKWNBCRGQSSPS-UHFFFAOYSA-N -1 0 393.396 2.632 20 30 GFEDRM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)C(C)(C)C(=O)[O-])c1C#N ZINC000738252412 600136507 /nfs/dbraw/zinc/13/65/07/600136507.db2.gz BFPRSLDMQPKFCB-UHFFFAOYSA-N -1 0 386.427 2.838 20 30 GFEDRM CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737317798 600194750 /nfs/dbraw/zinc/19/47/50/600194750.db2.gz NGZWXCGIPPZDPY-NRFANRHFSA-N -1 0 393.443 2.998 20 30 GFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736108994 600226554 /nfs/dbraw/zinc/22/65/54/600226554.db2.gz ZRJXTFRCHGSZHU-UHFFFAOYSA-N -1 0 375.446 2.911 20 30 GFEDRM CN(Cc1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1)C(=O)[O-] ZINC000737479046 600305327 /nfs/dbraw/zinc/30/53/27/600305327.db2.gz SFXREUBWJQVSPR-UHFFFAOYSA-N -1 0 386.795 2.899 20 30 GFEDRM COc1ccc([C@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)C(=O)[O-])cc1 ZINC000737985554 600505260 /nfs/dbraw/zinc/50/52/60/600505260.db2.gz HKZDXCSYQJMXEO-GOSISDBHSA-N -1 0 380.400 2.889 20 30 GFEDRM CC1(C)C[C@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736726257 600520126 /nfs/dbraw/zinc/52/01/26/600520126.db2.gz GTWLCNFOQOYQNA-SFHVURJKSA-N -1 0 390.439 2.885 20 30 GFEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000738501344 600552230 /nfs/dbraw/zinc/55/22/30/600552230.db2.gz MAOHODJNBBMUEC-UHFFFAOYSA-N -1 0 385.445 2.966 20 30 GFEDRM CC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c(F)c1 ZINC000736192649 600561761 /nfs/dbraw/zinc/56/17/61/600561761.db2.gz LRGJVJVBYVENIL-FQEVSTJZSA-N -1 0 381.407 2.848 20 30 GFEDRM C#CCN(C(=O)CCCNC(=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000736077020 600564555 /nfs/dbraw/zinc/56/45/55/600564555.db2.gz LGOVCLMIYFPINU-AWEZNQCLSA-N -1 0 395.253 2.782 20 30 GFEDRM Cc1ccc(C(=O)N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1F ZINC000738507650 600565363 /nfs/dbraw/zinc/56/53/63/600565363.db2.gz JYNXORFQOWERIT-LJQANCHMSA-N -1 0 381.407 2.590 20 30 GFEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000739107315 600565847 /nfs/dbraw/zinc/56/58/47/600565847.db2.gz WIWYREPSVMIUJK-HXUWFJFHSA-N -1 0 397.862 2.724 20 30 GFEDRM CC(C)c1noc([C@H](C)N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1 ZINC000736537384 600569782 /nfs/dbraw/zinc/56/97/82/600569782.db2.gz GUFODBKTLJWGBS-YOEHRIQHSA-N -1 0 383.452 2.569 20 30 GFEDRM C[C@@H]1CN(c2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 ZINC000736827910 600610429 /nfs/dbraw/zinc/61/04/29/600610429.db2.gz VRHJZZGGUHWSNW-PJIJBLCYSA-N -1 0 395.415 2.550 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(=O)[O-])cc1 ZINC000739116077 600615294 /nfs/dbraw/zinc/61/52/94/600615294.db2.gz ZCOWASVGZJHOBU-GOSISDBHSA-N -1 0 379.328 2.790 20 30 GFEDRM C[C@@H](NC(=O)c1ccc(N[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704235 600730137 /nfs/dbraw/zinc/73/01/37/600730137.db2.gz WBEIMXXJEJNHNU-VXGBXAGGSA-N -1 0 382.376 2.842 20 30 GFEDRM Cc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1C(=O)[O-] ZINC000832942893 601063846 /nfs/dbraw/zinc/06/38/46/601063846.db2.gz UEKQRPOADNJWMS-UHFFFAOYSA-N -1 0 377.404 2.796 20 30 GFEDRM C=CCOc1ccc(C(=O)O[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000825699398 601098926 /nfs/dbraw/zinc/09/89/26/601098926.db2.gz ZGPYNMOQLMOKTK-HNNXBMFYSA-N -1 0 387.413 2.973 20 30 GFEDRM N#CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833069261 601186759 /nfs/dbraw/zinc/18/67/59/601186759.db2.gz PYLJWQSDWLPSMT-QWHCGFSZSA-N -1 0 376.434 2.675 20 30 GFEDRM N#Cc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(=O)c2ccco2)s1 ZINC000833072219 601203654 /nfs/dbraw/zinc/20/36/54/601203654.db2.gz LVESDEPTQYKKKL-HNNXBMFYSA-N -1 0 397.412 2.911 20 30 GFEDRM CCOc1ccc(OCC)c(NC(=S)NN=Cc2ccc(C(=O)[O-])[nH]2)c1 ZINC000749815277 601336897 /nfs/dbraw/zinc/33/68/97/601336897.db2.gz MPBKOOZKIPWTNZ-UHFFFAOYSA-N -1 0 376.438 2.831 20 30 GFEDRM Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2=O)c1C ZINC000832971405 601347047 /nfs/dbraw/zinc/34/70/47/601347047.db2.gz MOXHRLMJWGEBMU-FXAWDEMLSA-N -1 0 392.411 2.897 20 30 GFEDRM CC(C)Cn1ncc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cnc21 ZINC000826924858 601351034 /nfs/dbraw/zinc/35/10/34/601351034.db2.gz RZHSVNHUKHDQJY-KRWDZBQOSA-N -1 0 378.388 2.942 20 30 GFEDRM N#Cc1cccc([C@@H](OC(=O)[C@@H](O)c2ccc(Br)cc2)C(=O)[O-])c1 ZINC000833076340 601354249 /nfs/dbraw/zinc/35/42/49/601354249.db2.gz UIYSGEXKANRNDM-LSDHHAIUSA-N -1 0 390.189 2.723 20 30 GFEDRM C=CCn1c(-c2ccccc2F)nn(CN2CC[C@](F)(C(=O)[O-])C2)c1=S ZINC000825705412 601372164 /nfs/dbraw/zinc/37/21/64/601372164.db2.gz GPFSDSWJGGTQTK-QGZVFWFLSA-N -1 0 380.420 2.862 20 30 GFEDRM C[C@H](CN(CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1)C(=O)[O-] ZINC000827450074 601376488 /nfs/dbraw/zinc/37/64/88/601376488.db2.gz RHHRXLBPAJBNGD-MRXNPFEDSA-N -1 0 386.473 2.555 20 30 GFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1ccccc1 ZINC000826038300 601392072 /nfs/dbraw/zinc/39/20/72/601392072.db2.gz FQDIUGDTRNJVGO-UGSOOPFHSA-N -1 0 389.415 2.518 20 30 GFEDRM N#Cc1ccccc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000833076754 601408831 /nfs/dbraw/zinc/40/88/31/601408831.db2.gz OMIKNODDBKSZNY-QGZVFWFLSA-N -1 0 379.441 2.944 20 30 GFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833064181 601429972 /nfs/dbraw/zinc/42/99/72/601429972.db2.gz GDQRRXUABKKVPV-HMXCVIKNSA-N -1 0 380.444 2.896 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833065101 601478159 /nfs/dbraw/zinc/47/81/59/601478159.db2.gz RRUNBRMSTZJOPC-WMZOPIPTSA-N -1 0 395.390 2.761 20 30 GFEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827217274 601480051 /nfs/dbraw/zinc/48/00/51/601480051.db2.gz 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GFEDRM N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)o1 ZINC000739147622 601124404 /nfs/dbraw/zinc/12/44/04/601124404.db2.gz XSHHJHLAGKXKMT-SFHVURJKSA-N -1 0 377.356 2.681 20 30 GFEDRM CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000262504055 601332196 /nfs/dbraw/zinc/33/21/96/601332196.db2.gz ZISXHSHVFVHISD-NSHDSACASA-N -1 0 378.372 2.602 20 30 GFEDRM N#Cc1cccc([C@@H](OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C(=O)[O-])c1 ZINC000833075722 601350707 /nfs/dbraw/zinc/35/07/07/601350707.db2.gz NIZLLORGUUWONX-KBXCAEBGSA-N -1 0 398.802 2.934 20 30 GFEDRM CC1CCC(N2C[C@H](C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2=O)CC1 ZINC000828226518 601352393 /nfs/dbraw/zinc/35/23/93/601352393.db2.gz VBMJWZRSRNSIRR-PZCARAFOSA-N -1 0 384.432 2.654 20 30 GFEDRM Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832993113 601354086 /nfs/dbraw/zinc/35/40/86/601354086.db2.gz KNENJQJSTHLBKO-AWEZNQCLSA-N -1 0 382.401 2.706 20 30 GFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C(=O)[O-])c1 ZINC000833076882 601355817 /nfs/dbraw/zinc/35/58/17/601355817.db2.gz JDQOGKARFYIVRF-INIZCTEOSA-N -1 0 399.790 2.724 20 30 GFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000833063869 601385398 /nfs/dbraw/zinc/38/53/98/601385398.db2.gz BVNAMFKVHRRQED-WBVHZDCISA-N -1 0 388.420 2.984 20 30 GFEDRM CCc1oc(C(=O)[O-])cc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000830374900 601412389 /nfs/dbraw/zinc/41/23/89/601412389.db2.gz ISWDXTMOVFMSOO-UHFFFAOYSA-N -1 0 396.403 2.982 20 30 GFEDRM CCOc1cc(C#N)cc(Br)c1OCC(=O)OC/C=C(\C)C(=O)[O-] ZINC000830027216 601416393 /nfs/dbraw/zinc/41/63/93/601416393.db2.gz RNEXIAFXNTYQIZ-ONNFQVAWSA-N -1 0 398.209 2.672 20 30 GFEDRM Cc1c(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1C(=O)[O-] ZINC000832855104 601478135 /nfs/dbraw/zinc/47/81/35/601478135.db2.gz LZWRZSSNCTYQJB-HKUYNNGSSA-N -1 0 391.427 2.930 20 30 GFEDRM Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc(C)c1OCC(=O)[O-] ZINC000832858298 601499955 /nfs/dbraw/zinc/49/99/55/601499955.db2.gz AXDYYMHLZLXFEP-OAHLLOKOSA-N -1 0 382.420 2.575 20 30 GFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)nc21 ZINC000832859595 601500850 /nfs/dbraw/zinc/50/08/50/601500850.db2.gz UHBWGPOQRMPBRH-CQSZACIVSA-N -1 0 378.388 2.837 20 30 GFEDRM COC(=O)c1cc(NC(=O)N(CCC#N)Cc2ccccn2)cc(C(=O)[O-])c1 ZINC000831276234 601603671 /nfs/dbraw/zinc/60/36/71/601603671.db2.gz HVTFUZAMIBKYMN-UHFFFAOYSA-N -1 0 382.376 2.514 20 30 GFEDRM Cc1cc(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832867431 601680791 /nfs/dbraw/zinc/68/07/91/601680791.db2.gz DYZISIZWAYDFBC-UHFFFAOYSA-N -1 0 396.399 2.628 20 30 GFEDRM N#Cc1csc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000833078746 601683731 /nfs/dbraw/zinc/68/37/31/601683731.db2.gz PIAGKDSJGVFHSU-UHFFFAOYSA-N -1 0 376.415 2.664 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833065378 601862231 /nfs/dbraw/zinc/86/22/31/601862231.db2.gz ZYJKSZRHFGWGNA-FUHWJXTLSA-N -1 0 395.390 2.761 20 30 GFEDRM N#Cc1cc(S(=O)(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)ccc1Cl ZINC000740313538 601985850 /nfs/dbraw/zinc/98/58/50/601985850.db2.gz NSVKEAKJAGCFGU-UHFFFAOYSA-N -1 0 383.857 2.507 20 30 GFEDRM COc1cc(C#N)ccc1OCCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000739853742 602011970 /nfs/dbraw/zinc/01/19/70/602011970.db2.gz WMSOPGWQEBCACZ-HOCLYGCPSA-N -1 0 389.452 2.763 20 30 GFEDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000829973480 602080986 /nfs/dbraw/zinc/08/09/86/602080986.db2.gz YAZJDDKGDAMUKW-LJQANCHMSA-N -1 0 382.416 2.699 20 30 GFEDRM Cc1cc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccs2)cnc1Cl ZINC000832880665 602111054 /nfs/dbraw/zinc/11/10/54/602111054.db2.gz FPJVCYVZKUJQBK-LLVKDONJSA-N -1 0 393.877 2.845 20 30 GFEDRM CCC[C@](C)(NC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000739298414 602221621 /nfs/dbraw/zinc/22/16/21/602221621.db2.gz UZMGUMLYRQFQPK-YPMLDQLKSA-N -1 0 393.465 2.805 20 30 GFEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)[C@@H](C)CC(=O)[O-])c1C#N ZINC000832849644 602278117 /nfs/dbraw/zinc/27/81/17/602278117.db2.gz NKVUQFLLFDBDGI-NSHDSACASA-N -1 0 375.425 2.684 20 30 GFEDRM CCN(CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1)C(=O)[O-] ZINC000739439750 602312753 /nfs/dbraw/zinc/31/27/53/602312753.db2.gz SFRKZIQUYGVPPU-UHFFFAOYSA-N -1 0 383.452 2.810 20 30 GFEDRM N#Cc1cc(Br)ccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833068246 602320639 /nfs/dbraw/zinc/32/06/39/602320639.db2.gz SUVUHCCCGQTZLD-UHFFFAOYSA-N -1 0 382.191 2.787 20 30 GFEDRM O=C(C#Cc1ccc2c(c1)OCO2)NCc1c2ccccc2sc1C(=O)[O-] ZINC000833092168 602352917 /nfs/dbraw/zinc/35/29/17/602352917.db2.gz QXORSZMZGLOCQH-UHFFFAOYSA-N -1 0 379.393 2.996 20 30 GFEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738619471 602399698 /nfs/dbraw/zinc/39/96/98/602399698.db2.gz XLYXGKKHJYJIPH-HOTGVXAUSA-N -1 0 390.459 2.783 20 30 GFEDRM C[C@](CNC(=O)[O-])(NC(=O)c1ccc(COc2ccccc2C#N)o1)C1CC1 ZINC000738928161 602440205 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393.443 2.807 20 30 GFEDRM CN(C[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1)C(=O)[O-] ZINC000739659536 602539881 /nfs/dbraw/zinc/53/98/81/602539881.db2.gz DJYWRTZLVXBSRS-ZDUSSCGKSA-N -1 0 390.509 2.759 20 30 GFEDRM N#CCn1c(C(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)cc2ccccc21 ZINC000740309760 602565617 /nfs/dbraw/zinc/56/56/17/602565617.db2.gz ANSKYSCMPJTQEB-UHFFFAOYSA-N -1 0 381.417 2.910 20 30 GFEDRM N#Cc1ccc(CNC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)c(F)c1 ZINC000740312248 602666813 /nfs/dbraw/zinc/66/68/13/602666813.db2.gz DJDDZTVUCLHRTP-UHFFFAOYSA-N -1 0 396.422 2.938 20 30 GFEDRM N#Cc1cccc(OCCOC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000740322360 602710699 /nfs/dbraw/zinc/71/06/99/602710699.db2.gz ANAPOBJGDZCBAM-UHFFFAOYSA-N -1 0 383.404 2.910 20 30 GFEDRM C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H](C)N1C(=O)[O-] ZINC000739171117 602765750 /nfs/dbraw/zinc/76/57/50/602765750.db2.gz GQKNTEPPGKFPAM-ZIAGYGMSSA-N -1 0 383.404 2.943 20 30 GFEDRM N#C[C@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000740303611 602845829 /nfs/dbraw/zinc/84/58/29/602845829.db2.gz LOFWVWSIWDGGMC-AWEZNQCLSA-N -1 0 380.242 2.910 20 30 GFEDRM C[C@@H](OC(=O)CCC(C)(C)NC(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000739093271 602894873 /nfs/dbraw/zinc/89/48/73/602894873.db2.gz XCSHJZBTYREYDG-SHYRYGCCSA-N -1 0 381.473 2.675 20 30 GFEDRM N#CCCn1cc(C(=O)COC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])c2ccccc21 ZINC000740308170 603127896 /nfs/dbraw/zinc/12/78/96/603127896.db2.gz FRQWICMFJRERSJ-GOEBONIOSA-N -1 0 383.404 2.717 20 30 GFEDRM N#C[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc(Br)cc1 ZINC000740304445 603237717 /nfs/dbraw/zinc/23/77/17/603237717.db2.gz VNQZKYPWPZZMOK-YUTCNCBUSA-N -1 0 380.242 2.956 20 30 GFEDRM N#C[C@H](NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccccc1Br ZINC000740302639 603267403 /nfs/dbraw/zinc/26/74/03/603267403.db2.gz CPQPCXZPRHFOHH-GYSYKLTISA-N -1 0 380.242 2.956 20 30 GFEDRM N#C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(OCc2ccccc2)cc1 ZINC000740304285 603299186 /nfs/dbraw/zinc/29/91/86/603299186.db2.gz RXCUEOPMHBLFRL-IEBWSBKVSA-N -1 0 379.416 2.946 20 30 GFEDRM C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[C@@H]1NC(=O)[O-] ZINC000739166273 603359300 /nfs/dbraw/zinc/35/93/00/603359300.db2.gz LKRJHZMCIVYNNS-DYVFJYSZSA-N -1 0 383.404 2.848 20 30 GFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738892585 603411998 /nfs/dbraw/zinc/41/19/98/603411998.db2.gz IXEZGDTUTOYKMY-RRFJBIMHSA-N -1 0 390.509 2.997 20 30 GFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823647075 603533226 /nfs/dbraw/zinc/53/32/26/603533226.db2.gz IQWWCRNETVPVAS-UONOGXRCSA-N -1 0 376.482 2.561 20 30 GFEDRM Cc1nc2cc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)ccc2n1-c1ccccc1 ZINC000830785810 603601770 /nfs/dbraw/zinc/60/17/70/603601770.db2.gz VIVGBZHLJXQUMO-KRWDZBQOSA-N -1 0 389.415 2.662 20 30 GFEDRM CCN(CC1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000827055498 603749444 /nfs/dbraw/zinc/74/94/44/603749444.db2.gz QXWCICZVQMBQHA-LJQANCHMSA-N -1 0 384.480 2.766 20 30 GFEDRM C[C@@H](OC(=O)C1(NC(=O)[O-])CCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000825550852 603796057 /nfs/dbraw/zinc/79/60/57/603796057.db2.gz DXNWCTKSJAIPQQ-OAHLLOKOSA-N -1 0 387.436 2.835 20 30 GFEDRM C[C@@H](OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C(=O)Nc1ccccc1C#N ZINC000825580665 603802217 /nfs/dbraw/zinc/80/22/17/603802217.db2.gz VOQNEJMVJJQZHU-WPXLMEDKSA-N -1 0 385.420 2.740 20 30 GFEDRM C[C@@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000825578306 603950458 /nfs/dbraw/zinc/95/04/58/603950458.db2.gz ADUNHRFVDGPWFA-GHMZBOCLSA-N -1 0 391.449 2.511 20 30 GFEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C2SCCCS2)cc1 ZINC000831086411 604074946 /nfs/dbraw/zinc/07/49/46/604074946.db2.gz DRNUZNZJQSBANW-AWEZNQCLSA-N -1 0 377.491 2.883 20 30 GFEDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000825408048 604115670 /nfs/dbraw/zinc/11/56/70/604115670.db2.gz GSYWRQZIVNNVHH-STQMWFEESA-N -1 0 380.404 2.703 20 30 GFEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823500844 604184725 /nfs/dbraw/zinc/18/47/25/604184725.db2.gz MKBRALWTTCSUQM-GDBMZVCRSA-N -1 0 376.413 2.729 20 30 GFEDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000825264446 604187945 /nfs/dbraw/zinc/18/79/45/604187945.db2.gz KHTUOBKRQOZVOA-ZIAGYGMSSA-N -1 0 376.482 2.609 20 30 GFEDRM C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccc(C#N)c1 ZINC000825065821 604205929 /nfs/dbraw/zinc/20/59/29/604205929.db2.gz KKPCFWURBXWEEB-ZDUSSCGKSA-N -1 0 392.415 2.805 20 30 GFEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000829442951 604221841 /nfs/dbraw/zinc/22/18/41/604221841.db2.gz ULGZTCMLRHFSDL-DMDPSCGWSA-N -1 0 393.827 2.822 20 30 GFEDRM N#CC(C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000831066087 604226161 /nfs/dbraw/zinc/22/61/61/604226161.db2.gz VCKHSPMAEVJLBJ-NWDGAFQWSA-N -1 0 392.362 2.767 20 30 GFEDRM COC(=O)c1c(NC(=O)c2ccc(C#N)s2)sc2c1CCN(C(=O)[O-])C2 ZINC000828740329 604243688 /nfs/dbraw/zinc/24/36/88/604243688.db2.gz RVMOJZFUNBKCSC-UHFFFAOYSA-N -1 0 391.430 2.756 20 30 GFEDRM C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H](NC(=O)[O-])C2)c1=S ZINC000738504222 604293104 /nfs/dbraw/zinc/29/31/04/604293104.db2.gz YKOQKUDFXFIMON-CQSZACIVSA-N -1 0 377.445 2.706 20 30 GFEDRM C=C(C)Cn1c(SCC(=O)N2CC[C@](C)(C(=O)[O-])C2)nnc1-c1ccco1 ZINC000825647405 604312167 /nfs/dbraw/zinc/31/21/67/604312167.db2.gz MKTWRJHYJIWPND-SFHVURJKSA-N -1 0 390.465 2.530 20 30 GFEDRM N#Cc1ccc(C(=O)N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)s1 ZINC000833071045 604345138 /nfs/dbraw/zinc/34/51/38/604345138.db2.gz UZNPZTXFCGGTNY-MRXNPFEDSA-N -1 0 389.864 2.857 20 30 GFEDRM CCOC(=O)c1csc(C(C#N)C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000827355246 604414642 /nfs/dbraw/zinc/41/46/42/604414642.db2.gz GFHVMLQGIRTNJD-RWMBFGLXSA-N -1 0 393.465 2.912 20 30 GFEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CN(C(=O)[O-])C1 ZINC000830128931 604453257 /nfs/dbraw/zinc/45/32/57/604453257.db2.gz JYNXAVSFPNUESM-UHFFFAOYSA-N -1 0 380.404 2.929 20 30 GFEDRM COc1cc(OC)cc([C@H](OC(=O)[C@H](C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832065207 604553866 /nfs/dbraw/zinc/55/38/66/604553866.db2.gz IEVLLIFZSZNSPS-SGTLLEGYSA-N -1 0 385.372 2.712 20 30 GFEDRM C[C@]1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCCN1C(=O)c1ccccc1 ZINC000833554854 604583061 /nfs/dbraw/zinc/58/30/61/604583061.db2.gz MRVHHYZNRPQZNK-JOCHJYFZSA-N -1 0 392.411 2.995 20 30 GFEDRM C#Cc1cccc(NC(=O)CN(C)Cc2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000833368114 604591306 /nfs/dbraw/zinc/59/13/06/604591306.db2.gz HFHXXOCSPBTPBX-UHFFFAOYSA-N -1 0 380.444 2.819 20 30 GFEDRM O=C([O-])C1=C(C(=O)c2ccncc2)[C@@H](c2ccc(F)cc2Cl)NC(=S)N1 ZINC000833176732 604667219 /nfs/dbraw/zinc/66/72/19/604667219.db2.gz HMISJCXLXXQJDW-CYBMUJFWSA-N -1 0 391.811 2.615 20 30 GFEDRM C[C@@H](OC(=O)c1ccc(C#Cc2ccccc2)cc1)c1cn(CC(=O)[O-])nn1 ZINC000827851185 604703463 /nfs/dbraw/zinc/70/34/63/604703463.db2.gz BUXYNLUIPVFFRF-OAHLLOKOSA-N -1 0 375.384 2.681 20 30 GFEDRM COCCOc1ccccc1N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000831783951 604790813 /nfs/dbraw/zinc/79/08/13/604790813.db2.gz QIGSOKHWYJOURD-OAQYLSRUSA-N -1 0 395.459 2.531 20 30 GFEDRM C[C@@H](CC(=O)N1CCN(c2ccccc2C#N)CC1)C1CCN(C(=O)[O-])CC1 ZINC000824600064 604803985 /nfs/dbraw/zinc/80/39/85/604803985.db2.gz VCIRPWLHQBWTFP-INIZCTEOSA-N -1 0 384.480 2.623 20 30 GFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cnccc1C(=O)[O-] ZINC000825966473 604876499 /nfs/dbraw/zinc/87/64/99/604876499.db2.gz DOCRMUCZMLMBDP-GFCCVEGCSA-N -1 0 399.428 2.827 20 30 GFEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3nc(C4CC4)c(C(=O)[O-])s3)cc2C1=O ZINC000833377272 604878863 /nfs/dbraw/zinc/87/88/63/604878863.db2.gz UHRZSVAPKQERCH-UHFFFAOYSA-N -1 0 397.412 2.753 20 30 GFEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000833375808 604913025 /nfs/dbraw/zinc/91/30/25/604913025.db2.gz GRJWYBHJZXZIFX-UHFFFAOYSA-N -1 0 398.462 2.548 20 30 GFEDRM Cc1ccc(C#N)cc1NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000833747195 604928336 /nfs/dbraw/zinc/92/83/36/604928336.db2.gz CUJFIGXVFHNVSF-KRWDZBQOSA-N -1 0 395.415 2.965 20 30 GFEDRM C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833379997 605022800 /nfs/dbraw/zinc/02/28/00/605022800.db2.gz SSKSJUYTGOCQJJ-UHFFFAOYSA-N -1 0 382.415 2.764 20 30 GFEDRM C=CCOc1cccnc1C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000833378343 605084509 /nfs/dbraw/zinc/08/45/09/605084509.db2.gz DXFAKSUODIFSRP-OAHLLOKOSA-N -1 0 381.432 2.696 20 30 GFEDRM N#Cc1cccc(Cl)c1N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833976312 605404640 /nfs/dbraw/zinc/40/46/40/605404640.db2.gz LQVFGQAOSVAOPK-CJNGLKHVSA-N -1 0 390.871 2.687 20 30 GFEDRM N#C[C@H](C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961809 605488493 /nfs/dbraw/zinc/48/84/93/605488493.db2.gz VFHNLPJZSCCCLM-CMPLNLGQSA-N -1 0 381.791 2.907 20 30 GFEDRM N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CCN(C(=O)[O-])C3)c2)c1 ZINC000833976700 605525193 /nfs/dbraw/zinc/52/51/93/605525193.db2.gz QITMVHDXUZGRES-KRWDZBQOSA-N -1 0 379.416 2.867 20 30 GFEDRM C[C@H](OC(=O)C[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000825572680 605554772 /nfs/dbraw/zinc/55/47/72/605554772.db2.gz WKHKTEWQBKNUEZ-HOCLYGCPSA-N -1 0 387.436 2.660 20 30 GFEDRM N#Cc1ccc(N2CCC(OCCCNC(=O)[O-])CC2)c(Br)c1 ZINC000833973369 605624534 /nfs/dbraw/zinc/62/45/34/605624534.db2.gz KEKGROKZXFUENY-UHFFFAOYSA-N -1 0 382.258 2.964 20 30 GFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])n2)c1 ZINC000833976926 605656567 /nfs/dbraw/zinc/65/65/67/605656567.db2.gz MAZYPFTXYMIZBZ-NXHRZFHOSA-N -1 0 393.447 2.876 20 30 GFEDRM N#Cc1cccc([C@H]2CN(C(=O)C[C@H](Cc3ccccc3)NC(=O)[O-])CCO2)c1 ZINC000833978850 605715555 /nfs/dbraw/zinc/71/55/55/605715555.db2.gz YZPYCDVNHMWSFP-VQTJNVASSA-N -1 0 393.443 2.727 20 30 GFEDRM N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])CCO2)c1 ZINC000833978886 605718500 /nfs/dbraw/zinc/71/85/00/605718500.db2.gz ZYPYRYNGKUODTA-WNHJNPCNSA-N -1 0 383.448 2.769 20 30 GFEDRM C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](C)CN1C(=O)[O-] ZINC000833836735 605779093 /nfs/dbraw/zinc/77/90/93/605779093.db2.gz OTVHCSSEVGDGTJ-UONOGXRCSA-N -1 0 383.404 2.943 20 30 GFEDRM C[C@]1(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CCCCN1C(=O)[O-] ZINC000833821838 605867629 /nfs/dbraw/zinc/86/76/29/605867629.db2.gz JWBMNDLOMWBGHK-QGZVFWFLSA-N -1 0 379.800 2.616 20 30 GFEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)[O-])n1 ZINC000833969307 605882818 /nfs/dbraw/zinc/88/28/18/605882818.db2.gz BMXPCBNKYLFGJV-GFCCVEGCSA-N -1 0 386.387 2.537 20 30 GFEDRM N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC34CCN(C(=O)[O-])CC4)CC2)cc1 ZINC000833977856 605919976 /nfs/dbraw/zinc/91/99/76/605919976.db2.gz SPUSEZZMBWJLIG-SFHVURJKSA-N -1 0 383.448 2.708 20 30 GFEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000819782471 606034003 /nfs/dbraw/zinc/03/40/03/606034003.db2.gz MHKQJUFJZXKXNG-MHZLTWQESA-N -1 0 387.469 2.726 20 30 GFEDRM COc1cc(C=CC(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1OCCC(=O)[O-] ZINC000826178923 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564559548 /nfs/dbraw/zinc/55/95/48/564559548.db2.gz GJHFAAXKMIPICS-INIZCTEOSA-N -1 0 378.837 2.933 20 30 GFEDRM CCCCC[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)cc1F ZINC000548568652 564561422 /nfs/dbraw/zinc/56/14/22/564561422.db2.gz VRKLKEQIGJASPJ-ZFWWWQNUSA-N -1 0 386.470 2.794 20 30 GFEDRM N#CC1(CS(=O)(=O)N[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000548588504 564564690 /nfs/dbraw/zinc/56/46/90/564564690.db2.gz OIUDPLJBEKAEJM-GFCCVEGCSA-N -1 0 377.249 2.732 20 30 GFEDRM C[C@@H](CC(C)(C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000548620417 564567314 /nfs/dbraw/zinc/56/73/14/564567314.db2.gz JSYNITFAUXTKPY-VIFPVBQESA-N -1 0 378.372 2.745 20 30 GFEDRM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000519628368 564584123 /nfs/dbraw/zinc/58/41/23/564584123.db2.gz ZNNLYSVSILSAQJ-OCCSQVGLSA-N -1 0 384.885 2.918 20 30 GFEDRM CCCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000519671360 564586185 /nfs/dbraw/zinc/58/61/85/564586185.db2.gz 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COc1cc(S(=O)(=O)[N-]c2cc(CC#N)ccn2)ccc1Br ZINC000531907364 564924132 /nfs/dbraw/zinc/92/41/32/564924132.db2.gz GVMANLCLKAUDMO-UHFFFAOYSA-N -1 0 382.239 2.720 20 30 GFEDRM Cc1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCOCC2)sc1Cl ZINC000562353609 565025928 /nfs/dbraw/zinc/02/59/28/565025928.db2.gz OZRWHKFWZGKFIZ-UHFFFAOYSA-N -1 0 386.886 2.930 20 30 GFEDRM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000588839288 565141156 /nfs/dbraw/zinc/14/11/56/565141156.db2.gz JLFGEFJKAVZNBZ-UHFFFAOYSA-N -1 0 379.825 2.979 20 30 GFEDRM Cc1cc(CC(C)(C)NC(=O)N=c2[n-]n(C)cc2C#N)ccc1Br ZINC000590121327 565179021 /nfs/dbraw/zinc/17/90/21/565179021.db2.gz DPSFQOHURLCSJM-UHFFFAOYSA-N -1 0 390.285 2.927 20 30 GFEDRM CC[C@@H](Cc1ccccc1Br)C(=O)N=c1[n-]n(C)c(C)c1C#N ZINC000592655923 565287334 /nfs/dbraw/zinc/28/73/34/565287334.db2.gz ZFLFTVSIMPESQF-LBPRGKRZSA-N -1 0 375.270 2.992 20 30 GFEDRM C[C@@]1(C(F)F)CN(C(=O)N=c2[n-]nc(C(F)(F)C(F)(F)F)s2)CCO1 ZINC000640387220 565306970 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HETXMPVJHNADIT-GFCCVEGCSA-N -1 0 377.249 2.732 20 30 GFEDRM Cn1nncc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1SCCC#N ZINC000600649288 565740971 /nfs/dbraw/zinc/74/09/71/565740971.db2.gz VCMKSYOZRQHZGB-UHFFFAOYSA-N -1 0 391.400 2.640 20 30 GFEDRM CCc1cc(S(=O)(=O)[N-]c2nc3n(c2C#N)CCS3)c(C)cc1OC ZINC000601958392 565809995 /nfs/dbraw/zinc/80/99/95/565809995.db2.gz AYVIUTZESORXDP-UHFFFAOYSA-N -1 0 378.479 2.541 20 30 GFEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000650421526 565820236 /nfs/dbraw/zinc/82/02/36/565820236.db2.gz MAOAJMIMHKPVHG-LLVKDONJSA-N -1 0 396.690 2.941 20 30 GFEDRM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)c(Br)cc1C ZINC000629305334 565840386 /nfs/dbraw/zinc/84/03/86/565840386.db2.gz ZIAKPOIURMBWJH-VIFPVBQESA-N -1 0 380.235 2.594 20 30 GFEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1C#N ZINC000604176315 565924518 /nfs/dbraw/zinc/92/45/18/565924518.db2.gz AOTBNZVXYNPCPQ-JTQLQIEISA-N -1 0 375.372 2.564 20 30 GFEDRM C=C[C@@H]1OCC[C@H]1NC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 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ZINC000739119278 600615095 /nfs/dbraw/zinc/61/50/95/600615095.db2.gz YACNELRBLOPYBH-KRWDZBQOSA-N -1 0 392.327 2.635 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)C[C@H](c2ccccc2)N2CCOC2=O)C(=O)[O-])cc1 ZINC000739110910 600616810 /nfs/dbraw/zinc/61/68/10/600616810.db2.gz SEWCQKXZIKPYGA-IEBWSBKVSA-N -1 0 394.383 2.811 20 30 GFEDRM N#Cc1ccc(OCc2ccc(C(=O)N3CCSC[C@H]3CC(=O)[O-])o2)cc1 ZINC000739128782 600668640 /nfs/dbraw/zinc/66/86/40/600668640.db2.gz KJCLIVAGHKZCSB-CQSZACIVSA-N -1 0 386.429 2.763 20 30 GFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000832876898 600675943 /nfs/dbraw/zinc/67/59/43/600675943.db2.gz QDKDPLQQXAHNRN-WBVHZDCISA-N -1 0 389.452 2.774 20 30 GFEDRM Cc1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738325832 600699479 /nfs/dbraw/zinc/69/94/79/600699479.db2.gz CDPVQJSVXGAPFS-QGZVFWFLSA-N -1 0 383.473 2.998 20 30 GFEDRM C[C@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)c1)C(=O)[O-] ZINC000820536120 607459703 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376.210 2.605 20 30 GFEDRM COC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000831568007 601293817 /nfs/dbraw/zinc/29/38/17/601293817.db2.gz SJCRLAVOFGFSMT-NRFANRHFSA-N -1 0 382.416 2.747 20 30 GFEDRM Cc1cccc(NC(=O)N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832971342 601314187 /nfs/dbraw/zinc/31/41/87/601314187.db2.gz WVUITCKCZSPQDR-IBGZPJMESA-N -1 0 378.432 2.842 20 30 GFEDRM CCc1ccc(N2C[C@@H](C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2=O)cc1 ZINC000830249801 601344895 /nfs/dbraw/zinc/34/48/95/601344895.db2.gz PBQCMTYWQRPYEW-FXAWDEMLSA-N -1 0 392.411 2.843 20 30 GFEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C(=O)[O-])c1 ZINC000833076328 601346892 /nfs/dbraw/zinc/34/68/92/601346892.db2.gz UGIFWCQUPVLZIW-KSSFIOAISA-N -1 0 398.802 2.934 20 30 GFEDRM N#Cc1cccc([C@@H](OC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000833077233 601348705 /nfs/dbraw/zinc/34/87/05/601348705.db2.gz NOVGGIQIMHGSLG-QGZVFWFLSA-N -1 0 392.327 2.635 20 30 GFEDRM CCCc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)[nH]c(C)c1C(=O)OC ZINC000829562470 601349946 /nfs/dbraw/zinc/34/99/46/601349946.db2.gz GISVVVMFHNBFSR-KRWDZBQOSA-N -1 0 384.388 2.917 20 30 GFEDRM CCCc1c(C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)[nH]c(C)c1C(=O)[O-] ZINC000829562447 601350084 /nfs/dbraw/zinc/35/00/84/601350084.db2.gz FNMORJPZOSJUMV-QGZVFWFLSA-N -1 0 384.388 2.917 20 30 GFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccn(Cc3ccccc3)c2=O)C(=O)[O-])c1 ZINC000833076987 601351535 /nfs/dbraw/zinc/35/15/35/601351535.db2.gz KFKONBLBDWJFMR-LJQANCHMSA-N -1 0 388.379 2.751 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833064852 601385462 /nfs/dbraw/zinc/38/54/62/601385462.db2.gz NYTBBILUBWTWHB-RBUKOAKNSA-N -1 0 384.457 2.986 20 30 GFEDRM CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000829684269 601445272 /nfs/dbraw/zinc/44/52/72/601445272.db2.gz VAZRHURDHFEVTI-WQLSENKSSA-N -1 0 376.434 2.640 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000422591586 601477877 /nfs/dbraw/zinc/47/78/77/601477877.db2.gz MXVLBEYUFQBRCS-PKOBYXMFSA-N -1 0 391.427 2.551 20 30 GFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833015861 601479697 /nfs/dbraw/zinc/47/96/97/601479697.db2.gz NCLAFQMIOMHUHG-HXUWFJFHSA-N -1 0 380.448 2.557 20 30 GFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000825967328 601480802 /nfs/dbraw/zinc/48/08/02/601480802.db2.gz TYTUTFZMIQSATB-CYBMUJFWSA-N -1 0 389.477 2.638 20 30 GFEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000825682098 601573994 /nfs/dbraw/zinc/57/39/94/601573994.db2.gz ODWLIYSTPYYOPX-UHFFFAOYSA-N -1 0 391.836 2.682 20 30 GFEDRM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833004769 601911110 /nfs/dbraw/zinc/91/11/10/601911110.db2.gz GDLCBHRKRINOPP-MSOLQXFVSA-N -1 0 397.479 2.690 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)cc1Cl ZINC000740321953 601986008 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393.443 2.807 20 30 GFEDRM N#Cc1ccc(CN2CCCN(C(=O)[C@H](NC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000740312105 602358720 /nfs/dbraw/zinc/35/87/20/602358720.db2.gz BGLJMUOMJYEIAF-HXUWFJFHSA-N -1 0 392.459 2.601 20 30 GFEDRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000833233173 602390985 /nfs/dbraw/zinc/39/09/85/602390985.db2.gz FLEDHIHYEXCIIH-UHFFFAOYSA-N -1 0 387.338 2.549 20 30 GFEDRM C#Cc1cccc(NC(=O)CN(C)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000738466799 602460890 /nfs/dbraw/zinc/46/08/90/602460890.db2.gz HZFAVFZWFMGRJN-LJQANCHMSA-N -1 0 393.443 2.854 20 30 GFEDRM C[C@](CNC(=O)[O-])(NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1 ZINC000738925249 602504859 /nfs/dbraw/zinc/50/48/59/602504859.db2.gz OGSULJAWWMLOMF-HXUWFJFHSA-N -1 0 380.404 2.912 20 30 GFEDRM O=C([O-])N1CCC(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000740414866 602607074 /nfs/dbraw/zinc/60/70/74/602607074.db2.gz FWDDFRSOSPBSSL-UHFFFAOYSA-N -1 0 378.432 2.993 20 30 GFEDRM N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])CC2)c1 ZINC000740322485 602624845 /nfs/dbraw/zinc/62/48/45/602624845.db2.gz DLFLBFJERYQBIN-INIZCTEOSA-N -1 0 386.452 2.644 20 30 GFEDRM C=CCn1c(-c2cccnc2)nn(CN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c1=S ZINC000738503395 602811649 /nfs/dbraw/zinc/81/16/49/602811649.db2.gz QBZYMTQSBWEGEF-OKILXGFUSA-N -1 0 388.497 2.692 20 30 GFEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCN(C(=O)[O-])CC1 ZINC000738636382 602822281 /nfs/dbraw/zinc/82/22/81/602822281.db2.gz FECAKAVVDMMYQM-CYBMUJFWSA-N -1 0 390.509 2.901 20 30 GFEDRM N#C[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000740303612 602845817 /nfs/dbraw/zinc/84/58/17/602845817.db2.gz LOFWVWSIWDGGMC-CQSZACIVSA-N -1 0 380.242 2.910 20 30 GFEDRM C=CCn1c(Cc2ccccc2)nn(CN2CCN(C(=O)[O-])C[C@H]2C)c1=S ZINC000738503605 602862059 /nfs/dbraw/zinc/86/20/59/602862059.db2.gz UPQVNEKYEZRRJH-OAHLLOKOSA-N -1 0 387.509 2.832 20 30 GFEDRM N#Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)[O-])cc2O)cc1Cl ZINC000740316543 602884215 /nfs/dbraw/zinc/88/42/15/602884215.db2.gz 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C[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC000736580974 600582095 /nfs/dbraw/zinc/58/20/95/600582095.db2.gz GMQIAOQZLVUVLL-ZDUSSCGKSA-N -1 0 376.409 2.609 20 30 GFEDRM N#Cc1ccc([C@H](OC(=O)CCCn2c(=O)oc3ccccc32)C(=O)[O-])cc1 ZINC000739111000 600610017 /nfs/dbraw/zinc/61/00/17/600610017.db2.gz UHYMDEJFMHIEOW-SFHVURJKSA-N -1 0 380.356 2.615 20 30 GFEDRM Cc1nn(C)c2nc(C)c(CC(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)c(C)c12 ZINC000738873011 600612163 /nfs/dbraw/zinc/61/21/63/600612163.db2.gz YNUYLKBXDFNZBD-IBGZPJMESA-N -1 0 392.415 2.677 20 30 GFEDRM Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738839282 600613048 /nfs/dbraw/zinc/61/30/48/600613048.db2.gz DJLFLXPTOXHERY-CYBMUJFWSA-N -1 0 380.385 2.763 20 30 GFEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736114115 600646245 /nfs/dbraw/zinc/64/62/45/600646245.db2.gz HBAKGIWSFPJHGO-UHFFFAOYSA-N -1 0 377.374 2.718 20 30 GFEDRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000736232909 600685016 /nfs/dbraw/zinc/68/50/16/600685016.db2.gz RSMHXINHYUAXBH-QGZVFWFLSA-N -1 0 377.400 2.664 20 30 GFEDRM N#Cc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1 ZINC000739128369 600686070 /nfs/dbraw/zinc/68/60/70/600686070.db2.gz AJGQDBKTZFDTOM-UHFFFAOYSA-N -1 0 382.191 2.787 20 30 GFEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(NC(C)=O)c1OC ZINC000831949781 600710403 /nfs/dbraw/zinc/71/04/03/600710403.db2.gz FJQPJZPJZDSVHA-QGZVFWFLSA-N -1 0 398.371 2.517 20 30 GFEDRM C=CCc1cc(CNS(=O)(=O)c2csc(C(=O)[O-])c2)cc(OC)c1OC ZINC000825705263 600730716 /nfs/dbraw/zinc/73/07/16/600730716.db2.gz AEDDSCNJWKJBBB-UHFFFAOYSA-N -1 0 397.474 2.671 20 30 GFEDRM N#Cc1ccc([C@@H](NCc2nnc3n2CCC[C@@H]3C(F)(F)F)C(=O)[O-])cc1 ZINC000833071667 600759530 /nfs/dbraw/zinc/75/95/30/600759530.db2.gz IDYSZLTYFAMNCK-GXTWGEPZSA-N -1 0 379.342 2.505 20 30 GFEDRM CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000262438823 600765577 /nfs/dbraw/zinc/76/55/77/600765577.db2.gz 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601478155 /nfs/dbraw/zinc/47/81/55/601478155.db2.gz RRUNBRMSTZJOPC-FUHWJXTLSA-N -1 0 395.390 2.761 20 30 GFEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000832913905 601478169 /nfs/dbraw/zinc/47/81/69/601478169.db2.gz NOWJLVAYQJMAEY-HKUYNNGSSA-N -1 0 391.427 2.930 20 30 GFEDRM C#CCOc1ccccc1CNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000825632058 601492126 /nfs/dbraw/zinc/49/21/26/601492126.db2.gz RLQLUEHVGVCPMG-UHFFFAOYSA-N -1 0 398.440 2.591 20 30 GFEDRM N#Cc1ccc(NC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)cc1C(F)(F)F ZINC000595240440 601495696 /nfs/dbraw/zinc/49/56/96/601495696.db2.gz FCDBCPSSNVGCKP-UHFFFAOYSA-N -1 0 397.353 2.619 20 30 GFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000832843432 601587411 /nfs/dbraw/zinc/58/74/11/601587411.db2.gz WWMHWILIIJWNJV-QGZVFWFLSA-N -1 0 387.823 2.804 20 30 GFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC000832908646 601654909 /nfs/dbraw/zinc/65/49/09/601654909.db2.gz 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C=CC[C@H](C)NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000825659744 602129079 /nfs/dbraw/zinc/12/90/79/602129079.db2.gz CPOOFRJASXOWFL-AWEZNQCLSA-N -1 0 382.416 2.983 20 30 GFEDRM C=CCc1cc(CNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc(OC)c1OC ZINC000738503022 602149289 /nfs/dbraw/zinc/14/92/89/602149289.db2.gz LKJAIBYXRLFKSB-AWEZNQCLSA-N -1 0 391.468 2.622 20 30 GFEDRM C=CCn1c(-c2ccccn2)nn(CN2CCSC[C@H]2CC(=O)[O-])c1=S ZINC000825705921 602195073 /nfs/dbraw/zinc/19/50/73/602195073.db2.gz VSFFQRVQOOPXPS-CYBMUJFWSA-N -1 0 391.522 2.512 20 30 GFEDRM C=CCn1c(-c2cccc(OC)c2)nn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825705433 602197663 /nfs/dbraw/zinc/19/76/63/602197663.db2.gz HDDGCAURFGNOHT-XJKSGUPXSA-N -1 0 388.493 2.886 20 30 GFEDRM N#C[C@@H]1CN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCN1C1CC1 ZINC000833063217 602226355 /nfs/dbraw/zinc/22/63/55/602226355.db2.gz UMBVQUVNRZTHOY-OAHLLOKOSA-N -1 0 394.431 2.507 20 30 GFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000740316594 602267008 /nfs/dbraw/zinc/26/70/08/602267008.db2.gz MXEZEFAMJJWOMX-YSIASYRMSA-N -1 0 396.491 2.908 20 30 GFEDRM CN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000830894919 602305725 /nfs/dbraw/zinc/30/57/25/602305725.db2.gz PNROPEJNJVXQOF-UHFFFAOYSA-N -1 0 391.352 2.557 20 30 GFEDRM CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000829808946 602308039 /nfs/dbraw/zinc/30/80/39/602308039.db2.gz JLTWXZQNJGSGBV-UHFFFAOYSA-N -1 0 389.433 2.644 20 30 GFEDRM C#Cc1ccc(C(=O)Nc2cccc(C(=O)OC3CCN(C(=O)[O-])CC3)c2)nc1 ZINC000738468039 602336104 /nfs/dbraw/zinc/33/61/04/602336104.db2.gz QZHFSQHFXVIOSK-UHFFFAOYSA-N -1 0 393.399 2.614 20 30 GFEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCCN3C(=O)[O-])cc2)cn1 ZINC000738467982 602336213 /nfs/dbraw/zinc/33/62/13/602336213.db2.gz QPTVFTTVXGQIIF-SFHVURJKSA-N -1 0 393.399 2.614 20 30 GFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000740067859 602387534 /nfs/dbraw/zinc/38/75/34/602387534.db2.gz 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C[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCN1C(=O)[O-] ZINC000739168376 602924654 /nfs/dbraw/zinc/92/46/54/602924654.db2.gz OJUOBOMRJKILTK-HNNXBMFYSA-N -1 0 379.416 2.962 20 30 GFEDRM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CCN1C(=O)[O-] ZINC000739167076 602949105 /nfs/dbraw/zinc/94/91/05/602949105.db2.gz MTZFZAPBNLPWLH-HNNXBMFYSA-N -1 0 379.416 2.962 20 30 GFEDRM Cc1nc(SCC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C)c(C#N)c(C)c1C ZINC000740220267 603129036 /nfs/dbraw/zinc/12/90/36/603129036.db2.gz PNXHTVFDBKNDBH-SFHVURJKSA-N -1 0 378.498 2.769 20 30 GFEDRM COc1cc(C#N)ccc1OCC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739852989 603179498 /nfs/dbraw/zinc/17/94/98/603179498.db2.gz OZYFCWNREVXXHG-UHFFFAOYSA-N -1 0 381.388 2.620 20 30 GFEDRM C=CCN(C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1nc(C(=O)OCC)cs1 ZINC000738494233 603180986 /nfs/dbraw/zinc/18/09/86/603180986.db2.gz XUKQZSSMPYURMS-NWDGAFQWSA-N -1 0 381.454 2.665 20 30 GFEDRM N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCN(C(=O)[O-])C3)s2)cc1 ZINC000740315061 603201675 /nfs/dbraw/zinc/20/16/75/603201675.db2.gz KMUFRENDNBGARI-LBPRGKRZSA-N -1 0 389.462 2.640 20 30 GFEDRM C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C(=O)[O-] ZINC000826021593 603259786 /nfs/dbraw/zinc/25/97/86/603259786.db2.gz VCXDWRNRCGFQSP-GFCCVEGCSA-N -1 0 385.449 2.822 20 30 GFEDRM C#CCOc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000738470290 603307578 /nfs/dbraw/zinc/30/75/78/603307578.db2.gz NQKLIHNPLPQJKC-ZWKOTPCHSA-N -1 0 385.464 2.763 20 30 GFEDRM CCN(Cc1ccccc1NC(=O)NCCNc1ccc(C#N)cn1)C(=O)[O-] ZINC000739444794 603351257 /nfs/dbraw/zinc/35/12/57/603351257.db2.gz YEKAHKKUCHZKCW-UHFFFAOYSA-N -1 0 382.424 2.687 20 30 GFEDRM N#Cc1ccsc1N1CC[C@H](Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C1=O ZINC000831157050 603513145 /nfs/dbraw/zinc/51/31/45/603513145.db2.gz OYOMRYYEEJLXFD-INIZCTEOSA-N -1 0 382.445 2.873 20 30 GFEDRM Cc1ccc(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cc1NC(=O)[O-] ZINC000830236521 603614775 /nfs/dbraw/zinc/61/47/75/603614775.db2.gz ANJIDRRDMVGABE-AWEZNQCLSA-N -1 0 385.401 2.980 20 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C[C@@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823731998 604023794 /nfs/dbraw/zinc/02/37/94/604023794.db2.gz RZAMJWKIOMKDOV-PBHICJAKSA-N -1 0 387.436 2.517 20 30 GFEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823500211 604029045 /nfs/dbraw/zinc/02/90/45/604029045.db2.gz BXIJVOJSBIKABN-UHFFFAOYSA-N -1 0 379.416 2.880 20 30 GFEDRM C=CCc1cc(CNC(=O)N(C)C2CCN(C(=O)[O-])CC2)cc(OC)c1OC ZINC000823522298 604029486 /nfs/dbraw/zinc/02/94/86/604029486.db2.gz ZFNHYHQMFIPXFU-UHFFFAOYSA-N -1 0 391.468 2.716 20 30 GFEDRM Cc1nc(SCC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(C#N)c(C)c1C ZINC000830778567 604031686 /nfs/dbraw/zinc/03/16/86/604031686.db2.gz DVTTYFYHSFMPSS-CABCVRRESA-N -1 0 388.493 2.714 20 30 GFEDRM N#Cc1ccc(-c2nnc(CN3CCC([C@H]4CCCN4C(=O)[O-])CC3)o2)cc1 ZINC000831118103 604039071 /nfs/dbraw/zinc/03/90/71/604039071.db2.gz MMGAVHPJFYZCEB-QGZVFWFLSA-N -1 0 381.436 2.963 20 30 GFEDRM Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1C ZINC000830505452 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393.222 2.900 20 30 GFEDRM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000578774242 655486684 /nfs/dbraw/zinc/48/66/84/655486684.db2.gz RGURGYCTBQNCIU-UHFFFAOYSA-N -1 0 382.829 2.576 20 30 GFEDRM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1 ZINC000730995185 655580347 /nfs/dbraw/zinc/58/03/47/655580347.db2.gz AYHTYCYLZBJTPY-UHFFFAOYSA-N -1 0 379.821 2.939 20 30 GFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2SCCO)n1 ZINC000740967229 655701515 /nfs/dbraw/zinc/70/15/15/655701515.db2.gz FHSDMYVRPPAKRY-CYBMUJFWSA-N -1 0 376.459 2.569 20 30 GFEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cc(Br)cs1 ZINC000743440939 655729199 /nfs/dbraw/zinc/72/91/99/655729199.db2.gz YPCHHANTJHBNIQ-UHFFFAOYSA-N -1 0 385.264 2.642 20 30 GFEDRM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C#N ZINC000746685324 655766606 /nfs/dbraw/zinc/76/66/06/655766606.db2.gz MKTISCLVQDLANP-UHFFFAOYSA-N -1 0 381.797 2.607 20 30 GFEDRM N#Cc1c(C(F)(F)F)cc(=O)[n-]c1SCC(=O)OCc1nccs1 ZINC000746977255 655769057 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/nfs/dbraw/zinc/16/59/26/659165926.db2.gz ICSZQLSXZTVETE-UHFFFAOYSA-N -1 0 380.080 2.859 20 30 GFEDRM C=CCOc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000809120672 659917072 /nfs/dbraw/zinc/91/70/72/659917072.db2.gz JXKMTIGIAXDQQI-UHFFFAOYSA-N -1 0 392.380 2.845 20 30 GFEDRM N#CCOc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000810514786 659975544 /nfs/dbraw/zinc/97/55/44/659975544.db2.gz KJVVMONWBPBETN-UHFFFAOYSA-N -1 0 399.255 2.943 20 30 GFEDRM CC#CCS(=O)(=O)[N-]C(=O)CCc1cc(Cl)ccc1Br ZINC000810773964 659985373 /nfs/dbraw/zinc/98/53/73/659985373.db2.gz QYBOVKDPJUMTSQ-UHFFFAOYSA-N -1 0 378.675 2.504 20 30 GFEDRM CSCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000810788684 659986104 /nfs/dbraw/zinc/98/61/04/659986104.db2.gz WJHOZZXVCGUCFN-UHFFFAOYSA-N -1 0 380.413 2.771 20 30 GFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000810979794 659992586 /nfs/dbraw/zinc/99/25/86/659992586.db2.gz JFUNCOLWOXKIIT-UHFFFAOYSA-N -1 0 396.266 2.561 20 30 GFEDRM CCSc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813985049 660069950 /nfs/dbraw/zinc/06/99/50/660069950.db2.gz LHQGLDQOBFFZKH-UHFFFAOYSA-N -1 0 381.866 2.837 20 30 GFEDRM O=C([O-])CNN=Cc1c(-c2ccc(Br)s2)nc2ccccn12 ZINC000814960949 660099434 /nfs/dbraw/zinc/09/94/34/660099434.db2.gz UJZORTFSOGZYCC-UHFFFAOYSA-N -1 0 379.239 2.833 20 30 GFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000816046343 660141212 /nfs/dbraw/zinc/14/12/12/660141212.db2.gz VYBDGMPOVSPUMO-UHFFFAOYSA-N -1 0 377.647 2.601 20 30 GFEDRM N#CC[C@@]1(O)CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000843425820 661381187 /nfs/dbraw/zinc/38/11/87/661381187.db2.gz XHMPEOIIFSVYSN-CYBMUJFWSA-N -1 0 390.075 2.768 20 30 GFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000845483358 661473463 /nfs/dbraw/zinc/47/34/63/661473463.db2.gz KWLCYTDNZFHLTR-HUUCEWRRSA-N -1 0 397.294 2.952 20 30 GFEDRM C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)=C([O-])c1sccc1Br ZINC000845847523 661501128 /nfs/dbraw/zinc/50/11/28/661501128.db2.gz URPYAOQFYHKEAQ-BDAKNGLRSA-N -1 0 385.283 2.953 20 30 GFEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)c(F)c1C ZINC000850752290 661790363 /nfs/dbraw/zinc/79/03/63/661790363.db2.gz NBOZEEPRVAJNPS-GFCCVEGCSA-N -1 0 385.233 2.762 20 30 GFEDRM N#CC1(CC(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)CCCCC1 ZINC000850799132 661791406 /nfs/dbraw/zinc/79/14/06/661791406.db2.gz PXQIWDISUMXZLK-UHFFFAOYSA-N -1 0 380.857 2.657 20 30 GFEDRM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000859426308 662162025 /nfs/dbraw/zinc/16/20/25/662162025.db2.gz PWQMQVWERFBBQL-SNVBAGLBSA-N -1 0 381.237 2.608 20 30 GFEDRM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861013823 662224290 /nfs/dbraw/zinc/22/42/90/662224290.db2.gz SMULZWYGNNBYSF-UHFFFAOYSA-N -1 0 381.454 2.846 20 30 GFEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(Br)c1C)C(=O)[O-] ZINC000863419440 662329385 /nfs/dbraw/zinc/32/93/85/662329385.db2.gz BZSWFOBRILCIJE-JTQLQIEISA-N -1 0 382.663 2.632 20 30 GFEDRM C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000863420595 662329786 /nfs/dbraw/zinc/32/97/86/662329786.db2.gz LXVVCRAJULAEIQ-NSHDSACASA-N -1 0 387.763 2.502 20 30 GFEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(OC)c(Br)c(OC)c1)C(=O)[O-] ZINC000864184669 662359362 /nfs/dbraw/zinc/35/93/62/662359362.db2.gz PQLOFUAUHZBIRT-SECBINFHSA-N -1 0 392.633 2.792 20 30 GFEDRM O=C(/C=C/c1cn(C[C@@H]2CCCO2)nn1)c1cc(Br)cc(F)c1[O-] ZINC000865222609 662405382 /nfs/dbraw/zinc/40/53/82/662405382.db2.gz YPPOEQLXMVQFQJ-PCAWENJQSA-N -1 0 396.216 2.960 20 30 GFEDRM CCO[C@H](C(=O)C(C#N)=C([O-])c1sccc1Br)[C@H]1CCOC1 ZINC000870454646 662690693 /nfs/dbraw/zinc/69/06/93/662690693.db2.gz NUQJFPXAAIBOJV-RBZYPMLTSA-N -1 0 386.267 2.844 20 30 GFEDRM COCCn1ncc(C(=O)C(C#N)=C([O-])c2sccc2Br)c1C ZINC000870454640 662690824 /nfs/dbraw/zinc/69/08/24/662690824.db2.gz NRWBUSUSUSFPAV-JTQLQIEISA-N -1 0 396.266 2.867 20 30 GFEDRM N#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000870637219 662696563 /nfs/dbraw/zinc/69/65/63/662696563.db2.gz BAVPCDOQMCYNJC-UHFFFAOYSA-N -1 0 377.235 2.867 20 30 GFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1cc(C)ccc1Br ZINC000872005564 662752156 /nfs/dbraw/zinc/75/21/56/662752156.db2.gz NALJRZWEJCARLR-UHFFFAOYSA-N -1 0 383.271 2.788 20 30 GFEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3ccc(C#N)cc3Br)C2)cn1 ZINC000873070197 662798430 /nfs/dbraw/zinc/79/84/30/662798430.db2.gz QHEMJARPCZUFFS-OLZOCXBDSA-N -1 0 389.253 2.749 20 30 GFEDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC(F)(F)C1 ZINC000873495129 662807876 /nfs/dbraw/zinc/80/78/76/662807876.db2.gz BWBJQJSBFQALTI-UHFFFAOYSA-N -1 0 382.310 2.817 20 30 GFEDRM O=C([O-])C#C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000899925903 663702789 /nfs/dbraw/zinc/70/27/89/663702789.db2.gz HRWPXMMPQZEIGR-SECBINFHSA-N -1 0 380.224 2.621 20 30 GFEDRM N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c(I)c1 ZINC000905131499 663854631 /nfs/dbraw/zinc/85/46/31/663854631.db2.gz SNZMSXBWNQBZFF-NXEZZACHSA-N -1 0 384.173 2.602 20 30 GFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000905190762 663857492 /nfs/dbraw/zinc/85/74/92/663857492.db2.gz RCJATZHYDYWSSB-LBPRGKRZSA-N -1 0 376.356 2.595 20 30 GFEDRM CC(C)Cn1[n-]c(CC(=O)Nc2cccc(C#N)c2Br)cc1=O ZINC000905956781 663903527 /nfs/dbraw/zinc/90/35/27/663903527.db2.gz XKKNSMYXJXLRLD-UHFFFAOYSA-N -1 0 377.242 2.648 20 30 GFEDRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](OC)C2 ZINC000906075946 663922728 /nfs/dbraw/zinc/92/27/28/663922728.db2.gz QVFWOXBYRZOAOD-QWHCGFSZSA-N -1 0 386.539 2.926 20 30 GFEDRM CC(C)(C)NC(=S)NN=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000915950580 664445163 /nfs/dbraw/zinc/44/51/63/664445163.db2.gz AILPMKIITITUTI-UHFFFAOYSA-N -1 0 388.287 2.509 20 30 GFEDRM Cc1nnc([S-])n(N=Cc2sc(Nc3ccccc3)nc2Cl)c1=O ZINC000916303506 664456584 /nfs/dbraw/zinc/45/65/84/664456584.db2.gz JWSOQTREMOESEK-UHFFFAOYSA-N -1 0 378.870 2.971 20 30 GFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(Br)c(C)c2)n1 ZINC000924060173 664645807 /nfs/dbraw/zinc/64/58/07/664645807.db2.gz GFICGGWFGIWWER-NSHDSACASA-N -1 0 394.250 2.951 20 30 GFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)Cc2ccc(F)cc2)c1 ZINC000151727916 677403686 /nfs/dbraw/zinc/40/36/86/677403686.db2.gz YAUHTVBQYFRTFB-UHFFFAOYSA-N -1 0 397.225 2.507 20 30 GFEDRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000809125025 677674548 /nfs/dbraw/zinc/67/45/48/677674548.db2.gz XVLYDHIQHDZPSD-YWEYNIOJSA-N -1 0 375.219 2.621 20 30 GFEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000151717981 551420115 /nfs/dbraw/zinc/42/01/15/551420115.db2.gz KTCNUNWSJVFFAH-CMPLNLGQSA-N -1 0 385.283 2.952 20 30 GFEDRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000160662373 551583766 /nfs/dbraw/zinc/58/37/66/551583766.db2.gz VNUNAAMZZOUTHK-UHFFFAOYSA-N -1 0 399.270 2.908 20 30 GFEDRM N#Cc1nc(NC(=O)c2cc(I)ccc2Cl)[n-]c1C#N ZINC000163565957 551620903 /nfs/dbraw/zinc/62/09/03/551620903.db2.gz TZTPLGWIVCHNKH-UHFFFAOYSA-N -1 0 397.563 2.663 20 30 GFEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000187761940 552423780 /nfs/dbraw/zinc/42/37/80/552423780.db2.gz XNUFNPSMQMMQNP-UHFFFAOYSA-N -1 0 375.273 2.708 20 30 GFEDRM C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000192130097 552552300 /nfs/dbraw/zinc/55/23/00/552552300.db2.gz FMUDAVOGRHRPNA-SECBINFHSA-N -1 0 390.895 2.888 20 30 GFEDRM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000192130090 552552567 /nfs/dbraw/zinc/55/25/67/552552567.db2.gz FMUDAVOGRHRPNA-VIFPVBQESA-N -1 0 390.895 2.888 20 30 GFEDRM O=S(=O)([N-]c1ncn(CC(F)(F)F)n1)c1ccc(F)cc1C(F)(F)F ZINC000194996118 553035102 /nfs/dbraw/zinc/03/51/02/553035102.db2.gz FHCXZLAACBGXLL-UHFFFAOYSA-N -1 0 392.256 2.799 20 30 GFEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)cc(C(=O)OC)c1C ZINC000416954326 563864267 /nfs/dbraw/zinc/86/42/67/563864267.db2.gz PUCIIDKRGXNZTE-JTQLQIEISA-N -1 0 375.244 2.588 20 30 GFEDRM N#Cc1ccc(N2CCCN(C(=O)CSc3n[n-]c(=S)s3)CC2)cc1 ZINC000370016224 563230802 /nfs/dbraw/zinc/23/08/02/563230802.db2.gz HDKJPZYEZBJQOK-UHFFFAOYSA-N -1 0 391.547 2.529 20 30 GFEDRM COC(=O)C(C)(C)c1csc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n1 ZINC000295179097 563233376 /nfs/dbraw/zinc/23/33/76/563233376.db2.gz IIDLQRQXPJUFBO-UHFFFAOYSA-N -1 0 379.463 2.575 20 30 GFEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1OC ZINC000279221657 563288475 /nfs/dbraw/zinc/28/84/75/563288475.db2.gz XLJZZYHYRKDOKU-UHFFFAOYSA-N -1 0 382.829 2.630 20 30 GFEDRM C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000422641462 563345993 /nfs/dbraw/zinc/34/59/93/563345993.db2.gz DLGXMXDFXHMMKQ-NSHDSACASA-N -1 0 381.226 2.653 20 30 GFEDRM C=CCCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)nn1 ZINC000425247814 563414679 /nfs/dbraw/zinc/41/46/79/563414679.db2.gz PFVSRSQMNRVQHV-ZDUSSCGKSA-N -1 0 393.241 2.563 20 30 GFEDRM Cc1ncc(S(=O)(=O)[N-]c2cc(Br)ccc2C#N)cc1C#N ZINC000319425993 563445508 /nfs/dbraw/zinc/44/55/08/563445508.db2.gz FHPRUYKEDGQTNI-UHFFFAOYSA-N -1 0 377.223 2.697 20 30 GFEDRM N#Cc1cccc(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2Br)c1 ZINC000321819720 563448416 /nfs/dbraw/zinc/44/84/16/563448416.db2.gz DRYGGTKRPFTOER-UHFFFAOYSA-N -1 0 395.234 2.961 20 30 GFEDRM CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000284449446 563475704 /nfs/dbraw/zinc/47/57/04/563475704.db2.gz DUQSHKWCNDDRFK-LLVKDONJSA-N -1 0 376.356 2.593 20 30 GFEDRM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000392553419 563526980 /nfs/dbraw/zinc/52/69/80/563526980.db2.gz HJNDLPBOSYGNDF-UHFFFAOYSA-N -1 0 385.854 2.575 20 30 GFEDRM O=C(NC[C@@H]1COCCO1)c1cc(Br)c([O-])c(Br)c1 ZINC000331239031 563542000 /nfs/dbraw/zinc/54/20/00/563542000.db2.gz OJEUDCXSUNZZFZ-MRVPVSSYSA-N -1 0 395.047 2.637 20 30 GFEDRM CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408477909 563558058 /nfs/dbraw/zinc/55/80/58/563558058.db2.gz HKIYLRBPAFQRLI-CYBMUJFWSA-N -1 0 385.283 2.952 20 30 GFEDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000408504779 563560069 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CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000566119071 564310791 /nfs/dbraw/zinc/31/07/91/564310791.db2.gz PQLIRAKOMAXXNC-ZANVPECISA-N -1 0 378.372 2.601 20 30 GFEDRM N#CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000476216882 564330696 /nfs/dbraw/zinc/33/06/96/564330696.db2.gz KEIAWHXPZZBJJG-UHFFFAOYSA-N -1 0 388.829 2.577 20 30 GFEDRM N#Cc1cccnc1-n1cc(NC(=O)c2cccc(Br)c2[O-])cn1 ZINC000545190734 564412376 /nfs/dbraw/zinc/41/23/76/564412376.db2.gz SEEQWPKZPASVDS-UHFFFAOYSA-N -1 0 384.193 2.859 20 30 GFEDRM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(Br)c1[O-] ZINC000545897401 564436795 /nfs/dbraw/zinc/43/67/95/564436795.db2.gz DGVWTJFKESHRJC-UHFFFAOYSA-N -1 0 398.220 2.590 20 30 GFEDRM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479485314 564441666 /nfs/dbraw/zinc/44/16/66/564441666.db2.gz CHVWGKJOWWEPPT-UHFFFAOYSA-N -1 0 399.881 2.692 20 30 GFEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)c1 ZINC000569037013 564446277 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C=CCn1c(=O)c2ccc(Cl)cc2nc1S[C@H]1CN(C(=O)[O-])CCC1=O ZINC000823521543 603677859 /nfs/dbraw/zinc/67/78/59/603677859.db2.gz FJGQNPXPDVFBBD-AWEZNQCLSA-N -1 0 393.852 2.649 20 30 GFEDRM C[C@H](Oc1ccccc1C#N)C(=O)OC[C@]1(C(F)(F)F)CCN(C(=O)[O-])C1 ZINC000825616905 603685215 /nfs/dbraw/zinc/68/52/15/603685215.db2.gz MLBIJJZICSOUHQ-ZBEGNZNMSA-N -1 0 386.326 2.801 20 30 GFEDRM C[C@H](OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-])C(=O)NC1(C#N)CCCCC1 ZINC000825552764 603811819 /nfs/dbraw/zinc/81/18/19/603811819.db2.gz QZGKYDADZRMZSX-FZKCQIBNSA-N -1 0 391.468 2.572 20 30 GFEDRM CN(C(=O)[O-])[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000827882810 603849352 /nfs/dbraw/zinc/84/93/52/603849352.db2.gz RKKSBYOFMOCAKJ-GFCCVEGCSA-N -1 0 376.482 2.511 20 30 GFEDRM N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])CC2)c1 ZINC000831152808 603855878 /nfs/dbraw/zinc/85/58/78/603855878.db2.gz NITQEMLSWIKYJV-QAPCUYQASA-N -1 0 386.452 2.547 20 30 GFEDRM N#Cc1cccc(-c2nnc(COC(=O)[C@H](CNC(=O)[O-])c3ccccc3)o2)c1 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389.462 2.640 20 30 GFEDRM C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CCN1C(=O)[O-] ZINC000826021594 603259904 /nfs/dbraw/zinc/25/99/04/603259904.db2.gz VCXDWRNRCGFQSP-LBPRGKRZSA-N -1 0 385.449 2.822 20 30 GFEDRM C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[C@H]1NC(=O)[O-] ZINC000739176793 603329248 /nfs/dbraw/zinc/32/92/48/603329248.db2.gz SEJYPZSQNWOCFI-SUMWQHHRSA-N -1 0 383.404 2.848 20 30 GFEDRM C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[C@H]1NC(=O)[O-] ZINC000739163536 603337090 /nfs/dbraw/zinc/33/70/90/603337090.db2.gz ALLOHHRMKQFHFW-XJKSGUPXSA-N -1 0 383.404 2.848 20 30 GFEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739122585 603454851 /nfs/dbraw/zinc/45/48/51/603454851.db2.gz IJALGOWBDFSMDD-LJQANCHMSA-N -1 0 378.432 2.976 20 30 GFEDRM N#Cc1ccsc1N1CC[C@@H](N2CCC(N(CC3CC3)C(=O)[O-])CC2)C1=O ZINC000831157234 603572638 /nfs/dbraw/zinc/57/26/38/603572638.db2.gz SDQBCTIZTQQPKX-MRXNPFEDSA-N -1 0 388.493 2.579 20 30 GFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000823647681 603579522 /nfs/dbraw/zinc/57/95/22/603579522.db2.gz MNHHLJCJXAVSBI-HUUCEWRRSA-N -1 0 390.509 2.951 20 30 GFEDRM CN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827809662 603586064 /nfs/dbraw/zinc/58/60/64/603586064.db2.gz HMUFZZMHKWYIOY-HNNXBMFYSA-N -1 0 381.392 2.962 20 30 GFEDRM C[C@H](OC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000825562124 603844825 /nfs/dbraw/zinc/84/48/25/603844825.db2.gz SPRRDKLIEGGSSL-BHYNMZESSA-N -1 0 379.800 2.518 20 30 GFEDRM N#Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)ccc1N1CCC(O)CC1 ZINC000831117740 603934423 /nfs/dbraw/zinc/93/44/23/603934423.db2.gz DXGAGEFBXLFYFT-UHFFFAOYSA-N -1 0 380.404 2.862 20 30 GFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000823516795 603937946 /nfs/dbraw/zinc/93/79/46/603937946.db2.gz WABUELJXBPAYCH-OAHLLOKOSA-N -1 0 384.436 2.509 20 30 GFEDRM N#Cc1ccc(-n2nccc2NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])cc1 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GFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccs2)c(C(F)(F)F)c1 ZINC000614318587 565107138 /nfs/dbraw/zinc/10/71/38/565107138.db2.gz NZOZQLFDCSJFGB-LBPRGKRZSA-N -1 0 390.364 2.743 20 30 GFEDRM COCC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000585798227 565112236 /nfs/dbraw/zinc/11/22/36/565112236.db2.gz WYVOFKMFQMHEAF-CQSZACIVSA-N -1 0 382.251 2.920 20 30 GFEDRM N#Cc1sccc1S(=O)(=O)[N-]c1cccc(Cl)c1N1CCOCC1 ZINC000593199681 565319804 /nfs/dbraw/zinc/31/98/04/565319804.db2.gz SZLIZFXNXSOQQT-UHFFFAOYSA-N -1 0 383.882 2.911 20 30 GFEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1C#N ZINC000594411036 565384069 /nfs/dbraw/zinc/38/40/69/565384069.db2.gz GKMLPSIRUJLACH-KOLCDFICSA-N -1 0 375.372 2.611 20 30 GFEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594487509 565395787 /nfs/dbraw/zinc/39/57/87/565395787.db2.gz NAPUUCOYRBASJC-ZANVPECISA-N -1 0 382.791 2.990 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c(Cl)c1 ZINC000594489272 565396822 /nfs/dbraw/zinc/39/68/22/565396822.db2.gz NTWQWSLCGJALQS-GXFFZTMASA-N -1 0 382.791 2.990 20 30 GFEDRM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594671464 565405010 /nfs/dbraw/zinc/40/50/10/565405010.db2.gz QXTKKNKUXFEZHX-KRWDZBQOSA-N -1 0 378.475 2.957 20 30 GFEDRM N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCC(C(=O)[O-])CC3)s2)cc1 ZINC000594873238 565433498 /nfs/dbraw/zinc/43/34/98/565433498.db2.gz QALNAYCORTVIBX-UHFFFAOYSA-N -1 0 376.459 2.772 20 30 GFEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cnn3c2CCCC3)c1 ZINC000601979073 565811226 /nfs/dbraw/zinc/81/12/26/565811226.db2.gz CWBPAMPGBYAKET-UHFFFAOYSA-N -1 0 381.255 2.654 20 30 GFEDRM C=CCOCCCC(=O)N[C@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC000630259158 565891256 /nfs/dbraw/zinc/89/12/56/565891256.db2.gz KPQQBXPOBIWBID-GOSISDBHSA-N -1 0 396.281 2.860 20 30 GFEDRM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000817956607 597036898 /nfs/dbraw/zinc/03/68/98/597036898.db2.gz STXXLYKDNMNDEH-KRWDZBQOSA-N -1 0 381.388 2.514 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CCN1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000820348581 597663323 /nfs/dbraw/zinc/66/33/23/597663323.db2.gz ZIDNCIGKAVUZIH-QILLFSRXSA-N -1 0 381.835 2.735 20 30 GFEDRM C=CCCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000735412487 599277707 /nfs/dbraw/zinc/27/77/07/599277707.db2.gz CZKIRDHCOUCHNA-UHFFFAOYSA-N -1 0 389.359 2.588 20 30 GFEDRM N#Cc1ccc(C2=CCN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CC2)cc1 ZINC000821329663 598175824 /nfs/dbraw/zinc/17/58/24/598175824.db2.gz DRXCCSHLHRMJAM-UHFFFAOYSA-N -1 0 375.384 2.511 20 30 GFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccc(-n3cccn3)cc2)cs1 ZINC000819864766 598227449 /nfs/dbraw/zinc/22/74/49/598227449.db2.gz DGVWFRCOTKLOAQ-SFHVURJKSA-N -1 0 381.417 2.939 20 30 GFEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cnc(Br)c(Br)c1 ZINC000819856616 598230194 /nfs/dbraw/zinc/23/01/94/598230194.db2.gz LANKNZQQSNKCNZ-NSHDSACASA-N -1 0 391.019 2.550 20 30 GFEDRM N#CC(=C([O-])c1occc1COc1cccc(-c2nn[nH]n2)c1)c1ccccn1 ZINC000737672616 598364276 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382.420 2.782 20 30 GFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000828985357 603859902 /nfs/dbraw/zinc/85/99/02/603859902.db2.gz PHBCMFDFLUHPHX-ZWKOTPCHSA-N -1 0 388.468 2.543 20 30 GFEDRM N#CCCn1cc(C(=O)COC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c2ccccc21 ZINC000831097359 604045126 /nfs/dbraw/zinc/04/51/26/604045126.db2.gz IGKGHWWJXMERSB-UONOGXRCSA-N -1 0 383.404 2.717 20 30 GFEDRM CCCCOc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1OCC ZINC000826842339 604086650 /nfs/dbraw/zinc/08/66/50/604086650.db2.gz MLDPTBNGBZUBHI-HNNXBMFYSA-N -1 0 375.425 2.592 20 30 GFEDRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000827858056 604127413 /nfs/dbraw/zinc/12/74/13/604127413.db2.gz KTEGMRKJRQMLNR-OAHLLOKOSA-N -1 0 381.392 2.962 20 30 GFEDRM CCOC(=O)c1csc(C(C#N)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])n1 ZINC000827357361 604154287 /nfs/dbraw/zinc/15/42/87/604154287.db2.gz XMIQXJIZJFKBKG-WVMKXHBISA-N -1 0 391.449 2.807 20 30 GFEDRM 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392.411 2.897 20 30 GFEDRM Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832993114 601354136 /nfs/dbraw/zinc/35/41/36/601354136.db2.gz KNENJQJSTHLBKO-CQSZACIVSA-N -1 0 382.401 2.706 20 30 GFEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(NC(C)=O)c1OC ZINC000831950728 601354718 /nfs/dbraw/zinc/35/47/18/601354718.db2.gz WEDXIFKAUKHZJE-KRWDZBQOSA-N -1 0 398.371 2.517 20 30 GFEDRM Cc1cccc(C[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C(=O)[O-])c1 ZINC000832967083 601356237 /nfs/dbraw/zinc/35/62/37/601356237.db2.gz BKIMCIDOLRJSCI-HNNXBMFYSA-N -1 0 399.834 2.518 20 30 GFEDRM C=CC[C@@H](NC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccncc1 ZINC000825664872 601362583 /nfs/dbraw/zinc/36/25/83/601362583.db2.gz OXQQCCRVOHQLEF-QGZVFWFLSA-N -1 0 382.420 2.564 20 30 GFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000833063867 601385456 /nfs/dbraw/zinc/38/54/56/601385456.db2.gz BVNAMFKVHRRQED-NVXWUHKLSA-N -1 0 388.420 2.984 20 30 GFEDRM 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/nfs/dbraw/zinc/58/03/00/601580300.db2.gz YBFCBSIWUYPPMR-UHFFFAOYSA-N -1 0 384.411 2.592 20 30 GFEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833016511 601586890 /nfs/dbraw/zinc/58/68/90/601586890.db2.gz YGXWJDJCGFSUEU-SFHVURJKSA-N -1 0 388.855 2.942 20 30 GFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000832909275 601718055 /nfs/dbraw/zinc/71/80/55/601718055.db2.gz YLCNHNZQIPTJCV-WBVHZDCISA-N -1 0 380.448 2.873 20 30 GFEDRM N#CCCN(C(=O)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000833065455 601741221 /nfs/dbraw/zinc/74/12/21/601741221.db2.gz DXRANKVLDOQRPX-FQEVSTJZSA-N -1 0 397.406 2.795 20 30 GFEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC(C)(C)C(=O)[O-] ZINC000832901179 601764521 /nfs/dbraw/zinc/76/45/21/601764521.db2.gz YIRPMNOLLYSLBA-UHFFFAOYSA-N -1 0 395.415 2.825 20 30 GFEDRM N#Cc1cc(F)c(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(F)c1 ZINC000522019111 601860505 /nfs/dbraw/zinc/86/05/05/601860505.db2.gz TWKNLJDNRHWWGQ-UHFFFAOYSA-N -1 0 378.356 2.676 20 30 GFEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H]43)c2)c1 ZINC000833159824 601868396 /nfs/dbraw/zinc/86/83/96/601868396.db2.gz JWHKRAMDUFWJCF-QUCCMNQESA-N -1 0 388.423 2.734 20 30 GFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC[C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000826323053 607531166 /nfs/dbraw/zinc/53/11/66/607531166.db2.gz NTIQXKURTGBOFM-NSHDSACASA-N -1 0 378.437 2.500 20 30 GFEDRM CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830661122 601906533 /nfs/dbraw/zinc/90/65/33/601906533.db2.gz PTDKMWUPINAQEY-KRWDZBQOSA-N -1 0 397.397 2.846 20 30 GFEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000825332887 607534852 /nfs/dbraw/zinc/53/48/52/607534852.db2.gz OCMQLDVLLDWCIX-UHFFFAOYSA-N -1 0 397.464 2.670 20 30 GFEDRM CC(C)N(CCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000738839186 601946839 /nfs/dbraw/zinc/94/68/39/601946839.db2.gz YJRPDVFBWWBWNC-UHFFFAOYSA-N -1 0 386.452 2.514 20 30 GFEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738640363 601949933 /nfs/dbraw/zinc/94/99/33/601949933.db2.gz UMNFMDNXRVPIHI-OLZOCXBDSA-N -1 0 390.509 2.805 20 30 GFEDRM CN(Cc1ccccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)[O-] ZINC000739717756 601974934 /nfs/dbraw/zinc/97/49/34/601974934.db2.gz MNNBPMRYBDPIIT-UHFFFAOYSA-N -1 0 390.403 2.688 20 30 GFEDRM CC[C@@](NS(=O)(=O)c1c(F)cc(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC000828989226 601981696 /nfs/dbraw/zinc/98/16/96/601981696.db2.gz UPOOKHBBNLSYNP-KRWDZBQOSA-N -1 0 380.372 2.505 20 30 GFEDRM COc1cc([C@@H](C#N)NC(=O)c2cccc(NC(=O)[O-])c2)cc(OC)c1OC ZINC000737861939 602097580 /nfs/dbraw/zinc/09/75/80/602097580.db2.gz HHOGIXGISPWCAE-CQSZACIVSA-N -1 0 385.376 2.797 20 30 GFEDRM C=CCn1c(COc2ccccc2)nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825710796 602198328 /nfs/dbraw/zinc/19/83/28/602198328.db2.gz BHUPTJCXBMUKGQ-HOCLYGCPSA-N -1 0 388.493 2.789 20 30 GFEDRM N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])o2)cc1 ZINC000740318732 602242089 /nfs/dbraw/zinc/24/20/89/602242089.db2.gz DMTIAYJRAAIABP-HNNXBMFYSA-N -1 0 383.404 2.993 20 30 GFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000740028066 602430489 /nfs/dbraw/zinc/43/04/89/602430489.db2.gz CMISFAFDAZWUIU-ODXCJYRJSA-N -1 0 388.468 2.541 20 30 GFEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737562851 602534345 /nfs/dbraw/zinc/53/43/45/602534345.db2.gz NEARAFMRDAEMRB-AWEZNQCLSA-N -1 0 376.432 2.535 20 30 GFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(NC(=O)[O-])CC2)cc1 ZINC000738489922 602591420 /nfs/dbraw/zinc/59/14/20/602591420.db2.gz LHVCSEUSXUFBES-UHFFFAOYSA-N -1 0 386.452 2.765 20 30 GFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](NC(=O)[O-])C1 ZINC000737560410 602647263 /nfs/dbraw/zinc/64/72/63/602647263.db2.gz RGPVBDMBONRZCC-UONOGXRCSA-N -1 0 376.482 2.609 20 30 GFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000738891723 602647599 /nfs/dbraw/zinc/64/75/99/602647599.db2.gz 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GFEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000181142184 552248095 /nfs/dbraw/zinc/24/80/95/552248095.db2.gz CLGBUSFSBPSRMY-UHFFFAOYSA-N -1 0 395.234 2.893 20 30 GFEDRM N#Cc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])ncc1Br ZINC000183398417 552307843 /nfs/dbraw/zinc/30/78/43/552307843.db2.gz FVECPBNGEJGQOP-UHFFFAOYSA-N -1 0 397.210 2.566 20 30 GFEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1F ZINC000192127246 552551629 /nfs/dbraw/zinc/55/16/29/552551629.db2.gz CIAWCUHZOPOMIT-GFCCVEGCSA-N -1 0 382.438 2.621 20 30 GFEDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000192131490 552552335 /nfs/dbraw/zinc/55/23/35/552552335.db2.gz ADJZHVQDDAPVNG-UHFFFAOYSA-N -1 0 384.229 2.792 20 30 GFEDRM N#Cc1nc(NC(=O)COc2ccc(Br)cc2Cl)[n-]c1C#N ZINC000192877049 552976659 /nfs/dbraw/zinc/97/66/59/552976659.db2.gz TYLGHQYPLVKRNH-UHFFFAOYSA-N -1 0 380.589 2.586 20 30 GFEDRM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000193982977 553008807 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N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1F ZINC000427126613 563460747 /nfs/dbraw/zinc/46/07/47/563460747.db2.gz PYAZZELZIMCHSJ-UHFFFAOYSA-N -1 0 377.788 2.732 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCC3)[nH]2)cc1Br ZINC000284984309 563498177 /nfs/dbraw/zinc/49/81/77/563498177.db2.gz DYDIRAGGQBFGMJ-UHFFFAOYSA-N -1 0 382.243 2.507 20 30 GFEDRM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1 ZINC000430577666 563545683 /nfs/dbraw/zinc/54/56/83/563545683.db2.gz CYIGOFIPCUSXHP-SNVBAGLBSA-N -1 0 381.479 2.774 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N2CCCC2)o1 ZINC000286559138 563565192 /nfs/dbraw/zinc/56/51/92/563565192.db2.gz IFRUCHHKBNWZJA-UHFFFAOYSA-N -1 0 379.825 2.841 20 30 GFEDRM CCOC(=O)C(C)(C)c1csc([N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000288652865 563652062 /nfs/dbraw/zinc/65/20/62/563652062.db2.gz URGYKXSKRHEIMN-UHFFFAOYSA-N -1 0 379.463 2.656 20 30 GFEDRM COC(=O)CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435496572 563653007 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Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000564606122 564241910 /nfs/dbraw/zinc/24/19/10/564241910.db2.gz VGRSDGAWSDITEJ-UHFFFAOYSA-N -1 0 388.186 2.865 20 30 GFEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1Br ZINC000508125864 564255430 /nfs/dbraw/zinc/25/54/30/564255430.db2.gz RFCHQMPPMURBCL-UHFFFAOYSA-N -1 0 381.207 2.850 20 30 GFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(I)c(Cl)c2)c1C#N ZINC000508498942 564265166 /nfs/dbraw/zinc/26/51/66/564265166.db2.gz SNXDGHAELFCKDU-UHFFFAOYSA-N -1 0 386.580 2.522 20 30 GFEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541122906 564267141 /nfs/dbraw/zinc/26/71/41/564267141.db2.gz FLWSPPHBBPIMLY-UHFFFAOYSA-N -1 0 376.829 2.538 20 30 GFEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)c1C#N ZINC000508747180 564271406 /nfs/dbraw/zinc/27/14/06/564271406.db2.gz KJSZQSIJLQVTAC-UHFFFAOYSA-N -1 0 389.131 2.925 20 30 GFEDRM N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])s2)cc1 ZINC000566495244 564329710 /nfs/dbraw/zinc/32/97/10/564329710.db2.gz WVQQUPLYDBTDQV-AWEZNQCLSA-N -1 0 376.459 2.915 20 30 GFEDRM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1O ZINC000567146450 564359414 /nfs/dbraw/zinc/35/94/14/564359414.db2.gz UHMCJEPLNMOFHZ-HIFRSBDPSA-N -1 0 398.893 2.825 20 30 GFEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000511205055 564362365 /nfs/dbraw/zinc/36/23/65/564362365.db2.gz ASXCTRNZXXVDSO-UHFFFAOYSA-N -1 0 381.475 2.761 20 30 GFEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cccc(F)c2I)[n-]1 ZINC000567461241 564373062 /nfs/dbraw/zinc/37/30/62/564373062.db2.gz GGZPPOOXHBBUQW-UHFFFAOYSA-N -1 0 398.179 2.754 20 30 GFEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2nc(SC)ncc2Cl)n1 ZINC000516352566 564501021 /nfs/dbraw/zinc/50/10/21/564501021.db2.gz SFQNOXQUMWKGOC-SSDOTTSWSA-N -1 0 382.854 2.975 20 30 GFEDRM C[C@@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000547938768 564524455 /nfs/dbraw/zinc/52/44/55/564524455.db2.gz JDIPEMMRQFKLJI-BDJLRTHQSA-N -1 0 378.837 2.952 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)C(F)F)nc2)o1 ZINC000570961058 564529916 /nfs/dbraw/zinc/52/99/16/564529916.db2.gz DHDBEFWBFRNRPH-UHFFFAOYSA-N -1 0 379.291 2.626 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2c(F)cccc2F)cc1Cl ZINC000548259934 564544825 /nfs/dbraw/zinc/54/48/25/564544825.db2.gz GYCJAKQFBOVLMM-AWEZNQCLSA-N -1 0 386.763 2.594 20 30 GFEDRM COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000548566382 564561805 /nfs/dbraw/zinc/56/18/05/564561805.db2.gz ZZSLWUUMDXDBDP-UHFFFAOYSA-N -1 0 380.809 2.500 20 30 GFEDRM N#Cc1cc(S(=O)(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])ccc1Cl ZINC000548588061 564564699 /nfs/dbraw/zinc/56/46/99/564564699.db2.gz GQGYGXRKMKGHKB-HNNXBMFYSA-N -1 0 399.255 2.839 20 30 GFEDRM CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC000548764484 564573655 /nfs/dbraw/zinc/57/36/55/564573655.db2.gz SDJZGVNGAYAASQ-GFCCVEGCSA-N -1 0 378.372 2.745 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)o1 ZINC000548768392 564573962 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0 397.374 2.875 20 30 GFEDRM COc1cc(CN2CCO[C@H](CC(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831996172 601569919 /nfs/dbraw/zinc/56/99/19/601569919.db2.gz RRWQICLHJOBVTA-LJQANCHMSA-N -1 0 396.443 2.821 20 30 GFEDRM N#Cc1cc(Br)cc(S(=O)(=O)NCCCCCCC(=O)[O-])c1 ZINC000760102553 601579599 /nfs/dbraw/zinc/57/95/99/601579599.db2.gz BZNVOVFZLBBXDJ-UHFFFAOYSA-N -1 0 389.271 2.634 20 30 GFEDRM N#Cc1cc(Br)cc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)c1 ZINC000833068006 601579995 /nfs/dbraw/zinc/57/99/95/601579995.db2.gz KXTCCMUDRFMAGN-UHFFFAOYSA-N -1 0 382.191 2.787 20 30 GFEDRM COc1cc(C#N)ccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000516202768 601620679 /nfs/dbraw/zinc/62/06/79/601620679.db2.gz MERAQAOEOVYZOG-HNNXBMFYSA-N -1 0 388.807 2.931 20 30 GFEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2c(F)cc(C#N)cc2F)cc1OC ZINC000832235541 601656910 /nfs/dbraw/zinc/65/69/10/601656910.db2.gz LDJFHSPVOAAJHL-AWEZNQCLSA-N -1 0 390.342 2.799 20 30 GFEDRM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833005386 601721908 /nfs/dbraw/zinc/72/19/08/601721908.db2.gz WXQQPIXIJGMFGX-UHFFFAOYSA-N -1 0 396.378 2.731 20 30 GFEDRM C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000825681883 601784083 /nfs/dbraw/zinc/78/40/83/601784083.db2.gz KNWNXGURNYXFCT-SNVBAGLBSA-N -1 0 394.262 2.627 20 30 GFEDRM C=CCn1c(-c2ccccc2OC)nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825705539 601815817 /nfs/dbraw/zinc/81/58/17/601815817.db2.gz LNCUDRNJKKIENK-ZFWWWQNUSA-N -1 0 388.493 2.886 20 30 GFEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(Br)c(F)cc2O)o1 ZINC000823961933 607530403 /nfs/dbraw/zinc/53/04/03/607530403.db2.gz CGCVEBWXNISKFQ-UHFFFAOYSA-N -1 0 396.180 2.606 20 30 GFEDRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000739581499 601896700 /nfs/dbraw/zinc/89/67/00/601896700.db2.gz CUCDLHFMCPEDKP-HNNXBMFYSA-N -1 0 383.404 2.945 20 30 GFEDRM CN(CC(=O)Nc1sccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830683665 601904571 /nfs/dbraw/zinc/90/45/71/601904571.db2.gz BQRPLBBSWBIXSG-AWEZNQCLSA-N -1 0 383.351 2.733 20 30 GFEDRM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833004772 601911188 /nfs/dbraw/zinc/91/11/88/601911188.db2.gz GDLCBHRKRINOPP-ROUUACIJSA-N -1 0 397.479 2.690 20 30 GFEDRM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738612042 601970966 /nfs/dbraw/zinc/97/09/66/601970966.db2.gz FDJPDZWPUMHJSD-RHSMWYFYSA-N -1 0 376.432 2.535 20 30 GFEDRM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000740309264 601991272 /nfs/dbraw/zinc/99/12/72/601991272.db2.gz YXIFSEBIVWDWCE-UHFFFAOYSA-N -1 0 388.405 2.501 20 30 GFEDRM N#CCCCS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000833065816 602007097 /nfs/dbraw/zinc/00/70/97/602007097.db2.gz MTMIUXXKMIQBQV-UHFFFAOYSA-N -1 0 393.442 2.881 20 30 GFEDRM COc1ccc(CNC(=S)NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794871744 602068087 /nfs/dbraw/zinc/06/80/87/602068087.db2.gz NUTUNWONDDCIGZ-ZDUSSCGKSA-N -1 0 387.461 2.545 20 30 GFEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000739292444 602146280 /nfs/dbraw/zinc/14/62/80/602146280.db2.gz UUPDSYVNQNEKKA-HXUWFJFHSA-N -1 0 386.452 2.562 20 30 GFEDRM COc1ccsc1[C@@H]1NC(=S)NC(C(=O)[O-])=C1C(=O)c1ccccc1F ZINC000832637541 602191449 /nfs/dbraw/zinc/19/14/49/602191449.db2.gz UJSXQBPQOFROQZ-GFCCVEGCSA-N -1 0 392.433 2.636 20 30 GFEDRM C=CCn1c(COc2ccccc2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825711083 602199651 /nfs/dbraw/zinc/19/96/51/602199651.db2.gz NSICGGRAFGUQDN-IBGZPJMESA-N -1 0 388.493 2.933 20 30 GFEDRM CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000826105733 602216556 /nfs/dbraw/zinc/21/65/56/602216556.db2.gz HUZGPFRLZRPGEG-MRXNPFEDSA-N -1 0 394.399 2.967 20 30 GFEDRM N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCCCN3C(=O)[O-])o2)cc1 ZINC000740318733 602242071 /nfs/dbraw/zinc/24/20/71/602242071.db2.gz DMTIAYJRAAIABP-OAHLLOKOSA-N -1 0 383.404 2.993 20 30 GFEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(=O)[C@@H](C)CC(=O)[O-])c1C#N ZINC000832849609 602274364 /nfs/dbraw/zinc/27/43/64/602274364.db2.gz LRFLDDYOEPHLKR-LBPRGKRZSA-N -1 0 383.404 2.558 20 30 GFEDRM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000740302836 602356274 /nfs/dbraw/zinc/35/62/74/602356274.db2.gz DWSIHBRMCIWDHS-MOPGFXCFSA-N -1 0 396.422 2.543 20 30 GFEDRM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000740302848 602356315 /nfs/dbraw/zinc/35/63/15/602356315.db2.gz DWSIHBRMCIWDHS-RTBURBONSA-N -1 0 396.422 2.543 20 30 GFEDRM C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CCCCN1C(=O)[O-] ZINC000738505394 602555905 /nfs/dbraw/zinc/55/59/05/602555905.db2.gz LKSMGVNQYNMNEX-AWEZNQCLSA-N -1 0 378.450 2.979 20 30 GFEDRM N#Cc1ccc(OC2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])CC2)cc1 ZINC000740319336 602574624 /nfs/dbraw/zinc/57/46/24/602574624.db2.gz OKYHOUDIIABLGI-HXUWFJFHSA-N -1 0 393.443 2.807 20 30 GFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000738490404 602609407 /nfs/dbraw/zinc/60/94/07/602609407.db2.gz SUXNCZPOMZJUPC-KRWDZBQOSA-N -1 0 386.452 2.765 20 30 GFEDRM C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](CCC)NC(=O)[O-])nc1C ZINC000738502460 602680999 /nfs/dbraw/zinc/68/09/99/602680999.db2.gz DQDWUDQJWOTOHS-SECBINFHSA-N -1 0 396.498 2.560 20 30 GFEDRM C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H](C)N1C(=O)[O-] ZINC000739164610 602761205 /nfs/dbraw/zinc/76/12/05/602761205.db2.gz FGBBDPJZCWMUJN-KBPBESRZSA-N -1 0 383.404 2.943 20 30 GFEDRM C=CCn1c(-c2ccncc2)nn(CN2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c1=S ZINC000738503332 602811841 /nfs/dbraw/zinc/81/18/41/602811841.db2.gz OPDUZVLIMFJNBS-KBPBESRZSA-N -1 0 388.497 2.692 20 30 GFEDRM C#CCOc1ccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)cc1 ZINC000823463928 603028422 /nfs/dbraw/zinc/02/84/22/603028422.db2.gz YTMTXPVGIPHDQJ-LJQANCHMSA-N -1 0 381.432 2.503 20 30 GFEDRM C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[C@@H]1NC(=O)[O-] ZINC000739166274 603359219 /nfs/dbraw/zinc/35/92/19/603359219.db2.gz LKRJHZMCIVYNNS-GUYCJALGSA-N -1 0 383.404 2.848 20 30 GFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000738600449 603362647 /nfs/dbraw/zinc/36/26/47/603362647.db2.gz IVYBKWNQEXEYMS-KGLIPLIRSA-N -1 0 376.482 2.561 20 30 GFEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000738491214 603391166 /nfs/dbraw/zinc/39/11/66/603391166.db2.gz HHEHFDSJIVSSOA-UHFFFAOYSA-N -1 0 389.433 3.000 20 30 GFEDRM CN(CC(C)(C)CNC(=O)[O-])C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000828137697 603565179 /nfs/dbraw/zinc/56/51/79/603565179.db2.gz LWOCHNBZPDHPBN-UHFFFAOYSA-N -1 0 385.386 2.992 20 30 GFEDRM Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1NC(=O)c1ccccc1 ZINC000830193611 603594166 /nfs/dbraw/zinc/59/41/66/603594166.db2.gz XCUJELCTFZKXFB-KRWDZBQOSA-N -1 0 392.415 2.575 20 30 GFEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000831087855 603604083 /nfs/dbraw/zinc/60/40/83/603604083.db2.gz SEEHWHRSPZBNPO-KRWDZBQOSA-N -1 0 384.436 2.533 20 30 GFEDRM C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2CN(C)C(=O)[O-])c1=S ZINC000823522072 603607688 /nfs/dbraw/zinc/60/76/88/603607688.db2.gz RACORFXDIRXLLY-HNNXBMFYSA-N -1 0 388.497 2.694 20 30 GFEDRM C=CCn1c(S[C@H]2CN(C(=O)[O-])CCC2=O)nnc1-c1ccccc1OC ZINC000823522241 603679946 /nfs/dbraw/zinc/67/99/46/603679946.db2.gz XJKCSOWEVKIWIG-HNNXBMFYSA-N -1 0 388.449 2.553 20 30 GFEDRM C[C@H](OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-])C(=O)Nc1ccccc1C#N ZINC000825550629 603809317 /nfs/dbraw/zinc/80/93/17/603809317.db2.gz AGLXYHQPNCBJPE-PYTWLRIVSA-N -1 0 385.420 2.740 20 30 GFEDRM C[C@H](OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)C(=O)N(CCC#N)c1ccccc1 ZINC000825559858 603855202 /nfs/dbraw/zinc/85/52/02/603855202.db2.gz GCMOHKQMCKPFHZ-JYJNAYRXSA-N -1 0 387.436 2.691 20 30 GFEDRM CC(N=Nc1nc(Br)cn2ccnc12)[C@@H]1CCCCN1C(=O)[O-] ZINC000823533250 603859054 /nfs/dbraw/zinc/85/90/54/603859054.db2.gz QJNHYNBICRUERD-JTQLQIEISA-N -1 0 381.234 2.812 20 30 GFEDRM C[C@H](OC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000825561293 603866288 /nfs/dbraw/zinc/86/62/88/603866288.db2.gz 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/nfs/dbraw/zinc/79/90/75/655799075.db2.gz VMCIZGGRWZTDKL-UHFFFAOYSA-N -1 0 375.475 2.636 20 30 GFEDRM Cc1ccc(Cl)c(OCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000750416957 655814054 /nfs/dbraw/zinc/81/40/54/655814054.db2.gz QSUJOBLUSSUGCR-UHFFFAOYSA-N -1 0 378.837 2.545 20 30 GFEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)s1 ZINC000750678784 655816199 /nfs/dbraw/zinc/81/61/99/655816199.db2.gz OUVJUFGANSCVIS-UHFFFAOYSA-N -1 0 385.264 2.809 20 30 GFEDRM O=C([O-])c1csc(C=NNS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000755491829 655884010 /nfs/dbraw/zinc/88/40/10/655884010.db2.gz QVSVVDQNFKKWEN-UHFFFAOYSA-N -1 0 389.252 2.521 20 30 GFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000756452039 655900094 /nfs/dbraw/zinc/90/00/94/655900094.db2.gz OTQFVCWBFYJCOX-ZWNOBZJWSA-N -1 0 377.447 2.793 20 30 GFEDRM Oc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc(Br)c1O ZINC000757559372 655913214 /nfs/dbraw/zinc/91/32/14/655913214.db2.gz BXEWGKSWVAMUQO-UHFFFAOYSA-N -1 0 383.149 2.642 20 30 GFEDRM CC(N=Nc1ncnc2c1c(Br)nn2C)c1cccc(C(=O)[O-])c1 ZINC000764691183 656116815 /nfs/dbraw/zinc/11/68/15/656116815.db2.gz YLVRSHIDZWKGSL-UHFFFAOYSA-N -1 0 389.213 2.660 20 30 GFEDRM Cc1cc(Br)cc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000766837405 656185590 /nfs/dbraw/zinc/18/55/90/656185590.db2.gz JKGGTJAHNIMHGP-UHFFFAOYSA-N -1 0 379.235 2.748 20 30 GFEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000766986169 656190223 /nfs/dbraw/zinc/19/02/23/656190223.db2.gz OHGHKHIYLJJWEK-UHFFFAOYSA-N -1 0 385.228 2.992 20 30 GFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2csc(-c3cccs3)n2)CCC1 ZINC000771077008 656339401 /nfs/dbraw/zinc/33/94/01/656339401.db2.gz CHDXWOCUVFPIJK-UHFFFAOYSA-N -1 0 381.504 2.554 20 30 GFEDRM Cc1nc(-c2cccs2)sc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000771076649 656339493 /nfs/dbraw/zinc/33/94/93/656339493.db2.gz HEZZQEOXVHPKGJ-UHFFFAOYSA-N -1 0 381.504 2.934 20 30 GFEDRM CCOc1c(Cl)cc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1OC ZINC000771080534 656339770 /nfs/dbraw/zinc/33/97/70/656339770.db2.gz QRWAMHUXFHEWME-UHFFFAOYSA-N -1 0 386.857 2.501 20 30 GFEDRM CCc1ncsc1C(=O)[N-]n1c(C)c(Br)c(C)c(C#N)c1=O ZINC000774181831 656500573 /nfs/dbraw/zinc/50/05/73/656500573.db2.gz UNVSZLHQNWFMEH-UHFFFAOYSA-N -1 0 381.255 2.502 20 30 GFEDRM O=C1Nc2c(cc([N+](=O)[O-])cc2F)C1=N[N-]c1nc(C(F)(F)F)cs1 ZINC000774389041 656524414 /nfs/dbraw/zinc/52/44/14/656524414.db2.gz UQUGUUYXSZJRKK-UHFFFAOYSA-N -1 0 375.263 2.978 20 30 GFEDRM N#Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)ccc1Cl ZINC000776610811 656765529 /nfs/dbraw/zinc/76/55/29/656765529.db2.gz JEYGXLLDYUKOLB-AWEZNQCLSA-N -1 0 378.837 2.576 20 30 GFEDRM CCCCC[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1ccccc1C#N ZINC000776686418 656781412 /nfs/dbraw/zinc/78/14/12/656781412.db2.gz JGOSQUGQBVHKNP-CVEARBPZSA-N -1 0 382.507 2.796 20 30 GFEDRM N#Cc1ccccc1CS(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000776695471 656784502 /nfs/dbraw/zinc/78/45/02/656784502.db2.gz CMOORRPOARNYCL-UHFFFAOYSA-N -1 0 378.837 2.628 20 30 GFEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Br)c(O)c2)n1 ZINC000778827888 656892110 /nfs/dbraw/zinc/89/21/10/656892110.db2.gz KJUVJTBPHCHJJR-JTQLQIEISA-N -1 0 395.234 2.953 20 30 GFEDRM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)s1 ZINC000779846467 656949477 /nfs/dbraw/zinc/94/94/77/656949477.db2.gz XGEYBDLNHUDNGG-SECBINFHSA-N -1 0 380.451 2.502 20 30 GFEDRM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)[C@@]1(C)CCCO1 ZINC000782241883 657118783 /nfs/dbraw/zinc/11/87/83/657118783.db2.gz CLWQQKDQNDBSIR-OAHLLOKOSA-N -1 0 381.483 2.696 20 30 GFEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(Br)c2cc(C)oc21 ZINC000785880818 657392080 /nfs/dbraw/zinc/39/20/80/657392080.db2.gz PRCSLBWXZHRHCW-CYBMUJFWSA-N -1 0 393.237 2.979 20 30 GFEDRM C[C@H]1CC[C@H](COC(=O)CSc2[n-]c(=O)cc(C(F)(F)F)c2C#N)O1 ZINC000789008794 657808451 /nfs/dbraw/zinc/80/84/51/657808451.db2.gz UFLLNWGDXFYBFD-DTWKUNHWSA-N -1 0 376.356 2.880 20 30 GFEDRM Cn1cc(Br)cc1C([O-])=C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000789491316 657857151 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COCc1c(C(=O)[N-]S(=O)(=O)CC2(C#N)CC2)sc2cccc(F)c21 ZINC000793193693 658368937 /nfs/dbraw/zinc/36/89/37/658368937.db2.gz BPLYIWITUVXBSK-UHFFFAOYSA-N -1 0 382.438 2.550 20 30 GFEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CSCc2ccc(Cl)cc2Cl)CC1 ZINC000793195071 658369482 /nfs/dbraw/zinc/36/94/82/658369482.db2.gz FBJPPAQHGOPVGS-UHFFFAOYSA-N -1 0 393.317 2.976 20 30 GFEDRM Cc1nc2ccc(Br)cn2c1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000796649609 658928716 /nfs/dbraw/zinc/92/87/16/658928716.db2.gz IUFDHKSXESSRIY-CYBMUJFWSA-N -1 0 389.253 2.787 20 30 GFEDRM CC(C)(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1cc(F)cc(C#N)c1 ZINC000797197637 658994449 /nfs/dbraw/zinc/99/44/49/658994449.db2.gz PHVYYZBEITWMMI-UHFFFAOYSA-N -1 0 380.363 2.763 20 30 GFEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(C)=O)c(Cl)cc1Cl ZINC000797240635 659002476 /nfs/dbraw/zinc/00/24/76/659002476.db2.gz PORFCXMKNASTQZ-SNVBAGLBSA-N -1 0 394.276 2.982 20 30 GFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797429544 659020494 /nfs/dbraw/zinc/02/04/94/659020494.db2.gz WDKGVCAXRMQTKE-JTQLQIEISA-N -1 0 382.663 2.800 20 30 GFEDRM C=C(Br)CNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000797715962 659043739 /nfs/dbraw/zinc/04/37/39/659043739.db2.gz WTTXALJLDWNQHH-LLVKDONJSA-N -1 0 377.622 2.682 20 30 GFEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Br)cc2)cc1C#N ZINC000799613245 659202265 /nfs/dbraw/zinc/20/22/65/659202265.db2.gz TWGCPXPEXCHFJO-UHFFFAOYSA-N -1 0 393.262 2.889 20 30 GFEDRM COc1nccnc1[N-][NH+]=C(C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799885608 659238270 /nfs/dbraw/zinc/23/82/70/659238270.db2.gz JLTVQWGQXQTDTO-UHFFFAOYSA-N -1 0 388.225 2.925 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccsc2)cc1C(F)(F)F ZINC000800383200 659305629 /nfs/dbraw/zinc/30/56/29/659305629.db2.gz PBGKHVPXAWEJCQ-UHFFFAOYSA-N -1 0 390.364 2.522 20 30 GFEDRM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)n(CCC#N)n1 ZINC000800835095 659334890 /nfs/dbraw/zinc/33/48/90/659334890.db2.gz MTGANGMSSPCKSZ-UHFFFAOYSA-N -1 0 378.841 2.688 20 30 GFEDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000802865796 659518659 /nfs/dbraw/zinc/51/86/59/659518659.db2.gz LIZMPIPXHDZSQU-UHFFFAOYSA-N -1 0 375.431 2.739 20 30 GFEDRM Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000802867809 659520349 /nfs/dbraw/zinc/52/03/49/659520349.db2.gz PTXCBIRMVDNBNL-HNNXBMFYSA-N -1 0 378.475 2.837 20 30 GFEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000803053115 659546368 /nfs/dbraw/zinc/54/63/68/659546368.db2.gz NJSPPCMTFQPFGA-UHFFFAOYSA-N -1 0 376.865 2.833 20 30 GFEDRM C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(C)(C)C ZINC000807879524 659869474 /nfs/dbraw/zinc/86/94/74/659869474.db2.gz YAVMIXCIJVBJLV-CQSZACIVSA-N -1 0 377.491 2.722 20 30 GFEDRM C#CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000810710413 659983589 /nfs/dbraw/zinc/98/35/89/659983589.db2.gz LFIVXLQASYUKFB-GFCCVEGCSA-N -1 0 387.885 2.608 20 30 GFEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000810779878 659985822 /nfs/dbraw/zinc/98/58/22/659985822.db2.gz FHSSTPKMZRPHGZ-UHFFFAOYSA-N -1 0 384.479 2.816 20 30 GFEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(C(F)F)nn(C)c3s2)CC1 ZINC000810984219 659992707 /nfs/dbraw/zinc/99/27/07/659992707.db2.gz WFAUJJFBXYWILD-UHFFFAOYSA-N -1 0 375.422 2.741 20 30 GFEDRM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)cc1 ZINC000811830415 660016154 /nfs/dbraw/zinc/01/61/54/660016154.db2.gz NXBMQCCCNHCTKH-DAXSKMNVSA-N -1 0 377.809 2.594 20 30 GFEDRM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000811833716 660016526 /nfs/dbraw/zinc/01/65/26/660016526.db2.gz OIEPGZITNMXUCH-UHFFFAOYSA-N -1 0 381.816 2.853 20 30 GFEDRM Cc1cc(=O)nc(NN=C2CC(C(=O)[O-])(c3cccc(Br)c3)C2)[nH]1 ZINC000814681165 660093563 /nfs/dbraw/zinc/09/35/63/660093563.db2.gz ABRRGIOOCVJBAV-UHFFFAOYSA-N -1 0 391.225 2.837 20 30 GFEDRM C[C@H]1C[C@H](C(=O)[O-])CCC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000814695867 660094034 /nfs/dbraw/zinc/09/40/34/660094034.db2.gz UJPGTPQDIZGUDE-VHSXEESVSA-N -1 0 389.271 2.604 20 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20 30 GFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000819842551 598225981 /nfs/dbraw/zinc/22/59/81/598225981.db2.gz RJLVTHIIBLWAIV-CQSZACIVSA-N -1 0 391.168 2.671 20 30 GFEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000819856834 598227221 /nfs/dbraw/zinc/22/72/21/598227221.db2.gz NTUQXEQAWGIKPV-LJQANCHMSA-N -1 0 386.429 2.604 20 30 GFEDRM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC000820285020 598228736 /nfs/dbraw/zinc/22/87/36/598228736.db2.gz LJNKBEWEFJIKEE-VQIMIIECSA-N -1 0 379.407 2.565 20 30 GFEDRM O=[N+]([O-])c1cc(Cl)cc(C=NCc2ccc(-c3nn[nH]n3)cc2F)c1[O-] ZINC000738358925 598296987 /nfs/dbraw/zinc/29/69/87/598296987.db2.gz FKLBTRCXVXPETE-CNHKJKLMSA-N -1 0 376.735 2.892 20 30 GFEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1C#N ZINC000738253132 599700867 /nfs/dbraw/zinc/70/08/67/599700867.db2.gz MKAXKCXWURVTRL-HUUCEWRRSA-N -1 0 387.436 2.684 20 30 GFEDRM C=C(C)COc1cccc(NC(=O)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000736094669 599724390 /nfs/dbraw/zinc/72/43/90/599724390.db2.gz QNYAZSQTOMUVID-UHFFFAOYSA-N -1 0 382.416 2.937 20 30 GFEDRM N#Cc1ccc(CSc2nnc(NC(=O)CCSCC(=O)[O-])s2)cc1 ZINC000739118332 599749349 /nfs/dbraw/zinc/74/93/49/599749349.db2.gz RKNXQKLDOYSVNM-UHFFFAOYSA-N -1 0 394.503 2.848 20 30 GFEDRM N#Cc1ccc(N2CCN(C(=O)NCCCCCCC(=O)[O-])CC2)c(F)c1 ZINC000738431900 599762430 /nfs/dbraw/zinc/76/24/30/599762430.db2.gz AQWXJVZMEKOKFD-UHFFFAOYSA-N -1 0 376.432 2.564 20 30 GFEDRM N#Cc1ccc(NC(=O)CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000739123073 599789656 /nfs/dbraw/zinc/78/96/56/599789656.db2.gz NBKGYIUJQKRQAY-MRXNPFEDSA-N -1 0 388.221 2.675 20 30 GFEDRM COc1ccc(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000737997337 599839681 /nfs/dbraw/zinc/83/96/81/599839681.db2.gz PXMDQHGBGPAWDX-GOSISDBHSA-N -1 0 379.416 2.550 20 30 GFEDRM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)CCCN(C)C(=O)[O-] ZINC000737886831 599912268 /nfs/dbraw/zinc/91/22/68/599912268.db2.gz QFHBLPDGSQPJEL-LLVKDONJSA-N -1 0 381.816 2.694 20 30 GFEDRM N#Cc1ccc(/C=C2\CN(CC(=O)[O-])C/C(=C\c3ccc(C#N)cc3)C2=O)cc1 ZINC000739117248 599926284 /nfs/dbraw/zinc/92/62/84/599926284.db2.gz KIYNQEMQYYNOFH-VDEHPEQNSA-N -1 0 383.407 2.866 20 30 GFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1csc(C(C)(C)C)n1 ZINC000736126665 599986569 /nfs/dbraw/zinc/98/65/69/599986569.db2.gz QHIFYCIVMZXKHF-CYBMUJFWSA-N -1 0 377.466 2.845 20 30 GFEDRM O=C([O-])C(=O)C1=C(c2cccnc2)NC(=S)N[C@@H]1c1ccc2ccccc2c1 ZINC000739498452 599993662 /nfs/dbraw/zinc/99/36/62/599993662.db2.gz MTFBWNCAHGZBMP-QGZVFWFLSA-N -1 0 389.436 2.819 20 30 GFEDRM CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737155753 600056603 /nfs/dbraw/zinc/05/66/03/600056603.db2.gz UWQZQRZYYQFRPP-INIZCTEOSA-N -1 0 395.371 2.914 20 30 GFEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000736826342 600196675 /nfs/dbraw/zinc/19/66/75/600196675.db2.gz WQCVSQXWBNWTBM-MRXNPFEDSA-N -1 0 393.443 2.567 20 30 GFEDRM Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H](NC(=O)[O-])C(C)C)ccc1Cl ZINC000738409724 600208702 /nfs/dbraw/zinc/20/87/02/600208702.db2.gz YSEKJYSHLUJJDC-INIZCTEOSA-N -1 0 395.843 2.731 20 30 GFEDRM N#CCCN(C(=O)CCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000739072669 600278682 /nfs/dbraw/zinc/27/86/82/600278682.db2.gz LHHKVSDIHHTBJO-SFHVURJKSA-N -1 0 391.427 2.928 20 30 GFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738229130 600286382 /nfs/dbraw/zinc/28/63/82/600286382.db2.gz HPCIGOAMFUBUIS-UHFFFAOYSA-N -1 0 382.420 2.957 20 30 GFEDRM N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000739093982 600387979 /nfs/dbraw/zinc/38/79/79/600387979.db2.gz XIAROMRZOQMGOT-UHFFFAOYSA-N -1 0 386.358 2.889 20 30 GFEDRM N#CCN(CC(=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000739087079 600405566 /nfs/dbraw/zinc/40/55/66/600405566.db2.gz USAAHIQLTZJCFO-UHFFFAOYSA-N -1 0 386.839 2.845 20 30 GFEDRM N#CCN(CC(=O)[O-])C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000739079025 600409175 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C[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1CNC(=O)[O-] ZINC000825919578 603716740 /nfs/dbraw/zinc/71/67/40/603716740.db2.gz PBFHFYMQAABLDG-IPYPFGDCSA-N -1 0 386.477 2.841 20 30 GFEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]2CCCCN2C(=O)[O-])cc1 ZINC000830341982 603814898 /nfs/dbraw/zinc/81/48/98/603814898.db2.gz VUXNEFBATMRUHL-DOTOQJQBSA-N -1 0 387.436 2.706 20 30 GFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823646490 603842156 /nfs/dbraw/zinc/84/21/56/603842156.db2.gz COZMHSXZXKCKEN-UONOGXRCSA-N -1 0 376.482 2.561 20 30 GFEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000830339240 603932827 /nfs/dbraw/zinc/93/28/27/603932827.db2.gz AZDRYYPTIXOKHL-RDJZCZTQSA-N -1 0 387.436 2.706 20 30 GFEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000823516447 603940290 /nfs/dbraw/zinc/94/02/90/603940290.db2.gz LCTFUKXHWAIVPH-UHFFFAOYSA-N -1 0 384.436 2.652 20 30 GFEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cc1 ZINC000823500223 603984839 /nfs/dbraw/zinc/98/48/39/603984839.db2.gz CJNBSMISAKDMLR-LJQANCHMSA-N -1 0 375.400 2.531 20 30 GFEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823500800 604030516 /nfs/dbraw/zinc/03/05/16/604030516.db2.gz LTEXUGLLGXVOQA-UHFFFAOYSA-N -1 0 393.443 2.923 20 30 GFEDRM Cc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1NC(=O)OC(C)(C)C ZINC000830191522 604067681 /nfs/dbraw/zinc/06/76/81/604067681.db2.gz BVFMWURKLXLYSC-CQSZACIVSA-N -1 0 388.424 2.670 20 30 GFEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCCc1ccc(Br)s1 ZINC000831083313 604082466 /nfs/dbraw/zinc/08/24/66/604082466.db2.gz YVMJSKGNKFVNNA-JTQLQIEISA-N -1 0 386.271 2.548 20 30 GFEDRM C[C@H](Oc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1)c1ccccc1 ZINC000825611209 604087926 /nfs/dbraw/zinc/08/79/26/604087926.db2.gz KSLBGPMHDXACHK-YOEHRIQHSA-N -1 0 380.404 2.550 20 30 GFEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@]2(C)CCN(C(=O)[O-])C2)cc1 ZINC000830341933 604110675 /nfs/dbraw/zinc/11/06/75/604110675.db2.gz 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C=CCn1c(-c2cccnc2)nn(CN2CCSC[C@@H]2CC(=O)[O-])c1=S ZINC000736118625 600704636 /nfs/dbraw/zinc/70/46/36/600704636.db2.gz XKGREKMQVFGCCP-AWEZNQCLSA-N -1 0 391.522 2.512 20 30 GFEDRM Cc1ncsc1[C@H]1NC(=S)NC(C(=O)[O-])=C1C(=O)c1cccc(Cl)c1 ZINC000833010806 600783255 /nfs/dbraw/zinc/78/32/55/600783255.db2.gz URWOEFOPRHZGIH-NSHDSACASA-N -1 0 393.877 2.845 20 30 GFEDRM N#Cc1cc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)ccc1Cl ZINC000739098887 600894754 /nfs/dbraw/zinc/89/47/54/600894754.db2.gz KFXVMWLDXGUNCG-GFCCVEGCSA-N -1 0 376.821 2.979 20 30 GFEDRM C[C@H]1CC(=O)NCCN1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000828149982 601011507 /nfs/dbraw/zinc/01/15/07/601011507.db2.gz PCIRETDTEWRWHZ-HNNXBMFYSA-N -1 0 391.427 2.527 20 30 GFEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000825625966 601071477 /nfs/dbraw/zinc/07/14/77/601071477.db2.gz RGMPNGHEKAHEPI-UHFFFAOYSA-N -1 0 378.385 2.741 20 30 GFEDRM Cc1[nH]c(C(=O)[C@@H](C)N2CCN([C@H](C#N)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000832843304 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ZINC000408498232 563559608 /nfs/dbraw/zinc/55/96/08/563559608.db2.gz KVQBUKQAKMOWHD-ZWNOBZJWSA-N -1 0 385.283 2.952 20 30 GFEDRM Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N=c1[nH][n-]c(C)c1C#N ZINC000431709124 563567436 /nfs/dbraw/zinc/56/74/36/563567436.db2.gz GCERVNDRJMGICU-UHFFFAOYSA-N -1 0 399.252 2.829 20 30 GFEDRM COCCCON=C([O-])Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000286958068 563581635 /nfs/dbraw/zinc/58/16/35/563581635.db2.gz IZKVSQPNVFMAPD-UHFFFAOYSA-N -1 0 379.467 2.792 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1Br ZINC000432777701 563593160 /nfs/dbraw/zinc/59/31/60/563593160.db2.gz VUGAYZBZUFJNFW-UHFFFAOYSA-N -1 0 381.207 2.850 20 30 GFEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)nn1CCC#N ZINC000432782012 563593271 /nfs/dbraw/zinc/59/32/71/563593271.db2.gz VFTQTCDPZCYBGG-UHFFFAOYSA-N -1 0 394.254 2.540 20 30 GFEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1[N+](=O)[O-] ZINC000432959659 563598030 /nfs/dbraw/zinc/59/80/30/563598030.db2.gz IRCRSPGDBOGBJJ-UHFFFAOYSA-N -1 0 397.210 2.733 20 30 GFEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C(=O)N1CCCC1 ZINC000435480307 563652589 /nfs/dbraw/zinc/65/25/89/563652589.db2.gz GLHGOMAEJDUMOE-UHFFFAOYSA-N -1 0 375.475 2.965 20 30 GFEDRM Cn1cc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(F)(F)F)cn1 ZINC000446949404 563870879 /nfs/dbraw/zinc/87/08/79/563870879.db2.gz HFANEDXJZSURQR-LBPRGKRZSA-N -1 0 378.763 2.527 20 30 GFEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCc2sccc2[C@H]1C(=O)[O-] ZINC000368454872 563871240 /nfs/dbraw/zinc/87/12/40/563871240.db2.gz MIJRIPUMLSSGBF-AWEZNQCLSA-N -1 0 382.850 2.646 20 30 GFEDRM COC(=O)c1nscc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000447331097 563880262 /nfs/dbraw/zinc/88/02/62/563880262.db2.gz GROAOVCIWXDYOD-JTQLQIEISA-N -1 0 397.503 2.982 20 30 GFEDRM CC(C)(C)c1nc(=NC(=O)COc2ccc(C#N)c(Br)c2)s[n-]1 ZINC000449834652 564204543 /nfs/dbraw/zinc/20/45/43/564204543.db2.gz LQUDDXIIMLPEGH-UHFFFAOYSA-N -1 0 395.282 2.909 20 30 GFEDRM COC(=O)c1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000508072143 564252008 /nfs/dbraw/zinc/25/20/08/564252008.db2.gz DXOUFUSWHGYLFQ-UHFFFAOYSA-N -1 0 386.216 2.847 20 30 GFEDRM CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)oc1C ZINC000450997842 564261203 /nfs/dbraw/zinc/26/12/03/564261203.db2.gz KQFZMERNXWBWNN-UHFFFAOYSA-N -1 0 383.813 2.680 20 30 GFEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)s1 ZINC000565054808 564263581 /nfs/dbraw/zinc/26/35/81/564263581.db2.gz DTYWFBUWIYKSKU-UHFFFAOYSA-N -1 0 384.504 2.695 20 30 GFEDRM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000541858372 564292908 /nfs/dbraw/zinc/29/29/08/564292908.db2.gz DSAGEUGQOFEUDX-UHFFFAOYSA-N -1 0 384.866 2.724 20 30 GFEDRM CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000566119069 564310293 /nfs/dbraw/zinc/31/02/93/564310293.db2.gz PQLIRAKOMAXXNC-RNCFNFMXSA-N -1 0 378.372 2.601 20 30 GFEDRM C=CCn1c(=N)[n-]nc1SCc1cc(Br)ccc1C(=O)OC ZINC000509744793 564312091 /nfs/dbraw/zinc/31/20/91/564312091.db2.gz GXTCCFQZGRYULR-UHFFFAOYSA-N -1 0 383.271 2.718 20 30 GFEDRM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2C#N)c1 ZINC000476313338 564334172 /nfs/dbraw/zinc/33/41/72/564334172.db2.gz DQFHILNMIARMGW-UHFFFAOYSA-N -1 0 395.234 2.908 20 30 GFEDRM COCc1ccccc1S(=O)(=O)[N-]c1cc(C#N)c(Br)cn1 ZINC000543642460 564357074 /nfs/dbraw/zinc/35/70/74/564357074.db2.gz XRPFEXUVXRZCMI-UHFFFAOYSA-N -1 0 382.239 2.663 20 30 GFEDRM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479532081 564443481 /nfs/dbraw/zinc/44/34/81/564443481.db2.gz XIJGWMNIFAXLDF-UHFFFAOYSA-N -1 0 379.825 2.979 20 30 GFEDRM N#Cc1cccc(CS(=O)(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccsc2)c1 ZINC000514983972 564464813 /nfs/dbraw/zinc/46/48/13/564464813.db2.gz OEIWYBGSTDQRDB-CABCVRRESA-N -1 0 394.499 2.650 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc1Br ZINC000569895469 564483307 /nfs/dbraw/zinc/48/33/07/564483307.db2.gz QCDPEYIGCGLINE-UHFFFAOYSA-N -1 0 393.222 2.703 20 30 GFEDRM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2cccc(C#N)c2)cc1Cl ZINC000547922138 564522032 /nfs/dbraw/zinc/52/20/32/564522032.db2.gz CGBJEDCDDNZGFA-UHFFFAOYSA-N -1 0 378.837 2.796 20 30 GFEDRM CC(C)=CCSC[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000547940341 564524325 /nfs/dbraw/zinc/52/43/25/564524325.db2.gz YAPYYXFJMSJYSS-AWEZNQCLSA-N -1 0 388.898 2.643 20 30 GFEDRM CC(C)=CCSC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)[O-] ZINC000547940342 564524671 /nfs/dbraw/zinc/52/46/71/564524671.db2.gz YAPYYXFJMSJYSS-CQSZACIVSA-N -1 0 388.898 2.643 20 30 GFEDRM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000547940198 564524680 /nfs/dbraw/zinc/52/46/80/564524680.db2.gz UYMKWPKQMYFWHT-ZBEGNZNMSA-N -1 0 378.837 2.952 20 30 GFEDRM C=CCC[C@@H](CO)NC(=O)N=c1[n-]nc(-c2cccc(Br)c2)s1 ZINC000455179238 564540799 /nfs/dbraw/zinc/54/07/99/564540799.db2.gz LPIKINMKZMGPBE-LBPRGKRZSA-N -1 0 397.298 2.838 20 30 GFEDRM N#Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2c(F)cccc2F)ccc1Cl ZINC000548260972 564544394 /nfs/dbraw/zinc/54/43/94/564544394.db2.gz ZJQWHNYKOZIATG-CQSZACIVSA-N -1 0 386.763 2.594 20 30 GFEDRM Cc1cccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C(=O)[O-])c1C ZINC000548291981 564547579 /nfs/dbraw/zinc/54/75/79/564547579.db2.gz RAXVDZXMWICAEZ-MRXNPFEDSA-N -1 0 378.837 2.933 20 30 GFEDRM CC(C)(CCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000548544299 564558018 /nfs/dbraw/zinc/55/80/18/564558018.db2.gz PUEMDDHNHDSDHI-UHFFFAOYSA-N -1 0 378.372 2.746 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccc2)c(Cl)c1 ZINC000548548762 564558428 /nfs/dbraw/zinc/55/84/28/564558428.db2.gz PNHMEFXULGPXFZ-UHFFFAOYSA-N -1 0 378.837 2.877 20 30 GFEDRM CCCCC[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)cc1F ZINC000548568651 564561770 /nfs/dbraw/zinc/56/17/70/564561770.db2.gz VRKLKEQIGJASPJ-UKRRQHHQSA-N -1 0 386.470 2.794 20 30 GFEDRM CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000548830458 564576544 /nfs/dbraw/zinc/57/65/44/564576544.db2.gz JNEYQXYWBCNBPQ-UHFFFAOYSA-N -1 0 378.372 2.698 20 30 GFEDRM C[C@@H]1CC[C@@](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)(CC(=O)[O-])C1 ZINC000519628275 564584038 /nfs/dbraw/zinc/58/40/38/564584038.db2.gz SHUSNOBUEZALON-PXAZEXFGSA-N -1 0 384.885 2.965 20 30 GFEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000484596216 564591853 /nfs/dbraw/zinc/59/18/53/564591853.db2.gz GJCQGKKIWNUVPH-UHFFFAOYSA-N -1 0 380.298 2.839 20 30 GFEDRM COCCOc1ccc(S(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cc1C ZINC000572592075 564601735 /nfs/dbraw/zinc/60/17/35/564601735.db2.gz LUVBRTNZKNMNOT-UHFFFAOYSA-N -1 0 381.841 2.741 20 30 GFEDRM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000485409368 564614876 /nfs/dbraw/zinc/61/48/76/564614876.db2.gz FMGWMGHLEVTNEG-UHFFFAOYSA-N -1 0 394.762 2.687 20 30 GFEDRM C=CCCCS(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000520937428 564615517 /nfs/dbraw/zinc/61/55/17/564615517.db2.gz VGZONAWGCPYYTD-CYBMUJFWSA-N -1 0 376.272 2.851 20 30 GFEDRM N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])s2)s1 ZINC000573021563 564620046 /nfs/dbraw/zinc/62/00/46/564620046.db2.gz DAPBCTAJDIEVGB-NSHDSACASA-N -1 0 382.488 2.976 20 30 GFEDRM CC(C)S(=O)(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000550791629 564631474 /nfs/dbraw/zinc/63/14/74/564631474.db2.gz UZCFYDNONNVAQP-UHFFFAOYSA-N -1 0 399.881 2.590 20 30 GFEDRM N#CCc1ccc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000457349936 564657908 /nfs/dbraw/zinc/65/79/08/564657908.db2.gz MYGWPEHALOMVNJ-CFVMTHIKSA-N -1 0 382.869 2.812 20 30 GFEDRM N#Cc1c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)nc2n1CCS2 ZINC000460712890 564779523 /nfs/dbraw/zinc/77/95/23/564779523.db2.gz DSRHRCGOJSJXRF-UHFFFAOYSA-N -1 0 388.396 2.821 20 30 GFEDRM N#Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC23CC3)ccc1Br ZINC000529023729 564814984 /nfs/dbraw/zinc/81/49/84/564814984.db2.gz AFXREVRPMMSEBM-GFCCVEGCSA-N -1 0 383.267 2.706 20 30 GFEDRM CN([C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC000558473937 564902272 /nfs/dbraw/zinc/90/22/72/564902272.db2.gz XFEKJOYQQIUMLL-CYBMUJFWSA-N -1 0 389.216 2.904 20 30 GFEDRM COc1ccc([C@@H](CCC(=O)[O-])NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000559602912 564936642 /nfs/dbraw/zinc/93/66/42/564936642.db2.gz NCFQYURIWFXXSF-CQSZACIVSA-N -1 0 380.447 2.513 20 30 GFEDRM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502783179 565005049 /nfs/dbraw/zinc/00/50/49/565005049.db2.gz WRAZZDIOEHGIFR-UHFFFAOYSA-N -1 0 384.866 2.557 20 30 GFEDRM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ncc1Br ZINC000536502145 565039122 /nfs/dbraw/zinc/03/91/22/565039122.db2.gz NTQZARYUPGYVNH-UHFFFAOYSA-N -1 0 382.239 2.834 20 30 GFEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C)c(Br)cc1C)C(=O)[O-] ZINC000584755449 565096002 /nfs/dbraw/zinc/09/60/02/565096002.db2.gz ALFLHJBFKYDPCW-LBPRGKRZSA-N -1 0 376.272 2.764 20 30 GFEDRM N#C[C@@]1(F)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C1 ZINC000615606580 565167278 /nfs/dbraw/zinc/16/72/78/565167278.db2.gz GBWURWNEDLTXDU-INIZCTEOSA-N -1 0 379.438 2.627 20 30 GFEDRM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1O ZINC000589965592 565174715 /nfs/dbraw/zinc/17/47/15/565174715.db2.gz DBAIJLXZHSLYBY-UHFFFAOYSA-N -1 0 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ZINC000739498939 599993540 /nfs/dbraw/zinc/99/35/40/599993540.db2.gz NSDNFUFDWBBXIQ-OAHLLOKOSA-N -1 0 392.358 2.688 20 30 GFEDRM COc1cc([C@H](C#N)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000737861842 600066894 /nfs/dbraw/zinc/06/68/94/600066894.db2.gz GEFYDQMLFDJQEY-INIZCTEOSA-N -1 0 398.415 2.724 20 30 GFEDRM N#Cc1ccc(OC2CCN(C(=O)Nc3nc(CC(=O)[O-])cs3)CC2)cc1 ZINC000738430106 600108348 /nfs/dbraw/zinc/10/83/48/600108348.db2.gz AGSZHTMZKGKVFI-UHFFFAOYSA-N -1 0 386.433 2.717 20 30 GFEDRM COC[C@H](C)N=c1scc(-c2cc(C(=O)[O-])co2)n1N=Cc1ccco1 ZINC000737747270 600145387 /nfs/dbraw/zinc/14/53/87/600145387.db2.gz HINFRRLHRXYPEO-NSHDSACASA-N -1 0 375.406 2.919 20 30 GFEDRM Cc1nc(C)c([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccc(C)cc2)s1 ZINC000738503473 600254612 /nfs/dbraw/zinc/25/46/12/600254612.db2.gz OZVULZFPWDAPGZ-ZDUSSCGKSA-N -1 0 387.486 2.809 20 30 GFEDRM COc1cc(COC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000737885651 600266870 /nfs/dbraw/zinc/26/68/70/600266870.db2.gz FKESQFMKQNBCBA-IAGOWNOFSA-N -1 0 381.384 2.910 20 30 GFEDRM C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736096662 600272028 /nfs/dbraw/zinc/27/20/28/600272028.db2.gz ROAUEDXUVZVQRB-HNNXBMFYSA-N -1 0 376.412 2.804 20 30 GFEDRM N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCCCCC(=O)[O-])c2)cc1 ZINC000739129778 600316273 /nfs/dbraw/zinc/31/62/73/600316273.db2.gz DDVAQZLVHQZGMM-UHFFFAOYSA-N -1 0 381.388 2.660 20 30 GFEDRM N#Cc1cnn(-c2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(Cl)c3)cc2)c1N ZINC000739145716 600326877 /nfs/dbraw/zinc/32/68/77/600326877.db2.gz USOWQJRBUVVTOV-MRXNPFEDSA-N -1 0 396.790 2.962 20 30 GFEDRM C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(=O)[O-] ZINC000736587527 600345405 /nfs/dbraw/zinc/34/54/05/600345405.db2.gz YALMINRWEMBEHL-LRDDRELGSA-N -1 0 399.834 2.771 20 30 GFEDRM C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000736105741 600372507 /nfs/dbraw/zinc/37/25/07/600372507.db2.gz HOQICYUCPIHKME-UHFFFAOYSA-N -1 0 398.437 2.610 20 30 GFEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000739088466 600403712 /nfs/dbraw/zinc/40/37/12/600403712.db2.gz VHQNEEYPVTYZDR-UHFFFAOYSA-N -1 0 380.429 2.906 20 30 GFEDRM N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2)c1N ZINC000739145428 600486761 /nfs/dbraw/zinc/48/67/61/600486761.db2.gz MSSLKHMSLWBXMD-UHFFFAOYSA-N -1 0 381.779 2.930 20 30 GFEDRM N#Cc1ccc(OCc2ccc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)o2)cc1 ZINC000739129295 600489651 /nfs/dbraw/zinc/48/96/51/600489651.db2.gz STURTCOUSUKKKG-QGZVFWFLSA-N -1 0 398.415 2.826 20 30 GFEDRM N#Cc1ccc([C@H](OC(=O)CCCc2nc3ccccc3c(=O)[nH]2)C(=O)[O-])cc1 ZINC000739107429 600608600 /nfs/dbraw/zinc/60/86/00/600608600.db2.gz BQCYHKGTPYOLDY-IBGZPJMESA-N -1 0 391.383 2.899 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)CCc2nnc(-c3ccccc3)o2)C(=O)[O-])cc1 ZINC000739111067 600609079 /nfs/dbraw/zinc/60/90/79/600609079.db2.gz ULDCDQHZIWUFBQ-GOSISDBHSA-N -1 0 377.356 2.910 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)CCCNC(=O)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739111057 600614436 /nfs/dbraw/zinc/61/44/36/600614436.db2.gz UKQRESPQZZDPPG-GOSISDBHSA-N -1 0 384.363 2.576 20 30 GFEDRM N#Cc1ccc([C@H](OC(=O)c2cn(-c3ccccc3Cl)nn2)C(=O)[O-])cc1 ZINC000739118177 600615140 /nfs/dbraw/zinc/61/51/40/600615140.db2.gz OYKYRWCOCLGXIW-INIZCTEOSA-N -1 0 382.763 2.775 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C(=O)[O-])cc1 ZINC000739111053 600618080 /nfs/dbraw/zinc/61/80/80/600618080.db2.gz UIHAXPCZJZJAEI-RBUKOAKNSA-N -1 0 392.411 2.780 20 30 GFEDRM N#C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Br)cc1 ZINC000739075607 600630647 /nfs/dbraw/zinc/63/06/47/600630647.db2.gz UCLUHYTXMRILFR-OAHLLOKOSA-N -1 0 389.205 2.907 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000739130158 600651292 /nfs/dbraw/zinc/65/12/92/600651292.db2.gz MBDUKGWQVNMYQH-IBGZPJMESA-N -1 0 394.452 2.933 20 30 GFEDRM COC(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2C#N)cc1C(=O)[O-] ZINC000737700374 600684334 /nfs/dbraw/zinc/68/43/34/600684334.db2.gz RNIURNNZXYBQEF-UHFFFAOYSA-N -1 0 387.779 2.747 20 30 GFEDRM Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000738319576 600722270 /nfs/dbraw/zinc/72/22/70/600722270.db2.gz MVPUKSOSSVWRFQ-UHFFFAOYSA-N -1 0 388.445 2.589 20 30 GFEDRM CCc1[nH]c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(C)c1C(=O)[O-] ZINC000830197064 600781519 /nfs/dbraw/zinc/78/15/19/600781519.db2.gz QJPUZHZRXAHDFJ-UHFFFAOYSA-N -1 0 396.447 2.669 20 30 GFEDRM C[C@H](NC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827609000 600935667 /nfs/dbraw/zinc/93/56/67/600935667.db2.gz CDJHDPBIXPUXAF-AWEZNQCLSA-N -1 0 395.415 2.618 20 30 GFEDRM CCOc1ccccc1-n1nnnc1S[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737213220 600936613 /nfs/dbraw/zinc/93/66/13/600936613.db2.gz OAJUJVAJKBBVKB-INIZCTEOSA-N -1 0 381.417 2.851 20 30 GFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC000825966684 601022489 /nfs/dbraw/zinc/02/24/89/601022489.db2.gz JVLJVFMTMNPBKD-ZIAGYGMSSA-N -1 0 393.534 2.769 20 30 GFEDRM CC(=O)N(c1nc(CN(CC#N)CC(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000825823146 601151962 /nfs/dbraw/zinc/15/19/62/601151962.db2.gz NUZPGFTXVQUQFO-UHFFFAOYSA-N -1 0 378.841 2.891 20 30 GFEDRM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827436930 601190401 /nfs/dbraw/zinc/19/04/01/601190401.db2.gz MODBUMUOAWBKHN-DOMZBBRYSA-N -1 0 376.409 2.730 20 30 GFEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000832389322 601236669 /nfs/dbraw/zinc/23/66/69/601236669.db2.gz RGPOBOUXRZZGHE-GMXVVIOVSA-N -1 0 378.812 2.887 20 30 GFEDRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Cc1cccc(C#N)c1)CC2 ZINC000832102459 601271647 /nfs/dbraw/zinc/27/16/47/601271647.db2.gz CWXYLYBQLOTFFR-SFHVURJKSA-N -1 0 394.427 2.719 20 30 GFEDRM CN(Cc1ccccc1)C(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830852775 601311301 /nfs/dbraw/zinc/31/13/01/601311301.db2.gz VLHTZUPYEODZHM-FQEVSTJZSA-N -1 0 392.459 2.554 20 30 GFEDRM CCn1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(=O)c2ccc(C)nc21 ZINC000830419855 601344019 /nfs/dbraw/zinc/34/40/19/601344019.db2.gz BPCJTDGKZNGCMY-SFHVURJKSA-N -1 0 391.383 2.579 20 30 GFEDRM COc1ccc([C@@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)NC(C)=O)cc1 ZINC000832241531 601344926 /nfs/dbraw/zinc/34/49/26/601344926.db2.gz RECMLTYUGLZDND-QUCCMNQESA-N -1 0 396.399 2.503 20 30 GFEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(CN3CCCC3=O)cc2)C(=O)[O-])c1 ZINC000833077564 601345592 /nfs/dbraw/zinc/34/55/92/601345592.db2.gz WKSZPXJBXITJNH-IBGZPJMESA-N -1 0 378.384 2.663 20 30 GFEDRM CS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Cl ZINC000832703904 601345877 /nfs/dbraw/zinc/34/58/77/601345877.db2.gz JBJVNGBGAWTVFB-HNNXBMFYSA-N -1 0 393.804 2.598 20 30 GFEDRM Cc1nc2ccnn2c(C)c1CCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833006202 601350256 /nfs/dbraw/zinc/35/02/56/601350256.db2.gz CQMOTLIBSYPXPW-IBGZPJMESA-N -1 0 378.388 2.520 20 30 GFEDRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826542186 601353502 /nfs/dbraw/zinc/35/35/02/601353502.db2.gz LRXUPSMGDBOUFU-HNNXBMFYSA-N -1 0 376.409 2.921 20 30 GFEDRM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827436936 601355419 /nfs/dbraw/zinc/35/54/19/601355419.db2.gz MPCMIGBVBGRFJU-SWLSCSKDSA-N -1 0 376.409 2.730 20 30 GFEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)C(=O)[O-])cc1 ZINC000833072723 601359532 /nfs/dbraw/zinc/35/95/32/601359532.db2.gz PMJSHRMFWDAOBE-IBGZPJMESA-N -1 0 392.342 2.831 20 30 GFEDRM C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@](F)(C(=O)[O-])C2)c1=S ZINC000825705411 601372231 /nfs/dbraw/zinc/37/22/31/601372231.db2.gz GPFSDSWJGGTQTK-KRWDZBQOSA-N -1 0 380.420 2.862 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833064629 601386152 /nfs/dbraw/zinc/38/61/52/601386152.db2.gz LYEDOVPHHXDDPA-OALUTQOASA-N -1 0 384.457 2.986 20 30 GFEDRM C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cc(C#N)c[nH]3)c2C(=O)[O-])C1 ZINC000828310812 601430636 /nfs/dbraw/zinc/43/06/36/601430636.db2.gz PANIGDQWNZFFEA-VIFPVBQESA-N -1 0 387.417 2.566 20 30 GFEDRM N#CCSc1ccccc1NC(=O)CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833069303 601543212 /nfs/dbraw/zinc/54/32/12/601543212.db2.gz QVWYHEVJRFBJPR-LJQANCHMSA-N -1 0 381.457 2.925 20 30 GFEDRM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCCC[C@@H]2C(=O)[O-])c1C#N ZINC000738171794 601575992 /nfs/dbraw/zinc/57/59/92/601575992.db2.gz ZJZSITDHCUEYJI-LJQANCHMSA-N -1 0 394.475 2.903 20 30 GFEDRM COC(=O)c1cc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc(C(=O)[O-])c1 ZINC000831323391 601597446 /nfs/dbraw/zinc/59/74/46/601597446.db2.gz ZNRRHUSNVISUQT-UHFFFAOYSA-N -1 0 387.779 2.747 20 30 GFEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000828493883 601673103 /nfs/dbraw/zinc/67/31/03/601673103.db2.gz LFGWITFASMERGL-LBPRGKRZSA-N -1 0 385.370 2.886 20 30 GFEDRM COc1cccc([C@@H](C#N)NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1OC ZINC000832524418 601685971 /nfs/dbraw/zinc/68/59/71/601685971.db2.gz XIGOXUCAVXSVLN-MRXNPFEDSA-N -1 0 398.415 2.779 20 30 GFEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccncc2)s1 ZINC000825813272 601838531 /nfs/dbraw/zinc/83/85/31/601838531.db2.gz INXQIHZPFPDZPP-HNNXBMFYSA-N -1 0 398.444 2.609 20 30 GFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832843165 601873848 /nfs/dbraw/zinc/87/38/48/601873848.db2.gz SJJOSTLXRUEIDF-UHFFFAOYSA-N -1 0 386.429 2.991 20 30 GFEDRM N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000740324458 601877993 /nfs/dbraw/zinc/87/79/93/601877993.db2.gz XZLBVEAOAVBQMC-HNNXBMFYSA-N -1 0 379.416 2.867 20 30 GFEDRM C=CCNC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])cc1 ZINC000738495046 601878850 /nfs/dbraw/zinc/87/88/50/601878850.db2.gz IGQTXKXMCQLKDS-GOSISDBHSA-N -1 0 379.416 2.646 20 30 GFEDRM N#Cc1ccc([C@H](O)CSc2nc3ccccc3c(=O)n2CCC(=O)[O-])cc1 ZINC000833072107 601960359 /nfs/dbraw/zinc/96/03/59/601960359.db2.gz KPKWTUPTRYBXKD-QGZVFWFLSA-N -1 0 395.440 2.569 20 30 GFEDRM C[C@@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000548266267 601985325 /nfs/dbraw/zinc/98/53/25/601985325.db2.gz RJVQZLHKJWEMCE-MEBBXXQBSA-N -1 0 380.372 2.577 20 30 GFEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000738459833 602021341 /nfs/dbraw/zinc/02/13/41/602021341.db2.gz FVJSJGSCLITSFA-UHFFFAOYSA-N -1 0 383.423 2.981 20 30 GFEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC000827976892 602048801 /nfs/dbraw/zinc/04/88/01/602048801.db2.gz ZQEQUGLNMUYEBX-PGRDOPGGSA-N -1 0 391.427 2.604 20 30 GFEDRM C=CCN(Cc1ccccc1)C(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C ZINC000738491624 602111421 /nfs/dbraw/zinc/11/14/21/602111421.db2.gz LSUGREODGDUVBK-UHFFFAOYSA-N -1 0 383.452 2.730 20 30 GFEDRM C=CCn1c(-c2ccccn2)nn(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=S ZINC000825705280 602192240 /nfs/dbraw/zinc/19/22/40/602192240.db2.gz APZRTFNKEIJONG-CQSZACIVSA-N -1 0 385.493 2.806 20 30 GFEDRM C=CCn1c(-c2cnccn2)nn(CN2CCC(CCC(=O)[O-])CC2)c1=S ZINC000825705375 602197885 /nfs/dbraw/zinc/19/78/85/602197885.db2.gz DQROISGLNPONSQ-UHFFFAOYSA-N -1 0 388.497 2.591 20 30 GFEDRM N#CCOc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000740304927 602226772 /nfs/dbraw/zinc/22/67/72/602226772.db2.gz CSKRCUCTSOWUDO-SJLPKXTDSA-N -1 0 386.452 2.653 20 30 GFEDRM N#Cc1ccc(OCc2ccc(C(=O)N3CCC(CNC(=O)[O-])CC3)o2)cc1 ZINC000740319348 602249952 /nfs/dbraw/zinc/24/99/52/602249952.db2.gz PBKFUPSUAWOVMX-UHFFFAOYSA-N -1 0 383.404 2.850 20 30 GFEDRM COC(=O)c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1C(=O)[O-] ZINC000831404668 602280987 /nfs/dbraw/zinc/28/09/87/602280987.db2.gz JQABSCMSFFWAJM-UHFFFAOYSA-N -1 0 382.376 2.514 20 30 GFEDRM N#Cc1cc(Br)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833067585 602320470 /nfs/dbraw/zinc/32/04/70/602320470.db2.gz FOYMKXRHYFTHEB-UHFFFAOYSA-N -1 0 388.220 2.848 20 30 GFEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cc(C(=O)[O-])n(C)c2)ccc1OC ZINC000828587691 602359185 /nfs/dbraw/zinc/35/91/85/602359185.db2.gz WSSPXFFQFVMBIN-AWEZNQCLSA-N -1 0 386.408 2.735 20 30 GFEDRM CN(C[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1)C(=O)[O-] ZINC000739638514 602379662 /nfs/dbraw/zinc/37/96/62/602379662.db2.gz VZRCTQSWUZNNIW-CQSZACIVSA-N -1 0 376.482 2.563 20 30 GFEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-] ZINC000739828817 602382126 /nfs/dbraw/zinc/38/21/26/602382126.db2.gz KEILLCXFSPSYHE-QRVBRYPASA-N -1 0 385.464 2.844 20 30 GFEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738629012 602384536 /nfs/dbraw/zinc/38/45/36/602384536.db2.gz GHCYIVNVWCNTGH-LBPRGKRZSA-N -1 0 378.860 2.860 20 30 GFEDRM C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1CCCCN1C(=O)[O-] ZINC000738505396 602553198 /nfs/dbraw/zinc/55/31/98/602553198.db2.gz LKSMGVNQYNMNEX-CQSZACIVSA-N -1 0 378.450 2.979 20 30 GFEDRM N#CCOc1ccc(CNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000740305655 602609716 /nfs/dbraw/zinc/60/97/16/602609716.db2.gz RLBGKFXFFZJIRG-UHFFFAOYSA-N -1 0 380.404 2.947 20 30 GFEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738602537 602647807 /nfs/dbraw/zinc/64/78/07/602647807.db2.gz NBGGFWXWFKMFRH-CABCVRRESA-N -1 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CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000735851370 598496159 /nfs/dbraw/zinc/49/61/59/598496159.db2.gz RPLRQBBMBVJZKN-LBPRGKRZSA-N -1 0 380.412 2.790 20 30 GFEDRM N#Cc1nc(-c2ccco2)oc1N1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000739145412 599711487 /nfs/dbraw/zinc/71/14/87/599711487.db2.gz LRPRIZCPFVRBAO-QGZVFWFLSA-N -1 0 396.378 2.893 20 30 GFEDRM C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C#N)cn3)c2C(=O)[O-])C1 ZINC000736800134 599791519 /nfs/dbraw/zinc/79/15/19/599791519.db2.gz BWIDLENWFYLHPZ-SNVBAGLBSA-N -1 0 399.428 2.633 20 30 GFEDRM CNC(=O)CC1S/C(=N/[C@H](C)c2cccs2)N(CCCCC(=O)[O-])C1=O ZINC000737537608 599800991 /nfs/dbraw/zinc/80/09/91/599800991.db2.gz VTCOEMFMIDGQNA-MXLGIONESA-N -1 0 397.522 2.500 20 30 GFEDRM N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)nc1 ZINC000739122216 599831263 /nfs/dbraw/zinc/83/12/63/599831263.db2.gz BCOPTXUMKHNQOY-UHFFFAOYSA-N -1 0 393.447 2.761 20 30 GFEDRM N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000738428514 599883055 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20 30 GFEDRM N#Cc1ccsc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000739142863 600486726 /nfs/dbraw/zinc/48/67/26/600486726.db2.gz RTONYNCTNYBMFH-HNNXBMFYSA-N -1 0 383.429 2.951 20 30 GFEDRM N#Cc1ccc(CNC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c(F)c1 ZINC000739119197 600535931 /nfs/dbraw/zinc/53/59/31/600535931.db2.gz ZNTKBNBYTZHIFM-UHFFFAOYSA-N -1 0 385.395 2.940 20 30 GFEDRM Cc1ccc(N2C[C@@H](C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2=O)cc1F ZINC000738614319 600605989 /nfs/dbraw/zinc/60/59/89/600605989.db2.gz KFJLBZSXDJILSL-KXBFYZLASA-N -1 0 396.374 2.728 20 30 GFEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C(=O)[O-])cc1 ZINC000739112511 600607868 /nfs/dbraw/zinc/60/78/68/600607868.db2.gz ZVYMHJSTFDKAHK-KSSFIOAISA-N -1 0 398.802 2.934 20 30 GFEDRM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)n1 ZINC000738368429 600610893 /nfs/dbraw/zinc/61/08/93/600610893.db2.gz CBSILUQUEADYLZ-GOSISDBHSA-N -1 0 376.372 2.739 20 30 GFEDRM CCCc1c(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737044174 600612323 /nfs/dbraw/zinc/61/23/23/600612323.db2.gz RZJHYIVRQHSWHX-QGZVFWFLSA-N -1 0 384.388 2.917 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)c2cn(-c3ccccc3Cl)nn2)C(=O)[O-])cc1 ZINC000739118179 600615266 /nfs/dbraw/zinc/61/52/66/600615266.db2.gz OYKYRWCOCLGXIW-MRXNPFEDSA-N -1 0 382.763 2.775 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(CSc3nc[nH]n3)cc2)C(=O)[O-])cc1 ZINC000739114662 600618096 /nfs/dbraw/zinc/61/80/96/600618096.db2.gz JTQSZPQNUVKVCU-MRXNPFEDSA-N -1 0 394.412 2.951 20 30 GFEDRM N#Cc1ccc(Oc2ccc(C(=O)Nc3nnc(CCC(=O)[O-])s3)cc2)nc1 ZINC000739129995 600631735 /nfs/dbraw/zinc/63/17/35/600631735.db2.gz JGZHEANLYCPCJZ-UHFFFAOYSA-N -1 0 395.400 2.867 20 30 GFEDRM N#Cc1ccc(S(=O)(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000739130374 600651067 /nfs/dbraw/zinc/65/10/67/600651067.db2.gz STNUCTNPCSXHLN-SFHVURJKSA-N -1 0 394.452 2.933 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)C2CCN(C(=O)c3ccccc3)CC2)C(=O)[O-])cc1 ZINC000833070964 600697398 /nfs/dbraw/zinc/69/73/98/600697398.db2.gz BYPRPVCKYZAYFY-LJQANCHMSA-N -1 0 392.411 2.780 20 30 GFEDRM C[C@@H](NC(=O)c1ccc(N[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827704232 600730113 /nfs/dbraw/zinc/73/01/13/600730113.db2.gz WBEIMXXJEJNHNU-NWDGAFQWSA-N -1 0 382.376 2.842 20 30 GFEDRM CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000262438826 600765502 /nfs/dbraw/zinc/76/55/02/600765502.db2.gz HAXMVSJUJJUAOR-NSHDSACASA-N -1 0 378.372 2.602 20 30 GFEDRM N#Cc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccccc2Cl)o1 ZINC000833072715 600783315 /nfs/dbraw/zinc/78/33/15/600783315.db2.gz PLLARYTZVICEPK-CYBMUJFWSA-N -1 0 387.804 2.545 20 30 GFEDRM COCc1cccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccc(C)cc2)c1 ZINC000831817790 600784149 /nfs/dbraw/zinc/78/41/49/600784149.db2.gz WXRDNHLYHCTUIH-QGZVFWFLSA-N -1 0 396.468 2.882 20 30 GFEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000832389324 601236524 /nfs/dbraw/zinc/23/65/24/601236524.db2.gz RGPOBOUXRZZGHE-NTZNESFSSA-N -1 0 378.812 2.887 20 30 GFEDRM N#Cc1ccccc1OCc1cccc(C(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000833076930 601329866 /nfs/dbraw/zinc/32/98/66/601329866.db2.gz SPWVHPSJASEAJE-UHFFFAOYSA-N -1 0 394.427 2.891 20 30 GFEDRM CC(=O)N[C@@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(C)cc1 ZINC000825863754 601345477 /nfs/dbraw/zinc/34/54/77/601345477.db2.gz NSGPSORWLAYMAX-ICSRJNTNSA-N -1 0 380.400 2.803 20 30 GFEDRM Cc1nn(C)c2nc(C)c(CC(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c(C)c12 ZINC000833005547 601349648 /nfs/dbraw/zinc/34/96/48/601349648.db2.gz OAHQZGOSOITNCF-LJQANCHMSA-N -1 0 392.415 2.677 20 30 GFEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C(=O)[O-])c1 ZINC000833075726 601350714 /nfs/dbraw/zinc/35/07/14/601350714.db2.gz NIZLLORGUUWONX-KSSFIOAISA-N -1 0 398.802 2.934 20 30 GFEDRM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827436934 601355396 /nfs/dbraw/zinc/35/53/96/601355396.db2.gz MPCMIGBVBGRFJU-DOMZBBRYSA-N -1 0 376.409 2.730 20 30 GFEDRM C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000825647342 601360686 /nfs/dbraw/zinc/36/06/86/601360686.db2.gz LFFKDDCASYGVOM-LJQANCHMSA-N -1 0 396.443 2.873 20 30 GFEDRM Cc1nn(CCC#N)c(C)c1CCc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000833015455 601365527 /nfs/dbraw/zinc/36/55/27/601365527.db2.gz FWWUGHQQRGFNMN-UHFFFAOYSA-N -1 0 395.419 2.859 20 30 GFEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])NC(=S)N[C@H]2c2cc(C#N)cs2)cc1 ZINC000832911818 601376722 /nfs/dbraw/zinc/37/67/22/601376722.db2.gz PHZYASULCPXXKW-AWEZNQCLSA-N -1 0 383.454 2.669 20 30 GFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833064792 601385433 /nfs/dbraw/zinc/38/54/33/601385433.db2.gz NMXLHUXNGFLHPB-ZIAGYGMSSA-N -1 0 376.459 2.907 20 30 GFEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833064985 601386023 /nfs/dbraw/zinc/38/60/23/601386023.db2.gz PRIWBHYMBAVGMM-KGLIPLIRSA-N -1 0 376.459 2.907 20 30 GFEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833064798 601386082 /nfs/dbraw/zinc/38/60/82/601386082.db2.gz NRWWWNRNBVMFBP-DLBZAZTESA-N -1 0 388.420 2.984 20 30 GFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000833065234 601478234 /nfs/dbraw/zinc/47/82/34/601478234.db2.gz WALIHZLFHRDTSK-HUUCEWRRSA-N -1 0 383.429 2.683 20 30 GFEDRM N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833069720 601484979 /nfs/dbraw/zinc/48/49/79/601484979.db2.gz NNQZNJXFFHVAJJ-HNNXBMFYSA-N -1 0 389.770 2.621 20 30 GFEDRM COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000832561960 601499149 /nfs/dbraw/zinc/49/91/49/601499149.db2.gz HZKMXOZWHCNTOG-KRWDZBQOSA-N -1 0 396.399 2.737 20 30 GFEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000832859748 601679593 /nfs/dbraw/zinc/67/95/93/601679593.db2.gz VRTXIIXSERWHIZ-GOSISDBHSA-N -1 0 380.400 2.975 20 30 GFEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C ZINC000832909273 601717987 /nfs/dbraw/zinc/71/79/87/601717987.db2.gz YLCNHNZQIPTJCV-NVXWUHKLSA-N -1 0 380.448 2.873 20 30 GFEDRM Cc1cc(N(CCC#N)C(=O)CN2CCSC[C@@H]2CC(=O)[O-])ccc1Cl ZINC000832888531 601890627 /nfs/dbraw/zinc/89/06/27/601890627.db2.gz JUEQBRBMMJUZEV-HNNXBMFYSA-N -1 0 395.912 2.787 20 30 GFEDRM Cc1nc(SCC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)c(C#N)c(C)c1C ZINC000740218381 601905721 /nfs/dbraw/zinc/90/57/21/601905721.db2.gz ADZLMUWWPLHGCP-CQSZACIVSA-N -1 0 376.482 2.571 20 30 GFEDRM CC(C)N(CCC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)C(=O)[O-] ZINC000738840475 601945569 /nfs/dbraw/zinc/94/55/69/601945569.db2.gz WLLYYARXFPXWHR-UHFFFAOYSA-N -1 0 395.463 2.534 20 30 GFEDRM N#Cc1cnn(-c2ccc(C(=O)Nc3cc(NC(=O)[O-])ccc3F)cc2)c1N ZINC000740321733 602025884 /nfs/dbraw/zinc/02/58/84/602025884.db2.gz HEHQOWHUSMSXAU-UHFFFAOYSA-N -1 0 380.339 2.807 20 30 GFEDRM N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1Cl ZINC000833073402 602056382 /nfs/dbraw/zinc/05/63/82/602056382.db2.gz NAWVUJKNBISYKU-HIFRSBDPSA-N -1 0 377.828 2.690 20 30 GFEDRM C[C@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(=O)N(C)CCC#N ZINC000827844134 602098663 /nfs/dbraw/zinc/09/86/63/602098663.db2.gz MPRIILXPBBUFNC-VIFPVBQESA-N -1 0 387.314 2.713 20 30 GFEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1)C(=O)[O-] ZINC000794694408 602106603 /nfs/dbraw/zinc/10/66/03/602106603.db2.gz DAAXTEKNESCBJM-OEWWAVFSSA-N -1 0 397.427 2.902 20 30 GFEDRM COc1ccsc1[C@@H]1NC(=S)NC(C(=O)[O-])=C1C(=O)c1ccc(C)cc1 ZINC000832637259 602191468 /nfs/dbraw/zinc/19/14/68/602191468.db2.gz ODNQOQRXFAUPLM-CYBMUJFWSA-N -1 0 388.470 2.806 20 30 GFEDRM C=C(C)Cn1c(SCC(=O)NC2(C(=O)[O-])CCCC2)nnc1-c1ccco1 ZINC000817675220 602193047 /nfs/dbraw/zinc/19/30/47/602193047.db2.gz CKULLXCNDJOQIZ-UHFFFAOYSA-N -1 0 390.465 2.720 20 30 GFEDRM CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826105420 602216782 /nfs/dbraw/zinc/21/67/82/602216782.db2.gz CXGJFQPACMQIHS-MRXNPFEDSA-N -1 0 376.409 2.828 20 30 GFEDRM C#Cc1ccc(C(=O)Nc2ccccc2C(=O)OC2CCN(C(=O)[O-])CC2)nc1 ZINC000738468436 602337568 /nfs/dbraw/zinc/33/75/68/602337568.db2.gz VVLYSCSDWTWBKN-UHFFFAOYSA-N -1 0 393.399 2.614 20 30 GFEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)c1C ZINC000740168885 602448145 /nfs/dbraw/zinc/44/81/45/602448145.db2.gz IDNVSMAPGRGWIS-KRWDZBQOSA-N -1 0 386.496 2.918 20 30 GFEDRM C[C@](CNC(=O)[O-])(NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1CC1 ZINC000738928074 602505808 /nfs/dbraw/zinc/50/58/08/602505808.db2.gz ZNKBUSQHNMTWOL-HXUWFJFHSA-N -1 0 383.404 2.896 20 30 GFEDRM N#CCc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])cc1 ZINC000740311522 602655931 /nfs/dbraw/zinc/65/59/31/602655931.db2.gz VRCCOJKVTZCXIG-OIISXLGYSA-N -1 0 385.420 2.545 20 30 GFEDRM C=CCc1ccc(OCC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c(OC)c1 ZINC000738502480 602754041 /nfs/dbraw/zinc/75/40/41/602754041.db2.gz FDESTGRXXKPLRC-AWEZNQCLSA-N -1 0 376.453 2.697 20 30 GFEDRM Cc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c(C#N)c(C)c1C ZINC000740220679 602803280 /nfs/dbraw/zinc/80/32/80/602803280.db2.gz SCNVIMPPCZSMTI-ZBFHGGJFSA-N -1 0 390.509 2.913 20 30 GFEDRM N#CC1(NC(=O)COC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)CCCCC1 ZINC000740309843 602876180 /nfs/dbraw/zinc/87/61/80/602876180.db2.gz NMXXKYULNKWLHB-OAHLLOKOSA-N -1 0 393.827 2.535 20 30 GFEDRM N#Cc1ccc(N2CC[C@@H](Nc3ccc4c(c3)CN(C(=O)[O-])CC4)C2=O)cc1 ZINC000740318204 603243833 /nfs/dbraw/zinc/24/38/33/603243833.db2.gz WZAGCQCWLQIQMA-LJQANCHMSA-N -1 0 376.416 2.812 20 30 GFEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1CNC(=O)[O-] ZINC000824545276 603573420 /nfs/dbraw/zinc/57/34/20/603573420.db2.gz VXMIICKXINNKDH-ZIAGYGMSSA-N -1 0 376.482 2.751 20 30 GFEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000831081921 603594951 /nfs/dbraw/zinc/59/49/51/603594951.db2.gz DKHSDGISPWUAKF-GFCCVEGCSA-N -1 0 388.811 2.642 20 30 GFEDRM N#Cc1cccc(-c2nnc(COC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])o2)c1 ZINC000831146525 603647941 /nfs/dbraw/zinc/64/79/41/603647941.db2.gz 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ZINC000832858732 601595124 /nfs/dbraw/zinc/59/51/24/601595124.db2.gz FJHGNGGPLKZWTA-UHFFFAOYSA-N -1 0 391.374 2.788 20 30 GFEDRM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000738428981 601614786 /nfs/dbraw/zinc/61/47/86/601614786.db2.gz ZMIFGGVZNIKSSI-UHFFFAOYSA-N -1 0 386.429 2.643 20 30 GFEDRM Cc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000548250589 601960618 /nfs/dbraw/zinc/96/06/18/601960618.db2.gz QKQUVLIIJHHAIO-MRXNPFEDSA-N -1 0 398.362 2.730 20 30 GFEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000825682191 601979913 /nfs/dbraw/zinc/97/99/13/601979913.db2.gz SDCFLPFUGZEVIV-UHFFFAOYSA-N -1 0 379.409 2.909 20 30 GFEDRM COc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccccc2F)s1 ZINC000832272902 601991225 /nfs/dbraw/zinc/99/12/25/601991225.db2.gz LMNGQTKTBSCGAF-CYBMUJFWSA-N -1 0 392.433 2.636 20 30 GFEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000833068690 602015688 /nfs/dbraw/zinc/01/56/88/602015688.db2.gz 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C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738985907 602179318 /nfs/dbraw/zinc/17/93/18/602179318.db2.gz ONOGTPGBATUDME-FUHWJXTLSA-N -1 0 399.495 2.558 20 30 GFEDRM COc1ccsc1[C@@H]1NC(=S)NC(C(=O)[O-])=C1C(=O)c1ccc(F)cc1 ZINC000832636666 602191412 /nfs/dbraw/zinc/19/14/12/602191412.db2.gz BGYSQLSGPXMSKH-GFCCVEGCSA-N -1 0 392.433 2.636 20 30 GFEDRM CCC[C@](C)(NC(=O)[O-])C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000739300284 602218730 /nfs/dbraw/zinc/21/87/30/602218730.db2.gz YXIOEIQCMXEQKN-VZMXKUQRSA-N -1 0 381.473 2.675 20 30 GFEDRM N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](CNC(=O)[O-])C3)o2)cc1 ZINC000740319657 602248614 /nfs/dbraw/zinc/24/86/14/602248614.db2.gz WRRVSQDHFLUSRE-OAHLLOKOSA-N -1 0 383.404 2.850 20 30 GFEDRM N#Cc1ccc(N2CCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)nc1 ZINC000833073842 602253543 /nfs/dbraw/zinc/25/35/43/602253543.db2.gz ZRUJOCQFCBLGLI-UHFFFAOYSA-N -1 0 387.783 2.540 20 30 GFEDRM N#Cc1cccc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 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NBGGFWXWFKMFRH-LSDHHAIUSA-N -1 0 390.509 2.856 20 30 GFEDRM Cc1ccc(N(CCC#N)C(=O)COC(=O)C2(NC(=O)[O-])CCCC2)cc1C ZINC000740131642 602651986 /nfs/dbraw/zinc/65/19/86/602651986.db2.gz YQTWBVDKCUFXJU-UHFFFAOYSA-N -1 0 387.436 2.674 20 30 GFEDRM Cc1nc(SCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c(C#N)c(C)c1C ZINC000740218413 602774406 /nfs/dbraw/zinc/77/44/06/602774406.db2.gz BONPRGIRZBGXDQ-HIFRSBDPSA-N -1 0 376.482 2.523 20 30 GFEDRM N#C[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000740303637 602899231 /nfs/dbraw/zinc/89/92/31/602899231.db2.gz LTZWCWRPVBNEIR-SMDDNHRTSA-N -1 0 386.235 2.833 20 30 GFEDRM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[C@H]1NC(=O)[O-] ZINC000739147857 602922440 /nfs/dbraw/zinc/92/24/40/602922440.db2.gz UQZBPVOKTWHBKT-DNVCBOLYSA-N -1 0 378.432 2.991 20 30 GFEDRM N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)CC2)c1 ZINC000740323768 602979140 /nfs/dbraw/zinc/97/91/40/602979140.db2.gz VBDFLNHZBGPWQS-MRXNPFEDSA-N -1 0 386.452 2.644 20 30 GFEDRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000738911273 603015961 /nfs/dbraw/zinc/01/59/61/603015961.db2.gz RPCACCMTPIIJOS-LBPRGKRZSA-N -1 0 392.437 2.527 20 30 GFEDRM C[C@H](NC(=O)[O-])c1ccc(N[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000739018000 603105079 /nfs/dbraw/zinc/10/50/79/603105079.db2.gz VKZOYBOKCYBHPE-YVEFUNNKSA-N -1 0 378.388 2.631 20 30 GFEDRM N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](CNC(=O)[O-])C3CC3)cn2)cc1 ZINC000740321922 603115375 /nfs/dbraw/zinc/11/53/75/603115375.db2.gz WHJLAYAOBFBDTN-MRXNPFEDSA-N -1 0 381.392 2.913 20 30 GFEDRM CN(C[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2C#N)o1)C(=O)[O-] ZINC000828211097 603161324 /nfs/dbraw/zinc/16/13/24/603161324.db2.gz FCXBFPKOUHLYCY-HNNXBMFYSA-N -1 0 383.404 2.945 20 30 GFEDRM CC(C)(C(=O)Nc1sc2c(c1C#N)CCCC2)N1CCN(C(=O)[O-])CC1 ZINC000738662399 603163439 /nfs/dbraw/zinc/16/34/39/603163439.db2.gz RPQXYFGSXKDGII-UHFFFAOYSA-N -1 0 376.482 2.511 20 30 GFEDRM N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000740323121 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603601717 /nfs/dbraw/zinc/60/17/17/603601717.db2.gz VIVGBZHLJXQUMO-QGZVFWFLSA-N -1 0 389.415 2.662 20 30 GFEDRM C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2CN(C)C(=O)[O-])c1=S ZINC000823522073 603607630 /nfs/dbraw/zinc/60/76/30/603607630.db2.gz RACORFXDIRXLLY-OAHLLOKOSA-N -1 0 388.497 2.694 20 30 GFEDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000824188976 603658783 /nfs/dbraw/zinc/65/87/83/603658783.db2.gz GAOPQJRCQQTNFH-MRXNPFEDSA-N -1 0 388.468 2.793 20 30 GFEDRM CCc1cc2oc(=O)cc(CN3CCN(C(=O)[O-])C[C@@H]3C#N)c2cc1Cl ZINC000827570064 603725313 /nfs/dbraw/zinc/72/53/13/603725313.db2.gz PVCUIDMXSVCSHU-ZDUSSCGKSA-N -1 0 375.812 2.697 20 30 GFEDRM C[C@H](OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-])C(=O)Nc1cccc(C#N)c1 ZINC000825553497 603810165 /nfs/dbraw/zinc/81/01/65/603810165.db2.gz YAYKBBXSJJOEQR-JFOHDYCDSA-N -1 0 385.420 2.740 20 30 GFEDRM C[C@@H](OC(=O)[C@H]1CCCCN1C(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000825561402 603815823 /nfs/dbraw/zinc/81/58/23/603815823.db2.gz 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GFEDRM COc1ccccc1[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)NC(=O)[O-] ZINC000829600117 604019849 /nfs/dbraw/zinc/01/98/49/604019849.db2.gz YBWMYORHZDLCHY-MRXNPFEDSA-N -1 0 386.383 2.514 20 30 GFEDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000825228208 604109635 /nfs/dbraw/zinc/10/96/35/604109635.db2.gz IUYKAJJTFOHNJS-HOCLYGCPSA-N -1 0 390.509 2.869 20 30 GFEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000831086432 604156285 /nfs/dbraw/zinc/15/62/85/604156285.db2.gz DTHBYEHCTXLUPF-OAHLLOKOSA-N -1 0 387.399 2.625 20 30 GFEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)C[C@H](Cc3ccccc3)NC(=O)[O-])nc21 ZINC000830610749 604189753 /nfs/dbraw/zinc/18/97/53/604189753.db2.gz AOWRTPAVGLLZQL-LSDHHAIUSA-N -1 0 377.404 2.712 20 30 GFEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000830511641 604221916 /nfs/dbraw/zinc/22/19/16/604221916.db2.gz KQOCQNXPJLZVPO-ZWKOTPCHSA-N -1 0 379.416 2.911 20 30 GFEDRM CN(C(=O)CN1CCC(N(CC2CC2)C(=O)[O-])CC1)C1(C#N)CCCCC1 ZINC000827764734 604227905 /nfs/dbraw/zinc/22/79/05/604227905.db2.gz HEJHRIWHKZUHST-UHFFFAOYSA-N -1 0 376.501 2.526 20 30 GFEDRM N#Cc1cnc2ccccc2c1OCCOC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000831161465 604253451 /nfs/dbraw/zinc/25/34/51/604253451.db2.gz BNVKKSAJSAQODO-HIFRSBDPSA-N -1 0 383.404 2.855 20 30 GFEDRM N#Cc1ccc(C(=O)N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)s1 ZINC000833071043 604345191 /nfs/dbraw/zinc/34/51/91/604345191.db2.gz UZNPZTXFCGGTNY-INIZCTEOSA-N -1 0 389.864 2.857 20 30 GFEDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000825252420 604350351 /nfs/dbraw/zinc/35/03/51/604350351.db2.gz DROHVHAUWMDYOB-LSDHHAIUSA-N -1 0 392.887 2.955 20 30 GFEDRM C=CCNc1ncc(C(=O)O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000825691853 604432751 /nfs/dbraw/zinc/43/27/51/604432751.db2.gz BFKNWTCXNZZKAZ-LLVKDONJSA-N -1 0 389.433 2.932 20 30 GFEDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000827012364 604443898 /nfs/dbraw/zinc/44/38/98/604443898.db2.gz 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CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CCCCC(=O)[O-] ZINC000814690568 604632780 /nfs/dbraw/zinc/63/27/80/604632780.db2.gz QJAPJBKCAJCMKZ-NSHDSACASA-N -1 0 385.442 2.839 20 30 GFEDRM C#CC[C@H](NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ccccc1 ZINC000833361142 604656182 /nfs/dbraw/zinc/65/61/82/604656182.db2.gz XHTCZXDWHKVZFS-SFHVURJKSA-N -1 0 379.416 2.777 20 30 GFEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000763371743 604669245 /nfs/dbraw/zinc/66/92/45/604669245.db2.gz KRCBDVMTAPBVEJ-UHFFFAOYSA-N -1 0 382.420 2.617 20 30 GFEDRM C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000833533091 604729425 /nfs/dbraw/zinc/72/94/25/604729425.db2.gz VWIYUJDLFAXKAE-AWEZNQCLSA-N -1 0 398.390 2.945 20 30 GFEDRM C#Cc1cccc(NC(=O)CN(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000825636460 604810264 /nfs/dbraw/zinc/81/02/64/604810264.db2.gz KRJXYOWDYWRXPD-CSKARUKUSA-N -1 0 379.372 2.749 20 30 GFEDRM C[C@@H](C(=O)[O-])n1cccc1C=NN1C(=S)N=NC1COc1ccc(F)cc1 ZINC000833408216 605039063 /nfs/dbraw/zinc/03/90/63/605039063.db2.gz YAHNPYNEVHLWEB-NSHDSACASA-N -1 0 389.412 2.614 20 30 GFEDRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000827539249 605072487 /nfs/dbraw/zinc/07/24/87/605072487.db2.gz PIVXGGDAHQEXPQ-GWCFXTLKSA-N -1 0 393.465 2.805 20 30 GFEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000833696897 605132325 /nfs/dbraw/zinc/13/23/25/605132325.db2.gz WWWZGSGZBUDXCE-UHFFFAOYSA-N -1 0 394.431 2.757 20 30 GFEDRM C[C@@H](NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])c1ccc(C#N)cc1 ZINC000833522585 605184275 /nfs/dbraw/zinc/18/42/75/605184275.db2.gz CKWPCWIJGSHLDT-GFCCVEGCSA-N -1 0 381.413 2.844 20 30 GFEDRM C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1OC ZINC000833377698 605273355 /nfs/dbraw/zinc/27/33/55/605273355.db2.gz JNFWZBOUXHKHRP-UHFFFAOYSA-N -1 0 385.372 2.997 20 30 GFEDRM N#CC(C(=O)C[C@H]1CSCCN1C(=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000831064492 605350091 /nfs/dbraw/zinc/35/00/91/605350091.db2.gz GYOXJHVDGZTNHA-STQMWFEESA-N -1 0 388.474 2.867 20 30 GFEDRM N#Cc1ccc(CNC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)c(F)c1 ZINC000833971834 605360316 /nfs/dbraw/zinc/36/03/16/605360316.db2.gz PIQRUTCPENTFIR-CQSZACIVSA-N -1 0 383.383 2.539 20 30 GFEDRM CCOC(=O)c1cnc(N=NC2CCC[C@H]2[C@H]2CCCN2C(=O)[O-])nc1C ZINC000833861914 605379677 /nfs/dbraw/zinc/37/96/77/605379677.db2.gz VMUUYSAPHZQIFU-IUODEOHRSA-N -1 0 375.429 2.672 20 30 GFEDRM N#Cc1ccc(OC2CCC(NC(=O)CC[C@H]3CCN(C(=O)[O-])C3)CC2)nc1 ZINC000833977416 605510803 /nfs/dbraw/zinc/51/08/03/605510803.db2.gz NRRHTVOURDFQDV-OOHWJJMZSA-N -1 0 386.452 2.540 20 30 GFEDRM N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CCN(C(=O)[O-])C3)c2)cc1 ZINC000833977652 605544755 /nfs/dbraw/zinc/54/47/55/605544755.db2.gz QXYFGWTXCHSYEI-KRWDZBQOSA-N -1 0 379.416 2.867 20 30 GFEDRM C#CCOc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833366620 605629643 /nfs/dbraw/zinc/62/96/43/605629643.db2.gz FPTCYXMKUXBJGE-UHFFFAOYSA-N -1 0 379.416 2.669 20 30 GFEDRM N#CCCCCS(=O)(=O)N[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833969884 605632411 /nfs/dbraw/zinc/63/24/11/605632411.db2.gz YDSUTWUZWLACEL-QGZVFWFLSA-N -1 0 375.450 2.762 20 30 GFEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])n2)c1 ZINC000833976925 605656691 /nfs/dbraw/zinc/65/66/91/605656691.db2.gz MAZYPFTXYMIZBZ-NJAFHUGGSA-N -1 0 393.447 2.876 20 30 GFEDRM O=C([O-])N1CCSC[C@@H]1CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000831406725 605669488 /nfs/dbraw/zinc/66/94/88/605669488.db2.gz ARQHTYNNKAQQRI-AWEZNQCLSA-N -1 0 386.395 2.659 20 30 GFEDRM N#CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000833968592 605739470 /nfs/dbraw/zinc/73/94/70/605739470.db2.gz LXJCNQPVIALDMX-QGZVFWFLSA-N -1 0 392.415 2.827 20 30 GFEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000833973606 605918921 /nfs/dbraw/zinc/91/89/21/605918921.db2.gz AQIVGHOVBBWQMM-IBGZPJMESA-N -1 0 391.431 2.597 20 30 GFEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3cnc(NC(=O)[O-])cn3)s2)cc1 ZINC000833973480 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C=CCOc1cccc(NC(=O)C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000736113748 600503788 /nfs/dbraw/zinc/50/37/88/600503788.db2.gz CXOJOUDZICVVKZ-UHFFFAOYSA-N -1 0 383.404 2.639 20 30 GFEDRM COc1ccc([C@H](CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)NC(C)=O)cc1 ZINC000737956816 600605541 /nfs/dbraw/zinc/60/55/41/600605541.db2.gz DJOSSKUERCHEAS-AZUAARDMSA-N -1 0 396.399 2.503 20 30 GFEDRM COC(=O)[C@@H](OC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC000737576048 600608104 /nfs/dbraw/zinc/60/81/04/600608104.db2.gz FYNIENFGENBSOQ-IBGZPJMESA-N -1 0 392.367 2.669 20 30 GFEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C(=O)[O-])cc1 ZINC000739115645 600608118 /nfs/dbraw/zinc/60/81/18/600608118.db2.gz USBAUUQKUYVODJ-QZTJIDSGSA-N -1 0 394.383 2.658 20 30 GFEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(N)cc1OC(F)F ZINC000737861742 600611682 /nfs/dbraw/zinc/61/16/82/600611682.db2.gz DYTQWPPOOGHHKC-HNNXBMFYSA-N -1 0 392.314 2.733 20 30 GFEDRM CCCS(=O)(=O)c1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 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ZINC000832835895 601345888 /nfs/dbraw/zinc/34/58/88/601345888.db2.gz OSNKDPCOPQVIMJ-SUMWQHHRSA-N -1 0 382.372 2.542 20 30 GFEDRM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cn2)n1 ZINC000832879459 601348435 /nfs/dbraw/zinc/34/84/35/601348435.db2.gz JEOGPGIVNQIHKJ-GOSISDBHSA-N -1 0 376.372 2.739 20 30 GFEDRM N#Cc1cccc([C@@H](OC(=O)c2cccnc2OCC(F)(F)F)C(=O)[O-])c1 ZINC000833075674 601348646 /nfs/dbraw/zinc/34/86/46/601348646.db2.gz DADVADSZKFWKMA-CYBMUJFWSA-N -1 0 380.278 2.877 20 30 GFEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833064987 601386035 /nfs/dbraw/zinc/38/60/35/601386035.db2.gz PRIWBHYMBAVGMM-ZIAGYGMSSA-N -1 0 376.459 2.907 20 30 GFEDRM O=C([O-])c1csc(S(=O)(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000833344103 601521370 /nfs/dbraw/zinc/52/13/70/601521370.db2.gz AQGFTUYDRCKVCO-UHFFFAOYSA-N -1 0 389.376 2.795 20 30 GFEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000826027663 601610986 /nfs/dbraw/zinc/61/09/86/601610986.db2.gz 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C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc(S(C)(=O)=O)c(F)c2)cc1)C(=O)[O-] ZINC000827884486 602112791 /nfs/dbraw/zinc/11/27/91/602112791.db2.gz LBFHUGCOPVCMLX-BIPYJSMBSA-N -1 0 392.404 2.977 20 30 GFEDRM N#Cc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3CNC(=O)[O-])o2)cc1 ZINC000740319760 602250002 /nfs/dbraw/zinc/25/00/02/602250002.db2.gz XYSXHRJRFPZASI-HNNXBMFYSA-N -1 0 383.404 2.993 20 30 GFEDRM C#Cc1ccc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCCN3C(=O)[O-])c2)nc1 ZINC000738466669 602336188 /nfs/dbraw/zinc/33/61/88/602336188.db2.gz FJQBJNNORDHCRG-QGZVFWFLSA-N -1 0 393.399 2.614 20 30 GFEDRM C#Cc1ccc(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)[O-])c2)cn1 ZINC000738467125 602336390 /nfs/dbraw/zinc/33/63/90/602336390.db2.gz JENROBQRMIABJM-SFHVURJKSA-N -1 0 393.399 2.614 20 30 GFEDRM C=CCNC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])cc1 ZINC000738495250 602365638 /nfs/dbraw/zinc/36/56/38/602365638.db2.gz KBJWHSMNERCTHP-KRWDZBQOSA-N -1 0 382.420 2.812 20 30 GFEDRM CN(C[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739637698 602379632 /nfs/dbraw/zinc/37/96/32/602379632.db2.gz QSPXCYHKJZIDEF-UONOGXRCSA-N -1 0 386.477 2.794 20 30 GFEDRM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)OC[C@H]2CCCN2C(=O)[O-])cc1 ZINC000738596111 602411357 /nfs/dbraw/zinc/41/13/57/602411357.db2.gz FZLPKSQFMHJIHU-XJKSGUPXSA-N -1 0 388.424 2.609 20 30 GFEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000740028067 602430458 /nfs/dbraw/zinc/43/04/58/602430458.db2.gz CMISFAFDAZWUIU-YUNKPMOVSA-N -1 0 388.468 2.541 20 30 GFEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1CNC(=O)[O-] ZINC000738603464 602647806 /nfs/dbraw/zinc/64/78/06/602647806.db2.gz PRKCFKTYHHZIDU-LSDHHAIUSA-N -1 0 390.509 2.999 20 30 GFEDRM N#CCc1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])cc1 ZINC000740311534 602655949 /nfs/dbraw/zinc/65/59/49/602655949.db2.gz VRCCOJKVTZCXIG-XIRDDKMYSA-N -1 0 385.420 2.545 20 30 GFEDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000739011291 602693628 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C=C(C)Cn1c(SCC(=O)N[C@@](C)(CC)C(=O)[O-])nnc1-c1ccco1 ZINC000825647418 602242012 /nfs/dbraw/zinc/24/20/12/602242012.db2.gz MTWAQKIEMXERIH-KRWDZBQOSA-N -1 0 378.454 2.576 20 30 GFEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738639797 602399616 /nfs/dbraw/zinc/39/96/16/602399616.db2.gz SMWVJFIELCBXEJ-STQMWFEESA-N -1 0 390.509 2.757 20 30 GFEDRM CN(CC1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000739661781 602408046 /nfs/dbraw/zinc/40/80/46/602408046.db2.gz XSSWBOSGWRLKEN-UHFFFAOYSA-N -1 0 392.887 2.908 20 30 GFEDRM C=CCN1C(=O)c2ccc(-c3nc(C4(NC(=O)[O-])CCCC4)no3)cc2C1=O ZINC000738492887 602411219 /nfs/dbraw/zinc/41/12/19/602411219.db2.gz VHMUBHZLLHXKGF-UHFFFAOYSA-N -1 0 382.376 2.556 20 30 GFEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000740067831 602449809 /nfs/dbraw/zinc/44/98/09/602449809.db2.gz VJMYNMJHGDOXNF-KRWDZBQOSA-N -1 0 386.496 2.918 20 30 GFEDRM CN(C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1)C(=O)[O-] ZINC000739656928 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