smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N+](=O)[O-])cc1N=Cc1cc(Br)ccc1[O-] ZINC000252460917 938830922 /nfs/dbraw/zinc/83/09/22/938830922.db2.gz JDZGZZJACVSFLU-UHFFFAOYSA-N -1 3 351.156 3.822 50 30 FHEAHM C=CCc1cccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1[O-] ZINC000002389716 204036561 /nfs/dbraw/zinc/03/65/61/204036561.db2.gz HDFFVKRDGYAKET-RGVLZGJSSA-N -1 3 354.410 3.689 50 30 FHEAHM Cc1nc2ccccc2c(=O)n1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1 ZINC000002317725 204033808 /nfs/dbraw/zinc/03/38/08/204033808.db2.gz LPEZOVFEHBQZGJ-FSJBWODESA-N -1 3 373.412 3.918 50 30 FHEAHM N#Cc1c([N-]C(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000004699761 204156761 /nfs/dbraw/zinc/15/67/61/204156761.db2.gz OAQWVKBSLYZKLL-UHFFFAOYSA-N -1 3 361.879 3.889 50 30 FHEAHM COc1cc(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000004739386 204159855 /nfs/dbraw/zinc/15/98/55/204159855.db2.gz WMAJWYDNMWUTLX-LZYBPNLTSA-N -1 3 366.171 3.518 50 30 FHEAHM O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000005888569 204229110 /nfs/dbraw/zinc/22/91/10/204229110.db2.gz XKZCGFUZTXRXIQ-INIZCTEOSA-N -1 3 362.410 3.926 50 30 FHEAHM O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000005888515 204229983 /nfs/dbraw/zinc/22/99/83/204229983.db2.gz XKZCGFUZTXRXIQ-MRXNPFEDSA-N -1 3 362.410 3.926 50 30 FHEAHM CC(C)c1nc(C#N)c([N-]N=Cc2coc3ccc(Cl)cc3c2=O)o1 ZINC000006633926 204256939 /nfs/dbraw/zinc/25/69/39/204256939.db2.gz SSURSAARZQDJMH-IFRROFPPSA-N -1 3 356.769 3.875 50 30 FHEAHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnn(-c4ccccc4)n3)sc2C1 ZINC000007717878 204303932 /nfs/dbraw/zinc/30/39/32/204303932.db2.gz POAHJSJSFSEWMB-GFCCVEGCSA-N -1 3 363.446 3.578 50 30 FHEAHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000009954599 204387323 /nfs/dbraw/zinc/38/73/23/204387323.db2.gz YYYIZKKNNDXHTC-UHFFFAOYSA-N -1 3 373.456 3.608 50 30 FHEAHM CCn1ncc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)c1C ZINC000006556027 263345977 /nfs/dbraw/zinc/34/59/77/263345977.db2.gz UVKAJEWPCYRDKH-AATRIKPKSA-N -1 3 365.227 3.584 50 30 FHEAHM CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000017075365 522428551 /nfs/dbraw/zinc/42/85/51/522428551.db2.gz MONBCPSRXDYPCK-ZGXHQARYSA-N -1 3 366.870 3.872 50 30 FHEAHM O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccccc1[O-] ZINC000000716050 570452527 /nfs/dbraw/zinc/45/25/27/570452527.db2.gz SDSDLMYECOVHLV-OEAKJJBVSA-N -1 3 371.396 3.563 50 30 FHEAHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccccc1Br ZINC000001041948 570475398 /nfs/dbraw/zinc/47/53/98/570475398.db2.gz GDBJHOUZVNOFOS-LBPRGKRZSA-N -1 3 354.207 3.826 50 30 FHEAHM COC(=O)c1cccc(/N=C/c2cc(Br)cc(OC)c2[O-])c1 ZINC000100278692 570502276 /nfs/dbraw/zinc/50/22/76/570502276.db2.gz KUWRACDEQVRCPO-GIJQJNRQSA-N -1 3 364.195 3.701 50 30 FHEAHM Cc1cccc2c3nnc(N=NCc4cc(Cl)ccc4[O-])nc3[nH]c21 ZINC000015016820 570829400 /nfs/dbraw/zinc/82/94/00/570829400.db2.gz GAWVHKHUAUCCKJ-UFWORHAWSA-N -1 3 352.785 3.620 50 30 FHEAHM O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000102801242 570838965 /nfs/dbraw/zinc/83/89/65/570838965.db2.gz UOJKPWUROUAEFY-WOOAAIBNSA-N -1 3 374.371 3.847 50 30 FHEAHM CCOc1ccc(NC(=O)c2c[nH]nc2N=Cc2ccccc2[O-])cc1 ZINC000021658601 570932491 /nfs/dbraw/zinc/93/24/91/570932491.db2.gz VXCHZVQUAKJWLK-RGVLZGJSSA-N -1 3 350.378 3.517 50 30 FHEAHM CCOC(=O)c1c(/N=C/c2ccc(C)cc2[O-])sc2c1CCN(C)C2 ZINC000001300927 571048251 /nfs/dbraw/zinc/04/82/51/571048251.db2.gz PONQXJAJTRDYCU-KEBDBYFISA-N -1 3 358.463 3.677 50 30 FHEAHM C=CCOC(=O)c1sc2[n-]c(Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000006550572 571208740 /nfs/dbraw/zinc/20/87/40/571208740.db2.gz RKSLEUUBPYZRAX-UHFFFAOYSA-N -1 3 374.849 3.880 50 30 FHEAHM C=CCSc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000007594338 571279172 /nfs/dbraw/zinc/27/91/72/571279172.db2.gz NMTWBECFGIMHLC-UHFFFAOYSA-N -1 3 356.816 3.630 50 30 FHEAHM N#Cc1c([N-]C(=S)NC(=O)C=Cc2ccc(F)cc2)sc2c1CCC2 ZINC000000711414 571319176 /nfs/dbraw/zinc/31/91/76/571319176.db2.gz PSTRRIHEBZOKPK-RMKNXTFCSA-N -1 3 371.462 3.774 50 30 FHEAHM COc1cc(-c2cc(-c3cc(C)oc3C)nc(N)c2C#N)cc(OC)c1[O-] ZINC000067956180 571321894 /nfs/dbraw/zinc/32/18/94/571321894.db2.gz VLVJOJRTWDIDFS-UHFFFAOYSA-N -1 3 365.389 3.802 50 30 FHEAHM CC1CCN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cn2)CC1 ZINC000095468934 571330572 /nfs/dbraw/zinc/33/05/72/571330572.db2.gz CHKQPZSDYFDWST-KRWDZBQOSA-N -1 3 373.460 3.695 50 30 FHEAHM CC(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C)[nH]n1 ZINC000100314770 929402912 /nfs/dbraw/zinc/40/29/12/929402912.db2.gz UYIXQQPGWUSDJI-YWEYNIOJSA-N -1 3 366.208 3.747 50 30 FHEAHM N#Cc1c([N-]C(=O)c2cc(-c3ccccc3O)on2)sc2c1CCC2 ZINC000002465686 204041793 /nfs/dbraw/zinc/04/17/93/204041793.db2.gz MCVFRJOVZVITNY-UHFFFAOYSA-N -1 3 351.387 3.721 50 30 FHEAHM COc1cccc(C=Nc2ccccc2-c2n[n-]c(=S)[nH]c2=O)c1OC ZINC000003189786 204080785 /nfs/dbraw/zinc/08/07/85/204080785.db2.gz NJCOWJGIHHCVNX-VXLYETTFSA-N -1 3 368.418 3.675 50 30 FHEAHM C/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1cc(Cl)ccc1[O-] ZINC000004673368 204152427 /nfs/dbraw/zinc/15/24/27/204152427.db2.gz GYBHFNFDMQLCFN-CIAFOILYSA-N -1 3 355.825 3.984 50 30 FHEAHM CCCCCCCOC(=O)C(C#N)[C@@H](c1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000195533627 206332080 /nfs/dbraw/zinc/33/20/80/206332080.db2.gz YQUYDXZBSKSRRB-QRVBRYPASA-N -1 3 369.465 3.545 50 30 FHEAHM O=C(c1cccs1)C1=C([O-])C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000015921903 526834034 /nfs/dbraw/zinc/83/40/34/526834034.db2.gz IJHCVZIIKVFHNS-GFCCVEGCSA-N -1 3 354.214 3.921 50 30 FHEAHM Clc1ccc(CO/N=C/Cc2nc(-c3cccnc3)n[n-]2)c(Cl)c1 ZINC000005945155 526950126 /nfs/dbraw/zinc/95/01/26/526950126.db2.gz OYBNNMDMQQJUAW-IFRROFPPSA-N -1 3 362.220 3.919 50 30 FHEAHM Clc1ccc(CON=CCc2n[n-]c(-c3cccnc3)n2)c(Cl)c1 ZINC000005945155 526950134 /nfs/dbraw/zinc/95/01/34/526950134.db2.gz OYBNNMDMQQJUAW-IFRROFPPSA-N -1 3 362.220 3.919 50 30 FHEAHM Clc1ccc(CON=CCc2nnc(-c3cccnc3)[n-]2)c(Cl)c1 ZINC000005945155 526950140 /nfs/dbraw/zinc/95/01/40/526950140.db2.gz OYBNNMDMQQJUAW-IFRROFPPSA-N -1 3 362.220 3.919 50 30 FHEAHM COc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000018322986 570823330 /nfs/dbraw/zinc/82/33/30/570823330.db2.gz WPROYJVVXSOJPW-KRWDZBQOSA-N -1 3 357.793 3.838 50 30 FHEAHM COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccc(Cl)cc2)c1 ZINC000018322986 570823333 /nfs/dbraw/zinc/82/33/33/570823333.db2.gz WPROYJVVXSOJPW-KRWDZBQOSA-N -1 3 357.793 3.838 50 30 FHEAHM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)no1 ZINC000102805524 570838240 /nfs/dbraw/zinc/83/82/40/570838240.db2.gz JGZUCISDUCPYFX-GHNGSUTGSA-N -1 3 360.369 3.609 50 30 FHEAHM CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2[O-])C[C@@H]1c1ccc(OC)cc1 ZINC000034600537 570870108 /nfs/dbraw/zinc/87/01/08/570870108.db2.gz DXKGQBZQPLPKPY-WIYYLYMNSA-N -1 3 366.413 3.720 50 30 FHEAHM O=C1[N-]/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1ccc(F)cc1 ZINC000018209079 570876856 /nfs/dbraw/zinc/87/68/56/570876856.db2.gz FZRYJXVHJVTGSH-VYXQJKENSA-N -1 3 361.829 3.643 50 30 FHEAHM Cc1ccc(-c2cc(C(=O)OCc3cn4ccccc4c3C#N)n[n-]2)s1 ZINC000084205742 571078977 /nfs/dbraw/zinc/07/89/77/571078977.db2.gz VURNOPFVOKTCJJ-UHFFFAOYSA-N -1 3 362.414 3.928 50 30 FHEAHM Cc1ccc(-c2cc(C(=O)OCc3cn4ccccc4c3C#N)[n-]n2)s1 ZINC000084205742 571078978 /nfs/dbraw/zinc/07/89/78/571078978.db2.gz VURNOPFVOKTCJJ-UHFFFAOYSA-N -1 3 362.414 3.928 50 30 FHEAHM O=C1[N-]/C(=N/c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000013382037 571119939 /nfs/dbraw/zinc/11/99/39/571119939.db2.gz PXXCPVPYRLIKIV-AWEZNQCLSA-N -1 3 361.810 3.710 50 30 FHEAHM Cc1ccccc1Cc1sc(NN=Cc2ccc(Cl)cc2)nc1[O-] ZINC000006504711 571205876 /nfs/dbraw/zinc/20/58/76/571205876.db2.gz STHIIXWUORFXAC-YODDIOPGSA-N -1 3 357.866 3.813 50 30 FHEAHM CCCCCCCCCCS(=O)(=O)[N-]/N=C/c1ccccc1[N+](=O)[O-] ZINC000098002605 571217648 /nfs/dbraw/zinc/21/76/48/571217648.db2.gz VLFQRXYMQMOGLA-OBGWFSINSA-N -1 3 369.487 3.989 50 30 FHEAHM [O-]c1ccc(I)cc1C=Nc1ccc2n[nH]cc2c1 ZINC000252622084 571288260 /nfs/dbraw/zinc/28/82/60/571288260.db2.gz NOEQHYLMXLMTOZ-UHFFFAOYSA-N -1 3 363.158 3.624 50 30 FHEAHM N#Cc1ccccc1[N-]C(=S)NC(=O)COc1ccc2ccccc2c1 ZINC000000675698 571319097 /nfs/dbraw/zinc/31/90/97/571319097.db2.gz DFRIAJVQCLUPJC-UHFFFAOYSA-N -1 3 361.426 3.603 50 30 FHEAHM C[C@@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020517932 571330465 /nfs/dbraw/zinc/33/04/65/571330465.db2.gz SXNUIQMUHDXGEA-SAGYFLTASA-N -1 3 350.418 3.635 50 30 FHEAHM O=C1[N-]/C(=N\c2ccccn2)S[C@H]1Cc1cc(Cl)ccc1Cl ZINC000001453117 204008580 /nfs/dbraw/zinc/00/85/80/204008580.db2.gz LJBNPTDSLKODJY-LBPRGKRZSA-N -1 3 352.246 3.850 50 30 FHEAHM N#Cc1c([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000001932422 204022629 /nfs/dbraw/zinc/02/26/29/204022629.db2.gz UNBXCLJYXITCQH-UHFFFAOYSA-N -1 3 372.362 3.567 50 30 FHEAHM Cc1c(C#N)c([N-]C(=O)c2ccc(Cl)s2)sc1C(=O)N(C)C ZINC000002768166 204056126 /nfs/dbraw/zinc/05/61/26/204056126.db2.gz ZSQBYLYOJGYVTH-UHFFFAOYSA-N -1 3 353.856 3.597 50 30 FHEAHM CCOc1ccc(C(=O)NC(=S)[N-]c2sc(C)c(C)c2C#N)cc1 ZINC000004554539 204147228 /nfs/dbraw/zinc/14/72/28/204147228.db2.gz NHTOXNGWYPDLFS-UHFFFAOYSA-N -1 3 359.476 3.762 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000005409286 204207364 /nfs/dbraw/zinc/20/73/64/204207364.db2.gz DIKVMMZJRFFMIW-LJQANCHMSA-N -1 3 356.381 3.865 50 30 FHEAHM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005409286 204207369 /nfs/dbraw/zinc/20/73/69/204207369.db2.gz DIKVMMZJRFFMIW-LJQANCHMSA-N -1 3 356.381 3.865 50 30 FHEAHM O=C1[N-]/C(=N/c2ccccn2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000006475622 204250175 /nfs/dbraw/zinc/25/01/75/204250175.db2.gz CMWNAQQAYNOKHR-LBPRGKRZSA-N -1 3 352.246 3.850 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1 ZINC000008564762 204334953 /nfs/dbraw/zinc/33/49/53/204334953.db2.gz AYWWAQZGYZKPDN-INIZCTEOSA-N -1 3 368.389 3.924 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1 ZINC000008564762 204334957 /nfs/dbraw/zinc/33/49/57/204334957.db2.gz AYWWAQZGYZKPDN-INIZCTEOSA-N -1 3 368.389 3.924 50 30 FHEAHM COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C)cc2[O-])C1=O ZINC000036257394 205008326 /nfs/dbraw/zinc/00/83/26/205008326.db2.gz QEHCPTREBNHEJP-LFIBNONCSA-N -1 3 367.426 3.854 50 30 FHEAHM COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccccc2[O-])C1=O ZINC000036257119 205009422 /nfs/dbraw/zinc/00/94/22/205009422.db2.gz MKABAMKEYLJGQA-XNTDXEJSSA-N -1 3 371.389 3.685 50 30 FHEAHM N#CC(=C([O-])c1cc2c(c(Cl)c1)OCO2)c1ccc(C(F)(F)F)cn1 ZINC000041554736 205091487 /nfs/dbraw/zinc/09/14/87/205091487.db2.gz BHTBQOWANOPDMM-JTQLQIEISA-N -1 3 368.698 3.973 50 30 FHEAHM O=c1[n-][nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000018195505 220228186 /nfs/dbraw/zinc/22/81/86/220228186.db2.gz WQLWGHOPFSZGJQ-NSHDSACASA-N -1 3 350.205 3.987 50 30 FHEAHM [O-]c1ccc(Br)cc1CN=Nc1nc2c(s1)CCCC2 ZINC000004749602 206181462 /nfs/dbraw/zinc/18/14/62/206181462.db2.gz MDKCYAYKFNZIRJ-PXNMLYILSA-N -1 3 352.257 3.936 50 30 FHEAHM CCCCCCCCCS(=O)(=O)[N-]/N=C/c1ccc(OC)c(OC)c1 ZINC000033354332 520030261 /nfs/dbraw/zinc/03/02/61/520030261.db2.gz FROAGPAQFSEPRD-XDJHFCHBSA-N -1 3 370.515 3.708 50 30 FHEAHM CCOc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1[O-] ZINC000096920174 520637303 /nfs/dbraw/zinc/63/73/03/520637303.db2.gz CGBKYIYCNHQVCT-HYXAFXHYSA-N -1 3 373.792 3.671 50 30 FHEAHM COc1cc(C(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)ccc1[O-] ZINC000033466986 522051828 /nfs/dbraw/zinc/05/18/28/522051828.db2.gz AHJQECSNXQASTQ-UTCJRWHESA-N -1 3 350.317 3.907 50 30 FHEAHM N#CC(C(=O)Nc1cccc(C(F)(F)F)c1)=C([O-])c1cccc(C#N)c1 ZINC000103503455 526700949 /nfs/dbraw/zinc/70/09/49/526700949.db2.gz ZQQLXJKERHSBFY-HNNXBMFYSA-N -1 3 357.291 3.538 50 30 FHEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 ZINC000012348006 568292486 /nfs/dbraw/zinc/29/24/86/568292486.db2.gz VZZAQIQKMSQOAV-QGZVFWFLSA-N -1 3 363.442 3.792 50 30 FHEAHM O=C1C(=O)N(c2ccccn2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000102801244 570839036 /nfs/dbraw/zinc/83/90/36/570839036.db2.gz UOJKPWUROUAEFY-LFVOPCPISA-N -1 3 374.371 3.847 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102800923 570839079 /nfs/dbraw/zinc/83/90/79/570839079.db2.gz YSFUZBLCESUGLH-WOOAAIBNSA-N -1 3 356.381 3.708 50 30 FHEAHM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000102800923 570839084 /nfs/dbraw/zinc/83/90/84/570839084.db2.gz YSFUZBLCESUGLH-WOOAAIBNSA-N -1 3 356.381 3.708 50 30 FHEAHM O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102858455 570840592 /nfs/dbraw/zinc/84/05/92/570840592.db2.gz DMUGFGUHBBXARI-UYTDBDHRSA-N -1 3 362.410 3.769 50 30 FHEAHM O=C1[N-]/C(=N/N=C/c2ccco2)S[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000018083246 570875287 /nfs/dbraw/zinc/87/52/87/570875287.db2.gz YHDREEMRIJGFSE-NACCWKTGSA-N -1 3 368.245 3.751 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000000846451 571068958 /nfs/dbraw/zinc/06/89/58/571068958.db2.gz ZVPAYKYHGPUOQV-MRXNPFEDSA-N -1 3 350.399 3.785 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O=C(Nc1n[n-]c(SCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000008855580 204347786 /nfs/dbraw/zinc/34/77/86/204347786.db2.gz BZTNSXUYXNGBJR-UHFFFAOYSA-N -1 3 355.379 3.642 50 30 FHEAHM COc1ccccc1-c1nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n[n-]1 ZINC000048362980 205160744 /nfs/dbraw/zinc/16/07/44/205160744.db2.gz ZTPZBMPJAFXGRB-OAHLLOKOSA-N -1 3 370.796 3.725 50 30 FHEAHM Cn1c2ccccc2s/c1=N/N=C/c1cc(Br)ccc1[O-] ZINC000100812892 206225294 /nfs/dbraw/zinc/22/52/94/206225294.db2.gz OMKHBFPPMYCSQH-LMVCELQXSA-N -1 3 362.252 3.643 50 30 FHEAHM O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3[N-][C@H](c3ccccc3F)C12 ZINC000012389094 206290547 /nfs/dbraw/zinc/29/05/47/206290547.db2.gz TVHQTECTFYYQIP-DYZYQPBXSA-N -1 3 366.352 3.781 50 30 FHEAHM O=C1C[C@H](c2ccco2)CC2=Nc3nonc3[N-][C@H](c3ccccc3F)C12 ZINC000012389096 206291037 /nfs/dbraw/zinc/29/10/37/206291037.db2.gz TVHQTECTFYYQIP-BMLIUANNSA-N -1 3 366.352 3.781 50 30 FHEAHM Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccccc2)NCc2ccccc2)n1 ZINC000008491512 524576589 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/nfs/dbraw/zinc/30/42/86/204304286.db2.gz POAHJSJSFSEWMB-LBPRGKRZSA-N -1 3 363.446 3.578 50 30 FHEAHM COc1cc(/C=C2\Cc3c(cccc3O)C2=O)cc(Br)c1[O-] ZINC000009954493 204387905 /nfs/dbraw/zinc/38/79/05/204387905.db2.gz YNADKTOPFFMODY-BJMVGYQFSA-N -1 3 361.191 3.691 50 30 FHEAHM Cc1cc([O-])c(CN2CCC(C)CC2)c2c1C(=O)/C(=C\c1cccnc1)O2 ZINC000037857542 205033193 /nfs/dbraw/zinc/03/31/93/205033193.db2.gz ORDXGXKFAFMEQL-YBFXNURJSA-N -1 3 364.445 3.944 50 30 FHEAHM Cc1ccc(-c2nc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)n[n-]2)s1 ZINC000058228371 205266074 /nfs/dbraw/zinc/26/60/74/205266074.db2.gz GHPFVNSLLPQZRO-CYBMUJFWSA-N -1 3 353.407 3.947 50 30 FHEAHM N#Cc1c(N)nc(-c2ccc([O-])cc2)cc1-c1cccn1-c1cccnc1 ZINC000067674223 205379371 /nfs/dbraw/zinc/37/93/71/205379371.db2.gz LNOVFNAXIKBZLG-UHFFFAOYSA-N -1 3 353.385 3.761 50 30 FHEAHM O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3[N-][C@@H](c3ccccc3F)C12 ZINC000012389093 206291071 /nfs/dbraw/zinc/29/10/71/206291071.db2.gz TVHQTECTFYYQIP-BTDLBPIBSA-N -1 3 366.352 3.781 50 30 FHEAHM Cc1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)o1 ZINC000018200457 206325000 /nfs/dbraw/zinc/32/50/00/206325000.db2.gz UWXSBQZRZHAZTC-HWPZZCPQSA-N -1 3 351.362 3.568 50 30 FHEAHM O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000005409213 263341274 /nfs/dbraw/zinc/34/12/74/263341274.db2.gz AVDNOPLQNQRYKG-KRWDZBQOSA-N -1 3 367.332 3.790 50 30 FHEAHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC ZINC000103503789 522171028 /nfs/dbraw/zinc/17/10/28/522171028.db2.gz SGWYWFBEYGWOLW-CQSZACIVSA-N -1 3 372.808 3.627 50 30 FHEAHM COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C\c1cc(Cl)ccc1[O-] ZINC000108478674 523908502 /nfs/dbraw/zinc/90/85/02/523908502.db2.gz INYIFQCNDLVPRJ-SXOHWRJOSA-N -1 3 356.809 3.730 50 30 FHEAHM O=c1[n-][nH]c2c1[C@H](c1ccc(Br)s1)C1=C(CCCC1=O)N2 ZINC000012348100 568292720 /nfs/dbraw/zinc/29/27/20/568292720.db2.gz VOOMCYSLRQQDDE-LLVKDONJSA-N -1 3 366.240 3.504 50 30 FHEAHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccccc1Br ZINC000001041949 570475419 /nfs/dbraw/zinc/47/54/19/570475419.db2.gz GDBJHOUZVNOFOS-GFCCVEGCSA-N -1 3 354.207 3.826 50 30 FHEAHM COc1ccc(/C=N/c2ccc(I)cc2)cc1[O-] ZINC000100003550 570498130 /nfs/dbraw/zinc/49/81/30/570498130.db2.gz BKMALZGAAYBEKI-CXUHLZMHSA-N -1 3 353.159 3.756 50 30 FHEAHM Cc1ccc(/N=C2/SC(CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000012136827 570721314 /nfs/dbraw/zinc/72/13/14/570721314.db2.gz HMTMTHUUFQSRFI-QBNCKDSPSA-N -1 3 354.431 3.914 50 30 FHEAHM CCCC(=O)[N-]C(NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000012419219 570743782 /nfs/dbraw/zinc/74/37/82/570743782.db2.gz CZWICIGSXZOCNW-UHFFFAOYSA-N -1 3 360.273 3.653 50 30 FHEAHM Cn1c2ccccc2s/c1=N\N=C\c1cc(Br)ccc1[O-] ZINC000013898539 570795887 /nfs/dbraw/zinc/79/58/87/570795887.db2.gz OMKHBFPPMYCSQH-JTWUEKBUSA-N -1 3 362.252 3.643 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000101070004 570804401 /nfs/dbraw/zinc/80/44/01/570804401.db2.gz IXZYQPDDSDFGRS-RBFDBLARSA-N -1 3 372.218 3.938 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000101070004 570804399 /nfs/dbraw/zinc/80/43/99/570804399.db2.gz IXZYQPDDSDFGRS-RBFDBLARSA-N -1 3 372.218 3.938 50 30 FHEAHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000102140937 570827627 /nfs/dbraw/zinc/82/76/27/570827627.db2.gz QANAUOKCWZHAPF-AWEZNQCLSA-N -1 3 353.447 3.763 50 30 FHEAHM COc1cc(/C=N/[O-])cc(Br)c1OCc1ccccc1F ZINC000016195836 570852033 /nfs/dbraw/zinc/85/20/33/570852033.db2.gz NDIVNUFRSHECLK-QGMBQPNBSA-N -1 3 354.175 3.984 50 30 FHEAHM CC/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1[O-] ZINC000017073314 570866164 /nfs/dbraw/zinc/86/61/64/570866164.db2.gz SXIYJDHISJMRNB-ZZEZOPTASA-N -1 3 354.431 3.638 50 30 FHEAHM CC1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccncc2)O3)CC1 ZINC000020533430 570919084 /nfs/dbraw/zinc/91/90/84/570919084.db2.gz BZBXHDVRFIBQRJ-UNOMPAQXSA-N -1 3 350.418 3.635 50 30 FHEAHM C=CCn1c(CN(C)Cc2ccccc2[O-])nnc1SCC(=C)Cl ZINC000014990183 571121590 /nfs/dbraw/zinc/12/15/90/571121590.db2.gz OKDJXLXUWDIQFG-UHFFFAOYSA-N -1 3 364.902 3.646 50 30 FHEAHM Cn1c(C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(Cl)c2)nc2ccccc21 ZINC000097162339 571205562 /nfs/dbraw/zinc/20/55/62/571205562.db2.gz SZWLTIVDLUEAMB-NSHDSACASA-N -1 3 354.753 3.625 50 30 FHEAHM COc1ccc(NC(C)=O)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000252621123 571288238 /nfs/dbraw/zinc/28/82/38/571288238.db2.gz MTJZPTXRXMGQHW-UHFFFAOYSA-N -1 3 363.211 3.872 50 30 FHEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 ZINC000095483065 571331062 /nfs/dbraw/zinc/33/10/62/571331062.db2.gz VZZAQIQKMSQOAV-KRWDZBQOSA-N -1 3 363.442 3.792 50 30 FHEAHM CC1(C)CC2=C(C(=O)C1)[C@@]([O-])(C(F)(F)F)C(=O)N2c1ccc(Cl)cc1 ZINC000002349041 204035408 /nfs/dbraw/zinc/03/54/08/204035408.db2.gz ZHXQVNCDKHMMON-INIZCTEOSA-N -1 3 373.758 3.623 50 30 FHEAHM [O-]c1ccc2ccccc2c1C=NNc1nn2cnnc2c2ccccc21 ZINC000004279460 204129472 /nfs/dbraw/zinc/12/94/72/204129472.db2.gz YAJMLIKFHBOBFF-SRZZPIQSSA-N -1 3 354.373 3.582 50 30 FHEAHM Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ncccn2)cc1 ZINC000004311690 204130667 /nfs/dbraw/zinc/13/06/67/204130667.db2.gz YNELJTRIIVOXHH-SFHVURJKSA-N -1 3 371.396 3.568 50 30 FHEAHM COc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000005669046 204219779 /nfs/dbraw/zinc/21/97/79/204219779.db2.gz WPROYJVVXSOJPW-QGZVFWFLSA-N -1 3 357.793 3.838 50 30 FHEAHM COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccc(Cl)cc2)c1 ZINC000005669046 204219784 /nfs/dbraw/zinc/21/97/84/204219784.db2.gz WPROYJVVXSOJPW-QGZVFWFLSA-N -1 3 357.793 3.838 50 30 FHEAHM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc([O-])cc2)C1=O ZINC000005042425 204186746 /nfs/dbraw/zinc/18/67/46/204186746.db2.gz ITARRCLTLIMJBH-VBKFSLOCSA-N -1 3 367.426 3.936 50 30 FHEAHM O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1ncc(Cl)cc1Cl ZINC000008379821 204329984 /nfs/dbraw/zinc/32/99/84/204329984.db2.gz SLPXIKOSKXIJFW-UHFFFAOYSA-N -1 3 352.137 3.714 50 30 FHEAHM N#CC(=C([O-])c1cc2c(c(Cl)c1)OCO2)c1ccc(C(F)(F)F)cn1 ZINC000041554734 205091045 /nfs/dbraw/zinc/09/10/45/205091045.db2.gz BHTBQOWANOPDMM-SNVBAGLBSA-N -1 3 368.698 3.973 50 30 FHEAHM COc1ccc(C/N=C/c2cc(Br)ccc2[O-])c(OC)c1 ZINC000057411905 205238476 /nfs/dbraw/zinc/23/84/76/205238476.db2.gz KAXZWXFRKJSFOE-VCHYOVAHSA-N -1 3 350.212 3.791 50 30 FHEAHM C=CCn1c(=O)c2ccccc2nc1NN=Cc1c([O-])ccc2ccccc21 ZINC000004737676 263336321 /nfs/dbraw/zinc/33/63/21/263336321.db2.gz DOXJAKNJEYPOAF-OEAKJJBVSA-N -1 3 370.412 3.887 50 30 FHEAHM COc1cc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)ccc1[O-] ZINC000009836418 522050807 /nfs/dbraw/zinc/05/08/07/522050807.db2.gz VZFBQZFUHTVVOH-FNORWQNLSA-N -1 3 365.307 3.798 50 30 FHEAHM COC(=O)c1c(/N=C/c2cc(Cl)ccc2[O-])sc2c1CCN(C)C2 ZINC000000694792 570450906 /nfs/dbraw/zinc/45/09/06/570450906.db2.gz DSCCMMKJKLMOFB-UFWORHAWSA-N -1 3 364.854 3.632 50 30 FHEAHM O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000013477824 570778201 /nfs/dbraw/zinc/77/82/01/570778201.db2.gz DPQWYLXGIKBTOQ-AWEZNQCLSA-N -1 3 361.810 3.710 50 30 FHEAHM CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1)/C(=N\[O-])CCC2 ZINC000013941944 570797966 /nfs/dbraw/zinc/79/79/66/570797966.db2.gz GZRIWWRGSMQCLV-MOSHPQCFSA-N -1 3 358.419 3.692 50 30 FHEAHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1csc2c1CCCC2 ZINC000102145093 570827686 /nfs/dbraw/zinc/82/76/86/570827686.db2.gz LLOXBHWGJNTIKI-AWEZNQCLSA-N -1 3 368.458 3.987 50 30 FHEAHM O=C1[N-]/C(=N\N=C\c2ccco2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000016972762 570864528 /nfs/dbraw/zinc/86/45/28/570864528.db2.gz ICZDBGCTWHNIEE-VFJJTOLMSA-N -1 3 368.245 3.751 50 30 FHEAHM O=C(CCCc1nc(-c2cccs2)no1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000048312106 570944267 /nfs/dbraw/zinc/94/42/67/570944267.db2.gz DAXKENSXJVVWPM-UHFFFAOYSA-N -1 3 372.332 3.546 50 30 FHEAHM O=C(CCCc1nc(-c2cccs2)no1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000048312106 570944270 /nfs/dbraw/zinc/94/42/70/570944270.db2.gz DAXKENSXJVVWPM-UHFFFAOYSA-N -1 3 372.332 3.546 50 30 FHEAHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3)sc2C1 ZINC000000985767 571141514 /nfs/dbraw/zinc/14/15/14/571141514.db2.gz AGBUVBDNPMTXRT-LLVKDONJSA-N -1 3 355.488 3.871 50 30 FHEAHM C=CCOc1c(Cl)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1Cl ZINC000004680521 571159787 /nfs/dbraw/zinc/15/97/87/571159787.db2.gz BKRYHQSBXDMARZ-KPKJPENVSA-N -1 3 371.245 3.665 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 ZINC000019087869 571184482 /nfs/dbraw/zinc/18/44/82/571184482.db2.gz AJEGYZVDGWBKKJ-MRXNPFEDSA-N -1 3 368.389 3.924 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 ZINC000019087869 571184485 /nfs/dbraw/zinc/18/44/85/571184485.db2.gz AJEGYZVDGWBKKJ-MRXNPFEDSA-N -1 3 368.389 3.924 50 30 FHEAHM C=CCc1cccc(/C=N/[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1[O-] ZINC000108215350 571311426 /nfs/dbraw/zinc/31/14/26/571311426.db2.gz FXKNVAGJWQKIKK-AFEQLLIESA-N -1 3 362.429 3.805 50 30 FHEAHM C[C@H](OC(=O)c1ccc(C#N)[n-]1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000162013786 571339119 /nfs/dbraw/zinc/33/91/19/571339119.db2.gz URKIHCBMRATTLM-VIFPVBQESA-N -1 3 362.311 3.710 50 30 FHEAHM C[C@@H](OC(=O)c1ccc(C#N)[n-]1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000162013889 571339155 /nfs/dbraw/zinc/33/91/55/571339155.db2.gz URKIHCBMRATTLM-SECBINFHSA-N -1 3 362.311 3.710 50 30 FHEAHM Cn1nc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c(Cl)c1C(F)(F)F ZINC000002776731 204055507 /nfs/dbraw/zinc/05/55/07/204055507.db2.gz OILHSZJQUNAHGY-UHFFFAOYSA-N -1 3 374.775 3.766 50 30 FHEAHM COc1ccccc1/C=C1/Oc2c(c(C)cc([O-])c2CN2CCCC2)C1=O ZINC000037857502 205033714 /nfs/dbraw/zinc/03/37/14/205033714.db2.gz GKKHQRIMMUTCDA-XDHOZWIPSA-N -1 3 365.429 3.921 50 30 FHEAHM COc1ccccc1-c1nc(NC(=O)C2=NO[C@H](c3ccccc3)C2)n[n-]1 ZINC000055248178 205211598 /nfs/dbraw/zinc/21/15/98/205211598.db2.gz HYSDAHIFSBXQTL-INIZCTEOSA-N -1 3 363.377 3.586 50 30 FHEAHM COc1ccc([C@H]2C(=C([O-])C3CC3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000058306433 205270320 /nfs/dbraw/zinc/27/03/20/205270320.db2.gz AGZWLIQHGVBXBE-IBGZPJMESA-N -1 3 363.413 3.883 50 30 FHEAHM Cc1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)o1 ZINC000018200458 206325182 /nfs/dbraw/zinc/32/51/82/206325182.db2.gz UWXSBQZRZHAZTC-MGPLVRAMSA-N -1 3 351.362 3.568 50 30 FHEAHM O=c1[n-][nH]c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000018195500 263373409 /nfs/dbraw/zinc/37/34/09/263373409.db2.gz AFUKRBYWKCPRLJ-GFCCVEGCSA-N -1 3 350.205 3.987 50 30 FHEAHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000253424336 518507622 /nfs/dbraw/zinc/50/76/22/518507622.db2.gz DTBJPUUIELHCLR-UHFFFAOYSA-N -1 3 370.434 3.571 50 30 FHEAHM C=CCN(Cc1ccc(F)cc1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000055414473 518782756 /nfs/dbraw/zinc/78/27/56/518782756.db2.gz ZXVDIQSAZPHJKJ-UHFFFAOYSA-N -1 3 350.393 3.804 50 30 FHEAHM C=CCN(Cc1ccccc1OCC)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000055307686 518787927 /nfs/dbraw/zinc/78/79/27/518787927.db2.gz GWSVJQBYSOLPOD-UHFFFAOYSA-N -1 3 362.429 3.755 50 30 FHEAHM CSC(=Nc1cccc(SC)c1)[N-]S(=O)(=O)c1cccs1 ZINC000018166771 525286631 /nfs/dbraw/zinc/28/66/31/525286631.db2.gz PNRSMQKXJGBHEA-UHFFFAOYSA-N -1 3 358.535 3.990 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000000677999 570447816 /nfs/dbraw/zinc/44/78/16/570447816.db2.gz VHCBIARSNIAYEU-INIZCTEOSA-N -1 3 372.218 3.938 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000000677999 570447814 /nfs/dbraw/zinc/44/78/14/570447814.db2.gz VHCBIARSNIAYEU-INIZCTEOSA-N -1 3 372.218 3.938 50 30 FHEAHM Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1-c1ccc(Cl)cc1Cl ZINC000005012160 570574922 /nfs/dbraw/zinc/57/49/22/570574922.db2.gz DHQREOGJOHBBIJ-UHFFFAOYSA-N -1 3 359.216 3.586 50 30 FHEAHM O=C1C(=O)N(c2ccccn2)[C@H](c2cccs2)C1=C([O-])c1ccccc1 ZINC000005813895 570636420 /nfs/dbraw/zinc/63/64/20/570636420.db2.gz IOXGVXUFBAOZPS-QGZVFWFLSA-N -1 3 362.410 3.926 50 30 FHEAHM O=C1[N-]/C(=N/N=C/c2ccc(Br)cc2)S[C@H]1c1ccccc1 ZINC000018323507 570833194 /nfs/dbraw/zinc/83/31/94/570833194.db2.gz FNAWFUVYZDQEOE-XKYMITNMSA-N -1 3 374.263 3.743 50 30 FHEAHM Cc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N/c3ccccc3)S2)cc1C ZINC000017159759 570869965 /nfs/dbraw/zinc/86/99/65/570869965.db2.gz JNAJAEHSVDGVRL-INIZCTEOSA-N -1 3 353.447 3.551 50 30 FHEAHM C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H](C)CC)cc1 ZINC000005901484 571167997 /nfs/dbraw/zinc/16/79/97/571167997.db2.gz HQGBEXGFWUNAHY-PXAZEXFGSA-N -1 3 373.478 3.899 50 30 FHEAHM CC1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)CC1 ZINC000020518567 571330651 /nfs/dbraw/zinc/33/06/51/571330651.db2.gz GVBHAIOPSLZJFT-ODLFYWEKSA-N -1 3 350.418 3.635 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000102616149 209238103 /nfs/dbraw/zinc/23/81/03/209238103.db2.gz RARZYWLDHNMAHD-LFVOPCPISA-N -1 3 374.371 3.847 50 30 FHEAHM O=c1[nH]c2c(-c3ccccc3)c([O-])cn2c2scc(-c3ccccc3)c21 ZINC000101914892 209231020 /nfs/dbraw/zinc/23/10/20/209231020.db2.gz OPYANECCMBEGIX-UHFFFAOYSA-N -1 3 358.422 3.916 50 30 FHEAHM COc1cc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)ccc1[O-] ZINC000096931043 209163093 /nfs/dbraw/zinc/16/30/93/209163093.db2.gz VZFBQZFUHTVVOH-ALCCZGGFSA-N -1 3 365.307 3.798 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CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000020624532 571331605 /nfs/dbraw/zinc/33/16/05/571331605.db2.gz LSZSRNOXQAFCOF-UNOMPAQXSA-N -1 3 353.418 3.859 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000001306636 209387406 /nfs/dbraw/zinc/38/74/06/209387406.db2.gz GHRPBQARUDVBKS-INIZCTEOSA-N -1 3 372.218 3.938 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000001306636 209387407 /nfs/dbraw/zinc/38/74/07/209387407.db2.gz GHRPBQARUDVBKS-INIZCTEOSA-N -1 3 372.218 3.938 50 30 FHEAHM COc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1[O-] ZINC000000671261 206822310 /nfs/dbraw/zinc/82/23/10/206822310.db2.gz JDHJUWQSTHPOAO-UHFFFAOYSA-N -1 3 359.175 3.626 50 30 FHEAHM COc1cc(/N=C/c2cc(Br)ccc2[O-])cc(OC)c1OC ZINC000005286871 207091870 /nfs/dbraw/zinc/09/18/70/207091870.db2.gz NJDFLOGYPYOJFW-GIJQJNRQSA-N -1 3 366.211 3.931 50 30 FHEAHM O=C1CS/C(=N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)[N-]1 ZINC000005649275 207111084 /nfs/dbraw/zinc/11/10/84/207111084.db2.gz 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COc1cc(/C=C/C(=O)c2cnn(-c3ccccc3)c2C)cc(OC)c1[O-] ZINC000023609734 521940462 /nfs/dbraw/zinc/94/04/62/521940462.db2.gz NBIHAULHELHRKK-MDZDMXLPSA-N -1 3 364.401 3.800 50 30 FHEAHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1cc(Cl)ccc1[O-] ZINC000108478671 523592522 /nfs/dbraw/zinc/59/25/22/523592522.db2.gz INYIFQCNDLVPRJ-FIJRTHIRSA-N -1 3 356.809 3.730 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000000836109 570459636 /nfs/dbraw/zinc/45/96/36/570459636.db2.gz ZPDBCSBRGPFHKZ-MRXNPFEDSA-N -1 3 372.218 3.938 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000000836109 570459638 /nfs/dbraw/zinc/45/96/38/570459638.db2.gz ZPDBCSBRGPFHKZ-MRXNPFEDSA-N -1 3 372.218 3.938 50 30 FHEAHM Cc1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)o1 ZINC000018200455 570814645 /nfs/dbraw/zinc/81/46/45/570814645.db2.gz UWXSBQZRZHAZTC-QLJPJBMISA-N -1 3 351.362 3.568 50 30 FHEAHM C=CCOc1ccc(-c2nc([O-])c3c4ccccc4c(=O)n(CC)n23)cc1 ZINC000102431913 570832333 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FHEAHM C=CCc1cccc(/C=N/n2cnc3c4cc(C)ccc4[nH]c3c2=O)c1[O-] ZINC000002268794 571294102 /nfs/dbraw/zinc/29/41/02/571294102.db2.gz DVWWGENHESMPMP-FOKLQQMPSA-N -1 3 358.401 3.503 50 30 FHEAHM CC1CCN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cn2)CC1 ZINC000095468933 571330598 /nfs/dbraw/zinc/33/05/98/571330598.db2.gz CHKQPZSDYFDWST-QGZVFWFLSA-N -1 3 373.460 3.695 50 30 FHEAHM CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 ZINC000020518433 571330632 /nfs/dbraw/zinc/33/06/32/571330632.db2.gz NPUWBTHXVVKEBX-WQRHYEAKSA-N -1 3 368.389 3.758 50 30 FHEAHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c1OC ZINC000103504617 209253419 /nfs/dbraw/zinc/25/34/19/209253419.db2.gz FSJCCECDLLSSIZ-KRWDZBQOSA-N -1 3 374.396 3.818 50 30 FHEAHM COc1cc(C=NNc2cccc(Cl)n2)cc(Br)c1[O-] ZINC000004670517 207036518 /nfs/dbraw/zinc/03/65/18/207036518.db2.gz JGOZFXRXKMTMPG-FRKPEAEDSA-N -1 3 356.607 3.658 50 30 FHEAHM COc1cc(CN=Nc2cccc(Cl)n2)cc(Br)c1[O-] ZINC000004670517 207036523 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FHEAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccccc1 ZINC000018125829 570875807 /nfs/dbraw/zinc/87/58/07/570875807.db2.gz LEAQTHKJEHODOF-IBGZPJMESA-N -1 3 372.380 3.570 50 30 FHEAHM C#CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCc2ccccc21 ZINC000052845824 571045211 /nfs/dbraw/zinc/04/52/11/571045211.db2.gz ACNUNXDGGOLADL-GOSISDBHSA-N -1 3 369.424 3.792 50 30 FHEAHM O=C1[N-]/C(=N\c2ccccn2)S[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000001453115 571113795 /nfs/dbraw/zinc/11/37/95/571113795.db2.gz LJBNPTDSLKODJY-GFCCVEGCSA-N -1 3 352.246 3.850 50 30 FHEAHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000063446878 571170184 /nfs/dbraw/zinc/17/01/84/571170184.db2.gz AHUCRWJUGAZMCB-UHFFFAOYSA-N -1 3 354.297 3.550 50 30 FHEAHM O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1ccccc1[O-] ZINC000252627903 571289144 /nfs/dbraw/zinc/28/91/44/571289144.db2.gz SDSDLMYECOVHLV-UHFFFAOYSA-N -1 3 371.396 3.563 50 30 FHEAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000012407784 209566337 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FHEAHM C=C(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(=C)C)c(O)c2)cc1[O-] ZINC000003212574 568117665 /nfs/dbraw/zinc/11/76/65/568117665.db2.gz OJPMOWAMFHBBOQ-UHFFFAOYSA-N -1 3 366.417 3.718 50 30 FHEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@H]2c2ccnc3ccccc32)C1 ZINC000012324496 568179961 /nfs/dbraw/zinc/17/99/61/568179961.db2.gz PKXIJCASOWPXDV-KRWDZBQOSA-N -1 3 361.405 3.840 50 30 FHEAHM O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000000676458 570447359 /nfs/dbraw/zinc/44/73/59/570447359.db2.gz SHQXASDILBDGFB-XSFVSMFZSA-N -1 3 358.463 3.754 50 30 FHEAHM Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccccc1[O-] ZINC000001221243 570495247 /nfs/dbraw/zinc/49/52/47/570495247.db2.gz RSNYUFOOCXWCHS-OEAKJJBVSA-N -1 3 355.397 3.960 50 30 FHEAHM COc1cc(-c2c(C)c([C@H]3CC3(C)C)nc(N)c2C#N)cc(OC)c1[O-] ZINC000071747691 570511426 /nfs/dbraw/zinc/51/14/26/570511426.db2.gz MNZKRXCVVUYARI-CYBMUJFWSA-N -1 3 353.422 3.747 50 30 FHEAHM N#CC(C(=O)Nc1cccc(Cl)c1Cl)=C([O-])C=Cc1nccs1 ZINC000104095893 570856728 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CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\Cc2c(cccc2[O-])C1=O ZINC000207056561 571149580 /nfs/dbraw/zinc/14/95/80/571149580.db2.gz SJYNMCMGWWEEQW-SDNWHVSQSA-N -1 3 374.396 3.577 50 30 FHEAHM COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1[O-] ZINC000016194979 571156672 /nfs/dbraw/zinc/15/66/72/571156672.db2.gz IOBCYWIQTKLRLD-GHXNOFRVSA-N -1 3 374.190 3.508 50 30 FHEAHM C=CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nnc1C1CC1 ZINC000036832832 571263375 /nfs/dbraw/zinc/26/33/75/571263375.db2.gz JYCNWGJFWPVQDS-UHFFFAOYSA-N -1 3 369.446 3.754 50 30 FHEAHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1 ZINC000003348229 571348008 /nfs/dbraw/zinc/34/80/08/571348008.db2.gz SDNWAJDTXIFMRM-UHFFFAOYSA-N -1 3 371.643 3.775 50 30 FHEAHM Cn1c(C(C#N)=C([O-])c2ccc([N+](=O)[O-])c(Cl)c2)nc2ccccc21 ZINC000097162340 209172087 /nfs/dbraw/zinc/17/20/87/209172087.db2.gz SZWLTIVDLUEAMB-LLVKDONJSA-N -1 3 354.753 3.625 50 30 FHEAHM COc1c([O-])cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000006180399 207132598 /nfs/dbraw/zinc/13/25/98/207132598.db2.gz JCSKRUGFWVRBOU-LZYBPNLTSA-N -1 3 366.171 3.518 50 30 FHEAHM CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1ccc(OC)cc1)O2 ZINC000036065989 208144482 /nfs/dbraw/zinc/14/44/82/208144482.db2.gz HJASBTALPVQHNR-XDHOZWIPSA-N -1 3 353.418 3.859 50 30 FHEAHM COc1c2c(cc3c1[C@H](CC(=N[O-])c1ccc(C)cc1)N(C)CC3)OCO2 ZINC000252679462 521888127 /nfs/dbraw/zinc/88/81/27/521888127.db2.gz MVDDOMAAIMLAQN-KRWDZBQOSA-N -1 3 368.433 3.530 50 30 FHEAHM Cc1ccc(/N=C/c2cccc([O-])c2O)cc1I ZINC000000647454 570443836 /nfs/dbraw/zinc/44/38/36/570443836.db2.gz IKWDAGDLWHNZGQ-LZYBPNLTSA-N -1 3 353.159 3.761 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000000678002 570447687 /nfs/dbraw/zinc/44/76/87/570447687.db2.gz VHCBIARSNIAYEU-MRXNPFEDSA-N -1 3 372.218 3.938 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000000678002 570447690 /nfs/dbraw/zinc/44/76/90/570447690.db2.gz VHCBIARSNIAYEU-MRXNPFEDSA-N -1 3 372.218 3.938 50 30 FHEAHM N#Cc1c([N-]C(=S)NC(=O)C=Cc2ccccc2)sc2c1CCC2 ZINC000014041127 570511441 /nfs/dbraw/zinc/51/14/41/570511441.db2.gz ZGQIXYJGMXLCBH-MDZDMXLPSA-N -1 3 353.472 3.635 50 30 FHEAHM COc1ccccc1N1CCN(/N=C\c2c([O-])ccc3ccccc32)CC1 ZINC000004482743 570592052 /nfs/dbraw/zinc/59/20/52/570592052.db2.gz ROCGVCRBDSXIBN-KQWNVCNZSA-N -1 3 361.445 3.710 50 30 FHEAHM C=CCc1cccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1[O-] ZINC000245241431 570610942 /nfs/dbraw/zinc/61/09/42/570610942.db2.gz DLSLPFJDNWPCJO-UHFFFAOYSA-N -1 3 350.447 3.859 50 30 FHEAHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3)sc2C1 ZINC000000985766 571141467 /nfs/dbraw/zinc/14/14/67/571141467.db2.gz AGBUVBDNPMTXRT-NSHDSACASA-N -1 3 355.488 3.871 50 30 FHEAHM CCCCCCCCCCS(=O)(=O)[N-]/N=C/c1cc(OC)ccc1O ZINC000098002606 571217547 /nfs/dbraw/zinc/21/75/47/571217547.db2.gz ZXNWHOJJOXGNTG-XDJHFCHBSA-N -1 3 370.515 3.795 50 30 FHEAHM C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3ccc(F)cc3[O-])cc2)C[C@H]1C ZINC000426443491 571225918 /nfs/dbraw/zinc/22/59/18/571225918.db2.gz 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O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC/N=C/c1ccccc1[O-] ZINC000004455880 207020234 /nfs/dbraw/zinc/02/02/34/207020234.db2.gz CPKPSQWAHFUTTO-KEBDBYFISA-N -1 3 353.300 3.850 50 30 FHEAHM O=C1[N-]/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000004938060 207063622 /nfs/dbraw/zinc/06/36/22/207063622.db2.gz JZVJZNZVGCIPCX-MEBUONCMSA-N -1 3 368.245 3.751 50 30 FHEAHM Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccccc2)NC2CCCC2)n1 ZINC000005175869 207086517 /nfs/dbraw/zinc/08/65/17/207086517.db2.gz GRNMYURASJMHRO-UHFFFAOYSA-N -1 3 352.442 3.626 50 30 FHEAHM CSCC[C@H](NC1=NC(C)(C)Cc2c3ccccc3ccc21)C(=O)[O-] ZINC000006241318 207134557 /nfs/dbraw/zinc/13/45/57/207134557.db2.gz UEDSXOZPVBHISN-KRWDZBQOSA-N -1 3 356.491 3.717 50 30 FHEAHM Cn1c2ccccc2[nH]c1=NN=Cc1cc(C(C)(C)C)cc(C=O)c1[O-] ZINC000030955038 208007667 /nfs/dbraw/zinc/00/76/67/208007667.db2.gz ZYXJYVIZMJDTPH-SRZZPIQSSA-N -1 3 350.422 3.835 50 30 FHEAHM Cn1c2ccccc2nc1NN=Cc1cc(C(C)(C)C)cc(C=O)c1[O-] ZINC000030955038 208007672 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O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cccc([O-])c1 ZINC000096792720 527654417 /nfs/dbraw/zinc/65/44/17/527654417.db2.gz AFWISWUPOADYGK-HJWRWDBZSA-N -1 3 360.413 3.673 50 30 FHEAHM O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1cc(Cl)ccc1[O-] ZINC000000726816 570453659 /nfs/dbraw/zinc/45/36/59/570453659.db2.gz APJCLRLPDWEXES-SRZZPIQSSA-N -1 3 365.776 3.898 50 30 FHEAHM C=CCOc1c(Br)c(Br)c(/C=N/[O-])cc1OC ZINC000013915456 570796372 /nfs/dbraw/zinc/79/63/72/570796372.db2.gz MALQXILSRXSHBP-MKMNVTDBSA-N -1 3 365.021 3.593 50 30 FHEAHM N#CC(C(=O)Nc1cccc(Cl)c1Cl)=C([O-])C=Cc1nccs1 ZINC000104095898 570856832 /nfs/dbraw/zinc/85/68/32/570856832.db2.gz QFLBIJAMDAKFMA-XRVBUDJMSA-N -1 3 366.229 3.811 50 30 FHEAHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1nnc(-c2ccccc2)n1C ZINC000066867503 571028386 /nfs/dbraw/zinc/02/83/86/571028386.db2.gz VVDRCKIGJUQCPC-MRXNPFEDSA-N -1 3 355.401 3.762 50 30 FHEAHM Cc1ccc(-c2nc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n[n-]2)s1 ZINC000058228368 571129923 /nfs/dbraw/zinc/12/99/23/571129923.db2.gz GHPFVNSLLPQZRO-ZDUSSCGKSA-N -1 3 353.407 3.947 50 30 FHEAHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCCC1)C1CCCC1 ZINC000063442714 571170251 /nfs/dbraw/zinc/17/02/51/571170251.db2.gz ZJIJFVSTHHFPRK-UHFFFAOYSA-N -1 3 355.482 3.510 50 30 FHEAHM N#Cc1c([N-]C(=S)NC(=O)C=Cc2ccc(F)cc2)sc2c1CCC2 ZINC000033336000 571235887 /nfs/dbraw/zinc/23/58/87/571235887.db2.gz PSTRRIHEBZOKPK-TWGQIWQCSA-N -1 3 371.462 3.774 50 30 FHEAHM Cc1ccc(N=Cc2cccc([O-])c2O)cc1I ZINC000252460825 571279029 /nfs/dbraw/zinc/27/90/29/571279029.db2.gz IKWDAGDLWHNZGQ-UHFFFAOYSA-N -1 3 353.159 3.761 50 30 FHEAHM O=c1c2ccccc2nc(-c2ccco2)n1N=Cc1cc(Cl)ccc1[O-] ZINC000252590136 571283756 /nfs/dbraw/zinc/28/37/56/571283756.db2.gz APJCLRLPDWEXES-UHFFFAOYSA-N -1 3 365.776 3.898 50 30 FHEAHM CN(C)c1nc(Cl)c(-c2cc(-c3ccc([O-])cc3)nc(N)c2C#N)s1 ZINC000067674868 571321873 /nfs/dbraw/zinc/32/18/73/571321873.db2.gz MEYWNVDPNUXISC-UHFFFAOYSA-N -1 3 371.853 3.751 50 30 FHEAHM Cc1c(C#N)c([N-]C(=O)c2cccnc2Cl)sc1C(=O)OC(C)C ZINC000002745317 571340690 /nfs/dbraw/zinc/34/06/90/571340690.db2.gz DVPFVSMCPWXFKE-UHFFFAOYSA-N -1 3 363.826 3.794 50 30 FHEAHM CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c([O-])c1 ZINC000004045768 571354464 /nfs/dbraw/zinc/35/44/64/571354464.db2.gz ASYAEDJERVGEER-WSDLNYQXSA-N -1 3 368.506 3.910 50 30 FHEAHM N#Cc1c([N-]C(=S)NC(=O)C=Cc2ccco2)sc2c1CCCC2 ZINC000000711411 210263898 /nfs/dbraw/zinc/26/38/98/210263898.db2.gz SQEORZWQOMUTJT-BQYQJAHWSA-N -1 3 357.460 3.618 50 30 FHEAHM COc1cccc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC3)C2=O)c1 ZINC000009530637 210231203 /nfs/dbraw/zinc/23/12/03/210231203.db2.gz MEDDYUWKQFVNNZ-UNOMPAQXSA-N -1 3 351.402 3.613 50 30 FHEAHM Cn1c(C(C#N)=C([O-])c2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 ZINC000002531025 210404132 /nfs/dbraw/zinc/40/41/32/210404132.db2.gz YUUXBOGKYUNAHL-GFCCVEGCSA-N -1 3 354.753 3.625 50 30 FHEAHM O=C1[N-]/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000002284421 210388442 /nfs/dbraw/zinc/38/84/42/210388442.db2.gz VWKCWEATUZDERD-LLVKDONJSA-N -1 3 352.246 3.850 50 30 FHEAHM COc1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)ccc1[O-] ZINC000067787647 221285825 /nfs/dbraw/zinc/28/58/25/221285825.db2.gz JJLYYZWJAVERNL-CQSZACIVSA-N -1 3 367.449 3.898 50 30 FHEAHM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000100439925 222244226 /nfs/dbraw/zinc/24/42/26/222244226.db2.gz YAUAALOIVRUZST-WOOAAIBNSA-N -1 3 374.371 3.847 50 30 FHEAHM CCOC([O-])=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102437601 570832146 /nfs/dbraw/zinc/83/21/46/570832146.db2.gz ZDXMNKRPGNDGCI-IMGOXIFKSA-N -1 3 355.365 3.597 50 30 FHEAHM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102437601 570832147 /nfs/dbraw/zinc/83/21/47/570832147.db2.gz ZDXMNKRPGNDGCI-IMGOXIFKSA-N -1 3 355.365 3.597 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1 ZINC000008566192 571050501 /nfs/dbraw/zinc/05/05/01/571050501.db2.gz AYWWAQZGYZKPDN-MRXNPFEDSA-N -1 3 368.389 3.924 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1 ZINC000008566192 571050503 /nfs/dbraw/zinc/05/05/03/571050503.db2.gz AYWWAQZGYZKPDN-MRXNPFEDSA-N -1 3 368.389 3.924 50 30 FHEAHM O=C1C[C@H](c2ccco2)CC2=Nc3nonc3[N-][C@@H](c3ccccc3F)C12 ZINC000012389095 571080177 /nfs/dbraw/zinc/08/01/77/571080177.db2.gz TVHQTECTFYYQIP-QGHHPUGFSA-N -1 3 366.352 3.781 50 30 FHEAHM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)no1 ZINC000005800509 571113515 /nfs/dbraw/zinc/11/35/15/571113515.db2.gz PSAWGMSCKIJFMD-GOSISDBHSA-N -1 3 360.369 3.766 50 30 FHEAHM [O-]c1ccc(Br)cc1C=Nc1ccc(N2CCOCC2)cc1 ZINC000252621399 571288263 /nfs/dbraw/zinc/28/82/63/571288263.db2.gz MXPOXALFLVGKJF-UHFFFAOYSA-N -1 3 361.239 3.742 50 30 FHEAHM CCN(CC)c1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1 ZINC000018195526 211193910 /nfs/dbraw/zinc/19/39/10/211193910.db2.gz HOLKFDVAPUELIM-MRXNPFEDSA-N -1 3 352.438 3.526 50 30 FHEAHM CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000017075369 211179355 /nfs/dbraw/zinc/17/93/55/211179355.db2.gz JUBUOQQDZGAZED-ODLFYWEKSA-N -1 3 366.870 3.656 50 30 FHEAHM CCOC(=O)c1sc(/N=C/c2ccccc2[O-])c(C(=O)OCC)c1C ZINC000002346755 210393273 /nfs/dbraw/zinc/39/32/73/210393273.db2.gz OGFVMTCALLOKMK-VXLYETTFSA-N -1 3 361.419 3.866 50 30 FHEAHM N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1ccncc1)CCCCCC2 ZINC000002316350 210390364 /nfs/dbraw/zinc/39/03/64/210390364.db2.gz DBOVMGDEQOERPR-UHFFFAOYSA-N -1 3 370.503 3.801 50 30 FHEAHM O=C1[N-]/C(=N\c2ccccn2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000002284423 210388167 /nfs/dbraw/zinc/38/81/67/210388167.db2.gz VWKCWEATUZDERD-NSHDSACASA-N -1 3 352.246 3.850 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1 ZINC000000846450 210280625 /nfs/dbraw/zinc/28/06/25/210280625.db2.gz ZVPAYKYHGPUOQV-INIZCTEOSA-N -1 3 350.399 3.785 50 30 FHEAHM CCCCCCCOC(=O)C(C#N)[C@@H](c1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000102758773 222307682 /nfs/dbraw/zinc/30/76/82/222307682.db2.gz YQUYDXZBSKSRRB-QYZOEREBSA-N -1 3 369.465 3.545 50 30 FHEAHM CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000017075366 522042273 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FHEAHM C=CCOc1cccc(-c2nc([O-])c3c4ccccc4c(=O)n(CC)n23)c1 ZINC000014125194 571120896 /nfs/dbraw/zinc/12/08/96/571120896.db2.gz FTGVBWSFHSXAON-UHFFFAOYSA-N -1 3 361.401 3.607 50 30 FHEAHM CCOC(=O)[C@H]1C(=O)N([O-])C[C@@H]1c1cccc(Oc2ccc(CC)cc2)c1 ZINC000003997641 571129784 /nfs/dbraw/zinc/12/97/84/571129784.db2.gz PCABVTNIDXAZMY-RTBURBONSA-N -1 3 369.417 3.536 50 30 FHEAHM CCCCCCCCc1c([O-])nc(SCC[NH+](CC)CC)[n-]c1=O ZINC000097951553 571153046 /nfs/dbraw/zinc/15/30/46/571153046.db2.gz ZRVCEPHXDVJJOQ-UHFFFAOYSA-N -1 3 355.548 3.812 50 30 FHEAHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053527792 571161213 /nfs/dbraw/zinc/16/12/13/571161213.db2.gz UGYZSHWBFLULGK-UHFFFAOYSA-N -1 3 363.299 3.596 50 30 FHEAHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053527792 571161214 /nfs/dbraw/zinc/16/12/14/571161214.db2.gz UGYZSHWBFLULGK-UHFFFAOYSA-N -1 3 363.299 3.596 50 30 FHEAHM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053527792 571161216 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369.417 3.536 50 30 FHEAHM CCCSc1nnc([N-][NH+]=C(C)c2ccc(Br)cc2)[n-]1 ZINC000253476493 571291666 /nfs/dbraw/zinc/29/16/66/571291666.db2.gz VQDXKRJXRNOIKC-UHFFFAOYSA-N -1 3 354.277 3.905 50 30 FHEAHM CCCSc1nnc(NN=C(C)c2ccc(Br)cc2)[n-]1 ZINC000253476493 571291664 /nfs/dbraw/zinc/29/16/64/571291664.db2.gz VQDXKRJXRNOIKC-UHFFFAOYSA-N -1 3 354.277 3.905 50 30 FHEAHM COc1cc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(N)c2C#N)ccc1[O-] ZINC000019926393 571308373 /nfs/dbraw/zinc/30/83/73/571308373.db2.gz XVGURDFKTBMYRK-UHFFFAOYSA-N -1 3 374.400 3.542 50 30 FHEAHM COc1ccccc1-c1nc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)n[n-]1 ZINC000055248179 571321475 /nfs/dbraw/zinc/32/14/75/571321475.db2.gz HYSDAHIFSBXQTL-MRXNPFEDSA-N -1 3 363.377 3.586 50 30 FHEAHM COc1ccccc1-c1nc(NC(=O)Cc2cc(F)c(F)cc2F)n[n-]1 ZINC000095474790 571330797 /nfs/dbraw/zinc/33/07/97/571330797.db2.gz IBACUBNSLIDGJG-UHFFFAOYSA-N -1 3 362.311 3.728 50 30 FHEAHM CCN(CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000020624349 210237389 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50 30 FHEAHM CCN(CC)c1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1 ZINC000018195528 211193191 /nfs/dbraw/zinc/19/31/91/211193191.db2.gz HOLKFDVAPUELIM-INIZCTEOSA-N -1 3 352.438 3.526 50 30 FHEAHM CCOC(=O)c1c(C)n[n-]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002275377 210388821 /nfs/dbraw/zinc/38/88/21/210388821.db2.gz UXYZBNZRCWCUCV-UHFFFAOYSA-N -1 3 372.187 3.820 50 30 FHEAHM CCOC(=O)c1c(C)[n-]nc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002275377 210388824 /nfs/dbraw/zinc/38/88/24/210388824.db2.gz UXYZBNZRCWCUCV-UHFFFAOYSA-N -1 3 372.187 3.820 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000000836106 210279534 /nfs/dbraw/zinc/27/95/34/210279534.db2.gz ZPDBCSBRGPFHKZ-INIZCTEOSA-N -1 3 372.218 3.938 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000000836106 210279536 /nfs/dbraw/zinc/27/95/36/210279536.db2.gz ZPDBCSBRGPFHKZ-INIZCTEOSA-N -1 3 372.218 3.938 50 30 FHEAHM COc1cc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)ccc1[O-] ZINC000067787648 221285698 /nfs/dbraw/zinc/28/56/98/221285698.db2.gz JJLYYZWJAVERNL-AWEZNQCLSA-N -1 3 367.449 3.898 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000102616143 222302008 /nfs/dbraw/zinc/30/20/08/222302008.db2.gz RARZYWLDHNMAHD-WOOAAIBNSA-N -1 3 374.371 3.847 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102800922 222309129 /nfs/dbraw/zinc/30/91/29/222309129.db2.gz YSFUZBLCESUGLH-LFVOPCPISA-N -1 3 356.381 3.708 50 30 FHEAHM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000102800922 222309134 /nfs/dbraw/zinc/30/91/34/222309134.db2.gz YSFUZBLCESUGLH-LFVOPCPISA-N -1 3 356.381 3.708 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000104126581 222350104 /nfs/dbraw/zinc/35/01/04/222350104.db2.gz NFQOZZXITLZMLG-WOOAAIBNSA-N -1 3 374.371 3.847 50 30 FHEAHM C=CCn1nnc([N-]C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 ZINC000010148887 263363678 /nfs/dbraw/zinc/36/36/78/263363678.db2.gz UKUNPBVCZOHWGO-UHFFFAOYSA-N -1 3 364.192 3.678 50 30 FHEAHM O=C(Cc1csc(-c2ccccc2)n1)Nc1n[n-]c([C@@H]2CCCO2)n1 ZINC000095480387 263428297 /nfs/dbraw/zinc/42/82/97/263428297.db2.gz PPIUROVJZHXENE-ZDUSSCGKSA-N -1 3 355.423 3.610 50 30 FHEAHM CCCSc1nnc(NN=C(C)c2ccc(Br)cc2)[n-]1 ZINC000007262852 520572485 /nfs/dbraw/zinc/57/24/85/520572485.db2.gz VQDXKRJXRNOIKC-SXGWCWSVSA-N -1 3 354.277 3.905 50 30 FHEAHM CCCSc1nnc([N-][NH+]=C(C)c2ccc(Br)cc2)[n-]1 ZINC000007262852 520572492 /nfs/dbraw/zinc/57/24/92/520572492.db2.gz VQDXKRJXRNOIKC-SXGWCWSVSA-N -1 3 354.277 3.905 50 30 FHEAHM CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccccc2)c([O-])c1 ZINC000239009526 520889229 /nfs/dbraw/zinc/88/92/29/520889229.db2.gz ATSJUPWBIADYLG-UHFFFAOYSA-N -1 3 367.478 3.668 50 30 FHEAHM COc1ccc(-c2nnc3sc([N-]C(=O)c4cccs4)nn32)cc1 ZINC000020486359 523269479 /nfs/dbraw/zinc/26/94/79/523269479.db2.gz XAKIWEPCCUJWNR-UHFFFAOYSA-N -1 3 357.420 3.559 50 30 FHEAHM Cc1ncc(CO)c(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1[O-] ZINC000005110584 570586141 /nfs/dbraw/zinc/58/61/41/570586141.db2.gz TXMSPWDBUQCARF-FOKLQQMPSA-N -1 3 358.401 3.882 50 30 FHEAHM O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1c([O-])ccc2ccccc21 ZINC000005518281 570629336 /nfs/dbraw/zinc/62/93/36/570629336.db2.gz MJMRGWGLYFAOTM-BOPFTXTBSA-N -1 3 360.325 3.798 50 30 FHEAHM Cc1ccc(/N=C2\SC(CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000005682445 570633390 /nfs/dbraw/zinc/63/33/90/570633390.db2.gz HMTMTHUUFQSRFI-DVSFIDLUSA-N -1 3 354.431 3.914 50 30 FHEAHM CC(=O)N1c2ccc(Br)cc2C(=O)/C1=C\c1ccccc1[O-] ZINC000004482645 570797055 /nfs/dbraw/zinc/79/70/55/570797055.db2.gz XACUKTZRXCFZGM-OVCLIPMQSA-N -1 3 358.191 3.745 50 30 FHEAHM COc1ccc(/N=C2\[N-]S(=O)(=O)C(c3ccccc3)=C2C)cc1Cl ZINC000009286806 571103505 /nfs/dbraw/zinc/10/35/05/571103505.db2.gz GERMIXIVNXWLJR-UHFFFAOYSA-N -1 3 362.838 3.743 50 30 FHEAHM CCOC(=O)[C@@H]1C(=O)N([O-])C[C@@H]1c1cccc(Oc2ccc(CC)cc2)c1 ZINC000003997644 571129774 /nfs/dbraw/zinc/12/97/74/571129774.db2.gz PCABVTNIDXAZMY-MOPGFXCFSA-N -1 3 369.417 3.536 50 30 FHEAHM C=CCSc1nnc([N-]C(=O)c2oc3ccccc3c2COC)s1 ZINC000007594270 571279153 /nfs/dbraw/zinc/27/91/53/571279153.db2.gz IVBLLCPLEQJTEB-UHFFFAOYSA-N -1 3 361.448 3.961 50 30 FHEAHM Cc1nc2sc3c(c2c(=O)n1N=Cc1cc(Cl)ccc1[O-])CCCC3 ZINC000252593469 571284340 /nfs/dbraw/zinc/28/43/40/571284340.db2.gz BKCDFBNUTJQRTJ-UHFFFAOYSA-N -1 3 373.865 3.886 50 30 FHEAHM COc1ccccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2 ZINC000008495932 571320731 /nfs/dbraw/zinc/32/07/31/571320731.db2.gz IXIYHKDVLQAHIL-UHFFFAOYSA-N -1 3 371.487 3.634 50 30 FHEAHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1 ZINC000096298494 571335184 /nfs/dbraw/zinc/33/51/84/571335184.db2.gz XFLHQZUCDQDUNH-KTKRTIGZSA-N -1 3 353.802 3.747 50 30 FHEAHM Cc1cc([O-])c(CN2CCC(C)CC2)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020589848 210236731 /nfs/dbraw/zinc/23/67/31/210236731.db2.gz ORDXGXKFAFMEQL-ODLFYWEKSA-N -1 3 364.445 3.944 50 30 FHEAHM C=CCN1C(=O)[C@]([N-]c2cccc(C)n2)(C(F)(F)F)N=C1c1ccccc1 ZINC000012408220 210139765 /nfs/dbraw/zinc/13/97/65/210139765.db2.gz KCRZXYOWUDTBKM-GOSISDBHSA-N -1 3 374.366 3.536 50 30 FHEAHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Oc2cccnc2)cc1 ZINC000058308009 212003659 /nfs/dbraw/zinc/00/36/59/212003659.db2.gz UJZHADFDQVCGQU-UHFFFAOYSA-N -1 3 358.361 3.690 50 30 FHEAHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Oc2cccnc2)cc1 ZINC000058308009 212003661 /nfs/dbraw/zinc/00/36/61/212003661.db2.gz UJZHADFDQVCGQU-UHFFFAOYSA-N -1 3 358.361 3.690 50 30 FHEAHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(Oc2cccnc2)cc1 ZINC000058308009 212003664 /nfs/dbraw/zinc/00/36/64/212003664.db2.gz UJZHADFDQVCGQU-UHFFFAOYSA-N -1 3 358.361 3.690 50 30 FHEAHM CCCN1C(=O)[N-]C(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002401017 210396716 /nfs/dbraw/zinc/39/67/16/210396716.db2.gz RFZKTDGDIUKZJO-UHFFFAOYSA-N -1 3 372.309 3.928 50 30 FHEAHM O=S(=O)(/N=C/c1cc(Br)ccc1[O-])c1ccc(Cl)cc1 ZINC000000949462 210294341 /nfs/dbraw/zinc/29/43/41/210294341.db2.gz ZFAOUQCOCKTEEP-LZYBPNLTSA-N -1 3 374.643 3.616 50 30 FHEAHM CC(=O)SCC([O-])=C(C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000009452483 210283044 /nfs/dbraw/zinc/28/30/44/210283044.db2.gz LPXVNYXQAJDRIQ-VIFPVBQESA-N -1 3 358.366 3.771 50 30 FHEAHM O=C1c2ccccc2N[C@H](c2ccccc2O)N1/N=C/c1ccccc1[O-] ZINC000000849522 210280109 /nfs/dbraw/zinc/28/01/09/210280109.db2.gz AGTQNRSMKCRTKH-BOURKTIISA-N -1 3 359.385 3.698 50 30 FHEAHM C#CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCc2ccccc21 ZINC000052845825 221041042 /nfs/dbraw/zinc/04/10/42/221041042.db2.gz ACNUNXDGGOLADL-SFHVURJKSA-N -1 3 369.424 3.792 50 30 FHEAHM COc1cc(-c2cc(-c3cccc(NC(C)=O)c3)nc(N)c2C#N)ccc1[O-] ZINC000071764258 221371793 /nfs/dbraw/zinc/37/17/93/221371793.db2.gz SWBOOUSRXFDUTC-UHFFFAOYSA-N -1 3 374.400 3.542 50 30 FHEAHM O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000100439932 222244085 /nfs/dbraw/zinc/24/40/85/222244085.db2.gz YAUAALOIVRUZST-LFVOPCPISA-N -1 3 374.371 3.847 50 30 FHEAHM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)no1 ZINC000102805521 222308753 /nfs/dbraw/zinc/30/87/53/222308753.db2.gz JGZUCISDUCPYFX-SELCWUDQSA-N -1 3 360.369 3.609 50 30 FHEAHM CCCCCCCCCCCCn1c2c([nH]c1=S)n(C)c(=O)[n-]c2=O ZINC000008435523 520014800 /nfs/dbraw/zinc/01/48/00/520014800.db2.gz MQEGJXUSFPYOTG-UHFFFAOYSA-N -1 3 366.531 3.633 50 30 FHEAHM N#Cc1cc(N=NCc2c([O-])ccc3ccccc32)c([N+](=O)[O-])cc1C#N ZINC000005777236 568493415 /nfs/dbraw/zinc/49/34/15/568493415.db2.gz MDYPMCKRZMSPNW-SSDVNMTOSA-N -1 3 357.329 3.643 50 30 FHEAHM COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000004870670 570553442 /nfs/dbraw/zinc/55/34/42/570553442.db2.gz VCJXFIOWKVEYNF-IBGZPJMESA-N -1 3 367.401 3.501 50 30 FHEAHM C=CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccccc3)on2)nc1C ZINC000011917133 570601867 /nfs/dbraw/zinc/60/18/67/570601867.db2.gz DHWNCTLRCIQAGL-UHFFFAOYSA-N -1 3 369.402 3.702 50 30 FHEAHM Cc1cccc(/N=C2\SC(CC(=O)[O-])C(=O)N2c2cccc(C)c2)c1 ZINC000005710763 570633505 /nfs/dbraw/zinc/63/35/05/570633505.db2.gz OQOAASGKEJNYLX-JVMRMLDLSA-N -1 3 354.431 3.914 50 30 FHEAHM O=[N+]([O-])c1ccc(COc2ccc(/C=N/[O-])cc2Br)cc1 ZINC000006926353 570657228 /nfs/dbraw/zinc/65/72/28/570657228.db2.gz GEHVDAZBPXNQDZ-LZYBPNLTSA-N -1 3 351.156 3.744 50 30 FHEAHM CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc([O-])cc1 ZINC000229937292 570759953 /nfs/dbraw/zinc/75/99/53/570759953.db2.gz JJEBKVFRHNKOBW-PIZFTLQDSA-N -1 3 374.477 3.838 50 30 FHEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 ZINC000102577823 570833778 /nfs/dbraw/zinc/83/37/78/570833778.db2.gz YEPHVBYZWSGFCC-SFHVURJKSA-N -1 3 357.413 3.730 50 30 FHEAHM O=C(CCc1nc2ccccc2s1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343402 570886473 /nfs/dbraw/zinc/88/64/73/570886473.db2.gz XWMQLNIWWUDABG-UHFFFAOYSA-N -1 3 350.407 3.697 50 30 FHEAHM O=C(CCc1nc2ccccc2s1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343402 570886475 /nfs/dbraw/zinc/88/64/75/570886475.db2.gz XWMQLNIWWUDABG-UHFFFAOYSA-N -1 3 350.407 3.697 50 30 FHEAHM O=C(CCc1nc2ccccc2s1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343402 570886476 /nfs/dbraw/zinc/88/64/76/570886476.db2.gz XWMQLNIWWUDABG-UHFFFAOYSA-N -1 3 350.407 3.697 50 30 FHEAHM N#Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000049771098 570966002 /nfs/dbraw/zinc/96/60/02/570966002.db2.gz RMVRYDICNVBEMN-UHFFFAOYSA-N -1 3 369.852 3.768 50 30 FHEAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1cccc(C#N)c1 ZINC000008735004 571058742 /nfs/dbraw/zinc/05/87/42/571058742.db2.gz ZIXLYRKLXKAYOV-JTQLQIEISA-N -1 3 355.448 3.524 50 30 FHEAHM CSc1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1 ZINC000004810466 571237284 /nfs/dbraw/zinc/23/72/84/571237284.db2.gz QEWSASOPRUUNOC-UHFFFAOYSA-N -1 3 364.883 3.916 50 30 FHEAHM CCOC(=O)[C@]([O-])(c1ccc(N=Cc2ccccc2)cc1)C(F)(F)F ZINC000252588615 571283805 /nfs/dbraw/zinc/28/38/05/571283805.db2.gz ACYIYPOXWYESNT-QGZVFWFLSA-N -1 3 351.324 3.750 50 30 FHEAHM COc1cncnc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000328595311 571323698 /nfs/dbraw/zinc/32/36/98/571323698.db2.gz QVTZMEIHMWHSCB-UHFFFAOYSA-N -1 3 362.748 3.877 50 30 FHEAHM Cc1ccccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2 ZINC000000696059 210262118 /nfs/dbraw/zinc/26/21/18/210262118.db2.gz AKMKGSBWOLMTFY-UHFFFAOYSA-N -1 3 355.488 3.934 50 30 aggregator FHEAHM COc1cc(/C=C2/COc3ccccc3C2=O)cc(Br)c1[O-] ZINC000033447517 210246251 /nfs/dbraw/zinc/24/62/51/210246251.db2.gz FEEGKOFKDDCBBB-WDZFZDKYSA-N -1 3 361.191 3.822 50 30 FHEAHM COc1cccc(/C=C2\Oc3c(c(C)cc([O-])c3CN3CCCC3)C2=O)c1 ZINC000020589732 210236922 /nfs/dbraw/zinc/23/69/22/210236922.db2.gz LNHLYLGXBHGTBQ-UNOMPAQXSA-N -1 3 365.429 3.921 50 30 FHEAHM C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000005690184 210105049 /nfs/dbraw/zinc/10/50/49/210105049.db2.gz SPOHOLGIFJAILQ-INIZCTEOSA-N -1 3 359.451 3.509 50 30 FHEAHM C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020504064 211283836 /nfs/dbraw/zinc/28/38/36/211283836.db2.gz YEKOVBDKFFIYOR-YQNUULROSA-N -1 3 350.418 3.778 50 30 FHEAHM O=C1[N-]/C(=N/c2ccc(Br)cc2)S[C@H]1Cc1ccccc1 ZINC000017178696 211181414 /nfs/dbraw/zinc/18/14/14/211181414.db2.gz OHBYJNKFBMTCIY-AWEZNQCLSA-N -1 3 361.264 3.911 50 30 FHEAHM O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000013477823 211036434 /nfs/dbraw/zinc/03/64/34/211036434.db2.gz DPQWYLXGIKBTOQ-CQSZACIVSA-N -1 3 361.810 3.710 50 30 FHEAHM CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O ZINC000002014578 210376798 /nfs/dbraw/zinc/37/67/98/210376798.db2.gz BATBOVZTQBLKIL-QGZVFWFLSA-N -1 3 370.401 3.638 50 30 biogenic,in-vitro FHEAHM CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O ZINC000002014578 210376802 /nfs/dbraw/zinc/37/68/02/210376802.db2.gz BATBOVZTQBLKIL-QGZVFWFLSA-N -1 3 370.401 3.638 50 30 biogenic,in-vitro FHEAHM CC(=O)C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1F ZINC000000849083 210281204 /nfs/dbraw/zinc/28/12/04/210281204.db2.gz FIDNKRFYVNCMDJ-INIZCTEOSA-N -1 3 368.389 3.924 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1F ZINC000000849083 210281208 /nfs/dbraw/zinc/28/12/08/210281208.db2.gz FIDNKRFYVNCMDJ-INIZCTEOSA-N -1 3 368.389 3.924 50 30 FHEAHM COc1cc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)cc(OC)c1[O-] ZINC000067726586 221277552 /nfs/dbraw/zinc/27/75/52/221277552.db2.gz VPIABZVGOZTUSG-UHFFFAOYSA-N -1 3 361.401 3.901 50 30 FHEAHM CCN(CC)c1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)c([O-])c1 ZINC000000671788 263141149 /nfs/dbraw/zinc/14/11/49/263141149.db2.gz YFKJWWZHAJLYHA-DEDYPNTBSA-N -1 3 356.495 3.867 50 30 FHEAHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000102104147 570826925 /nfs/dbraw/zinc/82/69/25/570826925.db2.gz OXDKWQBCSKCRNG-INIZCTEOSA-N -1 3 373.437 3.870 50 30 FHEAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(C#N)cc1 ZINC000008757202 571060363 /nfs/dbraw/zinc/06/03/63/571060363.db2.gz ANCRATXTGPRLSO-JTQLQIEISA-N -1 3 355.448 3.524 50 30 FHEAHM Cc1ccc(-c2csc3c2c(=O)[nH]c2c(-c4ccccc4)c([O-])cn23)o1 ZINC000006589173 571210870 /nfs/dbraw/zinc/21/08/70/571210870.db2.gz BZNCBKBCFRAOAQ-UHFFFAOYSA-N -1 3 362.410 3.818 50 30 FHEAHM COC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccccc2[O-])C1=O ZINC000036257189 571246209 /nfs/dbraw/zinc/24/62/09/571246209.db2.gz MIZWETQQZJEXAQ-XNTDXEJSSA-N -1 3 371.389 3.685 50 30 FHEAHM COc1ccc(C=Nc2ccccc2-c2n[n-]c(=S)[nH]c2=O)cc1OC ZINC000003189764 571279902 /nfs/dbraw/zinc/27/99/02/571279902.db2.gz YKLNXOOVLLGTTO-VXLYETTFSA-N -1 3 368.418 3.675 50 30 FHEAHM COC(=O)c1c(N=Cc2cc(Cl)ccc2[O-])sc2c1CCN(C)C2 ZINC000252600520 571284571 /nfs/dbraw/zinc/28/45/71/571284571.db2.gz DSCCMMKJKLMOFB-UHFFFAOYSA-N -1 3 364.854 3.632 50 30 FHEAHM Cc1sc([N-]C(=S)NC(=O)COc2cccc(C)c2C)c(C#N)c1C ZINC000002840755 571341360 /nfs/dbraw/zinc/34/13/60/571341360.db2.gz QKKSZUVCGQBSLJ-UHFFFAOYSA-N -1 3 373.503 3.745 50 30 FHEAHM COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(Cl)c1[O-] ZINC000013549743 220074007 /nfs/dbraw/zinc/07/40/07/220074007.db2.gz KYHLHALXRRGNDS-ZROIWOOFSA-N -1 3 360.822 3.946 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@H](c2ccc(O)cc2)C1=C([O-])c1ccccc1 ZINC000018063095 220221156 /nfs/dbraw/zinc/22/11/56/220221156.db2.gz LEAQTHKJEHODOF-LJQANCHMSA-N -1 3 372.380 3.570 50 30 FHEAHM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000102874313 222312206 /nfs/dbraw/zinc/31/22/06/222312206.db2.gz QNKQKNXWQCIHQG-WOOAAIBNSA-N -1 3 374.371 3.847 50 30 FHEAHM O=c1[n-][nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018195479 263373427 /nfs/dbraw/zinc/37/34/27/263373427.db2.gz UZPSOJTUMLRZET-GFCCVEGCSA-N -1 3 350.205 3.987 50 30 FHEAHM COc1ccc(OC)c(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000044835638 263404385 /nfs/dbraw/zinc/40/43/85/263404385.db2.gz IZJMJWQQAQKPSO-GIJQJNRQSA-N -1 3 350.212 3.791 50 30 FHEAHM CC(C)Cc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000017075375 519441382 /nfs/dbraw/zinc/44/13/82/519441382.db2.gz GDYWXNSDXGSJCV-ODLFYWEKSA-N -1 3 366.870 3.557 50 30 FHEAHM [O-]c1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(F)cc1 ZINC000002506395 570522649 /nfs/dbraw/zinc/52/26/49/570522649.db2.gz OJTNDCHKRLQIFY-CAOOACKPSA-N -1 3 368.231 3.614 50 30 FHEAHM Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1-c1cccc(Cl)c1Cl ZINC000005012143 570574957 /nfs/dbraw/zinc/57/49/57/570574957.db2.gz XCPSTYGLLGADCL-UHFFFAOYSA-N -1 3 359.216 3.586 50 30 FHEAHM Cc1sc([N-]C(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C#N)c1C ZINC000004554542 570833750 /nfs/dbraw/zinc/83/37/50/570833750.db2.gz WGWCYWQQZATWPZ-UHFFFAOYSA-N -1 3 374.447 3.580 50 30 FHEAHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1nnc(-c2ccccc2)n1C ZINC000066867504 571028370 /nfs/dbraw/zinc/02/83/70/571028370.db2.gz VVDRCKIGJUQCPC-INIZCTEOSA-N -1 3 355.401 3.762 50 30 FHEAHM CCOc1ccccc1[C@@H]1c2ccc([O-])cc2Oc2nc(N)c(C#N)c(N)c21 ZINC000085409078 571112949 /nfs/dbraw/zinc/11/29/49/571112949.db2.gz RUPFXMQVLFANBB-QGZVFWFLSA-N -1 3 374.400 3.508 50 30 FHEAHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1 ZINC000075106941 571155349 /nfs/dbraw/zinc/15/53/49/571155349.db2.gz NDOZKZFHVICCIH-UHFFFAOYSA-N -1 3 352.419 3.503 50 30 FHEAHM COc1ccc(S[C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053528374 571161235 /nfs/dbraw/zinc/16/12/35/571161235.db2.gz UEGJSZNHZBCEKT-NSHDSACASA-N -1 3 355.423 3.644 50 30 FHEAHM COc1ccc(S[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053528374 571161236 /nfs/dbraw/zinc/16/12/36/571161236.db2.gz UEGJSZNHZBCEKT-NSHDSACASA-N -1 3 355.423 3.644 50 30 FHEAHM COc1ccc(S[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053528374 571161239 /nfs/dbraw/zinc/16/12/39/571161239.db2.gz UEGJSZNHZBCEKT-NSHDSACASA-N -1 3 355.423 3.644 50 30 FHEAHM C[C@H]1CCc2sc([N-]C(=S)NC(=O)c3ccccc3)c(C#N)c2C1 ZINC000003902168 571171994 /nfs/dbraw/zinc/17/19/94/571171994.db2.gz ZIDKAOZWFJKVMK-NSHDSACASA-N -1 3 355.488 3.871 50 30 FHEAHM C[C@@H](OC(=O)c1c([O-])coc1Nc1ccccc1)c1ccccc1Cl ZINC000006654287 571239549 /nfs/dbraw/zinc/23/95/49/571239549.db2.gz JTSLYNWADJSWQC-GFCCVEGCSA-N -1 3 357.793 3.867 50 30 FHEAHM C=CCOc1c(Br)c(Br)c(C=N[O-])cc1OC ZINC000252620263 571287548 /nfs/dbraw/zinc/28/75/48/571287548.db2.gz MALQXILSRXSHBP-UHFFFAOYSA-N -1 3 365.021 3.593 50 30 FHEAHM O=C1[N-]/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000028294283 571338943 /nfs/dbraw/zinc/33/89/43/571338943.db2.gz JBERCQKCXNTOOZ-AWEZNQCLSA-N -1 3 361.810 3.710 50 30 FHEAHM N#Cc1c([N-]C(=O)c2cc(-c3ccc(O)cc3)on2)sc2c1CCC2 ZINC000003907806 571353097 /nfs/dbraw/zinc/35/30/97/571353097.db2.gz OOZLOPXCDZODTJ-UHFFFAOYSA-N -1 3 351.387 3.721 50 30 FHEAHM O=C1c2ccccc2N[C@@H](c2ccccc2O)N1/N=C/c1ccccc1[O-] ZINC000000849523 219330951 /nfs/dbraw/zinc/33/09/51/219330951.db2.gz AGTQNRSMKCRTKH-CCULFSDZSA-N -1 3 359.385 3.698 50 30 FHEAHM Cn1ncc(/N=C/c2ccccc2[O-])c1C(=O)Nc1cccc(Cl)c1 ZINC000000825416 219327165 /nfs/dbraw/zinc/32/71/65/219327165.db2.gz MUASWDZOHCWOKE-KEBDBYFISA-N -1 3 354.797 3.782 50 30 FHEAHM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)C1=C([O-])c1cccs1 ZINC000000974344 219348946 /nfs/dbraw/zinc/34/89/46/219348946.db2.gz IPFSJOZBWTZJFN-KRWDZBQOSA-N -1 3 362.410 3.926 50 30 FHEAHM O=S(=O)(N/N=C/c1c([O-])ccc2ccccc21)c1ccc(Cl)cc1 ZINC000001212526 219389898 /nfs/dbraw/zinc/38/98/98/219389898.db2.gz BTAQNEHVSJWVFI-YBFXNURJSA-N -1 3 360.822 3.511 50 30 FHEAHM CC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000001306637 219393442 /nfs/dbraw/zinc/39/34/42/219393442.db2.gz GHRPBQARUDVBKS-MRXNPFEDSA-N -1 3 372.218 3.938 50 30 FHEAHM CC([O-])=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000001306637 219393445 /nfs/dbraw/zinc/39/34/45/219393445.db2.gz GHRPBQARUDVBKS-MRXNPFEDSA-N -1 3 372.218 3.938 50 30 FHEAHM COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Cl)c1[O-] ZINC000015011736 220141650 /nfs/dbraw/zinc/14/16/50/220141650.db2.gz KYHLHALXRRGNDS-NTEUORMPSA-N -1 3 360.822 3.946 50 30 FHEAHM O=S(=O)(N/N=C\c1c([O-])ccc2ccccc21)c1ccc(Cl)cc1 ZINC000015938751 220172014 /nfs/dbraw/zinc/17/20/14/220172014.db2.gz BTAQNEHVSJWVFI-ODLFYWEKSA-N -1 3 360.822 3.511 50 30 FHEAHM O=C1[N-]/C(=N\c2ccccc2)S[C@@H]1Cc1ccc(Br)cc1 ZINC000017178117 220208684 /nfs/dbraw/zinc/20/86/84/220208684.db2.gz VZJMHUKHRBRCNH-CQSZACIVSA-N -1 3 361.264 3.911 50 30 FHEAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1ccnc2ccccc21 ZINC000018200763 220228404 /nfs/dbraw/zinc/22/84/04/220228404.db2.gz HFGURFLSVGKEPR-MRXNPFEDSA-N -1 3 360.417 3.864 50 30 FHEAHM COc1cc(-c2cc(-c3cc(C(C)(C)C)[nH]n3)c(C#N)c(N)n2)ccc1[O-] ZINC000067692796 221272385 /nfs/dbraw/zinc/27/23/85/221272385.db2.gz GOWNRUNIFYTHCM-UHFFFAOYSA-N -1 3 363.421 3.604 50 30 FHEAHM COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1[O-] ZINC000097964068 222217867 /nfs/dbraw/zinc/21/78/67/222217867.db2.gz PKNXGFKNGSFIRZ-SRZZPIQSSA-N -1 3 371.824 3.603 50 30 FHEAHM CC(=N[O-])c1ccc(N=C2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000245240533 519351421 /nfs/dbraw/zinc/35/14/21/519351421.db2.gz ZNXYMEVBZWGVTR-UHFFFAOYSA-N -1 3 358.195 3.720 50 30 FHEAHM COc1ccccc1N1CCN(/N=C/c2c([O-])ccc3ccccc32)CC1 ZINC000000946048 537063025 /nfs/dbraw/zinc/06/30/25/537063025.db2.gz ROCGVCRBDSXIBN-XQNSMLJCSA-N -1 3 361.445 3.710 50 30 FHEAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccnc3ccccc32)C1 ZINC000012324495 568179970 /nfs/dbraw/zinc/17/99/70/568179970.db2.gz PKXIJCASOWPXDV-QGZVFWFLSA-N -1 3 361.405 3.840 50 30 FHEAHM O=C1[N-]/C(=N/N=C/c2ccco2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000004075920 570574636 /nfs/dbraw/zinc/57/46/36/570574636.db2.gz JZVJZNZVGCIPCX-VGTRTNLYSA-N -1 3 368.245 3.751 50 30 FHEAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 ZINC000102577826 570833848 /nfs/dbraw/zinc/83/38/48/570833848.db2.gz YEPHVBYZWSGFCC-GOSISDBHSA-N -1 3 357.413 3.730 50 30 FHEAHM Cc1ccc2nc(C3C([O-])=CN(c4cccc5ccccc54)C3=N)[nH]c2c1 ZINC000008844099 571062907 /nfs/dbraw/zinc/06/29/07/571062907.db2.gz LAAKMZIZHCJLLE-UHFFFAOYSA-N -1 3 354.413 3.741 50 30 FHEAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000040050773 571070224 /nfs/dbraw/zinc/07/02/24/571070224.db2.gz YQQWSULLVIBAPC-UHFFFAOYSA-N -1 3 365.414 3.855 50 30 FHEAHM CC(=O)SCC([O-])=C(C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000009452476 571109810 /nfs/dbraw/zinc/10/98/10/571109810.db2.gz LPXVNYXQAJDRIQ-SECBINFHSA-N -1 3 358.366 3.771 50 30 FHEAHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000010030303 571122386 /nfs/dbraw/zinc/12/23/86/571122386.db2.gz FRXOOLQHBKYDCT-INIZCTEOSA-N -1 3 373.456 3.827 50 30 FHEAHM COc1cccc(-c2c3c(C)nn(-c4ccccc4)c3nc(N)c2C#N)c1[O-] ZINC000012474885 220000227 /nfs/dbraw/zinc/00/02/27/220000227.db2.gz GEZLGTDWJODBNX-UHFFFAOYSA-N -1 3 371.400 3.564 50 30 FHEAHM COc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000016195510 220180117 /nfs/dbraw/zinc/18/01/17/220180117.db2.gz XYURKKSGVYRMOP-QGMBQPNBSA-N -1 3 354.175 3.984 50 30 FHEAHM O=C1[N-]/C(=N/c2ccc(Br)cc2)S[C@@H]1Cc1ccccc1 ZINC000017178694 220209989 /nfs/dbraw/zinc/20/99/89/220209989.db2.gz OHBYJNKFBMTCIY-CQSZACIVSA-N -1 3 361.264 3.911 50 30 FHEAHM O=C1[N-]/C(=N/N=C/c2ccco2)S[C@H]1Cc1ccc(Cl)cc1Cl ZINC000018209393 220227915 /nfs/dbraw/zinc/22/79/15/220227915.db2.gz YHDREEMRIJGFSE-VFJJTOLMSA-N -1 3 368.245 3.751 50 30 FHEAHM COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1[O-] ZINC000019973807 220309184 /nfs/dbraw/zinc/30/91/84/220309184.db2.gz UKHPKNFTSUIRKB-UHFFFAOYSA-N -1 3 373.836 3.755 50 30 FHEAHM N#Cc1c(N)nc(-c2ccc([O-])cc2)cc1-c1cnc(-c2ccco2)nc1 ZINC000067790636 221287115 /nfs/dbraw/zinc/28/71/15/221287115.db2.gz AIISLQYHDGNHST-UHFFFAOYSA-N -1 3 355.357 3.625 50 30 FHEAHM COc1cc(-c2c(C)c([C@@H]3CC3(C)C)nc(N)c2C#N)cc(OC)c1[O-] ZINC000071747690 221359360 /nfs/dbraw/zinc/35/93/60/221359360.db2.gz MNZKRXCVVUYARI-ZDUSSCGKSA-N -1 3 353.422 3.747 50 30 FHEAHM CCOc1cc(-c2c3c(nc(N)c2C#N)-c2cccc(O)c2C3)ccc1[O-] ZINC000071752778 221363611 /nfs/dbraw/zinc/36/36/11/221363611.db2.gz RLXRRAZOOSJQTP-UHFFFAOYSA-N -1 3 359.385 3.584 50 30 FHEAHM N#CC(=C([O-])c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1 ZINC000097001610 222149224 /nfs/dbraw/zinc/14/92/24/222149224.db2.gz FIPZBMYOSQNAJB-GFCCVEGCSA-N -1 3 358.279 3.640 50 30 FHEAHM COc1cc(/N=C/c2cc(Br)cc(OC)c2[O-])cc(OC)c1 ZINC000100317020 222241713 /nfs/dbraw/zinc/24/17/13/222241713.db2.gz QMDYONALYHDASI-GIJQJNRQSA-N -1 3 366.211 3.931 50 30 FHEAHM O=C1c2ccc([O-])c(CN3CCCCCC3)c2O/C1=C\c1ccncc1 ZINC000002218709 263145070 /nfs/dbraw/zinc/14/50/70/263145070.db2.gz UEGDZQIKUOMVAF-UYRXBGFRSA-N -1 3 350.418 3.779 50 30 FHEAHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cnc21 ZINC000041553570 520082860 /nfs/dbraw/zinc/08/28/60/520082860.db2.gz AIAFTZNKDPZVNE-AWEZNQCLSA-N -1 3 373.338 3.916 50 30 FHEAHM O=C(CSc1nc(N=NC2CCCCCC2)n[n-]1)OCc1ccccc1 ZINC000020522773 527049572 /nfs/dbraw/zinc/04/95/72/527049572.db2.gz NYWDMOSFMYYTGV-UHFFFAOYSA-N -1 3 373.482 3.762 50 30 FHEAHM O=C(CSc1nnc(N=NC2CCCCCC2)[n-]1)OCc1ccccc1 ZINC000020522773 527049577 /nfs/dbraw/zinc/04/95/77/527049577.db2.gz NYWDMOSFMYYTGV-UHFFFAOYSA-N -1 3 373.482 3.762 50 30 FHEAHM O=C(CSc1n[n-]c(N=NC2CCCCCC2)n1)OCc1ccccc1 ZINC000020522773 527049582 /nfs/dbraw/zinc/04/95/82/527049582.db2.gz NYWDMOSFMYYTGV-UHFFFAOYSA-N -1 3 373.482 3.762 50 30 FHEAHM CCOc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347496 568282919 /nfs/dbraw/zinc/28/29/19/568282919.db2.gz 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C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020533500 220330500 /nfs/dbraw/zinc/33/05/00/220330500.db2.gz VQPIQPNNLWOARI-AXLWCPOOSA-N -1 3 350.418 3.778 50 30 FHEAHM C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020504062 220330794 /nfs/dbraw/zinc/33/07/94/220330794.db2.gz YEKOVBDKFFIYOR-VCRXTVNUSA-N -1 3 350.418 3.778 50 30 FHEAHM CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1/Cc2c(cccc2[O-])C1=O ZINC000059324531 221125762 /nfs/dbraw/zinc/12/57/62/221125762.db2.gz SJYNMCMGWWEEQW-KAMYIIQDSA-N -1 3 374.396 3.577 50 30 FHEAHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000060915436 221133435 /nfs/dbraw/zinc/13/34/35/221133435.db2.gz AJKIQEMIPFVLJO-UHFFFAOYSA-N -1 3 364.430 3.555 50 30 FHEAHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC12CC3CC(CC(C3)C1)C2 ZINC000060943836 221133577 /nfs/dbraw/zinc/13/35/77/221133577.db2.gz SLOZMAPGHXRYDK-UHFFFAOYSA-N -1 3 368.477 3.556 50 30 FHEAHM N#Cc1c(N)nc(-c2ccc([O-])cc2)cc1-c1cccc(-n2cccn2)c1 ZINC000067696282 221274004 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