smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000051012106 526322416 /nfs/dbraw/zinc/32/24/16/526322416.db2.gz GZJNJERKZOBKPS-IDUWFGFVSA-N -1 0 410.069 4.240 40 30 HIEBRM O=C([O-])c1ccccc1C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000005584432 557663423 /nfs/dbraw/zinc/66/34/23/557663423.db2.gz QAESADKUXUISOU-ZBJSNUHESA-N -1 0 406.354 4.066 40 30 HIEBRM O=C([O-])C[C@H]1S[C@H](c2ccccc2Cl)N(/N=C\c2ccccc2Cl)C1=O ZINC000005663043 557667200 /nfs/dbraw/zinc/66/72/00/557667200.db2.gz MGUGVACYUTUXBZ-MXPVVLAWSA-N -1 0 409.294 4.445 40 30 HIEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(-c4ccccc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408757998 558822541 /nfs/dbraw/zinc/82/25/41/558822541.db2.gz FKJHVYDGPNUKJL-QEMKNDADSA-N -1 0 413.502 4.428 40 30 HIEBRM C[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N=C1c1c([O-])c2ccccc2oc1=O ZINC000104269244 559159629 /nfs/dbraw/zinc/15/96/29/559159629.db2.gz PFEHTPBUONTSDE-GAUIZKDXSA-N -1 0 411.870 4.467 40 30 HIEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC ZINC000408768853 560638820 /nfs/dbraw/zinc/63/88/20/560638820.db2.gz KHLBIHPMDBVNEA-XSFVSMFZSA-N -1 0 404.466 4.097 40 30 HIEBRM CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C(=O)[O-])cc2)NC1=O ZINC000408809583 560643833 /nfs/dbraw/zinc/64/38/33/560643833.db2.gz HCSCQIVPRIVRSE-YBEGLDIGSA-N -1 0 402.859 4.329 40 30 HIEBRM C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1Cl ZINC000408877518 560649487 /nfs/dbraw/zinc/64/94/87/560649487.db2.gz WOQKCQBBJXLORX-VBKFSLOCSA-N -1 0 410.857 4.134 40 30 HIEBRM CCN1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408907865 560652654 /nfs/dbraw/zinc/65/26/54/560652654.db2.gz PPAMHTIZABQHMS-OUYOUGTCSA-N -1 0 413.455 4.241 40 30 HIEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OC ZINC000408981753 560661022 /nfs/dbraw/zinc/66/10/22/560661022.db2.gz BIJXYKSJRCSFKI-BOPFTXTBSA-N -1 0 410.857 4.052 40 30 HIEBRM C#CCN1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O ZINC000409050382 560669931 /nfs/dbraw/zinc/66/99/31/560669931.db2.gz VEQLCCBHPLQGPW-UDWIEESQSA-N -1 0 416.458 4.057 40 30 HIEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OC ZINC000409057921 560670665 /nfs/dbraw/zinc/67/06/65/560670665.db2.gz LWXBNWMXELMFBN-ZIKOHYJISA-N -1 0 412.467 4.026 40 30 HIEBRM COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385061 560717690 /nfs/dbraw/zinc/71/76/90/560717690.db2.gz IMSGLRBNJHKLKH-FSJBWODESA-N -1 0 408.410 4.274 40 30 HIEBRM COC(=O)c1cccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)c1C ZINC000409385895 560719826 /nfs/dbraw/zinc/71/98/26/560719826.db2.gz OEFFWUYNUYSWFN-WYMPLXKRSA-N -1 0 423.421 4.411 40 30 HIEBRM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000113833638 560805118 /nfs/dbraw/zinc/80/51/18/560805118.db2.gz OIPMJTBTMYCEKE-QNGOZBTKSA-N -1 0 412.445 4.067 40 30 HIEBRM Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000013477542 560810982 /nfs/dbraw/zinc/81/09/82/560810982.db2.gz KUWRPPIAELNLFS-OCKHKDLRSA-N -1 0 413.415 4.450 40 30 HIEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC ZINC000059135571 568701245 /nfs/dbraw/zinc/70/12/45/568701245.db2.gz PDVMQWYYLBIIQV-GZTJUZNOSA-N -1 0 410.401 4.078 40 30 HIEBRM CCCCCCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1OC ZINC000012198989 569291550 /nfs/dbraw/zinc/29/15/50/569291550.db2.gz BUMBPZXAUSHHMQ-SRZZPIQSSA-N -1 0 402.442 4.436 40 30 HIEBRM CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1OCC ZINC000033665267 569362400 /nfs/dbraw/zinc/36/24/00/569362400.db2.gz MZMDRKHRUSMYAP-IBLJXFIWSA-N -1 0 403.529 4.316 40 30 HIEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OC(C)C)c(OC)c3)SC2=N)s1 ZINC000033899652 569362468 /nfs/dbraw/zinc/36/24/68/569362468.db2.gz ALMXJMVKDMJWNK-OFDIPOHZSA-N -1 0 403.529 4.314 40 30 HIEBRM C=CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408618627 557535238 /nfs/dbraw/zinc/53/52/38/557535238.db2.gz KREXKYMFCZYHPS-UHFFFAOYSA-N -1 0 408.479 4.305 40 30 HIEBRM C#CCOc1c(Cl)cc(C=C(Sc2n[nH]c(CCC)n2)C(=O)[O-])cc1OCC ZINC000408633135 557585985 /nfs/dbraw/zinc/58/59/85/557585985.db2.gz WHBQHABRZPQRQH-PTNGSMBKSA-N -1 0 421.906 4.039 40 30 HIEBRM CC[C@H](C)C(C1=C([O-])c2ccccc2C(=O)C1=O)=C1C(=O)c2ccccc2C(=O)C1O ZINC000104094892 559157929 /nfs/dbraw/zinc/15/79/29/559157929.db2.gz VCQOHNLQNTWXMY-LBPRGKRZSA-N -1 0 416.429 4.431 40 30 HIEBRM CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408792347 560642045 /nfs/dbraw/zinc/64/20/45/560642045.db2.gz ARLKPEMVBFYQAT-UVOXWLTBSA-N -1 0 407.495 4.219 40 30 HIEBRM CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(C(=O)[O-])c2)NC1=O ZINC000408811816 560644049 /nfs/dbraw/zinc/64/40/49/560644049.db2.gz LYYSHZGBTHQWHY-YBEGLDIGSA-N -1 0 402.859 4.329 40 30 HIEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O ZINC000408811120 560644085 /nfs/dbraw/zinc/64/40/85/560644085.db2.gz KEJHGPPZHFCSRJ-QGOAFFKASA-N -1 0 410.857 4.134 40 30 HIEBRM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408852444 560646876 /nfs/dbraw/zinc/64/68/76/560646876.db2.gz KXENJLXVQQBVTO-LSFURLLWSA-N -1 0 413.821 4.195 40 30 HIEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000408903639 560652426 /nfs/dbraw/zinc/65/24/26/560652426.db2.gz VGHUAQHSKXRPQL-XSFVSMFZSA-N -1 0 416.408 4.210 40 30 HIEBRM O=[N+]([O-])c1ccc([O-])c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 ZINC000409034536 560668702 /nfs/dbraw/zinc/66/87/02/560668702.db2.gz ODXPAWLHFVULET-HCDFXORVSA-N -1 0 415.221 4.274 40 30 HIEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cccc3ccccc32)C2=C1CCCC2=O ZINC000409210295 560694705 /nfs/dbraw/zinc/69/47/05/560694705.db2.gz JDTDMVBDFIWSIQ-UHFFFAOYSA-N -1 0 401.462 4.338 40 30 HIEBRM C=CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000409244934 560701254 /nfs/dbraw/zinc/70/12/54/560701254.db2.gz KRSOYFCVNWFVDM-FOWTUZBSSA-N -1 0 421.909 4.312 40 30 HIEBRM CN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000409250049 560702119 /nfs/dbraw/zinc/70/21/19/560702119.db2.gz LAZVFQULIDSTCK-NPPZMEKISA-N -1 0 403.463 4.409 40 30 HIEBRM CCOc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000100510737 560725456 /nfs/dbraw/zinc/72/54/56/560725456.db2.gz KOCVKGYKBLJEPK-CLCOLTQESA-N -1 0 405.483 4.399 40 30 in-vitro HIEBRM COCc1cc(C)nc(N=NCc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)c1C#N ZINC000013139990 560802278 /nfs/dbraw/zinc/80/22/78/560802278.db2.gz VAENRGVUISGSIU-VROXFSQNSA-N -1 0 424.844 4.466 40 30 HIEBRM O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000020060655 560880404 /nfs/dbraw/zinc/88/04/04/560880404.db2.gz KNGPQDLOTKUIAX-BUVRLJJBSA-N -1 0 403.463 4.492 40 30 HIEBRM CN(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1Br ZINC000137680886 569363083 /nfs/dbraw/zinc/36/30/83/569363083.db2.gz IOFRGOKKKSHRSN-GKXUXJLGSA-N -1 0 408.346 4.389 40 30 HIEBRM CCCc1nc(SC(=Cc2ccccc2OCc2ccccc2C#N)C(=O)[O-])n[nH]1 ZINC000408633265 569386136 /nfs/dbraw/zinc/38/61/36/569386136.db2.gz XJCSDIPFCULCHC-UNOMPAQXSA-N -1 0 420.494 4.426 40 30 HIEBRM CCCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])cc1OC ZINC000032115303 519913923 /nfs/dbraw/zinc/91/39/23/519913923.db2.gz XURQAANGNBMWOG-CIAFOILYSA-N -1 0 401.419 4.197 40 30 HIEBRM C[C@H](Oc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)[O-] ZINC000033746722 525926120 /nfs/dbraw/zinc/92/61/20/525926120.db2.gz XPXQYTMSYFEEPC-RCEBRVLHSA-N -1 0 402.859 4.084 40 30 HIEBRM Cn1c2ccccc2[nH]c1=NN=Cc1cc(Br)cc(Br)c1[O-] ZINC000408657788 557640962 /nfs/dbraw/zinc/64/09/62/557640962.db2.gz NOMRIQNBJXSAJZ-QGMBQPNBSA-N -1 0 424.096 4.250 40 30 HIEBRM O=C([O-])C[C@H]1S[C@@H](c2ccccc2Cl)N(/N=C\c2ccccc2Cl)C1=O ZINC000005663041 557667205 /nfs/dbraw/zinc/66/72/05/557667205.db2.gz MGUGVACYUTUXBZ-UTIBPUFGSA-N -1 0 409.294 4.445 40 30 HIEBRM Cc1cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c([O-])c([N+](=O)[O-])c1 ZINC000006275714 557697403 /nfs/dbraw/zinc/69/74/03/557697403.db2.gz HBZBTNXUGQNDLD-FOKLQQMPSA-N -1 0 409.364 4.215 40 30 HIEBRM C/C(=N\[O-])C(=O)c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 ZINC000006317232 557699131 /nfs/dbraw/zinc/69/91/31/557699131.db2.gz DAPVDQLKGCZLLJ-BUVRLJJBSA-N -1 0 403.390 4.158 40 30 HIEBRM [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 ZINC000006926331 557730358 /nfs/dbraw/zinc/73/03/58/557730358.db2.gz KKBZGQCAEJMBCQ-SRZZPIQSSA-N -1 0 409.711 4.391 40 30 HIEBRM CC(C)(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408741029 557806554 /nfs/dbraw/zinc/80/65/54/557806554.db2.gz JJWBVAXNOHSKAS-FZJZADEZSA-N -1 0 413.930 4.404 40 30 HIEBRM O=C([O-])COc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000408748513 557812944 /nfs/dbraw/zinc/81/29/44/557812944.db2.gz DHQTXYMRXGJKHY-VIZOYTHASA-N -1 0 423.277 4.348 40 30 HIEBRM C/C(=N\c1ccc2c(c1)C(=O)c1ccccc1C2=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100362586 559134427 /nfs/dbraw/zinc/13/44/27/559134427.db2.gz RTRMUIZOGNKZRF-MZJWZYIUSA-N -1 0 422.440 4.160 40 30 HIEBRM CC(C)(C)c1ccc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)cc1 ZINC000004945438 560617026 /nfs/dbraw/zinc/61/70/26/560617026.db2.gz DVPCOODCRFDZCI-UHFFFAOYSA-N -1 0 413.524 4.195 40 30 HIEBRM CN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000408790810 560641607 /nfs/dbraw/zinc/64/16/07/560641607.db2.gz ZCKHXSASEFUQGG-JWZYGLHISA-N -1 0 411.483 4.202 40 30 HIEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1CC=C ZINC000408786903 560641767 /nfs/dbraw/zinc/64/17/67/560641767.db2.gz XFJXPPFPLNLRTC-RCCKNPSSSA-N -1 0 416.477 4.263 40 30 HIEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1Cl ZINC000408803953 560643097 /nfs/dbraw/zinc/64/30/97/560643097.db2.gz VCTLVRUMTCDHNB-SFQUDFHCSA-N -1 0 410.857 4.134 40 30 HIEBRM CCc1ccccc1/N=C1\S/C(=C/c2cccc(OCC(=O)[O-])c2)C(=O)N1CC ZINC000408909215 560652845 /nfs/dbraw/zinc/65/28/45/560652845.db2.gz GPCYHAWMVYODSL-NMSSZPRHSA-N -1 0 410.495 4.336 40 30 HIEBRM CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(CC(=O)[O-])c4ccccc34)S2)cc1 ZINC000408951711 560656976 /nfs/dbraw/zinc/65/69/76/560656976.db2.gz JUBYTKRNNGBKMF-YBFXNURJSA-N -1 0 421.478 4.016 40 30 HIEBRM O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000409090174 560675163 /nfs/dbraw/zinc/67/51/63/560675163.db2.gz LXMMMPRCQFLHTC-WDZFZDKYSA-N -1 0 423.060 4.262 40 30 HIEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)S2)cc1 ZINC000409106035 560678545 /nfs/dbraw/zinc/67/85/45/560678545.db2.gz MDXROCZEZNIOJX-UYRXBGFRSA-N -1 0 403.463 4.376 40 30 HIEBRM O=C([O-])Cn1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000409106119 560678546 /nfs/dbraw/zinc/67/85/46/560678546.db2.gz MDNFAYRJMWEYGP-GZIVZEMBSA-N -1 0 406.320 4.099 40 30 HIEBRM CCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)[O-])c(OCC)c2)cc1 ZINC000409210363 560694824 /nfs/dbraw/zinc/69/48/24/560694824.db2.gz KLWIRHZASKMZBY-SRZZPIQSSA-N -1 0 422.275 4.461 40 30 HIEBRM CCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cc1 ZINC000409385429 560717851 /nfs/dbraw/zinc/71/78/51/560717851.db2.gz LSYVWHDYKKKWRD-ZMOGYAJESA-N -1 0 423.421 4.493 40 30 HIEBRM C/C(=N/OCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-])c1cccs1 ZINC000006691706 568457507 /nfs/dbraw/zinc/45/75/07/568457507.db2.gz OWCXDWJGPLJSSE-KQWNVCNZSA-N -1 0 408.479 4.420 40 30 HIEBRM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)ccc1OCC#N ZINC000059136358 568701456 /nfs/dbraw/zinc/70/14/56/568701456.db2.gz JBVOMHYKGDKVQG-DTQAZKPQSA-N -1 0 421.453 4.128 40 30 HIEBRM C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000005373779 568965131 /nfs/dbraw/zinc/96/51/31/568965131.db2.gz XZNSRDWLIRRZIW-YVLHZVERSA-N -1 0 413.476 4.061 40 30 HIEBRM CCn1c2ccccc2c([O-])c(C(C)=NC2=C(C)N(C)[C@@H](c3ccccc3)C2=O)c1=O ZINC000103541926 569048596 /nfs/dbraw/zinc/04/85/96/569048596.db2.gz LBFJXSXFWMBDJT-WGLQLPMYSA-N -1 0 415.493 4.023 40 30 HIEBRM N#Cc1ccccc1Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21 ZINC000016488425 569055996 /nfs/dbraw/zinc/05/59/96/569055996.db2.gz JRIDRPVKVMICBQ-UCQKPKSFSA-N -1 0 418.456 4.023 40 30 HIEBRM COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])c2C#N)cc1 ZINC000035897663 569064859 /nfs/dbraw/zinc/06/48/59/569064859.db2.gz XBAKCWBZIKJPHO-CFGMGRTJSA-N -1 0 408.479 4.065 40 30 HIEBRM Cc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)c(Cl)c3)nc2C(=O)[O-])cc1 ZINC000409195314 569386833 /nfs/dbraw/zinc/38/68/33/569386833.db2.gz HJJHOZQCBKNXOR-NTMALXAHSA-N -1 0 405.841 4.243 40 30 HIEBRM CCOc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1OC(=O)c1ccccc1 ZINC000036118580 520647036 /nfs/dbraw/zinc/64/70/36/520647036.db2.gz MPGVZRQJFBDTLE-IWIPYMOSSA-N -1 0 404.422 4.449 40 30 HIEBRM CCOc1ccc(C(=O)[O-])cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408528955 557294060 /nfs/dbraw/zinc/29/40/60/557294060.db2.gz FXMJFBNMPWCCMV-YBEGLDIGSA-N -1 0 402.859 4.329 40 30 HIEBRM Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000002067205 557306225 /nfs/dbraw/zinc/30/62/25/557306225.db2.gz KUWRPPIAELNLFS-DJKKODMXSA-N -1 0 413.415 4.450 40 30 HIEBRM 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COc1cc([N+](=O)[O-])cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1[O-] ZINC000409237127 560699341 /nfs/dbraw/zinc/69/93/41/560699341.db2.gz JFWJXCMNVVOATI-VIZOYTHASA-N -1 0 419.846 4.162 40 30 HIEBRM C[C@@H](Oc1cccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1)C(=O)[O-] ZINC000409308966 560708361 /nfs/dbraw/zinc/70/83/61/560708361.db2.gz ZRAJKKXWKRJXHP-MRXNPFEDSA-N -1 0 419.481 4.178 40 30 HIEBRM Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)S1 ZINC000059247824 568703159 /nfs/dbraw/zinc/70/31/59/568703159.db2.gz SQFQQDBFWKKVHV-AXIYWZQUSA-N -1 0 416.886 4.392 40 30 HIEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(OC)c(OC)cc3Cl)SC2=N)s1 ZINC000137565028 569363077 /nfs/dbraw/zinc/36/30/77/569363077.db2.gz KMLBMEDTHOKBTI-HQKXLMHDSA-N -1 0 409.920 4.189 40 30 HIEBRM CCCc1nc(SC(=Cc2ccccc2OCc2ccc(C#N)cc2)C(=O)[O-])n[nH]1 ZINC000408630869 569386159 /nfs/dbraw/zinc/38/61/59/569386159.db2.gz DJWYOATZCAQENG-UNOMPAQXSA-N -1 0 420.494 4.426 40 30 HIEBRM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 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/nfs/dbraw/zinc/64/15/93/560641593.db2.gz MVOHACZXNNOHDE-JPFXZVHCSA-N -1 0 424.522 4.041 40 30 HIEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1Cl ZINC000408810387 560644004 /nfs/dbraw/zinc/64/40/04/560644004.db2.gz PJEKXDKGLUSPGH-LFIBNONCSA-N -1 0 410.857 4.188 40 30 HIEBRM C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000408811706 560644074 /nfs/dbraw/zinc/64/40/74/560644074.db2.gz OENBCPHFFXNSRM-RCCKNPSSSA-N -1 0 424.456 4.135 40 30 HIEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)c(C)c1 ZINC000408845505 560646446 /nfs/dbraw/zinc/64/64/46/560646446.db2.gz HKHQXBXPGMKGLP-MFOYZWKCSA-N -1 0 416.886 4.312 40 30 HIEBRM CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409067176 560672497 /nfs/dbraw/zinc/67/24/97/560672497.db2.gz JTAYTHNVSMLUOZ-CZZIWQEQSA-N -1 0 411.439 4.225 40 30 HIEBRM CCOC(=O)c1cccc(/N=C\c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)c1 ZINC000409384819 560717701 /nfs/dbraw/zinc/71/77/01/560717701.db2.gz DQLNDHXFHDRXHS-CFRMEGHHSA-N -1 0 423.421 4.493 40 30 HIEBRM O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000100056046 560723675 /nfs/dbraw/zinc/72/36/75/560723675.db2.gz XEAGZKIDXUXCFE-CIAFOILYSA-N -1 0 416.300 4.396 40 30 HIEBRM Oc1ccc(Cl)cc1C=NNc1nnc2c3cc(Br)ccc3nc-2[n-]1 ZINC000013382162 560806131 /nfs/dbraw/zinc/80/61/31/560806131.db2.gz JGWNQCUTUZLPOS-FBCYGCLPSA-N -1 0 417.654 4.074 40 30 HIEBRM O=C([O-])COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc1Cl ZINC000059678522 568709797 /nfs/dbraw/zinc/70/97/97/568709797.db2.gz USOSODFXDQHITL-CHHVJCJISA-N -1 0 423.277 4.348 40 30 HIEBRM Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)S1 ZINC000059678796 568709949 /nfs/dbraw/zinc/70/99/49/568709949.db2.gz MZEZGBJIQMIDEJ-HJPCULJESA-N -1 0 416.886 4.392 40 30 HIEBRM C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CC[C@H](O)[C@@](C)(COC(=O)CCC(=O)[O-])[C@@H]1CC3 ZINC000017005169 569005512 /nfs/dbraw/zinc/00/55/12/569005512.db2.gz QRCWTENDAKYOOH-UODVBWDXSA-N -1 0 404.547 4.334 40 30 HIEBRM O=C([O-])c1ccc(Cn2cc(/C=N\NC(=S)Nc3ccccc3)c3ccccc32)o1 ZINC000408542783 557360162 /nfs/dbraw/zinc/36/01/62/557360162.db2.gz NVLLSSCGVVZOED-FMCGGJTJSA-N -1 0 418.478 4.301 40 30 HIEBRM O=c1c(N=Nc2ccc(Br)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000004712268 557585889 /nfs/dbraw/zinc/58/58/89/557585889.db2.gz PFQQBOPTBNTYDU-XKZIYDEJSA-N -1 0 411.181 4.182 40 30 HIEBRM O=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2Cl)c1[O-] ZINC000006861740 557727462 /nfs/dbraw/zinc/72/74/62/557727462.db2.gz JGDGRPZFMLGHHF-FRKPEAEDSA-N -1 0 402.575 4.309 40 30 HIEBRM O=C([O-])COc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 ZINC000408749092 557813223 /nfs/dbraw/zinc/81/32/23/557813223.db2.gz LFXGWRZXKHKVGU-VIZOYTHASA-N -1 0 423.277 4.348 40 30 HIEBRM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000085409801 559056853 /nfs/dbraw/zinc/05/68/53/559056853.db2.gz FQZOYTPPZNPKAY-INIZCTEOSA-N -1 0 412.492 4.386 40 30 HIEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OC)c(Br)c3)SC2=N)s1 ZINC000136327191 559290333 /nfs/dbraw/zinc/29/03/33/559290333.db2.gz QQVMFUIIOMMBEK-YKWRUIJSSA-N -1 0 424.345 4.289 40 30 HIEBRM CC/N=C1\S/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N1CC ZINC000408857278 560647414 /nfs/dbraw/zinc/64/74/14/560647414.db2.gz UACYHQDRDCDIGZ-CUNLUVCHSA-N -1 0 410.495 4.276 40 30 HIEBRM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O ZINC000409042075 560669064 /nfs/dbraw/zinc/66/90/64/560669064.db2.gz XJGWTULRZRUESL-UHFFFAOYSA-N -1 0 423.509 4.162 40 30 HIEBRM C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000409045096 560669320 /nfs/dbraw/zinc/66/93/20/560669320.db2.gz HQLNLJCXYBRFMT-XNTDXEJSSA-N -1 0 417.248 4.225 40 30 HIEBRM CCOc1c(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cccc1OC ZINC000409062149 560671822 /nfs/dbraw/zinc/67/18/22/560671822.db2.gz OLHRIMIZQQXSRR-RTPPHFGYSA-N -1 0 412.467 4.026 40 30 HIEBRM O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Cl)c([O-])c([N+](=O)[O-])c1 ZINC000409407561 560722432 /nfs/dbraw/zinc/72/24/32/560722432.db2.gz UODMUXLWPNMLGJ-UHFFFAOYSA-N -1 0 420.812 4.213 40 30 HIEBRM Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)c1C ZINC000007043464 560749357 /nfs/dbraw/zinc/74/93/57/560749357.db2.gz UZUUKXYXAHOIPC-MFOYZWKCSA-N -1 0 416.886 4.312 40 30 HIEBRM Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3[O-])S2)c1 ZINC000059426851 568706431 /nfs/dbraw/zinc/70/64/31/568706431.db2.gz DXZDVHXZNCWWPM-VIZOYTHASA-N -1 0 403.847 4.462 40 30 HIEBRM C=CCc1cc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc(OC)c1OCC(=O)[O-] ZINC000059679187 568709783 /nfs/dbraw/zinc/70/97/83/568709783.db2.gz ZIUIXYBYYQYTEJ-FOKLQQMPSA-N -1 0 417.845 4.078 40 30 HIEBRM N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000225773375 568781581 /nfs/dbraw/zinc/78/15/81/568781581.db2.gz JWNVSQZZZYZRNF-BPQIPLTHSA-N -1 0 406.507 4.498 40 30 HIEBRM COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1[N+](=O)[O-] ZINC000033855217 569351468 /nfs/dbraw/zinc/35/14/68/569351468.db2.gz RURANDSDEMQNBX-SOFGYWHQSA-N -1 0 422.353 4.052 40 30 HIEBRM COc1cccc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1O ZINC000008210693 569362072 /nfs/dbraw/zinc/36/20/72/569362072.db2.gz BOYXEKXXAOPQRS-REZTVBANSA-N -1 0 401.054 4.382 40 30 HIEBRM N=C1SC(=Cc2cc3c(cc2Br)OCO3)C([O-])=C1c1nccs1 ZINC000108276706 569362919 /nfs/dbraw/zinc/36/29/19/569362919.db2.gz UFFXDYDNMFTRNB-QCZGZWRVSA-N -1 0 409.286 4.052 40 30 HIEBRM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000101574167 520890874 /nfs/dbraw/zinc/89/08/74/520890874.db2.gz VLTZBCSODGHKBY-PMACEKPBSA-N -1 0 421.298 4.231 40 30 HIEBRM O=C([O-])COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000408532216 557312542 /nfs/dbraw/zinc/31/25/42/557312542.db2.gz STUNPNPFUMYAGG-NVNXTCNLSA-N -1 0 423.277 4.348 40 30 HIEBRM COc1c2occc2c(OC)c(C(=O)C(=NNc2cccc(Cl)c2)C(C)=O)c1[O-] ZINC000016958746 558810386 /nfs/dbraw/zinc/81/03/86/558810386.db2.gz PRSJHWCESHTWJE-HZHRSRAPSA-N -1 0 416.817 4.049 40 30 HIEBRM Cc1cc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1I ZINC000408847826 560646684 /nfs/dbraw/zinc/64/66/84/560646684.db2.gz SKPJQBZDBDKFRO-FGHSJCFPSA-N -1 0 409.223 4.202 40 30 HIEBRM C=CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408877817 560649628 /nfs/dbraw/zinc/64/96/28/560649628.db2.gz XDBJFPWEEWCHLQ-HKWRFOASSA-N -1 0 414.486 4.236 40 30 HIEBRM C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=S ZINC000408961305 560658154 /nfs/dbraw/zinc/65/81/54/560658154.db2.gz RFNZVPHAUUHNNO-PDGQHHTCSA-N -1 0 411.504 4.351 40 30 HIEBRM CCCOc1ccccc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409073603 560673607 /nfs/dbraw/zinc/67/36/07/560673607.db2.gz WIJHDUQEDVZMKP-UHFFFAOYSA-N -1 0 423.509 4.364 40 30 HIEBRM C=CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c2ccccc21 ZINC000409238493 560699493 /nfs/dbraw/zinc/69/94/93/560699493.db2.gz DRNHXCVNBINRIT-CPNJWEJPSA-N -1 0 415.518 4.275 40 30 HIEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1O ZINC000059135600 568701081 /nfs/dbraw/zinc/70/10/81/568701081.db2.gz NHZIKALQKPLQJF-GZTJUZNOSA-N -1 0 410.401 4.165 40 30 HIEBRM CCOC(=O)C(C#N)=N[N-]c1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000003050087 568849958 /nfs/dbraw/zinc/84/99/58/568849958.db2.gz PDVKIFPNOXDHAN-LFVJCYFKSA-N -1 0 405.241 4.100 40 30 HIEBRM C=CCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000006304054 568967433 /nfs/dbraw/zinc/96/74/33/568967433.db2.gz JKKCKDBGPCYAOJ-PDGQHHTCSA-N -1 0 405.841 4.147 40 30 HIEBRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020490308 569018791 /nfs/dbraw/zinc/01/87/91/569018791.db2.gz RICCZECXQXKEDO-UHFFFAOYSA-N -1 0 408.479 4.196 40 30 HIEBRM C=CCc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(OCC)c1O ZINC000033400875 569362323 /nfs/dbraw/zinc/36/23/23/569362323.db2.gz UFUMVEQXZLBHPR-MEHUPPJJSA-N -1 0 415.540 4.351 40 30 HIEBRM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccccc2)c(C#N)c1-c1ccccc1 ZINC000409120418 569386528 /nfs/dbraw/zinc/38/65/28/569386528.db2.gz UHDZUDLIEDVSPE-UHFFFAOYSA-N -1 0 412.492 4.264 40 30 HIEBRM CCOc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(Cl)cc3)c(C#N)c2=O)cc1 ZINC000409200345 569386687 /nfs/dbraw/zinc/38/66/87/569386687.db2.gz RMPQMEHTOYGESY-XGICHPGQSA-N -1 0 421.840 4.025 40 30 HIEBRM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccccc2N2CCOCC2)c1[O-] ZINC000032115465 527331592 /nfs/dbraw/zinc/33/15/92/527331592.db2.gz UGSOZNUUHWVBKD-KOEQRZSOSA-N -1 0 417.465 4.478 40 30 HIEBRM O=S(=O)([N-]/N=C/c1cc(Cl)ccc1O)c1cc(Cl)c(Cl)cc1Cl ZINC000001657208 557279243 /nfs/dbraw/zinc/27/92/43/557279243.db2.gz CVECOZAJZRETHT-NGYBGAFCSA-N -1 0 414.097 4.318 40 30 HIEBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408535765 557333776 /nfs/dbraw/zinc/33/37/76/557333776.db2.gz ORGFSJJYFQWUBT-LBPRGKRZSA-N -1 0 410.644 4.248 40 30 HIEBRM C[C@H]1S/C(=N\N=C/c2ccc(Cl)cc2)N=C1c1c([O-])c2ccccc2oc1=O ZINC000005760819 557673599 /nfs/dbraw/zinc/67/35/99/557673599.db2.gz PFEHTPBUONTSDE-GMVQIQQSSA-N -1 0 411.870 4.467 40 30 HIEBRM CCOc1ccc(/C=N/c2ccc(C(=O)[O-])cc2C)cc1I ZINC000408905581 560651895 /nfs/dbraw/zinc/65/18/95/560651895.db2.gz ZMQUSLROMUSGRW-VXLYETTFSA-N -1 0 409.223 4.447 40 30 HIEBRM Cc1ccc(/N=C2\S/C(=C/c3cccc(OCC(=O)[O-])c3)C(=O)N2C(C)C)cc1 ZINC000408907713 560652144 /nfs/dbraw/zinc/65/21/44/560652144.db2.gz CFAUUEOHWGTXLR-FFXWWKDOSA-N -1 0 410.495 4.471 40 30 HIEBRM COc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000408962726 560658547 /nfs/dbraw/zinc/65/85/47/560658547.db2.gz TXXAKQXOXFXKGK-CPNJWEJPSA-N -1 0 419.462 4.076 40 30 HIEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000409100419 560676898 /nfs/dbraw/zinc/67/68/98/560676898.db2.gz VWDZEHQOTSVPRG-OMCISZLKSA-N -1 0 400.572 4.375 40 30 HIEBRM Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409218347 560697761 /nfs/dbraw/zinc/69/77/61/560697761.db2.gz ULVHBUCAXZMXLQ-PCLIKHOPSA-N -1 0 403.482 4.380 40 30 HIEBRM COC(=O)c1ccc(C)c(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)c1 ZINC000409384835 560717692 /nfs/dbraw/zinc/71/76/92/560717692.db2.gz FDOYXRNCYCANRM-WYMPLXKRSA-N -1 0 423.421 4.411 40 30 HIEBRM CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000100189356 560723895 /nfs/dbraw/zinc/72/38/95/560723895.db2.gz ISDCOHOLVMZOBV-LFVJCYFKSA-N -1 0 408.527 4.479 40 30 HIEBRM C[C@@H](Oc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1)C(=O)[O-] ZINC000059302772 568705149 /nfs/dbraw/zinc/70/51/49/568705149.db2.gz RVQPOCHVYTWUGK-FFCYNSPCSA-N -1 0 402.859 4.084 40 30 HIEBRM C=CCCC(=O)[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000079670100 569059504 /nfs/dbraw/zinc/05/95/04/569059504.db2.gz JVTHREVWRKDEAM-OAQYLSRUSA-N -1 0 407.466 4.294 40 30 HIEBRM COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)c1[N+](=O)[O-] ZINC000033783946 569351379 /nfs/dbraw/zinc/35/13/79/569351379.db2.gz MQNWCRCTCWPFBC-VQHVLOKHSA-N -1 0 419.393 4.346 40 30 HIEBRM CCCCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000408538098 557344689 /nfs/dbraw/zinc/34/46/89/557344689.db2.gz JAGBKORGQUJHMY-UHFFFAOYSA-N -1 0 422.909 4.227 40 30 HIEBRM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc(CN2CCOCC2)cc1 ZINC000006926332 557730454 /nfs/dbraw/zinc/73/04/54/557730454.db2.gz YCRNVXMYILWTHC-SRZZPIQSSA-N -1 0 409.711 4.391 40 30 HIEBRM CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])S2)cc1 ZINC000408743371 557809932 /nfs/dbraw/zinc/80/99/32/557809932.db2.gz WCBFDHPDRHCOCH-NVNXTCNLSA-N -1 0 419.846 4.244 40 30 HIEBRM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408751076 557812596 /nfs/dbraw/zinc/81/25/96/557812596.db2.gz WEBYYNXSOGFFKW-AFPJDJCSSA-N -1 0 413.821 4.195 40 30 HIEBRM CC(N=Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc2c(c1)OCCO2 ZINC000009465012 557843901 /nfs/dbraw/zinc/84/39/01/557843901.db2.gz GHNWWLLBQATCIM-QPSGOUHRSA-N -1 0 416.648 4.347 40 30 HIEBRM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)c(Br)c2)cc1 ZINC000019850085 558295441 /nfs/dbraw/zinc/29/54/41/558295441.db2.gz BDAWAHDKHISJDY-GRSHGNNSSA-N -1 0 419.304 4.270 40 30 HIEBRM O=C([O-])c1ccc(/N=C/c2ccc(O)c(I)c2)cc1Cl ZINC000408962845 560658573 /nfs/dbraw/zinc/65/85/73/560658573.db2.gz KCMLDVDOVUYUTQ-REZTVBANSA-N -1 0 401.587 4.099 40 30 HIEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000408800055 560642252 /nfs/dbraw/zinc/64/22/52/560642252.db2.gz JXDSMHUFUVGBGD-SFQUDFHCSA-N -1 0 410.857 4.188 40 30 HIEBRM C=CCn1c(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000408810793 560643971 /nfs/dbraw/zinc/64/39/71/560643971.db2.gz KMFTUMKDWJMPQM-XSFVSMFZSA-N -1 0 415.518 4.275 40 30 HIEBRM C=CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCCCC)cc3)C2=O)cc1 ZINC000408896681 560650817 /nfs/dbraw/zinc/65/08/17/560650817.db2.gz HHZUHQBIOLPHDU-PGMHBOJBSA-N -1 0 420.465 4.097 40 30 HIEBRM Cc1cccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)S2)c1 ZINC000408930896 560655663 /nfs/dbraw/zinc/65/56/63/560655663.db2.gz DMXLEJBCKYGIQH-UYRXBGFRSA-N -1 0 403.463 4.376 40 30 HIEBRM O=C([O-])c1cccc(/N=C/c2cc(Br)c(I)o2)c1 ZINC000408954616 560657342 /nfs/dbraw/zinc/65/73/42/560657342.db2.gz UDGQTLHSJNUANI-GIDUJCDVSA-N -1 0 420.000 4.096 40 30 HIEBRM O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1[O-] ZINC000408964378 560658892 /nfs/dbraw/zinc/65/88/92/560658892.db2.gz RECUQIWZJCLURK-KPKJPENVSA-N -1 0 410.238 4.499 40 30 HIEBRM O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000409404820 560722033 /nfs/dbraw/zinc/72/20/33/560722033.db2.gz MIIHNBOVSZRIBL-UHFFFAOYSA-N -1 0 420.812 4.213 40 30 HIEBRM CCCOc1cccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)c1 ZINC000002116171 560730151 /nfs/dbraw/zinc/73/01/51/560730151.db2.gz YPJSPNCANVBHKG-UHFFFAOYSA-N -1 0 423.509 4.364 40 30 HIEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(O)c(C(=O)[O-])c3)c2C)c1 ZINC000003889910 560734587 /nfs/dbraw/zinc/73/45/87/560734587.db2.gz MXKWONYLUDTNRL-CFRMEGHHSA-N -1 0 406.438 4.425 40 30 HIEBRM C=CCc1cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc(OC)c1OCC(=O)[O-] ZINC000059248022 568703152 /nfs/dbraw/zinc/70/31/52/568703152.db2.gz VIZUSLIXQQKBCW-FOKLQQMPSA-N -1 0 417.845 4.078 40 30 HIEBRM C=CCc1cc(/C=N/c2cccc(Br)c2)cc(OC)c1OCC(=O)[O-] ZINC000059250222 568703439 /nfs/dbraw/zinc/70/34/39/568703439.db2.gz PISYUORUFCJEPX-SRZZPIQSSA-N -1 0 404.260 4.400 40 30 HIEBRM CCn1c2ccccc2c([O-])c(C(C)=NC2=C(C)N(C)[C@H](c3ccccc3)C2=O)c1=O ZINC000101629458 569014578 /nfs/dbraw/zinc/01/45/78/569014578.db2.gz LBFJXSXFWMBDJT-QVGKIPNLSA-N -1 0 415.493 4.023 40 30 HIEBRM C=CCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000017092018 569016921 /nfs/dbraw/zinc/01/69/21/569016921.db2.gz BCNBFXSPLFMQRO-WQRHYEAKSA-N -1 0 419.868 4.456 40 30 HIEBRM C=CCN1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)SC1=S ZINC000408543146 557360255 /nfs/dbraw/zinc/36/02/55/557360255.db2.gz PNELQXMMXCCGCK-ZDLGFXPLSA-N -1 0 424.503 4.368 40 30 HIEBRM C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)[O-] ZINC000408759511 559275578 /nfs/dbraw/zinc/27/55/78/559275578.db2.gz GIKYWOOZXYQBTN-MOSHPQCFSA-N -1 0 422.506 4.333 40 30 HIEBRM Brc1ccc2nc3[n-]c(NN=Cc4c[nH]c5ccccc45)nnc-3c2c1 ZINC000004754250 560608476 /nfs/dbraw/zinc/60/84/76/560608476.db2.gz ULDJFWGAVZEGMO-ZVBGSRNCSA-N -1 0 406.247 4.196 40 30 HIEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c([O-])c(Cl)c1 ZINC000408794587 560641990 /nfs/dbraw/zinc/64/19/90/560641990.db2.gz SPJVOBYRPHZXKV-MRXNPFEDSA-N -1 0 416.260 4.440 40 30 HIEBRM C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408802045 560642526 /nfs/dbraw/zinc/64/25/26/560642526.db2.gz CHCGEARLNANJAF-RCCKNPSSSA-N -1 0 424.456 4.135 40 30 HIEBRM C=CCn1c(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000408815224 560645198 /nfs/dbraw/zinc/64/51/98/560645198.db2.gz USVVTSCBGHYERA-KGENOOAVSA-N -1 0 413.477 4.419 40 30 HIEBRM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)SC1=S ZINC000408820626 560645464 /nfs/dbraw/zinc/64/54/64/560645464.db2.gz YYFNXMIYHJTFLW-WQRHYEAKSA-N -1 0 412.536 4.488 40 30 HIEBRM COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000408913465 560653666 /nfs/dbraw/zinc/65/36/66/560653666.db2.gz UZFQNVXMQBDTPU-UHFFFAOYSA-N -1 0 414.413 4.435 40 30 HIEBRM CCN1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 ZINC000409248848 560702004 /nfs/dbraw/zinc/70/20/04/560702004.db2.gz RQJOEZYOIYWKHP-OZZFTROTSA-N -1 0 417.418 4.072 40 30 HIEBRM C[C@@H](Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409276189 560705330 /nfs/dbraw/zinc/70/53/30/560705330.db2.gz OSSIZCOWHZLCLF-MRXNPFEDSA-N -1 0 419.481 4.178 40 30 HIEBRM C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc(OC)c1OCC(=O)[O-] ZINC000059248063 568703199 /nfs/dbraw/zinc/70/31/99/568703199.db2.gz FDLMYBAVYOVTCR-FOKLQQMPSA-N -1 0 417.845 4.078 40 30 HIEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=Nc2cc(C)cc(C)c2)NC1=O ZINC000059426844 568706429 /nfs/dbraw/zinc/70/64/29/568706429.db2.gz HBPZWVQHXCJMPE-GEBKJHSDSA-N -1 0 404.495 4.077 40 30 HIEBRM C=CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000059861674 568709566 /nfs/dbraw/zinc/70/95/66/568709566.db2.gz LCDBGTZXRAQVDJ-SFQUDFHCSA-N -1 0 406.438 4.384 40 30 HIEBRM Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000017081876 569273134 /nfs/dbraw/zinc/27/31/34/569273134.db2.gz AKDXHPBUAGTWOC-UHFFFAOYSA-N -1 0 400.463 4.486 40 30 HIEBRM CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000210530762 853814399 /nfs/dbraw/zinc/81/43/99/853814399.db2.gz SXZDMQDQEZBHCZ-WBCKRXDOSA-N -1 0 412.467 4.026 40 30 HIEBRM COc1cc(-c2nc3ccccn3c2/N=C/c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000034105422 521907149 /nfs/dbraw/zinc/90/71/49/521907149.db2.gz BHDIERXOFSTGDJ-WSDLNYQXSA-N -1 0 404.382 4.080 40 30 HIEBRM COCc1cc(C)nc(N=NCc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c1C#N ZINC000016267796 522918277 /nfs/dbraw/zinc/91/82/77/522918277.db2.gz IUEPTURERJZYEF-VROXFSQNSA-N -1 0 424.844 4.466 40 30 HIEBRM CCc1cccc(CC)c1NC(=O)C(C#N)=C1C(=O)c2ccccc2C([O-])=C1Cl ZINC000001624014 557276826 /nfs/dbraw/zinc/27/68/26/557276826.db2.gz CEPOONXTYNXFSS-QGZVFWFLSA-N -1 0 406.869 4.462 40 30 HIEBRM CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1 ZINC000005841385 557677081 /nfs/dbraw/zinc/67/70/81/557677081.db2.gz CECKHWUAKOPRLE-DJKKODMXSA-N -1 0 406.236 4.408 40 30 HIEBRM O=C([O-])C[C@H]1S[C@H](c2ccccc2Cl)N(/N=C/c2ccccc2Cl)C1=O ZINC000006513727 557706243 /nfs/dbraw/zinc/70/62/43/557706243.db2.gz MGUGVACYUTUXBZ-LDSVYWLUSA-N -1 0 409.294 4.445 40 30 HIEBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc(Nc2ccccc2)cc1 ZINC000408741351 557807524 /nfs/dbraw/zinc/80/75/24/557807524.db2.gz PIAFNHVEYNOKEH-UDIPQKBFSA-N -1 0 414.490 4.197 40 30 HIEBRM O=C([O-])c1cccc2c1-c1ccccc1C2N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005008128 560620850 /nfs/dbraw/zinc/62/08/50/560620850.db2.gz QHLBJLZMJWFUSH-QOCHGBHMSA-N -1 0 404.338 4.046 40 30 HIEBRM C=CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O ZINC000408872087 560649105 /nfs/dbraw/zinc/64/91/05/560649105.db2.gz KFLWSWKKRGHUDC-LGMDPLHJSA-N -1 0 410.857 4.134 40 30 HIEBRM CCN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)S/C1=N\c1cc(C)ccc1C ZINC000408908925 560652860 /nfs/dbraw/zinc/65/28/60/560652860.db2.gz TXVBDICHSAVHOU-FFXWWKDOSA-N -1 0 410.495 4.391 40 30 HIEBRM CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1cccc(C(=O)[O-])c1 ZINC000408960082 560657675 /nfs/dbraw/zinc/65/76/75/560657675.db2.gz JDSBAJBCHMWXDV-YDOFSLMMSA-N -1 0 407.495 4.219 40 30 HIEBRM CCCOc1ccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409068243 560672598 /nfs/dbraw/zinc/67/25/98/560672598.db2.gz ICVZDEXLVXUMLC-UHFFFAOYSA-N -1 0 423.509 4.364 40 30 HIEBRM O=C([O-])COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409086195 560674776 /nfs/dbraw/zinc/67/47/76/560674776.db2.gz GJNBCERSFBYMIZ-RREIPUBJSA-N -1 0 408.163 4.317 40 30 HIEBRM C=CCN1C(=O)S/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O ZINC000409097278 560675946 /nfs/dbraw/zinc/67/59/46/560675946.db2.gz GFEMYLKQNFKCKI-UXBLZVDNSA-N -1 0 419.094 4.140 40 30 HIEBRM COc1cccc(/C=N\c2ccc3c(c2)OCO3)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186673 560689090 /nfs/dbraw/zinc/68/90/90/560689090.db2.gz GIOZYVWZCDKHGL-MSXFZWOLSA-N -1 0 405.406 4.452 40 30 HIEBRM COC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cc1 ZINC000409385480 560717826 /nfs/dbraw/zinc/71/78/26/560717826.db2.gz MGSYXPATAKRWGV-FSJBWODESA-N -1 0 409.394 4.103 40 30 HIEBRM O=C([O-])C[C@H]1S[C@@H](c2ccccc2Cl)N(/N=C/c2ccccc2Cl)C1=O ZINC000006513726 557706252 /nfs/dbraw/zinc/70/62/52/557706252.db2.gz MGUGVACYUTUXBZ-PVQJYNNTSA-N -1 0 409.294 4.445 40 30 HIEBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc(Nc2ccccc2)cc1 ZINC000408741350 557807410 /nfs/dbraw/zinc/80/74/10/557807410.db2.gz PIAFNHVEYNOKEH-FBTHGLLTSA-N -1 0 414.490 4.197 40 30 HIEBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000408743755 557811012 /nfs/dbraw/zinc/81/10/12/557811012.db2.gz XXPVPOFPGMCICM-BYWZACNXSA-N -1 0 407.882 4.260 40 30 HIEBRM O=C([N-]Cc1ccccc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000068573703 558863593 /nfs/dbraw/zinc/86/35/93/558863593.db2.gz MBYGYAYBAZPQOT-VIFPVBQESA-N -1 0 419.190 4.338 40 30 HIEBRM CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1ccc(Br)s1 ZINC000004713021 560610819 /nfs/dbraw/zinc/61/08/19/560610819.db2.gz NLGUOTWVWGXMSL-UKWGHVSLSA-N -1 0 401.293 4.475 40 30 HIEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408798912 560642226 /nfs/dbraw/zinc/64/22/26/560642226.db2.gz GJPFTPNJETUKFT-RCCKNPSSSA-N -1 0 412.445 4.379 40 30 HIEBRM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000408905423 560651794 /nfs/dbraw/zinc/65/17/94/560651794.db2.gz ADWFXBBHJFDSDM-OUYOUGTCSA-N -1 0 413.455 4.321 40 30 HIEBRM CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000409094752 560674685 /nfs/dbraw/zinc/67/46/85/560674685.db2.gz FVMIDPIVGWWXJD-DNTJNYDQSA-N -1 0 414.296 4.072 40 30 HIEBRM Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(O)c(C(=O)[O-])c3)c2)cc1C ZINC000409381125 560717281 /nfs/dbraw/zinc/71/72/81/560717281.db2.gz FMFMVKQPIVJPHX-MXAYSNPKSA-N -1 0 418.449 4.475 40 30 HIEBRM COC(=O)c1cccc(/N=C\c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)c1 ZINC000409384998 560717743 /nfs/dbraw/zinc/71/77/43/560717743.db2.gz HGFAWQYMCUXZJA-FMCGGJTJSA-N -1 0 409.394 4.103 40 30 HIEBRM 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COCc1c(C#N)c(=O)[n-]c(/C=C/c2ccc(-c3ccccc3Cl)o2)c1[N+](=O)[O-] ZINC000006160485 569329609 /nfs/dbraw/zinc/32/96/09/569329609.db2.gz DSRYFGHHTSYRCL-SOFGYWHQSA-N -1 0 411.801 4.385 40 30 HIEBRM Cc1nnc(S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[O-])o1 ZINC000408633461 569386114 /nfs/dbraw/zinc/38/61/14/569386114.db2.gz YSUMYENZXQTMLV-JMIUGGIZSA-N -1 0 416.462 4.471 40 30 HIEBRM COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)cc1OC ZINC000020195893 524017843 /nfs/dbraw/zinc/01/78/43/524017843.db2.gz JMJGFQJVYKLXQG-WYMPLXKRSA-N -1 0 414.845 4.439 40 30 HIEBRM O=S(=O)(C(N=Nc1cccc(O)c1)=C([O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000100463943 527592411 /nfs/dbraw/zinc/59/24/11/527592411.db2.gz XIHCDHTYYIBWCS-ATJXCDBQSA-N -1 0 414.870 4.128 40 30 HIEBRM Cc1ccc(N2C(=O)C(=CNc3cccc(Cl)c3Cl)C(=O)[N-]C2=S)cc1 ZINC000408764465 560629600 /nfs/dbraw/zinc/62/96/00/560629600.db2.gz ITFQGRCVUDHCCQ-PITUFAOZSA-N -1 0 406.294 4.068 40 30 HIEBRM C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)[O-] ZINC000408790055 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CCc1nnc(C2=C([O-])C(=Cc3cc(OC)c(OC)cc3Cl)SC2=N)s1 ZINC000033869141 569362464 /nfs/dbraw/zinc/36/24/64/569362464.db2.gz KMLBMEDTHOKBTI-HNLZMFCHSA-N -1 0 409.920 4.189 40 30 HIEBRM CCCCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl ZINC000108066325 569362807 /nfs/dbraw/zinc/36/28/07/569362807.db2.gz PYOKDCQTSSJOSH-UHFFFAOYSA-N -1 0 413.301 4.482 40 30 HIEBRM COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1ccccc1C#N ZINC000408630844 569385936 /nfs/dbraw/zinc/38/59/36/569385936.db2.gz DCTYFVDMSNXBNC-GRSHGNNSSA-N -1 0 423.450 4.055 40 30 HIEBRM Cc1nnc(S/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C(=O)[O-])o1 ZINC000408632028 569386138 /nfs/dbraw/zinc/38/61/38/569386138.db2.gz CCSFXOOSAYDSJZ-JMIUGGIZSA-N -1 0 416.462 4.471 40 30 HIEBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)C2=O)c1C ZINC000409019732 569386391 /nfs/dbraw/zinc/38/63/91/569386391.db2.gz XJOWKZYQWPOGSE-XDHOZWIPSA-N -1 0 411.417 4.102 40 30 HIEBRM COc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(C(C)C)cc3)c(C#N)c2=O)cc1 ZINC000409206168 569386962 /nfs/dbraw/zinc/38/69/62/569386962.db2.gz MQHVJBWUXRWHJW-MLPAPPSSSA-N -1 0 415.449 4.105 40 30 HIEBRM CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000035656275 520879222 /nfs/dbraw/zinc/87/92/22/520879222.db2.gz YXUWPZHDBATULJ-UVOXWLTBSA-N -1 0 409.511 4.465 40 30 HIEBRM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[O-] ZINC000038160076 558637542 /nfs/dbraw/zinc/63/75/42/558637542.db2.gz MFAIQZIFQYSGGQ-KPSZGOFPSA-N -1 0 404.688 4.327 40 30 HIEBRM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000085409797 559056869 /nfs/dbraw/zinc/05/68/69/559056869.db2.gz FQZOYTPPZNPKAY-MRXNPFEDSA-N -1 0 412.492 4.386 40 30 HIEBRM N#Cc1c(SCC(=O)c2ccc(Cl)c(Cl)c2)sc2c1[nH]c(=O)cc2[O-] ZINC000013990403 559130009 /nfs/dbraw/zinc/13/00/09/559130009.db2.gz MTGMZLSSKUSJDB-UHFFFAOYSA-N -1 0 411.291 4.449 40 30 HIEBRM O=C([O-])c1cccc(Cn2cc(CN=Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)c1 ZINC000408908795 560652839 /nfs/dbraw/zinc/65/28/39/560652839.db2.gz 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C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1 ZINC000005373799 568965199 /nfs/dbraw/zinc/96/51/99/568965199.db2.gz OCYUSCPQULNPKQ-YVLHZVERSA-N -1 0 413.476 4.061 40 30 HIEBRM C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000012564033 568995225 /nfs/dbraw/zinc/99/52/25/568995225.db2.gz PVCWXPUUSDFVKP-GYHWCHFESA-N -1 0 407.495 4.438 40 30 HIEBRM N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000017087395 569273235 /nfs/dbraw/zinc/27/32/35/569273235.db2.gz JWNVSQZZZYZRNF-SZMVWBNQSA-N -1 0 406.507 4.498 40 30 HIEBRM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000033742825 569362509 /nfs/dbraw/zinc/36/25/09/569362509.db2.gz YKQQPBHLVDIYAV-UHFFFAOYSA-N -1 0 412.467 4.481 40 30 HIEBRM CCOc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccccc3Cl)c(C#N)c2=O)cc1 ZINC000409206694 569386835 /nfs/dbraw/zinc/38/68/35/569386835.db2.gz VUIBTDSDKZTDPK-GHXNOFRVSA-N -1 0 421.840 4.025 40 30 HIEBRM Cc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(F)cc3)c(C#N)c2=O)cc1Cl 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C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1CC=C ZINC000408843253 560646732 /nfs/dbraw/zinc/64/67/32/560646732.db2.gz FCNBRCILQLVFMG-RCCKNPSSSA-N -1 0 416.477 4.263 40 30 HIEBRM COCc1c(C#N)c(=O)[n-]c(/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1[N+](=O)[O-] ZINC000006420264 569332073 /nfs/dbraw/zinc/33/20/73/569332073.db2.gz PZFATRPNUSXLQI-SOFGYWHQSA-N -1 0 411.801 4.385 40 30 HIEBRM COc1cc(Br)c(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OC ZINC000046192309 569352130 /nfs/dbraw/zinc/35/21/30/569352130.db2.gz ZHDFSRCHFHYUOC-VXLYETTFSA-N -1 0 419.304 4.270 40 30 HIEBRM CCCc1nc(SC(=Cc2ccc(OCc3ccc(C#N)cc3)cc2)C(=O)[O-])n[nH]1 ZINC000408632438 569386181 /nfs/dbraw/zinc/38/61/81/569386181.db2.gz PZXIHAYGAGIEDI-UNOMPAQXSA-N -1 0 420.494 4.426 40 30 HIEBRM N#Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409024841 569386397 /nfs/dbraw/zinc/38/63/97/569386397.db2.gz XROOIWVNBMUHDL-WOJGMQOQSA-N -1 0 417.808 4.138 40 30 HIEBRM O=C([N-]Cc1ccccc1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 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CCOc1cc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc(Cl)c1O ZINC000033603608 569362342 /nfs/dbraw/zinc/36/23/42/569362342.db2.gz RUHFLCHRFRFXJL-ZFCGCGTISA-N -1 0 409.920 4.276 40 30 HIEBRM CCOC(=O)Oc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC ZINC000138364683 569363050 /nfs/dbraw/zinc/36/30/50/569363050.db2.gz PIMOWQCWSOJJRP-JMSNFKITSA-N -1 0 404.469 4.105 40 30 HIEBRM Cc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(Cl)cc3)c(C#N)c2=O)cc1C ZINC000409194288 569386819 /nfs/dbraw/zinc/38/68/19/569386819.db2.gz JMOQJKMUJSRSOR-POHAHGRESA-N -1 0 405.841 4.243 40 30 HIEBRM Cc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1[O-] ZINC000036007052 525556618 /nfs/dbraw/zinc/55/66/18/525556618.db2.gz MSYJHBUTVWNAQY-FOKLQQMPSA-N -1 0 409.364 4.215 40 30 HIEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)[O-])S2)cc1 ZINC000408532804 557315669 /nfs/dbraw/zinc/31/56/69/557315669.db2.gz PCSCNVIEGPEJAV-SXGWCWSVSA-N -1 0 402.859 4.003 40 30 HIEBRM O=[N+]([O-])c1cc(/C=N/c2cccc(-c3nc4cccnc4o3)c2)c([O-])c([N+](=O)[O-])c1 ZINC000006444524 557702656 /nfs/dbraw/zinc/70/26/56/557702656.db2.gz DIRUXNDMWRQXLN-UFFVCSGVSA-N -1 0 405.326 4.162 40 30 HIEBRM CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1 ZINC000019144703 558846653 /nfs/dbraw/zinc/84/66/53/558846653.db2.gz NUVBMYRTQDLPFX-NIHHCSOHSA-N -1 0 417.845 4.458 40 30 HIEBRM COc1c2occc2c(OC)c(C(=O)C(=NNc2cccc(Cl)c2)C(C)=O)c1[O-] ZINC000104312504 559160345 /nfs/dbraw/zinc/16/03/45/559160345.db2.gz PRSJHWCESHTWJE-HAHDFKILSA-N -1 0 416.817 4.049 40 30 HIEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(Cl)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408760589 559276001 /nfs/dbraw/zinc/27/60/01/559276001.db2.gz BHSRUPCBEFGHEM-FCQRQVBFSA-N -1 0 406.294 4.068 40 30 HIEBRM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408849708 560647068 /nfs/dbraw/zinc/64/70/68/560647068.db2.gz YIWXIYZZCGEXHE-YDZHTSKRSA-N -1 0 421.409 4.327 40 30 HIEBRM CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)S/C1=N\c1cc(C)ccc1C ZINC000408906969 560651983 /nfs/dbraw/zinc/65/19/83/560651983.db2.gz FIPHXCSTJQOSHR-FFXWWKDOSA-N -1 0 410.495 4.391 40 30 HIEBRM CCCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)S/C1=N\c1ccc(C)cc1 ZINC000408916131 560654104 /nfs/dbraw/zinc/65/41/04/560654104.db2.gz VCBLLZMCECTKCO-NMSSZPRHSA-N -1 0 410.495 4.472 40 30 HIEBRM O=C([O-])c1ccc(COc2ccccc2/C=N\NC(=S)Nc2ccccc2)cc1 ZINC000408962696 560658556 /nfs/dbraw/zinc/65/85/56/560658556.db2.gz ZZZFBMYJGWNXEP-UCQKPKSFSA-N -1 0 405.479 4.284 40 30 HIEBRM O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000408963060 560658626 /nfs/dbraw/zinc/65/86/26/560658626.db2.gz MBOHQSVGPUQFHL-NTUHNPAUSA-N -1 0 410.238 4.499 40 30 HIEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC ZINC000408985666 560661470 /nfs/dbraw/zinc/66/14/70/560661470.db2.gz XKIDGZGTFMGTNF-PDGQHHTCSA-N -1 0 424.884 4.442 40 30 HIEBRM [O-]c1c(I)cc(Br)cc1/C=N\c1ccccc1O ZINC000409100799 560677066 /nfs/dbraw/zinc/67/70/66/560677066.db2.gz WTWFKHSKPYSGEZ-APSNUPSMSA-N -1 0 418.028 4.216 40 30 HIEBRM COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186547 560689024 /nfs/dbraw/zinc/68/90/24/560689024.db2.gz DPHOMVFQNYLIBF-UHFFFAOYSA-N -1 0 414.413 4.435 40 30 HIEBRM O=C([O-])COc1c(Br)cc(/C=N/c2ccccc2)cc1Br ZINC000409200295 560692574 /nfs/dbraw/zinc/69/25/74/560692574.db2.gz HWFMIYSTRPMKQT-QGMBQPNBSA-N -1 0 413.065 4.426 40 30 HIEBRM O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2cccc(Br)c2)cc1 ZINC000100057487 560723702 /nfs/dbraw/zinc/72/37/02/560723702.db2.gz QCXKSGUOZIIXQA-CIAFOILYSA-N -1 0 416.300 4.396 40 30 HIEBRM C=CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000059136098 568700940 /nfs/dbraw/zinc/70/09/40/568700940.db2.gz LKJQSOSTULSQPI-SDNWHVSQSA-N -1 0 412.442 4.071 40 30 HIEBRM C=CCc1cc(/C=N/c2ccc(Br)cc2)cc(OC)c1OCC(=O)[O-] ZINC000059248080 568703156 /nfs/dbraw/zinc/70/31/56/568703156.db2.gz PLJPOTHRMQFXEE-SRZZPIQSSA-N -1 0 404.260 4.400 40 30 HIEBRM CN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000138483504 568725061 /nfs/dbraw/zinc/72/50/61/568725061.db2.gz PVHGZGPBQCDBGR-DOOOOMTHSA-N -1 0 417.284 4.381 40 30 HIEBRM Cn1cc(Br)c(C(=O)[N-]c2c(F)c(F)c(C(F)(F)F)c(F)c2F)n1 ZINC000002739584 568931769 /nfs/dbraw/zinc/93/17/69/568931769.db2.gz JYOXEPKXIXNNDS-UHFFFAOYSA-N -1 0 420.082 4.010 40 30 HIEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Br)c1O ZINC000108948423 569362991 /nfs/dbraw/zinc/36/29/91/569362991.db2.gz QYQGDMLNPRUDLL-FCWFZMKMSA-N -1 0 411.302 4.038 40 30 HIEBRM CCOc1ccc(/C=N/Cc2ccc(C(=O)[O-])cc2)cc1I ZINC000197731603 571048946 /nfs/dbraw/zinc/04/89/46/571048946.db2.gz UPDAXNMSVGYJQP-YBFXNURJSA-N -1 0 409.223 4.007 40 30 HIEBRM C=CCOc1ccc(Br)cc1C=C(Sc1n[nH]c(CCC)n1)C(=O)[O-] ZINC000408632213 557577222 /nfs/dbraw/zinc/57/72/22/557577222.db2.gz OTVORCZPHHWIMV-UVTDQMKNSA-N -1 0 424.320 4.302 40 30 HIEBRM CNc1nc(=NN=Cc2cc(Cl)cc(Cl)c2[O-])nc(Nc2ccccc2)[nH]1 ZINC000005334900 557645334 /nfs/dbraw/zinc/64/53/34/557645334.db2.gz GAMIKGDJGWLLRM-ZVBGSRNCSA-N -1 0 404.261 4.115 40 30 HIEBRM CCOc1cc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1O ZINC000035657247 557809402 /nfs/dbraw/zinc/80/94/02/557809402.db2.gz CGXCOSDBVRWPMC-ZIKOHYJISA-N -1 0 412.467 4.113 40 30 HIEBRM COc1ccc(Br)cc1C=NNc1nnc2c3cc(C)ccc3nc-2[n-]1 ZINC000004611306 560608048 /nfs/dbraw/zinc/60/80/48/560608048.db2.gz MXIBHVMAERMTRS-AWQFTUOYSA-N -1 0 411.263 4.032 40 30 HIEBRM Cc1ccc(Cl)cc1/N=C1/NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1 ZINC000005006505 560620643 /nfs/dbraw/zinc/62/06/43/560620643.db2.gz VWBDWVUFKKZCBC-PXNMLYILSA-N -1 0 402.859 4.003 40 30 HIEBRM S=c1[n-]nc(-c2ccccc2)n1N=Cc1cccc(I)c1 ZINC000005528284 560627052 /nfs/dbraw/zinc/62/70/52/560627052.db2.gz MHNCWOZBDMIFCU-LICLKQGHSA-N -1 0 406.252 4.094 40 30 HIEBRM C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O ZINC000408799966 560642171 /nfs/dbraw/zinc/64/21/71/560642171.db2.gz MCYRMKXXWDFRLC-CJLVFECKSA-N -1 0 424.456 4.081 40 30 HIEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408809896 560643811 /nfs/dbraw/zinc/64/38/11/560643811.db2.gz SMEJUBLTYYWJKR-SFQUDFHCSA-N -1 0 410.857 4.188 40 30 HIEBRM O=C([O-])COc1ccc(/C=N\c2cccc(I)c2)cc1Cl ZINC000408812134 560644235 /nfs/dbraw/zinc/64/42/35/560644235.db2.gz CCXTUUHXEXHJMP-LSCVHKIXSA-N -1 0 415.614 4.159 40 30 HIEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408815795 560644462 /nfs/dbraw/zinc/64/44/62/560644462.db2.gz UOLZXFJYBGZKLI-LDADJPATSA-N -1 0 410.857 4.188 40 30 HIEBRM Cc1nnc([S-])n(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1=O ZINC000408820519 560645497 /nfs/dbraw/zinc/64/54/97/560645497.db2.gz YFYHPULMTWTWNR-ZVBGSRNCSA-N -1 0 421.309 4.003 40 30 HIEBRM CCOc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc1I ZINC000408905368 560651823 /nfs/dbraw/zinc/65/18/23/560651823.db2.gz XYIGHXXURPSBKU-RQZCQDPDSA-N -1 0 412.183 4.054 40 30 HIEBRM CCc1ccccc1/N=C1\S/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C(=O)N1C ZINC000408915546 560654186 /nfs/dbraw/zinc/65/41/86/560654186.db2.gz PZBCGQFFWYNJNW-OUYOUGTCSA-N -1 0 413.455 4.105 40 30 HIEBRM C=CCN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2[O-])C1=O ZINC000409070980 560673254 /nfs/dbraw/zinc/67/32/54/560673254.db2.gz POOMSEMCYHJOLK-BJMVGYQFSA-N -1 0 419.094 4.140 40 30 HIEBRM O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000409091274 560675368 /nfs/dbraw/zinc/67/53/68/560675368.db2.gz PCQUHJTUFDYLGF-GHXNOFRVSA-N -1 0 423.060 4.262 40 30 HIEBRM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2c(Cl)cccc2Cl)C2=C1CCCC2=O ZINC000409209941 560694514 /nfs/dbraw/zinc/69/45/14/560694514.db2.gz IONNEYKRJHTNMI-UHFFFAOYSA-N -1 0 420.292 4.491 40 30 HIEBRM C#CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1CC=C ZINC000059136363 568701484 /nfs/dbraw/zinc/70/14/84/568701484.db2.gz XDCYUXLBFCZBNY-SAPNQHFASA-N -1 0 420.465 4.238 40 30 HIEBRM Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)S1 ZINC000059678795 568709858 /nfs/dbraw/zinc/70/98/58/568709858.db2.gz MZEZGBJIQMIDEJ-NJPLLEPOSA-N -1 0 416.886 4.392 40 30 HIEBRM Cc1ccc(O)c(/N=C/c2cc(Br)c([O-])c(Br)c2O)c1 ZINC000101539414 568936302 /nfs/dbraw/zinc/93/63/02/568936302.db2.gz WEBQEWFPRUSVHW-UBKPWBPPSA-N -1 0 401.054 4.387 40 30 HIEBRM CCn1c(C)cs/c1=N\N=C\c1cc(Br)cc(Br)c1[O-] ZINC000012374319 569042907 /nfs/dbraw/zinc/04/29/07/569042907.db2.gz YHDKQBPNTYIUNI-RFQSFQDSSA-N -1 0 419.142 4.043 40 30 HIEBRM N#Cc1c(=O)n(-c2ccccc2)nc(C(=O)[O-])c1/C=C\c1ccc(Cl)cc1Cl ZINC000409201029 569386798 /nfs/dbraw/zinc/38/67/98/569386798.db2.gz NDVLAIRVVSCVSV-CLFYSBASSA-N -1 0 412.232 4.280 40 30 HIEBRM C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000016929195 518825878 /nfs/dbraw/zinc/82/58/78/518825878.db2.gz CNBDPUICYFJNEU-UVOXWLTBSA-N -1 0 407.495 4.241 40 30 HIEBRM COc1ccc(N=NC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004293485 557537108 /nfs/dbraw/zinc/53/71/08/557537108.db2.gz POQDCCJBNQCXOL-ZNTNEXAZSA-N -1 0 408.479 4.086 40 30 HIEBRM C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1[O-] ZINC000006947790 557731223 /nfs/dbraw/zinc/73/12/23/557731223.db2.gz MXSAHZWHTJJVLQ-HYARGMPZSA-N -1 0 401.304 4.470 40 30 HIEBRM CC(=NNc1nnc2c3cc(C)ccc3nc-2[n-]1)c1ccc(Br)s1 ZINC000004596704 560607890 /nfs/dbraw/zinc/60/78/90/560607890.db2.gz QRWAZNMEERZBFE-AWQFTUOYSA-N -1 0 401.293 4.475 40 30 HIEBRM COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c([O-])c(Cl)c1 ZINC000408794574 560641802 /nfs/dbraw/zinc/64/18/02/560641802.db2.gz SPJVOBYRPHZXKV-INIZCTEOSA-N -1 0 416.260 4.440 40 30 HIEBRM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c1 ZINC000409107713 560678784 /nfs/dbraw/zinc/67/87/84/560678784.db2.gz QEFTWKNKVKPMBH-PDGQHHTCSA-N -1 0 407.426 4.206 40 30 HIEBRM CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCC(=O)[O-] ZINC000409210068 560694576 /nfs/dbraw/zinc/69/45/76/560694576.db2.gz KSDMRCJKTFWTCU-KEBDBYFISA-N -1 0 408.248 4.070 40 30 HIEBRM CCOc1ccc(C(=O)[O-])cc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 ZINC000409216207 560697215 /nfs/dbraw/zinc/69/72/15/560697215.db2.gz GFINQSMUVOHKBA-UHFFFAOYSA-N -1 0 409.482 4.217 40 30 HIEBRM COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)[O-] ZINC000409272298 560705121 /nfs/dbraw/zinc/70/51/21/560705121.db2.gz GADQUQXMZKPVSU-ZVBGSRNCSA-N -1 0 417.874 4.382 40 30 HIEBRM CN(C)S(=O)(=O)c1cc(/N=C/c2cc(Cl)cc(Cl)c2[O-])ccc1Cl ZINC000005287209 568443052 /nfs/dbraw/zinc/44/30/52/568443052.db2.gz BDPXELYCGKUAIT-UFWORHAWSA-N -1 0 407.706 4.353 40 30 HIEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OC ZINC000059135602 568701254 /nfs/dbraw/zinc/70/12/54/568701254.db2.gz QVOGTTSGHSKTIH-LDADJPATSA-N -1 0 424.428 4.468 40 30 HIEBRM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)cc1 ZINC000001576728 569030594 /nfs/dbraw/zinc/03/05/94/569030594.db2.gz TVWPFJFCCRUDKX-UHFFFAOYSA-N -1 0 419.553 4.047 40 30 HIEBRM CCOC(=O)Oc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC ZINC000107696100 569362845 /nfs/dbraw/zinc/36/28/45/569362845.db2.gz PIMOWQCWSOJJRP-ZLAKOQMZSA-N -1 0 404.469 4.105 40 30 HIEBRM N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000409168313 569386678 /nfs/dbraw/zinc/38/66/78/569386678.db2.gz QANYFJWOQJPGMO-GIDUJCDVSA-N -1 0 415.814 4.062 40 30 HIEBRM CCOc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(Cl)cc3)nc2C(=O)[O-])cc1 ZINC000409205553 569386942 /nfs/dbraw/zinc/38/69/42/569386942.db2.gz PIFHEVIVAYSOES-XGICHPGQSA-N -1 0 421.840 4.025 40 30 HIEBRM CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1C(=O)[O-] ZINC000408530670 557297123 /nfs/dbraw/zinc/29/71/23/557297123.db2.gz NAGRWCPTORXGGH-YBEGLDIGSA-N -1 0 402.859 4.329 40 30 HIEBRM COc1ccc(C=CC(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000100316276 559134017 /nfs/dbraw/zinc/13/40/17/559134017.db2.gz LRJHOCLEOFFAGF-GORDUTHDSA-N -1 0 404.253 4.408 40 30 HIEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(Cl)cc3Cl)C(=O)[N-]C2=S)cc1 ZINC000408761023 559276101 /nfs/dbraw/zinc/27/61/01/559276101.db2.gz GOTAECPJHDOWQI-UWPAOYMWSA-N -1 0 406.294 4.068 40 30 HIEBRM N=C1SC(=Cc2cc3c(cc2Br)OCO3)C([O-])=C1c1nccs1 ZINC000136277483 559289697 /nfs/dbraw/zinc/28/96/97/559289697.db2.gz UFFXDYDNMFTRNB-NMFVZGKPSA-N -1 0 409.286 4.052 40 30 HIEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000408800062 560642230 /nfs/dbraw/zinc/64/22/30/560642230.db2.gz JZZJULOKBLJXJB-JLHYYAGUSA-N -1 0 417.248 4.225 40 30 HIEBRM COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408820114 560645401 /nfs/dbraw/zinc/64/54/01/560645401.db2.gz VFGPYGBDWLAXQH-MSXFZWOLSA-N -1 0 405.406 4.452 40 30 HIEBRM CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)N1CC ZINC000408916428 560654251 /nfs/dbraw/zinc/65/42/51/560654251.db2.gz XJVBDVKCUYVKFO-NMSSZPRHSA-N -1 0 410.495 4.336 40 30 HIEBRM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC ZINC000408984428 560661964 /nfs/dbraw/zinc/66/19/64/560661964.db2.gz QWJLWMJPTUAQPN-HKWRFOASSA-N -1 0 404.466 4.043 40 30 HIEBRM C=CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409043673 560669249 /nfs/dbraw/zinc/66/92/49/560669249.db2.gz SYNGNZSYVPSTBU-NTEUORMPSA-N -1 0 417.248 4.225 40 30 HIEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1[O-] ZINC000409103921 560675589 /nfs/dbraw/zinc/67/55/89/560675589.db2.gz XLKRGKTXKXJLOB-OMCISZLKSA-N -1 0 400.572 4.375 40 30 HIEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=Nc2cc(C)cc(C)c2)NC1=O ZINC000105510683 560738491 /nfs/dbraw/zinc/73/84/91/560738491.db2.gz HBPZWVQHXCJMPE-IZILLXMLSA-N -1 0 404.495 4.077 40 30 HIEBRM N#Cc1c(N)nc2c(c1-c1cc(Br)c([O-])c(Br)c1)CCCC2 ZINC000106107414 560871559 /nfs/dbraw/zinc/87/15/59/560871559.db2.gz IPIBTMAFIHVXSK-UHFFFAOYSA-N -1 0 423.108 4.312 40 30 HIEBRM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc(Br)c1O ZINC000019860981 560876539 /nfs/dbraw/zinc/87/65/39/560876539.db2.gz NSRVLRWXKLCRSB-OCKHKDLRSA-N -1 0 419.304 4.275 40 30 HIEBRM C/C(=N/N=C1\S[C@@H](CC(=O)[O-])C(=O)N1c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000059475403 568707215 /nfs/dbraw/zinc/70/72/15/568707215.db2.gz CEOIJKDKRQHHJD-JHCHLJSSSA-N -1 0 415.902 4.352 40 30 HIEBRM COc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1O ZINC000006490535 568936795 /nfs/dbraw/zinc/93/67/95/568936795.db2.gz UQHOELBVBVYGQV-CAOOACKPSA-N -1 0 402.619 4.105 40 30 HIEBRM O=S(=O)([N-]c1ccccn1)c1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000006057165 569272948 /nfs/dbraw/zinc/27/29/48/569272948.db2.gz ZHFBEWWQFFNPRI-FYJGNVAPSA-N -1 0 416.300 4.396 40 30 HIEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OC)c(Br)c3)SC2=N)s1 ZINC000107867880 569362833 /nfs/dbraw/zinc/36/28/33/569362833.db2.gz QQVMFUIIOMMBEK-XRKISCQYSA-N -1 0 424.345 4.289 40 30 HIEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1C ZINC000409023789 569386436 /nfs/dbraw/zinc/38/64/36/569386436.db2.gz PTRPQGHETCGZCV-UDWIEESQSA-N -1 0 411.417 4.102 40 30 HIEBRM O=C([O-])COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408527442 557289978 /nfs/dbraw/zinc/28/99/78/557289978.db2.gz AMXKCXLLXSGSPP-NVNXTCNLSA-N -1 0 423.277 4.348 40 30 HIEBRM COc1c([O-])c(Br)cc(/C=C2\Sc3ccccc3C2=O)c1[N+](=O)[O-] ZINC000035104221 557341824 /nfs/dbraw/zinc/34/18/24/557341824.db2.gz ACNIXCZWBAFURJ-GHXNOFRVSA-N -1 0 408.229 4.401 40 30 HIEBRM C#CCOc1c(Br)cc(CNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000408607311 557519091 /nfs/dbraw/zinc/51/90/91/557519091.db2.gz JVHTUWRBMIWJKF-UHFFFAOYSA-N -1 0 404.260 4.170 40 30 HIEBRM C[C@@H](Oc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1)C(=O)[O-] ZINC000005881209 557678938 /nfs/dbraw/zinc/67/89/38/557678938.db2.gz RVQPOCHVYTWUGK-HPUUJOOBSA-N -1 0 402.859 4.084 40 30 HIEBRM COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(=O)[O-])c3)NC2=O)cc1C ZINC000006189102 557693503 /nfs/dbraw/zinc/69/35/03/557693503.db2.gz YUMLSMDDPYKHFR-PXNMLYILSA-N -1 0 402.859 4.247 40 30 HIEBRM Cc1ccccc1/N=C1/NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)S1 ZINC000006334544 557699446 /nfs/dbraw/zinc/69/94/46/557699446.db2.gz MPTCEOZNPASCDH-CPNJWEJPSA-N -1 0 403.463 4.376 40 30 HIEBRM CCc1ccc(N=C2NC(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)S2)cc1 ZINC000408755712 557817549 /nfs/dbraw/zinc/81/75/49/557817549.db2.gz MKVQUJNMSCKCEV-ZJYZBMPFSA-N -1 0 404.495 4.022 40 30 HIEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(-c4ccccc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000408757996 558822693 /nfs/dbraw/zinc/82/26/93/558822693.db2.gz FKJHVYDGPNUKJL-BABSMXRMSA-N -1 0 413.502 4.428 40 30 HIEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC ZINC000408781067 560641040 /nfs/dbraw/zinc/64/10/40/560641040.db2.gz QZWGAXRJJRWGRE-QGOAFFKASA-N -1 0 410.857 4.134 40 30 HIEBRM Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)S1 ZINC000408858880 560648261 /nfs/dbraw/zinc/64/82/61/560648261.db2.gz QNYBTYNPZFAIFI-PXNMLYILSA-N -1 0 402.859 4.003 40 30 HIEBRM C=CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000408938671 560656409 /nfs/dbraw/zinc/65/64/09/560656409.db2.gz RALYQHFYVIPILJ-GDNBJRDFSA-N -1 0 417.248 4.225 40 30 HIEBRM CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1ccc2ncccc2c1 ZINC000408963355 560658679 /nfs/dbraw/zinc/65/86/79/560658679.db2.gz NKURUACUPFBIND-CMVSNXJPSA-N -1 0 406.423 4.082 40 30 HIEBRM C=CCn1c(C)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c2ccccc21 ZINC000408986472 560661639 /nfs/dbraw/zinc/66/16/39/560661639.db2.gz MENTYBYFUOSHCY-QNGOZBTKSA-N -1 0 413.477 4.365 40 30 HIEBRM CCOc1c(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cccc1OC ZINC000409057787 560670580 /nfs/dbraw/zinc/67/05/80/560670580.db2.gz MEMNLRWGFQMTEE-RTPPHFGYSA-N -1 0 412.467 4.026 40 30 HIEBRM COCc1cc(C)nc(N=NCc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)c1C#N ZINC000013144935 560802463 /nfs/dbraw/zinc/80/24/63/560802463.db2.gz QQCAVQJSVOHHOY-VROXFSQNSA-N -1 0 424.844 4.466 40 30 HIEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCC ZINC000059135573 568700928 /nfs/dbraw/zinc/70/09/28/568700928.db2.gz KNLUHTSMIUDNHM-LDADJPATSA-N -1 0 424.428 4.468 40 30 HIEBRM Cc1cccc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)c1 ZINC000059248143 568703153 /nfs/dbraw/zinc/70/31/53/568703153.db2.gz BIYYRNVGSLRKEB-SXGWCWSVSA-N -1 0 402.859 4.003 40 30 HIEBRM Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059248923 568703216 /nfs/dbraw/zinc/70/32/16/568703216.db2.gz LGDJCJDJIAMRME-BHGWPJFGSA-N -1 0 421.840 4.076 40 30 HIEBRM [O-]c1c(I)cc(Br)cc1C=NNc1ccccc1 ZINC000059426223 568706208 /nfs/dbraw/zinc/70/62/08/568706208.db2.gz LAPZUSUIPNWMTC-LZYBPNLTSA-N -1 0 417.044 4.205 40 30 HIEBRM CCc1nc(SC(=Cc2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])n[nH]1 ZINC000213403325 569272075 /nfs/dbraw/zinc/27/20/75/569272075.db2.gz MPNCXHVHUFIJFZ-WQRHYEAKSA-N -1 0 406.467 4.036 40 30 HIEBRM COCc1c(C#N)c(=O)[n-]c(/C=C/c2ccc(-c3cccc(Cl)c3)o2)c1[N+](=O)[O-] ZINC000107724592 569352880 /nfs/dbraw/zinc/35/28/80/569352880.db2.gz DJZMHLCXZFYHPY-FNORWQNLSA-N -1 0 411.801 4.385 40 30 HIEBRM CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC ZINC000008324627 569362107 /nfs/dbraw/zinc/36/21/07/569362107.db2.gz CULDRXZYLYSXGV-ZIKOHYJISA-N -1 0 412.467 4.026 40 30 HIEBRM CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)ccc1O ZINC000035656350 569362597 /nfs/dbraw/zinc/36/25/97/569362597.db2.gz IGTXQXSOZGSVIE-WBCKRXDOSA-N -1 0 412.467 4.113 40 30 HIEBRM C=CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000033718775 519015675 /nfs/dbraw/zinc/01/56/75/519015675.db2.gz DRVYGIKHYJBKTN-LGMDPLHJSA-N -1 0 406.438 4.329 40 30 HIEBRM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000033599358 520889784 /nfs/dbraw/zinc/88/97/84/520889784.db2.gz VLTZBCSODGHKBY-WOJBJXKFSA-N -1 0 421.298 4.231 40 30 HIEBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000408536583 557341318 /nfs/dbraw/zinc/34/13/18/557341318.db2.gz SDUSXZJAACELHL-AWEZNQCLSA-N -1 0 410.644 4.248 40 30 HIEBRM O=C([O-])c1ccc(Cn2cc(C=NNc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 ZINC000408541386 557369726 /nfs/dbraw/zinc/36/97/26/557369726.db2.gz CMTUQHPABFWOHL-SSDVNMTOSA-N -1 0 404.382 4.335 40 30 HIEBRM Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1ccc(CC(=O)[O-])cc1 ZINC000408645622 557614824 /nfs/dbraw/zinc/61/48/24/557614824.db2.gz AEOMPZHVDZCHGP-ZVHZXABRSA-N -1 0 401.470 4.054 40 30 HIEBRM CCc1cccc(CC)c1NC(=O)C(C#N)=C1C(=O)c2ccccc2C([O-])=C1Cl ZINC000006371719 557700277 /nfs/dbraw/zinc/70/02/77/557700277.db2.gz CEPOONXTYNXFSS-KRWDZBQOSA-N -1 0 406.869 4.462 40 30 HIEBRM CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000035657043 557811948 /nfs/dbraw/zinc/81/19/48/557811948.db2.gz LJOOPVVZSJRTBO-ZIKOHYJISA-N -1 0 412.467 4.026 40 30 HIEBRM C=CCOc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000225631526 559272080 /nfs/dbraw/zinc/27/20/80/559272080.db2.gz FDUPKHMVIFAJHX-UHFFFAOYSA-N -1 0 420.556 4.369 40 30 HIEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(Cl)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408760590 559276035 /nfs/dbraw/zinc/27/60/35/559276035.db2.gz BHSRUPCBEFGHEM-UWPAOYMWSA-N -1 0 406.294 4.068 40 30 HIEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(Cl)cc3Cl)C(=O)[N-]C2=S)cc1 ZINC000408760871 559276113 /nfs/dbraw/zinc/27/61/13/559276113.db2.gz GOTAECPJHDOWQI-FCQRQVBFSA-N -1 0 406.294 4.068 40 30 HIEBRM Cc1cc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1I ZINC000408847828 560646624 /nfs/dbraw/zinc/64/66/24/560646624.db2.gz SKPJQBZDBDKFRO-ZTPSMGMTSA-N -1 0 409.223 4.202 40 30 HIEBRM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC ZINC000408851455 560647288 /nfs/dbraw/zinc/64/72/88/560647288.db2.gz ZODNJSPFMIMCNK-XSFVSMFZSA-N -1 0 404.466 4.097 40 30 HIEBRM Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1 ZINC000408882571 560650027 /nfs/dbraw/zinc/65/00/27/560650027.db2.gz RCYPRHNZBDZTEI-SXGWCWSVSA-N -1 0 402.859 4.003 40 30 HIEBRM C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408899635 560651036 /nfs/dbraw/zinc/65/10/36/560651036.db2.gz PPHHWRLNWGRRHP-PXLXIMEGSA-N -1 0 424.456 4.135 40 30 HIEBRM C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409082360 560674017 /nfs/dbraw/zinc/67/40/17/560674017.db2.gz SIEFJWJBPGPCAD-NDENLUEZSA-N -1 0 421.449 4.407 40 30 HIEBRM COc1ccccc1CN/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC000020761287 568458176 /nfs/dbraw/zinc/45/81/76/568458176.db2.gz QLNLRFSXRFRUEY-QGMBQPNBSA-N -1 0 414.097 4.050 40 30 HIEBRM COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2ccccc2C(=O)[O-])ccc1O ZINC000059596679 568706718 /nfs/dbraw/zinc/70/67/18/568706718.db2.gz MVUXYUZANYKVFL-ZMOGYAJESA-N -1 0 401.422 4.473 40 30 HIEBRM C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H](O)[C@@](C)(COC(=O)CCC(=O)[O-])[C@@H]1CC3 ZINC000008617626 568982255 /nfs/dbraw/zinc/98/22/55/568982255.db2.gz QRCWTENDAKYOOH-IWWZHXBWSA-N -1 0 404.547 4.334 40 30 HIEBRM CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000210530730 853814354 /nfs/dbraw/zinc/81/43/54/853814354.db2.gz YMXKKXSPMONCKB-RTPPHFGYSA-N -1 0 412.467 4.026 40 30 HIEBRM O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])cc21 ZINC000408720764 557768666 /nfs/dbraw/zinc/76/86/66/557768666.db2.gz CWLXHHGGILXBBB-UFFVCSGVSA-N -1 0 420.337 4.317 40 30 HIEBRM Cc1ccc(Cl)cc1NC=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000408740071 557805853 /nfs/dbraw/zinc/80/58/53/557805853.db2.gz CUUNDZSRNOHXJH-SCDDIDHTSA-N -1 0 406.294 4.068 40 30 HIEBRM CC(C)(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408741030 557806558 /nfs/dbraw/zinc/80/65/58/557806558.db2.gz JJWBVAXNOHSKAS-UXHMZNKVSA-N -1 0 413.930 4.404 40 30 HIEBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000408743756 557810993 /nfs/dbraw/zinc/81/09/93/557810993.db2.gz XXPVPOFPGMCICM-KCDOPAPYSA-N -1 0 407.882 4.260 40 30 HIEBRM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408750685 557812293 /nfs/dbraw/zinc/81/22/93/557812293.db2.gz QGVMOWFIVRLERX-AFPJDJCSSA-N -1 0 413.821 4.195 40 30 HIEBRM C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408811783 560644078 /nfs/dbraw/zinc/64/40/78/560644078.db2.gz RRQUAYLRHJOWIT-RCCKNPSSSA-N -1 0 412.445 4.379 40 30 HIEBRM Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)S1 ZINC000408860511 560648019 /nfs/dbraw/zinc/64/80/19/560648019.db2.gz XHUUQXMMHOJJEM-YVLHZVERSA-N -1 0 416.886 4.394 40 30 HIEBRM C=CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408884283 560649767 /nfs/dbraw/zinc/64/97/67/560649767.db2.gz XPDNMSQMCQVBCQ-JXAWBTAJSA-N -1 0 416.408 4.210 40 30 HIEBRM COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967439 560659318 /nfs/dbraw/zinc/65/93/18/560659318.db2.gz RKYGFLJSBCOQTC-MSXFZWOLSA-N -1 0 405.406 4.452 40 30 HIEBRM C=CCOc1cccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)c1 ZINC000409071883 560673408 /nfs/dbraw/zinc/67/34/08/560673408.db2.gz SQIAXGMQVAIBBZ-UHFFFAOYSA-N -1 0 421.493 4.140 40 30 HIEBRM CCN1C(=O)/C(=C\c2cn(CC(=O)[O-])c3ccccc23)S/C1=N/c1ccc(F)cc1 ZINC000409223852 560698890 /nfs/dbraw/zinc/69/88/90/560698890.db2.gz GAPLJTSLIGCJGK-OKJGYWFCSA-N -1 0 423.469 4.489 40 30 HIEBRM C[C@H](Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1)C(=O)[O-] ZINC000409276188 560705316 /nfs/dbraw/zinc/70/53/16/560705316.db2.gz OSSIZCOWHZLCLF-INIZCTEOSA-N -1 0 419.481 4.178 40 30 HIEBRM C[C@@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1)C(=O)[O-] ZINC000409302722 560708041 /nfs/dbraw/zinc/70/80/41/560708041.db2.gz FIHMHKIHNRGXQL-MRXNPFEDSA-N -1 0 419.481 4.178 40 30 HIEBRM CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000102660411 560731484 /nfs/dbraw/zinc/73/14/84/560731484.db2.gz CAOFPIKQUGNCKX-ZIKOHYJISA-N -1 0 412.467 4.026 40 30 HIEBRM C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1 ZINC000005373808 568965247 /nfs/dbraw/zinc/96/52/47/568965247.db2.gz LFPNPQSDUPPUSA-YVLHZVERSA-N -1 0 413.476 4.061 40 30 HIEBRM C=CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000010009748 568987626 /nfs/dbraw/zinc/98/76/26/568987626.db2.gz XJTXRPYERLOPLG-UHFFFAOYSA-N -1 0 414.508 4.366 40 30 HIEBRM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(Br)c1O ZINC000046192345 569352151 /nfs/dbraw/zinc/35/21/51/569352151.db2.gz FGWUQSRTZYLOMC-VXLYETTFSA-N -1 0 419.304 4.357 40 30 HIEBRM CCCN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000008363042 569362254 /nfs/dbraw/zinc/36/22/54/569362254.db2.gz BAWMPNUGSGINSN-NMSSZPRHSA-N -1 0 410.495 4.472 40 30 HIEBRM CN(C)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1Br ZINC000034721457 557015949 /nfs/dbraw/zinc/01/59/49/557015949.db2.gz IOFRGOKKKSHRSN-OQVNYJMYSA-N -1 0 408.346 4.389 40 30 HIEBRM COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000016215006 558779085 /nfs/dbraw/zinc/77/90/85/558779085.db2.gz YGSCZHCQIYUULD-KEBDBYFISA-N -1 0 410.342 4.155 40 30 HIEBRM O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000083327073 558833649 /nfs/dbraw/zinc/83/36/49/558833649.db2.gz RXECUGKXIUIXKB-QPEQYQDCSA-N -1 0 410.238 4.499 40 30 HIEBRM CC[C@@H](C)C(C1=C([O-])c2ccccc2C(=O)C1=O)=C1C(=O)c2ccccc2C(=O)C1O ZINC000104094890 559157926 /nfs/dbraw/zinc/15/79/26/559157926.db2.gz VCQOHNLQNTWXMY-GFCCVEGCSA-N -1 0 416.429 4.431 40 30 HIEBRM C#CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408808503 560643768 /nfs/dbraw/zinc/64/37/68/560643768.db2.gz PXWXQDYPCIYWBQ-PXLXIMEGSA-N -1 0 424.456 4.135 40 30 HIEBRM C=CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408815530 560644279 /nfs/dbraw/zinc/64/42/79/560644279.db2.gz XADRYCQJZGOXAF-MHWRWJLKSA-N -1 0 417.248 4.225 40 30 HIEBRM COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000408856352 560647903 /nfs/dbraw/zinc/64/79/03/560647903.db2.gz GDQKVNKZSCBKIK-NVNXTCNLSA-N -1 0 419.846 4.162 40 30 HIEBRM Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)S1 ZINC000408868077 560648541 /nfs/dbraw/zinc/64/85/41/560648541.db2.gz NLWBILOSIMVINU-BOPFTXTBSA-N -1 0 416.886 4.394 40 30 HIEBRM C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC(=O)[O-] ZINC000408905207 560651834 /nfs/dbraw/zinc/65/18/34/560651834.db2.gz VEUALRABNVTIMO-DEDYPNTBSA-N -1 0 420.465 4.083 40 30 HIEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000408966615 560658774 /nfs/dbraw/zinc/65/87/74/560658774.db2.gz PNSREAFARSIJDB-CPNJWEJPSA-N -1 0 403.463 4.376 40 30 HIEBRM O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000408964825 560658854 /nfs/dbraw/zinc/65/88/54/560658854.db2.gz SOZYKRLCJYUHLI-NSIKDUERSA-N -1 0 410.238 4.499 40 30 HIEBRM [O-]c1c(I)cc(Br)cc1/C=N\c1cccc(O)c1 ZINC000409104326 560675617 /nfs/dbraw/zinc/67/56/17/560675617.db2.gz CVMVOTYKMXEANB-APSNUPSMSA-N -1 0 418.028 4.216 40 30 HIEBRM C=CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 ZINC000409128222 560681359 /nfs/dbraw/zinc/68/13/59/560681359.db2.gz HTOWMBVZCYIBRV-CPNJWEJPSA-N -1 0 415.518 4.275 40 30 HIEBRM O=C([O-])COc1c(Br)cc(Br)cc1/C=N/c1ccccc1 ZINC000409199183 560692183 /nfs/dbraw/zinc/69/21/83/560692183.db2.gz BPHXNXMWEJOWGG-QGMBQPNBSA-N -1 0 413.065 4.426 40 30 HIEBRM CCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)cc1 ZINC000409214744 560696570 /nfs/dbraw/zinc/69/65/70/560696570.db2.gz YLAOJRYIEROAGI-KEBDBYFISA-N -1 0 408.248 4.070 40 30 HIEBRM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1C(=O)[O-] ZINC000409215019 560696702 /nfs/dbraw/zinc/69/67/02/560696702.db2.gz ZUHLLXSTSUHSML-SRZZPIQSSA-N -1 0 423.385 4.055 40 30 HIEBRM C[C@H](Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1)C(=O)[O-] ZINC000409302721 560708083 /nfs/dbraw/zinc/70/80/83/560708083.db2.gz FIHMHKIHNRGXQL-INIZCTEOSA-N -1 0 419.481 4.178 40 30 HIEBRM COc1cccc(/C=N/c2c(Br)cc([O-])cc2Br)c1O ZINC000038162401 568486050 /nfs/dbraw/zinc/48/60/50/568486050.db2.gz DPNVTKYNZNBBLD-REZTVBANSA-N -1 0 401.054 4.382 40 30 HIEBRM C=CCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000058823369 568699853 /nfs/dbraw/zinc/69/98/53/568699853.db2.gz WXUIOVSTGWOBOB-SFQUDFHCSA-N -1 0 412.829 4.420 40 30 HIEBRM C/N=C1/S/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C(=O)N1C ZINC000059105039 568700483 /nfs/dbraw/zinc/70/04/83/568700483.db2.gz CGOOKGPUFGWGMS-LVVZJAEZSA-N -1 0 416.886 4.149 40 30 HIEBRM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000101574175 568936434 /nfs/dbraw/zinc/93/64/34/568936434.db2.gz VLTZBCSODGHKBY-VQTJNVASSA-N -1 0 421.298 4.231 40 30 HIEBRM C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000005373771 568965278 /nfs/dbraw/zinc/96/52/78/568965278.db2.gz HWDFSUDIWZEONP-YVLHZVERSA-N -1 0 413.476 4.061 40 30 HIEBRM CC(C)c1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(F)cc3)nc2C(=O)[O-])cc1 ZINC000409205307 569386817 /nfs/dbraw/zinc/38/68/17/569386817.db2.gz HANMGDQRTOFBCU-XGICHPGQSA-N -1 0 403.413 4.235 40 30 HIEBRM N#Cc1c(=O)n(-c2ccc(Cl)cc2)nc(C(=O)[O-])c1/C=C\c1ccc(Cl)cc1 ZINC000409206661 569386965 /nfs/dbraw/zinc/38/69/65/569386965.db2.gz ZOGFIQSJAMHPNQ-KMKOMSMNSA-N -1 0 412.232 4.280 40 30 HIEBRM CCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000210585460 571049148 /nfs/dbraw/zinc/04/91/48/571049148.db2.gz BFZWYUHJAPBDMV-WBCKRXDOSA-N -1 0 412.467 4.026 40 30 HIEBRM Cc1ccc(-c2cc(N=NC(C(=O)C(F)(F)F)=C([O-])c3cccs3)n[nH]2)cc1 ZINC000004262771 557533033 /nfs/dbraw/zinc/53/30/33/557533033.db2.gz VCPNSXQFBZAXJN-MYYYXRDXSA-N -1 0 406.389 4.229 40 30 HIEBRM C[C@H](Oc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1)C(=O)[O-] ZINC000005880842 557679002 /nfs/dbraw/zinc/67/90/02/557679002.db2.gz RVQPOCHVYTWUGK-YAFRSCOQSA-N -1 0 402.859 4.084 40 30 HIEBRM CCOc1cc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2[O-])ccc1O ZINC000408731341 557796780 /nfs/dbraw/zinc/79/67/80/557796780.db2.gz JWEZMPWVXZKQPG-YDZHTSKRSA-N -1 0 418.409 4.470 40 30 HIEBRM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccs2)cc1 ZINC000005920720 560628678 /nfs/dbraw/zinc/62/86/78/560628678.db2.gz FOLATDPCHZYAIB-SFHVURJKSA-N -1 0 423.446 4.301 40 30 HIEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1Cl ZINC000408812808 560644308 /nfs/dbraw/zinc/64/43/08/560644308.db2.gz NMCGLJSLBPKCDV-LFIBNONCSA-N -1 0 410.857 4.188 40 30 HIEBRM O=C([O-])COc1ccc(/C=N\c2ccc(I)cc2)cc1Cl ZINC000408857475 560647429 /nfs/dbraw/zinc/64/74/29/560647429.db2.gz OLHCDQUFOJHDJQ-LSCVHKIXSA-N -1 0 415.614 4.159 40 30 HIEBRM CCCN1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000408907076 560652145 /nfs/dbraw/zinc/65/21/45/560652145.db2.gz LOHIKVYWNQRBJO-MSYUKONTSA-N -1 0 413.455 4.323 40 30 HIEBRM CCN1C(=O)/C(=C\c2cc3c(cc2C)OCO3)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409062001 560671802 /nfs/dbraw/zinc/67/18/02/560671802.db2.gz LKIGCGVDWPPCLJ-KNRZEBMXSA-N -1 0 410.451 4.046 40 30 HIEBRM CC1=NOC(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409086620 560674901 /nfs/dbraw/zinc/67/49/01/560674901.db2.gz FQLFLFWPAYQPCS-SXGWCWSVSA-N -1 0 416.227 4.042 40 30 HIEBRM COC(=O)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)c(C)c1 ZINC000409385037 560717736 /nfs/dbraw/zinc/71/77/36/560717736.db2.gz IDLGEUHWWGHNOK-WYMPLXKRSA-N -1 0 423.421 4.411 40 30 HIEBRM COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(O)c(C(=O)[O-])c3)c3ccccc32)o1 ZINC000409393927 560719645 /nfs/dbraw/zinc/71/96/45/560719645.db2.gz TVQJSBMTPBCLDI-MYKKPKGFSA-N -1 0 418.405 4.224 40 30 HIEBRM COc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000059224243 568702667 /nfs/dbraw/zinc/70/26/67/568702667.db2.gz VVLGDSFEMRQUEB-CHHVJCJISA-N -1 0 419.846 4.162 40 30 HIEBRM Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)c1 ZINC000059248323 568703220 /nfs/dbraw/zinc/70/32/20/568703220.db2.gz YAPDFXLSXPRQCU-MFOYZWKCSA-N -1 0 416.886 4.312 40 30 HIEBRM Cc1n[n-]c(=S)n(N=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1=O ZINC000096601928 568721961 /nfs/dbraw/zinc/72/19/61/568721961.db2.gz QESSLWMNABZIFK-LSHDLFTRSA-N -1 0 409.902 4.148 40 30 HIEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])cc1 ZINC000019973741 520257889 /nfs/dbraw/zinc/25/78/89/520257889.db2.gz FTVVHJREFBNMEO-UHFFFAOYSA-N -1 0 423.509 4.123 40 30 HIEBRM COc1cc(/C=N/c2nc3ccc(Br)cc3s2)c([O-])c([N+](=O)[O-])c1 ZINC000038186543 522001894 /nfs/dbraw/zinc/00/18/94/522001894.db2.gz VWOQJNPMKVPKBS-REZTVBANSA-N -1 0 408.233 4.432 40 30 HIEBRM CCCCOCCS(=O)(=O)[N-]c1ccc(Cl)cc1/C(=N/O)c1ccccc1 ZINC000005951546 557682340 /nfs/dbraw/zinc/68/23/40/557682340.db2.gz FSZQHZQIVMEGSU-XUTLUUPISA-N -1 0 410.923 4.125 40 30 HIEBRM O=C([O-])COc1cccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)c1 ZINC000408749093 557813216 /nfs/dbraw/zinc/81/32/16/557813216.db2.gz LGROZWYBKHTSRE-VIZOYTHASA-N -1 0 423.277 4.348 40 30 HIEBRM O=C([O-])COc1cccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1 ZINC000408748899 557813219 /nfs/dbraw/zinc/81/32/19/557813219.db2.gz IVKVRQCJOLHUSC-VIZOYTHASA-N -1 0 423.277 4.348 40 30 HIEBRM COc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1OC1CCCCC1 ZINC000005234619 560548130 /nfs/dbraw/zinc/54/81/30/560548130.db2.gz HMXHHFMTVBPLNK-UFFVCSGVSA-N -1 0 400.426 4.188 40 30 HIEBRM C=CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408811516 560644066 /nfs/dbraw/zinc/64/40/66/560644066.db2.gz NUFGTFOMHAHKCP-GXDHUFHOSA-N -1 0 417.248 4.225 40 30 HIEBRM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)SC1=S ZINC000408812154 560644243 /nfs/dbraw/zinc/64/42/43/560644243.db2.gz NWLUFYZGGHNNCJ-WQRHYEAKSA-N -1 0 412.536 4.488 40 30 HIEBRM Cc1c(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)c2ccccc2n1C ZINC000409072815 560673433 /nfs/dbraw/zinc/67/34/33/560673433.db2.gz SPXIISAMIROIBO-FFXWWKDOSA-N -1 0 405.479 4.419 40 30 HIEBRM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCC(=O)[O-])c1 ZINC000409073605 560673580 /nfs/dbraw/zinc/67/35/80/560673580.db2.gz WILURRLFTHPZRU-UHFFFAOYSA-N -1 0 423.509 4.123 40 30 HIEBRM COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409190980 560689286 /nfs/dbraw/zinc/68/92/86/560689286.db2.gz XOMNVPZVDYWOSW-YDZHTSKRSA-N -1 0 421.409 4.327 40 30 HIEBRM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1C ZINC000100538365 560725261 /nfs/dbraw/zinc/72/52/61/560725261.db2.gz OTVWQQPUHZGRHF-PTGBLXJZSA-N -1 0 420.454 4.217 40 30 HIEBRM CCc1ccc(/N=C2\NC(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)S2)cc1 ZINC000003639619 560734029 /nfs/dbraw/zinc/73/40/29/560734029.db2.gz IFRJTLKJMLMLCQ-ODLFYWEKSA-N -1 0 405.479 4.180 40 30 HIEBRM C=CCn1c(-c2ccccc2)csc1=Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000005807882 568965758 /nfs/dbraw/zinc/96/57/58/568965758.db2.gz ZWFJABXRNTVYNK-UHFFFAOYSA-O -1 0 408.503 4.436 40 30 HIEBRM CCOC(=O)c1sc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1C ZINC000006046996 568976237 /nfs/dbraw/zinc/97/62/37/568976237.db2.gz SVMVAKWRXQHARC-UHFFFAOYSA-N -1 0 404.316 4.053 40 30 HIEBRM COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccccc3C#N)o2)c1[N+](=O)[O-] ZINC000033634567 569350820 /nfs/dbraw/zinc/35/08/20/569350820.db2.gz XCDUYEGOWQDRBF-SOFGYWHQSA-N -1 0 402.366 4.016 40 30 HIEBRM Cc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccccc3Cl)c(C#N)c2=O)cc1C ZINC000409196891 569386672 /nfs/dbraw/zinc/38/66/72/569386672.db2.gz RXDNZVIICIOMAR-NTMALXAHSA-N -1 0 405.841 4.243 40 30 HIEBRM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2OC)cc1 ZINC000012464379 569401522 /nfs/dbraw/zinc/40/15/22/569401522.db2.gz NXSONVGSGHNKHH-GRSHGNNSSA-N -1 0 419.304 4.270 40 30 HIEBRM CCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000210585427 571049140 /nfs/dbraw/zinc/04/91/40/571049140.db2.gz PGENXSCPYLGYLV-RTPPHFGYSA-N -1 0 412.467 4.026 40 30 HIEBRM [O-]c1c(Br)cc(C=NNc2ccccc2)cc1I ZINC000016488161 526321411 /nfs/dbraw/zinc/32/14/11/526321411.db2.gz KGUKIBREZROKSE-LZYBPNLTSA-N -1 0 417.044 4.205 40 30 HIEBRM CSc1cc(Cl)c(C)cc1S(=O)([O-])=NC(=O)NNc1ccc(Cl)cc1 ZINC000001857851 557292414 /nfs/dbraw/zinc/29/24/14/557292414.db2.gz RAWBSQZNHZUTEQ-UHFFFAOYSA-N -1 0 420.343 4.243 40 30 HIEBRM O=C([O-])COc1ccccc1/C=C1/SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O ZINC000408749659 557813373 /nfs/dbraw/zinc/81/33/73/557813373.db2.gz RXBYPRVHDSNQLG-VIZOYTHASA-N -1 0 423.277 4.348 40 30 HIEBRM C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N=C1c1c([O-])c2ccccc2oc1=O ZINC000104269241 559159622 /nfs/dbraw/zinc/15/96/22/559159622.db2.gz PFEHTPBUONTSDE-VIDQGISLSA-N -1 0 411.870 4.467 40 30 HIEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1Cl ZINC000408807027 560642746 /nfs/dbraw/zinc/64/27/46/560642746.db2.gz JVFFWJRIQFUMJR-LFIBNONCSA-N -1 0 410.857 4.188 40 30 HIEBRM C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408811315 560644117 /nfs/dbraw/zinc/64/41/17/560644117.db2.gz BIDSCZLHHMBJRW-UNOMPAQXSA-N -1 0 409.463 4.358 40 30 HIEBRM Cc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1[N+](=O)[O-] ZINC000408931593 560655034 /nfs/dbraw/zinc/65/50/34/560655034.db2.gz NQKUJBNIGGRUSC-VGGFPCPZSA-N -1 0 411.439 4.144 40 30 HIEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000408962240 560658388 /nfs/dbraw/zinc/65/83/88/560658388.db2.gz XOQCKWTWRPUMCX-KEBDBYFISA-N -1 0 410.342 4.216 40 30 HIEBRM O=C([O-])c1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c1 ZINC000408987764 560661868 /nfs/dbraw/zinc/66/18/68/560661868.db2.gz BYDBNOSSOUCVPW-PTNGSMBKSA-N -1 0 423.475 4.416 40 30 HIEBRM C#CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1CC=C ZINC000059135553 568701094 /nfs/dbraw/zinc/70/10/94/568701094.db2.gz LKPBXRJRSJYGBY-XMHGGMMESA-N -1 0 404.397 4.073 40 30 HIEBRM N#Cc1c(=O)n(-c2ccc(Cl)cc2)nc(C(=O)[O-])c1/C=C\c1ccccc1Cl ZINC000409204484 569386834 /nfs/dbraw/zinc/38/68/34/569386834.db2.gz HYLHBJSPSBRKMI-YHYXMXQVSA-N -1 0 412.232 4.280 40 30 HIEBRM CCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)[O-] ZINC000100933431 520012065 /nfs/dbraw/zinc/01/20/65/520012065.db2.gz ACTCCLFXGJCHSZ-UHFFFAOYSA-N -1 0 420.587 4.075 40 30 HIEBRM C[C@@H](Oc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)[O-] ZINC000033746723 525917501 /nfs/dbraw/zinc/91/75/01/525917501.db2.gz XPXQYTMSYFEEPC-WIWNTQSISA-N -1 0 402.859 4.084 40 30 HIEBRM NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1 ZINC000006276852 557697655 /nfs/dbraw/zinc/69/76/55/557697655.db2.gz NQBXRVAOKPBPCH-YDZHTSKRSA-N -1 0 406.467 4.297 40 30 HIEBRM CCc1ccc(N=C2NC(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)S2)cc1 ZINC000408755711 557817473 /nfs/dbraw/zinc/81/74/73/557817473.db2.gz MKVQUJNMSCKCEV-UZNZLNSGSA-N -1 0 404.495 4.022 40 30 HIEBRM C/C(=N\c1c(O)cc(S(=O)(=O)[O-])c2ccccc21)c1cc2ccccc2oc1=O ZINC000016137277 558773445 /nfs/dbraw/zinc/77/34/45/558773445.db2.gz HQMQZGQNJPPDTM-WSDLNYQXSA-N -1 0 409.419 4.039 40 30 HIEBRM CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1 ZINC000019144698 558846551 /nfs/dbraw/zinc/84/65/51/558846551.db2.gz NUVBMYRTQDLPFX-NRFGWYQLSA-N -1 0 417.845 4.458 40 30 HIEBRM CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O ZINC000033575621 559214255 /nfs/dbraw/zinc/21/42/55/559214255.db2.gz GORNQSBZZYDJBC-MHWRWJLKSA-N -1 0 422.510 4.228 40 30 HIEBRM C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1CC=C ZINC000408771941 560639158 /nfs/dbraw/zinc/63/91/58/560639158.db2.gz KHBVKNHVWKWGLX-XMHGGMMESA-N -1 0 422.868 4.300 40 30 HIEBRM C=CCc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OCC(=O)[O-] ZINC000408853199 560646986 /nfs/dbraw/zinc/64/69/86/560646986.db2.gz ZQMHXJXBRPZOLT-UFFVCSGVSA-N -1 0 404.806 4.199 40 30 HIEBRM C#CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O ZINC000408869713 560648853 /nfs/dbraw/zinc/64/88/53/560648853.db2.gz RFUSOGUBBMTMFC-PGMHBOJBSA-N -1 0 424.456 4.081 40 30 HIEBRM CCN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)S/C1=N\c1c(C)cccc1C ZINC000408906349 560652021 /nfs/dbraw/zinc/65/20/21/560652021.db2.gz INBWLFPSGDOIDX-PUGVQKEDSA-N -1 0 410.495 4.391 40 30 HIEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)N2C(C)C)cc1 ZINC000408907908 560652125 /nfs/dbraw/zinc/65/21/25/560652125.db2.gz CKYBDEFPEVIGEF-FFXWWKDOSA-N -1 0 410.495 4.471 40 30 HIEBRM O=C([O-])COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000408931712 560655007 /nfs/dbraw/zinc/65/50/07/560655007.db2.gz PHQXLFGGWWTZIF-SSDVNMTOSA-N -1 0 409.269 4.044 40 30 HIEBRM O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(O)c(I)c2)c1 ZINC000408962873 560658541 /nfs/dbraw/zinc/65/85/41/560658541.db2.gz KTIJQUXAXSWPBN-REZTVBANSA-N -1 0 401.587 4.099 40 30 HIEBRM Cc1c(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c2ccccc2n1C ZINC000409060978 560672680 /nfs/dbraw/zinc/67/26/80/560672680.db2.gz XLZSOOGXVFBIPP-FFXWWKDOSA-N -1 0 405.479 4.419 40 30 HIEBRM C=CCOc1ccc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000409071697 560673394 /nfs/dbraw/zinc/67/33/94/560673394.db2.gz HXYAUEXZAKKJCP-UHFFFAOYSA-N -1 0 421.493 4.140 40 30 HIEBRM C=CCOc1ccccc1C1C2=C(CCCC2=O)N(CCC(=O)[O-])C2=C1C(=O)CCC2 ZINC000409072027 560673416 /nfs/dbraw/zinc/67/34/16/560673416.db2.gz AGCBLKPKLDJJRF-UHFFFAOYSA-N -1 0 421.493 4.140 40 30 HIEBRM C=CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 ZINC000409228110 560698312 /nfs/dbraw/zinc/69/83/12/560698312.db2.gz UEDOIHLGENESTB-SFQUDFHCSA-N -1 0 419.868 4.456 40 30 HIEBRM C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CC[C@@H](O)[C@@](C)(COC(=O)CCC(=O)[O-])[C@@H]1CC3 ZINC000008617627 568982339 /nfs/dbraw/zinc/98/23/39/568982339.db2.gz QRCWTENDAKYOOH-RXOZFGASSA-N -1 0 404.547 4.334 40 30 HIEBRM CCCc1nc(SC(=Cc2ccc(OCc3ccccc3C#N)cc2)C(=O)[O-])n[nH]1 ZINC000408631450 569386153 /nfs/dbraw/zinc/38/61/53/569386153.db2.gz JFPJNJBVWSMASQ-UNOMPAQXSA-N -1 0 420.494 4.426 40 30 HIEBRM COc1ccccc1-n1nc(C(=O)[O-])c(/C=C\c2ccc(C(C)C)cc2)c(C#N)c1=O ZINC000409197687 569386708 /nfs/dbraw/zinc/38/67/08/569386708.db2.gz MDWIPGVRVCULLV-RAXLEYEMSA-N -1 0 415.449 4.105 40 30 HIEBRM COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1[N+](=O)[O-] ZINC000409204938 569386954 /nfs/dbraw/zinc/38/69/54/569386954.db2.gz MHXGQGQEXIJOSV-SOFGYWHQSA-N -1 0 422.353 4.052 40 30 HIEBRM