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416.817 2.556 50 10 HFCAMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccccc1 ZINC000004670444 558880926 /nfs/dbraw/zinc/88/09/26/558880926.db2.gz QEJPFTZXCJHTRB-UHFFFAOYSA-N -1 1 416.817 2.556 50 10 HFCAMM COC(=O)c1cccc(NC=C2C(=O)[N-]C(=S)N(CCC3=CCCCC3)C2=O)c1 ZINC000005489597 560597873 /nfs/dbraw/zinc/59/78/73/560597873.db2.gz ORLYOXCYQPJNOG-GHRIWEEISA-N -1 1 413.499 2.903 50 10 HFCAMM C[C@H]1CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 ZINC000012536128 568845480 /nfs/dbraw/zinc/84/54/80/568845480.db2.gz UOOOUAOFUYLQGM-ZDUSSCGKSA-N -1 1 419.459 2.973 50 10 HFCAMM Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000008741348 132332858 /nfs/dbraw/zinc/33/28/58/132332858.db2.gz KPQVFBBYXFORNB-UHFFFAOYSA-N -1 1 410.499 2.685 50 10 HFCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000008741348 132332861 /nfs/dbraw/zinc/33/28/61/132332861.db2.gz KPQVFBBYXFORNB-UHFFFAOYSA-N -1 1 410.499 2.685 50 10 HFCAMM 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ZINC000005054544 559237440 /nfs/dbraw/zinc/23/74/40/559237440.db2.gz DJPAWGWQVLRQBD-YBEGLDIGSA-N -1 1 412.471 2.957 50 10 HFCAMM CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C1=O ZINC000005781442 568718281 /nfs/dbraw/zinc/71/82/81/568718281.db2.gz GYZPXNKNXOQLQK-NVNXTCNLSA-N -1 1 415.833 2.927 50 10 HFCAMM CCOC(=O)c1c(NC=C2C(=O)[N-]C(=S)NC2=O)sc(C)c1-c1cccs1 ZINC000002648424 568795711 /nfs/dbraw/zinc/79/57/11/568795711.db2.gz PRNTWXPRCVCXOC-UHFFFAOYSA-N -1 1 421.525 2.788 50 10 HFCAMM CCCN1C(=O)C(=CNc2sc3c(c2C(=O)OCC)CCCC3)C(=O)[N-]C1=S ZINC000006907433 569178456 /nfs/dbraw/zinc/17/84/56/569178456.db2.gz YPTUSWLXVJMWGF-ZRDIBKRKSA-N -1 1 421.544 2.753 50 10 HFCAMM COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc([O-])c(O)c4oc3=O)c2c1 ZINC000008878692 571130914 /nfs/dbraw/zinc/13/09/14/571130914.db2.gz DGSIOQIBBKJSPX-UHFFFAOYSA-N -1 1 422.437 2.904 50 10 biogenic HFCAMM Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000002814083 132257987 /nfs/dbraw/zinc/25/79/87/132257987.db2.gz MVWVGAHEKKTOHW-HNEYUBDGSA-N -1 1 410.451 2.678 50 10 HFCAMM Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)c1C ZINC000009263199 132337758 /nfs/dbraw/zinc/33/77/58/132337758.db2.gz MKXLYMDRPPNJHT-RQNDZEIBSA-N -1 1 424.478 2.987 50 10 HFCAMM COc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000002068557 557306440 /nfs/dbraw/zinc/30/64/40/557306440.db2.gz OVEZQOPOJAHXCF-UHFFFAOYSA-N -1 1 413.411 2.937 50 10 HFCAMM COc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000002068557 557306442 /nfs/dbraw/zinc/30/64/42/557306442.db2.gz OVEZQOPOJAHXCF-UHFFFAOYSA-N -1 1 413.411 2.937 50 10 HFCAMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000002068557 557306446 /nfs/dbraw/zinc/30/64/46/557306446.db2.gz OVEZQOPOJAHXCF-UHFFFAOYSA-N -1 1 413.411 2.937 50 10 HFCAMM O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000022034028 558985337 /nfs/dbraw/zinc/98/53/37/558985337.db2.gz 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O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N1 ZINC000001193684 560727769 /nfs/dbraw/zinc/72/77/69/560727769.db2.gz HDXQHXYPYPHLKH-UHFFFAOYSA-N -1 1 419.206 2.917 50 10 HFCAMM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1 ZINC000001193684 560727770 /nfs/dbraw/zinc/72/77/70/560727770.db2.gz HDXQHXYPYPHLKH-UHFFFAOYSA-N -1 1 419.206 2.917 50 10 HFCAMM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1 ZINC000001193684 560727772 /nfs/dbraw/zinc/72/77/72/560727772.db2.gz HDXQHXYPYPHLKH-UHFFFAOYSA-N -1 1 419.206 2.917 50 10 HFCAMM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1 ZINC000001063116 568766509 /nfs/dbraw/zinc/76/65/09/568766509.db2.gz ZPDXPMCOQLKMNC-UHFFFAOYSA-N -1 1 419.206 2.917 50 10 HFCAMM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1 ZINC000001063116 568766511 /nfs/dbraw/zinc/76/65/11/568766511.db2.gz ZPDXPMCOQLKMNC-UHFFFAOYSA-N -1 1 419.206 2.917 50 10 HFCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000012729959 568921435 /nfs/dbraw/zinc/92/14/35/568921435.db2.gz RVSHTIRVZIHMIC-GDNBJRDFSA-N -1 1 407.494 2.952 50 10 HFCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004543683 132278368 /nfs/dbraw/zinc/27/83/68/132278368.db2.gz RQEOTCITDGAHRT-UHFFFAOYSA-N -1 1 408.439 2.912 50 10 HFCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004543683 132278369 /nfs/dbraw/zinc/27/83/69/132278369.db2.gz RQEOTCITDGAHRT-UHFFFAOYSA-N -1 1 408.439 2.912 50 10 HFCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000004543683 132278370 /nfs/dbraw/zinc/27/83/70/132278370.db2.gz RQEOTCITDGAHRT-UHFFFAOYSA-N -1 1 408.439 2.912 50 10 HFCAMM Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)c1C ZINC000006565983 132311684 /nfs/dbraw/zinc/31/16/84/132311684.db2.gz MKXLYMDRPPNJHT-MPMPPSQCSA-N -1 1 424.478 2.987 50 10 HFCAMM COC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@@H](C(C)(C)C)CC2 ZINC000017112760 558822766 /nfs/dbraw/zinc/82/27/66/558822766.db2.gz ZAMIMLJGVUASHV-VIFPVBQESA-N -1 1 421.544 2.512 50 10 HFCAMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000001062128 568766431 /nfs/dbraw/zinc/76/64/31/568766431.db2.gz IAMRSSAJXVADRC-UHFFFAOYSA-N -1 1 400.431 2.718 50 10 HFCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000001177635 568821437 /nfs/dbraw/zinc/82/14/37/568821437.db2.gz CSJYCWOGYNSGJD-UHFFFAOYSA-N -1 1 417.284 2.942 50 10 HFCAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc21 ZINC000064861780 569110483 /nfs/dbraw/zinc/11/04/83/569110483.db2.gz VSRJUDIEIWLIKO-UHFFFAOYSA-N -1 1 403.460 2.698 50 10 HFCAMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000000685064 557058351 /nfs/dbraw/zinc/05/83/51/557058351.db2.gz KWGCEZAYOYZTIZ-UHFFFAOYSA-N -1 1 420.849 2.981 50 10 HFCAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([O-])c(Sc2nc[nH]n2)c1 ZINC000015919301 558761837 /nfs/dbraw/zinc/76/18/37/558761837.db2.gz ROGMLDFSXQITLL-UHFFFAOYSA-N -1 1 407.433 2.679 50 10 HFCAMM COc1ccc(-c2c(C)c3ccc([O-])c(CN4CCN(CCO)CC4)c3oc2=O)cc1 ZINC000020605092 568636327 /nfs/dbraw/zinc/63/63/27/568636327.db2.gz WMMPGJFLDAWZAS-UHFFFAOYSA-N -1 1 424.497 2.593 50 10 HFCAMM COC(=O)Cc1c(C)c2ccc([O-])c(CNc3ccc4c(c3)OCCO4)c2oc1=O ZINC000008764576 571115085 /nfs/dbraw/zinc/11/50/85/571115085.db2.gz TXJVRKJJOZTYRL-UHFFFAOYSA-N -1 1 411.410 2.906 50 10 biogenic HFCAMM CCOc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[n-]n32)cc1 ZINC000015732624 568982801 /nfs/dbraw/zinc/98/28/01/568982801.db2.gz WPMVLQNJSCOXAI-UHFFFAOYSA-N -1 1 411.443 2.807 50 10 HFCAMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCc1ccccc1Cl ZINC000001220168 560727965 /nfs/dbraw/zinc/72/79/65/560727965.db2.gz UPTXKXJDKFWUQJ-UHFFFAOYSA-N -1 1 402.859 2.842 50 10 HFCAMM Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cn1 ZINC000096114707 568694251 /nfs/dbraw/zinc/69/42/51/568694251.db2.gz VBIIPPAAVOBOMA-LBPRGKRZSA-N -1 1 420.377 2.751 50 10 biogenic HFCAMM Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cn1 ZINC000096114708 568694380 /nfs/dbraw/zinc/69/43/80/568694380.db2.gz VBIIPPAAVOBOMA-GFCCVEGCSA-N -1 1 420.377 2.751 50 10 biogenic HFCAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000028257028 568783716 /nfs/dbraw/zinc/78/37/16/568783716.db2.gz ASJGLBLJUJNSMV-UHFFFAOYSA-N -1 1 419.868 2.729 50 10 HFCAMM Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)c(C)c1 ZINC000002979037 132261051 /nfs/dbraw/zinc/26/10/51/132261051.db2.gz ZTORDMOINPMZIK-SWEABUAFSA-N -1 1 424.478 2.987 50 10 HFCAMM CCc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000009311462 132338509 /nfs/dbraw/zinc/33/85/09/132338509.db2.gz MPJDNUYJFTXQPH-FDIDITGRSA-N -1 1 424.478 2.932 50 10 HFCAMM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c1C ZINC000001161738 557218835 /nfs/dbraw/zinc/21/88/35/557218835.db2.gz DHGKDNOMQYBIEN-UHFFFAOYSA-N -1 1 400.416 2.766 50 10 HFCAMM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c1C ZINC000001161738 557218838 /nfs/dbraw/zinc/21/88/38/557218838.db2.gz DHGKDNOMQYBIEN-UHFFFAOYSA-N -1 1 400.416 2.766 50 10 HFCAMM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)NC2=O)c1C ZINC000001161738 557218840 /nfs/dbraw/zinc/21/88/40/557218840.db2.gz DHGKDNOMQYBIEN-UHFFFAOYSA-N -1 1 400.416 2.766 50 10 HFCAMM Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100149916 559164605 /nfs/dbraw/zinc/16/46/05/559164605.db2.gz FTKFJVSVRJFQAR-KTZOAPACSA-N -1 1 422.828 2.888 50 10 HFCAMM CC1=NN(c2ccccc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1[O-] ZINC000110166348 560562667 /nfs/dbraw/zinc/56/26/67/560562667.db2.gz UCDKVMBDNPUDDV-LFIBNONCSA-N -1 1 422.828 2.691 50 10 HFCAMM O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc([O-])c(O)c1 ZINC000031746829 568930139 /nfs/dbraw/zinc/93/01/39/568930139.db2.gz KNAOZPAYBLGSRG-UHFFFAOYSA-N -1 1 408.501 2.642 50 10 HFCAMM 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CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O ZINC000013590370 569256584 /nfs/dbraw/zinc/25/65/84/569256584.db2.gz FMPSYCGTWSQOMQ-WJDWOHSUSA-N -1 1 422.828 2.691 50 10 HFCAMM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2)c1[O-] ZINC000013590370 569256585 /nfs/dbraw/zinc/25/65/85/569256585.db2.gz FMPSYCGTWSQOMQ-WJDWOHSUSA-N -1 1 422.828 2.691 50 10 HFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002251055 569323977 /nfs/dbraw/zinc/32/39/77/569323977.db2.gz UAKTUICKUDCXHI-QPEQYQDCSA-N -1 1 418.862 2.912 50 10 HFCAMM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1 ZINC000001206580 557241257 /nfs/dbraw/zinc/24/12/57/557241257.db2.gz GXTALSDBZCJOPU-UHFFFAOYSA-N -1 1 419.206 2.917 50 10 HFCAMM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1 ZINC000001206580 557241260 /nfs/dbraw/zinc/24/12/60/557241260.db2.gz GXTALSDBZCJOPU-UHFFFAOYSA-N -1 1 419.206 2.917 50 10 HFCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000001220894 557248498 /nfs/dbraw/zinc/24/84/98/557248498.db2.gz IZPKBOCWCKUXSY-UHFFFAOYSA-N -1 1 417.284 2.942 50 10 HFCAMM O=c1oc2c(ccc([O-])c2CN2CCN(CCO)CC2)cc1-c1ccc(Cl)cc1 ZINC000020605085 568636352 /nfs/dbraw/zinc/63/63/52/568636352.db2.gz NLWZYHRABMWJTR-UHFFFAOYSA-N -1 1 414.889 2.929 50 10 HFCAMM CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[n-]n32)c1 ZINC000015732631 568982853 /nfs/dbraw/zinc/98/28/53/568982853.db2.gz NCIPHKAGHCIQCG-UHFFFAOYSA-N -1 1 409.427 2.611 50 10 HFCAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000013914435 558602147 /nfs/dbraw/zinc/60/21/47/558602147.db2.gz KDJSAWZMZZJQST-YVLHZVERSA-N -1 1 414.508 2.879 50 10 HFCAMM CCCCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@@H](C)CC2 ZINC000017270487 560706562 /nfs/dbraw/zinc/70/65/62/560706562.db2.gz STFBPFMHNNBXNR-JTQLQIEISA-N -1 1 421.544 2.657 50 10 HFCAMM CCCCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@H](C)CC2 ZINC000017270491 560706591 /nfs/dbraw/zinc/70/65/91/560706591.db2.gz STFBPFMHNNBXNR-SNVBAGLBSA-N -1 1 421.544 2.657 50 10 HFCAMM O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)NCc1ccc(Cl)cc1 ZINC000021537492 568712739 /nfs/dbraw/zinc/71/27/39/568712739.db2.gz KVVUORTVNGVKJG-UHFFFAOYSA-N -1 1 415.862 2.740 50 10 HFCAMM COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000004180448 568949271 /nfs/dbraw/zinc/94/92/71/568949271.db2.gz CKRDHLGUEYHUNO-VGOFMYFVSA-N -1 1 416.817 2.582 50 10 HFCAMM