smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000033554804 203930856 /nfs/dbraw/zinc/93/08/56/203930856.db2.gz CVNIGEUMNNFVPO-QINSGFPZSA-N -1 0 374.396 3.604 50 30 FHEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000004611771 204150178 /nfs/dbraw/zinc/15/01/78/204150178.db2.gz KQWSFSCGHQOOKF-XBFCOCLRSA-N -1 0 358.463 3.740 50 30 FHEARM O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(Br)c1 ZINC000004602871 204150428 /nfs/dbraw/zinc/15/04/28/204150428.db2.gz CNMBANXIFWLIKG-VIZOYTHASA-N -1 0 366.127 3.722 50 30 FHEARM CCN(CC)c1ccc(C=[NH+][N-]c2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000006078480 204236695 /nfs/dbraw/zinc/23/66/95/204236695.db2.gz JTLPUORDCBYKIZ-FYJGNVAPSA-N -1 0 359.437 3.798 50 30 FHEARM N#Cc1c(NC(=O)Cc2ccccc2C(=O)[O-])sc2c1CCCCC2 ZINC000071280394 205025878 /nfs/dbraw/zinc/02/58/78/205025878.db2.gz DWFOHOSFXFFPRK-UHFFFAOYSA-N -1 0 354.431 3.768 50 30 FHEARM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041544097 205091032 /nfs/dbraw/zinc/09/10/32/205091032.db2.gz NCSPCPFNSDCVKF-CQSZACIVSA-N -1 0 358.357 3.512 50 30 FHEARM CC(C)C(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000057878129 205246511 /nfs/dbraw/zinc/24/65/11/205246511.db2.gz VTWLZJNCEFUYFH-KRWDZBQOSA-N -1 0 365.385 3.510 50 30 FHEARM COc1ccc(-c2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c2C#N)cc1 ZINC000001041073 206145388 /nfs/dbraw/zinc/14/53/88/206145388.db2.gz HIFPGVJMJQKWMC-UHFFFAOYSA-N -1 0 352.781 3.714 50 30 FHEARM CCOc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)ccc1OC(F)F ZINC000007503235 206232782 /nfs/dbraw/zinc/23/27/82/206232782.db2.gz XTOZZRUPIFMXMC-GQCTYLIASA-N -1 0 366.316 3.550 50 30 FHEARM O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/c1cc(Cl)c([O-])c(Cl)c1 ZINC000077024165 518202574 /nfs/dbraw/zinc/20/25/74/518202574.db2.gz QNDTTXKNSMDCBN-UHFFFAOYSA-N -1 0 352.133 3.680 50 30 FHEARM CC(C)C[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000082076664 519382142 /nfs/dbraw/zinc/38/21/42/519382142.db2.gz VODJOHQYDIEASZ-IBGZPJMESA-N -1 0 354.450 3.821 50 30 FHEARM CC(=O)OC[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@H](C(=O)[O-])[C@@]3(C)CC[C@H]12 ZINC000254712720 519756549 /nfs/dbraw/zinc/75/65/49/519756549.db2.gz HOGUPSMVUUERKH-MGNVCTHBSA-N -1 0 374.477 3.762 50 30 FHEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2cccc(OC)c2)ccc1O ZINC000001478944 520645150 /nfs/dbraw/zinc/64/51/50/520645150.db2.gz CAQNUVSGLYXLLY-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)cc1 ZINC000070038253 523346387 /nfs/dbraw/zinc/34/63/87/523346387.db2.gz BLTDZRWDDHIDQU-UHFFFAOYSA-N -1 0 360.479 3.666 50 30 FHEARM N#CC(=C([O-])c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2o1 ZINC000041543365 526493332 /nfs/dbraw/zinc/49/33/32/526493332.db2.gz IZVROQJJHDNSTC-INIZCTEOSA-N -1 0 359.385 3.835 50 30 FHEARM O=C1c2cc(Cl)cc(Cl)c2O/C1=C\c1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC000299738315 527121127 /nfs/dbraw/zinc/12/11/27/527121127.db2.gz UHUSGKMONAQNMY-BASWHVEKSA-N -1 0 368.128 3.929 50 30 FHEARM O=C([N-]S(=O)(=O)c1cccnc1)c1ccc(OCC2CCCCC2)cc1 ZINC000066002937 527161528 /nfs/dbraw/zinc/16/15/28/527161528.db2.gz BACJGZHVUNRGOY-UHFFFAOYSA-N -1 0 374.462 3.734 50 30 FHEARM O=C(C=Cc1ccc(Cl)cc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058150873 527191347 /nfs/dbraw/zinc/19/13/47/527191347.db2.gz MZXFBXHGNFOIAH-XBXARRHUSA-N -1 0 371.245 3.888 50 30 FHEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000097465376 570687953 /nfs/dbraw/zinc/68/79/53/570687953.db2.gz YEUVFRVDUFKLBS-UHFFFAOYSA-N -1 0 366.414 3.588 50 30 FHEARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c([N+](=O)[O-])c1 ZINC000012524414 570749157 /nfs/dbraw/zinc/74/91/57/570749157.db2.gz GJMYZTQCUKZMQF-YBFXNURJSA-N -1 0 352.350 3.554 50 30 FHEARM Cc1[n-]n(C)c(=O)c1N=Nc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000013469127 570777956 /nfs/dbraw/zinc/77/79/56/570777956.db2.gz NCNAGHQXJGEBCQ-NVMNQCDNSA-N -1 0 353.131 3.628 50 30 FHEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020065813 570909440 /nfs/dbraw/zinc/90/94/40/570909440.db2.gz QHUXILPJUCCMQE-INIZCTEOSA-N -1 0 371.776 3.527 50 30 FHEARM CCOc1ccc(NC(=O)c2c[nH]nc2N=Cc2ccccc2O)cc1 ZINC000021658601 570932484 /nfs/dbraw/zinc/93/24/84/570932484.db2.gz VXCHZVQUAKJWLK-RGVLZGJSSA-N -1 0 350.378 3.517 50 30 FHEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(F)cc2C)c1=O ZINC000012414650 571096011 /nfs/dbraw/zinc/09/60/11/571096011.db2.gz XJAHBVPXACBLNF-UHFFFAOYSA-N -1 0 352.365 3.593 50 30 FHEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002479166 571124933 /nfs/dbraw/zinc/12/49/33/571124933.db2.gz LQGJBOVUXDISQT-UHFFFAOYSA-N -1 0 374.853 3.682 50 30 FHEARM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1OCCc2ccccc21 ZINC000077881242 571140848 /nfs/dbraw/zinc/14/08/48/571140848.db2.gz GUQIYKFOIJLLKV-KDOFPFPSSA-N -1 0 359.447 3.738 50 30 FHEARM Cc1cc(=O)oc2c(C=NN=c3[nH]c4ccccc4s3)c([O-])ccc12 ZINC000252589903 571283807 /nfs/dbraw/zinc/28/38/07/571283807.db2.gz AOKFVHMXLRXMRA-UHFFFAOYSA-N -1 0 351.387 3.863 50 30 FHEARM COc1ccccc1/C=C1/SC(=Nc2cccc(C(=O)[O-])c2)N(C)C1=O ZINC000252615670 571285904 /nfs/dbraw/zinc/28/59/04/571285904.db2.gz JUQZSVKJWFINEH-ZRHYCJNMSA-N -1 0 368.414 3.627 50 30 FHEARM Brc1cccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1 ZINC000252621484 571288265 /nfs/dbraw/zinc/28/82/65/571288265.db2.gz MZNQGXHEIREPDH-UHFFFAOYSA-N -1 0 367.210 3.715 50 30 FHEARM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000076059530 571320083 /nfs/dbraw/zinc/32/00/83/571320083.db2.gz JOVKUGDCMDYMIA-UHFFFAOYSA-N -1 0 366.446 3.729 50 30 FHEARM N#Cc1c(=O)[n-]c(Nc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000095921851 571332306 /nfs/dbraw/zinc/33/23/06/571332306.db2.gz QYVXKBJZGCPSQP-UHFFFAOYSA-N -1 0 367.752 3.614 50 30 FHEARM CCCCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000021658751 571335386 /nfs/dbraw/zinc/33/53/86/571335386.db2.gz IXYRMKKRSKTSKQ-GFCCVEGCSA-N -1 0 357.435 3.545 50 30 FHEARM COc1cc(C(=O)[O-])c(Br)cc1OCc1ccccc1C#N ZINC000227156773 571342771 /nfs/dbraw/zinc/34/27/71/571342771.db2.gz DQPALLLNPJQAIV-UHFFFAOYSA-N -1 0 362.179 3.607 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(N(C)C)cc2)cc1 ZINC000001473627 204009519 /nfs/dbraw/zinc/00/95/19/204009519.db2.gz WYDGWUZTZPVRID-XDHOZWIPSA-N -1 0 353.451 3.564 50 30 FHEARM CCCCCCCCOc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000002051724 204024734 /nfs/dbraw/zinc/02/47/34/204024734.db2.gz ZNEGOCGGTGQMGW-UHFFFAOYSA-N -1 0 374.481 3.635 50 30 FHEARM COc1cccc(C=Nc2ccccc2-c2n[nH]c(=S)[n-]c2=O)c1OC ZINC000003189786 204080778 /nfs/dbraw/zinc/08/07/78/204080778.db2.gz NJCOWJGIHHCVNX-VXLYETTFSA-N -1 0 368.418 3.675 50 30 FHEARM CCc1ccc(-n2cc(C(=O)c3cc(C)ccc3[O-])cc(C#N)c2=O)cc1 ZINC000003312772 204089773 /nfs/dbraw/zinc/08/97/73/204089773.db2.gz PFAKJVBZZMHRNI-UHFFFAOYSA-N -1 0 358.397 3.517 50 30 FHEARM C/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1cc(Cl)ccc1O ZINC000004673368 204152420 /nfs/dbraw/zinc/15/24/20/204152420.db2.gz GYBHFNFDMQLCFN-CIAFOILYSA-N -1 0 355.825 3.984 50 30 FHEARM O=C([O-])c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1O ZINC000004675720 204153882 /nfs/dbraw/zinc/15/38/82/204153882.db2.gz JOGGYQBEYSWCLI-BQYQJAHWSA-N -1 0 362.179 3.661 50 30 FHEARM O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c([O-])c1 ZINC000004460301 204139673 /nfs/dbraw/zinc/13/96/73/204139673.db2.gz SOMCSFNHZJCQEO-VIZOYTHASA-N -1 0 366.127 3.722 50 30 FHEARM COc1cc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(OC)c1 ZINC000005432742 204208480 /nfs/dbraw/zinc/20/84/80/204208480.db2.gz CLJWGOFDPZICCW-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000005022577 204184888 /nfs/dbraw/zinc/18/48/88/204184888.db2.gz IJDHFUSWEPGFIA-DYTRJAOYSA-N -1 0 365.393 3.711 50 30 FHEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2OC)c1 ZINC000005932614 204230594 /nfs/dbraw/zinc/23/05/94/204230594.db2.gz OFMUCOVQGFBBOZ-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM COc1ccc(-c2nc(N(C)Cc3ccccc3F)[n-]c(=O)c2C#N)cc1 ZINC000040122663 205058218 /nfs/dbraw/zinc/05/82/18/205058218.db2.gz YTEZHZZPZXHKKK-UHFFFAOYSA-N -1 0 364.380 3.505 50 30 FHEARM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c3c2CCC3)cc1 ZINC000041560233 205091504 /nfs/dbraw/zinc/09/15/04/205091504.db2.gz HLMCJXLDTSQZPY-SFHVURJKSA-N -1 0 371.444 3.566 50 30 FHEARM Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccccc1OCC(=O)[O-] ZINC000071759433 205443065 /nfs/dbraw/zinc/44/30/65/205443065.db2.gz GYPFDMUBXJVXRU-UHFFFAOYSA-N -1 0 359.385 3.641 50 30 FHEARM CCCCCCCOC(=O)[C@H](C#N)[C@@H](c1c(C)[nH][nH]c1=O)c1ccccc1 ZINC000195533627 206332073 /nfs/dbraw/zinc/33/20/73/206332073.db2.gz YQUYDXZBSKSRRB-QRVBRYPASA-N -1 0 369.465 3.545 50 30 FHEARM Cc1cc(C)cc(C(=O)C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CS3)c1 ZINC000103691784 222341419 /nfs/dbraw/zinc/34/14/19/222341419.db2.gz UDTXZRMPOQNGID-HNNXBMFYSA-N -1 0 364.426 3.553 50 30 FHEARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)cc1 ZINC000048472778 263407407 /nfs/dbraw/zinc/40/74/07/263407407.db2.gz LWNGFVSWIBJXMM-UHFFFAOYSA-N -1 0 357.431 3.656 50 30 FHEARM CCCCCCCCCCCCCC(=O)c1c([O-])[nH]c(=O)n(C)c1=O ZINC000070665231 519987819 /nfs/dbraw/zinc/98/78/19/519987819.db2.gz BMEXQCJUKXZUGX-UHFFFAOYSA-N -1 0 352.475 3.663 50 30 FHEARM COc1cc(Br)ccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000102423452 570515303 /nfs/dbraw/zinc/51/53/03/570515303.db2.gz KNUBYNAGYIYMDU-LZYBPNLTSA-N -1 0 351.156 3.822 50 30 FHEARM CSC(=S)[N-]c1ccc(S(=O)(=O)N=C(SC)SC)cc1 ZINC000141072217 570630569 /nfs/dbraw/zinc/63/05/69/570630569.db2.gz BTZGWHCSRGKELG-UHFFFAOYSA-N -1 0 366.580 3.517 50 30 FHEARM CC[C@@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000079172755 570634956 /nfs/dbraw/zinc/63/49/56/570634956.db2.gz IZGLVYZLWYVFSX-CQSZACIVSA-N -1 0 368.480 3.571 50 30 FHEARM CC(C)OP(=O)(OC(C)C)/C(C=O)=N\[N-]c1ccc([N+](=O)[O-])cc1 ZINC000013764542 570789849 /nfs/dbraw/zinc/78/98/49/570789849.db2.gz YJLCBEWPJGDRSK-PEZBUJJGSA-N -1 0 357.303 3.562 50 30 FHEARM CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2O)C[C@@H]1c1ccc(OC)cc1 ZINC000034600537 570870105 /nfs/dbraw/zinc/87/01/05/570870105.db2.gz DXKGQBZQPLPKPY-WIYYLYMNSA-N -1 0 366.413 3.720 50 30 FHEARM Cc1ccc(-c2cc(C(=O)OCc3cn4ccccc4c3C#N)n[nH]2)s1 ZINC000084205742 571078973 /nfs/dbraw/zinc/07/89/73/571078973.db2.gz VURNOPFVOKTCJJ-UHFFFAOYSA-N -1 0 362.414 3.928 50 30 FHEARM C=CCOC(=O)c1sc(=NC(=O)c2oc3ccccc3c2C)[n-]c1C ZINC000008738244 571112390 /nfs/dbraw/zinc/11/23/90/571112390.db2.gz DPWSJMIGGKUEEL-UHFFFAOYSA-N -1 0 356.403 3.523 50 30 FHEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccco1 ZINC000096336098 571335489 /nfs/dbraw/zinc/33/54/89/571335489.db2.gz SFZFHOQDHGYGTI-CQSZACIVSA-N -1 0 370.361 3.658 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3F)s2)C(=O)O1 ZINC000102500434 942067552 /nfs/dbraw/zinc/06/75/52/942067552.db2.gz QOFFQFORTBLQEZ-IWHGQQBYSA-N -1 0 356.374 3.782 50 30 FHEARM C=CCc1c([O-])nc(SCc2ccccc2)n(-c2ccccc2)c1=O ZINC000013957255 203856265 /nfs/dbraw/zinc/85/62/65/203856265.db2.gz MZNMIVDMUAEBSJ-UHFFFAOYSA-N -1 0 350.443 3.959 50 30 FHEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2nc3ccccc3[nH]2)c1 ZINC000001304820 203998338 /nfs/dbraw/zinc/99/83/38/203998338.db2.gz UOEMFIPQZCWHTN-FRKPEAEDSA-N -1 0 361.155 3.690 50 30 FHEARM COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCCC3)c1[O-] ZINC000004150696 204125094 /nfs/dbraw/zinc/12/50/94/204125094.db2.gz SSWMGFVMYCIRJD-DJKKODMXSA-N -1 0 357.391 3.872 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)c(OC)c1 ZINC000005432843 204208842 /nfs/dbraw/zinc/20/88/42/204208842.db2.gz QKVJRDIQXOIEMD-VXLYETTFSA-N -1 0 358.398 3.646 50 30 FHEARM O=C([O-])C[C@H]1SC(=Nc2ccc(Cl)cc2C(F)(F)F)NC1=O ZINC000005630900 204218624 /nfs/dbraw/zinc/21/86/24/204218624.db2.gz DNMRZNDKUVMIFG-MRVPVSSYSA-N -1 0 352.721 3.893 50 30 FHEARM O=S(=O)([N-]c1ccccn1)c1ccc(/N=C/c2ccccc2F)cc1 ZINC000006057156 204236703 /nfs/dbraw/zinc/23/67/03/204236703.db2.gz NBBYAKQKVHMFEE-FYJGNVAPSA-N -1 0 355.394 3.772 50 30 FHEARM COc1ccc(-c2nc(NCc3ccccc3Cl)[n-]c(=O)c2C#N)cc1 ZINC000040129959 205058456 /nfs/dbraw/zinc/05/84/56/205058456.db2.gz RNGNYNXYPSFANM-UHFFFAOYSA-N -1 0 366.808 3.995 50 30 FHEARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1-c1ccno1 ZINC000064845166 205307724 /nfs/dbraw/zinc/30/77/24/205307724.db2.gz YWPQCLTWLGYVTA-UHFFFAOYSA-N -1 0 359.432 3.692 50 30 FHEARM C=CCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000101156792 206227003 /nfs/dbraw/zinc/22/70/03/206227003.db2.gz VWGDIOVZCSTQCC-UHFFFAOYSA-N -1 0 364.474 3.731 50 30 FHEARM COC(=O)C[C@H](c1ccccc1Cl)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000218207333 206368305 /nfs/dbraw/zinc/36/83/05/206368305.db2.gz CYLMULIHIBZPLB-CQSZACIVSA-N -1 0 370.788 3.878 50 30 FHEARM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CCc1cccc(Cl)c1 ZINC000048677637 523346439 /nfs/dbraw/zinc/34/64/39/523346439.db2.gz XYFUARRQPXGEFA-UHFFFAOYSA-N -1 0 366.870 3.606 50 30 FHEARM COc1ccccc1C(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1C ZINC000103503184 524362987 /nfs/dbraw/zinc/36/29/87/524362987.db2.gz OSLHKIFCXPAAPS-KRWDZBQOSA-N -1 0 373.412 3.703 50 30 FHEARM O=C([O-])C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl ZINC000095670509 570470570 /nfs/dbraw/zinc/47/05/70/570470570.db2.gz ANRGSWRBGXZQLY-IMJSIDKUSA-N -1 0 363.415 3.982 50 30 FHEARM CCOC(=O)C(C#N)=C([O-])c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001048695 570477306 /nfs/dbraw/zinc/47/73/06/570477306.db2.gz SGTZSEWIKYHVTH-VIFPVBQESA-N -1 0 367.188 3.842 50 30 FHEARM CCOC(=O)C(C#N)=C([O-])c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001048696 570477367 /nfs/dbraw/zinc/47/73/67/570477367.db2.gz SGTZSEWIKYHVTH-SECBINFHSA-N -1 0 367.188 3.842 50 30 FHEARM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc1 ZINC000100332456 570503133 /nfs/dbraw/zinc/50/31/33/570503133.db2.gz GMRBPNUPZMEDAQ-VKAVYKQESA-N -1 0 358.438 3.518 50 30 FHEARM CCc1ccc(-c2cc(-c3cc(CC(=O)[O-])cs3)nc(N)c2C#N)o1 ZINC000071746789 570510390 /nfs/dbraw/zinc/51/03/90/570510390.db2.gz IUNKFLHWXJPEPL-UHFFFAOYSA-N -1 0 353.403 3.713 50 30 FHEARM COC(=O)[C@H]1C([O-])=C(C(C)=Nc2cccc3ccccc32)C(=O)CC1(C)C ZINC000100281832 570551480 /nfs/dbraw/zinc/55/14/80/570551480.db2.gz XAPWKYSDNTYLLY-HJDVLLJCSA-N -1 0 365.429 3.883 50 30 FHEARM N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])sc2c1C1CCN2CC1 ZINC000015008340 570828942 /nfs/dbraw/zinc/82/89/42/570828942.db2.gz ITEXCOMDUKOIKN-DJKKODMXSA-N -1 0 354.391 3.682 50 30 FHEARM O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1ccccc1 ZINC000102858455 570840585 /nfs/dbraw/zinc/84/05/85/570840585.db2.gz DMUGFGUHBBXARI-UYTDBDHRSA-N -1 0 362.410 3.769 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccs2)no1 ZINC000016742377 570861574 /nfs/dbraw/zinc/86/15/74/570861574.db2.gz NWRFJHZAFTUDKO-CQSZACIVSA-N -1 0 372.427 3.889 50 30 FHEARM N#Cc1c(N)nc2sc3c([nH]c(=O)cc3[O-])c2c1-c1ccc(Cl)cc1 ZINC000018182671 571319357 /nfs/dbraw/zinc/31/93/57/571319357.db2.gz PTVFENXNARYNMA-UHFFFAOYSA-N -1 0 368.805 3.618 50 30 FHEARM COc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000095215270 571328750 /nfs/dbraw/zinc/32/87/50/571328750.db2.gz AMUSYDVGRGMDKP-DARPEHSRSA-N -1 0 370.412 3.914 50 30 FHEARM C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000013881325 203856667 /nfs/dbraw/zinc/85/66/67/203856667.db2.gz KLYOBAKCMUGBSF-XNTDXEJSSA-N -1 0 355.371 3.867 50 30 FHEARM C=CC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385910 203861070 /nfs/dbraw/zinc/86/10/70/203861070.db2.gz SVCMPCVPSYAVJO-CQSZACIVSA-N -1 0 351.402 3.945 50 30 FHEARM Cc1cc([O-])c(C(=O)/C=C/C=C/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1 ZINC000227173081 203880116 /nfs/dbraw/zinc/88/01/16/203880116.db2.gz SVYBKGVKYJVONS-NYYLHBDNSA-N -1 0 353.330 3.571 50 30 FHEARM COc1ccc(-c2c(C)sc(NC(=O)CCCC(=O)[O-])c2C#N)cc1 ZINC000002789090 204057383 /nfs/dbraw/zinc/05/73/83/204057383.db2.gz XZOZFEDGZPUYRK-UHFFFAOYSA-N -1 0 358.419 3.797 50 30 FHEARM [O-]c1c(Cl)cc(Cl)cc1CN=Nc1ncc(Br)cn1 ZINC000004595567 204149497 /nfs/dbraw/zinc/14/94/97/204149497.db2.gz USLBNUZIKJCFBJ-IJUHEHPCSA-N -1 0 362.014 3.698 50 30 FHEARM N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004646566 204152113 /nfs/dbraw/zinc/15/21/13/204152113.db2.gz BJRKVCNTDTWVOA-KBPBESRZSA-N -1 0 358.463 3.884 50 30 FHEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC000004628790 204152224 /nfs/dbraw/zinc/15/22/24/204152224.db2.gz QAGUHPZMIFAYBW-BNOWGMLFSA-N -1 0 360.479 3.964 50 30 FHEARM O=C([O-])c1cccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000004811339 204165558 /nfs/dbraw/zinc/16/55/58/204165558.db2.gz JUPQYTORKCHMOD-YBFXNURJSA-N -1 0 351.318 3.999 50 30 FHEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1 ZINC000006003857 204233136 /nfs/dbraw/zinc/23/31/36/204233136.db2.gz GHCHJQUPNDMORP-VXLYETTFSA-N -1 0 372.837 3.930 50 30 FHEARM COc1ccc(-c2nc(SCc3ccc(C#N)cc3)[n-]c(=O)c2C#N)cc1 ZINC000006009113 204233701 /nfs/dbraw/zinc/23/37/01/204233701.db2.gz FBIABUCJZGOTPN-UHFFFAOYSA-N -1 0 374.425 3.893 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)c(OC)c1 ZINC000006055700 204236647 /nfs/dbraw/zinc/23/66/47/204236647.db2.gz XRHXWFVKHGJSKW-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM CCOC(=O)c1sc([N-]c2ncc(C#N)c(-c3ccccc3)n2)nc1C ZINC000008970459 204350587 /nfs/dbraw/zinc/35/05/87/204350587.db2.gz QDYUEFROEVZCSP-UHFFFAOYSA-N -1 0 365.418 3.701 50 30 FHEARM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccc(F)cc1 ZINC000041540835 205092126 /nfs/dbraw/zinc/09/21/26/205092126.db2.gz FJWIRIBMDQTKQK-HNNXBMFYSA-N -1 0 360.348 3.951 50 30 FHEARM COc1ccc(-c2nc(SCc3nc(C)c(C)o3)[n-]c(=O)c2C#N)cc1 ZINC000058167178 205252456 /nfs/dbraw/zinc/25/24/56/205252456.db2.gz KHSLOHXNWOLXHX-UHFFFAOYSA-N -1 0 368.418 3.627 50 30 FHEARM COc1ccccc1-c1cc(-c2cc(C(=O)[O-])cs2)nc(N)c1C#N ZINC000071405579 205427636 /nfs/dbraw/zinc/42/76/36/205427636.db2.gz CLAIFSCRPNFPMZ-UHFFFAOYSA-N -1 0 351.387 3.638 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000101231780 205954980 /nfs/dbraw/zinc/95/49/80/205954980.db2.gz WFPTWGVUTNCUAD-HVESIFNPSA-N -1 0 353.805 3.948 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3ccc(Cl)cc3)n2)C(=O)O1 ZINC000105640403 206008897 /nfs/dbraw/zinc/00/88/97/206008897.db2.gz YCWNWTIWLGLHOX-MWWKQMNYSA-N -1 0 373.817 3.692 50 30 FHEARM CCc1ccc(-c2c(C)sc(NC(=O)CSCC(=O)[O-])c2C#N)cc1 ZINC000017076657 206321285 /nfs/dbraw/zinc/32/12/85/206321285.db2.gz LVMBRIZQLMEZGL-UHFFFAOYSA-N -1 0 374.487 3.914 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2)c1 ZINC000005408641 263341346 /nfs/dbraw/zinc/34/13/46/263341346.db2.gz OXUDGLDDNKVSBP-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM CCN(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000095461492 520269273 /nfs/dbraw/zinc/26/92/73/520269273.db2.gz DRZKUDNSXNLTML-LJQANCHMSA-N -1 0 372.490 3.514 50 30 FHEARM O=C(/C=C/C(=O)c1ccccc1[O-])OCc1ccc(Br)cc1 ZINC000024835279 527592483 /nfs/dbraw/zinc/59/24/83/527592483.db2.gz HWLCFQMGVBNEAR-MDZDMXLPSA-N -1 0 361.191 3.637 50 30 FHEARM CCc1c(C)sc([N-]C(NC(C)=O)(C(F)(F)F)C(F)(F)F)c1C#N ZINC000000721291 568133891 /nfs/dbraw/zinc/13/38/91/568133891.db2.gz CVOFUHWSZVSILT-UHFFFAOYSA-N -1 0 373.322 3.860 50 30 FHEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000001192351 570491093 /nfs/dbraw/zinc/49/10/93/570491093.db2.gz IJBDSWPUQTWHLB-UHFFFAOYSA-N -1 0 374.340 3.608 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)c(OC)c2)cc1 ZINC000001307345 570497215 /nfs/dbraw/zinc/49/72/15/570497215.db2.gz DVVZYVKFFQFGHO-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM C[C@@H]1CC[C@](C#N)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172621 570510674 /nfs/dbraw/zinc/51/06/74/570510674.db2.gz QMTTTYCGJUXRGP-ZHRRBRCNSA-N -1 0 359.429 3.928 50 30 FHEARM COc1cccc(-c2cc(-c3cc(CC(=O)[O-])cs3)nc(N)c2C#N)c1 ZINC000071767686 570512229 /nfs/dbraw/zinc/51/22/29/570512229.db2.gz MLDDCHWGAHABAN-UHFFFAOYSA-N -1 0 365.414 3.567 50 30 FHEARM CC(C)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004738548 570603899 /nfs/dbraw/zinc/60/38/99/570603899.db2.gz STTCSXQUCAZWBA-CBVHTYNASA-N -1 0 367.380 3.551 50 30 FHEARM O=C([O-])c1ccc(NC2=CC(=O)C(Sc3ccccc3)=CC2=O)cc1 ZINC000101528789 570821181 /nfs/dbraw/zinc/82/11/81/570821181.db2.gz JHMIWPWTNJVJMO-UHFFFAOYSA-N -1 0 351.383 3.509 50 30 FHEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)o1 ZINC000102545356 570833051 /nfs/dbraw/zinc/83/30/51/570833051.db2.gz FSUYXQBFOAAXAY-IDTYTIONSA-N -1 0 370.386 3.572 50 30 FHEARM COc1ccc(-c2csc([N-]N=C3C(=O)Nc4ccccc43)n2)cc1 ZINC000016739923 570860975 /nfs/dbraw/zinc/86/09/75/570860975.db2.gz VNAFIRMQVZHMFW-UHFFFAOYSA-N -1 0 350.403 3.658 50 30 FHEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCc1ccc(Cl)cc1 ZINC000109926521 571114583 /nfs/dbraw/zinc/11/45/83/571114583.db2.gz ZVLJGECRLJAWDS-JAIQZWGSSA-N -1 0 370.796 3.655 50 30 FHEARM C#CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000001154918 571123798 /nfs/dbraw/zinc/12/37/98/571123798.db2.gz VSSDKWMQIRMRAY-MHWRWJLKSA-N -1 0 367.382 3.623 50 30 FHEARM C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)CCC(=O)[O-] ZINC000257356516 571163473 /nfs/dbraw/zinc/16/34/73/571163473.db2.gz IRQUJNVGEAJGSD-CGSRYZMKSA-N -1 0 374.477 3.905 50 30 FHEARM COc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000252459967 571278903 /nfs/dbraw/zinc/27/89/03/571278903.db2.gz AMUSYDVGRGMDKP-UHFFFAOYSA-N -1 0 370.412 3.914 50 30 FHEARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2ccccc2)S1 ZINC000252605866 571284862 /nfs/dbraw/zinc/28/48/62/571284862.db2.gz GNQRCMMRCGJTNZ-OAHLLOKOSA-N -1 0 374.849 3.946 50 30 FHEARM N#Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000252611049 571285757 /nfs/dbraw/zinc/28/57/57/571285757.db2.gz IGOFNCWSZSIRGA-UHFFFAOYSA-N -1 0 365.396 3.777 50 30 FHEARM CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21 ZINC000013587680 571320899 /nfs/dbraw/zinc/32/08/99/571320899.db2.gz HIFJCPQKFCZDDL-ITQKTNNISA-N -1 0 360.494 3.541 50 30 fda FHEARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(F)c(F)c2)c1 ZINC000095423645 571329473 /nfs/dbraw/zinc/32/94/73/571329473.db2.gz FKULFBGCULQGSD-UHFFFAOYSA-N -1 0 373.764 3.514 50 30 FHEARM CC(C)c1csc(C(C#N)=C([O-])c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000080456080 571329542 /nfs/dbraw/zinc/32/95/42/571329542.db2.gz GSIVMZUYRWQYKC-AWEZNQCLSA-N -1 0 355.463 3.714 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2[n-]c1=S ZINC000004192304 571356681 /nfs/dbraw/zinc/35/66/81/571356681.db2.gz NLGDTSWCMFEWJZ-WOSRLPQWSA-N -1 0 371.506 3.800 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(F)cc2)cc1OC ZINC000001475974 204009041 /nfs/dbraw/zinc/00/90/41/204009041.db2.gz VXJXYJASGOLPQE-VXLYETTFSA-N -1 0 358.398 3.646 50 30 FHEARM CCOc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(OC)cc1 ZINC000001473641 204009831 /nfs/dbraw/zinc/00/98/31/204009831.db2.gz JHIGUZMADFUTLF-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM Cc1ccc(-n2cccc2C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003186085 204080235 /nfs/dbraw/zinc/08/02/35/204080235.db2.gz GOAPKVBBGHLBIN-UHFFFAOYSA-N -1 0 354.431 3.788 50 30 FHEARM Cc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2[O-])cc(C#N)c1=O ZINC000003251995 204084331 /nfs/dbraw/zinc/08/43/31/204084331.db2.gz LIBKMDVNZGYJCT-UHFFFAOYSA-N -1 0 364.788 3.608 50 30 FHEARM N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004646565 204151852 /nfs/dbraw/zinc/15/18/52/204151852.db2.gz BJRKVCNTDTWVOA-KGLIPLIRSA-N -1 0 358.463 3.884 50 30 FHEARM O=C([O-])C[C@@H]1S/C(=N\N=C2CCCCCC2)N(c2ccccc2)C1=O ZINC000004834148 204168258 /nfs/dbraw/zinc/16/82/58/204168258.db2.gz AYIUNZPZLKTQJH-ZJYNUGOYSA-N -1 0 359.451 3.676 50 30 FHEARM COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000005558020 204214404 /nfs/dbraw/zinc/21/44/04/204214404.db2.gz ZYXJLRFCQPKQBB-NIPZQEADSA-N -1 0 368.414 3.627 50 30 FHEARM S=c1[n-]nc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1cccs1 ZINC000005626433 204218053 /nfs/dbraw/zinc/21/80/53/204218053.db2.gz VKVKLBBLGMJVQO-LICLKQGHSA-N -1 0 352.448 3.941 50 30 FHEARM COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000005880844 204228200 /nfs/dbraw/zinc/22/82/00/204228200.db2.gz IWMFBNHAWNXIBA-MTUBTWAWSA-N -1 0 356.399 3.877 50 30 FHEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)o1 ZINC000008914961 204348762 /nfs/dbraw/zinc/34/87/62/204348762.db2.gz KJMIQYAJIUANBL-QGZVFWFLSA-N -1 0 364.357 3.667 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(C)cc2)no1 ZINC000008742648 204342227 /nfs/dbraw/zinc/34/22/27/204342227.db2.gz KCZCTFMCOSOXKV-QGZVFWFLSA-N -1 0 364.357 3.667 50 30 FHEARM CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc([N+](=O)[O-])c1[O-] ZINC000036032844 205001308 /nfs/dbraw/zinc/00/13/08/205001308.db2.gz IGUAOEMDUDOUQH-RQZCQDPDSA-N -1 0 358.379 3.755 50 30 FHEARM O=C1/C(=N\[O-])c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1 ZINC000100897574 206225146 /nfs/dbraw/zinc/22/51/46/206225146.db2.gz JRTNHHLJAFBVSY-LNVKXUELSA-N -1 0 358.397 3.991 50 30 FHEARM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)[nH]n2)c1 ZINC000170609165 206272373 /nfs/dbraw/zinc/27/23/73/206272373.db2.gz BUEOBTXEZRPNMP-UHFFFAOYSA-N -1 0 374.425 3.902 50 30 FHEARM C#CCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O ZINC000013751394 206306102 /nfs/dbraw/zinc/30/61/02/206306102.db2.gz HQJOAVHLFQGPKP-YBEGLDIGSA-N -1 0 367.382 3.623 50 30 FHEARM COC(=O)C[C@@H](c1ccccc1Cl)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000218207404 206368608 /nfs/dbraw/zinc/36/86/08/206368608.db2.gz CYLMULIHIBZPLB-AWEZNQCLSA-N -1 0 370.788 3.878 50 30 FHEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)ccc1O ZINC000001473682 520643861 /nfs/dbraw/zinc/64/38/61/520643861.db2.gz PHJUCYZQAAZEOL-YBFXNURJSA-N -1 0 354.435 3.903 50 30 FHEARM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000100193767 570501125 /nfs/dbraw/zinc/50/11/25/570501125.db2.gz NHSVFSCYJZNTRM-IXJMWADBSA-N -1 0 355.781 3.779 50 30 FHEARM Cc1ccc(/N=C2/S[C@H](CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000101194052 570510629 /nfs/dbraw/zinc/51/06/29/570510629.db2.gz HMTMTHUUFQSRFI-ZBBYCGENSA-N -1 0 354.431 3.914 50 30 FHEARM CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000073300778 570597111 /nfs/dbraw/zinc/59/71/11/570597111.db2.gz CKAXEKOEWBEQFV-MRXNPFEDSA-N -1 0 362.451 3.618 50 30 FHEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)s1 ZINC000011915627 570601489 /nfs/dbraw/zinc/60/14/89/570601489.db2.gz LNHOGPJVKHGZLG-UHFFFAOYSA-N -1 0 374.447 3.732 50 30 FHEARM CC(C)C(=O)Nc1cccc(NC(=O)C(=O)C=C([O-])c2ccc(F)cc2)c1 ZINC000101355131 570818945 /nfs/dbraw/zinc/81/89/45/570818945.db2.gz AWLFRCZICTTZNH-WQRHYEAKSA-N -1 0 370.380 3.684 50 30 FHEARM O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000102858452 570840552 /nfs/dbraw/zinc/84/05/52/570840552.db2.gz DMUGFGUHBBXARI-IBOXJLQUSA-N -1 0 362.410 3.769 50 30 FHEARM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)C1(C)C ZINC000071808806 571126160 /nfs/dbraw/zinc/12/61/60/571126160.db2.gz HNLRTLJMQIIPHU-GXFFZTMASA-N -1 0 365.480 3.575 50 30 FHEARM CC(C)(C)c1ccc(OCCC[N+]2c3ccccc3C(=N[O-])C2=O)cc1 ZINC000343516961 571142195 /nfs/dbraw/zinc/14/21/95/571142195.db2.gz PAUCTYLJTSVXIH-UHFFFAOYSA-N -1 0 352.434 3.943 50 30 FHEARM N#CC(=C([O-])C(=O)Nc1nc([N+](=O)[O-])cs1)c1cccc2ccccc21 ZINC000048547991 571308909 /nfs/dbraw/zinc/30/89/09/571308909.db2.gz LMDSOWSCVXQKAH-CYBMUJFWSA-N -1 0 366.358 3.669 50 30 FHEARM Cc1cc(=O)[n-]c(SCC(=O)c2cccc(Br)c2)c1C#N ZINC000096563902 571336173 /nfs/dbraw/zinc/33/61/73/571336173.db2.gz QSMMJHOSFJNMMS-UHFFFAOYSA-N -1 0 363.236 3.705 50 30 FHEARM C=CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003043529 571344003 /nfs/dbraw/zinc/34/40/03/571344003.db2.gz FIWATWNBFHTZLX-UHFFFAOYSA-N -1 0 369.490 3.865 50 30 FHEARM N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000263483384 600481283 /nfs/dbraw/zinc/48/12/83/600481283.db2.gz LQVNUMUYBYNOGX-HNNXBMFYSA-N -1 0 365.389 3.679 50 30 FHEARM N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)c1 ZINC000263501127 600482489 /nfs/dbraw/zinc/48/24/89/600482489.db2.gz SZBDVEKGQVLOBM-OAHLLOKOSA-N -1 0 365.389 3.679 50 30 FHEARM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c1 ZINC000001473699 204009634 /nfs/dbraw/zinc/00/96/34/204009634.db2.gz NBXUPSZCJXZRSP-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM O=C(Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1)c1ccco1 ZINC000001512371 204010839 /nfs/dbraw/zinc/01/08/39/204010839.db2.gz GGLCPVGEQZCWOW-YBFXNURJSA-N -1 0 351.318 3.896 50 30 FHEARM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000005602670 204216828 /nfs/dbraw/zinc/21/68/28/204216828.db2.gz ALFKSIGCVTXTNN-UHFFFAOYSA-N -1 0 371.643 3.775 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000005671654 204221431 /nfs/dbraw/zinc/22/14/31/204221431.db2.gz HWGFLFNJBRZAOC-WOJGMQOQSA-N -1 0 369.406 3.797 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000005671659 204221479 /nfs/dbraw/zinc/22/14/79/204221479.db2.gz SMQJWZHBSNJTPY-WOJGMQOQSA-N -1 0 369.406 3.797 50 30 FHEARM COc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000006924768 204282494 /nfs/dbraw/zinc/28/24/94/204282494.db2.gz AMUSYDVGRGMDKP-FLFQWRMESA-N -1 0 370.412 3.914 50 30 FHEARM CN(CCC#N)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053426 205130004 /nfs/dbraw/zinc/13/00/04/205130004.db2.gz QXKYHVWWUNDQOP-UHFFFAOYSA-N -1 0 357.797 3.640 50 30 FHEARM O=C([O-])c1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018199502 220228093 /nfs/dbraw/zinc/22/80/93/220228093.db2.gz VLIWCTLNVCKEDU-LJQANCHMSA-N -1 0 363.369 3.678 50 30 FHEARM CN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100931254 205952319 /nfs/dbraw/zinc/95/23/19/205952319.db2.gz WRENRYNNQSEOTG-DOOOOMTHSA-N -1 0 356.378 3.758 50 30 FHEARM CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc(C(=O)[O-])cc2)CC(=O)O3)C1=O ZINC000217926948 206365255 /nfs/dbraw/zinc/36/52/55/206365255.db2.gz OKRUSGBVXGLKGE-CQSZACIVSA-N -1 0 364.353 3.695 50 30 FHEARM COc1ccc(-c2nc(SCCOC(C)(C)C)[n-]c(=O)c2C#N)cc1 ZINC000058017312 206392548 /nfs/dbraw/zinc/39/25/48/206392548.db2.gz JTAAIMSKYHVHRW-UHFFFAOYSA-N -1 0 359.451 3.637 50 30 FHEARM CC(N=Nc1nc2ccccc2o1)N=Nc1cccc(S(=O)(=O)[O-])c1 ZINC000252678893 520174839 /nfs/dbraw/zinc/17/48/39/520174839.db2.gz HGOAONCFDNMIQY-UHFFFAOYSA-N -1 0 359.367 3.604 50 30 FHEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)ccc1O ZINC000005958740 520644788 /nfs/dbraw/zinc/64/47/88/520644788.db2.gz ZEEPDJDINBKJQE-YBFXNURJSA-N -1 0 354.435 3.903 50 30 FHEARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1Cc1ccco1 ZINC000003186083 526080945 /nfs/dbraw/zinc/08/09/45/526080945.db2.gz DWYLOTXPBOLMAU-UHFFFAOYSA-N -1 0 372.446 3.748 50 30 FHEARM CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1 ZINC000001104508 570480535 /nfs/dbraw/zinc/48/05/35/570480535.db2.gz FUAQZRRTGYKGTR-XSFVSMFZSA-N -1 0 373.478 3.949 50 30 FHEARM Cc1ccc(/N=C2/S[C@@H](CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000012136827 570721312 /nfs/dbraw/zinc/72/13/12/570721312.db2.gz HMTMTHUUFQSRFI-QBNCKDSPSA-N -1 0 354.431 3.914 50 30 FHEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2I)c1 ZINC000016310554 570854314 /nfs/dbraw/zinc/85/43/14/570854314.db2.gz FXDSSIYMPPYEIF-OVCLIPMQSA-N -1 0 368.130 3.656 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000104134917 570857236 /nfs/dbraw/zinc/85/72/36/570857236.db2.gz NLGDTSWCMFEWJZ-DVOMOZLQSA-N -1 0 371.506 3.800 50 30 FHEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=Nc2ccc3n[nH]cc3c2)c1 ZINC000018130377 570875768 /nfs/dbraw/zinc/87/57/68/570875768.db2.gz DSZJQFGBQZFCDN-OMCISZLKSA-N -1 0 361.155 3.690 50 30 FHEARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc2ccccc12 ZINC000048534690 570957108 /nfs/dbraw/zinc/95/71/08/570957108.db2.gz RKDJPZRKJIWLSO-QXMHVHEDSA-N -1 0 369.446 3.549 50 30 FHEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000000847814 571093134 /nfs/dbraw/zinc/09/31/34/571093134.db2.gz TWRBMNAHAUGVAX-FBCYGCLPSA-N -1 0 350.256 3.946 50 30 FHEARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)ON=C1c1ccccc1 ZINC000001439909 571103118 /nfs/dbraw/zinc/10/31/18/571103118.db2.gz WIIHFVNXKYWSLT-PDGQHHTCSA-N -1 0 359.385 3.539 50 30 FHEARM COc1ccc2c(c1)CC/C(=C\c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2=O ZINC000069780411 571103133 /nfs/dbraw/zinc/10/31/33/571103133.db2.gz GVNDUOUWHSQUEX-NTUHNPAUSA-N -1 0 355.346 3.530 50 30 FHEARM C=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000005817027 571103367 /nfs/dbraw/zinc/10/33/67/571103367.db2.gz FPLOZQFLQBASNW-UHFFFAOYSA-N -1 0 354.793 3.799 50 30 FHEARM CC(C)c1ccc(C#N)c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000004123771 571146828 /nfs/dbraw/zinc/14/68/28/571146828.db2.gz HYOGXVUUQBNFNB-UHFFFAOYSA-N -1 0 355.419 3.506 50 30 FHEARM CCN(CC)c1ccc(C=[NH+][N-]c2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000252615614 571285976 /nfs/dbraw/zinc/28/59/76/571285976.db2.gz JTLPUORDCBYKIZ-UHFFFAOYSA-N -1 0 359.437 3.798 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1OC ZINC000001455418 204008646 /nfs/dbraw/zinc/00/86/46/204008646.db2.gz AWEANZUJKYLFLB-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM O=C([N-]C1CCCCC1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002147485 204027694 /nfs/dbraw/zinc/02/76/94/204027694.db2.gz DSXFWEWRTUHFOG-LLVKDONJSA-N -1 0 373.215 3.630 50 30 FHEARM Cc1ccc(NC([N-]C(=O)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000002311314 204033009 /nfs/dbraw/zinc/03/30/09/204033009.db2.gz BVHVRIWCTPDZJB-UHFFFAOYSA-N -1 0 368.199 3.906 50 30 FHEARM N#Cc1c(F)cccc1N=NC(C(=O)C(F)(F)F)=C([O-])c1cccs1 ZINC000004322829 204133323 /nfs/dbraw/zinc/13/33/23/204133323.db2.gz SSBJXQLZMIWWKB-UUYOSTAYSA-N -1 0 369.299 3.541 50 30 FHEARM O=C([O-])c1ccccc1/C=C1/S/C(=N\c2ccccc2Cl)NC1=O ZINC000005583220 204216779 /nfs/dbraw/zinc/21/67/79/204216779.db2.gz BCJSGPZBHHEFCH-NTEUORMPSA-N -1 0 358.806 3.930 50 30 FHEARM CC(=NNc1ccc(S(=O)(=O)[O-])cc1)c1cccc(Br)c1 ZINC000004955518 204179738 /nfs/dbraw/zinc/17/97/38/204179738.db2.gz MZNYTYILNTYYKL-MHWRWJLKSA-N -1 0 369.240 3.532 50 30 FHEARM CC(=O)/C(=N/Nc1ccc(F)cc1F)Sc1ccccc1C(=O)[O-] ZINC000005036246 204186931 /nfs/dbraw/zinc/18/69/31/204186931.db2.gz DBDOLMLROLFCHZ-HKWRFOASSA-N -1 0 350.346 3.770 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005671650 204220391 /nfs/dbraw/zinc/22/03/91/204220391.db2.gz ILNYCYOLKYXJEG-WOJGMQOQSA-N -1 0 369.406 3.797 50 30 FHEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(N(C)C)cc1 ZINC000005795199 204226223 /nfs/dbraw/zinc/22/62/23/204226223.db2.gz QHKWCQWGPVIWSS-XDHOZWIPSA-N -1 0 353.451 3.564 50 30 FHEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)cc1 ZINC000005900131 204230221 /nfs/dbraw/zinc/23/02/21/204230221.db2.gz QCHRNTIZOTVPKO-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)S2)cc1 ZINC000036129960 205006675 /nfs/dbraw/zinc/00/66/75/205006675.db2.gz NVTPYTQEKKSLCL-YBEGLDIGSA-N -1 0 369.402 3.754 50 30 FHEARM O=C([O-])C(C(=O)/C=C\c1ccc2c(c1)OCO2)=C1SCCCCS1 ZINC000006097181 206200926 /nfs/dbraw/zinc/20/09/26/206200926.db2.gz VGIQTUQZIRKCOT-HYXAFXHYSA-N -1 0 364.444 3.554 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 ZINC000101247312 206226587 /nfs/dbraw/zinc/22/65/87/206226587.db2.gz JSBWVMUJAILXKK-GHNGSUTGSA-N -1 0 351.377 3.742 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000101231691 206226746 /nfs/dbraw/zinc/22/67/46/206226746.db2.gz USSFDQLHRYNQHI-SELCWUDQSA-N -1 0 351.377 3.742 50 30 FHEARM CCCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000003016593 520329242 /nfs/dbraw/zinc/32/92/42/520329242.db2.gz WNCRDMBJGDAARZ-UHFFFAOYSA-N -1 0 365.371 3.724 50 30 FHEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)c1O ZINC000001478835 521316934 /nfs/dbraw/zinc/31/69/34/521316934.db2.gz ICLYUUYOTAUSLA-YBFXNURJSA-N -1 0 354.435 3.903 50 30 FHEARM CCOC(=O)c1scnc1/C=C/C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000328597919 521620326 /nfs/dbraw/zinc/62/03/26/521620326.db2.gz JIYGCHJYCGWRKV-VOTSOKGWSA-N -1 0 371.336 3.940 50 30 FHEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC000239174425 523370330 /nfs/dbraw/zinc/37/03/30/523370330.db2.gz QAGUHPZMIFAYBW-MRVWCRGKSA-N -1 0 360.479 3.964 50 30 FHEARM COc1cccc(/C=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000019945635 525774959 /nfs/dbraw/zinc/77/49/59/525774959.db2.gz QDRLOVSVFGFTEI-XDHOZWIPSA-N -1 0 373.459 3.703 50 30 FHEARM O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000095410285 527159841 /nfs/dbraw/zinc/15/98/41/527159841.db2.gz LAUTVXZAOLOVNG-UHFFFAOYSA-N -1 0 363.744 3.645 50 30 FHEARM O=C([O-])CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)COc1ccccc1 ZINC000027639098 527572420 /nfs/dbraw/zinc/57/24/20/527572420.db2.gz CARGFWOXPNIAKB-AVZZWIIXSA-N -1 0 370.445 3.555 50 30 in-vitro FHEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/NC(=S)NNc1ccccc1 ZINC000001045623 570476462 /nfs/dbraw/zinc/47/64/62/570476462.db2.gz XCNULKYYEOSVBM-CAOOACKPSA-N -1 0 355.250 3.524 50 30 FHEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCc1ccc(Cl)cc1 ZINC000096316591 570480415 /nfs/dbraw/zinc/48/04/15/570480415.db2.gz ZVLJGECRLJAWDS-RGVLZGJSSA-N -1 0 370.796 3.655 50 30 FHEARM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000100034208 570498402 /nfs/dbraw/zinc/49/84/02/570498402.db2.gz WNIYZRDLOGYCIO-UHFFFAOYSA-N -1 0 358.078 3.545 50 30 FHEARM C=CCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl ZINC000004680521 571159786 /nfs/dbraw/zinc/15/97/86/571159786.db2.gz BKRYHQSBXDMARZ-KPKJPENVSA-N -1 0 371.245 3.665 50 30 FHEARM Cc1oc2c(c1C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])CCCC2 ZINC000082138171 571229021 /nfs/dbraw/zinc/22/90/21/571229021.db2.gz VTJPKQGGFNETLG-KRWDZBQOSA-N -1 0 366.417 3.949 50 30 FHEARM O=[N+]([O-])c1ccc(N=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])cc1 ZINC000252638513 571291517 /nfs/dbraw/zinc/29/15/17/571291517.db2.gz YDKMEFRPSLHLIM-UHFFFAOYSA-N -1 0 366.127 3.722 50 30 FHEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000002421021 571321869 /nfs/dbraw/zinc/32/18/69/571321869.db2.gz BMYCFCDZTFJAHU-UHFFFAOYSA-N -1 0 368.462 3.645 50 30 FHEARM N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)c2)cc1 ZINC000263483385 600481509 /nfs/dbraw/zinc/48/15/09/600481509.db2.gz LQVNUMUYBYNOGX-OAHLLOKOSA-N -1 0 365.389 3.679 50 30 FHEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(C2CCCCC2)c1=O ZINC000003262748 204085942 /nfs/dbraw/zinc/08/59/42/204085942.db2.gz XVEILAUBSUQPNN-UHFFFAOYSA-N -1 0 356.809 3.815 50 30 FHEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n([C@@H](C)c3ccccc3)c2)c1 ZINC000003292130 204089178 /nfs/dbraw/zinc/08/91/78/204089178.db2.gz NSZNMFRBXOKLGO-HNNXBMFYSA-N -1 0 358.397 3.574 50 30 FHEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000004870812 204171359 /nfs/dbraw/zinc/17/13/59/204171359.db2.gz JEUXUOWDBVHTKH-MRXNPFEDSA-N -1 0 371.776 3.527 50 30 FHEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)c1OC ZINC000006055706 204235876 /nfs/dbraw/zinc/23/58/76/204235876.db2.gz UNLNKEPMLPXRFR-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM COc1ccc2[nH]c3c(nc([O-])n(/N=C/C(C)=C/c4ccccc4)c3=O)c2c1 ZINC000008738147 204342437 /nfs/dbraw/zinc/34/24/37/204342437.db2.gz BUHSHJXEEBIUNM-XJDJRJIPSA-N -1 0 374.400 3.529 50 30 FHEARM O=C([N-]S(=O)(=O)c1ccc(F)cc1F)c1cc(Cl)ccc1Cl ZINC000040129709 205058587 /nfs/dbraw/zinc/05/85/87/205058587.db2.gz ZPYIXACCCLXROF-UHFFFAOYSA-N -1 0 366.172 3.965 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000100005686 205935968 /nfs/dbraw/zinc/93/59/68/205935968.db2.gz REHATYIJSZJCCC-XDJHFCHBSA-N -1 0 357.211 3.640 50 30 FHEARM O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000049575565 206088235 /nfs/dbraw/zinc/08/82/35/206088235.db2.gz LBFWXGFWMIGKBR-HNQUOIGGSA-N -1 0 361.737 3.716 50 30 FHEARM Cc1c(S(=O)(=O)[N-]c2ccccc2C#N)cnn1-c1ccccc1Cl ZINC000152713271 206197033 /nfs/dbraw/zinc/19/70/33/206197033.db2.gz RXDZKLFKXBGZFO-UHFFFAOYSA-N -1 0 372.837 3.507 50 30 FHEARM CC(=O)OC[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@H](C(=O)[O-])[C@]3(C)CC[C@H]12 ZINC000254712723 519756637 /nfs/dbraw/zinc/75/66/37/519756637.db2.gz HOGUPSMVUUERKH-SFGIZBKVSA-N -1 0 374.477 3.762 50 30 FHEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)ccc1O ZINC000002238261 520645009 /nfs/dbraw/zinc/64/50/09/520645009.db2.gz QMGYSGGJWGSNLC-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC)c2)c1O ZINC000002233539 521317275 /nfs/dbraw/zinc/31/72/75/521317275.db2.gz OTADBLUDTDSKSD-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM COc1ccc(-c2csc(-n3[n-]c(C)c(C(=O)C=C(C)O)c3=O)n2)cc1 ZINC000100334472 523158605 /nfs/dbraw/zinc/15/86/05/523158605.db2.gz GNWPNKVKTDADOZ-NTMALXAHSA-N -1 0 371.418 3.663 50 30 FHEARM CCc1c(C([O-])=C(C#N)c2ccc(F)cn2)nnn1-c1cccc(Cl)c1 ZINC000225441354 523707246 /nfs/dbraw/zinc/70/72/46/523707246.db2.gz SUOGDPFPUUESSW-AWEZNQCLSA-N -1 0 369.787 3.507 50 30 FHEARM Cc1csc(C(C#N)=C([O-])c2cnn(Cc3ccccc3Cl)c2)n1 ZINC000041517606 526427636 /nfs/dbraw/zinc/42/76/36/526427636.db2.gz OXQZCGZMJWVRAZ-CQSZACIVSA-N -1 0 356.838 3.840 50 30 FHEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)[C@H]1C[C@@H]1C1CCCCC1 ZINC000076767190 527159776 /nfs/dbraw/zinc/15/97/76/527159776.db2.gz CFUKVMBZRXIBBF-NEPJUHHUSA-N -1 0 365.480 3.553 50 30 FHEARM COc1ccc2[nH]c(SC/C(=N\[O-])c3ccc(OC)c(OC)c3)nc2c1 ZINC000012285299 568032331 /nfs/dbraw/zinc/03/23/31/568032331.db2.gz RLXPBROZTZZFQA-RCCKNPSSSA-N -1 0 373.434 3.559 50 30 FHEARM NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)cc1Cl ZINC000005012160 570574920 /nfs/dbraw/zinc/57/49/20/570574920.db2.gz DHQREOGJOHBBIJ-UHFFFAOYSA-N -1 0 359.216 3.586 50 30 FHEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccc2ccccc2c1 ZINC000012403880 570742222 /nfs/dbraw/zinc/74/22/22/570742222.db2.gz KYFKHSNYAKYMIO-QOCHGBHMSA-N -1 0 373.372 3.939 50 30 FHEARM COc1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2ccc(C)cc2)cc1 ZINC000016790447 570862249 /nfs/dbraw/zinc/86/22/49/570862249.db2.gz FKHPVKFNVCUDFZ-HZHRSRAPSA-N -1 0 364.323 3.786 50 30 FHEARM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000048492967 570956217 /nfs/dbraw/zinc/95/62/17/570956217.db2.gz OBSABJQLHRCZIG-OAHLLOKOSA-N -1 0 363.435 3.543 50 30 FHEARM C=C[C@@](C)(CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481820 571053703 /nfs/dbraw/zinc/05/37/03/571053703.db2.gz UHCUTSMBIWACHX-NRFANRHFSA-N -1 0 351.402 3.945 50 30 FHEARM C=CCn1c(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]c1=S ZINC000000628795 571122999 /nfs/dbraw/zinc/12/29/99/571122999.db2.gz JSJSKWQUFVNPSJ-UHFFFAOYSA-N -1 0 360.460 3.991 50 30 FHEARM Cc1noc2c1[C@H](c1cc([N+](=O)[O-])ccc1[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000072332308 571123322 /nfs/dbraw/zinc/12/33/22/571123322.db2.gz YZHQJENTUMVBBD-INIZCTEOSA-N -1 0 369.377 3.797 50 30 FHEARM COc1cc(/C=C2/CSc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000096765601 571146677 /nfs/dbraw/zinc/14/66/77/571146677.db2.gz BMOOESHPEYURIW-WMZJFQQLSA-N -1 0 361.350 3.820 50 30 FHEARM COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc(OC)c1O ZINC000001261532 571179141 /nfs/dbraw/zinc/17/91/41/571179141.db2.gz KKQPACSTVTYRPJ-VCHYOVAHSA-N -1 0 362.455 3.593 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 ZINC000006654231 571239534 /nfs/dbraw/zinc/23/95/34/571239534.db2.gz LUAOTVHKSNPFGF-MFKMUULPSA-N -1 0 374.487 3.671 50 30 FHEARM N#Cc1c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)sc2c1CCCC2 ZINC000013254993 571323098 /nfs/dbraw/zinc/32/30/98/571323098.db2.gz USAVKBJXMFOQMQ-AWEZNQCLSA-N -1 0 354.431 3.696 50 30 FHEARM COc1cc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000098056360 941355836 /nfs/dbraw/zinc/35/58/36/941355836.db2.gz OFOWVQBYVSGVRH-KXFIGUGUSA-N -1 0 365.288 3.807 50 30 FHEARM CC(=O)[N-]S(=O)(=O)c1ccc(N=Cc2c(O)ccc3ccccc32)cc1 ZINC000001085375 219367083 /nfs/dbraw/zinc/36/70/83/219367083.db2.gz NXABUWDSNFAARK-UDWIEESQSA-N -1 0 368.414 3.961 50 30 FHEARM Cc1cc(C)c(C#N)c(Sc2ccc(NC(=O)CCC(=O)[O-])cc2)n1 ZINC000004661241 209427101 /nfs/dbraw/zinc/42/71/01/209427101.db2.gz QJZQPHWZGHUZPZ-UHFFFAOYSA-N -1 0 355.419 3.525 50 30 FHEARM COc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000100215353 209210644 /nfs/dbraw/zinc/21/06/44/209210644.db2.gz UIYVBFZCUPSHLN-NIPZQEADSA-N -1 0 368.414 3.627 50 30 FHEARM O=c1c(N=Nc2ccc(O)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000100005899 209207667 /nfs/dbraw/zinc/20/76/67/209207667.db2.gz XVXCJDGUTVNNMM-BSYVCWPDSA-N -1 0 356.385 3.611 50 30 FHEARM COc1cc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)ccc1O ZINC000096931043 209163092 /nfs/dbraw/zinc/16/30/92/209163092.db2.gz VZFBQZFUHTVVOH-ALCCZGGFSA-N -1 0 365.307 3.798 50 30 FHEARM COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)[O-] ZINC000004118826 207002087 /nfs/dbraw/zinc/00/20/87/207002087.db2.gz YXJNBYQTPANYQV-UFFVCSGVSA-N -1 0 370.430 3.721 50 30 FHEARM O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1 ZINC000004380732 207017115 /nfs/dbraw/zinc/01/71/15/207017115.db2.gz YDKMEFRPSLHLIM-VIZOYTHASA-N -1 0 366.127 3.722 50 30 FHEARM COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1C(=O)[O-] ZINC000004739297 207043303 /nfs/dbraw/zinc/04/33/03/207043303.db2.gz HAALREMORCDXAD-UHFFFAOYSA-N -1 0 368.385 3.521 50 30 FHEARM CC(C)c1onc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c1[N+](=O)[O-] ZINC000004937668 207064265 /nfs/dbraw/zinc/06/42/65/207064265.db2.gz ITCSRNZOPQDSIG-UHFFFAOYSA-N -1 0 360.395 3.770 50 30 FHEARM COc1ccc(C=NNc2cc(C)c3ccccc3n2)c(C(=O)[O-])c1OC ZINC000005516664 207103467 /nfs/dbraw/zinc/10/34/67/207103467.db2.gz PPJYRQRJJNHKPG-SRZZPIQSSA-N -1 0 365.389 3.705 50 30 FHEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(N(C)C)cc2)c1 ZINC000005809986 207118123 /nfs/dbraw/zinc/11/81/23/207118123.db2.gz ZYGIIWBZZTYVHG-XDHOZWIPSA-N -1 0 353.451 3.564 50 30 FHEARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000012462100 207380755 /nfs/dbraw/zinc/38/07/55/207380755.db2.gz LLEFWDPZWLSEBS-RGVLZGJSSA-N -1 0 366.377 3.862 50 30 FHEARM COc1ccc(C)cc1S(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000028249082 207957677 /nfs/dbraw/zinc/95/76/77/207957677.db2.gz BWZOVDIFVCJBPU-UHFFFAOYSA-N -1 0 362.476 3.616 50 30 FHEARM COc1cc([N+](=O)[O-])cc(C=NNc2ccc(Br)cc2)c1[O-] ZINC000036046210 208141994 /nfs/dbraw/zinc/14/19/94/208141994.db2.gz FCOCMUCTNZBWBH-LZYBPNLTSA-N -1 0 366.171 3.518 50 30 FHEARM COc1ccc(-c2nc(N(C)Cc3cccc(F)c3)[n-]c(=O)c2C#N)cc1 ZINC000040122661 208232334 /nfs/dbraw/zinc/23/23/34/208232334.db2.gz LVFMMAFDIMVSPR-UHFFFAOYSA-N -1 0 364.380 3.505 50 30 FHEARM CN(CCC#N)c1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000046053414 208356774 /nfs/dbraw/zinc/35/67/74/208356774.db2.gz ZJKNPEIPLUXZKJ-UHFFFAOYSA-N -1 0 357.797 3.640 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(OC)c2)c1 ZINC000001269651 521312468 /nfs/dbraw/zinc/31/24/68/521312468.db2.gz STRPJLLDEDNLMM-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)[O-])n2)cc1 ZINC000000796134 568241071 /nfs/dbraw/zinc/24/10/71/568241071.db2.gz KTUYVZBENAZQJR-UHFFFAOYSA-N -1 0 368.336 3.824 50 30 FHEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c1O ZINC000001243559 570496122 /nfs/dbraw/zinc/49/61/22/570496122.db2.gz DDURSZSLRSHXPX-YBFXNURJSA-N -1 0 354.435 3.903 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)cc2OC)cc1 ZINC000001254697 570496701 /nfs/dbraw/zinc/49/67/01/570496701.db2.gz PYSDDYAEUJQQIW-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2O)c1 ZINC000002522392 570524040 /nfs/dbraw/zinc/52/40/40/570524040.db2.gz ONTQTDRACWRJDS-VXLYETTFSA-N -1 0 370.434 3.688 50 30 FHEARM CC[C@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000079172754 570634820 /nfs/dbraw/zinc/63/48/20/570634820.db2.gz IZGLVYZLWYVFSX-AWEZNQCLSA-N -1 0 368.480 3.571 50 30 FHEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)cn2)c1[O-] ZINC000006221962 570643551 /nfs/dbraw/zinc/64/35/51/570643551.db2.gz QVSLXXSCVPFCRL-PJQLUOCWSA-N -1 0 356.563 3.862 50 30 FHEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc2ccccc21 ZINC000013574774 570779969 /nfs/dbraw/zinc/77/99/69/570779969.db2.gz FLJFITKNTAQLGA-QOCHGBHMSA-N -1 0 373.372 3.939 50 30 FHEARM O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccc(Cl)cc2)C1=O ZINC000020508898 570919217 /nfs/dbraw/zinc/91/92/17/570919217.db2.gz HMHRYCDVNOALJD-MEUCICPISA-N -1 0 374.849 3.946 50 30 FHEARM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc2c[nH]nc21 ZINC000048409151 570954542 /nfs/dbraw/zinc/95/45/42/570954542.db2.gz QIDUCRAQMVIGHZ-UHFFFAOYSA-N -1 0 370.217 3.563 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[n-]c1=S ZINC000012609387 571190959 /nfs/dbraw/zinc/19/09/59/571190959.db2.gz UVZLHRBNAGYPAU-UHFFFAOYSA-N -1 0 351.431 3.806 50 30 FHEARM N#Cc1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000013580069 571271284 /nfs/dbraw/zinc/27/12/84/571271284.db2.gz QEJQEUCGELQSKT-ZDUSSCGKSA-N -1 0 354.431 3.696 50 30 FHEARM N#Cc1c(F)c(F)c(C2=C([O-])OC3(CCCCC3)OC2=O)c(F)c1F ZINC000328578958 571323488 /nfs/dbraw/zinc/32/34/88/571323488.db2.gz BUEDXMQYJABNJS-UHFFFAOYSA-N -1 0 357.259 3.575 50 30 FHEARM CCCCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000021658753 571335428 /nfs/dbraw/zinc/33/54/28/571335428.db2.gz IXYRMKKRSKTSKQ-LBPRGKRZSA-N -1 0 357.435 3.545 50 30 FHEARM FC(F)c1n[n-]c(=S)n1N=Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000002790098 571340976 /nfs/dbraw/zinc/34/09/76/571340976.db2.gz JUNOHYUZYGIIOV-PTXOJBNSSA-N -1 0 370.278 3.623 50 30 FHEARM C=CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccc(F)cc2)C1=O ZINC000005034156 947900330 /nfs/dbraw/zinc/90/03/30/947900330.db2.gz HIHFTCFUXAHAGF-WJDWOHSUSA-N -1 0 372.783 3.505 50 30 FHEARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000000708327 219315024 /nfs/dbraw/zinc/31/50/24/219315024.db2.gz GNQRCMMRCGJTNZ-MEUCICPISA-N -1 0 374.849 3.946 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)O1 ZINC000105640068 209267583 /nfs/dbraw/zinc/26/75/83/209267583.db2.gz OFVYMERWRCFUDH-XOWYPZSQSA-N -1 0 356.761 3.828 50 30 FHEARM COc1cc(C(=O)/C=C\c2ccc(OC(C)C)cc2)ccc1OCC(=O)[O-] ZINC000097152204 209172252 /nfs/dbraw/zinc/17/22/52/209172252.db2.gz REBVKKOEAXEEJG-POHAHGRESA-N -1 0 370.401 3.842 50 30 FHEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000002194084 206742698 /nfs/dbraw/zinc/74/26/98/206742698.db2.gz MITCZGYCFAJPNP-UHFFFAOYSA-N -1 0 368.462 3.645 50 30 FHEARM N#Cc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000003323763 206968917 /nfs/dbraw/zinc/96/89/17/206968917.db2.gz AMMVKOMMBRXREQ-DHDCSXOGSA-N -1 0 366.423 3.662 50 30 FHEARM CCCC(CCC)=N/N=C1\S[C@@H](CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000004482174 207021747 /nfs/dbraw/zinc/02/17/47/207021747.db2.gz QRLXYCSVTFXCGI-ZJYNUGOYSA-N -1 0 361.467 3.922 50 30 FHEARM N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004646567 207033746 /nfs/dbraw/zinc/03/37/46/207033746.db2.gz BJRKVCNTDTWVOA-ZIAGYGMSSA-N -1 0 358.463 3.884 50 30 FHEARM CCCN1C(=O)C(C#N)=C(C)C(=NNc2ccc(Cl)c(C(=O)[O-])c2)C1=O ZINC000004681694 207038240 /nfs/dbraw/zinc/03/82/40/207038240.db2.gz YCFPNWPSVHXYNO-QZQOTICOSA-N -1 0 374.784 3.911 50 30 FHEARM CCc1ccc2nc3[n-]c([N-][NH+]=Cc4ccc(N(C)C)cc4)nnc-3c2c1 ZINC000005031304 207073835 /nfs/dbraw/zinc/07/38/35/207073835.db2.gz OLGIMKCETGPODF-CIAFOILYSA-N -1 0 359.437 3.581 50 30 FHEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3Cl)c2)c1 ZINC000005861959 207120137 /nfs/dbraw/zinc/12/01/37/207120137.db2.gz XNAMDQCASDLPSN-UHFFFAOYSA-N -1 0 364.788 3.608 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C)cc2)cc1OC ZINC000006009098 207124748 /nfs/dbraw/zinc/12/47/48/207124748.db2.gz DNLHMUNALKMXFB-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM COc1cc(C(=O)/C=C/c2ccc(SC)cc2)ccc1OCC(=O)[O-] ZINC000006433302 207140183 /nfs/dbraw/zinc/14/01/83/207140183.db2.gz DIHPRZWCCNAOAB-WEVVVXLNSA-N -1 0 358.415 3.777 50 30 FHEARM CCCCN1C(C(=O)c2ccccc2)=C([O-])c2ccccc2S1(=O)=O ZINC000020590548 207747594 /nfs/dbraw/zinc/74/75/94/207747594.db2.gz BFWSHPRQKJUAFA-UHFFFAOYSA-N -1 0 357.431 3.601 50 30 FHEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000091391205 534324139 /nfs/dbraw/zinc/32/41/39/534324139.db2.gz GOZUXQMYDOZXTL-OAQYLSRUSA-N -1 0 356.466 3.560 50 30 FHEARM CCOC(=O)N=c1[n-]nc(SCCOc2c(C)cccc2C)s1 ZINC000036397264 520390598 /nfs/dbraw/zinc/39/05/98/520390598.db2.gz HCYWFZFSEFWOOJ-UHFFFAOYSA-N -1 0 353.469 3.908 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2O)c1 ZINC000001273411 521312283 /nfs/dbraw/zinc/31/22/83/521312283.db2.gz ZTEUMSCMYFIWCG-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533798 525313500 /nfs/dbraw/zinc/31/35/00/525313500.db2.gz RLZYCYTZQGHRMD-RGRLZIOBSA-N -1 0 373.493 3.933 50 30 FHEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)c(OC)c2)c1 ZINC000005932606 525718907 /nfs/dbraw/zinc/71/89/07/525718907.db2.gz SFDJFLRGEOMINK-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)c(OC)c2)c1 ZINC000006007294 525775801 /nfs/dbraw/zinc/77/58/01/525775801.db2.gz QHWILNHNUPHAHL-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM O=C1c2cccc(Br)c2O/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000299738230 527126253 /nfs/dbraw/zinc/12/62/53/527126253.db2.gz LGEUVQROVHWADE-QPEQYQDCSA-N -1 0 362.135 3.679 50 30 FHEARM O=C([O-])CSc1ccc(C(=O)/C=C\c2cccc3c2OCCO3)cc1F ZINC000054802513 527621396 /nfs/dbraw/zinc/62/13/96/527621396.db2.gz ROWZXPROQMYOMN-XQRVVYSFSA-N -1 0 374.389 3.670 50 30 FHEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c(O)c1 ZINC000001242002 570496108 /nfs/dbraw/zinc/49/61/08/570496108.db2.gz PKFGLMQBRQQHGS-WOJGMQOQSA-N -1 0 357.439 3.635 50 30 FHEARM Oc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccco1 ZINC000001475874 570501331 /nfs/dbraw/zinc/50/13/31/570501331.db2.gz KYJFDVAARWOXGC-VIZOYTHASA-N -1 0 365.212 3.551 50 30 FHEARM COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)ccc1OC(C)=O ZINC000001478512 570501436 /nfs/dbraw/zinc/50/14/36/570501436.db2.gz QNLDZPSAJWBOTF-YBFXNURJSA-N -1 0 374.466 3.804 50 30 FHEARM N#Cc1c(N)nc(-c2cc(C(=O)[O-])n[nH]2)cc1-c1ccccc1-c1ccco1 ZINC000071767666 570512189 /nfs/dbraw/zinc/51/21/89/570512189.db2.gz MVCBQGZMSABSSM-UHFFFAOYSA-N -1 0 371.356 3.551 50 30 FHEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(C)cc3)no2)c1=O ZINC000101725289 570822871 /nfs/dbraw/zinc/82/28/71/570822871.db2.gz WHPPPCUPWNXJGM-UHFFFAOYSA-N -1 0 359.385 3.919 50 30 FHEARM C=CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000001249757 571044531 /nfs/dbraw/zinc/04/45/31/571044531.db2.gz CEUQVGNMZWHRAX-BOPFTXTBSA-N -1 0 367.380 3.721 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccccc2)no1 ZINC000013570592 571108366 /nfs/dbraw/zinc/10/83/66/571108366.db2.gz JINOZBDFMNSJNX-INIZCTEOSA-N -1 0 366.398 3.827 50 30 FHEARM COc1cccc(-c2c(C#N)c(=O)[n-]c3c2-c2ccc(OC)cc2CC3)c1 ZINC000013657919 571110108 /nfs/dbraw/zinc/11/01/08/571110108.db2.gz LLOYFPGCYDHGQN-UHFFFAOYSA-N -1 0 358.397 3.696 50 30 FHEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc(OC)c1O ZINC000001473672 571118771 /nfs/dbraw/zinc/11/87/71/571118771.db2.gz UOYMPNLJCIRAPF-VXLYETTFSA-N -1 0 370.434 3.521 50 30 FHEARM C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000013757725 571120250 /nfs/dbraw/zinc/12/02/50/571120250.db2.gz VJSVPNMTRZBNQN-YBEGLDIGSA-N -1 0 367.382 3.623 50 30 FHEARM C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)CCC(=O)[O-] ZINC000257356518 571163671 /nfs/dbraw/zinc/16/36/71/571163671.db2.gz IRQUJNVGEAJGSD-WBNICFMRSA-N -1 0 374.477 3.905 50 30 FHEARM Cc1ccc2c(c1)C(=N[O-])C(=O)N2CCOc1ccc(C(C)(C)C)cc1 ZINC000252458354 571278910 /nfs/dbraw/zinc/27/89/10/571278910.db2.gz BMZFOVGMSZZFDN-UHFFFAOYSA-N -1 0 352.434 3.896 50 30 FHEARM COc1cc([N+](=O)[O-])cc(C=NN=c2[nH]c3ccc(C)cc3s2)c1[O-] ZINC000080340414 571329039 /nfs/dbraw/zinc/32/90/39/571329039.db2.gz DPJRFZGKINPAOQ-IUXPMGMMSA-N -1 0 358.379 3.673 50 30 FHEARM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000095990246 571333516 /nfs/dbraw/zinc/33/35/16/571333516.db2.gz XKWWMHLKFJUUOF-UHFFFAOYSA-N -1 0 366.364 3.867 50 30 FHEARM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000058324871 571350625 /nfs/dbraw/zinc/35/06/25/571350625.db2.gz KTIQUYGROAWTCR-UHFFFAOYSA-N -1 0 374.838 3.552 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2[n-]c1=S ZINC000003630100 571351795 /nfs/dbraw/zinc/35/17/95/571351795.db2.gz SZXSUZJQOFDMDU-UHFFFAOYSA-N -1 0 365.458 3.517 50 30 FHEARM CC(C)=C1Oc2c(ccc([O-])c2CN2CCO[C@@H](c3ccccc3)C2)C1=O ZINC000218070893 571352289 /nfs/dbraw/zinc/35/22/89/571352289.db2.gz UGMHFFMCEMNSFA-LJQANCHMSA-N -1 0 365.429 3.835 50 30 FHEARM CC(C)(C)c1[n-]n(Cc2ccc(C(F)(F)F)nc2)c(=O)c1CCC#N ZINC000888092782 948384578 /nfs/dbraw/zinc/38/45/78/948384578.db2.gz PWPJCJSICAQLIT-UHFFFAOYSA-N -1 0 352.360 3.804 50 30 FHEARM N#Cc1ccccc1COc1ccc(/C=C/C(=O)[O-])cc1Br ZINC000004501693 209500367 /nfs/dbraw/zinc/50/03/67/209500367.db2.gz JVVQIHBFUNOEOZ-SOFGYWHQSA-N -1 0 358.191 3.998 50 30 FHEARM CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@H]2c2ccc(C(=O)[O-])cc2)C1 ZINC000102453372 209235950 /nfs/dbraw/zinc/23/59/50/209235950.db2.gz HISYTRKLYGQWAA-KRWDZBQOSA-N -1 0 362.389 3.761 50 30 FHEARM N#Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000101463838 209226150 /nfs/dbraw/zinc/22/61/50/209226150.db2.gz IGOFNCWSZSIRGA-NJNXFGOHSA-N -1 0 365.396 3.777 50 30 FHEARM COc1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1CSCC(=O)[O-] ZINC000096867699 209160213 /nfs/dbraw/zinc/16/02/13/209160213.db2.gz BOZNPSRXNUANPA-VURMDHGXSA-N -1 0 367.426 3.781 50 30 FHEARM CC(=NC(=N)Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1C(=O)[O-] ZINC000013623531 220079359 /nfs/dbraw/zinc/07/93/59/220079359.db2.gz MYOCWKJGARYFFI-WSDLNYQXSA-N -1 0 361.405 3.801 50 30 FHEARM Brc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000004199575 207008430 /nfs/dbraw/zinc/00/84/30/207008430.db2.gz MZLFNMMPGLCIBY-GIJQJNRQSA-N -1 0 367.210 3.715 50 30 FHEARM CC(C)(C)C(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000004558124 207028020 /nfs/dbraw/zinc/02/80/20/207028020.db2.gz PDZDPNXFQJHFGT-QGZVFWFLSA-N -1 0 373.449 3.642 50 30 FHEARM Cc1ccc2nc3[n-]c(NN=Cc4cc(Cl)ccc4O)nnc-3c2c1 ZINC000005009626 207071025 /nfs/dbraw/zinc/07/10/25/207071025.db2.gz ABNAILCTTKYZPK-UFWORHAWSA-N -1 0 352.785 3.620 50 30 FHEARM COc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000005527593 207104437 /nfs/dbraw/zinc/10/44/37/207104437.db2.gz MEPLQFZXHHENRW-FLFQWRMESA-N -1 0 370.412 3.914 50 30 FHEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/[C@@H]4[C@H](C)CC(C)=C[C@@H]4C)c3=O)c2c1 ZINC000008743545 207246108 /nfs/dbraw/zinc/24/61/08/207246108.db2.gz NCQAORGGTQHOSV-IDGDOMTQSA-N -1 0 364.449 3.964 50 30 FHEARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000012376497 207367516 /nfs/dbraw/zinc/36/75/16/207367516.db2.gz WNATZJUNQNGPRL-MEUCICPISA-N -1 0 374.849 3.946 50 30 FHEARM CCCOc1ccc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000096792546 520320076 /nfs/dbraw/zinc/32/00/76/520320076.db2.gz SLJCMWHUAFMQHZ-WMZJFQQLSA-N -1 0 370.401 3.844 50 30 FHEARM CCCc1ccc(S(=O)(=O)[N-]C(=O)CN(CC)c2ccccc2)cc1 ZINC000089960459 521405115 /nfs/dbraw/zinc/40/51/15/521405115.db2.gz JKUILBPJIPKAHU-UHFFFAOYSA-N -1 0 360.479 3.811 50 30 FHEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])sc2C1 ZINC000239128712 523370562 /nfs/dbraw/zinc/37/05/62/523370562.db2.gz KQWSFSCGHQOOKF-MRVWCRGKSA-N -1 0 358.463 3.740 50 30 FHEARM Cc1cc(-c2cc(-c3cc(CC(=O)[O-])cs3)nc(N)c2C#N)oc1C ZINC000071758969 570511999 /nfs/dbraw/zinc/51/19/99/570511999.db2.gz ZWOOXGZFVIIGTL-UHFFFAOYSA-N -1 0 353.403 3.768 50 30 FHEARM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000073300775 570597364 /nfs/dbraw/zinc/59/73/64/570597364.db2.gz CKAXEKOEWBEQFV-INIZCTEOSA-N -1 0 362.451 3.618 50 30 FHEARM CC(=O)[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1(C)C ZINC000158777218 570610481 /nfs/dbraw/zinc/61/04/81/570610481.db2.gz NGHDWQXHDHPJHL-OWCLPIDISA-N -1 0 350.418 3.619 50 30 FHEARM CC(=NCc1ccco1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000013739318 570788645 /nfs/dbraw/zinc/78/86/45/570788645.db2.gz VIZOFWYXVYFNTB-YBFXNURJSA-N -1 0 352.419 3.686 50 30 FHEARM O=C([O-])c1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1 ZINC000018199500 570814689 /nfs/dbraw/zinc/81/46/89/570814689.db2.gz VLIWCTLNVCKEDU-IBGZPJMESA-N -1 0 363.369 3.678 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2oc3ccccc3c2C)n1 ZINC000007977611 570822174 /nfs/dbraw/zinc/82/21/74/570822174.db2.gz LGZLPVNSIRALNI-CYBMUJFWSA-N -1 0 354.387 3.539 50 30 FHEARM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000102144650 570827712 /nfs/dbraw/zinc/82/77/12/570827712.db2.gz VIYPKSNZEJFFLQ-OAHLLOKOSA-N -1 0 366.442 3.689 50 30 FHEARM C=CCOc1ccc(-c2nc(O)c3c4ccccc4c(=O)n(CC)n23)cc1 ZINC000102431913 570832329 /nfs/dbraw/zinc/83/23/29/570832329.db2.gz DXOQCNHBJQUKFC-UHFFFAOYSA-N -1 0 361.401 3.607 50 30 FHEARM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000048418339 570954428 /nfs/dbraw/zinc/95/44/28/570954428.db2.gz NFXTUBFHXNVYJW-UHFFFAOYSA-N -1 0 358.872 3.751 50 30 FHEARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000048472657 570955563 /nfs/dbraw/zinc/95/55/63/570955563.db2.gz YBMCFQYAJKHOMT-CYBMUJFWSA-N -1 0 363.460 3.715 50 30 FHEARM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000048496516 570956538 /nfs/dbraw/zinc/95/65/38/570956538.db2.gz NWAXJGCATMQHBM-UHFFFAOYSA-N -1 0 358.872 3.751 50 30 FHEARM CCc1ncncc1C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000048613543 570958063 /nfs/dbraw/zinc/95/80/63/570958063.db2.gz AXOMBFLYLLDUFW-UHFFFAOYSA-N -1 0 373.478 3.780 50 30 FHEARM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCC1 ZINC000048536967 571080300 /nfs/dbraw/zinc/08/03/00/571080300.db2.gz BMHCHQYXBWDLBQ-UHFFFAOYSA-N -1 0 374.418 3.503 50 30 FHEARM C=CCOC(=O)N=c1[n-]nc(Sc2ccc(C(F)(F)F)cn2)s1 ZINC000008716940 571112337 /nfs/dbraw/zinc/11/23/37/571112337.db2.gz BVNSKVCUHYRGNI-UHFFFAOYSA-N -1 0 362.358 3.838 50 30 FHEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000021524185 571142439 /nfs/dbraw/zinc/14/24/39/571142439.db2.gz JDZOEZXFHYFKMD-UHFFFAOYSA-N -1 0 350.450 3.785 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3O)cc2[n-]c1=S ZINC000012607207 571190661 /nfs/dbraw/zinc/19/06/61/571190661.db2.gz NYYALXZGLHZBLW-UHFFFAOYSA-N -1 0 367.430 3.511 50 30 FHEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCCC[C@@H]1CCc1cccs1 ZINC000077522940 571214654 /nfs/dbraw/zinc/21/46/54/571214654.db2.gz BTOUGDXXYOCMGP-OAHLLOKOSA-N -1 0 355.463 3.656 50 30 FHEARM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(F)ccnc2Cl)ccc1C ZINC000328595751 571323719 /nfs/dbraw/zinc/32/37/19/571323719.db2.gz DIFXOCOGTLGGOI-UHFFFAOYSA-N -1 0 357.794 3.591 50 30 FHEARM O=[N+]([O-])c1cc(C=NNC(=Nc2ccccc2)c2ccccn2)ccc1[O-] ZINC000003113499 571344834 /nfs/dbraw/zinc/34/48/34/571344834.db2.gz ILROTARHCKNAKB-FYJGNVAPSA-N -1 0 361.361 3.588 50 30 FHEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n([C@H](C)c3ccccc3)c2)c1 ZINC000003292132 571346829 /nfs/dbraw/zinc/34/68/29/571346829.db2.gz NSZNMFRBXOKLGO-OAHLLOKOSA-N -1 0 358.397 3.574 50 30 FHEARM CC(C)=C1Oc2c(ccc([O-])c2CN2CCO[C@H](c3ccccc3)C2)C1=O ZINC000218070815 571352280 /nfs/dbraw/zinc/35/22/80/571352280.db2.gz UGMHFFMCEMNSFA-IBGZPJMESA-N -1 0 365.429 3.835 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2[n-]c1=S ZINC000004192303 571356632 /nfs/dbraw/zinc/35/66/32/571356632.db2.gz NLGDTSWCMFEWJZ-XJKCOSOUSA-N -1 0 371.506 3.800 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3F)s2)C(=O)O1 ZINC000104572430 946278489 /nfs/dbraw/zinc/27/84/89/946278489.db2.gz QOFFQFORTBLQEZ-XOWYPZSQSA-N -1 0 356.374 3.782 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(C)cc2)no1 ZINC000102804689 209242615 /nfs/dbraw/zinc/24/26/15/209242615.db2.gz XTAONSKGADBKPX-GROYHEBESA-N -1 0 364.357 3.511 50 30 FHEARM N#Cc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000101464273 209226671 /nfs/dbraw/zinc/22/66/71/209226671.db2.gz UHRUIGULKBKQOC-NJNXFGOHSA-N -1 0 365.396 3.777 50 30 FHEARM COc1ccc(C([O-])=C(C=O)N=Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000100338288 209213517 /nfs/dbraw/zinc/21/35/17/209213517.db2.gz DLSRPJKOYNVQAZ-JCMHNJIXSA-N -1 0 350.296 3.564 50 30 FHEARM COc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)ccc1O ZINC000100288907 209212201 /nfs/dbraw/zinc/21/22/01/209212201.db2.gz UOSWKGRDGWNSQT-LZYBPNLTSA-N -1 0 351.156 3.822 50 30 FHEARM Cn1c2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2nc1CO ZINC000004551188 207027824 /nfs/dbraw/zinc/02/78/24/207027824.db2.gz OKHBGVIRDGWRGG-FBCYGCLPSA-N -1 0 350.205 3.829 50 30 FHEARM COc1cc(-c2n[n-]c(=S)n2N=Cc2ccccc2)cc(OC)c1OC ZINC000005357470 207095807 /nfs/dbraw/zinc/09/58/07/207095807.db2.gz UAHNHGAQGUAMOS-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC)c2)cc1 ZINC000005900127 207122410 /nfs/dbraw/zinc/12/24/10/207122410.db2.gz YXCXNXOFGGWYNK-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM COc1ccc(-c2nc(NCc3ccc(C)c(F)c3)[n-]c(=O)c2C#N)cc1 ZINC000040130025 208233978 /nfs/dbraw/zinc/23/39/78/208233978.db2.gz BMOJTRPKLHONLV-UHFFFAOYSA-N -1 0 364.380 3.789 50 30 FHEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533795 525314580 /nfs/dbraw/zinc/31/45/80/525314580.db2.gz RLZYCYTZQGHRMD-IZSQZSJDSA-N -1 0 373.493 3.933 50 30 FHEARM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000849545 568708982 /nfs/dbraw/zinc/70/89/82/568708982.db2.gz ZOXFXPZJXICCBF-RBUKOAKNSA-N -1 0 362.385 3.956 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2F)cc1OC ZINC000001475962 570501321 /nfs/dbraw/zinc/50/13/21/570501321.db2.gz AOMCKOZJWJXHDD-VXLYETTFSA-N -1 0 358.398 3.646 50 30 FHEARM COc1cccc(C(=O)C=C(O)C(=O)C=C([O-])c2cccc(OC)c2)c1 ZINC000101081694 570806060 /nfs/dbraw/zinc/80/60/60/570806060.db2.gz IKVZCMWXBWQGIN-AYKLPDECSA-N -1 0 354.358 3.653 50 30 FHEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/[C@@H]4[C@@H](C)C=C(C)C[C@@H]4C)c3=O)c2c1 ZINC000008743548 571059048 /nfs/dbraw/zinc/05/90/48/571059048.db2.gz NCQAORGGTQHOSV-DGBKGYIMSA-N -1 0 364.449 3.964 50 30 FHEARM C=C(C)CSc1n[n-]c2nc3c(c(=O)n21)[C@](C)(CC)Cc1ccccc1-3 ZINC000101156949 571102226 /nfs/dbraw/zinc/10/22/26/571102226.db2.gz QTUYFNVQSQNNRQ-HXUWFJFHSA-N -1 0 366.490 3.977 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2[n-]c1=S ZINC000012609157 571190654 /nfs/dbraw/zinc/19/06/54/571190654.db2.gz KLUOEAJKQKUZFK-UHFFFAOYSA-N -1 0 367.430 3.506 50 30 FHEARM COc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000252461420 571279022 /nfs/dbraw/zinc/27/90/22/571279022.db2.gz MEPLQFZXHHENRW-UHFFFAOYSA-N -1 0 370.412 3.914 50 30 FHEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000254395767 571323444 /nfs/dbraw/zinc/32/34/44/571323444.db2.gz WFCOVAHJMPFINB-UHFFFAOYSA-N -1 0 352.419 3.585 50 30 FHEARM O=c1[n-]c(NN=Cc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000004158765 571356243 /nfs/dbraw/zinc/35/62/43/571356243.db2.gz QQPOPYVTSLVVNO-DJKKODMXSA-N -1 0 360.204 3.585 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000136120768 941419174 /nfs/dbraw/zinc/41/91/74/941419174.db2.gz KADXIEVUTMPVRW-LJQANCHMSA-N -1 0 362.820 3.923 50 30 FHEARM N#CCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000170624750 209375283 /nfs/dbraw/zinc/37/52/83/209375283.db2.gz UCTQHDLERVGYDN-UHFFFAOYSA-N -1 0 367.792 3.526 50 30 FHEARM Cc1cc(C)cc(C(=O)C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CS3)c1 ZINC000103691789 209255248 /nfs/dbraw/zinc/25/52/48/209255248.db2.gz UDTXZRMPOQNGID-OAHLLOKOSA-N -1 0 364.426 3.553 50 30 FHEARM O=C1/C(=N\[O-])c2cc([N+](=O)[O-])ccc2N1Cc1ccc(Cl)cc1Cl ZINC000100324199 209212603 /nfs/dbraw/zinc/21/26/03/209212603.db2.gz BKUZHIPLKWHDDM-JXAWBTAJSA-N -1 0 366.160 3.627 50 30 FHEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000096610934 209156455 /nfs/dbraw/zinc/15/64/55/209156455.db2.gz AYNCUGFMUYCSDX-CAPFRKAQSA-N -1 0 371.784 3.747 50 30 FHEARM O=C([O-])c1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc1 ZINC000002908451 206945246 /nfs/dbraw/zinc/94/52/46/206945246.db2.gz MNQYLWQWAPUXHF-ZROIWOOFSA-N -1 0 358.806 3.930 50 30 FHEARM COc1ccc(/C=C\C(=O)c2c([O-])ccc3c(C)cc(=O)oc32)cc1OC ZINC000004648789 207033886 /nfs/dbraw/zinc/03/38/86/207033886.db2.gz UJNOJIPDRNVLCM-DAXSKMNVSA-N -1 0 366.369 3.720 50 30 FHEARM COc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)c1 ZINC000004698831 207038845 /nfs/dbraw/zinc/03/88/45/207038845.db2.gz LSRUQVGRJLFMPW-IXMFVRRYSA-N -1 0 368.414 3.627 50 30 FHEARM O=c1[n-]c(NN=Cc2c(Cl)cccc2Cl)nnc1-c1ccccc1 ZINC000004813123 207051868 /nfs/dbraw/zinc/05/18/68/207051868.db2.gz ALAICRABIBNBPB-OCKHKDLRSA-N -1 0 360.204 3.585 50 30 FHEARM Cc1c(C=NNc2nnc3c4ccccc4nc-3[n-]2)c2ccccc2n1C ZINC000005360975 207096226 /nfs/dbraw/zinc/09/62/26/207096226.db2.gz PFMLAYHTWXTMMA-SRZZPIQSSA-N -1 0 355.405 3.752 50 30 FHEARM Cc1oc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c(C#N)c1C ZINC000005577238 207107951 /nfs/dbraw/zinc/10/79/51/207107951.db2.gz CIEBWJDSDMPWBC-UBKPWBPPSA-N -1 0 364.155 3.895 50 30 FHEARM N#Cc1ccc(/C=C2\CCCCn3c(=O)c4ccc(C(=O)[O-])cc4nc32)cc1 ZINC000007653260 207201059 /nfs/dbraw/zinc/20/10/59/207201059.db2.gz AMWDNPSQNKMLBJ-LFIBNONCSA-N -1 0 371.396 3.691 50 30 FHEARM N#Cc1c(=O)[n-]c(SCC(=O)c2cccs2)nc1-c1ccccc1 ZINC000031773590 208017768 /nfs/dbraw/zinc/01/77/68/208017768.db2.gz WPUWTVBDBPZYDE-UHFFFAOYSA-N -1 0 353.428 3.757 50 30 FHEARM CCOC(=O)C=C([O-])c1sc(SCc2ccccc2)c(C#N)c1N ZINC000036365806 208159748 /nfs/dbraw/zinc/15/97/48/208159748.db2.gz DSBZMBCLDZSEER-UHFFFAOYSA-N -1 0 360.460 3.630 50 30 FHEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2cccc(Cl)c2)s1 ZINC000032891710 520389417 /nfs/dbraw/zinc/38/94/17/520389417.db2.gz AFRIWMGAYUTYOE-UHFFFAOYSA-N -1 0 372.859 3.504 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2OC)c1 ZINC000005900816 521312778 /nfs/dbraw/zinc/31/27/78/521312778.db2.gz UFBKZNGGIKFNCR-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000252695109 525348906 /nfs/dbraw/zinc/34/89/06/525348906.db2.gz VDYLVWGBLQNNAW-MGMKKJNBSA-N -1 0 361.482 3.767 50 30 FHEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)[C@@H]1C[C@H]1C1CCCCC1 ZINC000076767192 527159307 /nfs/dbraw/zinc/15/93/07/527159307.db2.gz CFUKVMBZRXIBBF-NWDGAFQWSA-N -1 0 365.480 3.553 50 30 FHEARM N#CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000020628859 568014253 /nfs/dbraw/zinc/01/42/53/568014253.db2.gz ITOFEGJZMMMCRK-UHFFFAOYSA-N -1 0 363.247 3.758 50 30 FHEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(OC)c1OC ZINC000001473758 570501401 /nfs/dbraw/zinc/50/14/01/570501401.db2.gz PRHSDRCFESSFSM-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM N#CC1=C([O-])NC(Nc2ccc(Cl)cc2Cl)=NC12CCCCC2 ZINC000017879177 570766732 /nfs/dbraw/zinc/76/67/32/570766732.db2.gz MGFOGNJERBIHMH-LLVKDONJSA-N -1 0 351.237 3.734 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccs2)no1 ZINC000016742376 570861374 /nfs/dbraw/zinc/86/13/74/570861374.db2.gz NWRFJHZAFTUDKO-AWEZNQCLSA-N -1 0 372.427 3.889 50 30 FHEARM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)C1(C)C ZINC000071808807 571126142 /nfs/dbraw/zinc/12/61/42/571126142.db2.gz HNLRTLJMQIIPHU-MFKMUULPSA-N -1 0 365.480 3.575 50 30 FHEARM C=CCn1c(-c2ccccc2)csc1=Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000254307612 571137182 /nfs/dbraw/zinc/13/71/82/571137182.db2.gz LULYBIHFXKWWBQ-UHFFFAOYSA-N -1 0 372.471 3.882 50 30 FHEARM C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000061963751 571137644 /nfs/dbraw/zinc/13/76/44/571137644.db2.gz ABIJCMVYPICPRH-UAFUQJIBSA-N -1 0 366.442 3.745 50 30 FHEARM C/C(=N/N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(C2CCCCC2)cc1 ZINC000006157882 571138428 /nfs/dbraw/zinc/13/84/28/571138428.db2.gz KYQDZXGCFSPFJL-IXGURIBZSA-N -1 0 373.478 3.521 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)NCC3CCCCC3)cc2[n-]c1=S ZINC000006510893 571206399 /nfs/dbraw/zinc/20/63/99/571206399.db2.gz MOEVUTBQDSUABA-UHFFFAOYSA-N -1 0 357.479 3.555 50 30 FHEARM Cc1oc2c(c1C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])CCCC2 ZINC000082138172 571229140 /nfs/dbraw/zinc/22/91/40/571229140.db2.gz VTJPKQGGFNETLG-QGZVFWFLSA-N -1 0 366.417 3.949 50 30 FHEARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)s2)c1C ZINC000065031318 571250909 /nfs/dbraw/zinc/25/09/09/571250909.db2.gz XHWVHSZCXXBYTH-UHFFFAOYSA-N -1 0 359.432 3.692 50 30 FHEARM C#CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O ZINC000002263687 571293978 /nfs/dbraw/zinc/29/39/78/571293978.db2.gz HQJOAVHLFQGPKP-MHWRWJLKSA-N -1 0 367.382 3.623 50 30 FHEARM CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000079094521 571326924 /nfs/dbraw/zinc/32/69/24/571326924.db2.gz OCGIQFOROMNMHM-UHFFFAOYSA-N -1 0 354.428 3.598 50 30 FHEARM O=[N+]([O-])c1ccc([O-])c(C=NNC(=Nc2ccccc2)c2ccccn2)c1 ZINC000003113528 571344819 /nfs/dbraw/zinc/34/48/19/571344819.db2.gz CENUMSIJNZKJNT-FYJGNVAPSA-N -1 0 361.361 3.588 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)O1 ZINC000023718310 930109822 /nfs/dbraw/zinc/10/98/22/930109822.db2.gz OFVYMERWRCFUDH-JHTBKMLMSA-N -1 0 356.761 3.828 50 30 FHEARM C/C(=N\[O-])c1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C ZINC000001048636 219358569 /nfs/dbraw/zinc/35/85/69/219358569.db2.gz UQPGMUIRIKLNKP-AERZKKPOSA-N -1 0 352.238 3.812 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccccc2)no1 ZINC000102804967 209241881 /nfs/dbraw/zinc/24/18/81/209241881.db2.gz WOBQVFUSKVFRSL-UYTDBDHRSA-N -1 0 366.398 3.671 50 30 FHEARM CCCCCCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000098001701 209202012 /nfs/dbraw/zinc/20/20/12/209202012.db2.gz YZKOGCZZYPDGLI-UHFFFAOYSA-N -1 0 372.465 3.956 50 30 FHEARM C=C(C)CSc1n[n-]c2nc3c(c(=O)n21)[C@@](C)(CC)Cc1ccccc1-3 ZINC000101156951 206705271 /nfs/dbraw/zinc/70/52/71/206705271.db2.gz QTUYFNVQSQNNRQ-FQEVSTJZSA-N -1 0 366.490 3.977 50 30 FHEARM O=C([O-])CCC(=O)Nc1ccccc1C#Cc1ccc(Br)cc1 ZINC000000705364 206740700 /nfs/dbraw/zinc/74/07/00/206740700.db2.gz GPTPRSLECCEYTN-UHFFFAOYSA-N -1 0 372.218 3.652 50 30 biogenic FHEARM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000000849546 206838326 /nfs/dbraw/zinc/83/83/26/206838326.db2.gz ZOXFXPZJXICCBF-RTBURBONSA-N -1 0 362.385 3.956 50 30 FHEARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000860682 206840689 /nfs/dbraw/zinc/84/06/89/206840689.db2.gz BKLHJVMXWGMLIG-UHFFFAOYSA-N -1 0 360.435 3.630 50 30 FHEARM [O-]c1c(Cl)cc(/C=N/NC(=S)NCc2ccccc2)cc1Cl ZINC000004680494 207038188 /nfs/dbraw/zinc/03/81/88/207038188.db2.gz XSTPKSHKFFMJCN-DJKKODMXSA-N -1 0 354.262 3.697 50 30 FHEARM C/C(=N\[O-])c1cc2cc(Br)cc(Br)c2oc1=O ZINC000004592860 207030269 /nfs/dbraw/zinc/03/02/69/207030269.db2.gz DQDYBUIXPXXNMQ-LHHJGKSTSA-N -1 0 360.989 3.516 50 30 FHEARM CC(C)(C)c1cc(NC2=CC(=O)CCC2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000009592640 207278729 /nfs/dbraw/zinc/27/87/29/207278729.db2.gz FJICGUHUTBLVEP-UHFFFAOYSA-N -1 0 353.422 3.917 50 30 FHEARM C[C@@](CC(=O)Nc1sc2c(c1C#N)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000013254989 207454737 /nfs/dbraw/zinc/45/47/37/207454737.db2.gz LZBYSIUXXZQCIL-FQEVSTJZSA-N -1 0 368.458 3.870 50 30 FHEARM COc1cc(/C=C2\CSc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000038315763 208201511 /nfs/dbraw/zinc/20/15/11/208201511.db2.gz BMOOESHPEYURIW-ONNFQVAWSA-N -1 0 361.350 3.820 50 30 FHEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071765263 518192839 /nfs/dbraw/zinc/19/28/39/518192839.db2.gz BRPVVJHQHZABAO-MRXNPFEDSA-N -1 0 367.424 3.591 50 30 FHEARM C=CCN(Cc1cccs1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000058434283 518789691 /nfs/dbraw/zinc/78/96/91/518789691.db2.gz PRNPIVIFRVVWOV-UHFFFAOYSA-N -1 0 357.460 3.888 50 30 FHEARM C=CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1cccnc1 ZINC000016755572 519238604 /nfs/dbraw/zinc/23/86/04/519238604.db2.gz PTVQDSUGVFVFLU-UHFFFAOYSA-N -1 0 352.419 3.517 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc(C)c(C)c2)n1 ZINC000009442952 526426269 /nfs/dbraw/zinc/42/62/69/526426269.db2.gz JGQSSDHVKBQVLZ-OAHLLOKOSA-N -1 0 374.487 3.580 50 30 FHEARM Cc1occc1C(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2)nc1 ZINC000104095905 526814824 /nfs/dbraw/zinc/81/48/24/526814824.db2.gz MMSWGCJKOINZGC-SFHVURJKSA-N -1 0 360.369 3.767 50 30 FHEARM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041559783 526927298 /nfs/dbraw/zinc/92/72/98/526927298.db2.gz SGAGUKMASHOXFD-INIZCTEOSA-N -1 0 362.458 3.939 50 30 FHEARM O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1cc(O)c([O-])c([N+](=O)[O-])c1 ZINC000299738148 527119907 /nfs/dbraw/zinc/11/99/07/527119907.db2.gz BSYBLDQLDFKAAN-WZUFQYTHSA-N -1 0 368.128 3.929 50 30 FHEARM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c(F)c(F)c(F)c(F)c1F ZINC000013739094 570788545 /nfs/dbraw/zinc/78/85/45/570788545.db2.gz XENAOAOXLJDCAC-SSDOTTSWSA-N -1 0 365.261 3.759 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000101247405 570817462 /nfs/dbraw/zinc/81/74/62/570817462.db2.gz XKKYMAJJHDZDJO-GROYHEBESA-N -1 0 353.805 3.948 50 30 FHEARM O=c1oc2ccccc2c([O-])c1C=Nc1nc(-c2cccs2)cs1 ZINC000044827543 570899973 /nfs/dbraw/zinc/89/99/73/570899973.db2.gz FEFGADKCYPFBEG-FLIBITNWSA-N -1 0 354.412 3.969 50 30 FHEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCc2cccc(Cl)c2)c1 ZINC000048560612 570957027 /nfs/dbraw/zinc/95/70/27/570957027.db2.gz TUGGEFMAMTUQPB-UHFFFAOYSA-N -1 0 365.838 3.821 50 30 FHEARM C=CCc1cccc(C=Nn2c(-c3cccc(OC)c3)n[n-]c2=S)c1O ZINC000001478945 571120321 /nfs/dbraw/zinc/12/03/21/571120321.db2.gz PDXYFVDQYCODAM-UDWIEESQSA-N -1 0 366.446 3.933 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[n-]c1=S ZINC000010323465 571125150 /nfs/dbraw/zinc/12/51/50/571125150.db2.gz DAQNOKZAADKSHA-UHFFFAOYSA-N -1 0 373.384 3.776 50 30 FHEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OCC)cc2)c1=O ZINC000100502030 571150098 /nfs/dbraw/zinc/15/00/98/571150098.db2.gz XDKFWESOGCMDOS-UHFFFAOYSA-N -1 0 364.401 3.544 50 30 FHEARM O=C(/C=C/c1cc(Br)cc2c1OCOC2)c1ccccc1[O-] ZINC000004023915 571204135 /nfs/dbraw/zinc/20/41/35/571204135.db2.gz UACZZKPQYCPEBV-AATRIKPKSA-N -1 0 361.191 3.917 50 30 biogenic FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 ZINC000006654230 571239555 /nfs/dbraw/zinc/23/95/55/571239555.db2.gz LUAOTVHKSNPFGF-GXFFZTMASA-N -1 0 374.487 3.671 50 30 FHEARM O=c1c(N=Nc2ccc(O)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000252462970 571279201 /nfs/dbraw/zinc/27/92/01/571279201.db2.gz XVXCJDGUTVNNMM-UHFFFAOYSA-N -1 0 356.385 3.611 50 30 FHEARM N#CC(=C([O-])C(=O)Nc1nc([N+](=O)[O-])cs1)c1cccc2ccccc21 ZINC000048547993 571308888 /nfs/dbraw/zinc/30/88/88/571308888.db2.gz LMDSOWSCVXQKAH-ZDUSSCGKSA-N -1 0 366.358 3.669 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)O1 ZINC000023718313 930109993 /nfs/dbraw/zinc/10/99/93/930109993.db2.gz OFVYMERWRCFUDH-IWHGQQBYSA-N -1 0 356.761 3.828 50 30 FHEARM CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000097466810 209890312 /nfs/dbraw/zinc/89/03/12/209890312.db2.gz GPLCMLXYYMNWKL-NIPZQEADSA-N -1 0 368.414 3.714 50 30 FHEARM O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102543316 209237716 /nfs/dbraw/zinc/23/77/16/209237716.db2.gz WUXMDTAQSWQOMK-WOOAAIBNSA-N -1 0 359.381 3.902 50 30 FHEARM O=CC(N=Nc1ccc(Cl)cc1)=C([O-])c1ccc(Br)cc1 ZINC000100401529 209213799 /nfs/dbraw/zinc/21/37/99/209213799.db2.gz MUIVZQOWWTWYIR-XMHGGMMESA-N -1 0 365.614 3.952 50 30 FHEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccc2ccccc2c1 ZINC000100005596 209208013 /nfs/dbraw/zinc/20/80/13/209208013.db2.gz KYFKHSNYAKYMIO-ZBJSNUHESA-N -1 0 373.372 3.939 50 30 FHEARM Cc1ccc(C(=O)C=C(NNc2nc(C(=O)[O-])cs2)C(F)(F)F)cc1 ZINC000004478114 206689444 /nfs/dbraw/zinc/68/94/44/206689444.db2.gz ZCONXBGUWCIJIT-NDENLUEZSA-N -1 0 371.340 3.753 50 30 FHEARM COc1cccc(-c2cc(-c3ccc(F)cc3)[n-]c(=O)c2C#N)c1OC ZINC000004337443 207015000 /nfs/dbraw/zinc/01/50/00/207015000.db2.gz OZMJYHHIBXJGET-UHFFFAOYSA-N -1 0 350.349 3.737 50 30 FHEARM O=[N+]([O-])c1ccc(N=NCc2cc(Cl)cc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC000004344501 207015532 /nfs/dbraw/zinc/01/55/32/207015532.db2.gz VTUDBXVAACAAKF-OMCISZLKSA-N -1 0 371.136 3.961 50 30 FHEARM N#Cc1cccc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c1 ZINC000004920626 207062815 /nfs/dbraw/zinc/06/28/15/207062815.db2.gz SDTUAAYUSZEMRZ-UHFFFAOYSA-N -1 0 353.765 3.572 50 30 FHEARM O=[N+]([O-])c1cc2oc3c(c2c(/C=N/Cc2ccncc2)c1[O-])CCCC3 ZINC000013119773 207451455 /nfs/dbraw/zinc/45/14/55/207451455.db2.gz NARWFDHOCNXDML-SRZZPIQSSA-N -1 0 351.362 3.940 50 30 FHEARM CSc1[n-]c(=O)c(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1C#N ZINC000030134166 208000333 /nfs/dbraw/zinc/00/03/33/208000333.db2.gz DWCDGWBHQIEEOH-UHFFFAOYSA-N -1 0 371.506 3.669 50 30 FHEARM CC(C)(C)c1ccc(OCCCN2c3ccccc3/C(=N/[O-])C2=O)cc1 ZINC000039853902 519039928 /nfs/dbraw/zinc/03/99/28/519039928.db2.gz AZFZDVXMIQYSNN-QOCHGBHMSA-N -1 0 352.434 3.978 50 30 FHEARM CCCCCCCN=Nc1nnc(Cc2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000038140870 519946380 /nfs/dbraw/zinc/94/63/80/519946380.db2.gz RDPQHTPOJFCVIK-RGVLZGJSSA-N -1 0 373.457 3.553 50 30 FHEARM CCOC(=O)NC([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F ZINC000001644567 570503701 /nfs/dbraw/zinc/50/37/01/570503701.db2.gz QQISRKQTAKOLBO-UHFFFAOYSA-N -1 0 366.208 3.944 50 30 FHEARM CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(O)c2)c1 ZINC000002422252 570521089 /nfs/dbraw/zinc/52/10/89/570521089.db2.gz DHXGLBHGNIWKPY-VXLYETTFSA-N -1 0 370.434 3.688 50 30 FHEARM COc1ccc(Br)c(C=Nc2ccc(C(=O)[O-])cc2C)c1O ZINC000252632024 570624535 /nfs/dbraw/zinc/62/45/35/570624535.db2.gz VOPJRUZJXFEFJZ-UHFFFAOYSA-N -1 0 364.195 3.921 50 30 FHEARM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000018209212 570876715 /nfs/dbraw/zinc/87/67/15/570876715.db2.gz NHSVFSCYJZNTRM-VYXQJKENSA-N -1 0 355.781 3.779 50 30 FHEARM C=C(C)CN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040144840 571084903 /nfs/dbraw/zinc/08/49/03/571084903.db2.gz OGAIPDUDPGSZQE-UHFFFAOYSA-N -1 0 364.492 3.587 50 30 FHEARM C=CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccncc1 ZINC000013238791 571119315 /nfs/dbraw/zinc/11/93/15/571119315.db2.gz NGLHTEMLZRSLHH-UHFFFAOYSA-N -1 0 352.419 3.517 50 30 FHEARM CC(=O)[N-]S(=O)(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000000987886 571152677 /nfs/dbraw/zinc/15/26/77/571152677.db2.gz LCWNSNYUXWHABC-UHFFFAOYSA-N -1 0 360.222 3.797 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 ZINC000006654229 571239550 /nfs/dbraw/zinc/23/95/50/571239550.db2.gz LUAOTVHKSNPFGF-GWCFXTLKSA-N -1 0 374.487 3.671 50 30 FHEARM C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000007325394 571264443 /nfs/dbraw/zinc/26/44/43/571264443.db2.gz HKHLWVUGPBCSHE-UHFFFAOYSA-N -1 0 363.460 3.552 50 30 FHEARM CC(C)c1csc(C(C#N)=C([O-])c2cc3c([nH]c2=O)CCCCC3)n1 ZINC000080456083 571329534 /nfs/dbraw/zinc/32/95/34/571329534.db2.gz GSIVMZUYRWQYKC-CQSZACIVSA-N -1 0 355.463 3.714 50 30 FHEARM COc1cccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)c1 ZINC000101026572 209220357 /nfs/dbraw/zinc/22/03/57/209220357.db2.gz LSRUQVGRJLFMPW-SMFDUERQSA-N -1 0 368.414 3.627 50 30 FHEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2oc3cc(OC)ccc3c2C)C1 ZINC000091872995 206683877 /nfs/dbraw/zinc/68/38/77/206683877.db2.gz KCQBBQGTERHSNS-HXUWFJFHSA-N -1 0 357.406 3.633 50 30 FHEARM C=CCC(O)(CC=C)[C@@H](C)n1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000102147418 206708680 /nfs/dbraw/zinc/70/86/80/206708680.db2.gz OEOCVNCZRFIDHX-OAHLLOKOSA-N -1 0 369.417 3.783 50 30 FHEARM COc1ccc(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])cc1Cl ZINC000002190205 206904295 /nfs/dbraw/zinc/90/42/95/206904295.db2.gz PZVHPILFGDMDIL-FRKPEAEDSA-N -1 0 351.702 3.621 50 30 FHEARM CC(=NC(=N)Nc1nc(C)c2ccc(C)cc2n1)c1ccccc1C(=O)[O-] ZINC000004104261 207000880 /nfs/dbraw/zinc/00/08/80/207000880.db2.gz KOTMIPOHCQAGOF-WSDLNYQXSA-N -1 0 361.405 3.801 50 30 FHEARM Cc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000004649271 207034656 /nfs/dbraw/zinc/03/46/56/207034656.db2.gz NPOHFNZYOXEJRK-NIPZQEADSA-N -1 0 352.415 3.927 50 30 FHEARM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=N/O)cc1 ZINC000004670335 207036483 /nfs/dbraw/zinc/03/64/83/207036483.db2.gz ZLIWESDIWXYOGS-CAOOACKPSA-N -1 0 350.168 3.534 50 30 FHEARM COc1ccc(NC(=Nc2nc(C)cc(C)n2)[N-]C(=O)C(F)(F)F)cc1 ZINC000004702855 207040182 /nfs/dbraw/zinc/04/01/82/207040182.db2.gz WUWINLFMWKFSAK-UHFFFAOYSA-N -1 0 367.331 3.720 50 30 FHEARM O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Br)ccc1[O-] ZINC000004862986 207055055 /nfs/dbraw/zinc/05/50/55/207055055.db2.gz BFNPKUHWNIOWKC-DAFODLJHSA-N -1 0 361.191 3.822 50 30 biogenic FHEARM Fc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccco1 ZINC000005522346 207103978 /nfs/dbraw/zinc/10/39/78/207103978.db2.gz AHLGJVTZKGSQHC-FRKPEAEDSA-N -1 0 367.203 3.984 50 30 FHEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)ccc1O ZINC000006004795 207124631 /nfs/dbraw/zinc/12/46/31/207124631.db2.gz HSMDYXUOHMYWBJ-GIJQJNRQSA-N -1 0 360.826 3.857 50 30 FHEARM N#Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)[n-]c1C#N ZINC000012544338 207389458 /nfs/dbraw/zinc/38/94/58/207389458.db2.gz JVLZYFONQKEDGJ-UHFFFAOYSA-N -1 0 364.368 3.621 50 30 FHEARM Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCOc1ccc(C(C)(C)C)cc1 ZINC000039853939 208214300 /nfs/dbraw/zinc/21/43/00/208214300.db2.gz BMZFOVGMSZZFDN-QOCHGBHMSA-N -1 0 352.434 3.896 50 30 FHEARM O=C([O-])C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl ZINC000095670511 209085534 /nfs/dbraw/zinc/08/55/34/209085534.db2.gz ANRGSWRBGXZQLY-IUYQGCFVSA-N -1 0 363.415 3.982 50 30 FHEARM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)c1 ZINC000048560520 263407127 /nfs/dbraw/zinc/40/71/27/263407127.db2.gz IMQBYLVNEKBPDG-UHFFFAOYSA-N -1 0 357.431 3.656 50 30 FHEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc(OC)c1O ZINC000002222775 522002285 /nfs/dbraw/zinc/00/22/85/522002285.db2.gz OVNRJZBRKNJVKV-VXLYETTFSA-N -1 0 370.434 3.521 50 30 FHEARM CCc1sc(C(=O)[N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1C ZINC000060044032 523065229 /nfs/dbraw/zinc/06/52/29/523065229.db2.gz INIIWPIAUACYQK-UHFFFAOYSA-N -1 0 353.465 3.629 50 30 FHEARM COc1ccccc1C(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2C)c1C ZINC000103503188 524363448 /nfs/dbraw/zinc/36/34/48/524363448.db2.gz OSLHKIFCXPAAPS-QGZVFWFLSA-N -1 0 373.412 3.703 50 30 FHEARM Cc1ccc(-c2ccsc2C(=O)[N-]S(=O)(=O)N2CCCCC2)cc1 ZINC000064618726 525763941 /nfs/dbraw/zinc/76/39/41/525763941.db2.gz FLVDQZDYXAFYKP-UHFFFAOYSA-N -1 0 364.492 3.759 50 30 FHEARM C=C(C)COc1cc(OCC(=C)C)c2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000000646810 568012057 /nfs/dbraw/zinc/01/20/57/568012057.db2.gz XJQKFQIGUMLRFM-UHFFFAOYSA-N -1 0 358.390 3.638 50 30 FHEARM COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(Cl)c1Cl ZINC000000639978 570442253 /nfs/dbraw/zinc/44/22/53/570442253.db2.gz WNHMBKOESCUKLO-UHFFFAOYSA-N -1 0 371.245 3.869 50 30 FHEARM CC(N=Nc1nc2ccccc2o1)N=Nc1cccc(S(=O)(=O)[O-])c1 ZINC000004936094 570562559 /nfs/dbraw/zinc/56/25/59/570562559.db2.gz HGOAONCFDNMIQY-PLZFDSBDSA-N -1 0 359.367 3.604 50 30 FHEARM CC(C)(C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1 ZINC000002826242 570674664 /nfs/dbraw/zinc/67/46/64/570674664.db2.gz YASQXGVGHGCXGU-GIJQJNRQSA-N -1 0 359.338 3.962 50 30 FHEARM C=CCn1c(=O)c2c([n-]c1=S)sc1c2CCN(Cc2ccccc2)C1 ZINC000018142691 570813034 /nfs/dbraw/zinc/81/30/34/570813034.db2.gz CSFRAHUUQRWAJK-UHFFFAOYSA-N -1 0 369.515 3.865 50 30 FHEARM Cc1cc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2cccnc2)ccc1C(C)C ZINC000048532608 570957045 /nfs/dbraw/zinc/95/70/45/570957045.db2.gz FLZHTQYWCGAIFC-AWEZNQCLSA-N -1 0 362.451 3.626 50 30 FHEARM COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@](O)(CC#CC(=O)[O-])[C@@]3(C)CC[C@H]21 ZINC000071770799 571052975 /nfs/dbraw/zinc/05/29/75/571052975.db2.gz JAWMALXBSHNDSZ-IDNQLYMWSA-N -1 0 368.473 3.761 50 30 FHEARM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)C1(C)C ZINC000071808808 571126093 /nfs/dbraw/zinc/12/60/93/571126093.db2.gz HNLRTLJMQIIPHU-GWCFXTLKSA-N -1 0 365.480 3.575 50 30 FHEARM C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000061963752 571137579 /nfs/dbraw/zinc/13/75/79/571137579.db2.gz ABIJCMVYPICPRH-SGRLSNSRSA-N -1 0 366.442 3.745 50 30 FHEARM C=CCc1cccc(C=Nn2c(-c3ccccc3OC)n[n-]c2=S)c1O ZINC000002222684 571250577 /nfs/dbraw/zinc/25/05/77/571250577.db2.gz FDEFZVAPAWNBCX-UDWIEESQSA-N -1 0 366.446 3.933 50 30 FHEARM Cc1ccc(N=Cc2cccc(O)c2O)cc1I ZINC000252460825 571279028 /nfs/dbraw/zinc/27/90/28/571279028.db2.gz IKWDAGDLWHNZGQ-UHFFFAOYSA-N -1 0 353.159 3.761 50 30 FHEARM C[C@H]1CCc2c(C#N)c(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC000013255076 571323150 /nfs/dbraw/zinc/32/31/50/571323150.db2.gz SBGIFQHBXFKOGP-WFASDCNBSA-N -1 0 368.458 3.942 50 30 FHEARM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000079075792 571326839 /nfs/dbraw/zinc/32/68/39/571326839.db2.gz VOAOUKBDAXHAIL-UHFFFAOYSA-N -1 0 351.431 3.578 50 30 FHEARM Cc1c(C#N)c(NC(=O)c2cccnc2Cl)sc1C(=O)OC(C)C ZINC000002745317 571340689 /nfs/dbraw/zinc/34/06/89/571340689.db2.gz DVPFVSMCPWXFKE-UHFFFAOYSA-N -1 0 363.826 3.794 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2oc3ccccc3c2C)n1 ZINC000007977608 571357967 /nfs/dbraw/zinc/35/79/67/571357967.db2.gz LGZLPVNSIRALNI-ZDUSSCGKSA-N -1 0 354.387 3.539 50 30 FHEARM N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)cc1 ZINC000263508554 600479396 /nfs/dbraw/zinc/47/93/96/600479396.db2.gz WONJPIXKUSMOOA-OAHLLOKOSA-N -1 0 365.389 3.679 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3F)s2)C(=O)O1 ZINC000104572424 946278661 /nfs/dbraw/zinc/27/86/61/946278661.db2.gz QOFFQFORTBLQEZ-POZKEBTKSA-N -1 0 356.374 3.782 50 30 FHEARM C=CCOc1c(Br)cc(Br)cc1/C=C/C(=O)[O-] ZINC000013747786 210144533 /nfs/dbraw/zinc/14/45/33/210144533.db2.gz OVAVOFGOGSUNFT-ONEGZZNKSA-N -1 0 362.017 3.874 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc2[n-]c1=S ZINC000012609437 210141754 /nfs/dbraw/zinc/14/17/54/210141754.db2.gz KVXZUVGSZITBTP-UHFFFAOYSA-N -1 0 367.430 3.506 50 30 FHEARM C=CCSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000008738165 210137152 /nfs/dbraw/zinc/13/71/52/210137152.db2.gz HCLDHLGKUROSBI-UHFFFAOYSA-N -1 0 350.443 3.934 50 30 FHEARM COc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000018284771 211197256 /nfs/dbraw/zinc/19/72/56/211197256.db2.gz MWCJPMVNVHSCLY-FLFQWRMESA-N -1 0 370.412 3.914 50 30 FHEARM CCOC(=O)C1=C([O-])c2ccccc2C(=O)C1=Cc1ccc(OC)cc1 ZINC000018098233 211192238 /nfs/dbraw/zinc/19/22/38/211192238.db2.gz PWUGEFJWWIBKEP-ATVHPVEESA-N -1 0 350.370 3.807 50 30 FHEARM COc1cc(/C=C2\CSc3c(F)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000015662246 211136548 /nfs/dbraw/zinc/13/65/48/211136548.db2.gz DWTPRSKGMSKZFD-BJMVGYQFSA-N -1 0 361.350 3.820 50 30 FHEARM C[C@](CC(=O)Nc1sc2c(c1C#N)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000013254991 211028351 /nfs/dbraw/zinc/02/83/51/211028351.db2.gz LZBYSIUXXZQCIL-HXUWFJFHSA-N -1 0 368.458 3.870 50 30 FHEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)o1 ZINC000013208639 211027573 /nfs/dbraw/zinc/02/75/73/211027573.db2.gz IIXWBMIYCIZVFB-OAHLLOKOSA-N -1 0 370.386 3.729 50 30 FHEARM Brc1cccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1 ZINC000004676329 210550765 /nfs/dbraw/zinc/55/07/65/210550765.db2.gz MZNQGXHEIREPDH-GIJQJNRQSA-N -1 0 367.210 3.715 50 30 FHEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC000004628792 210547639 /nfs/dbraw/zinc/54/76/39/210547639.db2.gz QAGUHPZMIFAYBW-XBFCOCLRSA-N -1 0 360.479 3.964 50 30 FHEARM N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004646568 210547076 /nfs/dbraw/zinc/54/70/76/210547076.db2.gz BJRKVCNTDTWVOA-UONOGXRCSA-N -1 0 358.463 3.884 50 30 FHEARM O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000002284421 210388437 /nfs/dbraw/zinc/38/84/37/210388437.db2.gz VWKCWEATUZDERD-LLVKDONJSA-N -1 0 352.246 3.850 50 30 FHEARM O=C(N=C([O-])C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001891126 210373873 /nfs/dbraw/zinc/37/38/73/210373873.db2.gz ZNPLSGVNNLMLSV-UHFFFAOYSA-N -1 0 368.155 3.935 50 30 FHEARM COc1cc(OC)c(OC)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1 ZINC000001473757 210356633 /nfs/dbraw/zinc/35/66/33/210356633.db2.gz VMZMTPLUJWCQGH-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM COc1ccc(Br)c(/C=N/c2ccc(C(=O)[O-])cc2C)c1O ZINC000000809145 210274312 /nfs/dbraw/zinc/27/43/12/210274312.db2.gz VOPJRUZJXFEFJZ-QGMBQPNBSA-N -1 0 364.195 3.921 50 30 FHEARM COc1ccc(-c2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c2C#N)cc1F ZINC000096179370 222068057 /nfs/dbraw/zinc/06/80/57/222068057.db2.gz KOHDRQSAYUCSOS-UHFFFAOYSA-N -1 0 370.771 3.853 50 30 FHEARM CCCCCCCCCCCCCC(=O)NCCOS(=O)(=O)[O-] ZINC000100304592 222240676 /nfs/dbraw/zinc/24/06/76/222240676.db2.gz BURKWQBTDIHHKA-UHFFFAOYSA-N -1 0 351.509 3.623 50 30 FHEARM O=S(=O)([N-]c1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000100692004 222249539 /nfs/dbraw/zinc/24/95/39/222249539.db2.gz APDXYUBTVFWGGC-XDHOZWIPSA-N -1 0 372.837 3.681 50 30 FHEARM COc1ccc(OC)c(C([O-])=CC(=O)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000101355588 222271279 /nfs/dbraw/zinc/27/12/79/222271279.db2.gz GHZQNGQBZDYIEB-YBEGLDIGSA-N -1 0 361.781 3.621 50 30 FHEARM Cc1csc(C(C#N)=C([O-])c2cnn(Cc3ccccc3Cl)c2)n1 ZINC000041517604 526401724 /nfs/dbraw/zinc/40/17/24/526401724.db2.gz OXQZCGZMJWVRAZ-AWEZNQCLSA-N -1 0 356.838 3.840 50 30 FHEARM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000050679398 526490837 /nfs/dbraw/zinc/49/08/37/526490837.db2.gz ZRTAJDZKXQJLFL-OAHLLOKOSA-N -1 0 354.381 3.857 50 30 FHEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(I)cc2)c1 ZINC000002821176 570534492 /nfs/dbraw/zinc/53/44/92/570534492.db2.gz GDYAMKYKYQKABR-OVCLIPMQSA-N -1 0 368.130 3.656 50 30 FHEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cccnc2)cc1 ZINC000003129914 570552025 /nfs/dbraw/zinc/55/20/25/570552025.db2.gz BFRASFLZEWBXFC-KGENOOAVSA-N -1 0 351.431 3.941 50 30 FHEARM C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-] ZINC000003938750 570572174 /nfs/dbraw/zinc/57/21/74/570572174.db2.gz PBKZPPIHUVSDNM-WNHSNXHDSA-N -1 0 358.478 3.890 50 30 world FHEARM CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102437601 570832136 /nfs/dbraw/zinc/83/21/36/570832136.db2.gz ZDXMNKRPGNDGCI-IMGOXIFKSA-N -1 0 355.365 3.597 50 30 FHEARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000048472656 570955749 /nfs/dbraw/zinc/95/57/49/570955749.db2.gz YBMCFQYAJKHOMT-ZDUSSCGKSA-N -1 0 363.460 3.715 50 30 FHEARM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000077881233 571140799 /nfs/dbraw/zinc/14/07/99/571140799.db2.gz GUQIYKFOIJLLKV-KBXCAEBGSA-N -1 0 359.447 3.738 50 30 FHEARM O=[N+]([O-])c1cccc(C=Nc2ccc(I)cc2)c1[O-] ZINC000254483780 571275022 /nfs/dbraw/zinc/27/50/22/571275022.db2.gz MVGWZJYGXYMEQR-UHFFFAOYSA-N -1 0 368.130 3.656 50 30 FHEARM CCn1c([O-])c(C(=O)c2oc3ccc(Cl)cc3c2C)c(C)c(C#N)c1=O ZINC000016806490 211170800 /nfs/dbraw/zinc/17/08/00/211170800.db2.gz FRPKSFNXOIQYOG-UHFFFAOYSA-N -1 0 370.792 3.693 50 30 FHEARM CC/N=C1\S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N1CC ZINC000015953257 211150599 /nfs/dbraw/zinc/15/05/99/211150599.db2.gz SUNJRYRQKVTSKW-CMLHKUKGSA-N -1 0 370.430 3.957 50 30 FHEARM N#Cc1c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)sc2c1CCCC2 ZINC000013254995 211028288 /nfs/dbraw/zinc/02/82/88/211028288.db2.gz USAVKBJXMFOQMQ-CQSZACIVSA-N -1 0 354.431 3.696 50 30 FHEARM CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(O)c2)c1 ZINC000002337391 210391646 /nfs/dbraw/zinc/39/16/46/210391646.db2.gz CMRLOQNQKMVVSB-YBFXNURJSA-N -1 0 354.435 3.983 50 30 FHEARM O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000002284423 210388161 /nfs/dbraw/zinc/38/81/61/210388161.db2.gz VWKCWEATUZDERD-NSHDSACASA-N -1 0 352.246 3.850 50 30 FHEARM COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(OC)c(OC)c1 ZINC000001475998 210356572 /nfs/dbraw/zinc/35/65/72/210356572.db2.gz UXFCGFSKGMRBFJ-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1cccc(F)c1 ZINC000101247315 222266969 /nfs/dbraw/zinc/26/69/69/222266969.db2.gz JSBWVMUJAILXKK-SELCWUDQSA-N -1 0 351.377 3.742 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100507699 222246174 /nfs/dbraw/zinc/24/61/74/222246174.db2.gz HMFAFBMMTBUUCH-SILNSSARSA-N -1 0 371.238 3.948 50 30 FHEARM C=CCn1c2ccccc2nc1SCc1nc(=O)c2sccc2[n-]1 ZINC000008565504 263355763 /nfs/dbraw/zinc/35/57/63/263355763.db2.gz OHQBAJFFJJMQKA-UHFFFAOYSA-N -1 0 354.460 3.813 50 30 FHEARM CC(C)COC(=O)N=c1[n-]nc(SCCOc2ccccc2)s1 ZINC000002846725 519750066 /nfs/dbraw/zinc/75/00/66/519750066.db2.gz QZNIBTATMGAOIY-UHFFFAOYSA-N -1 0 353.469 3.927 50 30 aggregator FHEARM CCCCCCCCNC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O ZINC000299738235 520035320 /nfs/dbraw/zinc/03/53/20/520035320.db2.gz LSPOKMUMTNVZJZ-UHFFFAOYSA-N -1 0 369.465 3.711 50 30 FHEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OC ZINC000001473748 520853701 /nfs/dbraw/zinc/85/37/01/520853701.db2.gz IQFOHRXBCFHWEQ-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)c1O ZINC000005574100 521317339 /nfs/dbraw/zinc/31/73/39/521317339.db2.gz VHMUGCRLGCUCQW-YBFXNURJSA-N -1 0 354.435 3.903 50 30 FHEARM CCc1c(C([O-])=C(C#N)c2ccc(F)cn2)nnn1-c1cccc(Cl)c1 ZINC000225441319 523708458 /nfs/dbraw/zinc/70/84/58/523708458.db2.gz SUOGDPFPUUESSW-CQSZACIVSA-N -1 0 369.787 3.507 50 30 FHEARM O=C([O-])CSc1ccc(C(=O)/C=C/c2cccc3c2OCCO3)cc1F ZINC000054802514 527621537 /nfs/dbraw/zinc/62/15/37/527621537.db2.gz ROWZXPROQMYOMN-GQCTYLIASA-N -1 0 374.389 3.670 50 30 FHEARM COc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000095215268 570451789 /nfs/dbraw/zinc/45/17/89/570451789.db2.gz MEPLQFZXHHENRW-DARPEHSRSA-N -1 0 370.412 3.914 50 30 FHEARM NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(Cl)ccc1Cl ZINC000005012159 570574897 /nfs/dbraw/zinc/57/48/97/570574897.db2.gz DCFQQBFJLIPCTB-UHFFFAOYSA-N -1 0 359.216 3.586 50 30 FHEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Cl)cn2)c1 ZINC000004482644 570591988 /nfs/dbraw/zinc/59/19/88/570591988.db2.gz XAGRRARUCLZDBU-PJQLUOCWSA-N -1 0 356.563 3.862 50 30 FHEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000004870813 570611862 /nfs/dbraw/zinc/61/18/62/570611862.db2.gz JEUXUOWDBVHTKH-INIZCTEOSA-N -1 0 371.776 3.527 50 30 FHEARM N#Cc1cc2c([n-]c1=O)C[C@H](c1ccccc1)CC2=NNc1ccccc1 ZINC000004946093 570614337 /nfs/dbraw/zinc/61/43/37/570614337.db2.gz GONOHECGOFQDGW-RBYZGFTMSA-N -1 0 354.413 3.793 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)cc1OC ZINC000006166201 570642759 /nfs/dbraw/zinc/64/27/59/570642759.db2.gz UKLDECVDQCJPAQ-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM COc1ccc(CN=Nc2cc(C)nc(-c3ccccc3[O-])n2)c(OC)c1 ZINC000013763727 570789854 /nfs/dbraw/zinc/78/98/54/570789854.db2.gz KDXHDDOSBANVSS-CIAFOILYSA-N -1 0 364.405 3.621 50 30 FHEARM Clc1cc(Cl)c(OCc2ccccc2)c(CN=Nc2nnn[n-]2)c1 ZINC000006475200 570871870 /nfs/dbraw/zinc/87/18/70/570871870.db2.gz XDTLMGXLYRXWMR-QGMBQPNBSA-N -1 0 363.208 3.532 50 30 FHEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCSc1ccccc1 ZINC000048505153 570956550 /nfs/dbraw/zinc/95/65/50/570956550.db2.gz ZSBUBWZKKUVGFY-UHFFFAOYSA-N -1 0 360.460 3.527 50 30 FHEARM COc1ccc(Br)c(/C=N/c2cccc3nsnc32)c1O ZINC000100337852 571191416 /nfs/dbraw/zinc/19/14/16/571191416.db2.gz FJACTCAGUBACFL-FRKPEAEDSA-N -1 0 364.224 3.919 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1OC ZINC000005433069 571214166 /nfs/dbraw/zinc/21/41/66/571214166.db2.gz ORCGVIBERTZPBK-VXLYETTFSA-N -1 0 358.398 3.646 50 30 FHEARM O=[N+]([O-])c1ccc([O-])c(C=NNc2ncnc3sc4c(c32)CCCC4)c1 ZINC000036046708 571239579 /nfs/dbraw/zinc/23/95/79/571239579.db2.gz SQWWVSFAKPZRRS-DNTJNYDQSA-N -1 0 369.406 3.630 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(SC(F)(F)F)cc2)C(=O)O1 ZINC000024061322 934593373 /nfs/dbraw/zinc/59/33/73/934593373.db2.gz LDEFMJOLKUUEPU-BTKRWWFXSA-N -1 0 356.321 3.527 50 30 FHEARM COc1ccc2c(c1)CC/C(=C/c1cc(OC)c([O-])c([N+](=O)[O-])c1)C2=O ZINC000035601153 210186058 /nfs/dbraw/zinc/18/60/58/210186058.db2.gz GVNDUOUWHSQUEX-QPEQYQDCSA-N -1 0 355.346 3.530 50 30 FHEARM C=CCN(Cc1cccnc1)Cc1cccc(-c2nc(C)c(F)c(=O)[n-]2)c1 ZINC000023478499 210159237 /nfs/dbraw/zinc/15/92/37/210159237.db2.gz CRIZAUSTMPWQOT-UHFFFAOYSA-N -1 0 364.424 3.880 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccccc2)no1 ZINC000013570593 220074340 /nfs/dbraw/zinc/07/43/40/220074340.db2.gz JINOZBDFMNSJNX-MRXNPFEDSA-N -1 0 366.398 3.827 50 30 FHEARM C=CCc1cccc(C=Nn2c(-c3ccc(OC)cc3)n[n-]c2=S)c1O ZINC000001478114 210356946 /nfs/dbraw/zinc/35/69/46/210356946.db2.gz KRRCRWDNHAYMLG-UDWIEESQSA-N -1 0 366.446 3.933 50 30 FHEARM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000000849548 210281132 /nfs/dbraw/zinc/28/11/32/210281132.db2.gz ZOXFXPZJXICCBF-MOPGFXCFSA-N -1 0 362.385 3.956 50 30 FHEARM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000000849547 210280568 /nfs/dbraw/zinc/28/05/68/210280568.db2.gz ZOXFXPZJXICCBF-OALUTQOASA-N -1 0 362.385 3.956 50 30 FHEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071765264 221372853 /nfs/dbraw/zinc/37/28/53/221372853.db2.gz BRPVVJHQHZABAO-INIZCTEOSA-N -1 0 367.424 3.591 50 30 FHEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 ZINC000091391204 132303871 /nfs/dbraw/zinc/30/38/71/132303871.db2.gz GOZUXQMYDOZXTL-NRFANRHFSA-N -1 0 356.466 3.560 50 30 FHEARM N#CC1=C([O-])NC(Nc2ccc(Cl)cc2Cl)=NC12CCCCC2 ZINC000096318569 222115141 /nfs/dbraw/zinc/11/51/41/222115141.db2.gz MGFOGNJERBIHMH-NSHDSACASA-N -1 0 351.237 3.734 50 30 FHEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccco1 ZINC000096336099 222115957 /nfs/dbraw/zinc/11/59/57/222115957.db2.gz SFZFHOQDHGYGTI-AWEZNQCLSA-N -1 0 370.361 3.658 50 30 FHEARM CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)[O-] ZINC000098087042 222228211 /nfs/dbraw/zinc/22/82/11/222228211.db2.gz QFUUKQLEPLGKDE-LICLKQGHSA-N -1 0 356.399 3.878 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100005507 222231959 /nfs/dbraw/zinc/23/19/59/222231959.db2.gz HMFAFBMMTBUUCH-CAPFRKAQSA-N -1 0 371.238 3.948 50 30 FHEARM O=C1c2ccccc2C(=O)C1=C([O-])C=Cc1ccc(Br)cc1 ZINC000100943486 222257894 /nfs/dbraw/zinc/25/78/94/222257894.db2.gz JAVQJOTUCCJDGD-JXMROGBWSA-N -1 0 355.187 3.727 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000101231777 222264749 /nfs/dbraw/zinc/26/47/49/222264749.db2.gz WFPTWGVUTNCUAD-GROYHEBESA-N -1 0 353.805 3.948 50 30 FHEARM COc1ccc(OC)c(C([O-])=CC(=O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000101355616 222272020 /nfs/dbraw/zinc/27/20/20/222272020.db2.gz WLTCBMSVGPJHRL-YBEGLDIGSA-N -1 0 361.781 3.621 50 30 FHEARM O=C1C(=O)N(Cc2ccco2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102543309 222300258 /nfs/dbraw/zinc/30/02/58/222300258.db2.gz WUXMDTAQSWQOMK-LFVOPCPISA-N -1 0 359.381 3.902 50 30 FHEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)ccc1O ZINC000001473621 520644474 /nfs/dbraw/zinc/64/44/74/520644474.db2.gz RCMBAIBUVUVDKE-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM CCOc1ccc(C([O-])=CC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000101355180 520871536 /nfs/dbraw/zinc/87/15/36/520871536.db2.gz UXVDNJIVPSPZPG-WQRHYEAKSA-N -1 0 370.361 3.565 50 30 FHEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533793 525314815 /nfs/dbraw/zinc/31/48/15/525314815.db2.gz RLZYCYTZQGHRMD-AAPKDCIVSA-N -1 0 373.493 3.933 50 30 FHEARM C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003272765 568118233 /nfs/dbraw/zinc/11/82/33/568118233.db2.gz BNLMJDUQUYBCLZ-UHFFFAOYSA-N -1 0 369.801 3.559 50 30 FHEARM O=C([O-])C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl ZINC000095670512 570470514 /nfs/dbraw/zinc/47/05/14/570470514.db2.gz ANRGSWRBGXZQLY-QWWZWVQMSA-N -1 0 363.415 3.982 50 30 FHEARM Cc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1 ZINC000005024864 570576178 /nfs/dbraw/zinc/57/61/78/570576178.db2.gz YTDGNRCPDYAMPJ-ZDWRFWLISA-N -1 0 352.415 3.927 50 30 FHEARM C=CC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575674 570624982 /nfs/dbraw/zinc/62/49/82/570624982.db2.gz SVCMPCVPSYAVJO-AWEZNQCLSA-N -1 0 351.402 3.945 50 30 FHEARM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000006055668 570640488 /nfs/dbraw/zinc/64/04/88/570640488.db2.gz PJAQJKFQDAIHKP-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM C=CCn1c(=O)c(-c2nc(-c3cccc(F)c3)no2)c([O-])c2ccccc21 ZINC000101231575 570817621 /nfs/dbraw/zinc/81/76/21/570817621.db2.gz ORYHLRHTOFJDDT-UHFFFAOYSA-N -1 0 363.348 3.749 50 30 FHEARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C=Cc1cccc2ccccc12 ZINC000048534692 570956956 /nfs/dbraw/zinc/95/69/56/570956956.db2.gz RKDJPZRKJIWLSO-VAWYXSNFSA-N -1 0 369.446 3.549 50 30 FHEARM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791324 571050950 /nfs/dbraw/zinc/05/09/50/571050950.db2.gz VWMBAWCQGQXGTQ-UHFFFAOYSA-N -1 0 362.838 3.964 50 30 FHEARM COc1ccc(-c2nc(N(C)Cc3ccc(F)cc3)[n-]c(=O)c2C#N)cc1 ZINC000040122665 571081204 /nfs/dbraw/zinc/08/12/04/571081204.db2.gz UEFCZWFWNXLOCW-UHFFFAOYSA-N -1 0 364.380 3.505 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(N(C)C)cc2)c1 ZINC000005408636 571214150 /nfs/dbraw/zinc/21/41/50/571214150.db2.gz SGGXQPRIHPVFMS-DEDYPNTBSA-N -1 0 367.478 3.955 50 30 FHEARM CCNc1c2ccccc2oc(=O)c1/N=C(\O)c1ccc2c(c1)OCO2 ZINC000006825045 571248251 /nfs/dbraw/zinc/24/82/51/571248251.db2.gz GAYZKEADLPOZCU-UHFFFAOYSA-N -1 0 352.346 3.590 50 30 FHEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N=Cc2ccncc2)cc1 ZINC000254290680 571272620 /nfs/dbraw/zinc/27/26/20/571272620.db2.gz KPJFJUXLXFZKES-UHFFFAOYSA-N -1 0 351.431 3.941 50 30 FHEARM Brc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000252621482 571288202 /nfs/dbraw/zinc/28/82/02/571288202.db2.gz MZLFNMMPGLCIBY-UHFFFAOYSA-N -1 0 367.210 3.715 50 30 FHEARM C=CCN(CC#Cc1ccccc1)[C@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055369735 210067354 /nfs/dbraw/zinc/06/73/54/210067354.db2.gz OTZMUWLCGCFUHE-NRFANRHFSA-N -1 0 363.457 3.977 50 30 FHEARM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([N+](=O)[O-])c(Cl)c2)c1[O-] ZINC000004825219 219609774 /nfs/dbraw/zinc/60/97/74/219609774.db2.gz HKCNOJMFOBSRKA-FRKPEAEDSA-N -1 0 351.702 3.621 50 30 FHEARM COc1ccc2nc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])sc2c1 ZINC000038170413 211697576 /nfs/dbraw/zinc/69/75/76/211697576.db2.gz FBCVRQVZTQKLNO-FRKPEAEDSA-N -1 0 374.334 3.578 50 30 FHEARM O=C([O-])C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccc(Cl)cc2)C1=O ZINC000020508895 211286432 /nfs/dbraw/zinc/28/64/32/211286432.db2.gz HMHRYCDVNOALJD-ZJYNUGOYSA-N -1 0 374.849 3.946 50 30 FHEARM CCCCCn1c([O-])c(C(=O)c2ccc(Cl)cc2)c(C)c(C#N)c1=O ZINC000016806492 211170018 /nfs/dbraw/zinc/17/00/18/211170018.db2.gz IXMAHCOSALSDLK-UHFFFAOYSA-N -1 0 358.825 3.809 50 30 FHEARM COc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000103483194 222336398 /nfs/dbraw/zinc/33/63/98/222336398.db2.gz RBJSQMCIWLAEDN-HNNXBMFYSA-N -1 0 362.385 3.699 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc1OC ZINC000006055671 523455475 /nfs/dbraw/zinc/45/54/75/523455475.db2.gz AEJIRBXANWFFMU-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000001475986 523455700 /nfs/dbraw/zinc/45/57/00/523455700.db2.gz HWRDVXJMZPUXGO-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM Cc1ccccc1OCc1ccc(C=Nn2c(=S)[n-]nc2C(F)F)o1 ZINC000002793204 525315038 /nfs/dbraw/zinc/31/50/38/525315038.db2.gz FDUVHEPLZNRVQD-UFWORHAWSA-N -1 0 364.377 3.867 50 30 FHEARM O=C1c2cccc(Br)c2O/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000299738320 527126244 /nfs/dbraw/zinc/12/62/44/527126244.db2.gz UWKVTDHXSFBVBP-QPEQYQDCSA-N -1 0 362.135 3.679 50 30 FHEARM O=C([O-])C(Cl)=C(Cl)C=NNc1ncc(C(F)(F)F)cc1Cl ZINC000002569431 570525269 /nfs/dbraw/zinc/52/52/69/570525269.db2.gz PEBHUEXAFKFJHK-YGISBFOLSA-N -1 0 362.522 3.925 50 30 FHEARM C=CC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000002820655 570674685 /nfs/dbraw/zinc/67/46/85/570674685.db2.gz PRNFFNJPDQOUBR-UFWORHAWSA-N -1 0 352.341 3.811 50 30 FHEARM N#CC(C(=O)NC1CCCC1)=C([O-])c1cc2c(s1)-c1ccccc1OC2 ZINC000102144655 570827715 /nfs/dbraw/zinc/82/77/15/570827715.db2.gz VIYPKSNZEJFFLQ-HNNXBMFYSA-N -1 0 366.442 3.689 50 30 FHEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000006055691 571274980 /nfs/dbraw/zinc/27/49/80/571274980.db2.gz GYMMCRCZAXHYBU-YBFXNURJSA-N -1 0 352.419 3.585 50 30 FHEARM COc1ccccc1/C=C1\SC(=Nc2cccc(C(=O)[O-])c2)N(C)C1=O ZINC000252615669 571286000 /nfs/dbraw/zinc/28/60/00/571286000.db2.gz JUQZSVKJWFINEH-LQRSTDMYSA-N -1 0 368.414 3.627 50 30 FHEARM C=CCN1C(=O)[N-]C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C1=O ZINC000017207122 210154237 /nfs/dbraw/zinc/15/42/37/210154237.db2.gz JAQPSCQNGVBHOO-LGMDPLHJSA-N -1 0 371.396 3.687 50 30 FHEARM C=CCc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc(OC)c1O ZINC000001132050 210148966 /nfs/dbraw/zinc/14/89/66/210148966.db2.gz BSPVIIVOKRWQQE-UHFFFAOYSA-N -1 0 368.458 3.973 50 30 FHEARM C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000005690187 210105279 /nfs/dbraw/zinc/10/52/79/210105279.db2.gz SPOHOLGIFJAILQ-MRXNPFEDSA-N -1 0 359.451 3.509 50 30 FHEARM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000047212126 211848954 /nfs/dbraw/zinc/84/89/54/211848954.db2.gz VYYFSOGFGLNHEG-UHFFFAOYSA-N -1 0 351.387 3.546 50 30 FHEARM O=C([O-])c1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000016906113 220196850 /nfs/dbraw/zinc/19/68/50/220196850.db2.gz PYISGGXTGOFQRO-NTEUORMPSA-N -1 0 358.806 3.930 50 30 FHEARM Cc1ccc(C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000017206866 211183052 /nfs/dbraw/zinc/18/30/52/211183052.db2.gz NQMLESZGFDIILH-LDADJPATSA-N -1 0 358.232 3.783 50 30 FHEARM Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000017073034 211176906 /nfs/dbraw/zinc/17/69/06/211176906.db2.gz TZGWKTSSVXOLLE-DOXJHMMXSA-N -1 0 352.415 3.927 50 30 FHEARM C[C@@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC000013255071 211028855 /nfs/dbraw/zinc/02/88/55/211028855.db2.gz SBGIFQHBXFKOGP-IUODEOHRSA-N -1 0 368.458 3.942 50 30 FHEARM Cc1ccc(/N=C2\S/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000002140067 210380769 /nfs/dbraw/zinc/38/07/69/210380769.db2.gz TZGWKTSSVXOLLE-CMLHKUKGSA-N -1 0 352.415 3.927 50 30 FHEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccco1 ZINC000096336100 222115757 /nfs/dbraw/zinc/11/57/57/222115757.db2.gz TWVHAYVMYNHOJY-CQSZACIVSA-N -1 0 370.361 3.658 50 30 FHEARM COc1ccc(/C=C\C(=O)c2ccc(OC)c(CSCC(=O)[O-])c2)cc1 ZINC000096891487 222136863 /nfs/dbraw/zinc/13/68/63/222136863.db2.gz WGNNQPPRSCCUCX-UITAMQMPSA-N -1 0 372.442 3.918 50 30 FHEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@@H](C(=O)OC)CCC1=O ZINC000100740749 519983858 /nfs/dbraw/zinc/98/38/58/519983858.db2.gz NNENEEZZPNGAFR-MAUKXSAKSA-N -1 0 352.471 3.814 50 30 FHEARM CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000005576568 522127140 /nfs/dbraw/zinc/12/71/40/522127140.db2.gz BTUYAWYIPNWCNA-UDWIEESQSA-N -1 0 368.462 3.973 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(F)c2)cc1OC ZINC000001248840 523177588 /nfs/dbraw/zinc/17/75/88/523177588.db2.gz SIPPZMUHCPXUCO-VXLYETTFSA-N -1 0 358.398 3.646 50 30 FHEARM COc1cc([N+](=O)[O-])cc(C=NN=c2[nH]c3ccc(C)cc3s2)c1[O-] ZINC000095116548 570451732 /nfs/dbraw/zinc/45/17/32/570451732.db2.gz DPJRFZGKINPAOQ-CAOOACKPSA-N -1 0 358.379 3.673 50 30 FHEARM O=C([O-])C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl ZINC000095670510 570470506 /nfs/dbraw/zinc/47/05/06/570470506.db2.gz ANRGSWRBGXZQLY-DMTCNVIQSA-N -1 0 363.415 3.982 50 30 FHEARM COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000004870669 570553544 /nfs/dbraw/zinc/55/35/44/570553544.db2.gz VCJXFIOWKVEYNF-LJQANCHMSA-N -1 0 367.401 3.501 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)c(OC)c1 ZINC000005907189 570638398 /nfs/dbraw/zinc/63/83/98/570638398.db2.gz JLTXAYQZCIPNSZ-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM CC(C)(C)C(=O)C1=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000004558125 570834038 /nfs/dbraw/zinc/83/40/38/570834038.db2.gz PDZDPNXFQJHFGT-KRWDZBQOSA-N -1 0 373.449 3.642 50 30 FHEARM COc1cccc(NC(=O)c2[n-]cnc2C(=O)Nc2ccccc2C)c1 ZINC000006460003 570979079 /nfs/dbraw/zinc/97/90/79/570979079.db2.gz JQXLYXJNPQTMGG-UHFFFAOYSA-N -1 0 350.378 3.999 50 30 FHEARM O=c1[n-]c(NN=Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 ZINC000033377590 571064985 /nfs/dbraw/zinc/06/49/85/571064985.db2.gz SPPRTTIKODPYQA-UFFVCSGVSA-N -1 0 359.311 3.709 50 30 FHEARM COc1ccc(-c2nc(N(C)Cc3ccccc3C)[n-]c(=O)c2C#N)cc1 ZINC000040122662 571081141 /nfs/dbraw/zinc/08/11/41/571081141.db2.gz VUHJGYYYVSBBEE-UHFFFAOYSA-N -1 0 360.417 3.674 50 30 FHEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043443262 571100497 /nfs/dbraw/zinc/10/04/97/571100497.db2.gz ZWBAMYVPMDSJGQ-UHFFFAOYSA-N -1 0 364.057 3.810 50 30 in-vitro FHEARM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)C1(C)C ZINC000071808805 571126073 /nfs/dbraw/zinc/12/60/73/571126073.db2.gz HNLRTLJMQIIPHU-ZWNOBZJWSA-N -1 0 365.480 3.575 50 30 FHEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)C1=C([O-])c1ccco1 ZINC000006188347 571156439 /nfs/dbraw/zinc/15/64/39/571156439.db2.gz NGNBJUGXFJGHJI-CQSZACIVSA-N -1 0 352.371 3.519 50 30 FHEARM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccccc2F)c1 ZINC000005432836 571214070 /nfs/dbraw/zinc/21/40/70/571214070.db2.gz DEMWYOQGAPZIKP-VXLYETTFSA-N -1 0 358.398 3.646 50 30 FHEARM C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000002128228 571278773 /nfs/dbraw/zinc/27/87/73/571278773.db2.gz KLYOBAKCMUGBSF-GDNBJRDFSA-N -1 0 355.371 3.867 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000252460695 571278995 /nfs/dbraw/zinc/27/89/95/571278995.db2.gz HMFAFBMMTBUUCH-UHFFFAOYSA-N -1 0 371.238 3.948 50 30 FHEARM CC1=C(C#N)C(=O)[N-]C(=O)C1=NNc1ccc(Sc2nccn2C)cc1 ZINC000253531720 571318740 /nfs/dbraw/zinc/31/87/40/571318740.db2.gz AXAUCFASFBNDDB-UHFFFAOYSA-N -1 0 366.406 3.973 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3F)cc2[n-]c1=S ZINC000003631270 571351823 /nfs/dbraw/zinc/35/18/23/571351823.db2.gz WQSJZZSPPXUHKA-UHFFFAOYSA-N -1 0 355.394 3.636 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2[n-]c1=S ZINC000012609876 210141525 /nfs/dbraw/zinc/14/15/25/210141525.db2.gz YXDDMKPSFFNSSH-UHFFFAOYSA-N -1 0 369.421 3.945 50 30 FHEARM C=CCC(O)(CC=C)[C@H](C)n1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000102147413 210105884 /nfs/dbraw/zinc/10/58/84/210105884.db2.gz OEOCVNCZRFIDHX-HNNXBMFYSA-N -1 0 369.417 3.783 50 30 FHEARM C=C[C@](C)(CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481821 210066514 /nfs/dbraw/zinc/06/65/14/210066514.db2.gz UHCUTSMBIWACHX-OAQYLSRUSA-N -1 0 351.402 3.945 50 30 FHEARM O=C([O-])C(C(=O)/C=C/c1ccc2c(c1)OCO2)=C1SCCCCS1 ZINC000000976648 219348579 /nfs/dbraw/zinc/34/85/79/219348579.db2.gz VGIQTUQZIRKCOT-HWKANZROSA-N -1 0 364.444 3.554 50 30 FHEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000007054209 219790200 /nfs/dbraw/zinc/79/02/00/219790200.db2.gz GRVRBQMZVNDTKD-UHFFFAOYSA-N -1 0 372.490 3.701 50 30 FHEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/[C@H]4[C@H](C)CC(C)=C[C@@H]4C)c3=O)c2c1 ZINC000008743546 219868442 /nfs/dbraw/zinc/86/84/42/219868442.db2.gz NCQAORGGTQHOSV-JAJYJAKESA-N -1 0 364.449 3.964 50 30 FHEARM C#Cc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000012526051 220003360 /nfs/dbraw/zinc/00/33/60/220003360.db2.gz QGXRVMCAAASHBN-UHFFFAOYSA-N -1 0 372.190 3.509 50 30 FHEARM O=C([O-])c1ccc(NN=C2C(=O)Nc3ccc(-c4ccccc4)cc32)cc1 ZINC000043903290 211795681 /nfs/dbraw/zinc/79/56/81/211795681.db2.gz XPORTNVWNYQKDB-UHFFFAOYSA-N -1 0 357.369 3.820 50 30 FHEARM [O-]c1c(Br)cc(Br)cc1C=NNc1ccccn1 ZINC000015015491 211115537 /nfs/dbraw/zinc/11/55/37/211115537.db2.gz YKUIVMWLVDCBDY-APSNUPSMSA-N -1 0 371.032 3.758 50 30 FHEARM C[C@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC000013255073 211028337 /nfs/dbraw/zinc/02/83/37/211028337.db2.gz SBGIFQHBXFKOGP-SWLSCSKDSA-N -1 0 368.458 3.942 50 30 FHEARM CC1(C)Cc2nc(NC(=S)Nc3ccccc3)c(C(=O)[O-])cc2CO1 ZINC000005092051 210598629 /nfs/dbraw/zinc/59/86/29/210598629.db2.gz STTFDYRJKIOLEG-UHFFFAOYSA-N -1 0 357.435 3.661 50 30 FHEARM N#Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000004578371 210542895 /nfs/dbraw/zinc/54/28/95/210542895.db2.gz IGOFNCWSZSIRGA-DAFNUICNSA-N -1 0 365.396 3.777 50 30 FHEARM CCOC(=O)c1c(C)[nH]nc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002275377 210388814 /nfs/dbraw/zinc/38/88/14/210388814.db2.gz UXYZBNZRCWCUCV-UHFFFAOYSA-N -1 0 372.187 3.820 50 30 FHEARM C=CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002383933 210394683 /nfs/dbraw/zinc/39/46/83/210394683.db2.gz CPJQXKHZCVDRSX-IBGZPJMESA-N -1 0 351.402 3.945 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c(OC)c1 ZINC000001473687 210355926 /nfs/dbraw/zinc/35/59/26/210355926.db2.gz SITAPRSEDPVTLI-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)c(OC)c1 ZINC000001250981 210339704 /nfs/dbraw/zinc/33/97/04/210339704.db2.gz HUZDZJXPTBTLCO-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM COc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cc(Cl)c1[O-] ZINC000071764326 221371592 /nfs/dbraw/zinc/37/15/92/221371592.db2.gz FUIAXJSHAAZPNZ-UHFFFAOYSA-N -1 0 369.812 3.577 50 30 FHEARM COc1cc(/C=C2/CSc3c(F)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000096925170 222139889 /nfs/dbraw/zinc/13/98/89/222139889.db2.gz DWTPRSKGMSKZFD-YHYXMXQVSA-N -1 0 361.350 3.820 50 30 FHEARM C[C@H]1CC[C@@](C#N)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172618 222264472 /nfs/dbraw/zinc/26/44/72/222264472.db2.gz QMTTTYCGJUXRGP-KSFYIVLOSA-N -1 0 359.429 3.928 50 30 FHEARM C[C@@H]1CC[C@@](C#N)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172624 222264668 /nfs/dbraw/zinc/26/46/68/222264668.db2.gz QMTTTYCGJUXRGP-OPAMFIHVSA-N -1 0 359.429 3.928 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(C)cc2)no1 ZINC000102804692 222308665 /nfs/dbraw/zinc/30/86/65/222308665.db2.gz XTAONSKGADBKPX-HVESIFNPSA-N -1 0 364.357 3.511 50 30 FHEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)o1 ZINC000102803868 222309347 /nfs/dbraw/zinc/30/93/47/222309347.db2.gz ASLIIZSNVKRLJS-GROYHEBESA-N -1 0 364.357 3.511 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000022357309 263386173 /nfs/dbraw/zinc/38/61/73/263386173.db2.gz IKKYNDVNLMORPQ-GBXSZLQWSA-N -1 0 360.822 3.538 50 30 FHEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@H](C(=O)OC)CCC1=O ZINC000100740752 519983992 /nfs/dbraw/zinc/98/39/92/519983992.db2.gz NNENEEZZPNGAFR-QAPCUYQASA-N -1 0 352.471 3.814 50 30 FHEARM CCc1nc(C(C#N)=C([O-])C=Cc2ccc(NC(C)=O)cc2)sc1C ZINC000098055135 522410384 /nfs/dbraw/zinc/41/03/84/522410384.db2.gz LEUPFHRJCKLHFN-BJIFSAINSA-N -1 0 353.447 3.862 50 30 FHEARM C=C(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002526802 570545313 /nfs/dbraw/zinc/54/53/13/570545313.db2.gz YUPPKUMKKSBZRL-LJQANCHMSA-N -1 0 351.402 3.945 50 30 FHEARM CC(C)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004738547 570604006 /nfs/dbraw/zinc/60/40/06/570604006.db2.gz STTCSXQUCAZWBA-ZTBJCTOSSA-N -1 0 367.380 3.551 50 30 FHEARM Cc1ccc(/N=C2\S[C@H](CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000005682445 570633384 /nfs/dbraw/zinc/63/33/84/570633384.db2.gz HMTMTHUUFQSRFI-DVSFIDLUSA-N -1 0 354.431 3.914 50 30 FHEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1 ZINC000006054246 570640607 /nfs/dbraw/zinc/64/06/07/570640607.db2.gz WFCOVAHJMPFINB-YBFXNURJSA-N -1 0 352.419 3.585 50 30 FHEARM COc1ccc(-c2nc(NCc3cccc(Cl)c3)[n-]c(=O)c2C#N)cc1 ZINC000040129961 571082120 /nfs/dbraw/zinc/08/21/20/571082120.db2.gz GZOKFJGQAWKWKI-UHFFFAOYSA-N -1 0 366.808 3.995 50 30 FHEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000004756845 571102504 /nfs/dbraw/zinc/10/25/04/571102504.db2.gz CATFJRIOJIFDQW-UHFFFAOYSA-N -1 0 366.442 3.556 50 30 FHEARM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1OCCc2ccccc21 ZINC000077881239 571140910 /nfs/dbraw/zinc/14/09/10/571140910.db2.gz GUQIYKFOIJLLKV-KSSFIOAISA-N -1 0 359.447 3.738 50 30 FHEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)COc2cccc(C(C)C)c2)s1 ZINC000083150611 571209501 /nfs/dbraw/zinc/20/95/01/571209501.db2.gz RIXXJSXSZAVEJJ-UHFFFAOYSA-N -1 0 368.480 3.608 50 30 FHEARM COc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000252461595 571279025 /nfs/dbraw/zinc/27/90/25/571279025.db2.gz MWCJPMVNVHSCLY-UHFFFAOYSA-N -1 0 370.412 3.914 50 30 FHEARM Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCCC[C@H]1CCc1cccs1 ZINC000077522945 571321049 /nfs/dbraw/zinc/32/10/49/571321049.db2.gz BTOUGDXXYOCMGP-HNNXBMFYSA-N -1 0 355.463 3.656 50 30 FHEARM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1C#N ZINC000095960862 571333040 /nfs/dbraw/zinc/33/30/40/571333040.db2.gz NJAXOQUCYFLVGJ-UHFFFAOYSA-N -1 0 358.231 3.599 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2[n-]c1=S ZINC000003631268 571351827 /nfs/dbraw/zinc/35/18/27/571351827.db2.gz GASIHCAMSRKLHC-UHFFFAOYSA-N -1 0 351.431 3.806 50 30 FHEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2cc(F)ccc2C)c1=O ZINC000012414643 210140589 /nfs/dbraw/zinc/14/05/89/210140589.db2.gz FRJTYBMYFFQAEG-UHFFFAOYSA-N -1 0 352.365 3.593 50 30 FHEARM C=CCN(C/C=C/c1ccccc1)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055245535 210068331 /nfs/dbraw/zinc/06/83/31/210068331.db2.gz ZUUFJGRWVNHBJF-JXMROGBWSA-N -1 0 350.418 3.525 50 30 FHEARM CCCCCN1C(C(=O)c2ccccc2)=C([O-])c2ccccc2S1(=O)=O ZINC000020533547 211286146 /nfs/dbraw/zinc/28/61/46/211286146.db2.gz LVFKNMLXQWWKDM-UHFFFAOYSA-N -1 0 371.458 3.991 50 30 FHEARM N#Cc1c(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000018222081 211195762 /nfs/dbraw/zinc/19/57/62/211195762.db2.gz UULFOUCELPTWQU-UHFFFAOYSA-N -1 0 364.386 3.921 50 30 FHEARM CC(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000018157334 211194026 /nfs/dbraw/zinc/19/40/26/211194026.db2.gz QHUXILPJUCCMQE-MRXNPFEDSA-N -1 0 371.776 3.527 50 30 FHEARM N#Cc1c(SCC(=O)[O-])nc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000000799001 210272361 /nfs/dbraw/zinc/27/23/61/210272361.db2.gz MVIYBVXLGGEINV-UHFFFAOYSA-N -1 0 356.300 3.955 50 30 FHEARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000048450799 221013527 /nfs/dbraw/zinc/01/35/27/221013527.db2.gz QALGQTFPHKORFU-UHFFFAOYSA-N -1 0 374.418 3.670 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Br ZINC000100005529 222231240 /nfs/dbraw/zinc/23/12/40/222231240.db2.gz PERJGGYQKUEGTB-XDJHFCHBSA-N -1 0 357.211 3.640 50 30 FHEARM O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102497216 222298301 /nfs/dbraw/zinc/29/83/01/222298301.db2.gz TUFCJRJHWYSTKJ-NHFXJNLRSA-N -1 0 370.408 3.704 50 30 FHEARM Cc1cc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cccnc2)ccc1C(C)C ZINC000048532609 263407405 /nfs/dbraw/zinc/40/74/05/263407405.db2.gz FLZHTQYWCGAIFC-CQSZACIVSA-N -1 0 362.451 3.626 50 30 FHEARM C=CCc1ccc(OCCOCCOc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000002984290 519137173 /nfs/dbraw/zinc/13/71/73/519137173.db2.gz YXTYDHURBDBCMK-UHFFFAOYSA-N -1 0 372.417 3.596 50 30 FHEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2ccccc2Cl)s1 ZINC000032891698 520390159 /nfs/dbraw/zinc/39/01/59/520390159.db2.gz JOTWKLAIHFRMPM-UHFFFAOYSA-N -1 0 372.859 3.504 50 30 FHEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)c1O ZINC000001239417 521316324 /nfs/dbraw/zinc/31/63/24/521316324.db2.gz XXJZQKJFWSZHDZ-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(C)c2)cc1OC ZINC000001454719 523177246 /nfs/dbraw/zinc/17/72/46/523177246.db2.gz GREIDOWEUUJXBC-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])sc2C1 ZINC000239128711 523370819 /nfs/dbraw/zinc/37/08/19/523370819.db2.gz KQWSFSCGHQOOKF-KWCYVHTRSA-N -1 0 358.463 3.740 50 30 FHEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(OC)ccc2OC)c1 ZINC000005932604 525717713 /nfs/dbraw/zinc/71/77/13/525717713.db2.gz FWVRUADXMHSNPU-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000076767184 527159567 /nfs/dbraw/zinc/15/95/67/527159567.db2.gz CFUKVMBZRXIBBF-VXGBXAGGSA-N -1 0 365.480 3.553 50 30 FHEARM O=C([O-])c1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004859794 570551822 /nfs/dbraw/zinc/55/18/22/570551822.db2.gz KYCXKIJFPCVASP-YBFXNURJSA-N -1 0 351.318 3.999 50 30 FHEARM COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000004870670 570553435 /nfs/dbraw/zinc/55/34/35/570553435.db2.gz VCJXFIOWKVEYNF-IBGZPJMESA-N -1 0 367.401 3.501 50 30 FHEARM Cc1cccc(/N=C2\S[C@@H](CC(=O)[O-])C(=O)N2c2cccc(C)c2)c1 ZINC000005710763 570633503 /nfs/dbraw/zinc/63/35/03/570633503.db2.gz OQOAASGKEJNYLX-JVMRMLDLSA-N -1 0 354.431 3.914 50 30 FHEARM O=c1c(N=Nc2ccc(O)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000012376578 570740501 /nfs/dbraw/zinc/74/05/01/570740501.db2.gz XVXCJDGUTVNNMM-ATJXCDBQSA-N -1 0 356.385 3.611 50 30 FHEARM COc1ccc(-c2nc(NCc3ccc(F)c(C)c3)[n-]c(=O)c2C#N)cc1 ZINC000040130035 571082025 /nfs/dbraw/zinc/08/20/25/571082025.db2.gz XFFPJUSDMSGECM-UHFFFAOYSA-N -1 0 364.380 3.789 50 30 FHEARM C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)SC1=S ZINC000004711857 571167978 /nfs/dbraw/zinc/16/79/78/571167978.db2.gz PGGZONIZEUWYFV-PTNGSMBKSA-N -1 0 370.455 3.563 50 30 FHEARM C[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-] ZINC000253621730 571174205 /nfs/dbraw/zinc/17/42/05/571174205.db2.gz PBKZPPIHUVSDNM-GOLQWDRCSA-N -1 0 358.478 3.890 50 30 FHEARM COc1cc(C=NNc2ccc(Br)cc2)cc([N+](=O)[O-])c1[O-] ZINC000036148259 571243472 /nfs/dbraw/zinc/24/34/72/571243472.db2.gz ODHDJYCIVRSPLF-LZYBPNLTSA-N -1 0 366.171 3.518 50 30 FHEARM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)cc2)CC1 ZINC000078869019 571326327 /nfs/dbraw/zinc/32/63/27/571326327.db2.gz NLJKEZXIHSQBJO-UHFFFAOYSA-N -1 0 373.453 3.734 50 30 FHEARM CC(C)C(O)=C1C(=O)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000057878127 571345795 /nfs/dbraw/zinc/34/57/95/571345795.db2.gz VTWLZJNCEFUYFH-QGZVFWFLSA-N -1 0 365.385 3.510 50 30 FHEARM Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3[O-])cc(C#N)c2=O)cc1 ZINC000003251318 571346112 /nfs/dbraw/zinc/34/61/12/571346112.db2.gz DBAUJOKFSLRHRA-UHFFFAOYSA-N -1 0 364.788 3.608 50 30 aggregator FHEARM C=CCn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2[n-]c1=S ZINC000003630107 571351805 /nfs/dbraw/zinc/35/18/05/571351805.db2.gz XDAGHATXSKCXAK-UHFFFAOYSA-N -1 0 369.490 3.865 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3F)s2)C(=O)O1 ZINC000102500439 939090224 /nfs/dbraw/zinc/09/02/24/939090224.db2.gz QOFFQFORTBLQEZ-JHTBKMLMSA-N -1 0 356.374 3.782 50 30 FHEARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000000708325 210263489 /nfs/dbraw/zinc/26/34/89/210263489.db2.gz GNQRCMMRCGJTNZ-ZJYNUGOYSA-N -1 0 374.849 3.946 50 30 FHEARM C=C(Cl)CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000001713706 210149407 /nfs/dbraw/zinc/14/94/07/210149407.db2.gz KQTCMVGXIBTFSI-UHFFFAOYSA-N -1 0 365.838 3.641 50 30 FHEARM C=CCn1c([C@H](NC(=O)c2ccccc2Cl)C(C)C)n[nH]c1=S ZINC000005901837 210105528 /nfs/dbraw/zinc/10/55/28/210105528.db2.gz IQYBKUYVPADGMM-CYBMUJFWSA-N -1 0 350.875 3.907 50 30 FHEARM C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000005690184 210105041 /nfs/dbraw/zinc/10/50/41/210105041.db2.gz SPOHOLGIFJAILQ-INIZCTEOSA-N -1 0 359.451 3.509 50 30 FHEARM C=CCn1c([C@@H](NC(=O)c2ccccc2Cl)C(C)C)n[nH]c1=S ZINC000005901795 210105001 /nfs/dbraw/zinc/10/50/01/210105001.db2.gz IQYBKUYVPADGMM-ZDUSSCGKSA-N -1 0 350.875 3.907 50 30 FHEARM N#Cc1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000013580071 220075949 /nfs/dbraw/zinc/07/59/49/220075949.db2.gz QEJQEUCGELQSKT-CYBMUJFWSA-N -1 0 354.431 3.696 50 30 FHEARM COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(CC(=O)[O-])cc3)C2)cc1 ZINC000018122584 211192619 /nfs/dbraw/zinc/19/26/19/211192619.db2.gz MXBLUDAOWUPHQF-INIZCTEOSA-N -1 0 351.402 3.765 50 30 FHEARM C[C@@H]1CCc2c(C#N)c(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC000013255074 211028198 /nfs/dbraw/zinc/02/81/98/211028198.db2.gz SBGIFQHBXFKOGP-DOMZBBRYSA-N -1 0 368.458 3.942 50 30 FHEARM CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2O)c1 ZINC000002399264 210397301 /nfs/dbraw/zinc/39/73/01/210397301.db2.gz UEVFSZKMHGFGNO-YBFXNURJSA-N -1 0 354.435 3.983 50 30 FHEARM N#Cc1c(=O)[n-]c(SCc2c(F)cccc2Cl)nc1-c1ccco1 ZINC000019820833 220298829 /nfs/dbraw/zinc/29/88/29/220298829.db2.gz XGUCPAMWZPEGPO-UHFFFAOYSA-N -1 0 361.785 3.986 50 30 FHEARM S=c1[n-]nc(-c2ccccc2)n1N=Cc1cc2c(cc1Cl)OCO2 ZINC000001507673 210357772 /nfs/dbraw/zinc/35/77/72/210357772.db2.gz YXDOZDQUFNBPRG-QGMBQPNBSA-N -1 0 358.810 3.872 50 30 FHEARM O=S(=O)([N-]/N=C/c1ccccc1)c1cc(Cl)c(Cl)cc1Cl ZINC000001229076 210338108 /nfs/dbraw/zinc/33/81/08/210338108.db2.gz PRFFWPIVYGQYHF-CAOOACKPSA-N -1 0 363.653 3.959 50 30 FHEARM C/C(=N\NC(=S)NCc1ccco1)c1cc(Cl)cc(Cl)c1[O-] ZINC000001048257 210308539 /nfs/dbraw/zinc/30/85/39/210308539.db2.gz WARJZXZPDIMMBB-QGMBQPNBSA-N -1 0 358.250 3.680 50 30 FHEARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)s2)c1C ZINC000065031332 221165156 /nfs/dbraw/zinc/16/51/56/221165156.db2.gz BZAMSXASFHCMQL-UHFFFAOYSA-N -1 0 359.432 3.692 50 30 FHEARM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccc(C#N)cc1 ZINC000067805766 221288011 /nfs/dbraw/zinc/28/80/11/221288011.db2.gz JLOWWYNTNVQPBW-CYBMUJFWSA-N -1 0 364.430 3.603 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000101231686 222265067 /nfs/dbraw/zinc/26/50/67/222265067.db2.gz USSFDQLHRYNQHI-GHNGSUTGSA-N -1 0 351.377 3.742 50 30 FHEARM COc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000103483195 222336883 /nfs/dbraw/zinc/33/68/83/222336883.db2.gz RBJSQMCIWLAEDN-OAHLLOKOSA-N -1 0 362.385 3.699 50 30 FHEARM O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000102497210 222298449 /nfs/dbraw/zinc/29/84/49/222298449.db2.gz TUFCJRJHWYSTKJ-YDJIHCHBSA-N -1 0 370.408 3.704 50 30 FHEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)o1 ZINC000102803865 222308906 /nfs/dbraw/zinc/30/89/06/222308906.db2.gz ASLIIZSNVKRLJS-HVESIFNPSA-N -1 0 364.357 3.511 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2csc(-c3ccc(Cl)cc3)n2)C(=O)O1 ZINC000105640400 222372259 /nfs/dbraw/zinc/37/22/59/222372259.db2.gz YCWNWTIWLGLHOX-WLMCBFPDSA-N -1 0 373.817 3.692 50 30 FHEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@@H](C(=O)OC)CCC1=O ZINC000100740750 519983213 /nfs/dbraw/zinc/98/32/13/519983213.db2.gz NNENEEZZPNGAFR-YJBOKZPZSA-N -1 0 352.471 3.814 50 30 FHEARM COc1ccc(CN=Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1 ZINC000004174657 523447548 /nfs/dbraw/zinc/44/75/48/523447548.db2.gz CDUZKQXFDAEYNN-UDWIEESQSA-N -1 0 367.430 3.892 50 30 FHEARM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)o1)c1nnc2n1CCCCC2 ZINC000041509446 526507580 /nfs/dbraw/zinc/50/75/80/526507580.db2.gz JLQYKCGFFCHNLQ-OAHLLOKOSA-N -1 0 364.380 3.894 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000095628195 570470512 /nfs/dbraw/zinc/47/05/12/570470512.db2.gz REHATYIJSZJCCC-CYVLTUHYSA-N -1 0 357.211 3.640 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(C)cc2)no1 ZINC000008742649 570686675 /nfs/dbraw/zinc/68/66/75/570686675.db2.gz KCZCTFMCOSOXKV-KRWDZBQOSA-N -1 0 364.357 3.667 50 30 FHEARM O=c1c(N=Nc2ccccc2O)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000012376587 570740605 /nfs/dbraw/zinc/74/06/05/570740605.db2.gz RZVOKVQKBDAHCP-ATJXCDBQSA-N -1 0 356.385 3.611 50 30 FHEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000048506059 570956630 /nfs/dbraw/zinc/95/66/30/570956630.db2.gz FSYHIKNEFHCJEB-UHFFFAOYSA-N -1 0 362.838 3.631 50 30 FHEARM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000077881237 571140808 /nfs/dbraw/zinc/14/08/08/571140808.db2.gz GUQIYKFOIJLLKV-RDTXWAMCSA-N -1 0 359.447 3.738 50 30 FHEARM CCC(=O)[N-]S(=O)(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000096558720 571141741 /nfs/dbraw/zinc/14/17/41/571141741.db2.gz GDWZHKKCFQQBGJ-UHFFFAOYSA-N -1 0 373.356 3.899 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)cc2)cc1 ZINC000005959521 571169612 /nfs/dbraw/zinc/16/96/12/571169612.db2.gz YTLIVBOZCVXOJC-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM C=CCn1c(=O)c2ccccc2nc1SCc1ccc(C(=O)[O-])cc1 ZINC000013239148 571277130 /nfs/dbraw/zinc/27/71/30/571277130.db2.gz DNPXLWBUHMLZPJ-UHFFFAOYSA-N -1 0 352.415 3.573 50 30 FHEARM Oc1ccc2ccccc2c1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000252515449 571281984 /nfs/dbraw/zinc/28/19/84/571281984.db2.gz KBVZHFRLONMXBB-UHFFFAOYSA-N -1 0 354.373 3.811 50 30 FHEARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)c(C)s2)on1 ZINC000075435317 571319910 /nfs/dbraw/zinc/31/99/10/571319910.db2.gz FWALOWAHEUKJSY-UHFFFAOYSA-N -1 0 359.432 3.692 50 30 FHEARM COc1ccc(/C=C/C(=O)c2c([O-])ccc3c(C)cc(=O)oc32)cc1OC ZINC000038175896 571359206 /nfs/dbraw/zinc/35/92/06/571359206.db2.gz UJNOJIPDRNVLCM-QPJJXVBHSA-N -1 0 366.369 3.720 50 30 FHEARM O=[N+]([O-])c1ccc(N=NCc2sc3ccccc3c2[O-])c([N+](=O)[O-])c1 ZINC000004844262 935776892 /nfs/dbraw/zinc/77/68/92/935776892.db2.gz SILUEXULBQRHTF-LZYBPNLTSA-N -1 0 358.335 3.869 50 30 FHEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc(C(C)C)cc4)c3=O)c2c1 ZINC000002288475 219435939 /nfs/dbraw/zinc/43/59/39/219435939.db2.gz JMFPMYKWSRZFID-SSDVNMTOSA-N -1 0 360.417 3.897 50 30 FHEARM C=C(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560900 219449363 /nfs/dbraw/zinc/44/93/63/219449363.db2.gz YUPPKUMKKSBZRL-IBGZPJMESA-N -1 0 351.402 3.945 50 30 FHEARM CCOc1ccc(/C=C/C(=O)c2c([O-])c3ccccc3oc2=O)cc1OC ZINC000004715991 219599813 /nfs/dbraw/zinc/59/98/13/219599813.db2.gz YNDIUXOOGFFNNE-CSKARUKUSA-N -1 0 366.369 3.802 50 30 biogenic FHEARM Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/[O-])c1 ZINC000015988021 220174719 /nfs/dbraw/zinc/17/47/19/220174719.db2.gz KJVZQBPFMPUQEW-GIJQJNRQSA-N -1 0 363.211 3.583 50 30 FHEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/[C@H]4[C@H](C)C=C(C)C[C@H]4C)c3=O)c2c1 ZINC000017112535 220204466 /nfs/dbraw/zinc/20/44/66/220204466.db2.gz NCQAORGGTQHOSV-YVFRDIDPSA-N -1 0 364.449 3.964 50 30 FHEARM COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(CC(=O)[O-])cc3)C2)cc1 ZINC000018122586 220225812 /nfs/dbraw/zinc/22/58/12/220225812.db2.gz MXBLUDAOWUPHQF-MRXNPFEDSA-N -1 0 351.402 3.765 50 30 FHEARM CC[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)OC(C)C ZINC000021658756 220361730 /nfs/dbraw/zinc/36/17/30/220361730.db2.gz NUJFKNRIQOCSNU-AWEZNQCLSA-N -1 0 357.435 3.543 50 30 FHEARM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041544100 220932391 /nfs/dbraw/zinc/93/23/91/220932391.db2.gz NCSPCPFNSDCVKF-AWEZNQCLSA-N -1 0 358.357 3.512 50 30 FHEARM N#Cc1c2[nH]c(=O)cc([O-])c2sc1SCCCOc1ccccc1 ZINC000065363483 221202533 /nfs/dbraw/zinc/20/25/33/221202533.db2.gz XGDKHBHNBVJCFM-UHFFFAOYSA-N -1 0 358.444 3.728 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000101247407 222266456 /nfs/dbraw/zinc/26/64/56/222266456.db2.gz XKKYMAJJHDZDJO-HVESIFNPSA-N -1 0 353.805 3.948 50 30 FHEARM O=c1c(N=Nc2ccccc2O)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000100005872 222231941 /nfs/dbraw/zinc/23/19/41/222231941.db2.gz RZVOKVQKBDAHCP-BSYVCWPDSA-N -1 0 356.385 3.611 50 30 FHEARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C#N)c1=O ZINC000100672527 222249672 /nfs/dbraw/zinc/24/96/72/222249672.db2.gz GSUTZTCEGPTAEB-UHFFFAOYSA-N -1 0 361.401 3.631 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000101231705 222264397 /nfs/dbraw/zinc/26/43/97/222264397.db2.gz UJTVIKMRNQNSLS-LFVOPCPISA-N -1 0 363.413 3.611 50 30 FHEARM C[C@H]1CC[C@](C#N)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172615 222265583 /nfs/dbraw/zinc/26/55/83/222265583.db2.gz QMTTTYCGJUXRGP-AOMKIAJQSA-N -1 0 359.429 3.928 50 30 FHEARM CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@@H]2c2ccc(C(=O)[O-])cc2)C1 ZINC000102453375 222298089 /nfs/dbraw/zinc/29/80/89/222298089.db2.gz HISYTRKLYGQWAA-QGZVFWFLSA-N -1 0 362.389 3.761 50 30 FHEARM O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000102874313 222312198 /nfs/dbraw/zinc/31/21/98/222312198.db2.gz QNKQKNXWQCIHQG-WOOAAIBNSA-N -1 0 374.371 3.847 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2O)cc1 ZINC000002222294 263144924 /nfs/dbraw/zinc/14/49/24/263144924.db2.gz NWWSZVFKMYUSOD-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000005408645 263340987 /nfs/dbraw/zinc/34/09/87/263340987.db2.gz MCCBCQKQPJJHNV-WOJGMQOQSA-N -1 0 369.406 3.797 50 30 FHEARM C=CCSc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000030530182 263390963 /nfs/dbraw/zinc/39/09/63/263390963.db2.gz ZFGRSIKSVLLNAS-UHFFFAOYSA-N -1 0 364.448 3.982 50 30 FHEARM CC(=O)OC[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@H](C(=O)[O-])[C@@]3(C)CC[C@H]12 ZINC000254712722 519756780 /nfs/dbraw/zinc/75/67/80/519756780.db2.gz HOGUPSMVUUERKH-NVLJRBADSA-N -1 0 374.477 3.762 50 30 FHEARM N#Cc1c(=O)[n-]c(-c2ccc3c(c2)OCO3)cc1-c1ccc(Cl)cc1 ZINC000004576492 560198713 /nfs/dbraw/zinc/19/87/13/560198713.db2.gz FQGIPQRBIWLVQJ-UHFFFAOYSA-N -1 0 350.761 3.963 50 30 biogenic,in-vitro FHEARM COC(=O)C[C@H](c1ccc(F)c(F)c1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000218257272 568224798 /nfs/dbraw/zinc/22/47/98/568224798.db2.gz KDIPKYAWTYZYJO-CYBMUJFWSA-N -1 0 372.323 3.503 50 30 FHEARM COc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000095215269 570451730 /nfs/dbraw/zinc/45/17/30/570451730.db2.gz MWCJPMVNVHSCLY-DARPEHSRSA-N -1 0 370.412 3.914 50 30 FHEARM NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(Cl)c1Cl ZINC000005012143 570574955 /nfs/dbraw/zinc/57/49/55/570574955.db2.gz XCPSTYGLLGADCL-UHFFFAOYSA-N -1 0 359.216 3.586 50 30 FHEARM CC(=O)[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1(C)C ZINC000158777100 570610337 /nfs/dbraw/zinc/61/03/37/570610337.db2.gz NGHDWQXHDHPJHL-HRCADAONSA-N -1 0 350.418 3.619 50 30 FHEARM O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=N/[O-])cc1 ZINC000006926348 570657326 /nfs/dbraw/zinc/65/73/26/570657326.db2.gz VLSMBGNFEFYAEZ-LZYBPNLTSA-N -1 0 351.156 3.744 50 30 FHEARM Cc1ccccc1S(=O)(=O)[N-]C(=O)COCc1ccccc1Cl ZINC000048426617 570954891 /nfs/dbraw/zinc/95/48/91/570954891.db2.gz ZWMXLYLRUQUIOE-UHFFFAOYSA-N -1 0 353.827 3.510 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(N(C)C)cc2)cc1 ZINC000005809168 570969260 /nfs/dbraw/zinc/96/92/60/570969260.db2.gz QFMUTYKVCBHCQA-DEDYPNTBSA-N -1 0 367.478 3.955 50 30 FHEARM O=c1[n-]c(NN=Cc2c(Cl)cccc2Cl)nnc1-c1ccccc1 ZINC000033377587 571065082 /nfs/dbraw/zinc/06/50/82/571065082.db2.gz ALAICRABIBNBPB-DJKKODMXSA-N -1 0 360.204 3.997 50 30 FHEARM CCN(Cc1ccccc1)c1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000040122658 571081304 /nfs/dbraw/zinc/08/13/04/571081304.db2.gz WSNNCYHLUMKLBW-UHFFFAOYSA-N -1 0 360.417 3.756 50 30 FHEARM CCC(=O)[N-]S(=O)(=O)c1cccnc1Nc1cccc(Cl)c1C ZINC000005791890 571111723 /nfs/dbraw/zinc/11/17/23/571111723.db2.gz XRZKZSBBKCRBNB-UHFFFAOYSA-N -1 0 353.831 3.842 50 30 FHEARM CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21 ZINC000003784120 571121477 /nfs/dbraw/zinc/12/14/77/571121477.db2.gz HIFJCPQKFCZDDL-GBSCXWAGSA-N -1 0 360.494 3.541 50 30 fda FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2[n-]c1=S ZINC000010323174 571125185 /nfs/dbraw/zinc/12/51/85/571125185.db2.gz FZQGORRPNORVJZ-UHFFFAOYSA-N -1 0 373.384 3.776 50 30 FHEARM C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(C2CCCCC2)cc1 ZINC000006157883 571138451 /nfs/dbraw/zinc/13/84/51/571138451.db2.gz KYQDZXGCFSPFJL-YQODDJSKSA-N -1 0 373.478 3.521 50 30 FHEARM C=C(C)COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])cc1OC ZINC000004171427 571356438 /nfs/dbraw/zinc/35/64/38/571356438.db2.gz HRVJZDILYYJOBT-GZTJUZNOSA-N -1 0 367.401 3.506 50 30 biogenic FHEARM O=C([O-])c1cc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)ccc1O ZINC000001233802 219391442 /nfs/dbraw/zinc/39/14/42/219391442.db2.gz IWKCAZZNYAEPEY-FRKPEAEDSA-N -1 0 365.139 3.512 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(OC)ccc2OC)cc1 ZINC000001295045 219393416 /nfs/dbraw/zinc/39/34/16/219393416.db2.gz UNLXYALPORZJNC-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)S2)c(C)c1 ZINC000005376841 219674554 /nfs/dbraw/zinc/67/45/54/219674554.db2.gz LWHBAHKNWNJTQG-YBEGLDIGSA-N -1 0 352.415 3.893 50 30 FHEARM O=C([O-])c1cccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c1 ZINC000005866806 219703466 /nfs/dbraw/zinc/70/34/66/219703466.db2.gz YDLJPHPKRGHXSO-NTEUORMPSA-N -1 0 358.806 3.930 50 30 FHEARM CCCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC000013344212 220064972 /nfs/dbraw/zinc/06/49/72/220064972.db2.gz SLJCMWHUAFMQHZ-ONNFQVAWSA-N -1 0 370.401 3.844 50 30 FHEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/[C@H]4[C@H](C)C=C(C)C[C@@H]4C)c3=O)c2c1 ZINC000017112538 220205861 /nfs/dbraw/zinc/20/58/61/220205861.db2.gz NCQAORGGTQHOSV-HEGMCXQOSA-N -1 0 364.449 3.964 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N2CCCCC2)cc1 ZINC000100209994 132232408 /nfs/dbraw/zinc/23/24/08/132232408.db2.gz DSYREIBSXSWHSJ-BSYVCWPDSA-N -1 0 361.449 3.868 50 30 FHEARM O=[N+]([O-])c1cc2oc3c(c2c(/C=N\Cc2ccncc2)c1[O-])CCCC3 ZINC000095545623 221960208 /nfs/dbraw/zinc/96/02/08/221960208.db2.gz NARWFDHOCNXDML-NHDPSOOVSA-N -1 0 351.362 3.940 50 30 FHEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccco1 ZINC000096336101 222116226 /nfs/dbraw/zinc/11/62/26/222116226.db2.gz TWVHAYVMYNHOJY-AWEZNQCLSA-N -1 0 370.361 3.658 50 30 FHEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000101231701 222265761 /nfs/dbraw/zinc/26/57/61/222265761.db2.gz UJTVIKMRNQNSLS-WOOAAIBNSA-N -1 0 363.413 3.611 50 30 FHEARM COc1cc(/C=C2/CCOc3c(C)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000098004199 222220335 /nfs/dbraw/zinc/22/03/35/222220335.db2.gz DVWZHINXQASZHP-JYRVWZFOSA-N -1 0 355.346 3.666 50 30 FHEARM COC(=O)[C@@H]1C([O-])=C(C(C)=Nc2cccc3ccccc32)C(=O)CC1(C)C ZINC000100281829 222240973 /nfs/dbraw/zinc/24/09/73/222240973.db2.gz XAPWKYSDNTYLLY-BIRYMOPTSA-N -1 0 365.429 3.883 50 30 FHEARM CCCCCCCC[N-]C(=S)SCC(=O)N(CCC#N)CCC#N ZINC000100684577 222248873 /nfs/dbraw/zinc/24/88/73/222248873.db2.gz PVTMRBOPXXVMSQ-UHFFFAOYSA-N -1 0 368.572 3.611 50 30 FHEARM CCN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100936748 222257474 /nfs/dbraw/zinc/25/74/74/222257474.db2.gz JZHZQCPUCYHPQS-NIPZQEADSA-N -1 0 368.414 3.714 50 30 FHEARM N#CC(C(=O)NCCc1ccccc1)=C([O-])c1cc2cc(Cl)ccc2o1 ZINC000103504315 222338556 /nfs/dbraw/zinc/33/85/56/222338556.db2.gz KVRJNESYJASARH-INIZCTEOSA-N -1 0 366.804 3.768 50 30 FHEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)ccc1O ZINC000001478871 520645035 /nfs/dbraw/zinc/64/50/35/520645035.db2.gz DARMOOFSZFZRDG-YBFXNURJSA-N -1 0 354.435 3.903 50 30 FHEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)c1O ZINC000006080540 521317558 /nfs/dbraw/zinc/31/75/58/521317558.db2.gz WINPXFLBGOPDED-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM COc1ccc(C(=O)CC(=Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000001883513 523535593 /nfs/dbraw/zinc/53/55/93/523535593.db2.gz JIMJUMPNZIVAAK-GDNBJRDFSA-N -1 0 365.307 3.977 50 30 FHEARM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000004050833 525430752 /nfs/dbraw/zinc/43/07/52/525430752.db2.gz QMXFWKGGHQEDMZ-UHFFFAOYSA-N -1 0 363.826 3.791 50 30 FHEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)[C@H]1C[C@H]1C1CCCCC1 ZINC000076767199 527159758 /nfs/dbraw/zinc/15/97/58/527159758.db2.gz CFUKVMBZRXIBBF-RYUDHWBXSA-N -1 0 365.480 3.553 50 30 FHEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(I)cc2)c1 ZINC000254749498 527370125 /nfs/dbraw/zinc/37/01/25/527370125.db2.gz GDYAMKYKYQKABR-UHFFFAOYSA-N -1 0 368.130 3.656 50 30 FHEARM COC(=O)C[C@@H](c1ccc(F)c(F)c1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000218257332 568224855 /nfs/dbraw/zinc/22/48/55/568224855.db2.gz KDIPKYAWTYZYJO-ZDUSSCGKSA-N -1 0 372.323 3.503 50 30 FHEARM C=CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000036914701 570524303 /nfs/dbraw/zinc/52/43/03/570524303.db2.gz FNCSRFHDUZYOCR-OAQYLSRUSA-N -1 0 351.402 3.945 50 30 FHEARM CC(=O)[N-]S(=O)(=O)c1cnccc1Nc1ccc(Cl)c(Cl)c1 ZINC000033755875 570582035 /nfs/dbraw/zinc/58/20/35/570582035.db2.gz APNNSZPSMMPVEP-UHFFFAOYSA-N -1 0 360.222 3.797 50 30 FHEARM CCN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000033928405 570633642 /nfs/dbraw/zinc/63/36/42/570633642.db2.gz GPLCMLXYYMNWKL-DOXJHMMXSA-N -1 0 368.414 3.714 50 30 FHEARM O=C([O-])C[C@@H]1SC(=Nc2ccc(Cl)cc2C(F)(F)F)NC1=O ZINC000005630898 570682867 /nfs/dbraw/zinc/68/28/67/570682867.db2.gz DNMRZNDKUVMIFG-QMMMGPOBSA-N -1 0 352.721 3.893 50 30 FHEARM CCc1ccc(-n2c(O)c(C=Nc3ccccc3)c(=O)[n-]c2=S)cc1 ZINC000101576700 570821513 /nfs/dbraw/zinc/82/15/13/570821513.db2.gz GTHIWDPIKPYESF-UDWIEESQSA-N -1 0 351.431 3.914 50 30 FHEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccs2)o1 ZINC000009329342 571105117 /nfs/dbraw/zinc/10/51/17/571105117.db2.gz IIXWBMIYCIZVFB-HNNXBMFYSA-N -1 0 370.386 3.729 50 30 FHEARM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c3c2CCC3)cc1 ZINC000041560235 571113139 /nfs/dbraw/zinc/11/31/39/571113139.db2.gz HLMCJXLDTSQZPY-GOSISDBHSA-N -1 0 371.444 3.566 50 30 FHEARM C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000257356517 571163697 /nfs/dbraw/zinc/16/36/97/571163697.db2.gz IRQUJNVGEAJGSD-LBCLVRHKSA-N -1 0 374.477 3.905 50 30 FHEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=Nc2ccc3n[nH]cc3c2)c1 ZINC000002062577 571232060 /nfs/dbraw/zinc/23/20/60/571232060.db2.gz DSZJQFGBQZFCDN-UHFFFAOYSA-N -1 0 361.155 3.690 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)CC[C@@H](C)C3)n1 ZINC000006654232 571239540 /nfs/dbraw/zinc/23/95/40/571239540.db2.gz LUAOTVHKSNPFGF-ZWNOBZJWSA-N -1 0 374.487 3.671 50 30 FHEARM COc1ccccc1C=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000252591395 571284018 /nfs/dbraw/zinc/28/40/18/571284018.db2.gz BBAAQKXHXDYSKO-UHFFFAOYSA-N -1 0 367.430 3.642 50 30 FHEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3c(c2)OCO3)c1[O-] ZINC000002309928 571317530 /nfs/dbraw/zinc/31/75/30/571317530.db2.gz KAADUPAVVYVWFP-OMCISZLKSA-N -1 0 365.139 3.542 50 30 FHEARM O=C([N-]NC(=O)c1cccc(Cl)c1)c1ncsc1Br ZINC000328592533 571323662 /nfs/dbraw/zinc/32/36/62/571323662.db2.gz LVQLIMIHIWAFOQ-UHFFFAOYSA-N -1 0 360.620 3.783 50 30 FHEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3C)cc2[n-]c1=S ZINC000016504537 220186737 /nfs/dbraw/zinc/18/67/37/220186737.db2.gz MBYARYFCXRAUHB-UHFFFAOYSA-N -1 0 351.431 3.806 50 30 FHEARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1-c1ccno1 ZINC000064845137 221153222 /nfs/dbraw/zinc/15/32/22/221153222.db2.gz MUPNSNJHAGVHPI-UHFFFAOYSA-N -1 0 359.432 3.692 50 30 FHEARM N#CC(C(=O)NCCc1ccccc1)=C([O-])c1cc2cc(Cl)ccc2o1 ZINC000103504318 222337659 /nfs/dbraw/zinc/33/76/59/222337659.db2.gz KVRJNESYJASARH-MRXNPFEDSA-N -1 0 366.804 3.768 50 30 FHEARM CC(=NC(=N)Nc1nc(C)c2cc(C)ccc2n1)c1ccccc1C(=O)[O-] ZINC000101432883 222274240 /nfs/dbraw/zinc/27/42/40/222274240.db2.gz MYOCWKJGARYFFI-UUYOSTAYSA-N -1 0 361.405 3.801 50 30 FHEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccccc2)no1 ZINC000102804962 222308310 /nfs/dbraw/zinc/30/83/10/222308310.db2.gz WOBQVFUSKVFRSL-IBOXJLQUSA-N -1 0 366.398 3.671 50 30 FHEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@H](C(=O)OC)CCC1=O ZINC000100740751 519984027 /nfs/dbraw/zinc/98/40/27/519984027.db2.gz NNENEEZZPNGAFR-CRAIPNDOSA-N -1 0 352.471 3.814 50 30 FHEARM Cc1nn(CCC(=O)[O-])c(C)c1/C=C/C(=O)c1cccc(C(F)(F)F)c1 ZINC000058300421 526279395 /nfs/dbraw/zinc/27/93/95/526279395.db2.gz KDLMJDGGTKQNMV-VOTSOKGWSA-N -1 0 366.339 3.890 50 30 FHEARM N#CC(=C([O-])c1ccc(N2CCCCC2=O)cc1)c1nc2ccccc2o1 ZINC000041543368 526507768 /nfs/dbraw/zinc/50/77/68/526507768.db2.gz IZVROQJJHDNSTC-MRXNPFEDSA-N -1 0 359.385 3.835 50 30 FHEARM N#CC1CCN(Cc2cc(-c3cccs3)ccc2OCC(=O)[O-])CC1 ZINC000097766502 570494072 /nfs/dbraw/zinc/49/40/72/570494072.db2.gz ZDPILMCHEHJVRR-UHFFFAOYSA-N -1 0 356.447 3.614 50 30 FHEARM Oc1ccc2ccccc2c1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000004536408 570595676 /nfs/dbraw/zinc/59/56/76/570595676.db2.gz KBVZHFRLONMXBB-SRZZPIQSSA-N -1 0 354.373 3.811 50 30 FHEARM [O-]c1c(Br)cc(Br)cc1C=NNc1ccccn1 ZINC000004981793 570615579 /nfs/dbraw/zinc/61/55/79/570615579.db2.gz YKUIVMWLVDCBDY-FRKPEAEDSA-N -1 0 371.032 3.758 50 30 FHEARM C=CCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(C)c(Cl)c2)C1=O ZINC000005173474 570628566 /nfs/dbraw/zinc/62/85/66/570628566.db2.gz YYQCVYRKFYHACP-WJDWOHSUSA-N -1 0 368.820 3.675 50 30 FHEARM Cc1cccc(/N=C2\S[C@H](CC(=O)[O-])C(=O)N2c2cccc(C)c2)c1 ZINC000005710765 570633357 /nfs/dbraw/zinc/63/33/57/570633357.db2.gz OQOAASGKEJNYLX-DVSFIDLUSA-N -1 0 354.431 3.914 50 30 FHEARM Cc1cccc(OCCSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c1 ZINC000005238204 570638508 /nfs/dbraw/zinc/63/85/08/570638508.db2.gz UTWDWUMQRSWLGX-UHFFFAOYSA-N -1 0 363.442 3.788 50 30 FHEARM Cc1ccc(/N=C2\S[C@@H](CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000025558498 570997345 /nfs/dbraw/zinc/99/73/45/570997345.db2.gz HMTMTHUUFQSRFI-JVMRMLDLSA-N -1 0 354.431 3.914 50 30 FHEARM COc1cc(-c2ncnn2-c2sc3c(c2C#N)CCCCC3)ccc1O ZINC000002501423 571054106 /nfs/dbraw/zinc/05/41/06/571054106.db2.gz KVTCTMORAISVOY-UHFFFAOYSA-N -1 0 366.446 3.851 50 30 FHEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2OCC)c1=O ZINC000012414627 571096155 /nfs/dbraw/zinc/09/61/55/571096155.db2.gz IXDCMPOTRYLHOJ-UHFFFAOYSA-N -1 0 364.401 3.544 50 30 FHEARM Cc1ccc2c(c1)C(=N[O-])C(=O)[N+]2CCOc1ccc(C(C)(C)C)cc1 ZINC000343516931 571142129 /nfs/dbraw/zinc/14/21/29/571142129.db2.gz JTLUQNTUWMXPJD-UHFFFAOYSA-N -1 0 352.434 3.862 50 30 FHEARM CC(C)OP(=O)(OC(C)C)/C(=N/[N-]c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000006190590 571157978 /nfs/dbraw/zinc/15/79/78/571157978.db2.gz QRAWOXZQYSLQIV-FYWRMAATSA-N -1 0 374.290 3.598 50 30 FHEARM O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)ccc1[O-] ZINC000004771148 571233908 /nfs/dbraw/zinc/23/39/08/571233908.db2.gz WCAYFKKSHNUPEM-HNQUOIGGSA-N -1 0 361.737 3.716 50 30 FHEARM N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000170651712 571282555 /nfs/dbraw/zinc/28/25/55/571282555.db2.gz SXUOHLXJRFDHLD-UHFFFAOYSA-N -1 0 374.278 3.585 50 30 FHEARM N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)c1 ZINC000263501125 600482755 /nfs/dbraw/zinc/48/27/55/600482755.db2.gz SZBDVEKGQVLOBM-HNNXBMFYSA-N -1 0 365.389 3.679 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000136120737 941419268 /nfs/dbraw/zinc/41/92/68/941419268.db2.gz KADXIEVUTMPVRW-IBGZPJMESA-N -1 0 362.820 3.923 50 30 FHEARM Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000047168534 944764503 /nfs/dbraw/zinc/76/45/03/944764503.db2.gz DGAXVRBJTQNUFC-WCIBSUBMSA-N -1 0 362.385 3.593 50 30 FHEARM COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000005881211 219704044 /nfs/dbraw/zinc/70/40/44/219704044.db2.gz IWMFBNHAWNXIBA-VBYYMIJXSA-N -1 0 356.399 3.877 50 30 FHEARM Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])c([O-])c3)S2)c1 ZINC000018009793 220221831 /nfs/dbraw/zinc/22/18/31/220221831.db2.gz NDWJTMRJQVFWIE-SXGWCWSVSA-N -1 0 369.402 3.809 50 30 FHEARM Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)no1 ZINC000102734353 222306556 /nfs/dbraw/zinc/30/65/56/222306556.db2.gz DESJVPRUNHJPOT-LFVOPCPISA-N -1 0 374.396 3.918 50 30 FHEARM Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)no1 ZINC000102734355 222306645 /nfs/dbraw/zinc/30/66/45/222306645.db2.gz DESJVPRUNHJPOT-WOOAAIBNSA-N -1 0 374.396 3.918 50 30 FHEARM CC[C@H](C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000048492966 263407026 /nfs/dbraw/zinc/40/70/26/263407026.db2.gz OBSABJQLHRCZIG-HNNXBMFYSA-N -1 0 363.435 3.543 50 30 FHEARM CCCCCCCCCCCCCC(=O)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000008431504 519988109 /nfs/dbraw/zinc/98/81/09/519988109.db2.gz OXJQACOKRNXYOY-UHFFFAOYSA-N -1 0 366.502 3.673 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(OC)c2)cc1 ZINC000002233004 520813652 /nfs/dbraw/zinc/81/36/52/520813652.db2.gz KEAZTTCDHLNMBY-YBFXNURJSA-N -1 0 370.434 3.603 50 30 FHEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533797 525312787 /nfs/dbraw/zinc/31/27/87/525312787.db2.gz RLZYCYTZQGHRMD-LHZXLZLDSA-N -1 0 373.493 3.933 50 30 FHEARM C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000252695108 525348998 /nfs/dbraw/zinc/34/89/98/525348998.db2.gz VDYLVWGBLQNNAW-AXLGXQGVSA-N -1 0 361.482 3.767 50 30 FHEARM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000050679401 526506219 /nfs/dbraw/zinc/50/62/19/526506219.db2.gz ZRTAJDZKXQJLFL-HNNXBMFYSA-N -1 0 354.381 3.857 50 30 FHEARM Cc1ncsc1/C=C1/CCc2cc(OC(C)(C)C(=O)[O-])ccc2C1=O ZINC000225423042 527474986 /nfs/dbraw/zinc/47/49/86/527474986.db2.gz ULZRVEONRIJTLZ-LCYFTJDESA-N -1 0 357.431 3.906 50 30 FHEARM Cc1cc([N+](=O)[O-])cc(/N=C/c2cc(Br)ccc2O)c1[O-] ZINC000095482074 570461821 /nfs/dbraw/zinc/46/18/21/570461821.db2.gz ZQRRJUYIOMBARV-FRKPEAEDSA-N -1 0 351.156 3.828 50 30 FHEARM COc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1 ZINC000005513507 570628940 /nfs/dbraw/zinc/62/89/40/570628940.db2.gz XUVNAXPFOYQJLR-LZYBPNLTSA-N -1 0 351.156 3.822 50 30 FHEARM C=CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583157 570629481 /nfs/dbraw/zinc/62/94/81/570629481.db2.gz FNCSRFHDUZYOCR-NRFANRHFSA-N -1 0 351.402 3.945 50 30 FHEARM FC(F)(F)c1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000004474842 570794717 /nfs/dbraw/zinc/79/47/17/570794717.db2.gz NMLRDCXDUQVPEO-ZVBGSRNCSA-N -1 0 356.311 3.971 50 30 FHEARM CCCC(CCC)=N/N=C1\S[C@H](CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000004482175 570797094 /nfs/dbraw/zinc/79/70/94/570797094.db2.gz QRLXYCSVTFXCGI-MEUCICPISA-N -1 0 361.467 3.922 50 30 FHEARM CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2O)C[C@@H]1c1ccc(OC)cc1 ZINC000034600538 570870037 /nfs/dbraw/zinc/87/00/37/570870037.db2.gz DXKGQBZQPLPKPY-NQIIRXRSSA-N -1 0 366.413 3.720 50 30 FHEARM O=C([O-])/C(=N\c1ccccc1C(=O)NCc1ccccc1)c1ccccc1 ZINC000020428747 570916164 /nfs/dbraw/zinc/91/61/64/570916164.db2.gz VHNXBORBYSLEKG-GFMRDNFCSA-N -1 0 358.397 3.822 50 30 FHEARM Cc1ccc(NC(=O)C(F)(F)F)cc1C([O-])(C(F)(F)F)C(F)(F)F ZINC000111925776 570943396 /nfs/dbraw/zinc/94/33/96/570943396.db2.gz OLYXAWPWPUELNL-UHFFFAOYSA-N -1 0 369.183 3.808 50 30 FHEARM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000048461601 570955703 /nfs/dbraw/zinc/95/57/03/570955703.db2.gz CMWGANSUPYXYBG-UHFFFAOYSA-N -1 0 367.467 3.854 50 30 FHEARM O=c1[n-]c(NN=Cc2ccc(C(F)(F)F)cc2)nnc1-c1ccccc1 ZINC000031843542 571056058 /nfs/dbraw/zinc/05/60/58/571056058.db2.gz SPPRTTIKODPYQA-FBHDLOMBSA-N -1 0 359.311 3.709 50 30 FHEARM N#Cc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000004714111 571168305 /nfs/dbraw/zinc/16/83/05/571168305.db2.gz UHRUIGULKBKQOC-DAFNUICNSA-N -1 0 365.396 3.777 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2)cc1 ZINC000005959529 571169591 /nfs/dbraw/zinc/16/95/91/571169591.db2.gz VWSJYOXIQULLOB-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2[O-])sc2c1CCC2 ZINC000001798775 571193940 /nfs/dbraw/zinc/19/39/40/571193940.db2.gz DLXCWHRBVRNYAP-GIJQJNRQSA-N -1 0 360.391 3.778 50 30 FHEARM O=C([O-])c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1 ZINC000004078414 571211117 /nfs/dbraw/zinc/21/11/17/571211117.db2.gz ADETWGWEVBDYEB-UDWIEESQSA-N -1 0 365.414 3.965 50 30 FHEARM Cc1ccc(/C=C2\SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000252622134 571288261 /nfs/dbraw/zinc/28/82/61/571288261.db2.gz NPOHFNZYOXEJRK-LQRSTDMYSA-N -1 0 352.415 3.927 50 30 FHEARM CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc(C(=O)[O-])cc2)CC(=O)O3)C1=O ZINC000217926865 571351633 /nfs/dbraw/zinc/35/16/33/571351633.db2.gz OKRUSGBVXGLKGE-AWEZNQCLSA-N -1 0 364.353 3.695 50 30 FHEARM COc1ccc(/C=C/C(=O)c2ccc(OC)c(CSCC(=O)[O-])c2)cc1 ZINC000005110221 219651736 /nfs/dbraw/zinc/65/17/36/219651736.db2.gz WGNNQPPRSCCUCX-WEVVVXLNSA-N -1 0 372.442 3.918 50 30 FHEARM CCOc1ccc(Br)cc1C=NNc1ccccc1C(=O)[O-] ZINC000011905643 219942278 /nfs/dbraw/zinc/94/22/78/219942278.db2.gz ZLKUEPPFEIEYHZ-VCHYOVAHSA-N -1 0 363.211 3.992 50 30 FHEARM COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1CSCC(=O)[O-] ZINC000012769690 220026806 /nfs/dbraw/zinc/02/68/06/220026806.db2.gz BOZNPSRXNUANPA-SOFGYWHQSA-N -1 0 367.426 3.781 50 30 FHEARM CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000036089889 220801998 /nfs/dbraw/zinc/80/19/98/220801998.db2.gz JZHZQCPUCYHPQS-DOXJHMMXSA-N -1 0 368.414 3.714 50 30 FHEARM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000048356454 221010006 /nfs/dbraw/zinc/01/00/06/221010006.db2.gz MCGGTWMWAPERRT-UHFFFAOYSA-N -1 0 371.443 3.916 50 30 FHEARM C[C@@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccc(C#N)cc1 ZINC000067805765 221288970 /nfs/dbraw/zinc/28/89/70/221288970.db2.gz JLOWWYNTNVQPBW-ZDUSSCGKSA-N -1 0 364.430 3.603 50 30 FHEARM N#Cc1c(N)nc(-c2cn(CC(=O)[O-])c3ccccc23)cc1-c1ccoc1 ZINC000071439915 221348898 /nfs/dbraw/zinc/34/88/98/221348898.db2.gz MCGKNOHPWIXHOO-UHFFFAOYSA-N -1 0 358.357 3.502 50 30 FHEARM [O-]c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000001093529 132380045 /nfs/dbraw/zinc/38/00/45/132380045.db2.gz MTTMXINXJKCCLI-XDHOZWIPSA-N -1 0 361.239 3.742 50 30 FHEARM CCCCCCCc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000100813245 222253990 /nfs/dbraw/zinc/25/39/90/222253990.db2.gz SHNMWMQDTKOPMB-UHFFFAOYSA-N -1 0 362.499 3.681 50 30 FHEARM COc1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2ccc(C)cc2)cc1 ZINC000102826866 222310466 /nfs/dbraw/zinc/31/04/66/222310466.db2.gz FKHPVKFNVCUDFZ-HAHDFKILSA-N -1 0 364.323 3.786 50 30 FHEARM O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102874316 222311877 /nfs/dbraw/zinc/31/18/77/222311877.db2.gz QNKQKNXWQCIHQG-LFVOPCPISA-N -1 0 374.371 3.847 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000005408642 263341040 /nfs/dbraw/zinc/34/10/40/263341040.db2.gz KPWFIMZKEHPGRH-WOJGMQOQSA-N -1 0 369.406 3.797 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000022357310 263386320 /nfs/dbraw/zinc/38/63/20/263386320.db2.gz IKKYNDVNLMORPQ-BTKRWWFXSA-N -1 0 360.822 3.538 50 30 FHEARM CC(=O)OC[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@H](C(=O)[O-])[C@]3(C)CC[C@H]12 ZINC000254712725 519756546 /nfs/dbraw/zinc/75/65/46/519756546.db2.gz HOGUPSMVUUERKH-UAOWYBJRSA-N -1 0 374.477 3.762 50 30 FHEARM CCN(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000095461491 520271574 /nfs/dbraw/zinc/27/15/74/520271574.db2.gz DRZKUDNSXNLTML-IBGZPJMESA-N -1 0 372.490 3.514 50 30 FHEARM CCc1nc(C(C#N)=C([O-])C=Cc2ccc(NC(C)=O)cc2)sc1C ZINC000098055136 522442762 /nfs/dbraw/zinc/44/27/62/522442762.db2.gz LEUPFHRJCKLHFN-BSDKJSHOSA-N -1 0 353.447 3.862 50 30 FHEARM COc1ccc(/C=C2/SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000252644091 523413625 /nfs/dbraw/zinc/41/36/25/523413625.db2.gz ZYXJLRFCQPKQBB-ZRHYCJNMSA-N -1 0 368.414 3.627 50 30 FHEARM O=C([O-])c1ccccc1NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000005555002 526396443 /nfs/dbraw/zinc/39/64/43/526396443.db2.gz OLKJTWGACSNCPM-YBFXNURJSA-N -1 0 351.318 3.999 50 30 FHEARM Cc1occc1C(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2)nc1 ZINC000104095908 526816021 /nfs/dbraw/zinc/81/60/21/526816021.db2.gz MMSWGCJKOINZGC-GOSISDBHSA-N -1 0 360.369 3.767 50 30 FHEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)cc1 ZINC000006056286 570640555 /nfs/dbraw/zinc/64/05/55/570640555.db2.gz FAKFWDFQYCYLFY-YBFXNURJSA-N -1 0 352.419 3.585 50 30 FHEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc(OC)c1OC ZINC000006166212 570642795 /nfs/dbraw/zinc/64/27/95/570642795.db2.gz HMDPJGYLPDGLRM-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2O)C[C@H]1c1ccc(OC)cc1 ZINC000034600536 570870137 /nfs/dbraw/zinc/87/01/37/570870137.db2.gz DXKGQBZQPLPKPY-RXVVDRJESA-N -1 0 366.413 3.720 50 30 FHEARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCc2ccc(C)cc2)cc1 ZINC000048472913 570955733 /nfs/dbraw/zinc/95/57/33/570955733.db2.gz AGLFQKMNAFKFQW-UHFFFAOYSA-N -1 0 359.447 3.866 50 30 FHEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2oc3cc(OC)ccc3c2C)C1 ZINC000091872997 571063496 /nfs/dbraw/zinc/06/34/96/571063496.db2.gz KCQBBQGTERHSNS-FQEVSTJZSA-N -1 0 357.406 3.633 50 30 FHEARM Cc1ccc(/C=C2/SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000252622135 571288243 /nfs/dbraw/zinc/28/82/43/571288243.db2.gz NPOHFNZYOXEJRK-ZRHYCJNMSA-N -1 0 352.415 3.927 50 30 FHEARM COc1ccc(N=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])cc1Cl ZINC000252624974 571288839 /nfs/dbraw/zinc/28/88/39/571288839.db2.gz PZVHPILFGDMDIL-UHFFFAOYSA-N -1 0 351.702 3.621 50 30 FHEARM Cc1ccc(N=C2S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000252629145 571289408 /nfs/dbraw/zinc/28/94/08/571289408.db2.gz TZGWKTSSVXOLLE-ZRHYCJNMSA-N -1 0 352.415 3.927 50 30 FHEARM Cc1nnc(NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[n-]c1=O ZINC000253534241 571318753 /nfs/dbraw/zinc/31/87/53/571318753.db2.gz VYDYNUHQXXRZGE-UHFFFAOYSA-N -1 0 357.458 3.632 50 30 FHEARM N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)cc1 ZINC000263508552 600479381 /nfs/dbraw/zinc/47/93/81/600479381.db2.gz WONJPIXKUSMOOA-HNNXBMFYSA-N -1 0 365.389 3.679 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)cc1OC ZINC000001258705 219392292 /nfs/dbraw/zinc/39/22/92/219392292.db2.gz SOMBXBTYQOUOBF-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000012376498 219985608 /nfs/dbraw/zinc/98/56/08/219985608.db2.gz WNATZJUNQNGPRL-ZJYNUGOYSA-N -1 0 374.849 3.946 50 30 FHEARM N#Cc1ccccc1S(=O)(=O)[N-]c1c2ccccc2nc2c1CCCC2 ZINC000012630263 220014233 /nfs/dbraw/zinc/01/42/33/220014233.db2.gz HYWGIIACLJVMFS-UHFFFAOYSA-N -1 0 363.442 3.786 50 30 FHEARM COc1ccc(-c2c(C)sc(NC(=O)/C=C(\C)C(=O)[O-])c2C#N)cc1 ZINC000017073584 220202658 /nfs/dbraw/zinc/20/26/58/220202658.db2.gz WLNWELBBMWZXHF-CSKARUKUSA-N -1 0 356.403 3.573 50 30 FHEARM COc1cc(-c2cc(-c3ccc([O-])c(Cl)c3)c(C#N)c(N)n2)ccc1O ZINC000067740472 221279292 /nfs/dbraw/zinc/27/92/92/221279292.db2.gz UOZSTURHRMJYGY-UHFFFAOYSA-N -1 0 367.792 3.943 50 30 FHEARM COc1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc(Cl)c1[O-] ZINC000071763194 221370103 /nfs/dbraw/zinc/37/01/03/221370103.db2.gz DXRSIQDUHHOLHV-UHFFFAOYSA-N -1 0 354.797 3.576 50 30 FHEARM COc1cc(/C=C2/Cc3c(cccc3O)C2=O)cc(Br)c1O ZINC000096931925 222142658 /nfs/dbraw/zinc/14/26/58/222142658.db2.gz YNADKTOPFFMODY-YHYXMXQVSA-N -1 0 361.191 3.691 50 30 FHEARM CC1(C)CC(=O)C(C(=O)Cc2ccccc2)=C(NCCCCCC(=O)[O-])C1 ZINC000018193007 263373188 /nfs/dbraw/zinc/37/31/88/263373188.db2.gz BWAQSWYGUWFHOW-UHFFFAOYSA-N -1 0 371.477 3.676 50 30 FHEARM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000124597799 263454732 /nfs/dbraw/zinc/45/47/32/263454732.db2.gz JFHPQARHIIJGOD-UHFFFAOYSA-N -1 0 351.211 3.866 50 30 FHEARM C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000253500046 525349771 /nfs/dbraw/zinc/34/97/71/525349771.db2.gz VDYLVWGBLQNNAW-BMRPHVGESA-N -1 0 361.482 3.767 50 30 FHEARM CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102437606 570832173 /nfs/dbraw/zinc/83/21/73/570832173.db2.gz ZDXMNKRPGNDGCI-XUMLYMLNSA-N -1 0 355.365 3.597 50 30 FHEARM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc([O-])c(Cl)c1 ZINC000024506196 570849189 /nfs/dbraw/zinc/84/91/89/570849189.db2.gz FNADQPLNASGSCV-UHFFFAOYSA-N -1 0 353.727 3.846 50 30 FHEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)COCc2ccccc2Cl)c1 ZINC000048472380 570955648 /nfs/dbraw/zinc/95/56/48/570955648.db2.gz KAFSSCRRRQUVHZ-UHFFFAOYSA-N -1 0 367.854 3.819 50 30 FHEARM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)COC2CCCCC2)c1 ZINC000048565936 570957627 /nfs/dbraw/zinc/95/76/27/570957627.db2.gz VVUVTKMEGARUKL-UHFFFAOYSA-N -1 0 362.451 3.538 50 30 FHEARM Oc1ccc(C=NN=c2nc(-c3ccccc3)c(-c3ccccc3)n[n-]2)cc1 ZINC000252622359 571288302 /nfs/dbraw/zinc/28/83/02/571288302.db2.gz NTQRIKNQVQNTLL-UHFFFAOYSA-N -1 0 367.412 3.779 50 30 FHEARM CCCC(CCC)=NN=C1S[C@@H](CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000252625900 571288963 /nfs/dbraw/zinc/28/89/63/571288963.db2.gz QRLXYCSVTFXCGI-HNNXBMFYSA-N -1 0 361.467 3.922 50 30 FHEARM CCc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(C#N)c(=O)[n-]c2C)c1C ZINC000077406507 571320991 /nfs/dbraw/zinc/32/09/91/571320991.db2.gz JPZGJBOLTQBZEX-UHFFFAOYSA-N -1 0 362.433 3.558 50 30 FHEARM Cc1cccc(-n2cc(C(=O)c3cc(Cl)ccc3[O-])cc(C#N)c2=O)c1 ZINC000003250996 571346132 /nfs/dbraw/zinc/34/61/32/571346132.db2.gz VZDDORRTNBZBBM-UHFFFAOYSA-N -1 0 364.788 3.608 50 30 aggregator FHEARM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000003631278 571351855 /nfs/dbraw/zinc/35/18/55/571351855.db2.gz NLGDTSWCMFEWJZ-HEHGZKQESA-N -1 0 371.506 3.800 50 30 FHEARM O=C([O-])COc1ccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000096792543 932150093 /nfs/dbraw/zinc/15/00/93/932150093.db2.gz RSJWOZMFWYAGCT-WAPJZHGLSA-N -1 0 361.737 3.608 50 30 FHEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1 ZINC000005861039 942316202 /nfs/dbraw/zinc/31/62/02/942316202.db2.gz ZARPCUZJHDFBAT-UHFFFAOYSA-N -1 0 364.788 3.608 50 30 FHEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C)cc1OC ZINC000001476012 219407731 /nfs/dbraw/zinc/40/77/31/219407731.db2.gz BMPMPAOVMYGMKD-YBFXNURJSA-N -1 0 354.435 3.816 50 30 FHEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/[C@H]4[C@@H](C)C=C(C)C[C@@H]4C)c3=O)c2c1 ZINC000008743547 219868736 /nfs/dbraw/zinc/86/87/36/219868736.db2.gz NCQAORGGTQHOSV-WBYXTZAVSA-N -1 0 364.449 3.964 50 30 FHEARM Cc1nnc(NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)[n-]c1=O ZINC000015016191 220141660 /nfs/dbraw/zinc/14/16/60/220141660.db2.gz UERPBIHDZPGCBH-DNTJNYDQSA-N -1 0 363.299 3.610 50 30 FHEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000054489154 221053474 /nfs/dbraw/zinc/05/34/74/221053474.db2.gz YZRNFBUPTNPDMH-UHFFFAOYSA-N -1 0 374.418 3.670 50 30 FHEARM COc1ccccc1/C=C\C(=O)c1ccc(OC)c(CSCC(=O)[O-])c1 ZINC000096891490 222136315 /nfs/dbraw/zinc/13/63/15/222136315.db2.gz RXZXFQLNBNJGBQ-CLFYSBASSA-N -1 0 372.442 3.918 50 30 FHEARM CC(C)(Oc1ccc2c(c1)CC/C(=C/c1cccc(O)c1)C2=O)C(=O)[O-] ZINC000098052668 222222056 /nfs/dbraw/zinc/22/20/56/222222056.db2.gz YEVJHWXOPBUQLT-GDNBJRDFSA-N -1 0 352.386 3.847 50 30 FHEARM CC(O)=CC(=O)c1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000100095911 222235412 /nfs/dbraw/zinc/23/54/12/222235412.db2.gz CCHDAJDCCLRZIH-FLIBITNWSA-N -1 0 355.419 3.963 50 30 FHEARM COc1ccccc1/C=C1\S/C(=N/c2cccc(C(=O)[O-])c2)N(C)C1=O ZINC000100260755 222240308 /nfs/dbraw/zinc/24/03/08/222240308.db2.gz JUQZSVKJWFINEH-NIPZQEADSA-N -1 0 368.414 3.627 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)O1 ZINC000105640061 222372208 /nfs/dbraw/zinc/37/22/08/222372208.db2.gz OFVYMERWRCFUDH-POZKEBTKSA-N -1 0 356.761 3.828 50 30 FHEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2OC)cc1 ZINC000005959535 517727511 /nfs/dbraw/zinc/72/75/11/517727511.db2.gz CXZCEZBYFKDYLM-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM CCOc1ccc(C([O-])=CC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000101355184 520872241 /nfs/dbraw/zinc/87/22/41/520872241.db2.gz VCIHNLGAEDARKR-WQRHYEAKSA-N -1 0 370.361 3.565 50 30 FHEARM COc1ccc(/C=C2\SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000252644090 523427963 /nfs/dbraw/zinc/42/79/63/523427963.db2.gz ZYXJLRFCQPKQBB-LQRSTDMYSA-N -1 0 368.414 3.627 50 30 FHEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)cc2OC)c1 ZINC000006007351 525719067 /nfs/dbraw/zinc/71/90/67/525719067.db2.gz GIKHOPYLLBANTF-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(OC)c1OC ZINC000001478055 570501304 /nfs/dbraw/zinc/50/13/04/570501304.db2.gz LMYJIBGEKYFRCA-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM O=C([O-])C[C@H]1S/C(=N\N=C2CCCCCC2)N(c2ccccc2)C1=O ZINC000004834150 570524647 /nfs/dbraw/zinc/52/46/47/570524647.db2.gz AYIUNZPZLKTQJH-MEUCICPISA-N -1 0 359.451 3.676 50 30 FHEARM O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1ccc(F)cc1 ZINC000005214282 570622334 /nfs/dbraw/zinc/62/23/34/570622334.db2.gz FZRYJXVHJVTGSH-IXJMWADBSA-N -1 0 361.829 3.643 50 30 FHEARM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)c1 ZINC000005907093 570638266 /nfs/dbraw/zinc/63/82/66/570638266.db2.gz YFUFPZWTMOROPX-YBFXNURJSA-N -1 0 370.434 3.516 50 30 FHEARM Cc1ccc(OCCSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238205 570638541 /nfs/dbraw/zinc/63/85/41/570638541.db2.gz JJBPWJLLMLOMLD-UHFFFAOYSA-N -1 0 363.442 3.788 50 30 FHEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Br ZINC000012413049 570743406 /nfs/dbraw/zinc/74/34/06/570743406.db2.gz PERJGGYQKUEGTB-CYVLTUHYSA-N -1 0 357.211 3.640 50 30 FHEARM O=C1c2ccccc2C(=O)C1=Cc1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000004474165 570794825 /nfs/dbraw/zinc/79/48/25/570794825.db2.gz VOQKIKNVSXWTCM-UHFFFAOYSA-N -1 0 374.146 3.526 50 30 FHEARM CC(=NCc1ccco1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000102806737 570838156 /nfs/dbraw/zinc/83/81/56/570838156.db2.gz VIZOFWYXVYFNTB-ODLFYWEKSA-N -1 0 352.419 3.686 50 30 FHEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(N(C)C)cc2)cc1 ZINC000005810172 570967549 /nfs/dbraw/zinc/96/75/49/570967549.db2.gz AMFIRRAFPHBYSM-XDHOZWIPSA-N -1 0 353.451 3.564 50 30 FHEARM C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000036493650 571080241 /nfs/dbraw/zinc/08/02/41/571080241.db2.gz VDYLVWGBLQNNAW-UVTKPVMCSA-N -1 0 361.482 3.767 50 30 in-vitro FHEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000084384041 571084590 /nfs/dbraw/zinc/08/45/90/571084590.db2.gz HRLYEAINLREARL-UHFFFAOYSA-N -1 0 370.430 3.573 50 30 FHEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)c(F)c2)c1=O ZINC000012414648 571095957 /nfs/dbraw/zinc/09/59/57/571095957.db2.gz OEQVCBCRAZPEOD-UHFFFAOYSA-N -1 0 352.365 3.593 50 30 FHEARM CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1)c1ccccc1 ZINC000084734257 571098343 /nfs/dbraw/zinc/09/83/43/571098343.db2.gz VPXLKJVRMRKVGF-INIZCTEOSA-N -1 0 371.418 3.576 50 30 FHEARM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccc(F)cc1 ZINC000041540831 571112872 /nfs/dbraw/zinc/11/28/72/571112872.db2.gz FJWIRIBMDQTKQK-OAHLLOKOSA-N -1 0 360.348 3.951 50 30 FHEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000002407361 571124977 /nfs/dbraw/zinc/12/49/77/571124977.db2.gz VYCGKOZEHWTALK-UHFFFAOYSA-N -1 0 374.853 3.682 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)cc2)c1 ZINC000005408637 571214173 /nfs/dbraw/zinc/21/41/73/571214173.db2.gz PJDAGGJDWHDQCR-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000005408638 571214193 /nfs/dbraw/zinc/21/41/93/571214193.db2.gz CJHCCDWVNVLAGH-WOJGMQOQSA-N -1 0 369.406 3.797 50 30 FHEARM Cc1ccc(N=C2S/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000252629144 571289422 /nfs/dbraw/zinc/28/94/22/571289422.db2.gz TZGWKTSSVXOLLE-LQRSTDMYSA-N -1 0 352.415 3.927 50 30 FHEARM O=c1c2c3c(sc2ncn1N=Cc1ccc(O)c(Cl)c1)CCCC3 ZINC000252641820 571292170 /nfs/dbraw/zinc/29/21/70/571292170.db2.gz ZGFLZIVVHNPXOM-UHFFFAOYSA-N -1 0 359.838 3.578 50 30 FHEARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c(C)s2)on1 ZINC000075435315 571319853 /nfs/dbraw/zinc/31/98/53/571319853.db2.gz UWPJLVGYFINOFY-UHFFFAOYSA-N -1 0 359.432 3.692 50 30 FHEARM N#Cc1c(=O)[n-]c(SCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000095471976 571330619 /nfs/dbraw/zinc/33/06/19/571330619.db2.gz ATFNMPJJDAVFOK-UHFFFAOYSA-N -1 0 364.386 3.921 50 30 FHEARM COc1cc(/C=C2\CCOc3c(C)cccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000029217803 571342220 /nfs/dbraw/zinc/34/22/20/571342220.db2.gz DVWZHINXQASZHP-MDWZMJQESA-N -1 0 355.346 3.666 50 30 FHEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(SC(F)(F)F)cc2)C(=O)O1 ZINC000024061325 934593254 /nfs/dbraw/zinc/59/32/54/934593254.db2.gz LDEFMJOLKUUEPU-GBXSZLQWSA-N -1 0 356.321 3.527 50 30 FHEARM N#C/C(=N\[N-]c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037367 219356316 /nfs/dbraw/zinc/35/63/16/219356316.db2.gz RBSPLDQQULXVMP-XMHGGMMESA-N -1 0 354.218 3.716 50 30 FHEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000001241796 219393001 /nfs/dbraw/zinc/39/30/01/219393001.db2.gz VBSOPLCTKKGXDL-XDHOZWIPSA-N -1 0 354.435 3.897 50 30 FHEARM C=CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000005817026 219700202 /nfs/dbraw/zinc/70/02/02/219700202.db2.gz ZKVBYIUCONWADJ-UHFFFAOYSA-N -1 0 354.793 3.799 50 30 FHEARM Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)no1 ZINC000013127651 220058543 /nfs/dbraw/zinc/05/85/43/220058543.db2.gz SXZJKCLGIIVLHL-MRXNPFEDSA-N -1 0 366.398 3.827 50 30 FHEARM Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)no1 ZINC000013127649 220059139 /nfs/dbraw/zinc/05/91/39/220059139.db2.gz SXZJKCLGIIVLHL-INIZCTEOSA-N -1 0 366.398 3.827 50 30 FHEARM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c(F)c(F)c(F)c(F)c1F ZINC000013739093 220092185 /nfs/dbraw/zinc/09/21/85/220092185.db2.gz XENAOAOXLJDCAC-ZETCQYMHSA-N -1 0 365.261 3.759 50 30 FHEARM CC[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)OC(C)C ZINC000021658755 220362365 /nfs/dbraw/zinc/36/23/65/220362365.db2.gz NUJFKNRIQOCSNU-CQSZACIVSA-N -1 0 357.435 3.543 50 30 FHEARM C=CCN(CC#Cc1ccccc1)[C@@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055369738 221067143 /nfs/dbraw/zinc/06/71/43/221067143.db2.gz OTZMUWLCGCFUHE-OAQYLSRUSA-N -1 0 363.457 3.977 50 30 FHEARM O=C([O-])COc1ccc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cc1 ZINC000097029947 222151711 /nfs/dbraw/zinc/15/17/11/222151711.db2.gz YSRCEGWJZIOZJU-LCYFTJDESA-N -1 0 365.360 3.983 50 30 FHEARM CC(=NN=c1[nH]c2ccc(C)cc2s1)C(=N[O-])C(=O)Nc1ccccc1 ZINC000101348009 222270101 /nfs/dbraw/zinc/27/01/01/222270101.db2.gz AUHJILWJFIBQFB-IWEAGPBLSA-N -1 0 367.434 3.861 50 30 FHEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccs2)o1 ZINC000102545365 222299987 /nfs/dbraw/zinc/29/99/87/222299987.db2.gz FSUYXQBFOAAXAY-DPEHCCBOSA-N -1 0 370.386 3.572 50 30 FHEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000004611768 263335098 /nfs/dbraw/zinc/33/50/98/263335098.db2.gz KQWSFSCGHQOOKF-BNOWGMLFSA-N -1 0 358.463 3.740 50 30 FHEARM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc(C)c(C)c2)n1 ZINC000009442953 526401071 /nfs/dbraw/zinc/40/10/71/526401071.db2.gz JGQSSDHVKBQVLZ-HNNXBMFYSA-N -1 0 374.487 3.580 50 30 FHEARM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)o1)c1nnc2n1CCCCC2 ZINC000041509450 526492857 /nfs/dbraw/zinc/49/28/57/526492857.db2.gz JLQYKCGFFCHNLQ-HNNXBMFYSA-N -1 0 364.380 3.894 50 30 FHEARM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041559781 526927498 /nfs/dbraw/zinc/92/74/98/526927498.db2.gz SGAGUKMASHOXFD-MRXNPFEDSA-N -1 0 362.458 3.939 50 30 FHEARM O=C([O-])C(CC(=O)c1ccccc1)=Nc1ccc(OC(F)(F)F)cc1 ZINC000019848263 527543515 /nfs/dbraw/zinc/54/35/15/527543515.db2.gz QNUXHSJOVXHJJR-UVTDQMKNSA-N -1 0 351.280 3.849 50 30 biogenic,in-vitro FHEARM O=[N+]([O-])c1cccc(C=NNC(=Nc2ccccc2)c2ccccn2)c1[O-] ZINC000001958581 570510746 /nfs/dbraw/zinc/51/07/46/570510746.db2.gz UTYHHJZJVYFJLE-FYJGNVAPSA-N -1 0 361.361 3.588 50 30 FHEARM COC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2[O-])sc2c1CCCC2 ZINC000004860383 570551813 /nfs/dbraw/zinc/55/18/13/570551813.db2.gz KYPWJRDCVMPQRF-GIJQJNRQSA-N -1 0 360.391 3.778 50 30 FHEARM COC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2 ZINC000004150700 570579076 /nfs/dbraw/zinc/57/90/76/570579076.db2.gz IQULCPLNTFUBDS-GIJQJNRQSA-N -1 0 360.391 3.778 50 30 FHEARM N#Cc1c(=O)[n-]c(NN=Cc2cccs2)nc1-c1ccc(Cl)cc1 ZINC000004301084 570583920 /nfs/dbraw/zinc/58/39/20/570583920.db2.gz RFDJSZFAIIIWNC-DJKKODMXSA-N -1 0 355.810 3.882 50 30 FHEARM N#Cc1cc2c([n-]c1=O)C[C@@H](c1ccccc1)CC2=NNc1ccccc1 ZINC000004946090 570614507 /nfs/dbraw/zinc/61/45/07/570614507.db2.gz GONOHECGOFQDGW-WTFZZRLTSA-N -1 0 354.413 3.793 50 30 FHEARM C=CCn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21 ZINC000005444046 570656988 /nfs/dbraw/zinc/65/69/88/570656988.db2.gz ARFVILYLZZFANW-UHFFFAOYSA-N -1 0 354.793 3.799 50 30 FHEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3cccc(C)c3)no2)c1=O ZINC000101725292 570822928 /nfs/dbraw/zinc/82/29/28/570822928.db2.gz VFGXWWPEKTVBEA-UHFFFAOYSA-N -1 0 359.385 3.919 50 30 FHEARM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1)c1ccccc1 ZINC000084734260 571098395 /nfs/dbraw/zinc/09/83/95/571098395.db2.gz VPXLKJVRMRKVGF-MRXNPFEDSA-N -1 0 371.418 3.576 50 30 FHEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000004991743 571102378 /nfs/dbraw/zinc/10/23/78/571102378.db2.gz DWWYFXMUJBQCET-UYRXBGFRSA-N -1 0 356.381 3.641 50 30 FHEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)C1=C([O-])c1ccco1 ZINC000006188351 571156451 /nfs/dbraw/zinc/15/64/51/571156451.db2.gz NGNBJUGXFJGHJI-AWEZNQCLSA-N -1 0 352.371 3.519 50 30 FHEARM CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCC3)c1[O-] ZINC000035406348 571168564 /nfs/dbraw/zinc/16/85/64/571168564.db2.gz DRJZKYUNUSSOSI-DJKKODMXSA-N -1 0 357.391 3.872 50 30 FHEARM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1 ZINC000065004117 571250201 /nfs/dbraw/zinc/25/02/01/571250201.db2.gz DDWKMMIMHHRWDJ-UHFFFAOYSA-N -1 0 371.443 3.953 50 30 FHEARM O=c1c(N=Nc2ccccc2O)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000252462401 571279206 /nfs/dbraw/zinc/27/92/06/571279206.db2.gz RZVOKVQKBDAHCP-UHFFFAOYSA-N -1 0 356.385 3.611 50 30 FHEARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2ccccc2)S1 ZINC000252605865 571284849 /nfs/dbraw/zinc/28/48/49/571284849.db2.gz GNQRCMMRCGJTNZ-HNNXBMFYSA-N -1 0 374.849 3.946 50 30 FHEARM CCCC(CCC)=NN=C1S[C@H](CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000252625901 571288930 /nfs/dbraw/zinc/28/89/30/571288930.db2.gz QRLXYCSVTFXCGI-OAHLLOKOSA-N -1 0 361.467 3.922 50 30 FHEARM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccn2)cc1 ZINC000004311689 571357779 /nfs/dbraw/zinc/35/77/79/571357779.db2.gz YNELJTRIIVOXHH-GOSISDBHSA-N -1 0 371.396 3.568 50 30 FHEARM