smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1cccc(COCC2CC2)c1)c1cccc2nonc21 ZINC000162424707 728944775 /nfs/dbraw/zinc/94/47/75/728944775.db2.gz IZWAVNWLUBORAP-UHFFFAOYSA-N 0 2 359.407 2.950 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(CN2CC[NH+](Cc3ccco3)CC2)c1[O-] ZINC000768214062 737406879 /nfs/dbraw/zinc/40/68/79/737406879.db2.gz HFNZUZOBTPKVMI-UHFFFAOYSA-N 0 2 351.790 2.865 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(Cc3ccco3)CC2)c1[O-] ZINC000768214062 737406882 /nfs/dbraw/zinc/40/68/82/737406882.db2.gz HFNZUZOBTPKVMI-UHFFFAOYSA-N 0 2 351.790 2.865 20 10 FFCDLN Cc1[nH]ncc1CCCNC(=O)NCc1cc(Br)ccc1O ZINC000794803320 739932614 /nfs/dbraw/zinc/93/26/14/739932614.db2.gz GJBVKXZXCZBDQV-UHFFFAOYSA-N 0 2 367.247 2.618 20 10 FFCDLN COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccsc3)n2)c[nH]1 ZINC000795550374 740035692 /nfs/dbraw/zinc/03/56/92/740035692.db2.gz VLQNDUPLIROMCF-UHFFFAOYSA-N 0 2 369.449 2.787 20 10 FFCDLN COC(=O)c1ncccc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000829880857 745274008 /nfs/dbraw/zinc/27/40/08/745274008.db2.gz VOKRMTZMWBNSDD-UHFFFAOYSA-N 0 2 364.423 2.806 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000849308263 749096603 /nfs/dbraw/zinc/09/66/03/749096603.db2.gz ONWYVSQLYGWOOM-INIZCTEOSA-N 0 2 371.455 2.516 20 10 FFCDLN CO[C@@H](CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000849308597 749097184 /nfs/dbraw/zinc/09/71/84/749097184.db2.gz TVTOFCSQWMGQMQ-HNNXBMFYSA-N 0 2 358.416 2.637 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccs2)cc1C ZINC000055668548 845336170 /nfs/dbraw/zinc/33/61/70/845336170.db2.gz ZLNHMZRPEDREPF-UHFFFAOYSA-N 0 2 360.482 2.619 20 10 FFCDLN Cc1cccn2c(/C=C/c3nc4ccccc4c(=O)n3CC(=O)[O-])c[nH+]c12 ZINC000670370244 990197708 /nfs/dbraw/zinc/19/77/08/990197708.db2.gz SCDZEIXOHYRWMC-CMDGGOBGSA-N 0 2 360.373 2.608 20 10 FFCDLN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)c(F)cc2[O-])N1CC(F)(F)F ZINC001276191957 1016502066 /nfs/dbraw/zinc/50/20/66/1016502066.db2.gz WCOZDYBAASYHKW-CHWSQXEVSA-N 0 2 364.314 2.798 20 10 FFCDLN O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)c(F)cc2[O-])N1CC(F)(F)F ZINC001276191957 1016502077 /nfs/dbraw/zinc/50/20/77/1016502077.db2.gz WCOZDYBAASYHKW-CHWSQXEVSA-N 0 2 364.314 2.798 20 10 FFCDLN O=C1CC[C@@H]2[C@@H](CCN2Cc2cc(F)c(F)cc2O)N1CC(F)(F)F ZINC001276191957 1016502090 /nfs/dbraw/zinc/50/20/90/1016502090.db2.gz WCOZDYBAASYHKW-CHWSQXEVSA-N 0 2 364.314 2.798 20 10 FFCDLN COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001276192178 1016504731 /nfs/dbraw/zinc/50/47/31/1016504731.db2.gz YWQAYLPCNZWQBQ-IBGZPJMESA-N 0 2 368.424 2.662 20 10 FFCDLN COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001276192178 1016504738 /nfs/dbraw/zinc/50/47/38/1016504738.db2.gz YWQAYLPCNZWQBQ-IBGZPJMESA-N 0 2 368.424 2.662 20 10 FFCDLN O=C(COC(F)(F)F)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001183204226 1002207882 /nfs/dbraw/zinc/20/78/82/1002207882.db2.gz KUDCZVZSNVWDDM-UHFFFAOYSA-N 0 2 365.263 2.643 20 10 FFCDLN O=S1(=O)CC[C@H](CF)C12CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203581939 1002479844 /nfs/dbraw/zinc/47/98/44/1002479844.db2.gz HQYNLMHQCMNADY-SNVBAGLBSA-N 0 2 368.257 2.658 20 10 FFCDLN O=C1CN(Cc2cc(Cl)cc(Cl)c2O)CCN1c1ccccn1 ZINC001203586833 1002590519 /nfs/dbraw/zinc/59/05/19/1002590519.db2.gz STHKTWNUEYGSOU-UHFFFAOYSA-N 0 2 352.221 2.943 20 10 FFCDLN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(O)c(O)c(Cl)c1 ZINC001193624960 1004527093 /nfs/dbraw/zinc/52/70/93/1004527093.db2.gz BFJKHPRJTXCZOO-UHFFFAOYSA-N 0 2 358.785 2.509 20 10 FFCDLN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ncccc1C(F)(F)F ZINC001194572466 1004763819 /nfs/dbraw/zinc/76/38/19/1004763819.db2.gz VDMAPJNAOONCHU-UHFFFAOYSA-N 0 2 354.256 2.885 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)cccc1Cl ZINC001195308078 1004938045 /nfs/dbraw/zinc/93/80/45/1004938045.db2.gz FGATZNCXMZMZGI-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1ccc(CO)o1 ZINC001189153057 1006929177 /nfs/dbraw/zinc/92/91/77/1006929177.db2.gz BIOMRDTYLYCJJD-UHFFFAOYSA-N 0 2 363.325 2.505 20 10 FFCDLN COc1ccc(N2CC[C@H](CNC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000819590826 1008186584 /nfs/dbraw/zinc/18/65/84/1008186584.db2.gz ZWKQPRHAKSOMBD-CYBMUJFWSA-N 0 2 371.393 2.565 20 10 FFCDLN O=C(COc1ccccn1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001177635689 1008693488 /nfs/dbraw/zinc/69/34/88/1008693488.db2.gz IJEXMAFQEBJUCK-UHFFFAOYSA-N 0 2 374.352 2.580 20 10 FFCDLN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(Cl)c3O)c2)CC1 ZINC000781273136 1029117586 /nfs/dbraw/zinc/11/75/86/1029117586.db2.gz ONTNYTBQEZWVKH-UHFFFAOYSA-N 0 2 373.840 2.966 20 10 FFCDLN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097476 1034516540 /nfs/dbraw/zinc/51/65/40/1034516540.db2.gz HSFCQFRIUCHAJC-ORAYPTAESA-N 0 2 368.424 2.520 20 10 FFCDLN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001277097476 1034516543 /nfs/dbraw/zinc/51/65/43/1034516543.db2.gz HSFCQFRIUCHAJC-ORAYPTAESA-N 0 2 368.424 2.520 20 10 FFCDLN CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2c(O)ccc(F)c2F)C1 ZINC001233335339 1036541582 /nfs/dbraw/zinc/54/15/82/1036541582.db2.gz QRTDPLNIWICCMT-GFCCVEGCSA-N 0 2 356.413 2.566 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000836687146 1036755496 /nfs/dbraw/zinc/75/54/96/1036755496.db2.gz LQZGNJWZCUFROX-MRXNPFEDSA-N 0 2 370.405 2.555 20 10 FFCDLN Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2C(=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000836687146 1036755513 /nfs/dbraw/zinc/75/55/13/1036755513.db2.gz LQZGNJWZCUFROX-MRXNPFEDSA-N 0 2 370.405 2.555 20 10 FFCDLN CC(C)CN1C[C@]2(CCN(Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278025664 1038345751 /nfs/dbraw/zinc/34/57/51/1038345751.db2.gz WNTWAJBBFVFDKB-GOSISDBHSA-N 0 2 370.852 2.644 20 10 FFCDLN Cc1ccc(CCCO)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC001260388372 1040572090 /nfs/dbraw/zinc/57/20/90/1040572090.db2.gz DWPUJGCMCVTUNI-UHFFFAOYSA-N 0 2 363.464 2.725 20 10 FFCDLN CC1(C)Cc2c(NS(=O)(=O)c3cccc4nonc43)cccc2NC1=O ZINC001260443002 1040593977 /nfs/dbraw/zinc/59/39/77/1040593977.db2.gz UVTLHVRTKIKVEA-UHFFFAOYSA-N 0 2 372.406 2.544 20 10 FFCDLN C[C@H](O)c1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261066317 1040971033 /nfs/dbraw/zinc/97/10/33/1040971033.db2.gz RJHXKBVISGROLU-QMMMGPOBSA-N 0 2 353.787 2.730 20 10 FFCDLN Cn1cc2cc(NS(=O)(=O)c3ccc(Cl)c4nonc43)ccc2n1 ZINC001261071206 1040975444 /nfs/dbraw/zinc/97/54/44/1040975444.db2.gz RGBSEGJIYQNVGT-UHFFFAOYSA-N 0 2 363.786 2.564 20 10 FFCDLN C[C@H]1c2nc(C(N)=O)cn2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001279972331 1044011899 /nfs/dbraw/zinc/01/18/99/1044011899.db2.gz OPDCZBGVMXMWBI-QMMMGPOBSA-N 0 2 355.225 2.571 20 10 FFCDLN CC[C@H]1C(=O)NCCCN1Cc1cc(Cl)cc(Br)c1O ZINC001308975747 1052529942 /nfs/dbraw/zinc/52/99/42/1052529942.db2.gz XXCOWSYPLLSPCN-LBPRGKRZSA-N 0 2 361.667 2.909 20 10 FFCDLN C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001560948890 1076312420 /nfs/dbraw/zinc/31/24/20/1076312420.db2.gz KILPCNJCKZNOFX-PELKAZGASA-N 0 2 352.303 2.559 20 10 FFCDLN C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001560948890 1076312426 /nfs/dbraw/zinc/31/24/26/1076312426.db2.gz KILPCNJCKZNOFX-PELKAZGASA-N 0 2 352.303 2.559 20 10 FFCDLN Cc1nc(CN2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)no1 ZINC000093274112 508132557 /nfs/dbraw/zinc/13/25/57/508132557.db2.gz LNOCWTWFJXSGCK-UHFFFAOYSA-N 0 2 357.241 2.708 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc2c(c1)OCO2 ZINC000180140204 729204774 /nfs/dbraw/zinc/20/47/74/729204774.db2.gz OILWTXPAWIOQET-UHFFFAOYSA-N 0 2 350.377 2.933 20 10 FFCDLN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c(F)c1F ZINC000863400950 730776667 /nfs/dbraw/zinc/77/66/67/730776667.db2.gz OCYFXYSWIADOSN-UHFFFAOYSA-N 0 2 368.405 2.911 20 10 FFCDLN Oc1c(Br)cc(Cl)cc1CN1CCO[C@]2(CCOC2)C1 ZINC000894474455 734865318 /nfs/dbraw/zinc/86/53/18/734865318.db2.gz CFIJIKZQACDKTE-CQSZACIVSA-N 0 2 362.651 2.799 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC4)n2)cn1 ZINC000743049181 735274885 /nfs/dbraw/zinc/27/48/85/735274885.db2.gz ASJKGWMLSPBKBO-UHFFFAOYSA-N 0 2 360.464 2.833 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1O ZINC000797819760 740275804 /nfs/dbraw/zinc/27/58/04/740275804.db2.gz RFAGCIMTQFUFML-UHFFFAOYSA-N 0 2 357.391 2.659 20 10 FFCDLN Cc1cc(CC(=O)NCCc2n[nH]c(=S)o2)c(C)n1-c1ccccc1 ZINC000832364162 745683859 /nfs/dbraw/zinc/68/38/59/745683859.db2.gz WYZWFCWUKIAKHW-UHFFFAOYSA-N 0 2 356.451 2.667 20 10 FFCDLN C[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000848637681 748973962 /nfs/dbraw/zinc/97/39/62/748973962.db2.gz KLKPCWJLUIAWFC-LURJTMIESA-N 0 2 367.037 2.728 20 10 FFCDLN CC[C@H](C)N1C[C@@]2(F)CN(Cc3c(F)ccc(F)c3O)C[C@@]2(F)C1=O ZINC001275951463 1013220783 /nfs/dbraw/zinc/22/07/83/1013220783.db2.gz KBHAGLVKWBTVKW-PZDALLCQSA-N 0 2 360.351 2.543 20 10 FFCDLN O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3c(F)ccc(F)c3O)C[C@@]12F ZINC001275957556 1013229797 /nfs/dbraw/zinc/22/97/97/1013229797.db2.gz SWCRYSVGHCQZNH-ZWKOTPCHSA-N 0 2 372.362 2.687 20 10 FFCDLN CCc1nnc(-c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)o1 ZINC000765099511 984963224 /nfs/dbraw/zinc/96/32/24/984963224.db2.gz UVQJUAUABWLBFV-UHFFFAOYSA-N 0 2 371.378 2.636 20 10 FFCDLN COc1c(O)c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774953393 1003106422 /nfs/dbraw/zinc/10/64/22/1003106422.db2.gz IEGUSOQNHMZMKI-UHFFFAOYSA-N 0 2 359.426 2.921 20 10 FFCDLN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccc(C(F)(F)F)cn1 ZINC001194294923 1004709107 /nfs/dbraw/zinc/70/91/07/1004709107.db2.gz PWTSDUJJEATBGO-UHFFFAOYSA-N 0 2 354.256 2.885 20 10 FFCDLN CC[N@H+](CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@H](C)C(=O)[O-] ZINC000852730239 1006160073 /nfs/dbraw/zinc/16/00/73/1006160073.db2.gz PMCHSKNYFXTSRX-CQSZACIVSA-N 0 2 372.421 2.801 20 10 FFCDLN CC[N@@H+](CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@H](C)C(=O)[O-] ZINC000852730239 1006160079 /nfs/dbraw/zinc/16/00/79/1006160079.db2.gz PMCHSKNYFXTSRX-CQSZACIVSA-N 0 2 372.421 2.801 20 10 FFCDLN O=C1CN(Cc2cc(Cl)cc(Br)c2O)C[C@H]2CCCN12 ZINC001141373264 1026066442 /nfs/dbraw/zinc/06/64/42/1026066442.db2.gz VIWJAAURMKFSFB-LLVKDONJSA-N 0 2 359.651 2.615 20 10 FFCDLN O=C([O-])/C=C/c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000784252108 1030535856 /nfs/dbraw/zinc/53/58/56/1030535856.db2.gz NOWKQXOYXRCUAW-GQCTYLIASA-N 0 2 357.366 2.608 20 10 FFCDLN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000798135933 1031316109 /nfs/dbraw/zinc/31/61/09/1031316109.db2.gz YURAHEAHBFUMDH-UHFFFAOYSA-N 0 2 365.437 2.938 20 10 FFCDLN Oc1c(F)ccc(F)c1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001139682049 1035196961 /nfs/dbraw/zinc/19/69/61/1035196961.db2.gz MRGGONXEMAJFGK-CQSZACIVSA-N 0 2 363.408 2.926 20 10 FFCDLN Cn1cc(-c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2)cn1 ZINC001260382641 1040567649 /nfs/dbraw/zinc/56/76/49/1040567649.db2.gz CVHQZLBHUCNYOS-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN O=S(=O)(Nc1ccc(Cl)c(CO)c1)c1cccc2nsnc21 ZINC001260388777 1040570847 /nfs/dbraw/zinc/57/08/47/1040570847.db2.gz ZCPSPJNFGDWLDO-UHFFFAOYSA-N 0 2 355.828 2.638 20 10 FFCDLN CC1(c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2)COC1 ZINC001260388985 1040571192 /nfs/dbraw/zinc/57/11/92/1040571192.db2.gz LYHYEXALVRLXFJ-UHFFFAOYSA-N 0 2 361.448 2.780 20 10 FFCDLN CN(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261071356 1040977975 /nfs/dbraw/zinc/97/79/75/1040977975.db2.gz ZJTVYKZOIKUQTC-UHFFFAOYSA-N 0 2 352.803 2.743 20 10 FFCDLN O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001278606335 1041397820 /nfs/dbraw/zinc/39/78/20/1041397820.db2.gz WEHYLEQSCJURTL-OKILXGFUSA-N 0 2 364.417 2.760 20 10 FFCDLN CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1C ZINC000266310928 510510981 /nfs/dbraw/zinc/51/09/81/510510981.db2.gz DYLKBESEGKOESI-UHFFFAOYSA-N 0 2 363.468 2.839 20 10 FFCDLN COc1c(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941512 511014407 /nfs/dbraw/zinc/01/44/07/511014407.db2.gz XYBIUPYUCKZRKR-BBRMVZONSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941512 511014411 /nfs/dbraw/zinc/01/44/11/511014411.db2.gz XYBIUPYUCKZRKR-BBRMVZONSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941512 511014415 /nfs/dbraw/zinc/01/44/15/511014415.db2.gz XYBIUPYUCKZRKR-BBRMVZONSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941512 511014419 /nfs/dbraw/zinc/01/44/19/511014419.db2.gz XYBIUPYUCKZRKR-BBRMVZONSA-N 0 2 361.442 2.758 20 10 FFCDLN COC(=O)c1oc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1C ZINC000737713976 600315073 /nfs/dbraw/zinc/31/50/73/600315073.db2.gz OAEHVUKHVHHDMZ-UHFFFAOYSA-N 0 2 367.785 2.820 20 10 FFCDLN COC(=O)c1oc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1C ZINC000737713976 600315077 /nfs/dbraw/zinc/31/50/77/600315077.db2.gz OAEHVUKHVHHDMZ-UHFFFAOYSA-N 0 2 367.785 2.820 20 10 FFCDLN O=S(=O)(Nc1ccccc1-n1cccn1)c1cccc2nsnc21 ZINC000047991926 728041049 /nfs/dbraw/zinc/04/10/49/728041049.db2.gz HDJVYULLHIMPRI-UHFFFAOYSA-N 0 2 357.420 2.678 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1cccnc1OCC(F)F ZINC000872367377 731757366 /nfs/dbraw/zinc/75/73/66/731757366.db2.gz VBTZCSJZLMCYLR-UHFFFAOYSA-N 0 2 358.366 2.794 20 10 FFCDLN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774205 732766057 /nfs/dbraw/zinc/76/60/57/732766057.db2.gz FKIJHHBIKAMKEC-YMTOWFKASA-N 0 2 364.243 2.860 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000790411916 739450259 /nfs/dbraw/zinc/45/02/59/739450259.db2.gz VLKIVBFIFVTWMZ-UHFFFAOYSA-N 0 2 365.407 2.687 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cnn1C ZINC000794001611 739836918 /nfs/dbraw/zinc/83/69/18/739836918.db2.gz GTBXRIZBFSXLED-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN COc1ccc(-c2csc(NS(=O)(=O)c3cn(C)nc3C)n2)cc1 ZINC000808525691 741232456 /nfs/dbraw/zinc/23/24/56/741232456.db2.gz FIZHDSYGYDABOX-UHFFFAOYSA-N 0 2 364.452 2.661 20 10 FFCDLN O=S(=O)(Nc1cccc(-c2cc[nH]n2)c1)c1cccc2nsnc21 ZINC000031534736 845061108 /nfs/dbraw/zinc/06/11/08/845061108.db2.gz KPTRPUPLUJNFND-UHFFFAOYSA-N 0 2 357.420 2.882 20 10 FFCDLN O=C(NC1CCOCC1)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000195160799 971927123 /nfs/dbraw/zinc/92/71/23/971927123.db2.gz GWWBSYLPUAPQLE-UHFFFAOYSA-N 0 2 371.393 2.821 20 10 FFCDLN COC[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1 ZINC000708215905 967273600 /nfs/dbraw/zinc/27/36/00/967273600.db2.gz NDHREDHKUGMKNQ-NSHDSACASA-N 0 2 350.640 2.655 20 10 FFCDLN Cc1cccn2c(/C=C\c3nc4ccccc4c(=O)n3CC(=O)[O-])c[nH+]c12 ZINC000670370245 990197663 /nfs/dbraw/zinc/19/76/63/990197663.db2.gz SCDZEIXOHYRWMC-HJWRWDBZSA-N 0 2 360.373 2.608 20 10 FFCDLN CN(C)c1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)[O-] ZINC001598328459 991350262 /nfs/dbraw/zinc/35/02/62/991350262.db2.gz NEXYNISYUGTZKT-UHFFFAOYSA-N 0 2 370.449 2.862 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1ccc(=O)[nH]c1 ZINC001147151101 1000834194 /nfs/dbraw/zinc/83/41/94/1000834194.db2.gz RSQHJNRQNLNXSL-UHFFFAOYSA-N 0 2 360.325 2.521 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875490 1008233417 /nfs/dbraw/zinc/23/34/17/1008233417.db2.gz QHLVJUPNRQAGGL-KPZWWZAWSA-N 0 2 354.406 2.543 20 10 FFCDLN COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875490 1008233419 /nfs/dbraw/zinc/23/34/19/1008233419.db2.gz QHLVJUPNRQAGGL-KPZWWZAWSA-N 0 2 354.406 2.543 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(OC[C@H]3COCO3)c12 ZINC001227507314 1035588046 /nfs/dbraw/zinc/58/80/46/1035588046.db2.gz WNYFSRQBSOIUSB-GFCCVEGCSA-N 0 2 356.330 2.623 20 10 FFCDLN Oc1c(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)ccc(F)c1F ZINC001233074014 1036318999 /nfs/dbraw/zinc/31/89/99/1036318999.db2.gz GETDNZRACNVPIA-AWEZNQCLSA-N 0 2 363.408 2.926 20 10 FFCDLN C=CC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC001260388922 1040571210 /nfs/dbraw/zinc/57/12/10/1040571210.db2.gz ITUHRVNMXWZLJG-UHFFFAOYSA-N 0 2 360.420 2.617 20 10 FFCDLN O=S(=O)(Nc1ccc(Oc2ncccn2)cc1)c1cccc2nonc21 ZINC001260440670 1040592351 /nfs/dbraw/zinc/59/23/51/1040592351.db2.gz CXSZNWDTGBYSJR-UHFFFAOYSA-N 0 2 369.362 2.606 20 10 FFCDLN O=S(=O)(Nc1cccc2c1COC2)c1ccc(Cl)c2nonc21 ZINC001261072829 1040977684 /nfs/dbraw/zinc/97/76/84/1040977684.db2.gz FSEXIAWAGTVOIB-UHFFFAOYSA-N 0 2 351.771 2.707 20 10 FFCDLN O=C(NCc1c(O)cccc1O)c1cc(Br)c(F)cc1O ZINC001304053226 1051514789 /nfs/dbraw/zinc/51/47/89/1051514789.db2.gz FAQKSNBNRVXMAO-UHFFFAOYSA-N 0 2 356.147 2.635 20 10 FFCDLN O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1cc(-c2c(F)cccc2F)no1 ZINC001472488255 1065078545 /nfs/dbraw/zinc/07/85/45/1065078545.db2.gz CHHBBIIARUVNPD-UHFFFAOYSA-N 0 2 373.344 2.616 20 10 FFCDLN O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1cccc2nsnc21 ZINC000014232509 506981550 /nfs/dbraw/zinc/98/15/50/506981550.db2.gz UPWXSGZZZUYCBQ-UHFFFAOYSA-N 0 2 371.447 2.737 20 10 FFCDLN C[C@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]1C ZINC000293875864 510883295 /nfs/dbraw/zinc/88/32/95/510883295.db2.gz AZCFWAKLSKVAEZ-QWRGUYRKSA-N 0 2 366.464 2.735 20 10 FFCDLN C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O ZINC000273446698 511526482 /nfs/dbraw/zinc/52/64/82/511526482.db2.gz NXIYVQLHPNALDG-KDOFPFPSSA-N 0 2 371.437 2.718 20 10 FFCDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000281240689 511772214 /nfs/dbraw/zinc/77/22/14/511772214.db2.gz NONHYPBGPFKMGU-CQSZACIVSA-N 0 2 372.377 2.827 20 10 FFCDLN O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1c[nH+]c2ccccn12)CC3 ZINC000607059171 521249194 /nfs/dbraw/zinc/24/91/94/521249194.db2.gz JRYOJWVOZVXFOX-FMIVXFBMSA-N 0 2 358.357 2.687 20 10 FFCDLN Cc1cccn2c(/C=C3/CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)c[nH+]c12 ZINC000607436277 521369749 /nfs/dbraw/zinc/36/97/49/521369749.db2.gz WLZGTNZPDVVZFT-LCYFTJDESA-N 0 2 372.384 2.995 20 10 FFCDLN COC(=O)c1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c(C)o1 ZINC000737653340 600144375 /nfs/dbraw/zinc/14/43/75/600144375.db2.gz HNXWMJVOULAWQX-UHFFFAOYSA-N 0 2 367.785 2.820 20 10 FFCDLN COC(=O)c1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c(C)o1 ZINC000737653340 600144376 /nfs/dbraw/zinc/14/43/76/600144376.db2.gz HNXWMJVOULAWQX-UHFFFAOYSA-N 0 2 367.785 2.820 20 10 FFCDLN COC(=O)[C@@](C)(Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000898339719 735342435 /nfs/dbraw/zinc/34/24/35/735342435.db2.gz HUHVCPLRXQNEGR-OAHLLOKOSA-N 0 2 358.225 2.617 20 10 FFCDLN O=S(=O)(Nc1ccc2c(cnn2C(F)F)c1)c1cccc2nonc21 ZINC000746596726 735496728 /nfs/dbraw/zinc/49/67/28/735496728.db2.gz ARDQJNIOVUIYEV-UHFFFAOYSA-N 0 2 365.321 2.768 20 10 FFCDLN CCn1cc(-c2[nH]ncc2C(=O)NCCCSc2nccs2)cn1 ZINC000778821338 738414579 /nfs/dbraw/zinc/41/45/79/738414579.db2.gz YLSJUKLQQKYZMV-UHFFFAOYSA-N 0 2 362.484 2.662 20 10 FFCDLN Cc1ccc(F)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000743046650 735274365 /nfs/dbraw/zinc/27/43/65/735274365.db2.gz INZWDWUQHPLFSO-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc3c(s2)CCc2sccc2-3)cnn1C ZINC000903248815 736067347 /nfs/dbraw/zinc/06/73/47/736067347.db2.gz NYZCVLHDZZQCFG-UHFFFAOYSA-N 0 2 366.493 2.813 20 10 FFCDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792702086 739695507 /nfs/dbraw/zinc/69/55/07/739695507.db2.gz LESNKQAQIHJMPD-UHFFFAOYSA-N 0 2 355.485 2.773 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nonc32)cc2cccnc21 ZINC000794059858 739848272 /nfs/dbraw/zinc/84/82/72/739848272.db2.gz LCMLFKXBHINRMT-UHFFFAOYSA-N 0 2 356.363 2.580 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccc2c1OCO2 ZINC000800925335 740566282 /nfs/dbraw/zinc/56/62/82/740566282.db2.gz QQUYCUBKLIUCIH-UHFFFAOYSA-N 0 2 361.404 2.735 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1 ZINC000055639105 845334547 /nfs/dbraw/zinc/33/45/47/845334547.db2.gz RNQSQQPUHPNINO-UHFFFAOYSA-N 0 2 360.482 2.619 20 10 FFCDLN Cc1ccc(F)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000055679106 845337865 /nfs/dbraw/zinc/33/78/65/845337865.db2.gz BVXXUKMHLXRDNX-UHFFFAOYSA-N 0 2 350.415 2.772 20 10 FFCDLN CC[C@@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H](C)[S@@]1=O ZINC001595489996 981240722 /nfs/dbraw/zinc/24/07/22/981240722.db2.gz YJSIQMKJGKNNJU-QLYRYJBHSA-N 0 2 366.458 2.747 20 10 FFCDLN CC[C@@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H](C)[S@@]1=O ZINC001595489996 981240726 /nfs/dbraw/zinc/24/07/26/981240726.db2.gz YJSIQMKJGKNNJU-QLYRYJBHSA-N 0 2 366.458 2.747 20 10 FFCDLN Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@](O)(C(F)(F)F)C1 ZINC001203574254 1002343424 /nfs/dbraw/zinc/34/34/24/1002343424.db2.gz RJGRAMXZTVLYHZ-LBPRGKRZSA-N 0 2 360.159 2.825 20 10 FFCDLN CC[C@@](C)(O)CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001184260803 1002543511 /nfs/dbraw/zinc/54/35/11/1002543511.db2.gz FTOKNOOEHVRCEY-HXUWFJFHSA-N 0 2 353.374 2.657 20 10 FFCDLN COc1cc(Br)ccc1S(=O)(=O)Nc1ccc(O)cc1O ZINC001196574748 1003860292 /nfs/dbraw/zinc/86/02/92/1003860292.db2.gz GQQPXYNBJHSKNM-UHFFFAOYSA-N 0 2 374.212 2.670 20 10 FFCDLN Cc1cc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc(=O)[nH]1 ZINC001192233381 1004104073 /nfs/dbraw/zinc/10/40/73/1004104073.db2.gz YEMPAYFCVVLNDG-UHFFFAOYSA-N 0 2 374.352 2.829 20 10 FFCDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(O)c2O)c(Cl)c1 ZINC001193353131 1004459306 /nfs/dbraw/zinc/45/93/06/1004459306.db2.gz VPFFUHIRAJWIRY-UHFFFAOYSA-N 0 2 356.787 2.510 20 10 FFCDLN Cc1cc(N)ncc1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001194349894 1004708816 /nfs/dbraw/zinc/70/88/16/1004708816.db2.gz CMFOOIFLWIUZCV-UHFFFAOYSA-N 0 2 373.368 2.706 20 10 FFCDLN COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(O)cc1O ZINC001190219512 1007531412 /nfs/dbraw/zinc/53/14/12/1007531412.db2.gz ZZWIWLFENMEZMJ-UHFFFAOYSA-N 0 2 363.313 2.926 20 10 FFCDLN CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2F)CC1 ZINC000857852589 1008226036 /nfs/dbraw/zinc/22/60/36/1008226036.db2.gz CIWLINNGINDHER-SFHVURJKSA-N 0 2 357.477 2.858 20 10 FFCDLN C[C@@H]1OCC[C@@H]1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001178961609 1009208235 /nfs/dbraw/zinc/20/82/35/1009208235.db2.gz OGDHVYJPNYZKPT-QWRGUYRKSA-N 0 2 351.358 2.531 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@H]1CCCC[C@H]1O ZINC001181089847 1009965097 /nfs/dbraw/zinc/96/50/97/1009965097.db2.gz QDTHRUHPINWWHK-SUMWQHHRSA-N 0 2 365.385 2.657 20 10 FFCDLN Cc1noc([C@H]2C[C@@H]3CCN(Cc4cc(F)c(F)cc4O)C[C@H]3O2)n1 ZINC001142512924 1030561703 /nfs/dbraw/zinc/56/17/03/1030561703.db2.gz PXCIIXJCFSCHPZ-AMKSKSKJSA-N 0 2 351.353 2.714 20 10 FFCDLN CCCCN1C[C@@]2(CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968155 1033866678 /nfs/dbraw/zinc/86/66/78/1033866678.db2.gz YJMPZMLBJSMQGC-SFHVURJKSA-N 0 2 370.852 2.788 20 10 FFCDLN CC(=O)[C@@H](C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227030538 1034914787 /nfs/dbraw/zinc/91/47/87/1034914787.db2.gz BLBRSKMCWLGEJM-SNVBAGLBSA-N 0 2 356.330 2.933 20 10 FFCDLN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c(F)ccc(F)c2O)C1 ZINC001139686579 1035197736 /nfs/dbraw/zinc/19/77/36/1035197736.db2.gz BGLYABQRKWVIKZ-NWDGAFQWSA-N 0 2 365.380 2.623 20 10 FFCDLN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686579 1035197740 /nfs/dbraw/zinc/19/77/40/1035197740.db2.gz BGLYABQRKWVIKZ-NWDGAFQWSA-N 0 2 365.380 2.623 20 10 FFCDLN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686579 1035197743 /nfs/dbraw/zinc/19/77/43/1035197743.db2.gz BGLYABQRKWVIKZ-NWDGAFQWSA-N 0 2 365.380 2.623 20 10 FFCDLN C[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1ccccc1O ZINC001139764105 1035224912 /nfs/dbraw/zinc/22/49/12/1035224912.db2.gz FMIUBRUCZMWOFL-UHFFFAOYSA-N 0 2 356.466 2.735 20 10 FFCDLN C[C@@H](O)CC(=O)Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227503921 1035588411 /nfs/dbraw/zinc/58/84/11/1035588411.db2.gz GSXQRIWLWCKFEZ-SNVBAGLBSA-N 0 2 356.330 2.548 20 10 FFCDLN CCC[N@H+](CC(=O)[O-])CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000836690765 1036757494 /nfs/dbraw/zinc/75/74/94/1036757494.db2.gz WMYAFDAKTYOAHK-UHFFFAOYSA-N 0 2 372.421 2.802 20 10 FFCDLN CCC[N@@H+](CC(=O)[O-])CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000836690765 1036757509 /nfs/dbraw/zinc/75/75/09/1036757509.db2.gz WMYAFDAKTYOAHK-UHFFFAOYSA-N 0 2 372.421 2.802 20 10 FFCDLN Cc1cccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1O ZINC001251246468 1039028849 /nfs/dbraw/zinc/02/88/49/1039028849.db2.gz CVLGIWYGOYXUCL-UHFFFAOYSA-N 0 2 367.295 2.875 20 10 FFCDLN O=S(=O)(Nc1cccc2cnncc21)c1ccc(Cl)c2nonc21 ZINC001261072992 1040976775 /nfs/dbraw/zinc/97/67/75/1040976775.db2.gz MBURKNLITKWFFB-UHFFFAOYSA-N 0 2 361.770 2.620 20 10 FFCDLN COc1cc(F)cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261072931 1040977166 /nfs/dbraw/zinc/97/71/66/1040977166.db2.gz LAEATTYIVVZSNE-UHFFFAOYSA-N 0 2 357.750 2.825 20 10 FFCDLN Cc1ncsc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(C(=O)[O-])ccc1O ZINC001279282543 1042982396 /nfs/dbraw/zinc/98/23/96/1042982396.db2.gz OFEGHTZXOYKCAJ-HOTGVXAUSA-N 0 2 373.478 2.704 20 10 FFCDLN Cc1ncsc1C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(C(=O)[O-])ccc1O ZINC001279282543 1042982397 /nfs/dbraw/zinc/98/23/97/1042982397.db2.gz OFEGHTZXOYKCAJ-HOTGVXAUSA-N 0 2 373.478 2.704 20 10 FFCDLN O=C(CCc1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cccc1F ZINC001279421887 1043094037 /nfs/dbraw/zinc/09/40/37/1043094037.db2.gz RIRXGFCNKBXCOJ-IYBDPMFKSA-N 0 2 357.429 2.667 20 10 FFCDLN CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001279696930 1043487322 /nfs/dbraw/zinc/48/73/22/1043487322.db2.gz DCQLFURTPJVQRS-OWCLPIDISA-N 0 2 360.404 2.978 20 10 FFCDLN CN(C)C(=O)c1cnc2n1CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001279976521 1044020320 /nfs/dbraw/zinc/02/03/20/1044020320.db2.gz ZAZHCVZRUDOJMU-UHFFFAOYSA-N 0 2 369.252 2.613 20 10 FFCDLN OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297592586 511000777 /nfs/dbraw/zinc/00/07/77/511000777.db2.gz HQQNLENNUUCNLM-XUVXKRRUSA-N 0 2 352.478 2.852 20 10 FFCDLN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000282563966 511027429 /nfs/dbraw/zinc/02/74/29/511027429.db2.gz UNJKNSIAWHCJRQ-UHFFFAOYSA-N 0 2 368.393 2.584 20 10 FFCDLN Cc1c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2nn1C ZINC000562268471 516996889 /nfs/dbraw/zinc/99/68/89/516996889.db2.gz IEQKCVGABDGPNE-UHFFFAOYSA-N 0 2 359.436 2.687 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cccc2c1OCCO2 ZINC000171154146 728998943 /nfs/dbraw/zinc/99/89/43/728998943.db2.gz HCOVLWBTGMAUAR-UHFFFAOYSA-N 0 2 364.404 2.975 20 10 FFCDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000322871542 729754198 /nfs/dbraw/zinc/75/41/98/729754198.db2.gz GQCNMLWRVHAKMN-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN O=S(=O)(Nc1ccc(O)c(F)c1F)c1onc(C2CC2)c1Cl ZINC000872373799 731758625 /nfs/dbraw/zinc/75/86/25/731758625.db2.gz QSDURDIWDYTJNX-UHFFFAOYSA-N 0 2 350.730 2.990 20 10 FFCDLN O=C1CC[C@H]2CN(Cc3cc(Cl)cc(Br)c3O)CCN12 ZINC000708211228 734363054 /nfs/dbraw/zinc/36/30/54/734363054.db2.gz LSNRTGMKCOINOV-NSHDSACASA-N 0 2 359.651 2.615 20 10 FFCDLN Cc1cc(Br)c(O)c(CN2CCCN(C(=O)C3CC3)CC2)c1 ZINC000783696480 738827491 /nfs/dbraw/zinc/82/74/91/738827491.db2.gz HVIREJNGFSBBQF-UHFFFAOYSA-N 0 2 367.287 2.907 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000783696480 738827495 /nfs/dbraw/zinc/82/74/95/738827495.db2.gz HVIREJNGFSBBQF-UHFFFAOYSA-N 0 2 367.287 2.907 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000783696480 738827498 /nfs/dbraw/zinc/82/74/98/738827498.db2.gz HVIREJNGFSBBQF-UHFFFAOYSA-N 0 2 367.287 2.907 20 10 FFCDLN Oc1c(Br)cc(Cl)cc1CN1CCCn2nncc2C1 ZINC000895755818 735052280 /nfs/dbraw/zinc/05/22/80/735052280.db2.gz AWPLIECUUIYCSL-UHFFFAOYSA-N 0 2 357.639 2.806 20 10 FFCDLN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000761225498 736709638 /nfs/dbraw/zinc/70/96/38/736709638.db2.gz IRLAWHCUSCIGFZ-UHFFFAOYSA-N 0 2 357.216 2.950 20 10 FFCDLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000761996512 736780630 /nfs/dbraw/zinc/78/06/30/736780630.db2.gz WQXMDFCIWYAJQF-UHFFFAOYSA-N 0 2 353.396 2.694 20 10 FFCDLN O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1cccc2nonc21 ZINC000765050159 737076367 /nfs/dbraw/zinc/07/63/67/737076367.db2.gz VGAJVLXRLBAZSI-UHFFFAOYSA-N 0 2 373.312 2.965 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000766047431 737186419 /nfs/dbraw/zinc/18/64/19/737186419.db2.gz IHHPQQKIFFNETC-UHFFFAOYSA-N 0 2 365.455 2.865 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000790409649 739449368 /nfs/dbraw/zinc/44/93/68/739449368.db2.gz STNKCCVVGJDACP-UHFFFAOYSA-N 0 2 369.370 2.517 20 10 FFCDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000797819325 740275912 /nfs/dbraw/zinc/27/59/12/740275912.db2.gz FXFBXSVHSJYJEJ-UHFFFAOYSA-N 0 2 358.759 2.763 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cnn(CC(F)(F)F)c1 ZINC000808114081 741187814 /nfs/dbraw/zinc/18/78/14/741187814.db2.gz PSQRDYSSDFSYHT-UHFFFAOYSA-N 0 2 373.715 2.744 20 10 FFCDLN COC(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115542 741188529 /nfs/dbraw/zinc/18/85/29/741188529.db2.gz IEZCWIJTJOHKFH-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN COc1cc(Cl)cc(C[N@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)c1O ZINC001599420642 997588689 /nfs/dbraw/zinc/58/86/89/997588689.db2.gz MSJPUQXGPZHMGQ-UHFFFAOYSA-N 0 2 373.833 2.673 20 10 FFCDLN COc1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)c1O ZINC001599420642 997588691 /nfs/dbraw/zinc/58/86/91/997588691.db2.gz MSJPUQXGPZHMGQ-UHFFFAOYSA-N 0 2 373.833 2.673 20 10 FFCDLN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000844837044 998161387 /nfs/dbraw/zinc/16/13/87/998161387.db2.gz CHKCKIRYOLAPSH-INIZCTEOSA-N 0 2 372.421 2.801 20 10 FFCDLN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000844837044 998161394 /nfs/dbraw/zinc/16/13/94/998161394.db2.gz CHKCKIRYOLAPSH-INIZCTEOSA-N 0 2 372.421 2.801 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCN(C3CCC3)CC2)c1[O-] ZINC000733296987 998958808 /nfs/dbraw/zinc/95/88/08/998958808.db2.gz HLBPAANBFSNIKW-UHFFFAOYSA-N 0 2 366.461 2.999 20 10 FFCDLN O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147883546 1001001264 /nfs/dbraw/zinc/00/12/64/1001001264.db2.gz FPMWFZQGLUEABV-UHFFFAOYSA-N 0 2 359.389 2.663 20 10 FFCDLN CCOC(=O)c1nnc([C@H](CC(C)C)[NH2+]Cc2cc(F)cc(F)c2O)[n-]1 ZINC001182653378 1002002493 /nfs/dbraw/zinc/00/24/93/1002002493.db2.gz IBOBXMQIUHBZRS-ZDUSSCGKSA-N 0 2 368.384 2.842 20 10 FFCDLN O=S(=O)(Nc1cccc(O)c1O)c1ccc(F)cc1Br ZINC001191365272 1003800442 /nfs/dbraw/zinc/80/04/42/1003800442.db2.gz ZPSJJUFEBWQXKA-UHFFFAOYSA-N 0 2 362.176 2.800 20 10 FFCDLN COc1ccc(-n2c(C)cc(C(=O)NCCc3n[nH]c(=S)o3)c2C)cc1 ZINC000776537309 1005903293 /nfs/dbraw/zinc/90/32/93/1005903293.db2.gz OAMYXDRHWAUQFX-UHFFFAOYSA-N 0 2 372.450 2.747 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001179558977 1009368749 /nfs/dbraw/zinc/36/87/49/1009368749.db2.gz KRRUOJTZBYGECF-TZOQJCELSA-N 0 2 363.369 2.674 20 10 FFCDLN CCCCN1C(=O)COCC12CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001275235475 1012117861 /nfs/dbraw/zinc/11/78/61/1012117861.db2.gz AUMMJMMTKSKVNW-UHFFFAOYSA-N 0 2 373.280 2.912 20 10 FFCDLN COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O ZINC001203581892 1030772183 /nfs/dbraw/zinc/77/21/83/1030772183.db2.gz CTNYMIOVLPFWFO-YSCVYTRNSA-N 0 2 360.237 2.851 20 10 FFCDLN Nc1ccc(CC(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cc1 ZINC001218918827 1033408853 /nfs/dbraw/zinc/40/88/53/1033408853.db2.gz GVCRQXIUSDYLTI-UHFFFAOYSA-N 0 2 372.380 2.931 20 10 FFCDLN [O-]c1c(F)cccc1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001138128330 1033813590 /nfs/dbraw/zinc/81/35/90/1033813590.db2.gz DBIXEZMUYVBGGE-UHFFFAOYSA-N 0 2 356.323 2.662 20 10 FFCDLN Cn1cc2c(n1)CN(Cc1c(O)cc(F)cc1F)C[C@H]2COCC1CC1 ZINC001140581155 1035661795 /nfs/dbraw/zinc/66/17/95/1035661795.db2.gz MLHXXDZFUBWIJG-ZDUSSCGKSA-N 0 2 363.408 2.930 20 10 FFCDLN O=C(Cc1ccsc1)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001233079591 1036325316 /nfs/dbraw/zinc/32/53/16/1036325316.db2.gz GHLWMIRHGXEJRO-UHFFFAOYSA-N 0 2 352.406 2.619 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2CCn3cccc3C2)c1 ZINC001233307454 1036511207 /nfs/dbraw/zinc/51/12/07/1036511207.db2.gz DDPLAUJCTPKLDW-UHFFFAOYSA-N 0 2 365.227 2.759 20 10 FFCDLN COc1cnc(OC2CCN(Cc3c(O)ccc(F)c3F)CC2)nc1 ZINC001233336533 1036544032 /nfs/dbraw/zinc/54/40/32/1036544032.db2.gz OYHXKKWFDQQHLS-UHFFFAOYSA-N 0 2 351.353 2.512 20 10 FFCDLN CO[C@H](C)COc1c(=O)c2c(O)c(O)c(O)cc2oc1-c1ccc(O)cc1 ZINC001234736560 1037160316 /nfs/dbraw/zinc/16/03/16/1037160316.db2.gz ABHBJBLQUKMXIY-SECBINFHSA-N 0 2 374.345 2.696 20 10 FFCDLN CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC001231586941 1037703073 /nfs/dbraw/zinc/70/30/73/1037703073.db2.gz NLQLSLOXEYPTMX-UHFFFAOYSA-N 0 2 367.493 2.722 20 10 FFCDLN CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(OC)cc3Br)C[C@@H]2C1 ZINC001237063941 1038430217 /nfs/dbraw/zinc/43/02/17/1038430217.db2.gz APWHNHAQMANSEE-BETUJISGSA-N 0 2 369.303 2.937 20 10 FFCDLN CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cc(OC)cc3Br)C[C@@H]2C1 ZINC001237063941 1038430220 /nfs/dbraw/zinc/43/02/20/1038430220.db2.gz APWHNHAQMANSEE-BETUJISGSA-N 0 2 369.303 2.937 20 10 FFCDLN CCN(CCn1cc[nH+]c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251415925 1039119557 /nfs/dbraw/zinc/11/95/57/1039119557.db2.gz RFPDXRHHAPGWPZ-UHFFFAOYSA-N 0 2 364.254 2.606 20 10 FFCDLN Cc1c(NS(=O)(=O)c2cccc3nsnc32)ccc2c1OCCO2 ZINC001260388939 1040571296 /nfs/dbraw/zinc/57/12/96/1040571296.db2.gz JRTRDMDLRHLDSC-UHFFFAOYSA-N 0 2 363.420 2.572 20 10 FFCDLN O=S(=O)(Nc1ccccc1C1OCCO1)c1cccc2nsnc21 ZINC001260388820 1040571470 /nfs/dbraw/zinc/57/14/70/1040571470.db2.gz AZWLSWIXRNDWBD-UHFFFAOYSA-N 0 2 363.420 2.538 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1C(C)=O ZINC001260388658 1040571593 /nfs/dbraw/zinc/57/15/93/1040571593.db2.gz SIXWWNOTEKFUII-UHFFFAOYSA-N 0 2 363.420 2.703 20 10 FFCDLN COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)Cc1ccccc1Cl ZINC001260694734 1040728889 /nfs/dbraw/zinc/72/88/89/1040728889.db2.gz KHKJTCKUIIVUGI-UHFFFAOYSA-N 0 2 373.789 2.913 20 10 FFCDLN O=S(=O)(Nc1ccc2nsnc2c1)c1ccc(Cl)c2nonc21 ZINC001261065944 1040973014 /nfs/dbraw/zinc/97/30/14/1040973014.db2.gz SZSBAQOBDXXPHE-UHFFFAOYSA-N 0 2 367.799 2.682 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1C ZINC001261072734 1040977390 /nfs/dbraw/zinc/97/73/90/1040977390.db2.gz DOSZSKYCWFTOIE-UHFFFAOYSA-N 0 2 353.787 2.994 20 10 FFCDLN C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)[C@H](C(N)=O)C1 ZINC001308705164 1052489167 /nfs/dbraw/zinc/48/91/67/1052489167.db2.gz ITSPNENIDHSVPH-PELKAZGASA-N 0 2 361.667 2.894 20 10 FFCDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccc(Cl)c1O ZINC001475773634 1061267184 /nfs/dbraw/zinc/26/71/84/1061267184.db2.gz AQWFLIQXWVRTLV-UHFFFAOYSA-N 0 2 360.750 2.571 20 10 FFCDLN Oc1c(CN2CCN(c3nc(F)c(F)cc3F)CC2)ccc(F)c1F ZINC001474440734 1065521436 /nfs/dbraw/zinc/52/14/36/1065521436.db2.gz TYZIRXVYXWFLOE-UHFFFAOYSA-N 0 2 359.298 2.805 20 10 FFCDLN CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000277154465 510955661 /nfs/dbraw/zinc/95/56/61/510955661.db2.gz CUMAACVHOXEQDN-LLVKDONJSA-N 0 2 364.225 2.974 20 10 FFCDLN COc1cccc(S(O)=CC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000424808889 513288035 /nfs/dbraw/zinc/28/80/35/513288035.db2.gz HNPIETFXNFFSRJ-AREMUKBSSA-N 0 2 370.474 2.919 20 10 FFCDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000526998040 517442851 /nfs/dbraw/zinc/44/28/51/517442851.db2.gz XDBJWAPPMQDKFH-UHFFFAOYSA-N 0 2 354.344 2.539 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c(C)o1 ZINC000163170880 728954102 /nfs/dbraw/zinc/95/41/02/728954102.db2.gz DPLWKXKJXNMKNA-UHFFFAOYSA-N 0 2 368.392 2.892 20 10 FFCDLN N#Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1C(F)(F)F ZINC000163859809 728961890 /nfs/dbraw/zinc/96/18/90/728961890.db2.gz SYKAIYBTYFSBSP-UHFFFAOYSA-N 0 2 368.296 2.914 20 10 FFCDLN Cc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1[N+](=O)[O-] ZINC000192835215 729460494 /nfs/dbraw/zinc/46/04/94/729460494.db2.gz JHTGPIFZTJRHMS-UHFFFAOYSA-N 0 2 350.381 2.709 20 10 FFCDLN Cc1c(F)cccc1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000743050632 735274696 /nfs/dbraw/zinc/27/46/96/735274696.db2.gz XSFZASBMKWXHCR-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN O=C1CCCN1C1CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000897781153 735276724 /nfs/dbraw/zinc/27/67/24/735276724.db2.gz RAXDQRNLRDXOHA-UHFFFAOYSA-N 0 2 359.651 2.615 20 10 FFCDLN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1O ZINC000775664917 738110765 /nfs/dbraw/zinc/11/07/65/738110765.db2.gz RFMIAAQQJQMBMR-UHFFFAOYSA-N 0 2 364.804 2.951 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc2c(c1)OCO2 ZINC000778079294 738350684 /nfs/dbraw/zinc/35/06/84/738350684.db2.gz XHTLPYSPYXGXRP-UHFFFAOYSA-N 0 2 361.404 2.735 20 10 FFCDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115125 741188554 /nfs/dbraw/zinc/18/85/54/741188554.db2.gz PIOJPJKNAIFDDC-UHFFFAOYSA-N 0 2 354.190 2.681 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000808525490 741232515 /nfs/dbraw/zinc/23/25/15/741232515.db2.gz BPTBDBNKCBUKKX-UHFFFAOYSA-N 0 2 360.464 2.751 20 10 FFCDLN COc1ccc(N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)cc1F ZINC000084937249 966218516 /nfs/dbraw/zinc/21/85/16/966218516.db2.gz CHIMOGPPZRTUFQ-UHFFFAOYSA-N 0 2 366.339 2.781 20 10 FFCDLN Cc1cnn(-c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2F)c1 ZINC000765089179 984958249 /nfs/dbraw/zinc/95/82/49/984958249.db2.gz HRVKUZFUNSAKPE-UHFFFAOYSA-N 0 2 373.369 2.657 20 10 FFCDLN Cc1c(NCc2cc([N+](=O)[O-])ccc2O)cccc1N1C(=O)N[C@@H](C)C1=O ZINC000808446734 994120662 /nfs/dbraw/zinc/12/06/62/994120662.db2.gz LLDMPFTXKWNLAT-NSHDSACASA-N 0 2 370.365 2.666 20 10 FFCDLN C[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cc(C(=O)[O-])ccc1O ZINC001593318009 994826125 /nfs/dbraw/zinc/82/61/25/994826125.db2.gz XZBBMHYKYVDWBU-GFCCVEGCSA-N 0 2 370.384 2.720 20 10 FFCDLN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCc2n[nH]c(=O)[nH]2)cc1 ZINC000772707821 1001724227 /nfs/dbraw/zinc/72/42/27/1001724227.db2.gz VRPFGTDGLDAGKP-UHFFFAOYSA-N 0 2 365.397 2.922 20 10 FFCDLN C[C@H](C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O)n1cc[nH+]c1 ZINC001177925610 1008792269 /nfs/dbraw/zinc/79/22/69/1008792269.db2.gz NEKIFHITBKFFTC-LLVKDONJSA-N 0 2 361.357 2.564 20 10 FFCDLN CN1CCCC[C@H]1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001178697007 1009095399 /nfs/dbraw/zinc/09/53/99/1009095399.db2.gz RMAZLLZPTVYLTR-KRWDZBQOSA-N 0 2 364.401 2.590 20 10 FFCDLN O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1cc2ccnc(Cl)c2s1 ZINC001182352889 1010532952 /nfs/dbraw/zinc/53/29/52/1010532952.db2.gz DNJALXFFPGSWOV-UHFFFAOYSA-N 0 2 361.839 2.946 20 10 FFCDLN CCc1ccccc1N1CC(=O)C(C(=O)NCc2c(O)cccc2F)=N1 ZINC001156170011 1029073427 /nfs/dbraw/zinc/07/34/27/1029073427.db2.gz BQOUXKAJQQGLGE-UHFFFAOYSA-N 0 2 355.369 2.915 20 10 FFCDLN Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1cccc2nonc21 ZINC000799127144 1031656847 /nfs/dbraw/zinc/65/68/47/1031656847.db2.gz MSJDHJZUMYUZDR-UHFFFAOYSA-N 0 2 369.406 2.733 20 10 FFCDLN Oc1c(F)cccc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001138127406 1033809203 /nfs/dbraw/zinc/80/92/03/1033809203.db2.gz ZYWYJHDAOHUDDF-BMGDILEWSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001138127406 1033809212 /nfs/dbraw/zinc/80/92/12/1033809212.db2.gz ZYWYJHDAOHUDDF-BMGDILEWSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001138127406 1033809221 /nfs/dbraw/zinc/80/92/21/1033809221.db2.gz ZYWYJHDAOHUDDF-BMGDILEWSA-N 0 2 358.413 2.985 20 10 FFCDLN O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O[C@@H]3COC[C@H]3F)c12 ZINC001227029186 1034914409 /nfs/dbraw/zinc/91/44/09/1034914409.db2.gz DPRIWLINBUZWLM-ADLMAVQZSA-N 0 2 374.320 2.693 20 10 FFCDLN O=C1NCCN(Cc2c(F)ccc(F)c2O)[C@H]1c1ccc(Cl)cc1 ZINC001139686820 1035197572 /nfs/dbraw/zinc/19/75/72/1035197572.db2.gz GPXZPZJXKSQEHR-HNNXBMFYSA-N 0 2 352.768 2.997 20 10 FFCDLN COC(=O)[C@@H](C)Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227504992 1035588911 /nfs/dbraw/zinc/58/89/11/1035588911.db2.gz MUGADIMSRUZYEP-SNVBAGLBSA-N 0 2 356.330 2.812 20 10 FFCDLN Oc1cc(F)cc(F)c1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001140581156 1035662498 /nfs/dbraw/zinc/66/24/98/1035662498.db2.gz QZZSKNBAXUYASY-CQSZACIVSA-N 0 2 363.408 2.926 20 10 FFCDLN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(O)cc(F)cc1F ZINC001140582118 1035664338 /nfs/dbraw/zinc/66/43/38/1035664338.db2.gz DDRPQGFSZCCQGS-ZDUSSCGKSA-N 0 2 372.412 2.738 20 10 FFCDLN COc1ccc(C(=O)N2CCN(Cc3c(O)cc(F)cc3F)CC2)cc1 ZINC001140585396 1035671662 /nfs/dbraw/zinc/67/16/62/1035671662.db2.gz HZIHWDTVQGPHKJ-UHFFFAOYSA-N 0 2 362.376 2.637 20 10 FFCDLN CC(=O)[C@@H](C)Oc1c(=O)c2c(O)cc(O)c(O)c2oc1-c1ccc(O)cc1 ZINC001230165827 1037126829 /nfs/dbraw/zinc/12/68/29/1037126829.db2.gz KVSSIDGNVZJSPZ-SECBINFHSA-N 0 2 372.329 2.639 20 10 FFCDLN CC(=O)[C@@H](C)Oc1c(=O)c2c(cc(O)c(O)c2O)oc1-c1ccc(O)cc1 ZINC001234738249 1037162585 /nfs/dbraw/zinc/16/25/85/1037162585.db2.gz ZNSNZXVSPGJWIS-SECBINFHSA-N 0 2 372.329 2.639 20 10 FFCDLN COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1cc(F)ccc1C ZINC001258926954 1039591469 /nfs/dbraw/zinc/59/14/69/1039591469.db2.gz RELVARUIUKZAFF-UHFFFAOYSA-N 0 2 357.334 2.566 20 10 FFCDLN O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001278606059 1041392728 /nfs/dbraw/zinc/39/27/28/1041392728.db2.gz QVJOBJNZXUKSLI-OKILXGFUSA-N 0 2 360.364 2.556 20 10 FFCDLN CCN(C(=O)c1n[nH]c2c1CN(Cc1c(F)ccc(F)c1O)C2)C(C)C ZINC001279740092 1043562483 /nfs/dbraw/zinc/56/24/83/1043562483.db2.gz LMZGPXJQEWRPOQ-UHFFFAOYSA-N 0 2 364.396 2.780 20 10 FFCDLN NC(=O)c1ccc2c(n1)CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001279971737 1044010592 /nfs/dbraw/zinc/01/05/92/1044010592.db2.gz HWAZWBPLAGVVEB-UHFFFAOYSA-N 0 2 352.221 2.751 20 10 FFCDLN Cc1c(NS(=O)(=O)c2cccc3nsnc32)cccc1[N+](=O)[O-] ZINC000014253997 506982998 /nfs/dbraw/zinc/98/29/98/506982998.db2.gz FDDPEDDLXZGOTA-UHFFFAOYSA-N 0 2 350.381 2.709 20 10 FFCDLN CN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CCC1 ZINC000091683875 508001465 /nfs/dbraw/zinc/00/14/65/508001465.db2.gz ALJHAXWFOXYDPV-UHFFFAOYSA-N 0 2 366.464 2.879 20 10 FFCDLN OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297592584 511000487 /nfs/dbraw/zinc/00/04/87/511000487.db2.gz HQQNLENNUUCNLM-UFYCRDLUSA-N 0 2 352.478 2.852 20 10 FFCDLN COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccnn3C(C)C)CC2)cc1 ZINC000279826024 511230151 /nfs/dbraw/zinc/23/01/51/511230151.db2.gz GQYQMNDGHMJMQB-UHFFFAOYSA-N 0 2 371.529 2.775 20 10 FFCDLN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)c(F)c(O)c1F ZINC000272623497 511501421 /nfs/dbraw/zinc/50/14/21/511501421.db2.gz RTARQZMYJRUVCQ-UHFFFAOYSA-N 0 2 366.339 2.576 20 10 FFCDLN Cc1cccc2[nH+]cc(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)n21 ZINC000531376547 516436881 /nfs/dbraw/zinc/43/68/81/516436881.db2.gz CKKQOBRCXRCUBB-UKTHLTGXSA-N 0 2 372.384 2.995 20 10 FFCDLN Cc1ccc2[nH+]c(/C=C3/CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)cn2c1 ZINC000559938352 517496528 /nfs/dbraw/zinc/49/65/28/517496528.db2.gz BUHSENUJEJGBLO-JYRVWZFOSA-N 0 2 372.384 2.995 20 10 FFCDLN CC(=O)c1cc(F)cc(CN(C)Cc2nc(=O)c3sccc3[nH]2)c1O ZINC000131573777 728722574 /nfs/dbraw/zinc/72/25/74/728722574.db2.gz YAVWARSZEOVFSY-UHFFFAOYSA-N 0 2 361.398 2.664 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(Br)c2)ccc1O ZINC000133739482 728727714 /nfs/dbraw/zinc/72/77/14/728727714.db2.gz KNTICFZRWVMUKG-UHFFFAOYSA-N 0 2 373.184 2.864 20 10 FFCDLN CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cn1 ZINC000181033416 729231749 /nfs/dbraw/zinc/23/17/49/729231749.db2.gz UJHQDLIXDPLDMZ-UHFFFAOYSA-N 0 2 362.436 2.800 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000779460079 738466313 /nfs/dbraw/zinc/46/63/13/738466313.db2.gz JSQUPJPVPQKISD-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048858 732001760 /nfs/dbraw/zinc/00/17/60/732001760.db2.gz DVWPXLIORFOLRB-JQWIXIFHSA-N 0 2 367.808 2.609 20 10 FFCDLN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048858 732001761 /nfs/dbraw/zinc/00/17/61/732001761.db2.gz DVWPXLIORFOLRB-JQWIXIFHSA-N 0 2 367.808 2.609 20 10 FFCDLN O=C1CC[C@@H]2CN(Cc3cc(Cl)cc(Br)c3O)CCN12 ZINC000708211224 734362999 /nfs/dbraw/zinc/36/29/99/734362999.db2.gz LSNRTGMKCOINOV-LLVKDONJSA-N 0 2 359.651 2.615 20 10 FFCDLN CCn1cc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cn1 ZINC000727242195 734473934 /nfs/dbraw/zinc/47/39/34/734473934.db2.gz WBJXLZROBCRLGZ-UHFFFAOYSA-N 0 2 364.452 2.836 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc4cccnc43)n2)cn1 ZINC000743046688 735274265 /nfs/dbraw/zinc/27/42/65/735274265.db2.gz KOMDLJDHHPSBRI-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN O=S(=O)(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc2nonc21 ZINC000759145626 736550582 /nfs/dbraw/zinc/55/05/82/736550582.db2.gz DISHDKATYLHPOQ-UHFFFAOYSA-N 0 2 365.321 2.838 20 10 FFCDLN CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2cccc3nonc32)c1C ZINC000765052961 737076602 /nfs/dbraw/zinc/07/66/02/737076602.db2.gz QUKXPRVFJFPPHB-UHFFFAOYSA-N 0 2 360.395 2.599 20 10 FFCDLN Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1OC(F)F ZINC000765077671 737079635 /nfs/dbraw/zinc/07/96/35/737079635.db2.gz DOBFNUGGZXOMLB-UHFFFAOYSA-N 0 2 355.322 2.933 20 10 FFCDLN CC(C)OCc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1O ZINC000811703185 741549695 /nfs/dbraw/zinc/54/96/95/741549695.db2.gz LUEVAUFBWMOUDY-UHFFFAOYSA-N 0 2 359.835 2.505 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1OC ZINC000775286942 738078499 /nfs/dbraw/zinc/07/84/99/738078499.db2.gz RHGYZXYJGAGZJG-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN O=C(NCc1ccc(O)c(O)c1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000789996857 739403856 /nfs/dbraw/zinc/40/38/56/739403856.db2.gz VPWNQELXBSTQKD-UHFFFAOYSA-N 0 2 359.769 2.573 20 10 FFCDLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000790067683 739416239 /nfs/dbraw/zinc/41/62/39/739416239.db2.gz IUBOANZQEMRIOM-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000795543113 740034601 /nfs/dbraw/zinc/03/46/01/740034601.db2.gz AQKCQXZERXLAHW-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1O ZINC000797820195 740276304 /nfs/dbraw/zinc/27/63/04/740276304.db2.gz KYOLEHMBDQVPMS-UHFFFAOYSA-N 0 2 356.331 2.557 20 10 FFCDLN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1C ZINC000799120761 740388732 /nfs/dbraw/zinc/38/87/32/740388732.db2.gz SJDWUXHWOAHTSB-UHFFFAOYSA-N 0 2 362.436 2.759 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cccc2c1OCO2 ZINC000800925310 740566450 /nfs/dbraw/zinc/56/64/50/740566450.db2.gz QFPKSXPCKGSLSA-UHFFFAOYSA-N 0 2 361.404 2.735 20 10 FFCDLN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Br)cc1O ZINC000824938766 743182280 /nfs/dbraw/zinc/18/22/80/743182280.db2.gz LUULCDPFYKWNSI-VYDXJSESSA-N 0 2 369.303 2.838 20 10 FFCDLN C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1O ZINC000841765436 747453514 /nfs/dbraw/zinc/45/35/14/747453514.db2.gz YCINUTKJFFGTJK-ZDUSSCGKSA-N 0 2 353.894 2.639 20 10 FFCDLN Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000748056611 958922928 /nfs/dbraw/zinc/92/29/28/958922928.db2.gz BTYYFCLGRDCWQP-UHFFFAOYSA-N 0 2 353.426 2.971 20 10 FFCDLN COC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708210543 967267618 /nfs/dbraw/zinc/26/76/18/967267618.db2.gz DPAIJOJHPDTOJD-UHFFFAOYSA-N 0 2 363.639 2.692 20 10 FFCDLN Oc1c(I)cccc1C[NH+]1CC2(C1)CCCOC2 ZINC001237778247 992710206 /nfs/dbraw/zinc/71/02/06/992710206.db2.gz VMEXJXDPABXPSU-UHFFFAOYSA-N 0 2 359.207 2.609 20 10 FFCDLN COc1ccc(CNC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c(O)c1 ZINC000794381075 1003620876 /nfs/dbraw/zinc/62/08/76/1003620876.db2.gz KBVFHILNNPKAQS-UHFFFAOYSA-N 0 2 371.368 2.670 20 10 FFCDLN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ccc(Br)cn1 ZINC001196166350 1003692279 /nfs/dbraw/zinc/69/22/79/1003692279.db2.gz DWMVVMHJZAAQEE-UHFFFAOYSA-N 0 2 365.155 2.629 20 10 FFCDLN COc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1Cl ZINC001193360785 1004465065 /nfs/dbraw/zinc/46/50/65/1004465065.db2.gz KDXSFFUWQVVUJF-UHFFFAOYSA-N 0 2 370.814 2.813 20 10 FFCDLN CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193633829 1004530140 /nfs/dbraw/zinc/53/01/40/1004530140.db2.gz IDQJCQRMYMVQGY-UHFFFAOYSA-N 0 2 368.861 2.561 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1ccc(F)nc1 ZINC001188654281 1006651759 /nfs/dbraw/zinc/65/17/59/1006651759.db2.gz FAZYIMOMKBHQDR-UHFFFAOYSA-N 0 2 362.316 2.954 20 10 FFCDLN C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000827786316 1018664200 /nfs/dbraw/zinc/66/42/00/1018664200.db2.gz ISUSUIIAXZBZCT-CRAIPNDOSA-N 0 2 371.447 2.980 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000756742821 1023751745 /nfs/dbraw/zinc/75/17/45/1023751745.db2.gz PJOMIUYNLVOXGO-ZDUSSCGKSA-N 0 2 352.394 2.610 20 10 FFCDLN O=C(N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1)C(F)(F)F ZINC001203574039 1030770491 /nfs/dbraw/zinc/77/04/91/1030770491.db2.gz LIVRZPRCPAFEOQ-UHFFFAOYSA-N 0 2 357.159 2.906 20 10 FFCDLN CC(=O)[C@H](C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227030535 1034914748 /nfs/dbraw/zinc/91/47/48/1034914748.db2.gz BLBRSKMCWLGEJM-JTQLQIEISA-N 0 2 356.330 2.933 20 10 FFCDLN CCOC(=O)c1nc2c(s1)CN(Cc1c(F)ccc(F)c1O)CC2 ZINC001139685182 1035197712 /nfs/dbraw/zinc/19/77/12/1035197712.db2.gz ANUZNUCOOJZIKR-UHFFFAOYSA-N 0 2 354.378 2.862 20 10 FFCDLN O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O[C@@H]3COC[C@H]3F)c12 ZINC001229698846 1036837783 /nfs/dbraw/zinc/83/77/83/1036837783.db2.gz IJGHYTXYTNYHGL-BDJLRTHQSA-N 0 2 374.320 2.693 20 10 FFCDLN COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1cccc(Cl)c1 ZINC001256804906 1038623488 /nfs/dbraw/zinc/62/34/88/1038623488.db2.gz YZDJVVOVXDDIQJ-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN COc1ccc2ccc(NS(=O)(=O)c3cccc4nonc43)cc2n1 ZINC001260442341 1040594941 /nfs/dbraw/zinc/59/49/41/1040594941.db2.gz YAFQETSJGIFGPV-UHFFFAOYSA-N 0 2 356.363 2.580 20 10 FFCDLN Cn1cnc2ccc(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc21 ZINC001261072766 1040977725 /nfs/dbraw/zinc/97/77/25/1040977725.db2.gz FXPNLOXLVRPIEI-UHFFFAOYSA-N 0 2 363.786 2.564 20 10 FFCDLN Cc1ncsc1CN1CCC12CN(Cc1c(O)cc(F)cc1F)C2 ZINC001278606158 1041393913 /nfs/dbraw/zinc/39/39/13/1041393913.db2.gz SQUTVRPSOFYMPP-UHFFFAOYSA-N 0 2 351.422 2.896 20 10 FFCDLN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc2nsnc21 ZINC000052798232 205187154 /nfs/dbraw/zinc/18/71/54/205187154.db2.gz BHDGCIPHYSXDKN-UHFFFAOYSA-N 0 2 357.420 2.882 20 10 FFCDLN CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1 ZINC000093923836 508161318 /nfs/dbraw/zinc/16/13/18/508161318.db2.gz IGBQHXVPWQSGJO-UHFFFAOYSA-N 0 2 366.464 2.879 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+](C)CC[C@H](C)O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859568 601019006 /nfs/dbraw/zinc/01/90/06/601019006.db2.gz TYTXXUOHKAJOQS-AWEZNQCLSA-N 0 2 358.438 2.678 20 10 FFCDLN Cc1cc(C(=O)C[N@H+](C)CC[C@H](C)O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859568 601019008 /nfs/dbraw/zinc/01/90/08/601019008.db2.gz TYTXXUOHKAJOQS-AWEZNQCLSA-N 0 2 358.438 2.678 20 10 FFCDLN O=C([O-])C[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Cl)ccc1O ZINC000833249537 601418795 /nfs/dbraw/zinc/41/87/95/601418795.db2.gz WDOSDRSPXBYSFP-UHFFFAOYSA-N 0 2 372.812 2.713 20 10 FFCDLN O=C([O-])C[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Cl)ccc1O ZINC000833249537 601418796 /nfs/dbraw/zinc/41/87/96/601418796.db2.gz WDOSDRSPXBYSFP-UHFFFAOYSA-N 0 2 372.812 2.713 20 10 FFCDLN O=C([C@H]1CCCO1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000161003660 728927961 /nfs/dbraw/zinc/92/79/61/728927961.db2.gz HFODXMZKBFVZHT-CQSZACIVSA-N 0 2 359.253 2.522 20 10 FFCDLN COC(=O)c1cc(-c2csc(NS(=O)(=O)c3cccs3)n2)c[nH]1 ZINC000066250913 728168429 /nfs/dbraw/zinc/16/84/29/728168429.db2.gz JFOCWZBCUCOUMS-UHFFFAOYSA-N 0 2 369.449 2.787 20 10 FFCDLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cn1 ZINC000182477603 729279417 /nfs/dbraw/zinc/27/94/17/729279417.db2.gz JWMXUKQTJNQBGN-UHFFFAOYSA-N 0 2 359.407 2.696 20 10 FFCDLN Cc1cc(NS(=O)(=O)c2cnn(C)c2Br)c(C)c(C)c1O ZINC000872363894 731756562 /nfs/dbraw/zinc/75/65/62/731756562.db2.gz VSWNUSYBIKWTHT-UHFFFAOYSA-N 0 2 374.260 2.614 20 10 FFCDLN COC(=O)C[C@@H]1CSCCN1Cc1cc(C)cc(Br)c1O ZINC000781913395 738672234 /nfs/dbraw/zinc/67/22/34/738672234.db2.gz TYDYQKINHZCVRT-GFCCVEGCSA-N 0 2 374.300 2.944 20 10 FFCDLN COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781913395 738672240 /nfs/dbraw/zinc/67/22/40/738672240.db2.gz TYDYQKINHZCVRT-GFCCVEGCSA-N 0 2 374.300 2.944 20 10 FFCDLN COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781913395 738672245 /nfs/dbraw/zinc/67/22/45/738672245.db2.gz TYDYQKINHZCVRT-GFCCVEGCSA-N 0 2 374.300 2.944 20 10 FFCDLN COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccnn2C)n1 ZINC000727245122 734473823 /nfs/dbraw/zinc/47/38/23/734473823.db2.gz CGWIBSWSCRHVLD-UHFFFAOYSA-N 0 2 364.452 2.661 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc4ncccc43)n2)cn1 ZINC000743050581 735274905 /nfs/dbraw/zinc/27/49/05/735274905.db2.gz UZUGJWZIZSJZRE-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nonc21 ZINC000753924224 736106986 /nfs/dbraw/zinc/10/69/86/736106986.db2.gz RNVBGQLQSMKWJI-UHFFFAOYSA-N 0 2 352.803 2.743 20 10 FFCDLN O=C(OCC(F)F)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785407344 738961749 /nfs/dbraw/zinc/96/17/49/738961749.db2.gz HXPHPKJSCHHVIL-UHFFFAOYSA-N 0 2 363.363 2.676 20 10 FFCDLN CC(C)OCc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1O ZINC000811704169 741549601 /nfs/dbraw/zinc/54/96/01/741549601.db2.gz BCUAWNLOQXLWPW-UHFFFAOYSA-N 0 2 363.395 2.654 20 10 FFCDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000775286340 738078514 /nfs/dbraw/zinc/07/85/14/738078514.db2.gz PPDVHDXOZUERBB-UHFFFAOYSA-N 0 2 367.339 2.626 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000775288113 738078911 /nfs/dbraw/zinc/07/89/11/738078911.db2.gz KUOLHUKLHAALLF-UHFFFAOYSA-N 0 2 373.730 2.663 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000792702164 739695378 /nfs/dbraw/zinc/69/53/78/739695378.db2.gz OQIWZVYNKRLCGD-UHFFFAOYSA-N 0 2 353.421 2.686 20 10 FFCDLN C[C@@H](O)c1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F ZINC000795380793 740013501 /nfs/dbraw/zinc/01/35/01/740013501.db2.gz KZUILTSZWYRFNU-MRVPVSSYSA-N 0 2 353.400 2.685 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)cs2)cc1C ZINC000829748108 745254061 /nfs/dbraw/zinc/25/40/61/745254061.db2.gz FBWHPMANHKNEOK-UHFFFAOYSA-N 0 2 374.509 2.927 20 10 FFCDLN COCc1cc(O)ccc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000840916771 747223886 /nfs/dbraw/zinc/22/38/86/747223886.db2.gz DEPOZMIYHKCHRQ-UHFFFAOYSA-N 0 2 367.471 2.809 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)CCO2 ZINC000060471926 845422067 /nfs/dbraw/zinc/42/20/67/845422067.db2.gz CTFTYIWDTGTATJ-UHFFFAOYSA-N 0 2 359.432 2.941 20 10 FFCDLN CC[C@@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H](C)[S@@]1=O ZINC001595489999 981240949 /nfs/dbraw/zinc/24/09/49/981240949.db2.gz YJSIQMKJGKNNJU-GAYUNNFGSA-N 0 2 366.458 2.747 20 10 FFCDLN CC[C@@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H](C)[S@@]1=O ZINC001595489999 981240952 /nfs/dbraw/zinc/24/09/52/981240952.db2.gz YJSIQMKJGKNNJU-GAYUNNFGSA-N 0 2 366.458 2.747 20 10 FFCDLN CC[N@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1O ZINC001596224844 983615608 /nfs/dbraw/zinc/61/56/08/983615608.db2.gz DROATKQGCFWBJV-UHFFFAOYSA-N 0 2 367.037 2.824 20 10 FFCDLN CC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1O ZINC001596224844 983615611 /nfs/dbraw/zinc/61/56/11/983615611.db2.gz DROATKQGCFWBJV-UHFFFAOYSA-N 0 2 367.037 2.824 20 10 FFCDLN O=C1CCCCN1c1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000765049898 984946407 /nfs/dbraw/zinc/94/64/07/984946407.db2.gz UMUWZUDZHWQAGA-UHFFFAOYSA-N 0 2 372.406 2.541 20 10 FFCDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)n[nH]1 ZINC000765100240 984963444 /nfs/dbraw/zinc/96/34/44/984963444.db2.gz UVEJIBIQRRIDDA-UHFFFAOYSA-N 0 2 371.378 2.847 20 10 FFCDLN COc1ccc(N(C)CCN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000846442507 1000314808 /nfs/dbraw/zinc/31/48/08/1000314808.db2.gz RNBRDOOCVHIPMI-UHFFFAOYSA-N 0 2 359.382 2.517 20 10 FFCDLN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)c1cnc(Cl)nc1 ZINC001185047695 1002795647 /nfs/dbraw/zinc/79/56/47/1002795647.db2.gz RWBYVCWGBFBEGH-UHFFFAOYSA-N 0 2 353.709 2.655 20 10 FFCDLN O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1cncc(Br)c1 ZINC001186411497 1003304389 /nfs/dbraw/zinc/30/43/89/1003304389.db2.gz ATESRZRACCPFSD-UHFFFAOYSA-N 0 2 365.155 2.629 20 10 FFCDLN O=C(N[C@H]1SC(=O)NC1=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278461 1004929776 /nfs/dbraw/zinc/92/97/76/1004929776.db2.gz GOOAYFDNBCDPRS-CVTQAYBASA-N 0 2 356.363 2.847 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1cnn(-c2ccccc2OC)c1 ZINC000189433445 1023281701 /nfs/dbraw/zinc/28/17/01/1023281701.db2.gz JVTYGXPLADPRAF-UHFFFAOYSA-N 0 2 373.434 2.950 20 10 FFCDLN OC[C@@H]1C[C@@H](F)CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367669 1026042812 /nfs/dbraw/zinc/04/28/12/1026042812.db2.gz LABZEIMCVXJQFL-LDYMZIIASA-N 0 2 352.631 2.960 20 10 FFCDLN O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1cc2c(cncc2Cl)s1 ZINC001160559140 1027751179 /nfs/dbraw/zinc/75/11/79/1027751179.db2.gz AGSMWVFTQIVXAF-UHFFFAOYSA-N 0 2 361.839 2.946 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cnn2c1CCC2 ZINC001154054446 1028128820 /nfs/dbraw/zinc/12/88/20/1028128820.db2.gz IQGLEPLDKFWPKY-UHFFFAOYSA-N 0 2 373.368 2.563 20 10 FFCDLN O=C1[C@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128364 1033813295 /nfs/dbraw/zinc/81/32/95/1033813295.db2.gz FRJAIAJAEHRSGD-WMZOPIPTSA-N 0 2 368.408 2.681 20 10 FFCDLN O=C1[C@H]2CCC[N@H+](Cc3cccc(F)c3[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128364 1033813309 /nfs/dbraw/zinc/81/33/09/1033813309.db2.gz FRJAIAJAEHRSGD-WMZOPIPTSA-N 0 2 368.408 2.681 20 10 FFCDLN CCOC(=O)c1cnc2n1CCN(Cc1c(F)ccc(F)c1O)[C@@H]2C ZINC001139686759 1035197960 /nfs/dbraw/zinc/19/79/60/1035197960.db2.gz DUAFWEKEXODQDR-SNVBAGLBSA-N 0 2 351.353 2.620 20 10 FFCDLN O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140583647 1035664874 /nfs/dbraw/zinc/66/48/74/1035664874.db2.gz PTCYSTAFLNGIPE-AWEZNQCLSA-N 0 2 353.390 2.719 20 10 FFCDLN Oc1c(CN2Cc3nccn3C[C@H](COCC3CC3)C2)ccc(F)c1F ZINC001233074015 1036319517 /nfs/dbraw/zinc/31/95/17/1036319517.db2.gz GETDNZRACNVPIA-CQSZACIVSA-N 0 2 363.408 2.926 20 10 FFCDLN OCc1ncn2c1CN(Cc1cc(Cl)cc(Br)c1O)CC2 ZINC001235502789 1037591715 /nfs/dbraw/zinc/59/17/15/1037591715.db2.gz YCTYXFGCTWWZOX-UHFFFAOYSA-N 0 2 372.650 2.513 20 10 FFCDLN CC(C)[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC001251415817 1039120733 /nfs/dbraw/zinc/12/07/33/1039120733.db2.gz NSZVHZGUPANQGT-JTQLQIEISA-N 0 2 367.298 2.802 20 10 FFCDLN CC(C)[N@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC001251415817 1039120741 /nfs/dbraw/zinc/12/07/41/1039120741.db2.gz NSZVHZGUPANQGT-JTQLQIEISA-N 0 2 367.298 2.802 20 10 FFCDLN COc1ccc(CN2CCC[C@@H]3C[C@@H]32)c(O)c1I ZINC001248499021 1040303057 /nfs/dbraw/zinc/30/30/57/1040303057.db2.gz ZKWAARSIEOMRHH-KOLCDFICSA-N 0 2 359.207 2.990 20 10 FFCDLN COc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1I ZINC001248499021 1040303069 /nfs/dbraw/zinc/30/30/69/1040303069.db2.gz ZKWAARSIEOMRHH-KOLCDFICSA-N 0 2 359.207 2.990 20 10 FFCDLN COc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1I ZINC001248499021 1040303080 /nfs/dbraw/zinc/30/30/80/1040303080.db2.gz ZKWAARSIEOMRHH-KOLCDFICSA-N 0 2 359.207 2.990 20 10 FFCDLN Cc1cc(=O)[nH]c2cc(NS(=O)(=O)c3cccc4nonc43)ccc12 ZINC001260441002 1040591966 /nfs/dbraw/zinc/59/19/66/1040591966.db2.gz GMFYRMXDDJEGAB-UHFFFAOYSA-N 0 2 356.363 2.586 20 10 FFCDLN O=C(c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1)C(F)(F)F ZINC001260440780 1040593180 /nfs/dbraw/zinc/59/31/80/1040593180.db2.gz LSEFBCOVZSVXET-UHFFFAOYSA-N 0 2 371.296 2.769 20 10 FFCDLN CC(C)Oc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1F ZINC001260442356 1040594362 /nfs/dbraw/zinc/59/43/62/1040594362.db2.gz YWMLSMYIBJUPCS-UHFFFAOYSA-N 0 2 351.359 2.950 20 10 FFCDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1O ZINC001261073035 1040978456 /nfs/dbraw/zinc/97/84/56/1040978456.db2.gz NTYYSUSPBXSUOW-UHFFFAOYSA-N 0 2 367.770 2.585 20 10 FFCDLN CCN(C(=O)[C@H]1CCC2(CN(Cc3c(F)ccc(F)c3O)C2)O1)C(C)C ZINC001279739764 1043562526 /nfs/dbraw/zinc/56/25/26/1043562526.db2.gz CUMOMDLTIYGUFI-MRXNPFEDSA-N 0 2 368.424 2.661 20 10 FFCDLN Cc1c(NCc2cc([N+](=O)[O-])ccc2O)nnn1Cc1ccccc1F ZINC001308427667 1052455548 /nfs/dbraw/zinc/45/55/48/1052455548.db2.gz FUTNLYNEVSTKQH-UHFFFAOYSA-N 0 2 357.345 3.000 20 10 FFCDLN Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cnn(C)c3C)n2)s1 ZINC000291840659 511359786 /nfs/dbraw/zinc/35/97/86/511359786.db2.gz HKHKUKSPSOJHBA-UHFFFAOYSA-N 0 2 369.497 2.726 20 10 FFCDLN Cc1cccn2c(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)c[nH+]c12 ZINC000607436280 521370037 /nfs/dbraw/zinc/37/00/37/521370037.db2.gz WLZGTNZPDVVZFT-UKTHLTGXSA-N 0 2 372.384 2.995 20 10 FFCDLN O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1cc(-c2ccccc2)ns1 ZINC000746213093 735470581 /nfs/dbraw/zinc/47/05/81/735470581.db2.gz ONHCSYMATDKXHC-UHFFFAOYSA-N 0 2 353.432 2.806 20 10 FFCDLN Cc1ncc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)n1C ZINC000863433588 730781265 /nfs/dbraw/zinc/78/12/65/730781265.db2.gz ARGDDMUVCPOFRX-UHFFFAOYSA-N 0 2 360.464 2.751 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccc(F)cc3F)n2)cn1 ZINC000743050000 735274779 /nfs/dbraw/zinc/27/47/79/735274779.db2.gz MSHSCINGTPTGKP-UHFFFAOYSA-N 0 2 356.379 2.623 20 10 FFCDLN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cnc2n1CCCC2 ZINC000901916288 735868174 /nfs/dbraw/zinc/86/81/74/735868174.db2.gz IIJFVZBBAVNZIQ-UHFFFAOYSA-N 0 2 351.428 2.513 20 10 FFCDLN Cn1nc(C2CC2)cc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000903571811 736115863 /nfs/dbraw/zinc/11/58/63/736115863.db2.gz QABRCKQYUVCYIG-UHFFFAOYSA-N 0 2 361.452 2.617 20 10 FFCDLN Cc1coc(-c2cccc(NS(=O)(=O)c3cccc4nonc43)c2)n1 ZINC000765099350 737082341 /nfs/dbraw/zinc/08/23/41/737082341.db2.gz PBFZJBMQEUZRPV-UHFFFAOYSA-N 0 2 356.363 2.987 20 10 FFCDLN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3cccc4nonc43)cc2O1 ZINC000785490513 738969432 /nfs/dbraw/zinc/96/94/32/738969432.db2.gz ZJHLBGOPXMQFLP-MRXNPFEDSA-N 0 2 361.379 2.921 20 10 FFCDLN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000775286353 738078431 /nfs/dbraw/zinc/07/84/31/738078431.db2.gz QFKNYZXWYQGDFA-UHFFFAOYSA-N 0 2 352.368 2.727 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000775287281 738078776 /nfs/dbraw/zinc/07/87/76/738078776.db2.gz XZDBBTYFXJXCHD-UHFFFAOYSA-N 0 2 373.333 2.581 20 10 FFCDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)s1 ZINC000776748070 738229047 /nfs/dbraw/zinc/22/90/47/738229047.db2.gz VHWFGIRJCUEXHO-JTQLQIEISA-N 0 2 354.453 2.760 20 10 FFCDLN O=C1CN(Cc2cc(Cl)cc(Cl)c2O)CCN1CC(F)(F)F ZINC000809711319 741335337 /nfs/dbraw/zinc/33/53/37/741335337.db2.gz TWAVMGKNPYMGNG-UHFFFAOYSA-N 0 2 357.159 2.906 20 10 FFCDLN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827850259 744989873 /nfs/dbraw/zinc/98/98/73/744989873.db2.gz MRBLFWHZAHQZOJ-SKDRFNHKSA-N 0 2 350.768 2.935 20 10 FFCDLN C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827850259 744989875 /nfs/dbraw/zinc/98/98/75/744989875.db2.gz MRBLFWHZAHQZOJ-SKDRFNHKSA-N 0 2 350.768 2.935 20 10 FFCDLN Cc1nccc(-c2cccc(NS(=O)(=O)c3cccc4nonc43)c2)n1 ZINC000765036958 984937174 /nfs/dbraw/zinc/93/71/74/984937174.db2.gz ILYVEGXTMVXWHL-UHFFFAOYSA-N 0 2 367.390 2.789 20 10 FFCDLN O=C(Nc1ccc(F)c(Br)c1O)c1cc(O)c(O)c(O)c1 ZINC001148586404 1001175904 /nfs/dbraw/zinc/17/59/04/1001175904.db2.gz NQSBWPAKMQGNEN-UHFFFAOYSA-N 0 2 358.119 2.663 20 10 FFCDLN O=C(NCC(F)(F)F)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001187089076 1003563624 /nfs/dbraw/zinc/56/36/24/1003563624.db2.gz LPUHMAOVAOKKPQ-UHFFFAOYSA-N 0 2 364.279 2.851 20 10 FFCDLN O=S(=O)(Nc1cccc(O)c1O)c1cc(F)cc(Br)c1 ZINC001193793567 1004572621 /nfs/dbraw/zinc/57/26/21/1004572621.db2.gz VLQIDYJAEYONEV-UHFFFAOYSA-N 0 2 362.176 2.800 20 10 FFCDLN CC1(C)CC(=O)c2cc(NS(=O)(=O)c3cccc4nonc43)ccc2O1 ZINC000795366546 1025725591 /nfs/dbraw/zinc/72/55/91/1025725591.db2.gz JAFQQFZUWLYTIU-UHFFFAOYSA-N 0 2 373.390 2.767 20 10 FFCDLN CC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC001141374492 1026070840 /nfs/dbraw/zinc/07/08/40/1026070840.db2.gz JXNVCUSHSZAWJR-SECBINFHSA-N 0 2 361.667 2.861 20 10 FFCDLN COC[C@H](C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227029948 1034914476 /nfs/dbraw/zinc/91/44/76/1034914476.db2.gz WJJWQQIARIJMFJ-JTQLQIEISA-N 0 2 358.346 2.991 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@@H]3CCCOC3=O)c12 ZINC001227506134 1035588877 /nfs/dbraw/zinc/58/88/77/1035588877.db2.gz REFSALXPSXUXMB-CQSZACIVSA-N 0 2 368.341 2.956 20 10 FFCDLN COC[C@H](C)Oc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228365206 1036070428 /nfs/dbraw/zinc/07/04/28/1036070428.db2.gz IKYYHLDWELEYOC-JTQLQIEISA-N 0 2 358.346 2.991 20 10 FFCDLN CCCCOC1CN(Cc2cc(C(=O)OC)cc(Br)c2O)C1 ZINC001233307667 1036511644 /nfs/dbraw/zinc/51/16/44/1036511644.db2.gz MODSFDLTTLGDCP-UHFFFAOYSA-N 0 2 372.259 2.942 20 10 FFCDLN CCCCN1C[C@]2(CCN(Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023222 1038333723 /nfs/dbraw/zinc/33/37/23/1038333723.db2.gz OXFAZHLZWOMGBB-GOSISDBHSA-N 0 2 370.852 2.788 20 10 FFCDLN Cc1ncsc1CN1CCC12CN(Cc1c(F)ccc(F)c1O)C2 ZINC001278687291 1039783175 /nfs/dbraw/zinc/78/31/75/1039783175.db2.gz MWCBVLVVZGTKIH-UHFFFAOYSA-N 0 2 351.422 2.896 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccncc2)cs1)c1ccc2c(c1)OCO2 ZINC001259843391 1040239545 /nfs/dbraw/zinc/23/95/45/1040239545.db2.gz QEXSLOOYOCPUMO-UHFFFAOYSA-N 0 2 361.404 2.735 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)c(C)cc1OC ZINC001260771296 1040784681 /nfs/dbraw/zinc/78/46/81/1040784681.db2.gz ISKCFQCANKLXBX-UHFFFAOYSA-N 0 2 365.407 2.605 20 10 FFCDLN C[C@@H](O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261071228 1040975247 /nfs/dbraw/zinc/97/52/47/1040975247.db2.gz SJESPQBMEVOHPB-MRVPVSSYSA-N 0 2 353.787 2.730 20 10 FFCDLN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)c(O)c(F)c1 ZINC000186653900 509829848 /nfs/dbraw/zinc/82/98/48/509829848.db2.gz DCEDSNPFRVVLTI-UHFFFAOYSA-N 0 2 366.339 2.576 20 10 FFCDLN Cc1nn(C)c2cc(NS(=O)(=O)c3cccc4nsnc43)ccc12 ZINC000566830340 518221162 /nfs/dbraw/zinc/22/11/62/518221162.db2.gz IJWNWNDDBLEAPF-UHFFFAOYSA-N 0 2 359.436 2.687 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cnc2n1CCCC2 ZINC000903584626 736118903 /nfs/dbraw/zinc/11/89/03/736118903.db2.gz KNVVNFLOGPBPMN-UHFFFAOYSA-N 0 2 350.425 2.737 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1cnc2n1CCC2 ZINC000783594868 738817846 /nfs/dbraw/zinc/81/78/46/738817846.db2.gz IIOZBPABRYUWNU-UHFFFAOYSA-N 0 2 364.427 2.893 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccs2)cs1)c1cnc2n1CCC2 ZINC000783595033 738818059 /nfs/dbraw/zinc/81/80/59/738818059.db2.gz MBZGEQNQKXHEIN-UHFFFAOYSA-N 0 2 352.466 2.815 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sccc2C)cc1C ZINC000741649159 735153985 /nfs/dbraw/zinc/15/39/85/735153985.db2.gz OMUXLWWYZWUKQE-UHFFFAOYSA-N 0 2 374.509 2.927 20 10 FFCDLN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cccc2nonc21 ZINC000759104896 736547239 /nfs/dbraw/zinc/54/72/39/736547239.db2.gz YAQRUXFNALWZCR-UHFFFAOYSA-N 0 2 356.363 2.987 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000769847049 737573074 /nfs/dbraw/zinc/57/30/74/737573074.db2.gz IQFQVJNODUBTSD-UHFFFAOYSA-N 0 2 352.416 2.966 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cc2n(n1)CCC2 ZINC001151938835 1032066927 /nfs/dbraw/zinc/06/69/27/1032066927.db2.gz BRDOWXSPMUAEBW-UHFFFAOYSA-N 0 2 373.368 2.563 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275956999 1013233035 /nfs/dbraw/zinc/23/30/35/1013233035.db2.gz OIQPYVQHRUYLES-HNNXBMFYSA-N 0 2 364.314 2.800 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@@]12CCC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275956999 1013233045 /nfs/dbraw/zinc/23/30/45/1013233045.db2.gz OIQPYVQHRUYLES-HNNXBMFYSA-N 0 2 364.314 2.800 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1c(F)ccc(F)c1O ZINC001275956999 1013233052 /nfs/dbraw/zinc/23/30/52/1013233052.db2.gz OIQPYVQHRUYLES-HNNXBMFYSA-N 0 2 364.314 2.800 20 10 FFCDLN O=C1NCCCN1c1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000808428490 994126985 /nfs/dbraw/zinc/12/69/85/994126985.db2.gz ZITCUIKBRWOKJK-UHFFFAOYSA-N 0 2 360.345 2.971 20 10 FFCDLN CC[N@H+](CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@@H](C)C(=O)[O-] ZINC000852730231 1006160534 /nfs/dbraw/zinc/16/05/34/1006160534.db2.gz PMCHSKNYFXTSRX-AWEZNQCLSA-N 0 2 372.421 2.801 20 10 FFCDLN CC[N@@H+](CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@@H](C)C(=O)[O-] ZINC000852730231 1006160540 /nfs/dbraw/zinc/16/05/40/1006160540.db2.gz PMCHSKNYFXTSRX-AWEZNQCLSA-N 0 2 372.421 2.801 20 10 FFCDLN O=C1c2ccccc2C(=O)c2cc(NS(=O)(=O)c3ccoc3)ccc21 ZINC001188569596 1006612827 /nfs/dbraw/zinc/61/28/27/1006612827.db2.gz RZAKHNLWGUMMAV-UHFFFAOYSA-N 0 2 353.355 2.856 20 10 FFCDLN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392312 1023703876 /nfs/dbraw/zinc/70/38/76/1023703876.db2.gz NJQZXICEZJTHNK-STQMWFEESA-N 0 2 358.442 2.909 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392312 1023703880 /nfs/dbraw/zinc/70/38/80/1023703880.db2.gz NJQZXICEZJTHNK-STQMWFEESA-N 0 2 358.442 2.909 20 10 FFCDLN COCCOC1CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141377424 1026077903 /nfs/dbraw/zinc/07/79/03/1026077903.db2.gz NSEQWUUVJFHSAV-UHFFFAOYSA-N 0 2 350.640 2.655 20 10 FFCDLN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840335251 1027051338 /nfs/dbraw/zinc/05/13/38/1027051338.db2.gz NZLQPDSZPOBZKB-RTBURBONSA-N 0 2 369.421 2.960 20 10 FFCDLN COC1CC(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)C1 ZINC001142566405 1030605669 /nfs/dbraw/zinc/60/56/69/1030605669.db2.gz MGPICNTUNRCMJH-UHFFFAOYSA-N 0 2 351.358 2.531 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)C1(F)CCOCC1 ZINC001142611193 1030647237 /nfs/dbraw/zinc/64/72/37/1030647237.db2.gz NFFODMKEVBROTM-UHFFFAOYSA-N 0 2 369.348 2.625 20 10 FFCDLN CCOC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)Cc2nnn(C)c21 ZINC001203579248 1030770804 /nfs/dbraw/zinc/77/08/04/1030770804.db2.gz PFJCREDWJGMGHB-LLVKDONJSA-N 0 2 371.268 2.963 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125497 1033803511 /nfs/dbraw/zinc/80/35/11/1033803511.db2.gz QPUCDPQAXVQIAG-CMKODMSKSA-N 0 2 358.413 2.875 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125497 1033803525 /nfs/dbraw/zinc/80/35/25/1033803525.db2.gz QPUCDPQAXVQIAG-CMKODMSKSA-N 0 2 358.413 2.875 20 10 FFCDLN CC(C)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1cc(O)c(O)c(O)c1 ZINC001227673791 1035667360 /nfs/dbraw/zinc/66/73/60/1035667360.db2.gz PTHPGYIPWITZNV-UHFFFAOYSA-N 0 2 360.318 2.775 20 10 FFCDLN O=c1c2ccc(O)cc2oc(-c2ccc(O)c(O)c2)c1OC[C@H]1CCO1 ZINC001228365435 1036072559 /nfs/dbraw/zinc/07/25/59/1036072559.db2.gz LOFPZHIKUYHIDX-GFCCVEGCSA-N 0 2 356.330 2.745 20 10 FFCDLN CC(C)Oc1c(=O)c2c(O)cc(O)c(O)c2oc1-c1ccc(O)c(O)c1 ZINC001234794895 1037182803 /nfs/dbraw/zinc/18/28/03/1037182803.db2.gz RLGKAFBVKSLULT-UHFFFAOYSA-N 0 2 360.318 2.775 20 10 FFCDLN OC[C@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001237122417 1038449054 /nfs/dbraw/zinc/44/90/54/1038449054.db2.gz UXOWTCYSJYWQSW-OAHLLOKOSA-N 0 2 364.848 2.863 20 10 FFCDLN COCc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1F ZINC001260388680 1040572008 /nfs/dbraw/zinc/57/20/08/1040572008.db2.gz TZFMHHGGGMMWPZ-UHFFFAOYSA-N 0 2 353.400 2.778 20 10 FFCDLN O=S(=O)(Nc1ccc(O)cc1C(F)(F)F)c1cccc2nonc21 ZINC001260441327 1040592168 /nfs/dbraw/zinc/59/21/68/1040592168.db2.gz CGMZMWZNFHKULG-UHFFFAOYSA-N 0 2 359.285 2.748 20 10 FFCDLN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000753983150 1052440230 /nfs/dbraw/zinc/44/02/30/1052440230.db2.gz QRIAJJCYSZMGIB-UHFFFAOYSA-N 0 2 373.434 2.784 20 10 FFCDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000267573395 509547088 /nfs/dbraw/zinc/54/70/88/509547088.db2.gz OKYHKQVQAOLRPT-HNNXBMFYSA-N 0 2 372.377 2.827 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCc2cn[nH]c21 ZINC000277713765 510970400 /nfs/dbraw/zinc/97/04/00/510970400.db2.gz JGOSARQBGJTBJF-GFCCVEGCSA-N 0 2 365.231 2.755 20 10 FFCDLN Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000297524006 510978127 /nfs/dbraw/zinc/97/81/27/510978127.db2.gz DDWQTMLPKCTQHA-IBGZPJMESA-N 0 2 368.477 2.880 20 10 FFCDLN CCNC(=O)COc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273516743 511529328 /nfs/dbraw/zinc/52/93/28/511529328.db2.gz SQENXWYUCHAUEI-LBPRGKRZSA-N 0 2 359.382 2.988 20 10 FFCDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000281240684 511771845 /nfs/dbraw/zinc/77/18/45/511771845.db2.gz NONHYPBGPFKMGU-AWEZNQCLSA-N 0 2 372.377 2.827 20 10 FFCDLN O=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1cccc2nsnc21 ZINC000522745327 518158239 /nfs/dbraw/zinc/15/82/39/518158239.db2.gz QXFVIGRLRNZNLL-UHFFFAOYSA-N 0 2 369.431 2.949 20 10 FFCDLN O=S(=O)(Nc1cccc(-c2cn[nH]c2)c1)c1cccc2nsnc21 ZINC000090166610 728449555 /nfs/dbraw/zinc/44/95/55/728449555.db2.gz IHKDUPINABICGI-UHFFFAOYSA-N 0 2 357.420 2.882 20 10 FFCDLN CC(C)O[C@]1(CS(=O)(=O)Nc2cc(Cl)c(O)cc2F)CCOC1 ZINC000872370654 731757832 /nfs/dbraw/zinc/75/78/32/731757832.db2.gz BSIATBMHFFMZSA-CQSZACIVSA-N 0 2 367.826 2.511 20 10 FFCDLN CCC(=O)N1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781903093 738669565 /nfs/dbraw/zinc/66/95/65/738669565.db2.gz XPSVPKLJBXXUOU-UHFFFAOYSA-N 0 2 355.276 2.907 20 10 FFCDLN CCC(=O)N1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781903093 738669569 /nfs/dbraw/zinc/66/95/69/738669569.db2.gz XPSVPKLJBXXUOU-UHFFFAOYSA-N 0 2 355.276 2.907 20 10 FFCDLN CCC(=O)N1CCCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781903093 738669571 /nfs/dbraw/zinc/66/95/71/738669571.db2.gz XPSVPKLJBXXUOU-UHFFFAOYSA-N 0 2 355.276 2.907 20 10 FFCDLN CN(Cc1nnc2n1CCC2)Cc1cc(Cl)cc(Br)c1O ZINC000893916810 734771622 /nfs/dbraw/zinc/77/16/22/734771622.db2.gz NRDZAZBXUXTJKN-UHFFFAOYSA-N 0 2 371.666 2.978 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)cn1 ZINC000743046382 735274360 /nfs/dbraw/zinc/27/43/60/735274360.db2.gz DWBGXJPGGUSHME-UHFFFAOYSA-N 0 2 374.369 2.762 20 10 FFCDLN COCCn1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cn1 ZINC000747750582 735587837 /nfs/dbraw/zinc/58/78/37/735587837.db2.gz CCJGRZINKZFBEE-UHFFFAOYSA-N 0 2 370.481 2.515 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)c1ccc([N+](=O)[O-])cc1O ZINC000765771273 737156932 /nfs/dbraw/zinc/15/69/32/737156932.db2.gz YQNFTDSXZOACAK-UHFFFAOYSA-N 0 2 367.155 2.699 20 10 FFCDLN CCCCN1C[C@@]2(F)CN(Cc3c(F)ccc(F)c3O)C[C@@]2(F)C1=O ZINC001275957286 1013229215 /nfs/dbraw/zinc/22/92/15/1013229215.db2.gz QGTGKSBSUGGVDQ-DLBZAZTESA-N 0 2 360.351 2.545 20 10 FFCDLN CN(C)c1[nH+]ccc2c1CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001598358728 991478991 /nfs/dbraw/zinc/47/89/91/991478991.db2.gz KXHRNMXDWLDNJC-GQCTYLIASA-N 0 2 368.393 2.716 20 10 FFCDLN CC(C)C[C@@](C)(O)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001183970558 1002457094 /nfs/dbraw/zinc/45/70/94/1002457094.db2.gz UTYNANNTYAKNTO-OAQYLSRUSA-N 0 2 367.401 2.903 20 10 FFCDLN CC(C)C[C@](C)(O)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001183970557 1002457234 /nfs/dbraw/zinc/45/72/34/1002457234.db2.gz UTYNANNTYAKNTO-NRFANRHFSA-N 0 2 367.401 2.903 20 10 FFCDLN CCOCCS(=O)(=O)Nc1ccccc1C(=O)c1ccc(F)cc1 ZINC001187237562 1005970474 /nfs/dbraw/zinc/97/04/74/1005970474.db2.gz JTWGLXGRNORQKZ-UHFFFAOYSA-N 0 2 351.399 2.835 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1n[nH]cc1Cl ZINC001187842307 1006270585 /nfs/dbraw/zinc/27/05/85/1006270585.db2.gz YTBCUECFQVKYFS-UHFFFAOYSA-N 0 2 367.748 2.796 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875492 1008233057 /nfs/dbraw/zinc/23/30/57/1008233057.db2.gz QHLVJUPNRQAGGL-SGTLLEGYSA-N 0 2 354.406 2.543 20 10 FFCDLN COC(=O)c1ccc(O)c([C@H](C)N[C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875492 1008233064 /nfs/dbraw/zinc/23/30/64/1008233064.db2.gz QHLVJUPNRQAGGL-SGTLLEGYSA-N 0 2 354.406 2.543 20 10 FFCDLN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2cccnc2c1=O ZINC001153856281 1028028252 /nfs/dbraw/zinc/02/82/52/1028028252.db2.gz UAQBYTNDKOOWMW-UHFFFAOYSA-N 0 2 350.422 2.651 20 10 FFCDLN O=C(Cc1ccncc1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001142182083 1030124335 /nfs/dbraw/zinc/12/43/35/1030124335.db2.gz BTCSYNAHMJIKHO-UHFFFAOYSA-N 0 2 358.353 2.744 20 10 FFCDLN O=C(Cc1ccccc1)N1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527007 1030579830 /nfs/dbraw/zinc/57/98/30/1030579830.db2.gz GDKCZVVCEWNDHY-UHFFFAOYSA-N 0 2 360.404 2.947 20 10 FFCDLN O=C(Cc1ccccc1)N1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527007 1030579833 /nfs/dbraw/zinc/57/98/33/1030579833.db2.gz GDKCZVVCEWNDHY-UHFFFAOYSA-N 0 2 360.404 2.947 20 10 FFCDLN CCCNS(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC001203619214 1030789231 /nfs/dbraw/zinc/78/92/31/1030789231.db2.gz VGPZDVOZMRNMNH-UHFFFAOYSA-N 0 2 365.411 2.601 20 10 FFCDLN COC[C@H](C)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001227461602 1035563702 /nfs/dbraw/zinc/56/37/02/1035563702.db2.gz UOVLKEOOMPJSBZ-VIFPVBQESA-N 0 2 374.345 2.696 20 10 FFCDLN CO[C@H](C)COc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228366470 1036072675 /nfs/dbraw/zinc/07/26/75/1036072675.db2.gz XGCNLJGMBMZJON-SNVBAGLBSA-N 0 2 358.346 2.991 20 10 FFCDLN CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2ccc(F)c(F)c2O)CCO1 ZINC001233074849 1036318876 /nfs/dbraw/zinc/31/88/76/1036318876.db2.gz YKOYSSNTPGEHSM-ZDUSSCGKSA-N 0 2 372.412 2.786 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCOC[C@H]2C(C)C)c1 ZINC001233308583 1036514486 /nfs/dbraw/zinc/51/44/86/1036514486.db2.gz WXPRDUJHHFGERZ-AWEZNQCLSA-N 0 2 372.259 2.798 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCOC[C@H]2C(C)C)c1 ZINC001233308583 1036514492 /nfs/dbraw/zinc/51/44/92/1036514492.db2.gz WXPRDUJHHFGERZ-AWEZNQCLSA-N 0 2 372.259 2.798 20 10 FFCDLN CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1c(F)ccc(F)c1O)C2 ZINC001278686640 1039775774 /nfs/dbraw/zinc/77/57/74/1039775774.db2.gz GDEJHQHQHFXHDT-AWEZNQCLSA-N 0 2 360.404 2.980 20 10 FFCDLN COc1ccc(CN(C)Cc2ccno2)c(O)c1I ZINC001248498639 1040301975 /nfs/dbraw/zinc/30/19/75/1040301975.db2.gz ILXSUBXJOQFFFH-UHFFFAOYSA-N 0 2 374.178 2.625 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccncc2)cs1)c1cccc2nonc21 ZINC001260434802 1040590086 /nfs/dbraw/zinc/59/00/86/1040590086.db2.gz CBIZCZCELFISLI-UHFFFAOYSA-N 0 2 359.392 2.542 20 10 FFCDLN Cc1noc(NC(=O)[C@]23C[C@H]2CCN3Cc2c(F)ccc(F)c2O)c1C ZINC001279734086 1043551726 /nfs/dbraw/zinc/55/17/26/1043551726.db2.gz ZOFYXYGNGCMQAH-ZMZPIMSZSA-N 0 2 363.364 2.878 20 10 FFCDLN O=C(Nc1nnco1)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)cc(Cl)c1O ZINC001279972617 1044012862 /nfs/dbraw/zinc/01/28/62/1044012862.db2.gz RFDJRHZQLOAEKJ-BJOHPYRUSA-N 0 2 369.208 2.685 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCCN3CCC[C@@H]3C2)c1[O-] ZINC001318459277 1045304944 /nfs/dbraw/zinc/30/49/44/1045304944.db2.gz NPIKHWDUGGFCRD-QGZVFWFLSA-N 0 2 366.461 2.999 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCN3CCC[C@@H]3C2)c1[O-] ZINC001318459277 1045304952 /nfs/dbraw/zinc/30/49/52/1045304952.db2.gz NPIKHWDUGGFCRD-QGZVFWFLSA-N 0 2 366.461 2.999 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC001318459277 1045304958 /nfs/dbraw/zinc/30/49/58/1045304958.db2.gz NPIKHWDUGGFCRD-QGZVFWFLSA-N 0 2 366.461 2.999 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267671 1080454956 /nfs/dbraw/zinc/45/49/56/1080454956.db2.gz HFTHJXUVJDDMGM-NLCHRSBVSA-N 0 2 367.829 2.843 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267671 1080454959 /nfs/dbraw/zinc/45/49/59/1080454959.db2.gz HFTHJXUVJDDMGM-NLCHRSBVSA-N 0 2 367.829 2.843 20 10 FFCDLN C[C@@H]1[C@@H](C)CN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000293875867 510883587 /nfs/dbraw/zinc/88/35/87/510883587.db2.gz AZCFWAKLSKVAEZ-WDEREUQCSA-N 0 2 366.464 2.735 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000276909850 510949848 /nfs/dbraw/zinc/94/98/48/510949848.db2.gz OTZIVHUZDQLBIS-UHFFFAOYSA-N 0 2 371.386 2.748 20 10 FFCDLN COc1c(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941515 511014507 /nfs/dbraw/zinc/01/45/07/511014507.db2.gz XYBIUPYUCKZRKR-XJKSGUPXSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941515 511014511 /nfs/dbraw/zinc/01/45/11/511014511.db2.gz XYBIUPYUCKZRKR-XJKSGUPXSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941515 511014517 /nfs/dbraw/zinc/01/45/17/511014517.db2.gz XYBIUPYUCKZRKR-XJKSGUPXSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941515 511014522 /nfs/dbraw/zinc/01/45/22/511014522.db2.gz XYBIUPYUCKZRKR-XJKSGUPXSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(F)cc(F)cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000532364796 516935424 /nfs/dbraw/zinc/93/54/24/516935424.db2.gz MAZXEXHLBWYALR-UHFFFAOYSA-N 0 2 357.363 2.779 20 10 FFCDLN Cc1ccc2[nH+]cc(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)n2c1 ZINC000533254940 517366989 /nfs/dbraw/zinc/36/69/89/517366989.db2.gz IZETYIFSWORVPH-MDWZMJQESA-N 0 2 372.384 2.995 20 10 FFCDLN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510880 608590111 /nfs/dbraw/zinc/59/01/11/608590111.db2.gz PGAFFEJGBJZBFR-MRXNPFEDSA-N 0 2 371.828 2.799 20 10 FFCDLN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510880 608590112 /nfs/dbraw/zinc/59/01/12/608590112.db2.gz PGAFFEJGBJZBFR-MRXNPFEDSA-N 0 2 371.828 2.799 20 10 FFCDLN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cc(F)c(F)cc1F ZINC000105591211 728507018 /nfs/dbraw/zinc/50/70/18/728507018.db2.gz AXRMXRWIJPSKQP-UHFFFAOYSA-N 0 2 372.368 2.741 20 10 FFCDLN Cc1cccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1F ZINC000781559774 738636855 /nfs/dbraw/zinc/63/68/55/738636855.db2.gz RWGJRHUOXJDSLS-UHFFFAOYSA-N 0 2 350.415 2.772 20 10 FFCDLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cccc2nonc21 ZINC000783872460 738844853 /nfs/dbraw/zinc/84/48/53/738844853.db2.gz ZLFDTEQLEZADGY-UHFFFAOYSA-N 0 2 355.379 2.518 20 10 FFCDLN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000762000781 736781249 /nfs/dbraw/zinc/78/12/49/736781249.db2.gz OXUODBCBVGOXHG-UHFFFAOYSA-N 0 2 358.397 2.950 20 10 FFCDLN COc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1C ZINC000775286302 738078760 /nfs/dbraw/zinc/07/87/60/738078760.db2.gz NBTSODNWDWGKHL-UHFFFAOYSA-N 0 2 352.368 2.727 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000792702902 739695987 /nfs/dbraw/zinc/69/59/87/739695987.db2.gz HYQFCZSITLTXDB-UHFFFAOYSA-N 0 2 353.450 2.920 20 10 FFCDLN C[C@H](O)c1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F ZINC000795380795 740013540 /nfs/dbraw/zinc/01/35/40/740013540.db2.gz KZUILTSZWYRFNU-QMMMGPOBSA-N 0 2 353.400 2.685 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cnc4ccccc4c3)n2)cn1 ZINC000800925748 740566603 /nfs/dbraw/zinc/56/66/03/740566603.db2.gz LQWWBSOCXCGPHA-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN COc1ccccc1-c1csc(NS(=O)(=O)c2cn(C)nc2C)n1 ZINC000808530467 741232962 /nfs/dbraw/zinc/23/29/62/741232962.db2.gz WPHHMUNKUWTRSI-UHFFFAOYSA-N 0 2 364.452 2.661 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2ncn(-c3ccccc3)n2)c1[O-] ZINC000815162269 741907916 /nfs/dbraw/zinc/90/79/16/741907916.db2.gz HSAAKHDTFWGYMM-UHFFFAOYSA-N 0 2 359.773 2.824 20 10 FFCDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000014256208 845027001 /nfs/dbraw/zinc/02/70/01/845027001.db2.gz MTJBQYXIWYFNQC-UHFFFAOYSA-N 0 2 350.381 2.709 20 10 FFCDLN O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000007900769 956884162 /nfs/dbraw/zinc/88/41/62/956884162.db2.gz FNFPMKWFGPIYEV-GXDHUFHOSA-N 0 2 373.459 2.938 20 10 FFCDLN Cc1ccnc(-c2cccc(NS(=O)(=O)c3cccc4nonc43)c2)n1 ZINC000765082518 984960943 /nfs/dbraw/zinc/96/09/43/984960943.db2.gz XGYMPAFHXBRMEK-UHFFFAOYSA-N 0 2 367.390 2.789 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cscn1 ZINC001147367756 1000880776 /nfs/dbraw/zinc/88/07/76/1000880776.db2.gz JGDIASGTZLTKHL-UHFFFAOYSA-N 0 2 350.355 2.876 20 10 FFCDLN COc1ccc(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000788301219 1001782317 /nfs/dbraw/zinc/78/23/17/1001782317.db2.gz OCMUDIBKLOOZNX-UHFFFAOYSA-N 0 2 371.393 2.708 20 10 FFCDLN CN(C)c1ccc(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1 ZINC000748009549 1006708005 /nfs/dbraw/zinc/70/80/05/1006708005.db2.gz SVIDGOCOUHEOIF-UHFFFAOYSA-N 0 2 354.385 2.713 20 10 FFCDLN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000819590827 1008186535 /nfs/dbraw/zinc/18/65/35/1008186535.db2.gz ZWKQPRHAKSOMBD-ZDUSSCGKSA-N 0 2 371.393 2.565 20 10 FFCDLN O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(OC[C@H]3C[C@@H](O)C3)c12 ZINC001218434329 1033155033 /nfs/dbraw/zinc/15/50/33/1033155033.db2.gz WJVMPDIEZLAQJT-GSJFWJNXSA-N 0 2 370.357 2.727 20 10 FFCDLN OC[C@H]1C[C@H](F)CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367668 1026043183 /nfs/dbraw/zinc/04/31/83/1026043183.db2.gz LABZEIMCVXJQFL-KWQFWETISA-N 0 2 352.631 2.960 20 10 FFCDLN OC[C@@H]1C[C@H](F)CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367667 1026043888 /nfs/dbraw/zinc/04/38/88/1026043888.db2.gz LABZEIMCVXJQFL-KCJUWKMLSA-N 0 2 352.631 2.960 20 10 FFCDLN COC[C@H]1c2nnn(C)c2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001203575050 1030769784 /nfs/dbraw/zinc/76/97/84/1030769784.db2.gz CIKOOEYDWSTGQV-ZDUSSCGKSA-N 0 2 357.241 2.573 20 10 FFCDLN COC(=O)c1cn2c(n1)CN(Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC001203581893 1030771659 /nfs/dbraw/zinc/77/16/59/1030771659.db2.gz CVKATERRAOTIOM-UHFFFAOYSA-N 0 2 356.209 2.698 20 10 FFCDLN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ncc(O)cn2)CC1 ZINC001203586901 1030773779 /nfs/dbraw/zinc/77/37/79/1030773779.db2.gz VYMKYWIUOAGUMH-UHFFFAOYSA-N 0 2 355.225 2.517 20 10 FFCDLN COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1c(F)ccc(F)c1O ZINC001139688937 1035198749 /nfs/dbraw/zinc/19/87/49/1035198749.db2.gz DFWCAGDULMMNJT-SJLPKXTDSA-N 0 2 363.360 2.786 20 10 FFCDLN O=c1c2ccc(O)cc2oc(-c2ccc(O)c(O)c2)c1OC[C@@H]1CCO1 ZINC001228365436 1036073199 /nfs/dbraw/zinc/07/31/99/1036073199.db2.gz LOFPZHIKUYHIDX-LBPRGKRZSA-N 0 2 356.330 2.745 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN(C)CC(F)(F)F)c1 ZINC001233305492 1036509590 /nfs/dbraw/zinc/50/95/90/1036509590.db2.gz IIVRTOGRQCZVMY-UHFFFAOYSA-N 0 2 356.138 2.935 20 10 FFCDLN O=S(=O)(Nc1ccc(CO)c(Cl)c1)c1cccc2nsnc21 ZINC001260388618 1040570981 /nfs/dbraw/zinc/57/09/81/1040570981.db2.gz QQAVOVBYDUALJZ-UHFFFAOYSA-N 0 2 355.828 2.638 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1SC ZINC001260440471 1040593073 /nfs/dbraw/zinc/59/30/73/1040593073.db2.gz RCZKQKMNMPJFPE-UHFFFAOYSA-N 0 2 351.409 2.754 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1OC ZINC001261072854 1040977291 /nfs/dbraw/zinc/97/72/91/1040977291.db2.gz JCBJLNVHQFCNON-UHFFFAOYSA-N 0 2 369.786 2.694 20 10 FFCDLN Cc1ccc(O)c(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC001309699649 1043487314 /nfs/dbraw/zinc/48/73/14/1043487314.db2.gz VBIYPVGQKHYMRP-UHFFFAOYSA-N 0 2 367.295 2.875 20 10 FFCDLN Cc1noc(NC(=O)[C@@]23C[C@@H]2CCN3Cc2c(F)ccc(F)c2O)c1C ZINC001279734081 1043551560 /nfs/dbraw/zinc/55/15/60/1043551560.db2.gz ZOFYXYGNGCMQAH-BBATYDOGSA-N 0 2 363.364 2.878 20 10 FFCDLN O=C(NCC(F)F)c1cc2c([nH]1)CN(Cc1c(F)ccc(F)c1O)CC2 ZINC001279737510 1043558956 /nfs/dbraw/zinc/55/89/56/1043558956.db2.gz VEZBRNNQNOVQDN-UHFFFAOYSA-N 0 2 371.334 2.552 20 10 FFCDLN O=C(NCc1cc(O)ccc1O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001455357846 1059770654 /nfs/dbraw/zinc/77/06/54/1059770654.db2.gz VZVLQMCRRRCSHD-UHFFFAOYSA-N 0 2 359.769 2.573 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417496 1061313334 /nfs/dbraw/zinc/31/33/34/1061313334.db2.gz KMZFRKTVFZNPHX-CQSZACIVSA-N 0 2 367.218 2.918 20 10 FFCDLN CCNC(=O)COc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273516738 511528869 /nfs/dbraw/zinc/52/88/69/511528869.db2.gz SQENXWYUCHAUEI-GFCCVEGCSA-N 0 2 359.382 2.988 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000372920520 513102775 /nfs/dbraw/zinc/10/27/75/513102775.db2.gz HCEBSBSLQVBWRY-AWEZNQCLSA-N 0 2 359.773 2.951 20 10 FFCDLN O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1c[nH+]c2ccccn12)CC3 ZINC000607059173 521249844 /nfs/dbraw/zinc/24/98/44/521249844.db2.gz JRYOJWVOZVXFOX-XFXZXTDPSA-N 0 2 358.357 2.687 20 10 FFCDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000125829330 728688366 /nfs/dbraw/zinc/68/83/66/728688366.db2.gz MAPILQRYOFBACN-UHFFFAOYSA-N 0 2 369.859 2.701 20 10 FFCDLN Cn1nccc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000727248967 734474246 /nfs/dbraw/zinc/47/42/46/734474246.db2.gz NWSSVOVFSLDWQO-UHFFFAOYSA-N 0 2 354.844 2.998 20 10 FFCDLN CC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)[C@@H](C)C1 ZINC000894035195 734790337 /nfs/dbraw/zinc/79/03/37/734790337.db2.gz WGXIITMUYFWULT-VIFPVBQESA-N 0 2 361.667 2.861 20 10 FFCDLN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000753519736 736074209 /nfs/dbraw/zinc/07/42/09/736074209.db2.gz ATEFUKQPGDMXQF-UHFFFAOYSA-N 0 2 352.368 2.808 20 10 FFCDLN O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1cccc2nonc21 ZINC000765036102 737074572 /nfs/dbraw/zinc/07/45/72/737074572.db2.gz JYNFUNYITHGQJM-UHFFFAOYSA-N 0 2 359.285 2.922 20 10 FFCDLN CN(C)c1c(Cl)cccc1NS(=O)(=O)c1cccc2nonc21 ZINC000765052595 737076527 /nfs/dbraw/zinc/07/65/27/737076527.db2.gz HBTVYLXUXDSVIK-UHFFFAOYSA-N 0 2 352.803 2.743 20 10 FFCDLN CC(C)n1cc2cc(NS(=O)(=O)c3cccc4nonc43)ccc2n1 ZINC000765090079 737081520 /nfs/dbraw/zinc/08/15/20/737081520.db2.gz OIZSALYHWUGTQJ-UHFFFAOYSA-N 0 2 357.395 2.954 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000775997712 738150772 /nfs/dbraw/zinc/15/07/72/738150772.db2.gz XYNLAKYBDWGXRK-UHFFFAOYSA-N 0 2 350.216 2.517 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000775997712 738150773 /nfs/dbraw/zinc/15/07/73/738150773.db2.gz XYNLAKYBDWGXRK-UHFFFAOYSA-N 0 2 350.216 2.517 20 10 FFCDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776750707 738229418 /nfs/dbraw/zinc/22/94/18/738229418.db2.gz JQUPFIAMNFFENX-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(OC)c1 ZINC000777648741 738310006 /nfs/dbraw/zinc/31/00/06/738310006.db2.gz XDORAHAGNUUAHG-UHFFFAOYSA-N 0 2 373.814 2.872 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(OC)ccc1OC ZINC000790411274 739449758 /nfs/dbraw/zinc/44/97/58/739449758.db2.gz IQKAORJJECDVOJ-UHFFFAOYSA-N 0 2 353.396 2.609 20 10 FFCDLN Cc1cc(C(=O)N2CCOCC2)ccc1NCc1cc([N+](=O)[O-])ccc1O ZINC000789890763 1002227161 /nfs/dbraw/zinc/22/71/61/1002227161.db2.gz QUNYHTYIXOJRTG-UHFFFAOYSA-N 0 2 371.393 2.693 20 10 FFCDLN O=S(=O)(Nc1ccc(O)c(F)c1F)c1c(Cl)nc2sccn21 ZINC001187127374 1003576493 /nfs/dbraw/zinc/57/64/93/1003576493.db2.gz SGFZDSSVVUFLTG-UHFFFAOYSA-N 0 2 365.770 2.834 20 10 FFCDLN COc1cc(Br)ccc1S(=O)(=O)Nc1cccc(O)c1O ZINC001196608443 1003855085 /nfs/dbraw/zinc/85/50/85/1003855085.db2.gz ZABHBQUNNKFSKN-UHFFFAOYSA-N 0 2 374.212 2.670 20 10 FFCDLN CC(C)CN1C(=O)COCC12CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001275237170 1012126641 /nfs/dbraw/zinc/12/66/41/1012126641.db2.gz VICXXAHFJGQIQY-UHFFFAOYSA-N 0 2 373.280 2.768 20 10 FFCDLN O=C([O-])C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(F)F ZINC001119611578 1022892703 /nfs/dbraw/zinc/89/27/03/1022892703.db2.gz IUSKFEQVGMNKTR-SSDOTTSWSA-N 0 2 356.138 2.739 20 10 FFCDLN COc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1-n1nnnc1C ZINC000757598301 1023834309 /nfs/dbraw/zinc/83/43/09/1023834309.db2.gz VHAKATIGXWTIKK-JTQLQIEISA-N 0 2 370.369 2.766 20 10 FFCDLN Cc1cc(C([O-])=CS(=O)(=O)Cc2c[nH+]cn2C)c(C)n1-c1ccccc1 ZINC000758460288 1024125593 /nfs/dbraw/zinc/12/55/93/1024125593.db2.gz IAKLXWNPGGCCJN-UHFFFAOYSA-N 0 2 371.462 2.625 20 10 FFCDLN O=C1CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]2CCCN12 ZINC001141373265 1026067335 /nfs/dbraw/zinc/06/73/35/1026067335.db2.gz VIWJAAURMKFSFB-NSHDSACASA-N 0 2 359.651 2.615 20 10 FFCDLN O=C(Cc1ccccn1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001142164618 1030108223 /nfs/dbraw/zinc/10/82/23/1030108223.db2.gz KDZJTLVZYDOGSR-UHFFFAOYSA-N 0 2 358.353 2.744 20 10 FFCDLN CCCCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097627 1034517215 /nfs/dbraw/zinc/51/72/15/1034517215.db2.gz JFEMRWFNSZTGQI-LJQANCHMSA-N 0 2 368.424 2.521 20 10 FFCDLN CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097627 1034517221 /nfs/dbraw/zinc/51/72/21/1034517221.db2.gz JFEMRWFNSZTGQI-LJQANCHMSA-N 0 2 368.424 2.521 20 10 FFCDLN CCCCN1C[C@]2(CC1=O)COCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001277097627 1034517225 /nfs/dbraw/zinc/51/72/25/1034517225.db2.gz JFEMRWFNSZTGQI-LJQANCHMSA-N 0 2 368.424 2.521 20 10 FFCDLN CCCCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001277097627 1034517234 /nfs/dbraw/zinc/51/72/34/1034517234.db2.gz JFEMRWFNSZTGQI-LJQANCHMSA-N 0 2 368.424 2.521 20 10 FFCDLN CO[C@H](C)COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227031378 1034915018 /nfs/dbraw/zinc/91/50/18/1034915018.db2.gz GRECBPSMOGKXJK-SNVBAGLBSA-N 0 2 358.346 2.991 20 10 FFCDLN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(F)ccc(F)c1O ZINC001139685668 1035197965 /nfs/dbraw/zinc/19/79/65/1035197965.db2.gz SFGFOEWCNBVFPG-LBPRGKRZSA-N 0 2 372.412 2.738 20 10 FFCDLN CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2c(F)ccc(F)c2O)CCO1 ZINC001139685865 1035198101 /nfs/dbraw/zinc/19/81/01/1035198101.db2.gz ZJHMTSQSLHFZFP-GFCCVEGCSA-N 0 2 372.412 2.786 20 10 FFCDLN CC(=O)[C@@H](C)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001227461811 1035563742 /nfs/dbraw/zinc/56/37/42/1035563742.db2.gz XZCZDVFTCBOPBD-SECBINFHSA-N 0 2 372.329 2.639 20 10 FFCDLN CC(=O)[C@H](C)Oc1c(=O)c2c(O)cc(O)c(O)c2oc1-c1ccc(O)cc1 ZINC001230165829 1037127501 /nfs/dbraw/zinc/12/75/01/1037127501.db2.gz KVSSIDGNVZJSPZ-VIFPVBQESA-N 0 2 372.329 2.639 20 10 FFCDLN O=C([O-])c1ccc(O)c(C[N@@H+]2CCc3ncc(Br)cc3C2)c1 ZINC001231564934 1037689881 /nfs/dbraw/zinc/68/98/81/1037689881.db2.gz KRHWCRUDSIUWCA-UHFFFAOYSA-N 0 2 363.211 2.806 20 10 FFCDLN O=C([O-])c1ccc(O)c(C[N@H+]2CCc3ncc(Br)cc3C2)c1 ZINC001231564934 1037689886 /nfs/dbraw/zinc/68/98/86/1037689886.db2.gz KRHWCRUDSIUWCA-UHFFFAOYSA-N 0 2 363.211 2.806 20 10 FFCDLN CC[C@H](C)S(=O)(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001260740810 1040762579 /nfs/dbraw/zinc/76/25/79/1040762579.db2.gz WCFWZWLZAMOWMC-JTQLQIEISA-N 0 2 359.403 2.708 20 10 FFCDLN Nc1nc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2s1 ZINC001237732863 1043330097 /nfs/dbraw/zinc/33/00/97/1043330097.db2.gz SBHGRIGPHRLVCB-UHFFFAOYSA-N 0 2 363.449 2.684 20 10 FFCDLN CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000293843912 510873499 /nfs/dbraw/zinc/87/34/99/510873499.db2.gz HGDGEVOPCLDQAF-SNVBAGLBSA-N 0 2 352.283 2.956 20 10 FFCDLN CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000293843912 510873503 /nfs/dbraw/zinc/87/35/03/510873503.db2.gz HGDGEVOPCLDQAF-SNVBAGLBSA-N 0 2 352.283 2.956 20 10 FFCDLN Cc1c2ccccc2n(C)c1CNC(=O)N=c1ncn(Cc2ccccc2)[nH]1 ZINC000527319229 517635997 /nfs/dbraw/zinc/63/59/97/517635997.db2.gz XSNAGWCYHLWPKN-UHFFFAOYSA-N 0 2 374.448 2.870 20 10 FFCDLN COc1ccc(N2CC[NH+](Cn3nc(C(=O)[O-])c4ccccc43)CC2)cc1 ZINC000832383262 601396495 /nfs/dbraw/zinc/39/64/95/601396495.db2.gz CSIISLGKUDFJSL-UHFFFAOYSA-N 0 2 366.421 2.523 20 10 FFCDLN COC(=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)s1 ZINC000831379419 601953720 /nfs/dbraw/zinc/95/37/20/601953720.db2.gz ORMLBBHSEARWHO-UHFFFAOYSA-N 0 2 369.826 2.981 20 10 FFCDLN COC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)s1 ZINC000831379419 601953722 /nfs/dbraw/zinc/95/37/22/601953722.db2.gz ORMLBBHSEARWHO-UHFFFAOYSA-N 0 2 369.826 2.981 20 10 FFCDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)s1 ZINC000743259753 735286148 /nfs/dbraw/zinc/28/61/48/735286148.db2.gz MXOZLLJNAJUOTR-JTQLQIEISA-N 0 2 354.453 2.760 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccc2nonc21 ZINC000129101037 728710345 /nfs/dbraw/zinc/71/03/45/728710345.db2.gz ALSHYWUSAMLNHB-UHFFFAOYSA-N 0 2 359.392 2.542 20 10 FFCDLN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000181037074 729231815 /nfs/dbraw/zinc/23/18/15/729231815.db2.gz LBJUPYAWWVQBDT-UHFFFAOYSA-N 0 2 351.409 2.998 20 10 FFCDLN COCc1cc(O)ccc1NS(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000872375422 731758409 /nfs/dbraw/zinc/75/84/09/731758409.db2.gz DABGBEWNRJPSMJ-UHFFFAOYSA-N 0 2 351.428 2.651 20 10 FFCDLN Cc1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)ccc1F ZINC000743049189 735274726 /nfs/dbraw/zinc/27/47/26/735274726.db2.gz AVWLTSMZRXXDQP-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC000903253676 736067851 /nfs/dbraw/zinc/06/78/51/736067851.db2.gz NYWSBZKFJDZYCX-UHFFFAOYSA-N 0 2 366.493 2.987 20 10 FFCDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000761996798 736780807 /nfs/dbraw/zinc/78/08/07/736780807.db2.gz YWWSNCXRWJKINP-UHFFFAOYSA-N 0 2 367.423 2.997 20 10 FFCDLN COC(=O)c1csc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775291210 738079797 /nfs/dbraw/zinc/07/97/97/738079797.db2.gz FYBLFIGQMOJYAD-UHFFFAOYSA-N 0 2 355.437 2.966 20 10 FFCDLN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000161503030 967194261 /nfs/dbraw/zinc/19/42/61/967194261.db2.gz OXSSMRXGEPLDMA-UHFFFAOYSA-N 0 2 374.422 2.552 20 10 FFCDLN CN(C)c1ccc(/C=C/C[N@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)cc1 ZINC001598314279 991294746 /nfs/dbraw/zinc/29/47/46/991294746.db2.gz LHRCDJMTPNZPCT-VOTSOKGWSA-N 0 2 362.470 2.884 20 10 FFCDLN CN(C)c1ccc(/C=C/C[N@@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)cc1 ZINC001598314279 991294752 /nfs/dbraw/zinc/29/47/52/991294752.db2.gz LHRCDJMTPNZPCT-VOTSOKGWSA-N 0 2 362.470 2.884 20 10 FFCDLN CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000727242855 995736000 /nfs/dbraw/zinc/73/60/00/995736000.db2.gz LWBKPJWTATXRAK-UHFFFAOYSA-N 0 2 374.441 2.937 20 10 FFCDLN COc1ccc(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c(O)c1 ZINC000794378886 1003620896 /nfs/dbraw/zinc/62/08/96/1003620896.db2.gz GFHRMKXVEKKXFX-UHFFFAOYSA-N 0 2 373.796 2.876 20 10 FFCDLN C[C@]1(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)CCCO1 ZINC001180472459 1009709588 /nfs/dbraw/zinc/70/95/88/1009709588.db2.gz VNWIKULJODDYBX-HXUWFJFHSA-N 0 2 351.358 2.675 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@@H]1CCCC[C@@H]1O ZINC001181089845 1009963879 /nfs/dbraw/zinc/96/38/79/1009963879.db2.gz QDTHRUHPINWWHK-DYVFJYSZSA-N 0 2 365.385 2.657 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCO[C@@H](CCF)C2)c1[O-] ZINC000863317709 1010172366 /nfs/dbraw/zinc/17/23/66/1010172366.db2.gz OTCXNZZABIXSTP-HNNXBMFYSA-N 0 2 359.397 2.889 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCO[C@@H](CCF)C2)c1[O-] ZINC000863317709 1010172375 /nfs/dbraw/zinc/17/23/75/1010172375.db2.gz OTCXNZZABIXSTP-HNNXBMFYSA-N 0 2 359.397 2.889 20 10 FFCDLN C[C@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756866245 1023761753 /nfs/dbraw/zinc/76/17/53/1023761753.db2.gz YDSMNVNNCLBEMH-LBPRGKRZSA-N 0 2 373.413 2.729 20 10 FFCDLN CC[C@H](C)N1C[C@@]2(CCN(Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968049 1033867858 /nfs/dbraw/zinc/86/78/58/1033867858.db2.gz XKHPPFVJJGVXTR-SGTLLEGYSA-N 0 2 370.852 2.787 20 10 FFCDLN CCN1CC(Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227029742 1034914865 /nfs/dbraw/zinc/91/48/65/1034914865.db2.gz ROWOUQLSAOLQOT-UHFFFAOYSA-N 0 2 369.373 2.660 20 10 FFCDLN CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2c(F)ccc(F)c2O)CCO1 ZINC001139685866 1035197951 /nfs/dbraw/zinc/19/79/51/1035197951.db2.gz ZJHMTSQSLHFZFP-LBPRGKRZSA-N 0 2 372.412 2.786 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001233305702 1036511181 /nfs/dbraw/zinc/51/11/81/1036511181.db2.gz QBEZDGWDUCZRLL-AOOOYVTPSA-N 0 2 358.232 2.551 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001233305702 1036511186 /nfs/dbraw/zinc/51/11/86/1036511186.db2.gz QBEZDGWDUCZRLL-AOOOYVTPSA-N 0 2 358.232 2.551 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001233306419 1036511838 /nfs/dbraw/zinc/51/18/38/1036511838.db2.gz PZPLSAQKWRZXAK-GAFUQQFSSA-N 0 2 358.207 2.731 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001233306419 1036511845 /nfs/dbraw/zinc/51/18/45/1036511845.db2.gz PZPLSAQKWRZXAK-GAFUQQFSSA-N 0 2 358.207 2.731 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2C(=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000836687145 1036755174 /nfs/dbraw/zinc/75/51/74/1036755174.db2.gz LQZGNJWZCUFROX-INIZCTEOSA-N 0 2 370.405 2.555 20 10 FFCDLN Cc1cc(C(=O)C[N@H+]2CCC[C@H]2C(=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000836687145 1036755192 /nfs/dbraw/zinc/75/51/92/1036755192.db2.gz LQZGNJWZCUFROX-INIZCTEOSA-N 0 2 370.405 2.555 20 10 FFCDLN CC(=O)[C@@H](C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229699561 1036838733 /nfs/dbraw/zinc/83/87/33/1036838733.db2.gz NLGKGVLERKEESQ-SNVBAGLBSA-N 0 2 356.330 2.933 20 10 FFCDLN CC1=C(Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C(=O)O[C@H]1C ZINC001234746737 1037164530 /nfs/dbraw/zinc/16/45/30/1037164530.db2.gz DMRXFTNOZRUPDD-QMMMGPOBSA-N 0 2 370.313 2.661 20 10 FFCDLN O=C([O-])c1ccc(C[N@@H+]2CCN(c3cccc(Cl)c3)C(=O)C2)c(O)c1 ZINC001231453080 1037595197 /nfs/dbraw/zinc/59/51/97/1037595197.db2.gz BNTXIKKURVJYQA-UHFFFAOYSA-N 0 2 360.797 2.593 20 10 FFCDLN O=C([O-])c1ccc(C[N@H+]2CCN(c3cccc(Cl)c3)C(=O)C2)c(O)c1 ZINC001231453080 1037595205 /nfs/dbraw/zinc/59/52/05/1037595205.db2.gz BNTXIKKURVJYQA-UHFFFAOYSA-N 0 2 360.797 2.593 20 10 FFCDLN O=[N+]([O-])c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(O)c1O ZINC001251026666 1038901906 /nfs/dbraw/zinc/90/19/06/1038901906.db2.gz BABJTQVKGUDHSE-UHFFFAOYSA-N 0 2 355.285 2.874 20 10 FFCDLN O=S(=O)(NCc1ccc2[nH+]ccn2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251447919 1039136849 /nfs/dbraw/zinc/13/68/49/1039136849.db2.gz QXCMNCRHQPXEDV-UHFFFAOYSA-N 0 2 372.233 2.825 20 10 FFCDLN O=C(NCc1ccc(O)cc1O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001299573961 1039916409 /nfs/dbraw/zinc/91/64/09/1039916409.db2.gz MEOYVKIEUMKOFJ-UHFFFAOYSA-N 0 2 359.769 2.573 20 10 FFCDLN O=c1[nH]c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2s1 ZINC001260387793 1040569797 /nfs/dbraw/zinc/56/97/97/1040569797.db2.gz SYKWDPXOWBQXDU-UHFFFAOYSA-N 0 2 364.433 2.807 20 10 FFCDLN O=S(=O)(Nc1cccc(C2OCCO2)c1)c1cccc2nsnc21 ZINC001260387971 1040571502 /nfs/dbraw/zinc/57/15/02/1040571502.db2.gz IYALYYTXZBVYKZ-UHFFFAOYSA-N 0 2 363.420 2.538 20 10 FFCDLN CCOC(=O)c1cccc(NS(=O)(=O)c2cccc3nonc32)c1C ZINC001260441009 1040593220 /nfs/dbraw/zinc/59/32/20/1040593220.db2.gz GSIIODVFZMOTIX-UHFFFAOYSA-N 0 2 361.379 2.509 20 10 FFCDLN O=S(=O)(Nc1ccc2c(c1)[C@H](O)CC2)c1ccc(Cl)c2nonc21 ZINC001261072469 1040977910 /nfs/dbraw/zinc/97/79/10/1040977910.db2.gz TYLMNGSSBFFVNF-GFCCVEGCSA-N 0 2 365.798 2.657 20 10 FFCDLN COCOc1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261073892 1040981437 /nfs/dbraw/zinc/98/14/37/1040981437.db2.gz YGBCSCLQLWLSHV-UHFFFAOYSA-N 0 2 369.786 2.660 20 10 FFCDLN O=S(=O)(Nc1ccc(Cl)c(CO)c1)c1ccc(Cl)c2nonc21 ZINC001261073951 1040981732 /nfs/dbraw/zinc/98/17/32/1040981732.db2.gz ZOYFZHJTVWOVKA-UHFFFAOYSA-N 0 2 374.205 2.823 20 10 FFCDLN Cc1cc(CN2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)no1 ZINC000120586950 509027231 /nfs/dbraw/zinc/02/72/31/509027231.db2.gz ZQTMSNDGUQDYPL-UHFFFAOYSA-N 0 2 366.805 2.568 20 10 FFCDLN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000265869066 510272142 /nfs/dbraw/zinc/27/21/42/510272142.db2.gz YNAMMHBSFHQRPD-UHFFFAOYSA-N 0 2 368.393 2.502 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nsnc32)cc(OC)c1C ZINC000644851453 568356731 /nfs/dbraw/zinc/35/67/31/568356731.db2.gz KMISIPQESRMPDK-UHFFFAOYSA-N 0 2 365.436 2.818 20 10 FFCDLN Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnnn3C)n2)c(C)c1 ZINC000863434235 730781366 /nfs/dbraw/zinc/78/13/66/730781366.db2.gz PBXVKKAYFLSMEV-UHFFFAOYSA-N 0 2 363.468 2.665 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000872366816 731757401 /nfs/dbraw/zinc/75/74/01/731757401.db2.gz JQNPOZVKPHLENJ-UHFFFAOYSA-N 0 2 353.469 2.527 20 10 FFCDLN Cc1sc(NS(=O)(=O)c2ccnn2C)nc1-c1ccc(F)cc1 ZINC000727245375 734473877 /nfs/dbraw/zinc/47/38/77/734473877.db2.gz BCAVNELRVSOBPL-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN COc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000775286369 738078627 /nfs/dbraw/zinc/07/86/27/738078627.db2.gz RAAWDWUVINZFKS-UHFFFAOYSA-N 0 2 358.759 2.763 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)C2=Cc3ccccc3OCC2)ccc1O ZINC000775287517 738079164 /nfs/dbraw/zinc/07/91/64/738079164.db2.gz AYLFSGCQEOLWFX-UHFFFAOYSA-N 0 2 362.363 2.866 20 10 FFCDLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1C ZINC000790068174 739416290 /nfs/dbraw/zinc/41/62/90/739416290.db2.gz FUVXQLXSPDLWCU-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000790411917 739450418 /nfs/dbraw/zinc/45/04/18/739450418.db2.gz VMEQQKRMSJQXOR-UHFFFAOYSA-N 0 2 369.395 2.534 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cccc2c1OCO2 ZINC000800926308 740566540 /nfs/dbraw/zinc/56/65/40/740566540.db2.gz NQULWUUSPYJKNZ-UHFFFAOYSA-N 0 2 350.377 2.933 20 10 FFCDLN COC(=O)c1conc1C(C)(C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000822534376 742749391 /nfs/dbraw/zinc/74/93/91/742749391.db2.gz FBJHHOLNHXHSPQ-UHFFFAOYSA-N 0 2 369.761 2.753 20 10 FFCDLN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000827849191 744989783 /nfs/dbraw/zinc/98/97/83/744989783.db2.gz CSDINMPCGHNIHH-RISCZKNCSA-N 0 2 361.383 2.781 20 10 FFCDLN Cc1cc(Br)c(O)c(C[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)c1 ZINC000848563727 748961257 /nfs/dbraw/zinc/96/12/57/748961257.db2.gz YOYJKHQGASYGJI-LBPRGKRZSA-N 0 2 367.247 2.723 20 10 FFCDLN CSc1c[nH]c2nc[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)c12 ZINC001167426532 963027022 /nfs/dbraw/zinc/02/70/22/963027022.db2.gz IICPTPOHZWUTGO-UHFFFAOYSA-N 0 2 368.510 2.995 20 10 FFCDLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccccc3O)=N2)cc1 ZINC000177077398 968877286 /nfs/dbraw/zinc/87/72/86/968877286.db2.gz XTZPIRVZDKBOMV-UHFFFAOYSA-N 0 2 353.378 2.564 20 10 FFCDLN CC(C)(C)[C@H](O)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001182744426 1002036508 /nfs/dbraw/zinc/03/65/08/1002036508.db2.gz YQWYCLNLORDZNY-GOSISDBHSA-N 0 2 353.374 2.513 20 10 FFCDLN C[C@@]1(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)CCOC1 ZINC001184393972 1002586487 /nfs/dbraw/zinc/58/64/87/1002586487.db2.gz VSYPNYUYDUWPAP-HXUWFJFHSA-N 0 2 351.358 2.533 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@@H]1CCCC[C@H]1O ZINC001181089844 1009964775 /nfs/dbraw/zinc/96/47/75/1009964775.db2.gz QDTHRUHPINWWHK-CXAGYDPISA-N 0 2 365.385 2.657 20 10 FFCDLN Cc1c(NCc2cc([N+](=O)[O-])ccc2O)cccc1N1C(=O)CCNC1=O ZINC000800293753 1020193916 /nfs/dbraw/zinc/19/39/16/1020193916.db2.gz JXWVZONUSIPQTH-UHFFFAOYSA-N 0 2 370.365 2.667 20 10 FFCDLN CCc1ccccc1N1CC(=O)C(C(=O)NCc2cc(OC)ccc2O)=N1 ZINC000752806488 1023208561 /nfs/dbraw/zinc/20/85/61/1023208561.db2.gz QQHRRRJEFKRLKO-UHFFFAOYSA-N 0 2 367.405 2.785 20 10 FFCDLN O=C(NCc1cccc(O)c1O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001153793002 1027998077 /nfs/dbraw/zinc/99/80/77/1027998077.db2.gz XFTMMDJIADRFQD-UHFFFAOYSA-N 0 2 359.769 2.573 20 10 FFCDLN [O-]c1c(F)ccc(F)c1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001139684519 1031971335 /nfs/dbraw/zinc/97/13/35/1031971335.db2.gz XTYVJPWNMPVGFW-UHFFFAOYSA-N 0 2 374.313 2.801 20 10 FFCDLN Oc1c(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)ccc(F)c1F ZINC001233076433 1036323473 /nfs/dbraw/zinc/32/34/73/1036323473.db2.gz NXOPBYLXPGVRJQ-QMTMVMCOSA-N 0 2 362.376 2.876 20 10 FFCDLN COc1ccnc(OC2CCN(Cc3c(O)ccc(F)c3F)CC2)n1 ZINC001233336540 1036544425 /nfs/dbraw/zinc/54/44/25/1036544425.db2.gz PDUZZWBCLWSDNA-UHFFFAOYSA-N 0 2 351.353 2.512 20 10 FFCDLN C[C@H]1COC[C@@H]1Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229697763 1036835942 /nfs/dbraw/zinc/83/59/42/1036835942.db2.gz BGASYSSPBAIFPE-BTDLBPIBSA-N 0 2 370.357 2.991 20 10 FFCDLN O=C1CC(Oc2c(O)c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c32)C1 ZINC001229703580 1036839462 /nfs/dbraw/zinc/83/94/62/1036839462.db2.gz MGMVEUMQMFILDE-UHFFFAOYSA-N 0 2 354.314 2.687 20 10 FFCDLN CCNC(=O)CO[C@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084228 1038439832 /nfs/dbraw/zinc/43/98/32/1038439832.db2.gz IJBPNESKZQPHBZ-NSHDSACASA-N 0 2 361.269 2.816 20 10 FFCDLN CCNC(=O)CO[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084228 1038439834 /nfs/dbraw/zinc/43/98/34/1038439834.db2.gz IJBPNESKZQPHBZ-NSHDSACASA-N 0 2 361.269 2.816 20 10 FFCDLN CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084228 1038439837 /nfs/dbraw/zinc/43/98/37/1038439837.db2.gz IJBPNESKZQPHBZ-NSHDSACASA-N 0 2 361.269 2.816 20 10 FFCDLN O=S(=O)(Nc1ccc(-c2ccncn2)cc1)c1cccc2nsnc21 ZINC001260387950 1040569338 /nfs/dbraw/zinc/56/93/38/1040569338.db2.gz HAZWSWSDZPACPY-UHFFFAOYSA-N 0 2 369.431 2.949 20 10 FFCDLN CN1CCCc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc21 ZINC001260388081 1040571802 /nfs/dbraw/zinc/57/18/02/1040571802.db2.gz QAAHBMJMUPLRIQ-UHFFFAOYSA-N 0 2 360.464 2.875 20 10 FFCDLN C[C@@H](O)c1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261066316 1040972339 /nfs/dbraw/zinc/97/23/39/1040972339.db2.gz RJHXKBVISGROLU-MRVPVSSYSA-N 0 2 353.787 2.730 20 10 FFCDLN Cn1ncc2cc(NS(=O)(=O)c3ccc(Cl)c4nonc43)ccc21 ZINC001261070931 1040976350 /nfs/dbraw/zinc/97/63/50/1040976350.db2.gz CUQBBANNEFWLMO-UHFFFAOYSA-N 0 2 363.786 2.564 20 10 FFCDLN O=S(=O)(Nc1ccc2ncncc2c1)c1ccc(Cl)c2nonc21 ZINC001261073108 1040977243 /nfs/dbraw/zinc/97/72/43/1040977243.db2.gz LZLHXDUTTPKGJD-UHFFFAOYSA-N 0 2 361.770 2.620 20 10 FFCDLN COc1cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)ccc1F ZINC001261071230 1040979283 /nfs/dbraw/zinc/97/92/83/1040979283.db2.gz SUTAQKZADLNLSH-UHFFFAOYSA-N 0 2 357.750 2.825 20 10 FFCDLN C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)[C@H](C(N)=O)C1 ZINC001308705180 1052489264 /nfs/dbraw/zinc/48/92/64/1052489264.db2.gz ITSPNENIDHSVPH-UFBFGSQYSA-N 0 2 361.667 2.894 20 10 FFCDLN CC1(C)CN(Cc2cc(Cl)cc(Br)c2O)C[C@@H](CO)O1 ZINC001308825433 1052504106 /nfs/dbraw/zinc/50/41/06/1052504106.db2.gz KEHQJWLHVDGFJG-NSHDSACASA-N 0 2 364.667 2.780 20 10 FFCDLN CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000765041546 1061492287 /nfs/dbraw/zinc/49/22/87/1061492287.db2.gz YIANLFPQEDMWPK-DHZHZOJOSA-N 0 2 373.390 2.600 20 10 FFCDLN CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1nccn1C ZINC000182885674 509476172 /nfs/dbraw/zinc/47/61/72/509476172.db2.gz NWCFIKFCCSIDFA-GOSISDBHSA-N 0 2 359.493 2.942 20 10 FFCDLN COc1ccc(N2CCN(C(=O)c3cc(F)c(F)c(O)c3F)CC2)cc1 ZINC000184795934 510520361 /nfs/dbraw/zinc/52/03/61/510520361.db2.gz GSSIOCOPDTUVOL-UHFFFAOYSA-N 0 2 366.339 2.781 20 10 FFCDLN C[C@@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000175260369 510558222 /nfs/dbraw/zinc/55/82/22/510558222.db2.gz LYCJRGKIKFBKIE-LLVKDONJSA-N 0 2 366.464 2.879 20 10 FFCDLN COc1c(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941513 511014283 /nfs/dbraw/zinc/01/42/83/511014283.db2.gz XYBIUPYUCKZRKR-CJNGLKHVSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941513 511014289 /nfs/dbraw/zinc/01/42/89/511014289.db2.gz XYBIUPYUCKZRKR-CJNGLKHVSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941513 511014292 /nfs/dbraw/zinc/01/42/92/511014292.db2.gz XYBIUPYUCKZRKR-CJNGLKHVSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941513 511014296 /nfs/dbraw/zinc/01/42/96/511014296.db2.gz XYBIUPYUCKZRKR-CJNGLKHVSA-N 0 2 361.442 2.758 20 10 FFCDLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000127809197 728707320 /nfs/dbraw/zinc/70/73/20/728707320.db2.gz OHGUTOLHWRLDSZ-UHFFFAOYSA-N 0 2 364.404 2.991 20 10 FFCDLN CNC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000193887607 729493294 /nfs/dbraw/zinc/49/32/94/729493294.db2.gz BSBUQSHRQDDVMO-UHFFFAOYSA-N 0 2 363.420 2.564 20 10 FFCDLN CC(C)OCc1cc(NS(=O)(=O)c2ccc(F)nc2F)ccc1O ZINC000882724167 733279834 /nfs/dbraw/zinc/27/98/34/733279834.db2.gz CUDUKTQDUSEXDP-UHFFFAOYSA-N 0 2 358.366 2.791 20 10 FFCDLN Cc1ccc(Cl)c(NC(=S)NNc2nnc(C)c(=O)[nH]2)c1Cl ZINC000728444389 734527559 /nfs/dbraw/zinc/52/75/59/734527559.db2.gz BLGVHCORNHQICC-UHFFFAOYSA-N 0 2 359.242 2.814 20 10 FFCDLN O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000904235665 736236748 /nfs/dbraw/zinc/23/67/48/736236748.db2.gz SQFGMWVMYRYTLL-NEPJUHHUSA-N 0 2 355.232 2.823 20 10 FFCDLN COc1cc(F)c(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1OC ZINC000758774342 736519949 /nfs/dbraw/zinc/51/99/49/736519949.db2.gz PTFWHMVBDUGIMU-UHFFFAOYSA-N 0 2 369.370 2.552 20 10 FFCDLN O=S(=O)(Nc1ccc(Br)c(F)c1)c1cccc2nonc21 ZINC000765097419 737082399 /nfs/dbraw/zinc/08/23/99/737082399.db2.gz GHEAVLVEJPRPPK-UHFFFAOYSA-N 0 2 372.175 2.925 20 10 FFCDLN COc1cc(NS(=O)(=O)c2c(Cl)nc3ccccn32)ccc1O ZINC000797820071 740276051 /nfs/dbraw/zinc/27/60/51/740276051.db2.gz FAGYWELDDGKSOD-UHFFFAOYSA-N 0 2 353.787 2.503 20 10 FFCDLN CCOc1cccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000800035909 740476249 /nfs/dbraw/zinc/47/62/49/740476249.db2.gz KCCSDDOMPFQTHG-UHFFFAOYSA-N 0 2 364.452 2.743 20 10 FFCDLN CCS(=O)(=O)N(C)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000850391175 749358042 /nfs/dbraw/zinc/35/80/42/749358042.db2.gz HIVQWSPDWJHWGF-UHFFFAOYSA-N 0 2 365.411 2.698 20 10 FFCDLN CC(C)(C)c1nc(CN2CCN(Cc3ccc(F)c(F)c3O)CC2)no1 ZINC000876753039 1014379827 /nfs/dbraw/zinc/37/98/27/1014379827.db2.gz HDCAYOFWAVZAGF-UHFFFAOYSA-N 0 2 366.412 2.669 20 10 FFCDLN C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593312010 994793175 /nfs/dbraw/zinc/79/31/75/994793175.db2.gz NAFQWESETJQIBH-JTQLQIEISA-N 0 2 356.357 2.865 20 10 FFCDLN C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593312010 994793182 /nfs/dbraw/zinc/79/31/82/994793182.db2.gz NAFQWESETJQIBH-JTQLQIEISA-N 0 2 356.357 2.865 20 10 FFCDLN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ncccc1C(F)(F)F ZINC001194561694 1004760275 /nfs/dbraw/zinc/76/02/75/1004760275.db2.gz HFTKNLILJVSMMJ-UHFFFAOYSA-N 0 2 354.256 2.885 20 10 FFCDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(N2CCOCC2)cc1 ZINC000133511938 1007152530 /nfs/dbraw/zinc/15/25/30/1007152530.db2.gz ZJKGIGYJTQPEJC-ZDUSSCGKSA-N 0 2 371.393 2.628 20 10 FFCDLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O)cc1O ZINC001191073533 1007883550 /nfs/dbraw/zinc/88/35/50/1007883550.db2.gz USXQKUHATSHUMA-UHFFFAOYSA-N 0 2 374.212 2.670 20 10 FFCDLN COCC(C)(C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001181947979 1010315355 /nfs/dbraw/zinc/31/53/55/1010315355.db2.gz DSBVDLJZAMPJSD-UHFFFAOYSA-N 0 2 353.374 2.779 20 10 FFCDLN COC(=O)c1ccc(O)c([C@H](C)NCc2nncn2-c2ccccc2)c1 ZINC000756403158 1023705099 /nfs/dbraw/zinc/70/50/99/1023705099.db2.gz OPPFRIUNKZZKBG-ZDUSSCGKSA-N 0 2 352.394 2.610 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000756403158 1023705108 /nfs/dbraw/zinc/70/51/08/1023705108.db2.gz OPPFRIUNKZZKBG-ZDUSSCGKSA-N 0 2 352.394 2.610 20 10 FFCDLN COc1cccc(C(=O)N2CCN(Cc3c(F)ccc(F)c3O)CC2)c1 ZINC001139687919 1035197813 /nfs/dbraw/zinc/19/78/13/1035197813.db2.gz UWNXKIZMRRJTSO-UHFFFAOYSA-N 0 2 362.376 2.637 20 10 FFCDLN Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC3CCN(C)CC3)c1C2=O ZINC001227994241 1035859939 /nfs/dbraw/zinc/85/99/39/1035859939.db2.gz KLIWNYMKGYRBBS-UHFFFAOYSA-N 0 2 367.401 2.655 20 10 FFCDLN CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(C(=O)OC)cc(Br)c1[O-])C2 ZINC001233308802 1036514921 /nfs/dbraw/zinc/51/49/21/1036514921.db2.gz GHOSZLAFHXZMJY-LRDDRELGSA-N 0 2 370.243 2.695 20 10 FFCDLN CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(C(=O)OC)cc(Br)c1[O-])C2 ZINC001233308802 1036514928 /nfs/dbraw/zinc/51/49/28/1036514928.db2.gz GHOSZLAFHXZMJY-LRDDRELGSA-N 0 2 370.243 2.695 20 10 FFCDLN O=[N+]([O-])c1ccc(O)c(CNc2cc(-c3ccccc3)nn2CCO)c1 ZINC000727470496 1045566544 /nfs/dbraw/zinc/56/65/44/1045566544.db2.gz XMJRNIDAGOSDSS-UHFFFAOYSA-N 0 2 354.366 2.768 20 10 FFCDLN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN2C(=O)[C@H](C)N(C)C2=O)c1 ZINC001453745225 1059404931 /nfs/dbraw/zinc/40/49/31/1059404931.db2.gz AQJGBIJYHKQELC-LBPRGKRZSA-N 0 2 374.828 2.675 20 10 FFCDLN COc1ccccc1[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1noc(C)n1 ZINC000113958705 508288157 /nfs/dbraw/zinc/28/81/57/508288157.db2.gz GYKMXFCWIYBSFI-QGZVFWFLSA-N 0 2 370.365 2.880 20 10 FFCDLN CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000271222049 511126709 /nfs/dbraw/zinc/12/67/09/511126709.db2.gz PKEKQRBNZFTUMK-QMMMGPOBSA-N 0 2 356.766 2.676 20 10 FFCDLN CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000271222049 511126711 /nfs/dbraw/zinc/12/67/11/511126711.db2.gz PKEKQRBNZFTUMK-QMMMGPOBSA-N 0 2 356.766 2.676 20 10 FFCDLN C[C@@H]1CN=C(N2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)S1 ZINC000093662970 728476957 /nfs/dbraw/zinc/47/69/57/728476957.db2.gz OWYZLNVMNWAYKP-SNVBAGLBSA-N 0 2 370.862 2.563 20 10 FFCDLN O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876567065 732257756 /nfs/dbraw/zinc/25/77/56/732257756.db2.gz AZFQRGNNMUNFBK-UHFFFAOYSA-N 0 2 350.340 2.768 20 10 FFCDLN O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000918744255 737823079 /nfs/dbraw/zinc/82/30/79/737823079.db2.gz XUPLSMYDXQOQLH-UHFFFAOYSA-N 0 2 362.388 2.874 20 10 FFCDLN COc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000776751408 738229993 /nfs/dbraw/zinc/22/99/93/738229993.db2.gz VBSCULZSTQOZTM-UHFFFAOYSA-N 0 2 358.759 2.763 20 10 FFCDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792703283 739695981 /nfs/dbraw/zinc/69/59/81/739695981.db2.gz SNUGXELQXQMQQR-UHFFFAOYSA-N 0 2 370.408 2.832 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000808526723 741232490 /nfs/dbraw/zinc/23/24/90/741232490.db2.gz VDRSTJPAGLKOAS-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN COc1ccc(S(=O)(=O)Nc2cccc(O)c2O)c(Br)c1 ZINC001198073919 1004470682 /nfs/dbraw/zinc/47/06/82/1004470682.db2.gz RPXPCOXVKWYLIE-UHFFFAOYSA-N 0 2 374.212 2.670 20 10 FFCDLN CN(C)c1ccc(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1F ZINC000748041677 1006876489 /nfs/dbraw/zinc/87/64/89/1006876489.db2.gz ACSWWTWJBZMCDF-UHFFFAOYSA-N 0 2 372.375 2.852 20 10 FFCDLN COc1ccc(N2CC[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000819587474 1008185137 /nfs/dbraw/zinc/18/51/37/1008185137.db2.gz ZMZYNGNDQPJYMU-CYBMUJFWSA-N 0 2 371.393 2.565 20 10 FFCDLN CN1CCCC[C@@H]1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001178697008 1009095776 /nfs/dbraw/zinc/09/57/76/1009095776.db2.gz RMAZLLZPTVYLTR-QGZVFWFLSA-N 0 2 364.401 2.590 20 10 FFCDLN C[C@H](CC(=O)[O-])[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001117953205 1021974320 /nfs/dbraw/zinc/97/43/20/1021974320.db2.gz CNUXAAJMNLUQCC-ZCFIWIBFSA-N 0 2 367.037 2.870 20 10 FFCDLN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1c(F)ccc(F)c1O ZINC001139688933 1035198888 /nfs/dbraw/zinc/19/88/88/1035198888.db2.gz DFWCAGDULMMNJT-AEFFLSMTSA-N 0 2 363.360 2.786 20 10 FFCDLN CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2c(O)cc(F)cc2F)CCO1 ZINC001140583198 1035663845 /nfs/dbraw/zinc/66/38/45/1035663845.db2.gz YUEJUPXVZAXJFL-CYBMUJFWSA-N 0 2 372.412 2.786 20 10 FFCDLN O=C1CC(Oc2c(=O)c3ccc(O)cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001228370037 1036075355 /nfs/dbraw/zinc/07/53/55/1036075355.db2.gz WDOMXOCMEHGSOU-UHFFFAOYSA-N 0 2 354.314 2.687 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2cccc3nsnc32)c(C(C)=O)c1 ZINC001260388886 1040571089 /nfs/dbraw/zinc/57/10/89/1040571089.db2.gz GZDGKBJZYPEGKQ-UHFFFAOYSA-N 0 2 363.420 2.703 20 10 FFCDLN CC(=O)Oc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261073732 1040981876 /nfs/dbraw/zinc/98/18/76/1040981876.db2.gz SZZFAFABTMYTRA-UHFFFAOYSA-N 0 2 367.770 2.602 20 10 FFCDLN O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Br)c1O ZINC001262111718 1041565510 /nfs/dbraw/zinc/56/55/10/1041565510.db2.gz NPPXCBOQSPBFAM-LXIMFEHMSA-N 0 2 350.665 2.513 20 10 FFCDLN CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1ccc(F)c(F)c1O)C2 ZINC001279697577 1043488791 /nfs/dbraw/zinc/48/87/91/1043488791.db2.gz MUWAFIVOTHOYNT-OAHLLOKOSA-N 0 2 360.404 2.980 20 10 FFCDLN CCOC(=O)CN1C(=O)/C(=C\c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000755607302 1052607781 /nfs/dbraw/zinc/60/77/81/1052607781.db2.gz WXXKFWCIYWAPDG-GDNBJRDFSA-N 0 2 368.345 2.751 20 10 FFCDLN COc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1N1CCOC1=O ZINC001461237848 1061263805 /nfs/dbraw/zinc/26/38/05/1061263805.db2.gz FKVHBMXCHDNQOM-UHFFFAOYSA-N 0 2 359.338 2.878 20 10 FFCDLN COc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)cc(OC)c1OC ZINC000125683386 509016223 /nfs/dbraw/zinc/01/62/23/509016223.db2.gz WOZNBYHCJWZHPZ-UHFFFAOYSA-N 0 2 361.423 2.647 20 10 FFCDLN CN(C)c1ccc2c(c1)OCCN2C(=O)C1=NN(c2ccccc2)CC1=O ZINC000486551807 515533354 /nfs/dbraw/zinc/53/33/54/515533354.db2.gz SOCUPGVLGLZFRW-UHFFFAOYSA-N 0 2 364.405 2.683 20 10 FFCDLN CC(C)Oc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1-c1nn[nH]n1 ZINC000824328830 609490176 /nfs/dbraw/zinc/49/01/76/609490176.db2.gz BMKVDZUHHIHYLU-UHFFFAOYSA-N 0 2 370.369 2.880 20 10 FFCDLN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000023398060 727845432 /nfs/dbraw/zinc/84/54/32/727845432.db2.gz GTTLNHVELUQZRO-UHFFFAOYSA-N 0 2 366.873 2.574 20 10 FFCDLN O=c1ccc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc2o1 ZINC000054294287 728088101 /nfs/dbraw/zinc/08/81/01/728088101.db2.gz XIXOAUSJYUSCNL-UHFFFAOYSA-N 0 2 359.388 2.599 20 10 FFCDLN Cc1cc(-c2csc(NS(=O)(=O)c3cnc(C)n3C)n2)c(C)o1 ZINC000863433669 730781290 /nfs/dbraw/zinc/78/12/90/730781290.db2.gz FBIITEUIRXMJNU-UHFFFAOYSA-N 0 2 352.441 2.863 20 10 FFCDLN Cc1cccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1F ZINC000781646735 738645636 /nfs/dbraw/zinc/64/56/36/738645636.db2.gz RQVIPMMVLHQASZ-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)[C@H](C)C1 ZINC000894035193 734790404 /nfs/dbraw/zinc/79/04/04/734790404.db2.gz WGXIITMUYFWULT-SECBINFHSA-N 0 2 361.667 2.861 20 10 FFCDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)CCc2sccc2-3)cn1 ZINC000903253195 736067761 /nfs/dbraw/zinc/06/77/61/736067761.db2.gz KGOZPTHKMPYGPZ-UHFFFAOYSA-N 0 2 366.493 2.987 20 10 FFCDLN O=S(=O)(Nc1ccc(F)c(Br)c1)c1cccc2nonc21 ZINC000765099803 737082770 /nfs/dbraw/zinc/08/27/70/737082770.db2.gz YRAOWTIAWNUZIW-UHFFFAOYSA-N 0 2 372.175 2.925 20 10 FFCDLN Cc1c(NS(=O)(=O)c2cccc3nonc32)cccc1-c1ncco1 ZINC000793441806 739781873 /nfs/dbraw/zinc/78/18/73/739781873.db2.gz CEHHAVTYZKWBFO-UHFFFAOYSA-N 0 2 356.363 2.987 20 10 FFCDLN Cc1cc(-c2csc(NS(=O)(=O)c3cnn(C)c3C)n2)c(C)o1 ZINC000794016065 739841061 /nfs/dbraw/zinc/84/10/61/739841061.db2.gz HPZJPQDEESSXTC-UHFFFAOYSA-N 0 2 352.441 2.863 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000795545660 740035163 /nfs/dbraw/zinc/03/51/63/740035163.db2.gz JGATZFIGFVAQRS-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN Cn1cnc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c1Cl ZINC000805135623 740944171 /nfs/dbraw/zinc/94/41/71/740944171.db2.gz PECHMVSZFFEQMA-UHFFFAOYSA-N 0 2 370.645 2.564 20 10 FFCDLN CCC1(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)COC1 ZINC001143460403 968752977 /nfs/dbraw/zinc/75/29/77/968752977.db2.gz AJQIIAMMGVPPBI-UHFFFAOYSA-N 0 2 351.358 2.533 20 10 FFCDLN O=C(C1CC1)N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141373352 975567420 /nfs/dbraw/zinc/56/74/20/975567420.db2.gz ZZAOHFLMYRJQLY-UHFFFAOYSA-N 0 2 373.678 2.862 20 10 FFCDLN CC(C)C[C@H](O)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001144175841 998086530 /nfs/dbraw/zinc/08/65/30/998086530.db2.gz OCZAWIRKOQUEPL-KRWDZBQOSA-N 0 2 353.374 2.513 20 10 FFCDLN CCn1c(=O)c2ccc(C(=O)NCc3cc(C)ccc3O)cc2[nH]c1=S ZINC001147957812 1001015592 /nfs/dbraw/zinc/01/55/92/1001015592.db2.gz WQCZTKPWLDOFFG-UHFFFAOYSA-N 0 2 369.446 2.649 20 10 FFCDLN COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1ccc2occc2c1 ZINC001198869149 1004767473 /nfs/dbraw/zinc/76/74/73/1004767473.db2.gz SKRSAGNDSQYDOZ-UHFFFAOYSA-N 0 2 365.338 2.865 20 10 FFCDLN COc1nc(S(=O)(=O)Nc2nc(-c3ccncc3)cs2)ccc1F ZINC001190057917 1007439118 /nfs/dbraw/zinc/43/91/18/1007439118.db2.gz SCTUXQOAGWNDKX-UHFFFAOYSA-N 0 2 366.399 2.549 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)[C@H]1CCCC[C@@H]1O ZINC001181089846 1009963826 /nfs/dbraw/zinc/96/38/26/1009963826.db2.gz QDTHRUHPINWWHK-GUYCJALGSA-N 0 2 365.385 2.657 20 10 FFCDLN CC(C)CN1CC2(CN(Cc3cc(Cl)cc(Cl)c3O)C2)OCC1=O ZINC001275236151 1012124290 /nfs/dbraw/zinc/12/42/90/1012124290.db2.gz LAWGTAAXMALRQQ-UHFFFAOYSA-N 0 2 373.280 2.768 20 10 FFCDLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccccc3O)cc2[nH]c1=S ZINC000119972380 1022622203 /nfs/dbraw/zinc/62/22/03/1022622203.db2.gz ORECDGPWJDHPHY-UHFFFAOYSA-N 0 2 369.446 2.683 20 10 FFCDLN O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC[C@H]3C[C@H](O)C3)c12 ZINC001218426396 1033148760 /nfs/dbraw/zinc/14/87/60/1033148760.db2.gz SUJCZFWHFLDQQH-UMSPYCQHSA-N 0 2 370.357 2.727 20 10 FFCDLN COc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1-n1nnnc1C ZINC000757598302 1023834422 /nfs/dbraw/zinc/83/44/22/1023834422.db2.gz VHAKATIGXWTIKK-SNVBAGLBSA-N 0 2 370.369 2.766 20 10 FFCDLN O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139683219 1035196818 /nfs/dbraw/zinc/19/68/18/1035196818.db2.gz IBLLGJOJVGXWBR-ZDUSSCGKSA-N 0 2 353.390 2.719 20 10 FFCDLN Cn1cc2c(n1)CN(Cc1c(F)ccc(F)c1O)C[C@H]2COCC1CC1 ZINC001139681964 1035196881 /nfs/dbraw/zinc/19/68/81/1035196881.db2.gz JTLRBAPGERHYOX-ZDUSSCGKSA-N 0 2 363.408 2.930 20 10 FFCDLN COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(F)c(F)c1O ZINC001233076887 1036324516 /nfs/dbraw/zinc/32/45/16/1036324516.db2.gz WYMFHUDVKBSQRC-CYBMUJFWSA-N 0 2 372.412 2.738 20 10 FFCDLN O=C(Cc1ccsc1)N1CCC12CN(Cc1c(F)ccc(F)c1O)C2 ZINC001278686626 1039776554 /nfs/dbraw/zinc/77/65/54/1039776554.db2.gz FQOXMPCMUVZCEY-UHFFFAOYSA-N 0 2 364.417 2.761 20 10 FFCDLN O=C(Cc1ccsc1)N1CCC12C[NH+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001278686626 1039776559 /nfs/dbraw/zinc/77/65/59/1039776559.db2.gz FQOXMPCMUVZCEY-UHFFFAOYSA-N 0 2 364.417 2.761 20 10 FFCDLN O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001278687226 1039782016 /nfs/dbraw/zinc/78/20/16/1039782016.db2.gz LVFRRVSRVJQJRL-BETUJISGSA-N 0 2 364.417 2.760 20 10 FFCDLN COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1O ZINC001259469922 1040035136 /nfs/dbraw/zinc/03/51/36/1040035136.db2.gz KWTCXBDENNGQQG-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN O=C1CCCCc2c(NS(=O)(=O)c3cccc4nonc43)cccc21 ZINC001260441364 1040592972 /nfs/dbraw/zinc/59/29/72/1040592972.db2.gz FLCMZCGLUOOKGM-UHFFFAOYSA-N 0 2 357.391 2.933 20 10 FFCDLN O=C(Nc1cccnc1)N1CCC12CN(Cc1c(O)cc(F)cc1F)C2 ZINC001278605597 1041391434 /nfs/dbraw/zinc/39/14/34/1041391434.db2.gz HXTPSVSFTPIAOL-UHFFFAOYSA-N 0 2 360.364 2.558 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC001353932291 1058390689 /nfs/dbraw/zinc/39/06/89/1058390689.db2.gz HZVBSBIGDPHJTM-UHFFFAOYSA-N 0 2 366.493 2.813 20 10 FFCDLN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)c1 ZINC001453745221 1059405061 /nfs/dbraw/zinc/40/50/61/1059405061.db2.gz AQJGBIJYHKQELC-GFCCVEGCSA-N 0 2 374.828 2.675 20 10 FFCDLN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001474648162 1065569648 /nfs/dbraw/zinc/56/96/48/1065569648.db2.gz XBQWAULMVZQPPJ-KCJUWKMLSA-N 0 2 352.303 2.559 20 10 FFCDLN C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001474648162 1065569663 /nfs/dbraw/zinc/56/96/63/1065569663.db2.gz XBQWAULMVZQPPJ-KCJUWKMLSA-N 0 2 352.303 2.559 20 10 FFCDLN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000369077839 512217326 /nfs/dbraw/zinc/21/73/26/512217326.db2.gz NGQTTYYAMZTUTN-CQSZACIVSA-N 0 2 350.378 2.860 20 10 FFCDLN O=C(NC1CCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267509887 509523809 /nfs/dbraw/zinc/52/38/09/509523809.db2.gz LPORIRXFRNSHOV-UHFFFAOYSA-N 0 2 352.437 2.537 20 10 FFCDLN Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000297524012 510978239 /nfs/dbraw/zinc/97/82/39/510978239.db2.gz DDWQTMLPKCTQHA-LJQANCHMSA-N 0 2 368.477 2.880 20 10 FFCDLN CCOCc1nc([C@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000290378774 511135072 /nfs/dbraw/zinc/13/50/72/511135072.db2.gz AXXWCGBQLKTCHO-QMMMGPOBSA-N 0 2 356.766 2.724 20 10 FFCDLN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000161888194 728936814 /nfs/dbraw/zinc/93/68/14/728936814.db2.gz BGWAJNCPVXQTFY-UHFFFAOYSA-N 0 2 360.395 2.681 20 10 FFCDLN COc1c(O)c(CN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823134 732442089 /nfs/dbraw/zinc/44/20/89/732442089.db2.gz VCRJITZBQONDFQ-JOYOIKCWSA-N 0 2 364.320 2.851 20 10 FFCDLN Cn1nccc1S(=O)(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000727247282 734473753 /nfs/dbraw/zinc/47/37/53/734473753.db2.gz YIEVBMDYWMGTDE-UHFFFAOYSA-N 0 2 356.379 2.623 20 10 FFCDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776748964 738229526 /nfs/dbraw/zinc/22/95/26/738229526.db2.gz RTRACMIEWWNQSZ-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000790408636 739449298 /nfs/dbraw/zinc/44/92/98/739449298.db2.gz CDENQOSLUBMKCZ-UHFFFAOYSA-N 0 2 352.368 2.808 20 10 FFCDLN COc1ccc(-c2csc(NS(=O)(=O)c3cnn(C)c3C)n2)cc1 ZINC000794003712 739836826 /nfs/dbraw/zinc/83/68/26/739836826.db2.gz ZCIUYNXKJYXCQT-UHFFFAOYSA-N 0 2 364.452 2.661 20 10 FFCDLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O ZINC000799542174 740428002 /nfs/dbraw/zinc/42/80/02/740428002.db2.gz PMHDBDWQVXLFGD-UHFFFAOYSA-N 0 2 363.391 2.572 20 10 FFCDLN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Br)cc1O ZINC000824938764 743182304 /nfs/dbraw/zinc/18/23/04/743182304.db2.gz LUULCDPFYKWNSI-HLLBOEOZSA-N 0 2 369.303 2.838 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000849308264 749096102 /nfs/dbraw/zinc/09/61/02/749096102.db2.gz ONWYVSQLYGWOOM-MRXNPFEDSA-N 0 2 371.455 2.516 20 10 FFCDLN Cc1cc(CNC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000895410839 970593768 /nfs/dbraw/zinc/59/37/68/970593768.db2.gz JSGSKDIWEPXOJR-HXUWFJFHSA-N 0 2 369.513 2.867 20 10 FFCDLN CC(C)C[C@@H](O)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001144175842 998086635 /nfs/dbraw/zinc/08/66/35/998086635.db2.gz OCZAWIRKOQUEPL-QGZVFWFLSA-N 0 2 353.374 2.513 20 10 FFCDLN CN1CCCc2cc(CNC(=O)C3=NN(c4ccccc4)CC3=O)ccc21 ZINC000743324763 999811846 /nfs/dbraw/zinc/81/18/46/999811846.db2.gz CUBPRXSCFSOXPH-UHFFFAOYSA-N 0 2 362.433 2.890 20 10 FFCDLN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ccc(C(F)(F)F)cn1 ZINC001194301598 1004697083 /nfs/dbraw/zinc/69/70/83/1004697083.db2.gz RSUCKEPOAOGKEJ-UHFFFAOYSA-N 0 2 354.256 2.885 20 10 FFCDLN C[C@H](C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)N1CCCC1 ZINC001180583711 1009760133 /nfs/dbraw/zinc/76/01/33/1009760133.db2.gz QSCXJPFLPSULBW-GFCCVEGCSA-N 0 2 364.401 2.590 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000756742820 1023752036 /nfs/dbraw/zinc/75/20/36/1023752036.db2.gz PJOMIUYNLVOXGO-CYBMUJFWSA-N 0 2 352.394 2.610 20 10 FFCDLN Cc1cc(CC(=O)N[C@@H](C)c2nn(C)cc2O)c(C)n1-c1ccccc1 ZINC001158308019 1029793629 /nfs/dbraw/zinc/79/36/29/1029793629.db2.gz UWJGOZXUBNKYGS-AWEZNQCLSA-N 0 2 352.438 2.953 20 10 FFCDLN Oc1c(F)ccc(F)c1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001139680782 1035195877 /nfs/dbraw/zinc/19/58/77/1035195877.db2.gz BUODIVPQNZSEPW-UHFFFAOYSA-N 0 2 364.396 2.594 20 10 FFCDLN COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1c(F)ccc(F)c1O ZINC001139689158 1035198881 /nfs/dbraw/zinc/19/88/81/1035198881.db2.gz DFWCAGDULMMNJT-WMZOPIPTSA-N 0 2 363.360 2.786 20 10 FFCDLN C[C@H]1COC[C@@H]1Oc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228365806 1036071490 /nfs/dbraw/zinc/07/14/90/1036071490.db2.gz OKXOKEWZGSUTPJ-BTDLBPIBSA-N 0 2 370.357 2.991 20 10 FFCDLN C[N@@H+](Cc1c(O)ccc(F)c1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332415 1036537496 /nfs/dbraw/zinc/53/74/96/1036537496.db2.gz KPFJSZOXWUHWKW-GFCCVEGCSA-N 0 2 372.412 2.738 20 10 FFCDLN C[N@H+](Cc1c(O)ccc(F)c1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332415 1036537502 /nfs/dbraw/zinc/53/75/02/1036537502.db2.gz KPFJSZOXWUHWKW-GFCCVEGCSA-N 0 2 372.412 2.738 20 10 FFCDLN C[N@@H+](Cc1c([O-])ccc(F)c1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332415 1036537515 /nfs/dbraw/zinc/53/75/15/1036537515.db2.gz KPFJSZOXWUHWKW-GFCCVEGCSA-N 0 2 372.412 2.738 20 10 FFCDLN C[N@H+](Cc1c([O-])ccc(F)c1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332415 1036537528 /nfs/dbraw/zinc/53/75/28/1036537528.db2.gz KPFJSZOXWUHWKW-GFCCVEGCSA-N 0 2 372.412 2.738 20 10 FFCDLN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237081618 1038438767 /nfs/dbraw/zinc/43/87/67/1038438767.db2.gz ZPGRGKFPNNKZGI-MRVWCRGKSA-N 0 2 359.253 2.519 20 10 FFCDLN CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001278686774 1039775261 /nfs/dbraw/zinc/77/52/61/1039775261.db2.gz IICGMYQEURCNDH-QLFBSQMISA-N 0 2 360.404 2.978 20 10 FFCDLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c(N)c1C ZINC001238001611 1043476904 /nfs/dbraw/zinc/47/69/04/1043476904.db2.gz FVKPZJZZBXTDAY-UHFFFAOYSA-N 0 2 352.803 2.876 20 10 FFCDLN CCn1[nH]cc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)c1=O ZINC001348093896 1054641456 /nfs/dbraw/zinc/64/14/56/1054641456.db2.gz HBJDNRAPYAUXLC-UHFFFAOYSA-N 0 2 368.441 2.619 20 10 FFCDLN CC(C)CONC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000269726000 510527933 /nfs/dbraw/zinc/52/79/33/510527933.db2.gz UMYIATHZYDQJTM-UHFFFAOYSA-N 0 2 370.452 2.572 20 10 FFCDLN CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000191467971 510673689 /nfs/dbraw/zinc/67/36/89/510673689.db2.gz HOLOPIVMPLFFPH-GFCCVEGCSA-N 0 2 366.784 2.840 20 10 FFCDLN COc1cc(OC)c(NS(=O)(=O)c2cccc3nsnc32)cc1F ZINC000531526745 516507315 /nfs/dbraw/zinc/50/73/15/516507315.db2.gz MAZPAEGHMPNCPE-UHFFFAOYSA-N 0 2 369.399 2.648 20 10 FFCDLN Oc1ccccc1CN(Cc1ccco1)Cc1ccc(-c2nn[nH]n2)o1 ZINC000823733398 607386530 /nfs/dbraw/zinc/38/65/30/607386530.db2.gz WNJLQMIUCVBVPH-UHFFFAOYSA-N 0 2 351.366 2.961 20 10 FFCDLN COC(=O)[C@](C)(Cn1cccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000898339718 735342581 /nfs/dbraw/zinc/34/25/81/735342581.db2.gz HUHVCPLRXQNEGR-HNNXBMFYSA-N 0 2 358.225 2.617 20 10 FFCDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cs1 ZINC000119968035 728603252 /nfs/dbraw/zinc/60/32/52/728603252.db2.gz BHKZCWRWGSKSHB-UHFFFAOYSA-N 0 2 368.421 2.976 20 10 FFCDLN COc1ccc(OC)c2c1CN(Cc1ccc(F)c(F)c1O)C[C@@H]2O ZINC000876550596 732255987 /nfs/dbraw/zinc/25/59/87/732255987.db2.gz HZZKUCXDJZQQDH-ZDUSSCGKSA-N 0 2 351.349 2.737 20 10 FFCDLN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000775288496 738079019 /nfs/dbraw/zinc/07/90/19/738079019.db2.gz NGUZGUZZOZTIBA-UHFFFAOYSA-N 0 2 350.352 2.694 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(F)cc1Cl ZINC000795275673 739994525 /nfs/dbraw/zinc/99/45/25/739994525.db2.gz GSTKONWGEGQSRV-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN Cc1noc2ncc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc12 ZINC000808113806 741187771 /nfs/dbraw/zinc/18/77/71/741187771.db2.gz JKIOEAFNGZIRGB-UHFFFAOYSA-N 0 2 357.750 2.830 20 10 FFCDLN O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]2CCC[C@H]21 ZINC000825201543 743227066 /nfs/dbraw/zinc/22/70/66/743227066.db2.gz LRSAGKAOUOVUHK-QWHCGFSZSA-N 0 2 350.267 2.851 20 10 FFCDLN COc1ccc(N)cc1S(=O)(=O)Nc1ccc(O)cc1C(F)(F)F ZINC001176340906 1013679906 /nfs/dbraw/zinc/67/99/06/1013679906.db2.gz ZIXSZBYEJOZMMO-UHFFFAOYSA-N 0 2 362.329 2.803 20 10 FFCDLN C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000127774138 1015553099 /nfs/dbraw/zinc/55/30/99/1015553099.db2.gz WTWXCKQPCFDVBB-GFCCVEGCSA-N 0 2 362.376 2.998 20 10 FFCDLN CO[C@H](C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001599040747 999116119 /nfs/dbraw/zinc/11/61/19/999116119.db2.gz WMAUEQIACBDDMR-CQSZACIVSA-N 0 2 358.438 2.942 20 10 FFCDLN CO[C@H](C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001599040747 999116122 /nfs/dbraw/zinc/11/61/22/999116122.db2.gz WMAUEQIACBDDMR-CQSZACIVSA-N 0 2 358.438 2.942 20 10 FFCDLN Cc1cnc(C)c(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)n1 ZINC001194914623 1004843142 /nfs/dbraw/zinc/84/31/42/1004843142.db2.gz DHSFWBSMUQGHFD-UHFFFAOYSA-N 0 2 373.368 2.827 20 10 FFCDLN COCc1nnc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)[nH]1 ZINC000821170434 1008426369 /nfs/dbraw/zinc/42/63/69/1008426369.db2.gz INPZZSWYMXVDIH-UHFFFAOYSA-N 0 2 373.457 2.701 20 10 FFCDLN O=C(C[C@H]1CCOC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001180922653 1009898530 /nfs/dbraw/zinc/89/85/30/1009898530.db2.gz VDKQNVOBFZAAAT-LLVKDONJSA-N 0 2 351.358 2.533 20 10 FFCDLN CC[C@H](C)N1CC2(CN(Cc3cc(Cl)cc(Cl)c3O)C2)OCC1=O ZINC001275237161 1012125795 /nfs/dbraw/zinc/12/57/95/1012125795.db2.gz VFZUTARDMPPHTB-NSHDSACASA-N 0 2 373.280 2.911 20 10 FFCDLN CCOC(=O)CN(CC(=O)OCC)Cc1cc(Cl)cc(Cl)c1O ZINC001203582222 1030773272 /nfs/dbraw/zinc/77/32/72/1030773272.db2.gz XPOUMBOFMGYKEU-UHFFFAOYSA-N 0 2 364.225 2.627 20 10 FFCDLN Cn1nc(COCC2CC2)c2c1CCN(Cc1c(O)cc(F)cc1F)C2 ZINC001140580453 1035658396 /nfs/dbraw/zinc/65/83/96/1035658396.db2.gz CTEBMUUFWHOLRH-UHFFFAOYSA-N 0 2 363.408 2.889 20 10 FFCDLN Cn1cc2c(n1)CN(Cc1c(O)cc(F)cc1F)C[C@@H]2COCC1CC1 ZINC001140581153 1035661572 /nfs/dbraw/zinc/66/15/72/1035661572.db2.gz MLHXXDZFUBWIJG-CYBMUJFWSA-N 0 2 363.408 2.930 20 10 FFCDLN Oc1cc(F)cc(F)c1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001140581662 1035662118 /nfs/dbraw/zinc/66/21/18/1035662118.db2.gz WLSRLQUNJBKKBA-YTQUADARSA-N 0 2 362.376 2.876 20 10 FFCDLN COC[C@H](C)Oc1c(=O)c2c(O)c(O)c(O)cc2oc1-c1ccc(O)cc1 ZINC001234736659 1037160038 /nfs/dbraw/zinc/16/00/38/1037160038.db2.gz CGZATSFUWYXHSS-VIFPVBQESA-N 0 2 374.345 2.696 20 10 FFCDLN O=C([O-])c1ccc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001231568218 1037691914 /nfs/dbraw/zinc/69/19/14/1037691914.db2.gz JBBPKYCLGGCMCQ-INIZCTEOSA-N 0 2 354.397 2.786 20 10 FFCDLN O=C1CCCc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2N1 ZINC001260388148 1040571953 /nfs/dbraw/zinc/57/19/53/1040571953.db2.gz VOQRPHKXEZBULW-UHFFFAOYSA-N 0 2 374.447 2.767 20 10 FFCDLN CCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1C ZINC000266368538 510544327 /nfs/dbraw/zinc/54/43/27/510544327.db2.gz UULDFKSPSJOZQA-UHFFFAOYSA-N 0 2 363.468 2.839 20 10 FFCDLN CC[C@H]1CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000294023437 510932501 /nfs/dbraw/zinc/93/25/01/510932501.db2.gz NKFBDBGQULJVEM-LBPRGKRZSA-N 0 2 366.464 2.879 20 10 FFCDLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000277733423 510971049 /nfs/dbraw/zinc/97/10/49/510971049.db2.gz TWMRTGMVZATKQE-UHFFFAOYSA-N 0 2 367.423 2.997 20 10 FFCDLN COc1c(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941514 511014997 /nfs/dbraw/zinc/01/49/97/511014997.db2.gz XYBIUPYUCKZRKR-CZUORRHYSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941514 511015003 /nfs/dbraw/zinc/01/50/03/511015003.db2.gz XYBIUPYUCKZRKR-CZUORRHYSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941514 511015009 /nfs/dbraw/zinc/01/50/09/511015009.db2.gz XYBIUPYUCKZRKR-CZUORRHYSA-N 0 2 361.442 2.758 20 10 FFCDLN COc1c(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278941514 511015014 /nfs/dbraw/zinc/01/50/14/511015014.db2.gz XYBIUPYUCKZRKR-CZUORRHYSA-N 0 2 361.442 2.758 20 10 FFCDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000273210627 511520174 /nfs/dbraw/zinc/52/01/74/511520174.db2.gz LKEVGJLHUJXNCB-HNNXBMFYSA-N 0 2 372.377 2.827 20 10 FFCDLN COc1ccc(O)c(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000365551951 511522187 /nfs/dbraw/zinc/52/21/87/511522187.db2.gz FUTMKFCEBSNNAE-UHFFFAOYSA-N 0 2 362.436 2.724 20 10 FFCDLN C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O ZINC000273446693 511525988 /nfs/dbraw/zinc/52/59/88/511525988.db2.gz NXIYVQLHPNALDG-KBXCAEBGSA-N 0 2 371.437 2.718 20 10 FFCDLN Cc1cc(C(=O)C[N@H+](CCCO)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859862 601595360 /nfs/dbraw/zinc/59/53/60/601595360.db2.gz TUTHWVGSUVPUSX-UHFFFAOYSA-N 0 2 370.449 2.822 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+](CCCO)C2CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859862 601595362 /nfs/dbraw/zinc/59/53/62/601595362.db2.gz TUTHWVGSUVPUSX-UHFFFAOYSA-N 0 2 370.449 2.822 20 10 FFCDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1F ZINC000121540637 728630185 /nfs/dbraw/zinc/63/01/85/728630185.db2.gz JKZOEYHARWRDGJ-UHFFFAOYSA-N 0 2 368.405 2.911 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cn(C)nc2C2CCCC2)ccc1O ZINC000901918831 735868687 /nfs/dbraw/zinc/86/86/87/735868687.db2.gz IFVPNNVOQQGYTK-UHFFFAOYSA-N 0 2 351.428 2.593 20 10 FFCDLN C/C=C\COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785407651 738961787 /nfs/dbraw/zinc/96/17/87/738961787.db2.gz LYKUXYSQDQLKBX-IHWYPQMZSA-N 0 2 353.421 2.987 20 10 FFCDLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000775271589 738077285 /nfs/dbraw/zinc/07/72/85/738077285.db2.gz PBOYMYRBTUDGQQ-UHFFFAOYSA-N 0 2 350.415 2.772 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cnn1C ZINC000794017548 739841034 /nfs/dbraw/zinc/84/10/34/739841034.db2.gz QDCUKBQFEDQVJG-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN Cc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(Cl)n1 ZINC000800925158 740566441 /nfs/dbraw/zinc/56/64/41/740566441.db2.gz FSYXYWZXHLFEFW-UHFFFAOYSA-N 0 2 369.859 2.701 20 10 FFCDLN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000811696205 741548995 /nfs/dbraw/zinc/54/89/95/741548995.db2.gz KUXYLQWFYIADFB-UHFFFAOYSA-N 0 2 372.786 2.901 20 10 FFCDLN COc1ccc(O)c([C@@H](C)NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c1 ZINC000176289366 965636556 /nfs/dbraw/zinc/63/65/56/965636556.db2.gz ZCKLWXAGLHDOGR-LLVKDONJSA-N 0 2 371.368 2.922 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000786940024 1001650918 /nfs/dbraw/zinc/65/09/18/1001650918.db2.gz PSBCXBSJFWCMDF-ZDUSSCGKSA-N 0 2 352.394 2.610 20 10 FFCDLN COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC001197036327 1004057495 /nfs/dbraw/zinc/05/74/95/1004057495.db2.gz JKYGZIDNCCZXIS-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@@H]3COC[C@H]3F)c12 ZINC001227504923 1035589516 /nfs/dbraw/zinc/58/95/16/1035589516.db2.gz LXJSPESWVUVEQC-BDJLRTHQSA-N 0 2 358.321 2.987 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2Cc3ccncc3C2)c1 ZINC001233308523 1036515251 /nfs/dbraw/zinc/51/52/51/1036515251.db2.gz UKAYTEWZECYWLK-UHFFFAOYSA-N 0 2 363.211 2.852 20 10 FFCDLN O=C([C@H]1CCCCN1Cc1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC001233418634 1036610773 /nfs/dbraw/zinc/61/07/73/1036610773.db2.gz PEIXCYIQDLFJCA-OAHLLOKOSA-N 0 2 372.387 2.624 20 10 FFCDLN O=S(=O)(Nc1cc(F)cc(Br)c1)c1cccc2nonc21 ZINC001260440786 1040593114 /nfs/dbraw/zinc/59/31/14/1040593114.db2.gz MDXLPZVIZDMZRU-UHFFFAOYSA-N 0 2 372.175 2.925 20 10 FFCDLN O=S(=O)(Nc1ccc2ocnc2c1)c1ccc(Cl)c2nonc21 ZINC001261071271 1040978684 /nfs/dbraw/zinc/97/86/84/1040978684.db2.gz VZOCBOJSISVMNX-UHFFFAOYSA-N 0 2 350.743 2.818 20 10 FFCDLN C[C@H]1c2ncc(CC(N)=O)n2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001279971348 1044010920 /nfs/dbraw/zinc/01/09/20/1044010920.db2.gz ASCNXROKFXFOMW-VIFPVBQESA-N 0 2 369.252 2.500 20 10 FFCDLN CS(=O)(=O)c1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC001461568782 1061353540 /nfs/dbraw/zinc/35/35/40/1061353540.db2.gz ALYGRYYNFHDPFK-UHFFFAOYSA-N 0 2 356.787 2.969 20 10 FFCDLN CC(C)Cn1cnc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000177067793 509851966 /nfs/dbraw/zinc/85/19/66/509851966.db2.gz VXAMWMCJMPAFFD-UHFFFAOYSA-N 0 2 363.468 2.858 20 10 FFCDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000277631475 510967399 /nfs/dbraw/zinc/96/73/99/510967399.db2.gz KGEZIBPJEOFCRK-UHFFFAOYSA-N 0 2 371.436 2.828 20 10 FFCDLN CCOC[C@@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000530106804 517570127 /nfs/dbraw/zinc/57/01/27/517570127.db2.gz OJLRGNRDGTVGFL-INIZCTEOSA-N 0 2 371.433 2.566 20 10 FFCDLN CCOC[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000530106804 517570132 /nfs/dbraw/zinc/57/01/32/517570132.db2.gz OJLRGNRDGTVGFL-INIZCTEOSA-N 0 2 371.433 2.566 20 10 FFCDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000070828489 728205868 /nfs/dbraw/zinc/20/58/68/728205868.db2.gz MDQXDVUAGLKJTI-UHFFFAOYSA-N 0 2 362.392 2.914 20 10 FFCDLN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4nsnc43)c2)n[nH]1 ZINC000192715299 729457026 /nfs/dbraw/zinc/45/70/26/729457026.db2.gz YZQGKDHHHOKYKZ-UHFFFAOYSA-N 0 2 372.435 2.586 20 10 FFCDLN CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000761226836 736709594 /nfs/dbraw/zinc/70/95/94/736709594.db2.gz VVTDADVNWTVVFL-UHFFFAOYSA-N 0 2 367.833 2.787 20 10 FFCDLN CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000761226836 736709595 /nfs/dbraw/zinc/70/95/95/736709595.db2.gz VVTDADVNWTVVFL-UHFFFAOYSA-N 0 2 367.833 2.787 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000766046760 737186352 /nfs/dbraw/zinc/18/63/52/737186352.db2.gz CKHKIKBYMVUFKC-UHFFFAOYSA-N 0 2 357.334 2.997 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000769846463 737572936 /nfs/dbraw/zinc/57/29/36/737572936.db2.gz PETLLUYUXIDRKX-UHFFFAOYSA-N 0 2 364.452 2.836 20 10 FFCDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(F)c1 ZINC000776751121 738229898 /nfs/dbraw/zinc/22/98/98/738229898.db2.gz OABRZTMTOWDAGK-UHFFFAOYSA-N 0 2 358.778 2.944 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000790408683 739449436 /nfs/dbraw/zinc/44/94/36/739449436.db2.gz GNMOOMOPWOOJJI-UHFFFAOYSA-N 0 2 368.386 2.689 20 10 FFCDLN COc1ccc(-c2csc(NS(=O)(=O)c3c(C)cnn3C)n2)cc1 ZINC000795549019 740035423 /nfs/dbraw/zinc/03/54/23/740035423.db2.gz QEOBYZADOMJIJR-UHFFFAOYSA-N 0 2 364.452 2.661 20 10 FFCDLN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000800842233 740555000 /nfs/dbraw/zinc/55/50/00/740555000.db2.gz KMFZKRVEAUXZPT-UHFFFAOYSA-N 0 2 351.380 2.709 20 10 FFCDLN Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cn(C)nc3C)n2)s1 ZINC000808529444 741232873 /nfs/dbraw/zinc/23/28/73/741232873.db2.gz DVGWRSVIMAEMRM-UHFFFAOYSA-N 0 2 369.497 2.726 20 10 FFCDLN CCOc1ccncc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000840913413 747222657 /nfs/dbraw/zinc/22/26/57/747222657.db2.gz FEORLLIFELJTLX-UHFFFAOYSA-N 0 2 366.439 2.912 20 10 FFCDLN Cc1cc(Br)c(O)c(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)c1 ZINC000848563726 748961212 /nfs/dbraw/zinc/96/12/12/748961212.db2.gz YOYJKHQGASYGJI-GFCCVEGCSA-N 0 2 367.247 2.723 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc3nonc32)ccc1Cl ZINC000014257093 845027548 /nfs/dbraw/zinc/02/75/48/845027548.db2.gz PAXFCKSODHXBJL-UHFFFAOYSA-N 0 2 354.731 2.585 20 10 FFCDLN CC[C@H]1NC(=O)N(c2cccc(NCc3cc([N+](=O)[O-])ccc3O)c2)C1=O ZINC000793347735 1003347488 /nfs/dbraw/zinc/34/74/88/1003347488.db2.gz QLZWOOJCPTZICP-OAHLLOKOSA-N 0 2 370.365 2.747 20 10 FFCDLN O=C(c1ccc(F)cc1)c1ccccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC001193196267 1004399865 /nfs/dbraw/zinc/39/98/65/1004399865.db2.gz IJLKPCZLSMNSTL-OAHLLOKOSA-N 0 2 363.410 2.977 20 10 FFCDLN COc1ccc(N2CC[C@H](CNC(=O)c3cc(F)c(O)c(F)c3)C2)cc1 ZINC000819586652 1008184702 /nfs/dbraw/zinc/18/47/02/1008184702.db2.gz SLHSVUBXOVJHND-GFCCVEGCSA-N 0 2 362.376 2.935 20 10 FFCDLN C[C@@H]1CC[C@H](C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)O1 ZINC001178839063 1009146755 /nfs/dbraw/zinc/14/67/55/1009146755.db2.gz USKNYCLUUZKCRA-BMLIUANNSA-N 0 2 351.358 2.674 20 10 FFCDLN C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001206810945 1032439296 /nfs/dbraw/zinc/43/92/96/1032439296.db2.gz XACQZIHZPCVRDL-PELKAZGASA-N 0 2 352.303 2.559 20 10 FFCDLN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001206810945 1032439298 /nfs/dbraw/zinc/43/92/98/1032439298.db2.gz XACQZIHZPCVRDL-PELKAZGASA-N 0 2 352.303 2.559 20 10 FFCDLN COC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)Cc2nnn(C)c21 ZINC001203575350 1030770678 /nfs/dbraw/zinc/77/06/78/1030770678.db2.gz LEYDPBAXRJOJMK-SNVBAGLBSA-N 0 2 357.241 2.573 20 10 FFCDLN COCCNC(=O)c1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000797035847 1030984951 /nfs/dbraw/zinc/98/49/51/1030984951.db2.gz ACPNWUJXWWDPJJ-LBPRGKRZSA-N 0 2 359.382 2.850 20 10 FFCDLN CCCCN1C[C@]2(CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968154 1033866842 /nfs/dbraw/zinc/86/68/42/1033866842.db2.gz YJMPZMLBJSMQGC-GOSISDBHSA-N 0 2 370.852 2.788 20 10 FFCDLN O=C1NCCN(Cc2c(F)ccc(F)c2O)[C@@H]1c1ccc(Cl)cc1 ZINC001139686824 1035197667 /nfs/dbraw/zinc/19/76/67/1035197667.db2.gz GPXZPZJXKSQEHR-OAHLLOKOSA-N 0 2 352.768 2.997 20 10 FFCDLN Cc1cc2c(cccc2NS(=O)(=O)c2cccc3nsnc32)nn1 ZINC001260387687 1040569928 /nfs/dbraw/zinc/56/99/28/1040569928.db2.gz INNZLSUUDSEKKT-UHFFFAOYSA-N 0 2 357.420 2.744 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1-c1cnco1 ZINC001260441253 1040592198 /nfs/dbraw/zinc/59/21/98/1040592198.db2.gz YCUNHJSBBGLJMY-UHFFFAOYSA-N 0 2 372.362 2.687 20 10 FFCDLN CN(C)C(=O)c1n[nH]c2c1CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001279976276 1044019759 /nfs/dbraw/zinc/01/97/59/1044019759.db2.gz QBFLLYGXBIRHAE-UHFFFAOYSA-N 0 2 369.252 2.682 20 10 FFCDLN CCCN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000177124932 509887291 /nfs/dbraw/zinc/88/72/91/509887291.db2.gz NBALOBUDTBHXKL-UHFFFAOYSA-N 0 2 354.453 2.737 20 10 FFCDLN O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCCC1 ZINC000175179097 510519050 /nfs/dbraw/zinc/51/90/50/510519050.db2.gz BIEMWCNYHHSLJT-UHFFFAOYSA-N 0 2 366.464 2.881 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000277583336 510965900 /nfs/dbraw/zinc/96/59/00/510965900.db2.gz YYUCYUHWMXYQKI-GPCCPHFNSA-N 0 2 366.330 2.956 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)C(F)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000277583336 510965906 /nfs/dbraw/zinc/96/59/06/510965906.db2.gz YYUCYUHWMXYQKI-GPCCPHFNSA-N 0 2 366.330 2.956 20 10 FFCDLN CO[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000831847939 601567764 /nfs/dbraw/zinc/56/77/64/601567764.db2.gz VYPCPEYZAJLVLV-KRWDZBQOSA-N 0 2 356.422 2.696 20 10 FFCDLN CO[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000831847939 601567765 /nfs/dbraw/zinc/56/77/65/601567765.db2.gz VYPCPEYZAJLVLV-KRWDZBQOSA-N 0 2 356.422 2.696 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859826 601595365 /nfs/dbraw/zinc/59/53/65/601595365.db2.gz YRNDHPOEDDMQBR-KRWDZBQOSA-N 0 2 356.422 2.696 20 10 FFCDLN Cc1cc(C(=O)C[N@H+](C)[C@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859826 601595366 /nfs/dbraw/zinc/59/53/66/601595366.db2.gz YRNDHPOEDDMQBR-KRWDZBQOSA-N 0 2 356.422 2.696 20 10 FFCDLN Cc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000833752922 605025058 /nfs/dbraw/zinc/02/50/58/605025058.db2.gz FKIPKSIOEPKTEX-KRWDZBQOSA-N 0 2 366.421 2.551 20 10 FFCDLN Cc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000833752922 605025060 /nfs/dbraw/zinc/02/50/60/605025060.db2.gz FKIPKSIOEPKTEX-KRWDZBQOSA-N 0 2 366.421 2.551 20 10 FFCDLN Cc1cnc(-c2cccc(NS(=O)(=O)c3cccc4nonc43)c2)o1 ZINC000163510203 728958361 /nfs/dbraw/zinc/95/83/61/728958361.db2.gz UJILSHBMFPQJFD-UHFFFAOYSA-N 0 2 356.363 2.987 20 10 FFCDLN Cn1nccc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000727241813 734473769 /nfs/dbraw/zinc/47/37/69/734473769.db2.gz HIYMCRZQCPKCSL-UHFFFAOYSA-N 0 2 354.844 2.998 20 10 FFCDLN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)cc(Cl)c1O ZINC000748034086 735610299 /nfs/dbraw/zinc/61/02/99/735610299.db2.gz GKKTXBLSHAZTRJ-UHFFFAOYSA-N 0 2 364.804 2.951 20 10 FFCDLN Cc1cc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)ccc1F ZINC000753977732 736112114 /nfs/dbraw/zinc/11/21/14/736112114.db2.gz JJPRRPGORNGHRJ-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccon1 ZINC000764411210 737015754 /nfs/dbraw/zinc/01/57/54/737015754.db2.gz HXQOJYLGNRETJQ-WUXMJOGZSA-N 0 2 363.376 2.690 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1OC(C)C ZINC000766380447 737224711 /nfs/dbraw/zinc/22/47/11/737224711.db2.gz SDJBJIVGSUJVFF-UHFFFAOYSA-N 0 2 363.395 2.819 20 10 FFCDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cs1 ZINC000808114686 741188337 /nfs/dbraw/zinc/18/83/37/741188337.db2.gz DYIZYQNYBGCSNM-UHFFFAOYSA-N 0 2 352.752 2.955 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2 ZINC000808526287 741232497 /nfs/dbraw/zinc/23/24/97/741232497.db2.gz PDGSREMAJLSBDO-UHFFFAOYSA-N 0 2 362.436 2.545 20 10 FFCDLN COCc1cc(CN[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000838944947 746742970 /nfs/dbraw/zinc/74/29/70/746742970.db2.gz QJWGQUPLCDCVRP-HNNXBMFYSA-N 0 2 365.861 2.934 20 10 FFCDLN COc1ccc(O)c([C@H](C)NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c1 ZINC000176289351 965635694 /nfs/dbraw/zinc/63/56/94/965635694.db2.gz ZCKLWXAGLHDOGR-NSHDSACASA-N 0 2 371.368 2.922 20 10 FFCDLN COc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000184737494 992963075 /nfs/dbraw/zinc/96/30/75/992963075.db2.gz HVKKXJKVDBMPFR-UHFFFAOYSA-N 0 2 371.393 2.708 20 10 FFCDLN Oc1c(Cl)cc(Cl)cc1CN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001203574253 1002342145 /nfs/dbraw/zinc/34/21/45/1002342145.db2.gz RJGRAMXZTVLYHZ-GFCCVEGCSA-N 0 2 360.159 2.825 20 10 FFCDLN CC[C@](C)(O)CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001184260800 1002544137 /nfs/dbraw/zinc/54/41/37/1002544137.db2.gz FTOKNOOEHVRCEY-FQEVSTJZSA-N 0 2 353.374 2.657 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1ccc(CO)cc1 ZINC001186114431 1003188254 /nfs/dbraw/zinc/18/82/54/1003188254.db2.gz RTMWZBDDUBXAPK-UHFFFAOYSA-N 0 2 373.364 2.912 20 10 FFCDLN CC[C@@H]1NC(=O)N(c2cccc(NCc3cc([N+](=O)[O-])ccc3O)c2)C1=O ZINC000793347734 1003347969 /nfs/dbraw/zinc/34/79/69/1003347969.db2.gz QLZWOOJCPTZICP-HNNXBMFYSA-N 0 2 370.365 2.747 20 10 FFCDLN Cn1cccc1CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001177320185 1008563289 /nfs/dbraw/zinc/56/32/89/1008563289.db2.gz HJVJAOXWISRSGZ-UHFFFAOYSA-N 0 2 360.369 2.687 20 10 FFCDLN C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000827786317 1018663748 /nfs/dbraw/zinc/66/37/48/1018663748.db2.gz ISUSUIIAXZBZCT-MAUKXSAKSA-N 0 2 371.447 2.980 20 10 FFCDLN C[C@@H](CC(=O)[O-])[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001117953204 1021988060 /nfs/dbraw/zinc/98/80/60/1021988060.db2.gz CNUXAAJMNLUQCC-LURJTMIESA-N 0 2 367.037 2.870 20 10 FFCDLN O=C(COc1cccnc1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001142308815 1030300071 /nfs/dbraw/zinc/30/00/71/1030300071.db2.gz JCXFKDQAOCFXGY-UHFFFAOYSA-N 0 2 374.352 2.580 20 10 FFCDLN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097474 1034517123 /nfs/dbraw/zinc/51/71/23/1034517123.db2.gz HSFCQFRIUCHAJC-BFUOFWGJSA-N 0 2 368.424 2.520 20 10 FFCDLN CC[C@@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001277097474 1034517125 /nfs/dbraw/zinc/51/71/25/1034517125.db2.gz HSFCQFRIUCHAJC-BFUOFWGJSA-N 0 2 368.424 2.520 20 10 FFCDLN O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O[C@@H]3CCOC3)c12 ZINC001227029247 1034914319 /nfs/dbraw/zinc/91/43/19/1034914319.db2.gz GRJSZQUJFRDEPS-GFCCVEGCSA-N 0 2 356.330 2.745 20 10 FFCDLN Oc1cc(F)cc(F)c1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001140581154 1035662148 /nfs/dbraw/zinc/66/21/48/1035662148.db2.gz QZZSKNBAXUYASY-AWEZNQCLSA-N 0 2 363.408 2.926 20 10 FFCDLN CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2ccc(F)c(F)c2O)CCO1 ZINC001233074847 1036319443 /nfs/dbraw/zinc/31/94/43/1036319443.db2.gz YKOYSSNTPGEHSM-CYBMUJFWSA-N 0 2 372.412 2.786 20 10 FFCDLN CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001278686776 1039775424 /nfs/dbraw/zinc/77/54/24/1039775424.db2.gz IICGMYQEURCNDH-ZNMIVQPWSA-N 0 2 360.404 2.978 20 10 FFCDLN COC(=O)c1cc(C)cc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC001260388416 1040571156 /nfs/dbraw/zinc/57/11/56/1040571156.db2.gz IGTZSLQFXYVGSP-UHFFFAOYSA-N 0 2 363.420 2.587 20 10 FFCDLN CC1(C)CC(=O)Nc2ccc(NS(=O)(=O)c3cccc4nonc43)cc21 ZINC001260442305 1040594594 /nfs/dbraw/zinc/59/45/94/1040594594.db2.gz WDYZDMLTHFPWBT-UHFFFAOYSA-N 0 2 372.406 2.643 20 10 FFCDLN O=S(=O)(Nc1cccc(O)c1O)c1ccc(Br)c(F)c1 ZINC001260854839 1040855400 /nfs/dbraw/zinc/85/54/00/1040855400.db2.gz XLFOTLYBAGTLDX-UHFFFAOYSA-N 0 2 362.176 2.800 20 10 FFCDLN CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001278561266 1041175727 /nfs/dbraw/zinc/17/57/27/1041175727.db2.gz XQPFWWCUNSJMCZ-UHFFFAOYSA-N 0 2 358.269 2.935 20 10 FFCDLN CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001278605432 1041390252 /nfs/dbraw/zinc/39/02/52/1041390252.db2.gz CMKWBGYSWMHZLR-XHSDSOJGSA-N 0 2 360.404 2.978 20 10 FFCDLN Nc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001237946473 1043450086 /nfs/dbraw/zinc/45/00/86/1043450086.db2.gz WGAWMXBJWDUIKZ-UHFFFAOYSA-N 0 2 359.194 2.913 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001325940939 1046693998 /nfs/dbraw/zinc/69/39/98/1046693998.db2.gz XHMWDAROIIARKD-UHFFFAOYSA-N 0 2 350.318 2.939 20 10 FFCDLN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc(Cl)cc(Br)c1O ZINC001308844392 1052507118 /nfs/dbraw/zinc/50/71/18/1052507118.db2.gz KQTPGOOQIVNFSL-YIZRAAEISA-N 0 2 361.667 2.905 20 10 FFCDLN COc1cccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1O ZINC000373423849 512323467 /nfs/dbraw/zinc/32/34/67/512323467.db2.gz VTGDZRNCCQCJPV-UHFFFAOYSA-N 0 2 362.436 2.724 20 10 FFCDLN Cc1cc(CN2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)on1 ZINC000122354878 508521891 /nfs/dbraw/zinc/52/18/91/508521891.db2.gz XFFYKWBCCHTECC-UHFFFAOYSA-N 0 2 366.805 2.568 20 10 FFCDLN CC(C)CN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267106560 509348163 /nfs/dbraw/zinc/34/81/63/509348163.db2.gz ZNMUVFDEXDFADZ-UHFFFAOYSA-N 0 2 368.480 2.983 20 10 FFCDLN CCn1cc(S(=O)(=O)Nc2nc(-c3sc(C)nc3C)cs2)cn1 ZINC000263837491 510852018 /nfs/dbraw/zinc/85/20/18/510852018.db2.gz HANBTOGWEGTNGR-UHFFFAOYSA-N 0 2 369.497 2.901 20 10 FFCDLN Nc1[nH+]cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1Cl ZINC000302864653 511718410 /nfs/dbraw/zinc/71/84/10/511718410.db2.gz XNZZPUXWPAIMPV-UHFFFAOYSA-N 0 2 372.904 2.856 20 10 FFCDLN COc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)c(O)c1 ZINC000373846163 512534612 /nfs/dbraw/zinc/53/46/12/512534612.db2.gz SKKPFILNHJBOEO-UHFFFAOYSA-N 0 2 362.436 2.724 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(Cc3ccccn3)CC2)c1[O-] ZINC000121945932 728642222 /nfs/dbraw/zinc/64/22/22/728642222.db2.gz ZQGIJOTYIPUXAH-UHFFFAOYSA-N 0 2 362.817 2.667 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cnn(CC(F)F)c1 ZINC000188014422 729383414 /nfs/dbraw/zinc/38/34/14/729383414.db2.gz XYYBUFBOZIHVBN-UHFFFAOYSA-N 0 2 360.367 2.666 20 10 FFCDLN COc1c(O)c(CN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823135 732442000 /nfs/dbraw/zinc/44/20/00/732442000.db2.gz VCRJITZBQONDFQ-SKDRFNHKSA-N 0 2 364.320 2.851 20 10 FFCDLN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774195 732766000 /nfs/dbraw/zinc/76/60/00/732766000.db2.gz FKIJHHBIKAMKEC-LKFCYVNXSA-N 0 2 364.243 2.860 20 10 FFCDLN O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2ccccc2O)C1)C(F)(F)F ZINC000895077281 734960513 /nfs/dbraw/zinc/96/05/13/734960513.db2.gz JDKFBYURRPNBKV-PWSUYJOCSA-N 0 2 370.293 2.966 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cc(F)cc(F)c3)n2)cn1 ZINC000743046693 735274284 /nfs/dbraw/zinc/27/42/84/735274284.db2.gz KVFZJRJDBPCMOB-UHFFFAOYSA-N 0 2 356.379 2.623 20 10 FFCDLN COCc1cc(O)ccc1NS(=O)(=O)c1cn(C)nc1C1CCCC1 ZINC000901932934 735872334 /nfs/dbraw/zinc/87/23/34/735872334.db2.gz YHPZRVJUFBBPQF-UHFFFAOYSA-N 0 2 365.455 2.731 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000758782314 736520679 /nfs/dbraw/zinc/52/06/79/736520679.db2.gz PDEWJSKONFOJQC-UHFFFAOYSA-N 0 2 357.391 2.581 20 10 FFCDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000814211008 741804103 /nfs/dbraw/zinc/80/41/03/741804103.db2.gz YHELYZCBQADXQX-UHFFFAOYSA-N 0 2 360.482 2.537 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCCO2 ZINC000844665942 748070266 /nfs/dbraw/zinc/07/02/66/748070266.db2.gz WWUIWYNFFMEAFR-UHFFFAOYSA-N 0 2 365.407 2.753 20 10 FFCDLN O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000203064922 959641721 /nfs/dbraw/zinc/64/17/21/959641721.db2.gz FNFPMKWFGPIYEV-UVTDQMKNSA-N 0 2 373.459 2.938 20 10 FFCDLN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cccc3nonc32)n1 ZINC000161653875 967417760 /nfs/dbraw/zinc/41/77/60/967417760.db2.gz MPQWEGUIOROYBS-UHFFFAOYSA-N 0 2 369.406 2.826 20 10 FFCDLN CN(C)c1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)cc1F ZINC000743324196 999811916 /nfs/dbraw/zinc/81/19/16/999811916.db2.gz UJSUQNFBKLHJGN-UHFFFAOYSA-N 0 2 354.385 2.713 20 10 FFCDLN NC(=O)C1CCN(c2cccc(NC(=O)c3cccc(Cl)c3O)c2)CC1 ZINC000775753667 1004028260 /nfs/dbraw/zinc/02/82/60/1004028260.db2.gz NKSAJOAEISKVBW-UHFFFAOYSA-N 0 2 373.840 3.000 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1n[nH]c2c1CCC2 ZINC001201235508 1005181453 /nfs/dbraw/zinc/18/14/53/1005181453.db2.gz RTIMEXZGDMAFJZ-UHFFFAOYSA-N 0 2 373.368 2.632 20 10 FFCDLN COC(=O)c1cc(NS(=O)(=O)c2cc3c(s2)CCCC3)ccc1O ZINC001187207214 1005977281 /nfs/dbraw/zinc/97/72/81/1005977281.db2.gz USYQEOUUWZEJLP-UHFFFAOYSA-N 0 2 367.448 2.920 20 10 FFCDLN COCC1(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)CCC1 ZINC001181951096 1010319582 /nfs/dbraw/zinc/31/95/82/1010319582.db2.gz SBSUIVRCMJHBOV-UHFFFAOYSA-N 0 2 365.385 2.923 20 10 FFCDLN COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)cc(Cl)c1O ZINC001203581891 1030773719 /nfs/dbraw/zinc/77/37/19/1030773719.db2.gz CTNYMIOVLPFWFO-CGJHYDBRSA-N 0 2 360.237 2.851 20 10 FFCDLN CC(C)[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(Br)c1O ZINC001204790126 1031441897 /nfs/dbraw/zinc/44/18/97/1031441897.db2.gz IVELCHUOHYUNIU-LBPRGKRZSA-N 0 2 361.667 2.765 20 10 FFCDLN CC(C)[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(Br)c1O ZINC001204790117 1031442292 /nfs/dbraw/zinc/44/22/92/1031442292.db2.gz IVELCHUOHYUNIU-GFCCVEGCSA-N 0 2 361.667 2.765 20 10 FFCDLN O=c1c2ccc(O)cc2oc(-c2ccc(O)c(O)c2)c1O[C@@H]1COC[C@H]1F ZINC001228366240 1036072711 /nfs/dbraw/zinc/07/27/11/1036072711.db2.gz UOLJSQNBRZVFDX-MLGOLLRUSA-N 0 2 374.320 2.693 20 10 FFCDLN CC1=C(Oc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)C(=O)O[C@@H]1C ZINC001234746736 1037164914 /nfs/dbraw/zinc/16/49/14/1037164914.db2.gz DMRXFTNOZRUPDD-MRVPVSSYSA-N 0 2 370.313 2.661 20 10 FFCDLN CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001279696932 1043487333 /nfs/dbraw/zinc/48/73/33/1043487333.db2.gz DCQLFURTPJVQRS-XHSDSOJGSA-N 0 2 360.404 2.978 20 10 FFCDLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccccc3O)=N2)cc1 ZINC001302538621 1051130504 /nfs/dbraw/zinc/13/05/04/1051130504.db2.gz XAARSLYICJEKSI-LBPRGKRZSA-N 0 2 353.378 2.783 20 10 FFCDLN CCn1[nH]cc(-c2nnc(N(C)Cc3ccccc3O)n2CC(C)C)c1=O ZINC001344124598 1052611234 /nfs/dbraw/zinc/61/12/34/1052611234.db2.gz LHESIBIQKCALCG-UHFFFAOYSA-N 0 2 370.457 2.865 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000277004093 510952222 /nfs/dbraw/zinc/95/22/22/510952222.db2.gz YWJWBGOVNWQSSX-UHFFFAOYSA-N 0 2 367.423 2.781 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cn2c(n1)CCCC2 ZINC000376163196 512690066 /nfs/dbraw/zinc/69/00/66/512690066.db2.gz AUMYYYZUIJPENN-UHFFFAOYSA-N 0 2 361.452 2.539 20 10 FFCDLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000542237238 517453410 /nfs/dbraw/zinc/45/34/10/517453410.db2.gz ZMUUBNRQJNNOIT-UHFFFAOYSA-N 0 2 371.447 2.986 20 10 FFCDLN O=C(Nc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1)C1CC1 ZINC000019103172 727831266 /nfs/dbraw/zinc/83/12/66/727831266.db2.gz DEMNWKMEXUIFFX-UHFFFAOYSA-N 0 2 374.447 2.841 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O ZINC000133738051 728727749 /nfs/dbraw/zinc/72/77/49/728727749.db2.gz LOMCZBIQDQAMNB-UHFFFAOYSA-N 0 2 373.184 2.864 20 10 FFCDLN O=C1CCCc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc2N1 ZINC000192720751 729457097 /nfs/dbraw/zinc/45/70/97/729457097.db2.gz YBVSORFOXGQCHD-UHFFFAOYSA-N 0 2 374.447 2.767 20 10 FFCDLN CCOc1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)cc1 ZINC000727249340 734474281 /nfs/dbraw/zinc/47/42/81/734474281.db2.gz VJCPTPOUZQLPLP-UHFFFAOYSA-N 0 2 364.452 2.743 20 10 FFCDLN O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cnc2n1CCC2 ZINC000783595891 738818047 /nfs/dbraw/zinc/81/80/47/738818047.db2.gz UOBBWERRTJRAET-UHFFFAOYSA-N 0 2 374.447 2.646 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cnc2n1CCCC2 ZINC000903571609 736115941 /nfs/dbraw/zinc/11/59/41/736115941.db2.gz JVEFJYUIRUIWGT-UHFFFAOYSA-N 0 2 361.452 2.539 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000766049006 737187107 /nfs/dbraw/zinc/18/71/07/737187107.db2.gz YOFXMJHTDLPBFQ-UHFFFAOYSA-N 0 2 360.313 2.809 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccoc1 ZINC000795548992 740035749 /nfs/dbraw/zinc/03/57/49/740035749.db2.gz QAASSSSZTHJKJV-UHFFFAOYSA-N 0 2 364.404 2.975 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000795550793 740035973 /nfs/dbraw/zinc/03/59/73/740035973.db2.gz VYKCLZOXPORLLC-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CC(C)OC[C@@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCO1 ZINC001591718764 975630704 /nfs/dbraw/zinc/63/07/04/975630704.db2.gz UXHMGCNXYVOLEG-AWEZNQCLSA-N 0 2 364.417 2.641 20 10 FFCDLN CC(C)OC[C@@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCO1 ZINC001591718764 975630717 /nfs/dbraw/zinc/63/07/17/975630717.db2.gz UXHMGCNXYVOLEG-AWEZNQCLSA-N 0 2 364.417 2.641 20 10 FFCDLN Cc1c(NCc2cc([N+](=O)[O-])ccc2O)cccc1N1C(=O)N[C@H](C)C1=O ZINC000808446733 994121024 /nfs/dbraw/zinc/12/10/24/994121024.db2.gz LLDMPFTXKWNLAT-LLVKDONJSA-N 0 2 370.365 2.666 20 10 FFCDLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(F)c1 ZINC001190576714 1007702063 /nfs/dbraw/zinc/70/20/63/1007702063.db2.gz OKKRYXYZSPSVTI-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN CCC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367859 1026044171 /nfs/dbraw/zinc/04/41/71/1026044171.db2.gz UJDUJUMXXQLSBR-UHFFFAOYSA-N 0 2 361.667 2.862 20 10 FFCDLN COC[C@@H]1c2nnn(C)c2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001203575049 1030769220 /nfs/dbraw/zinc/76/92/20/1030769220.db2.gz CIKOOEYDWSTGQV-CYBMUJFWSA-N 0 2 357.241 2.573 20 10 FFCDLN CC(C)N(C)C(=O)c1noc2c1CN(Cc1c(F)ccc(F)c1O)CC2 ZINC001139681357 1035195785 /nfs/dbraw/zinc/19/57/85/1035195785.db2.gz OXOZYXHPRBIOJK-UHFFFAOYSA-N 0 2 365.380 2.697 20 10 FFCDLN COC[C@H]1CN(Cc2c(O)cc(F)cc2F)CCN1C(=O)OC(C)(C)C ZINC001140582794 1035663509 /nfs/dbraw/zinc/66/35/09/1035663509.db2.gz NACRPWHHCYBKKF-CYBMUJFWSA-N 0 2 372.412 2.738 20 10 FFCDLN OC[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC001237122414 1038448459 /nfs/dbraw/zinc/44/84/59/1038448459.db2.gz UXOWTCYSJYWQSW-HNNXBMFYSA-N 0 2 364.848 2.863 20 10 FFCDLN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2F)ccc1O ZINC001259457373 1040023509 /nfs/dbraw/zinc/02/35/09/1040023509.db2.gz DBNBRRZDHZBTOF-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN CCn1cc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc2n1 ZINC001260387917 1040569537 /nfs/dbraw/zinc/56/95/37/1040569537.db2.gz CXYUPMSHSAWLMN-UHFFFAOYSA-N 0 2 359.436 2.862 20 10 FFCDLN Cc1cc(=O)oc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc12 ZINC001260387722 1040569590 /nfs/dbraw/zinc/56/95/90/1040569590.db2.gz LRIWFHYTIAOVQO-UHFFFAOYSA-N 0 2 373.415 2.907 20 10 FFCDLN O=S(=O)(Nc1ccc2cncnc2c1)c1ccc(Cl)c2nonc21 ZINC001261072638 1040977820 /nfs/dbraw/zinc/97/78/20/1040977820.db2.gz AWVRRZBUVWETQO-UHFFFAOYSA-N 0 2 361.770 2.620 20 10 FFCDLN Nc1nc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc2s1 ZINC001237816773 1043377304 /nfs/dbraw/zinc/37/73/04/1043377304.db2.gz JVZMJFHIBZLQBG-UHFFFAOYSA-N 0 2 363.449 2.684 20 10 FFCDLN CO[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968278 1076314414 /nfs/dbraw/zinc/31/44/14/1076314414.db2.gz JAHPEERSHYABJT-HUUCEWRRSA-N 0 2 361.392 2.675 20 10 FFCDLN CO[C@@H]1C[C@@H]2CN(Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968278 1076314417 /nfs/dbraw/zinc/31/44/17/1076314417.db2.gz JAHPEERSHYABJT-HUUCEWRRSA-N 0 2 361.392 2.675 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1C ZINC000055668484 506820828 /nfs/dbraw/zinc/82/08/28/506820828.db2.gz QCRDTNTWEMEGTA-UHFFFAOYSA-N 0 2 374.509 2.927 20 10 FFCDLN COC(=O)c1cccc(NS(=O)(=O)c2cccc3nsnc32)c1C ZINC000028249413 507715586 /nfs/dbraw/zinc/71/55/86/507715586.db2.gz GCMAUBAYJMWJMF-UHFFFAOYSA-N 0 2 363.420 2.587 20 10 FFCDLN CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(COC)o3)cc2F)CC1 ZINC000127585250 508472365 /nfs/dbraw/zinc/47/23/65/508472365.db2.gz SBHBXMSUBLYBKR-UHFFFAOYSA-N 0 2 361.461 2.997 20 10 FFCDLN CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000293843906 510873596 /nfs/dbraw/zinc/87/35/96/510873596.db2.gz HGDGEVOPCLDQAF-JTQLQIEISA-N 0 2 352.283 2.956 20 10 FFCDLN CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000293843906 510873599 /nfs/dbraw/zinc/87/35/99/510873599.db2.gz HGDGEVOPCLDQAF-JTQLQIEISA-N 0 2 352.283 2.956 20 10 FFCDLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C)c(OC)c1 ZINC000274969864 512002875 /nfs/dbraw/zinc/00/28/75/512002875.db2.gz CYISTCFOIZJAIA-UHFFFAOYSA-N 0 2 353.396 2.527 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(COC)ccc1OC ZINC000285287896 512065867 /nfs/dbraw/zinc/06/58/67/512065867.db2.gz ZTWNIIMKRWSRLX-UHFFFAOYSA-N 0 2 367.423 2.747 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1cn2c(n1)CCCC2 ZINC000371647717 512508078 /nfs/dbraw/zinc/50/80/78/512508078.db2.gz TWFJXCXLIXVJDN-UHFFFAOYSA-N 0 2 350.425 2.737 20 10 FFCDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000185608928 729352892 /nfs/dbraw/zinc/35/28/92/729352892.db2.gz VKCVHPHNLHGXCH-UHFFFAOYSA-N 0 2 372.431 2.886 20 10 FFCDLN O=C(c1cccc(F)c1)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876568004 732257750 /nfs/dbraw/zinc/25/77/50/732257750.db2.gz VBYDBGWGZRHAJS-UHFFFAOYSA-N 0 2 350.340 2.768 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cnn(C2CCC2)c1 ZINC000903571534 736115911 /nfs/dbraw/zinc/11/59/11/736115911.db2.gz IHSQOUSEAHFBKR-UHFFFAOYSA-N 0 2 361.452 2.927 20 10 FFCDLN CCOc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1OCC ZINC000765032061 737074116 /nfs/dbraw/zinc/07/41/16/737074116.db2.gz ZKCRUBKZUJOPJP-UHFFFAOYSA-N 0 2 363.395 2.821 20 10 FFCDLN Cc1ncc(-c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)o1 ZINC000765037980 737075183 /nfs/dbraw/zinc/07/51/83/737075183.db2.gz SATFUYBWFIBXLW-UHFFFAOYSA-N 0 2 356.363 2.987 20 10 FFCDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792703341 739695830 /nfs/dbraw/zinc/69/58/30/739695830.db2.gz VEVNGSOGSAIJMH-UHFFFAOYSA-N 0 2 371.411 2.841 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000808527000 741232412 /nfs/dbraw/zinc/23/24/12/741232412.db2.gz WOYQQGYWMGQAPJ-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000843040270 747753930 /nfs/dbraw/zinc/75/39/30/747753930.db2.gz TXZXUAZYZOVIOI-VIFPVBQESA-N 0 2 367.037 2.870 20 10 FFCDLN CC[C@@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H](C)[S@]1=O ZINC001595489997 981240519 /nfs/dbraw/zinc/24/05/19/981240519.db2.gz YJSIQMKJGKNNJU-RNONLVERSA-N 0 2 366.458 2.747 20 10 FFCDLN CC[C@@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@@H](C)[S@]1=O ZINC001595489997 981240523 /nfs/dbraw/zinc/24/05/23/981240523.db2.gz YJSIQMKJGKNNJU-RNONLVERSA-N 0 2 366.458 2.747 20 10 FFCDLN COc1ccc(N(C)CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000846442826 1000313886 /nfs/dbraw/zinc/31/38/86/1000313886.db2.gz ZJVMTRPEXDDZRM-UHFFFAOYSA-N 0 2 359.382 2.517 20 10 FFCDLN CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147883764 1001001297 /nfs/dbraw/zinc/00/12/97/1001001297.db2.gz IOYHCXUAKARUQU-UHFFFAOYSA-N 0 2 373.416 2.624 20 10 FFCDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2O)c(Cl)c1 ZINC001193307948 1004446842 /nfs/dbraw/zinc/44/68/42/1004446842.db2.gz MGAMCHPCOIHICZ-UHFFFAOYSA-N 0 2 356.787 2.510 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000775286983 1007237197 /nfs/dbraw/zinc/23/71/97/1007237197.db2.gz SVBOJLYXJGMZQL-UHFFFAOYSA-N 0 2 374.374 2.635 20 10 FFCDLN Cc1cc(CNC(=O)C[C@H]2SC(=N)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000863161310 1010117199 /nfs/dbraw/zinc/11/71/99/1010117199.db2.gz JKMARLMFUZAYCW-MRXNPFEDSA-N 0 2 370.478 2.575 20 10 FFCDLN C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756895533 1023765248 /nfs/dbraw/zinc/76/52/48/1023765248.db2.gz VTXDBOHISZCVFJ-LLVKDONJSA-N 0 2 370.365 2.872 20 10 FFCDLN CC(=O)N1CCC2(CC1)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CCO2 ZINC001203575424 1030770619 /nfs/dbraw/zinc/77/06/19/1030770619.db2.gz NRZUBRVUDJYDAH-UHFFFAOYSA-N 0 2 373.280 2.912 20 10 FFCDLN CC(=O)N1CCC2(CC1)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CCO2 ZINC001203575424 1030770634 /nfs/dbraw/zinc/77/06/34/1030770634.db2.gz NRZUBRVUDJYDAH-UHFFFAOYSA-N 0 2 373.280 2.912 20 10 FFCDLN O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC[C@@H]3CCO3)c12 ZINC001227030270 1034914209 /nfs/dbraw/zinc/91/42/09/1034914209.db2.gz ZDRYEDXWPLGHET-LBPRGKRZSA-N 0 2 356.330 2.745 20 10 FFCDLN COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(F)ccc(F)c1O ZINC001139685667 1035197837 /nfs/dbraw/zinc/19/78/37/1035197837.db2.gz SFGFOEWCNBVFPG-GFCCVEGCSA-N 0 2 372.412 2.738 20 10 FFCDLN O=C1OCC[C@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227503371 1035589118 /nfs/dbraw/zinc/58/91/18/1035589118.db2.gz BVMGLUNSPSRNQW-CYBMUJFWSA-N 0 2 354.314 2.566 20 10 FFCDLN COc1cc(C)nc(OC2CCN(Cc3c(O)ccc(F)c3F)CC2)n1 ZINC001233336548 1036544496 /nfs/dbraw/zinc/54/44/96/1036544496.db2.gz PNDPQKVXMIWCKW-UHFFFAOYSA-N 0 2 365.380 2.821 20 10 FFCDLN CC(=O)[C@@H](C)Oc1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c12 ZINC001229441970 1036675244 /nfs/dbraw/zinc/67/52/44/1036675244.db2.gz HQMDGLXBPZGYSR-SECBINFHSA-N 0 2 372.329 2.639 20 10 FFCDLN O=c1c(OC2CCC2)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12 ZINC001234794312 1037183404 /nfs/dbraw/zinc/18/34/04/1037183404.db2.gz JXEAJHRYHFGSOI-UHFFFAOYSA-N 0 2 372.329 2.919 20 10 FFCDLN COc1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])ccc3F)CC2)c(OC)c1 ZINC001231461277 1037604846 /nfs/dbraw/zinc/60/48/46/1037604846.db2.gz XCBGWBIQXUBVQY-UHFFFAOYSA-N 0 2 374.412 2.863 20 10 FFCDLN CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1c(F)ccc(F)c1O)C2 ZINC001278686641 1039776199 /nfs/dbraw/zinc/77/61/99/1039776199.db2.gz GDEJHQHQHFXHDT-CQSZACIVSA-N 0 2 360.404 2.980 20 10 FFCDLN O=S(=O)(Nc1ccc2ncnc(Cl)c2c1)c1cccc2nonc21 ZINC001260442342 1040594109 /nfs/dbraw/zinc/59/41/09/1040594109.db2.gz YAVUKMHDHIPSKH-UHFFFAOYSA-N 0 2 361.770 2.620 20 10 FFCDLN COc1cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc(OC)c1 ZINC001261066460 1040973558 /nfs/dbraw/zinc/97/35/58/1040973558.db2.gz XUJWRMNRTNDQLY-UHFFFAOYSA-N 0 2 369.786 2.694 20 10 FFCDLN O=C1CCc2cc(NS(=O)(=O)c3ccc(Cl)c4nonc43)ccc21 ZINC001261072975 1040978510 /nfs/dbraw/zinc/97/85/10/1040978510.db2.gz LQFCHSDHERNEOW-UHFFFAOYSA-N 0 2 363.782 2.806 20 10 FFCDLN CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1c(O)cc(F)cc1F)C2 ZINC001278606303 1041396254 /nfs/dbraw/zinc/39/62/54/1041396254.db2.gz URTSBSCEWQNJER-OAHLLOKOSA-N 0 2 360.404 2.980 20 10 FFCDLN O=S(=O)(Nc1ccc(-c2ncon2)cc1)c1cccc2nsnc21 ZINC000192719638 509614014 /nfs/dbraw/zinc/61/40/14/509614014.db2.gz UGUWSHZLICEOOJ-UHFFFAOYSA-N 0 2 359.392 2.542 20 10 FFCDLN C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O ZINC000273446703 511526147 /nfs/dbraw/zinc/52/61/47/511526147.db2.gz NXIYVQLHPNALDG-KSSFIOAISA-N 0 2 371.437 2.718 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)c3ncccc32)ccc1O ZINC000133749490 728727792 /nfs/dbraw/zinc/72/77/92/728727792.db2.gz YSLJJCQISMHBTH-UHFFFAOYSA-N 0 2 363.326 2.789 20 10 FFCDLN Cc1cc(CC(=O)OCc2n[nH]c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000774909784 738039555 /nfs/dbraw/zinc/03/95/55/738039555.db2.gz WNPRPFCSQJNSGL-UHFFFAOYSA-N 0 2 360.801 2.857 20 10 FFCDLN Cc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1F ZINC000743046664 735274316 /nfs/dbraw/zinc/27/43/16/735274316.db2.gz JKLYZMXAILLLQQ-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN Cc1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cnc1Cl ZINC000743049984 735274843 /nfs/dbraw/zinc/27/48/43/735274843.db2.gz MBYRICPUNIXXIP-UHFFFAOYSA-N 0 2 369.859 2.701 20 10 FFCDLN Cn1nc(C2CC2)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000903571383 736115882 /nfs/dbraw/zinc/11/58/82/736115882.db2.gz CXKOQUHHSOUZTE-UHFFFAOYSA-N 0 2 361.452 2.617 20 10 FFCDLN O=S(=O)(Nc1ccc(OCC(F)F)cc1)c1cccc2nonc21 ZINC000765095812 737081836 /nfs/dbraw/zinc/08/18/36/737081836.db2.gz OYGWBZZNLVORLB-UHFFFAOYSA-N 0 2 355.322 2.668 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000766049171 737187012 /nfs/dbraw/zinc/18/70/12/737187012.db2.gz ZXPQYCOMWSNSGC-UHFFFAOYSA-N 0 2 351.428 2.790 20 10 FFCDLN C/C=C/COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785407652 738961858 /nfs/dbraw/zinc/96/18/58/738961858.db2.gz LYKUXYSQDQLKBX-NSCUHMNNSA-N 0 2 353.421 2.987 20 10 FFCDLN Cc1ccc(CN(Cc2n[nH]c(=O)[nH]2)c2ccc3c(c2)OCCO3)s1 ZINC000774684416 738014610 /nfs/dbraw/zinc/01/46/10/738014610.db2.gz WNYSLMVULLCCNQ-UHFFFAOYSA-N 0 2 358.423 2.858 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)CCc2cccc(Cl)c2)ccc1O ZINC000795349060 740008066 /nfs/dbraw/zinc/00/80/66/740008066.db2.gz UIKDWTHDFQXMND-UHFFFAOYSA-N 0 2 356.787 2.938 20 10 FFCDLN Nc1ncc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113941 741187934 /nfs/dbraw/zinc/18/79/34/741187934.db2.gz NLSVSEDJBUALTB-UHFFFAOYSA-N 0 2 352.174 2.616 20 10 FFCDLN CC(C)c1nc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n[nH]1 ZINC000838644883 746683076 /nfs/dbraw/zinc/68/30/76/746683076.db2.gz SVKWJWDACINWCF-UHFFFAOYSA-N 0 2 358.229 2.940 20 10 FFCDLN COc1ccc(N(C)CCN(C)C(=O)c2c(O)cc(F)cc2F)cc1 ZINC000846441623 748480273 /nfs/dbraw/zinc/48/02/73/748480273.db2.gz AYZIQBOBDRPRCQ-UHFFFAOYSA-N 0 2 350.365 2.887 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[NH+]2CCN(CC3CC3)CC2)c1[O-] ZINC000728194807 959388212 /nfs/dbraw/zinc/38/82/12/959388212.db2.gz BIYTVTLGYALOFG-UHFFFAOYSA-N 0 2 366.461 2.856 20 10 FFCDLN COC(=O)c1c2[nH]ncc2ccc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193626135 1004527888 /nfs/dbraw/zinc/52/78/88/1004527888.db2.gz VLHLKKVXNYJYDK-UHFFFAOYSA-N 0 2 361.741 2.666 20 10 FFCDLN CCOCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001187286799 1006002487 /nfs/dbraw/zinc/00/24/87/1006002487.db2.gz NEHBBZVKFNGALY-UHFFFAOYSA-N 0 2 368.842 2.744 20 10 FFCDLN O=c1c2ccc(O)cc2oc(-c2ccc(O)c(O)c2)c1OC[C@H]1C[C@@H](O)C1 ZINC001218432468 1033152442 /nfs/dbraw/zinc/15/24/42/1033152442.db2.gz AIBMRRBQHFMOAS-GSJFWJNXSA-N 0 2 370.357 2.727 20 10 FFCDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000795591928 1027212217 /nfs/dbraw/zinc/21/22/17/1027212217.db2.gz HCMTWFHUBDKVES-CYBMUJFWSA-N 0 2 371.393 2.628 20 10 FFCDLN C[C@@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783313457 1030026690 /nfs/dbraw/zinc/02/66/90/1030026690.db2.gz RUIKLXOCCKVEIY-GFCCVEGCSA-N 0 2 371.372 2.930 20 10 FFCDLN COC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)Cc2nnn(C)c21 ZINC001203575349 1030770921 /nfs/dbraw/zinc/77/09/21/1030770921.db2.gz LEYDPBAXRJOJMK-JTQLQIEISA-N 0 2 357.241 2.573 20 10 FFCDLN Oc1c(F)cccc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001138127409 1033808630 /nfs/dbraw/zinc/80/86/30/1033808630.db2.gz ZYWYJHDAOHUDDF-ZTFGCOKTSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001138127409 1033808638 /nfs/dbraw/zinc/80/86/38/1033808638.db2.gz ZYWYJHDAOHUDDF-ZTFGCOKTSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001138127409 1033808646 /nfs/dbraw/zinc/80/86/46/1033808646.db2.gz ZYWYJHDAOHUDDF-ZTFGCOKTSA-N 0 2 358.413 2.985 20 10 FFCDLN COc1ccc(C(=O)N2CCN(Cc3c(F)ccc(F)c3O)CC2)cc1 ZINC001139687191 1035197902 /nfs/dbraw/zinc/19/79/02/1035197902.db2.gz IVXJQDPKYGKZFT-UHFFFAOYSA-N 0 2 362.376 2.637 20 10 FFCDLN CC[C@@H](O)C(=O)Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227504378 1035588997 /nfs/dbraw/zinc/58/89/97/1035588997.db2.gz JZVBCVHLNPZVGP-LLVKDONJSA-N 0 2 356.330 2.548 20 10 FFCDLN COC[C@H]1Cn2nccc2C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418201 1036611296 /nfs/dbraw/zinc/61/12/96/1036611296.db2.gz XMMHPIDAHWMBLU-GFCCVEGCSA-N 0 2 355.360 2.886 20 10 FFCDLN COC[C@H]1Cn2nccc2C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418201 1036611302 /nfs/dbraw/zinc/61/13/02/1036611302.db2.gz XMMHPIDAHWMBLU-GFCCVEGCSA-N 0 2 355.360 2.886 20 10 FFCDLN O=C([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001231454505 1037594670 /nfs/dbraw/zinc/59/46/70/1037594670.db2.gz YYXXYOPTOOZMQG-INIZCTEOSA-N 0 2 354.397 2.786 20 10 FFCDLN O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001251408971 1039114475 /nfs/dbraw/zinc/11/44/75/1039114475.db2.gz FRVBKWSJZQDSGP-LLVKDONJSA-N 0 2 365.282 2.558 20 10 FFCDLN O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001251408971 1039114485 /nfs/dbraw/zinc/11/44/85/1039114485.db2.gz FRVBKWSJZQDSGP-LLVKDONJSA-N 0 2 365.282 2.558 20 10 FFCDLN CC1(C)COC(c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)=N1 ZINC001260442228 1040592051 /nfs/dbraw/zinc/59/20/51/1040592051.db2.gz ROAVPVWSKAJXOM-UHFFFAOYSA-N 0 2 372.406 2.579 20 10 FFCDLN COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC001249213898 1040628804 /nfs/dbraw/zinc/62/88/04/1040628804.db2.gz BNCYVRWLIGGMMF-UHFFFAOYSA-N 0 2 365.433 2.925 20 10 FFCDLN COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c(O)c1 ZINC001249213898 1040628816 /nfs/dbraw/zinc/62/88/16/1040628816.db2.gz BNCYVRWLIGGMMF-UHFFFAOYSA-N 0 2 365.433 2.925 20 10 FFCDLN C[C@H](O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073920 1040980707 /nfs/dbraw/zinc/98/07/07/1040980707.db2.gz YXGLYZPRIHYIDJ-QMMMGPOBSA-N 0 2 353.787 2.730 20 10 FFCDLN COCCOCN1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)cc(Cl)c1O ZINC001278560768 1041171435 /nfs/dbraw/zinc/17/14/35/1041171435.db2.gz LQDRNOKLGYWCIV-OKILXGFUSA-N 0 2 361.269 2.578 20 10 FFCDLN COC1(CC(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2c(O)cccc2F)CCC1 ZINC001279421425 1043094854 /nfs/dbraw/zinc/09/48/54/1043094854.db2.gz IFEQDDPZVKHXEI-GASCZTMLSA-N 0 2 362.445 2.666 20 10 FFCDLN O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001279697094 1043486726 /nfs/dbraw/zinc/48/67/26/1043486726.db2.gz GLKKFAOIUNNSDP-OKILXGFUSA-N 0 2 364.417 2.760 20 10 FFCDLN CN(C)C(=O)c1n[nH]c2c1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001279976419 1044020481 /nfs/dbraw/zinc/02/04/81/1044020481.db2.gz WCJGZYOARJJQMT-UHFFFAOYSA-N 0 2 355.225 2.640 20 10 FFCDLN O=C(NCc1ccc(O)cc1O)c1cc(Br)c(F)cc1O ZINC001451772460 1059145105 /nfs/dbraw/zinc/14/51/05/1059145105.db2.gz WJTYJEIPAJMZEI-UHFFFAOYSA-N 0 2 356.147 2.635 20 10 FFCDLN O=C(NCc1ccc2cccnc2c1O)C1=NN(c2ccccc2)CC1=O ZINC001469249231 1064116708 /nfs/dbraw/zinc/11/67/08/1064116708.db2.gz MQYGIRBMAVGVNA-UHFFFAOYSA-N 0 2 360.373 2.762 20 10 FFCDLN CO[C@@H]1C[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968279 1076314908 /nfs/dbraw/zinc/31/49/08/1076314908.db2.gz JAHPEERSHYABJT-LSDHHAIUSA-N 0 2 361.392 2.675 20 10 FFCDLN CO[C@@H]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968279 1076314920 /nfs/dbraw/zinc/31/49/20/1076314920.db2.gz JAHPEERSHYABJT-LSDHHAIUSA-N 0 2 361.392 2.675 20 10 FFCDLN CCOc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1OC ZINC000055631830 506806496 /nfs/dbraw/zinc/80/64/96/506806496.db2.gz MZCUGMWKGQZCKB-UHFFFAOYSA-N 0 2 365.436 2.899 20 10 FFCDLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cccc3nsnc32)o1 ZINC000045774310 507016475 /nfs/dbraw/zinc/01/64/75/507016475.db2.gz YVCNXJKIIKDAGY-UHFFFAOYSA-N 0 2 373.419 2.851 20 10 FFCDLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019104035 507156454 /nfs/dbraw/zinc/15/64/54/507156454.db2.gz UKHKXOHDTYJUKL-UHFFFAOYSA-N 0 2 374.447 2.619 20 10 FFCDLN COc1ccc(N2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000375614768 512422778 /nfs/dbraw/zinc/42/27/78/512422778.db2.gz ZGBSUWFWNQHVNZ-UHFFFAOYSA-N 0 2 371.393 2.662 20 10 FFCDLN COc1ccc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000184682158 510459356 /nfs/dbraw/zinc/45/93/56/510459356.db2.gz GYBLNLKEHXHKRQ-UHFFFAOYSA-N 0 2 371.393 2.662 20 10 FFCDLN Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000191753995 510814723 /nfs/dbraw/zinc/81/47/23/510814723.db2.gz SVCFEXBLHGBASF-AWEZNQCLSA-N 0 2 368.846 2.977 20 10 FFCDLN Cn1cc([C@@H]2CSCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000191753995 510814729 /nfs/dbraw/zinc/81/47/29/510814729.db2.gz SVCFEXBLHGBASF-AWEZNQCLSA-N 0 2 368.846 2.977 20 10 FFCDLN COc1c(O)c(CNc2cccc(N3CCC[NH+]=C3[O-])c2)ccc1[N+](=O)[O-] ZINC000278829299 511008597 /nfs/dbraw/zinc/00/85/97/511008597.db2.gz IOOLAWKSWKDXMQ-UHFFFAOYSA-N 0 2 372.381 2.841 20 10 FFCDLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c(OC)c1 ZINC000274972972 512002036 /nfs/dbraw/zinc/00/20/36/512002036.db2.gz DKEJCVCWVLILAS-UHFFFAOYSA-N 0 2 353.396 2.527 20 10 FFCDLN C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000828302809 602315828 /nfs/dbraw/zinc/31/58/28/602315828.db2.gz IZEAXDWZNFQTPM-AAYCNEPYSA-N 0 2 356.382 2.977 20 10 FFCDLN C[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000828302814 602315949 /nfs/dbraw/zinc/31/59/49/602315949.db2.gz IZEAXDWZNFQTPM-VRKKOEGRSA-N 0 2 356.382 2.977 20 10 FFCDLN O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)c(O)c(Cl)c3)ccc2N1 ZINC000120436111 728611378 /nfs/dbraw/zinc/61/13/78/728611378.db2.gz YCQCQPKDFHGKPE-UHFFFAOYSA-N 0 2 373.217 2.994 20 10 FFCDLN O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000904235670 736236844 /nfs/dbraw/zinc/23/68/44/736236844.db2.gz SQFGMWVMYRYTLL-RYUDHWBXSA-N 0 2 355.232 2.823 20 10 FFCDLN O=C(OCC1CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785408021 738961903 /nfs/dbraw/zinc/96/19/03/738961903.db2.gz OPBNWCCUUGGZEW-UHFFFAOYSA-N 0 2 353.421 2.821 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000769846435 737572786 /nfs/dbraw/zinc/57/27/86/737572786.db2.gz NVEKLIQSEFRAMN-UHFFFAOYSA-N 0 2 360.464 2.926 20 10 FFCDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)s1 ZINC000776748071 738228977 /nfs/dbraw/zinc/22/89/77/738228977.db2.gz VHWFGIRJCUEXHO-SNVBAGLBSA-N 0 2 354.453 2.760 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cnn1-c1ccccn1 ZINC000776751932 738229773 /nfs/dbraw/zinc/22/97/73/738229773.db2.gz ZEGKQGGFWZPUAS-UHFFFAOYSA-N 0 2 364.814 2.736 20 10 FFCDLN CCC[N@H+](CC(=O)OC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196739 959392996 /nfs/dbraw/zinc/39/29/96/959392996.db2.gz ULTLBCJDNQJLGN-UHFFFAOYSA-N 0 2 357.406 2.714 20 10 FFCDLN CCC[N@@H+](CC(=O)OC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196739 959393012 /nfs/dbraw/zinc/39/30/12/959393012.db2.gz ULTLBCJDNQJLGN-UHFFFAOYSA-N 0 2 357.406 2.714 20 10 FFCDLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc(N(C)C)cc3)=N2)cc1 ZINC000176972332 968526783 /nfs/dbraw/zinc/52/67/83/968526783.db2.gz MNXUZAVXRIUJEM-UHFFFAOYSA-N 0 2 366.421 2.583 20 10 FFCDLN COc1ccc(O)c([C@@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)c1 ZINC000173131620 985760054 /nfs/dbraw/zinc/76/00/54/985760054.db2.gz NCNKAFQSIZXVEX-GFCCVEGCSA-N 0 2 353.378 2.783 20 10 FFCDLN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(O)cc(F)cc1F ZINC000127357354 1015230253 /nfs/dbraw/zinc/23/02/53/1015230253.db2.gz UQORIKAUZHYSBJ-UHFFFAOYSA-N 0 2 362.376 2.779 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000786940023 1001651019 /nfs/dbraw/zinc/65/10/19/1001651019.db2.gz PSBCXBSJFWCMDF-CYBMUJFWSA-N 0 2 352.394 2.610 20 10 FFCDLN C[C@]1(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)CCOC1 ZINC001184393971 1002586827 /nfs/dbraw/zinc/58/68/27/1002586827.db2.gz VSYPNYUYDUWPAP-FQEVSTJZSA-N 0 2 351.358 2.533 20 10 FFCDLN Cc1ccc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)[nH]c1=O ZINC001199265084 1004889748 /nfs/dbraw/zinc/88/97/48/1004889748.db2.gz PAHXOZXCGMTDEF-UHFFFAOYSA-N 0 2 374.352 2.829 20 10 FFCDLN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000819579197 1008179703 /nfs/dbraw/zinc/17/97/03/1008179703.db2.gz AQWIGWZXNMHBAR-UHFFFAOYSA-N 0 2 371.466 2.999 20 10 FFCDLN CCCCN1CC2(CN(Cc3cc(Cl)cc(Cl)c3O)C2)OCC1=O ZINC001275235926 1012119580 /nfs/dbraw/zinc/11/95/80/1012119580.db2.gz GWVLLTOQLFUYMH-UHFFFAOYSA-N 0 2 373.280 2.912 20 10 FFCDLN CC[C@@H](C)N1CC2(CN(Cc3cc(Cl)cc(Cl)c3O)C2)OCC1=O ZINC001275237159 1012124080 /nfs/dbraw/zinc/12/40/80/1012124080.db2.gz VFZUTARDMPPHTB-LLVKDONJSA-N 0 2 373.280 2.911 20 10 FFCDLN CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2C1 ZINC000778662867 1022204246 /nfs/dbraw/zinc/20/42/46/1022204246.db2.gz VKAZFUQKALUMNC-UHFFFAOYSA-N 0 2 372.450 2.995 20 10 FFCDLN CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cccc4nonc43)c2C1 ZINC000778662867 1022204256 /nfs/dbraw/zinc/20/42/56/1022204256.db2.gz VKAZFUQKALUMNC-UHFFFAOYSA-N 0 2 372.450 2.995 20 10 FFCDLN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(F)c(O)c(F)c1 ZINC001162540369 1028575637 /nfs/dbraw/zinc/57/56/37/1028575637.db2.gz WLLAICGWEVLCNC-UHFFFAOYSA-N 0 2 365.332 2.582 20 10 FFCDLN Cc1ccccc1CC(=O)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001204171885 1031145285 /nfs/dbraw/zinc/14/52/85/1031145285.db2.gz UDPRHCKDUZCPFB-UHFFFAOYSA-N 0 2 360.404 2.866 20 10 FFCDLN CC(C)C(=O)N1CCC[C@]2(CN(Cc3c(F)ccc(F)c3O)CCO2)C1 ZINC001139682785 1035197305 /nfs/dbraw/zinc/19/73/05/1035197305.db2.gz CDBQTIFBMFBDFJ-IBGZPJMESA-N 0 2 368.424 2.520 20 10 FFCDLN CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(F)ccc(F)c1[O-])CCO2 ZINC001139682785 1035197309 /nfs/dbraw/zinc/19/73/09/1035197309.db2.gz CDBQTIFBMFBDFJ-IBGZPJMESA-N 0 2 368.424 2.520 20 10 FFCDLN CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1c(F)ccc(F)c1[O-])CCO2 ZINC001139682785 1035197313 /nfs/dbraw/zinc/19/73/13/1035197313.db2.gz CDBQTIFBMFBDFJ-IBGZPJMESA-N 0 2 368.424 2.520 20 10 FFCDLN CC(C)CN1C[C@@]2(CCN(Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278025665 1038344744 /nfs/dbraw/zinc/34/47/44/1038344744.db2.gz WNTWAJBBFVFDKB-SFHVURJKSA-N 0 2 370.852 2.644 20 10 FFCDLN O=[S@]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Br)c1O ZINC001262111717 1041565351 /nfs/dbraw/zinc/56/53/51/1041565351.db2.gz NPPXCBOQSPBFAM-RAALSFIWSA-N 0 2 350.665 2.513 20 10 FFCDLN CN(C)C(=O)c1cn2c(n1)CN(Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC001279976012 1044019710 /nfs/dbraw/zinc/01/97/10/1044019710.db2.gz KXLHNALMXMYUFA-UHFFFAOYSA-N 0 2 369.252 2.613 20 10 FFCDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2ncccc12 ZINC000766355648 1061695296 /nfs/dbraw/zinc/69/52/96/1061695296.db2.gz NQOOWQAGKRMTSU-UHFFFAOYSA-N 0 2 373.346 2.673 20 10 FFCDLN Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001560929111 1076311084 /nfs/dbraw/zinc/31/10/84/1076311084.db2.gz NBVDWYNAXNNETB-AZUAARDMSA-N 0 2 360.404 2.756 20 10 FFCDLN Oc1cc(F)c(F)cc1C[N@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001560929111 1076311092 /nfs/dbraw/zinc/31/10/92/1076311092.db2.gz NBVDWYNAXNNETB-AZUAARDMSA-N 0 2 360.404 2.756 20 10 FFCDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cn1 ZINC000066247540 506457289 /nfs/dbraw/zinc/45/72/89/506457289.db2.gz IGFBRPXNFZMQGM-UHFFFAOYSA-N 0 2 362.436 2.720 20 10 FFCDLN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000192733096 509619181 /nfs/dbraw/zinc/61/91/81/509619181.db2.gz MKNUKKPTIWWCQS-UHFFFAOYSA-N 0 2 371.447 2.986 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](F)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000277583348 510965622 /nfs/dbraw/zinc/96/56/22/510965622.db2.gz YYUCYUHWMXYQKI-ISTVAULSSA-N 0 2 366.330 2.956 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)C(F)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000277583348 510965643 /nfs/dbraw/zinc/96/56/43/510965643.db2.gz YYUCYUHWMXYQKI-ISTVAULSSA-N 0 2 366.330 2.956 20 10 FFCDLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cccc3nsnc32)n1 ZINC000531582600 516540338 /nfs/dbraw/zinc/54/03/38/516540338.db2.gz ZYDNYYNUVHGYHC-UHFFFAOYSA-N 0 2 371.447 2.986 20 10 FFCDLN Cc1ccc2[nH+]cc(/C=C3/CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)n2c1 ZINC000533254939 517367500 /nfs/dbraw/zinc/36/75/00/517367500.db2.gz IZETYIFSWORVPH-JYRVWZFOSA-N 0 2 372.384 2.995 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859827 601595384 /nfs/dbraw/zinc/59/53/84/601595384.db2.gz YRNDHPOEDDMQBR-QGZVFWFLSA-N 0 2 356.422 2.696 20 10 FFCDLN Cc1cc(C(=O)C[N@H+](C)[C@@H]2CCOC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859827 601595387 /nfs/dbraw/zinc/59/53/87/601595387.db2.gz YRNDHPOEDDMQBR-QGZVFWFLSA-N 0 2 356.422 2.696 20 10 FFCDLN Cc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000833752451 604898375 /nfs/dbraw/zinc/89/83/75/604898375.db2.gz UOCVREHPMQTOHH-SFHVURJKSA-N 0 2 366.421 2.551 20 10 FFCDLN Cc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000833752451 604898379 /nfs/dbraw/zinc/89/83/79/604898379.db2.gz UOCVREHPMQTOHH-SFHVURJKSA-N 0 2 366.421 2.551 20 10 FFCDLN [O-]c1c(Cl)cccc1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510879 608590426 /nfs/dbraw/zinc/59/04/26/608590426.db2.gz PGAFFEJGBJZBFR-INIZCTEOSA-N 0 2 371.828 2.799 20 10 FFCDLN [O-]c1c(Cl)cccc1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826510879 608590429 /nfs/dbraw/zinc/59/04/29/608590429.db2.gz PGAFFEJGBJZBFR-INIZCTEOSA-N 0 2 371.828 2.799 20 10 FFCDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000070828498 728205863 /nfs/dbraw/zinc/20/58/63/728205863.db2.gz UEALODLRUQXACV-UHFFFAOYSA-N 0 2 362.392 2.914 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000779460257 738466292 /nfs/dbraw/zinc/46/62/92/738466292.db2.gz MLNUPZPMPBCRQZ-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cnc2n1CCC2 ZINC000783594870 738817945 /nfs/dbraw/zinc/81/79/45/738817945.db2.gz IMRZCCDIGQHIPT-UHFFFAOYSA-N 0 2 364.427 2.893 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(OC)c1OC ZINC000901917470 735868321 /nfs/dbraw/zinc/86/83/21/735868321.db2.gz SMESLHUILWQPJD-UHFFFAOYSA-N 0 2 353.396 2.609 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000775287075 738078446 /nfs/dbraw/zinc/07/84/46/738078446.db2.gz IVDWCTSFHHJJHD-UHFFFAOYSA-N 0 2 364.404 2.589 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000792703342 739695839 /nfs/dbraw/zinc/69/58/39/739695839.db2.gz VFSQVWXSOALQSP-UHFFFAOYSA-N 0 2 351.409 2.760 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](CCO)Cc2cccnc2Cl)c1[O-] ZINC000793364358 739773985 /nfs/dbraw/zinc/77/39/85/739773985.db2.gz PKVZCNMIJFUYOZ-UHFFFAOYSA-N 0 2 372.208 2.997 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+](CCO)Cc2cccnc2Cl)c1[O-] ZINC000793364358 739773988 /nfs/dbraw/zinc/77/39/88/739773988.db2.gz PKVZCNMIJFUYOZ-UHFFFAOYSA-N 0 2 372.208 2.997 20 10 FFCDLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115293 741188371 /nfs/dbraw/zinc/18/83/71/741188371.db2.gz WKWFKKKOGWBLTK-UHFFFAOYSA-N 0 2 365.791 2.834 20 10 FFCDLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000161187073 966322421 /nfs/dbraw/zinc/32/24/21/966322421.db2.gz PCTMUROLVDYRCC-UHFFFAOYSA-N 0 2 374.422 2.506 20 10 FFCDLN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cccc2nonc21 ZINC000765035203 984934665 /nfs/dbraw/zinc/93/46/65/984934665.db2.gz BRJSEYTYGJRERF-UHFFFAOYSA-N 0 2 369.362 2.606 20 10 FFCDLN C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593312567 994802549 /nfs/dbraw/zinc/80/25/49/994802549.db2.gz XCXUHRMSJFYDSK-GFCCVEGCSA-N 0 2 368.393 2.638 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1c[nH]nc1Cl ZINC001194951611 1004852743 /nfs/dbraw/zinc/85/27/43/1004852743.db2.gz BIGUSZPBRUDYFF-UHFFFAOYSA-N 0 2 367.748 2.796 20 10 FFCDLN C[NH+]1CCN(c2ccc(CN3CC[NH+](Cc4ccsc4)CC3)cc2)CC1 ZINC000775645780 1004911978 /nfs/dbraw/zinc/91/19/78/1004911978.db2.gz ABTUURHPYXUJPJ-UHFFFAOYSA-N 0 2 370.566 2.818 20 10 FFCDLN Cc1cncnc1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001195363409 1004948101 /nfs/dbraw/zinc/94/81/01/1004948101.db2.gz VEOYBHGPLGRTEP-UHFFFAOYSA-N 0 2 359.341 2.518 20 10 FFCDLN O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)c3ccoc3)cccc21 ZINC001188569231 1006612484 /nfs/dbraw/zinc/61/24/84/1006612484.db2.gz DAZMBDPMTMUKTK-UHFFFAOYSA-N 0 2 353.355 2.856 20 10 FFCDLN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000819587475 1008185088 /nfs/dbraw/zinc/18/50/88/1008185088.db2.gz ZMZYNGNDQPJYMU-ZDUSSCGKSA-N 0 2 371.393 2.565 20 10 FFCDLN C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000827786319 1018663689 /nfs/dbraw/zinc/66/36/89/1018663689.db2.gz ISUSUIIAXZBZCT-YJBOKZPZSA-N 0 2 371.447 2.980 20 10 FFCDLN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000795330261 1025523257 /nfs/dbraw/zinc/52/32/57/1025523257.db2.gz YJUQGMFCLBZQRD-UHFFFAOYSA-N 0 2 373.434 2.784 20 10 FFCDLN C[C@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783313458 1030026780 /nfs/dbraw/zinc/02/67/80/1030026780.db2.gz RUIKLXOCCKVEIY-LBPRGKRZSA-N 0 2 371.372 2.930 20 10 FFCDLN CCOC(=O)CC(C)(C)CC(=O)C(O)=Cc1ccc(F)cc1[N+](=O)[O-] ZINC001140198588 1035376832 /nfs/dbraw/zinc/37/68/32/1035376832.db2.gz KDACZLVXCXCPHV-UHFFFAOYSA-N 0 2 353.346 2.784 20 10 FFCDLN COc1cccc(C(=O)N2CCN(Cc3c(O)cc(F)cc3F)CC2)c1 ZINC001140585584 1035670223 /nfs/dbraw/zinc/67/02/23/1035670223.db2.gz OXDAZHZXAFJQGK-UHFFFAOYSA-N 0 2 362.376 2.637 20 10 FFCDLN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236793767 1038275161 /nfs/dbraw/zinc/27/51/61/1038275161.db2.gz PUYKCWDOTCWXPQ-BMFZPTHFSA-N 0 2 373.280 2.955 20 10 FFCDLN O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)c3cccnc3)cccc21 ZINC001259601576 1040103962 /nfs/dbraw/zinc/10/39/62/1040103962.db2.gz AYNVVUYHPYQLOK-UHFFFAOYSA-N 0 2 364.382 2.658 20 10 FFCDLN Cc1cc(NS(=O)(=O)c2cccc3nsnc32)cc2snnc21 ZINC001260388746 1040571021 /nfs/dbraw/zinc/57/10/21/1040571021.db2.gz XDHHNULMOINEHV-UHFFFAOYSA-N 0 2 363.449 2.805 20 10 FFCDLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261070959 1040974685 /nfs/dbraw/zinc/97/46/85/1040974685.db2.gz FIBDXIWMZBUBHL-UHFFFAOYSA-N 0 2 366.786 2.635 20 10 FFCDLN COCc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261073180 1040976949 /nfs/dbraw/zinc/97/69/49/1040976949.db2.gz PZTPSFZCMSMRPP-UHFFFAOYSA-N 0 2 353.787 2.823 20 10 FFCDLN CC(=O)C1CC[NH+](Cc2cccc(I)c2[O-])CC1 ZINC001237781186 1043354116 /nfs/dbraw/zinc/35/41/16/1043354116.db2.gz TVIQYFFEKWRCMV-UHFFFAOYSA-N 0 2 359.207 2.798 20 10 FFCDLN CC(C)(C)NC(=O)c1noc2c1CN(Cc1c(F)ccc(F)c1O)CC2 ZINC001279735550 1043556192 /nfs/dbraw/zinc/55/61/92/1043556192.db2.gz BJOPQDCLZPEERH-UHFFFAOYSA-N 0 2 365.380 2.745 20 10 FFCDLN O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2O)Nc2ccc(Br)cc21 ZINC001317889642 1045162699 /nfs/dbraw/zinc/16/26/99/1045162699.db2.gz MWJSIKQVTJFBIN-ZDUSSCGKSA-N 0 2 364.155 2.917 20 10 FFCDLN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cc(Cl)cc(Br)c1O ZINC001308844391 1052506636 /nfs/dbraw/zinc/50/66/36/1052506636.db2.gz KQTPGOOQIVNFSL-XHNCKOQMSA-N 0 2 361.667 2.905 20 10 FFCDLN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccsc1-c1nn[nH]n1 ZINC001582544799 1079060919 /nfs/dbraw/zinc/06/09/19/1079060919.db2.gz LPSPHDGADOLROI-UHFFFAOYSA-N 0 2 370.221 2.871 20 10 FFCDLN O=S(=O)(Nc1ccccc1-c1cn[nH]c1)c1cccc2nsnc21 ZINC000527369459 517662806 /nfs/dbraw/zinc/66/28/06/517662806.db2.gz ZLSWZPKRIRQPTQ-UHFFFAOYSA-N 0 2 357.420 2.882 20 10 FFCDLN CCOc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)nc1 ZINC000830075025 601825541 /nfs/dbraw/zinc/82/55/41/601825541.db2.gz GVHGDBBZKZQSJY-UHFFFAOYSA-N 0 2 350.802 2.926 20 10 FFCDLN CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)nc1 ZINC000830075025 601825543 /nfs/dbraw/zinc/82/55/43/601825543.db2.gz GVHGDBBZKZQSJY-UHFFFAOYSA-N 0 2 350.802 2.926 20 10 FFCDLN Cc1cc(NS(=O)(=O)c2cnn(C)c2C(F)(F)F)c(C)c(C)c1O ZINC000872363680 731756490 /nfs/dbraw/zinc/75/64/90/731756490.db2.gz MGXICXCMAXIVQG-UHFFFAOYSA-N 0 2 363.361 2.871 20 10 FFCDLN COC(=O)C[C@H]1CSCCN1Cc1cc(C)cc(Br)c1O ZINC000781913396 738672174 /nfs/dbraw/zinc/67/21/74/738672174.db2.gz TYDYQKINHZCVRT-LBPRGKRZSA-N 0 2 374.300 2.944 20 10 FFCDLN COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781913396 738672178 /nfs/dbraw/zinc/67/21/78/738672178.db2.gz TYDYQKINHZCVRT-LBPRGKRZSA-N 0 2 374.300 2.944 20 10 FFCDLN COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781913396 738672181 /nfs/dbraw/zinc/67/21/81/738672181.db2.gz TYDYQKINHZCVRT-LBPRGKRZSA-N 0 2 374.300 2.944 20 10 FFCDLN O=S(=O)(Nc1nc2c(s1)CCc1ccccc1-2)c1cnc2n1CCC2 ZINC000783594851 738817810 /nfs/dbraw/zinc/81/78/10/738817810.db2.gz HRHKDSHCRQYBSW-UHFFFAOYSA-N 0 2 372.475 2.852 20 10 FFCDLN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000762001995 736781604 /nfs/dbraw/zinc/78/16/04/736781604.db2.gz YYCOSNOBKBKRMM-UHFFFAOYSA-N 0 2 365.407 2.751 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000773251647 737885328 /nfs/dbraw/zinc/88/53/28/737885328.db2.gz NMIKFNNQBWOHHA-UHFFFAOYSA-N 0 2 369.370 2.517 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cccc2c1OCCO2 ZINC000808114493 741188085 /nfs/dbraw/zinc/18/80/85/741188085.db2.gz ATTPKZXJYFRVNR-UHFFFAOYSA-N 0 2 359.762 2.757 20 10 FFCDLN C[N@H+](CCC(=O)[O-])Cc1cc(Br)cc(Br)c1O ZINC000840997495 747252877 /nfs/dbraw/zinc/25/28/77/747252877.db2.gz QDEFWFZALRJOQC-UHFFFAOYSA-N 0 2 367.037 2.824 20 10 FFCDLN C[N@@H+](CCC(=O)[O-])Cc1cc(Br)cc(Br)c1O ZINC000840997495 747252879 /nfs/dbraw/zinc/25/28/79/747252879.db2.gz QDEFWFZALRJOQC-UHFFFAOYSA-N 0 2 367.037 2.824 20 10 FFCDLN COc1ccc(N(C)CCN(C)C(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000846442770 748480002 /nfs/dbraw/zinc/48/00/02/748480002.db2.gz WXBPFTGVNMGXHG-UHFFFAOYSA-N 0 2 350.365 2.887 20 10 FFCDLN CC(C)([NH2+]Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC001590870329 990771503 /nfs/dbraw/zinc/77/15/03/990771503.db2.gz ACTDZTWLLYMBOT-UHFFFAOYSA-N 0 2 367.037 2.870 20 10 FFCDLN Cc1ncnc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1C ZINC001147065012 1000821576 /nfs/dbraw/zinc/82/15/76/1000821576.db2.gz BGVDOOXGRUJCLO-UHFFFAOYSA-N 0 2 373.368 2.827 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875493 1008233550 /nfs/dbraw/zinc/23/35/50/1008233550.db2.gz QHLVJUPNRQAGGL-XIKOKIGWSA-N 0 2 354.406 2.543 20 10 FFCDLN COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875493 1008233553 /nfs/dbraw/zinc/23/35/53/1008233553.db2.gz QHLVJUPNRQAGGL-XIKOKIGWSA-N 0 2 354.406 2.543 20 10 FFCDLN CNC(=O)CCOc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000757594115 1023833608 /nfs/dbraw/zinc/83/36/08/1023833608.db2.gz OUEMNUUMYQUTQP-GFCCVEGCSA-N 0 2 359.382 2.988 20 10 FFCDLN Oc1cc(F)c(F)cc1CN1C[C@@H]2C[N@@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001142517470 1030566616 /nfs/dbraw/zinc/56/66/16/1030566616.db2.gz OPBZMGMXXMTFAV-IFXJQAMLSA-N 0 2 364.392 2.596 20 10 FFCDLN O=C(c1ccc(F)cc1F)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001204543669 1031344967 /nfs/dbraw/zinc/34/49/67/1031344967.db2.gz UKMPTBJOPRFHNG-UHFFFAOYSA-N 0 2 368.330 2.907 20 10 FFCDLN Oc1c(F)ccc(F)c1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001139681482 1035196713 /nfs/dbraw/zinc/19/67/13/1035196713.db2.gz RZXHVVUFKUBLKC-JENIJYKNSA-N 0 2 362.376 2.876 20 10 FFCDLN CCN1CC(Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)C1 ZINC001227504696 1035588940 /nfs/dbraw/zinc/58/89/40/1035588940.db2.gz KVCWAAMAOFNIDD-UHFFFAOYSA-N 0 2 353.374 2.954 20 10 FFCDLN O=C1CC[C@@H](COc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)O1 ZINC001227507322 1035588956 /nfs/dbraw/zinc/58/89/56/1035588956.db2.gz WRAXCKRABIGFBY-LBPRGKRZSA-N 0 2 368.341 2.956 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+](CC(=O)[O-])C(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000836690954 1036758824 /nfs/dbraw/zinc/75/88/24/1036758824.db2.gz IAVCXALUIAVDCB-UHFFFAOYSA-N 0 2 372.421 2.801 20 10 FFCDLN Cc1cc(C(=O)C[N@H+](CC(=O)[O-])C(C)C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000836690954 1036758839 /nfs/dbraw/zinc/75/88/39/1036758839.db2.gz IAVCXALUIAVDCB-UHFFFAOYSA-N 0 2 372.421 2.801 20 10 FFCDLN CC1(C)c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2NC1=O ZINC001260388007 1040570894 /nfs/dbraw/zinc/57/08/94/1040570894.db2.gz KQGLUDVHYYYJLA-UHFFFAOYSA-N 0 2 374.447 2.722 20 10 FFCDLN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ccc(Cl)c2nonc21 ZINC001261072938 1040979423 /nfs/dbraw/zinc/97/94/23/1040979423.db2.gz IYBODJACMFLTBE-UHFFFAOYSA-N 0 2 361.713 2.661 20 10 FFCDLN COCc1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261073259 1040980939 /nfs/dbraw/zinc/98/09/39/1040980939.db2.gz UUURQWOMCPGAEO-UHFFFAOYSA-N 0 2 353.787 2.823 20 10 FFCDLN Oc1c(F)cc(F)cc1CN1CCN(c2ncnc3sccc32)CC1 ZINC001560727617 1076294431 /nfs/dbraw/zinc/29/44/31/1076294431.db2.gz OIZUIJXUTGYKJP-UHFFFAOYSA-N 0 2 362.405 2.997 20 10 FFCDLN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000378074675 512576947 /nfs/dbraw/zinc/57/69/47/512576947.db2.gz UYYRPTLXMSQLNT-SNVBAGLBSA-N 0 2 355.225 2.779 20 10 FFCDLN CCN(CC)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267028454 509314336 /nfs/dbraw/zinc/31/43/36/509314336.db2.gz DHUBHQXEVKNUHU-UHFFFAOYSA-N 0 2 354.453 2.737 20 10 FFCDLN C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@@H]1C ZINC000293875859 510883502 /nfs/dbraw/zinc/88/35/02/510883502.db2.gz AZCFWAKLSKVAEZ-GHMZBOCLSA-N 0 2 366.464 2.735 20 10 FFCDLN COc1c(O)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000375690803 512457522 /nfs/dbraw/zinc/45/75/22/512457522.db2.gz IGCQHFHOPNASIT-INIZCTEOSA-N 0 2 371.437 2.921 20 10 FFCDLN Cc1ccc2[nH+]c(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)cn2c1 ZINC000559938353 517495985 /nfs/dbraw/zinc/49/59/85/517495985.db2.gz BUHSENUJEJGBLO-MDWZMJQESA-N 0 2 372.384 2.995 20 10 FFCDLN O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1cccc2nsnc21 ZINC000192833140 729460567 /nfs/dbraw/zinc/46/05/67/729460567.db2.gz IPZHDOBUUNFCLW-UHFFFAOYSA-N 0 2 357.420 2.678 20 10 FFCDLN COc1ccc(OC)c2c1CN(Cc1ccc(F)c(F)c1O)C[C@H]2O ZINC000876550595 732255947 /nfs/dbraw/zinc/25/59/47/732255947.db2.gz HZZKUCXDJZQQDH-CYBMUJFWSA-N 0 2 351.349 2.737 20 10 FFCDLN Cc1cc(Br)c(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000781907900 738670876 /nfs/dbraw/zinc/67/08/76/738670876.db2.gz HFWSMUBGSVIIKZ-LBPRGKRZSA-N 0 2 354.166 2.962 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000781907900 738670877 /nfs/dbraw/zinc/67/08/77/738670877.db2.gz HFWSMUBGSVIIKZ-LBPRGKRZSA-N 0 2 354.166 2.962 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000781907900 738670880 /nfs/dbraw/zinc/67/08/80/738670880.db2.gz HFWSMUBGSVIIKZ-LBPRGKRZSA-N 0 2 354.166 2.962 20 10 FFCDLN Cn1nccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000727245570 734473742 /nfs/dbraw/zinc/47/37/42/734473742.db2.gz DNRJESFAOOHPAA-UHFFFAOYSA-N 0 2 360.464 2.833 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc(F)c3F)n2)cn1 ZINC000743049619 735274760 /nfs/dbraw/zinc/27/47/60/735274760.db2.gz KHLAXHBGVCHDHY-UHFFFAOYSA-N 0 2 356.379 2.623 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342137 736077757 /nfs/dbraw/zinc/07/77/57/736077757.db2.gz XGZBCWAVZLBOKX-VIFPVBQESA-N 0 2 357.332 2.782 20 10 FFCDLN COC(=O)c1ccc(O)c([C@H](C)NCc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342137 736077759 /nfs/dbraw/zinc/07/77/59/736077759.db2.gz XGZBCWAVZLBOKX-VIFPVBQESA-N 0 2 357.332 2.782 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000766048761 737187117 /nfs/dbraw/zinc/18/71/17/737187117.db2.gz UYKCJRKTRGXEFT-UHFFFAOYSA-N 0 2 370.770 2.957 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000769847083 737573454 /nfs/dbraw/zinc/57/34/54/737573454.db2.gz JHZKKWVEXLXYOQ-UHFFFAOYSA-N 0 2 364.452 2.836 20 10 FFCDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000916090572 737677468 /nfs/dbraw/zinc/67/74/68/737677468.db2.gz DKZLHLHSWYPKQG-UHFFFAOYSA-N 0 2 362.392 2.914 20 10 FFCDLN Cc1cc(C(=O)NCCc2n[nH]c(=S)o2)c(C)n1-c1ccc(F)cc1 ZINC000776538424 738204385 /nfs/dbraw/zinc/20/43/85/738204385.db2.gz JAFWJXZWGCZDFI-UHFFFAOYSA-N 0 2 360.414 2.877 20 10 FFCDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000792703043 739696034 /nfs/dbraw/zinc/69/60/34/739696034.db2.gz PFPVELZHQIWWPW-UHFFFAOYSA-N 0 2 355.437 2.932 20 10 FFCDLN COC(=O)c1csc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808115692 741188471 /nfs/dbraw/zinc/18/84/71/741188471.db2.gz OKCAMTYPJQFNRE-UHFFFAOYSA-N 0 2 365.791 2.834 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F ZINC000014256036 845027471 /nfs/dbraw/zinc/02/74/71/845027471.db2.gz WKJUAGZRAWFFNO-UHFFFAOYSA-N 0 2 354.344 2.539 20 10 FFCDLN O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(F)c(F)cc2O)[nH]1 ZINC001279109298 970063964 /nfs/dbraw/zinc/06/39/64/970063964.db2.gz ZYGWKLQKBVDVBN-GASCZTMLSA-N 0 2 361.392 2.620 20 10 FFCDLN C[NH+]1CCN(c2ccc(C[NH+]3CC(O)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000811509585 995171032 /nfs/dbraw/zinc/17/10/32/995171032.db2.gz WJGBBBRWFAQBJW-UHFFFAOYSA-N 0 2 371.912 2.795 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cccc(=O)[nH]1 ZINC001147301744 1000865946 /nfs/dbraw/zinc/86/59/46/1000865946.db2.gz ACBSVOYIUVXIAX-UHFFFAOYSA-N 0 2 360.325 2.521 20 10 FFCDLN CC(=O)C[C@@H](C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001181256331 1010062500 /nfs/dbraw/zinc/06/25/00/1010062500.db2.gz MGPZPQHBKXAJJT-SNVBAGLBSA-N 0 2 351.358 2.721 20 10 FFCDLN O=C(c1ccc(F)cc1)N1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139684534 1031970896 /nfs/dbraw/zinc/97/08/96/1031970896.db2.gz YFBQLWYXRHWDOG-UHFFFAOYSA-N 0 2 350.340 2.768 20 10 FFCDLN CC(=O)[C@H](C)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001227461812 1035563983 /nfs/dbraw/zinc/56/39/83/1035563983.db2.gz XZCZDVFTCBOPBD-VIFPVBQESA-N 0 2 372.329 2.639 20 10 FFCDLN O=C1C[C@H](Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CO1 ZINC001227504386 1035589333 /nfs/dbraw/zinc/58/93/33/1035589333.db2.gz KHTZQGRWHDENNC-NSHDSACASA-N 0 2 354.314 2.566 20 10 FFCDLN O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001233078098 1036327211 /nfs/dbraw/zinc/32/72/11/1036327211.db2.gz FJHBBOUGEXNEHS-AWEZNQCLSA-N 0 2 353.390 2.719 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2CC3(C2)CCCCO3)c1 ZINC001233306232 1036511974 /nfs/dbraw/zinc/51/19/74/1036511974.db2.gz KBCUAHJMVUKWLZ-UHFFFAOYSA-N 0 2 370.243 2.696 20 10 FFCDLN CO[C@H](C)COc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229698753 1036837114 /nfs/dbraw/zinc/83/71/14/1036837114.db2.gz HHIAGUKMFNTTSH-SNVBAGLBSA-N 0 2 358.346 2.991 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2cccc3nonc32)c2ccncc12 ZINC001260442245 1040592398 /nfs/dbraw/zinc/59/23/98/1040592398.db2.gz SLFFFSOGZBURQI-UHFFFAOYSA-N 0 2 356.363 2.580 20 10 FFCDLN Cn1cnc2cc(NS(=O)(=O)c3ccc(Cl)c4nonc43)ccc21 ZINC001261073220 1040982136 /nfs/dbraw/zinc/98/21/36/1040982136.db2.gz SBJANJDEMUPOED-UHFFFAOYSA-N 0 2 363.786 2.564 20 10 FFCDLN O=S(=O)(Nc1ccc2c(c1)OCC2)c1ccc(Cl)c2nonc21 ZINC001261073190 1040982650 /nfs/dbraw/zinc/98/26/50/1040982650.db2.gz QRKXXLRQUSWWAN-UHFFFAOYSA-N 0 2 351.771 2.612 20 10 FFCDLN CO[C@H]1C[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968276 1076314523 /nfs/dbraw/zinc/31/45/23/1076314523.db2.gz JAHPEERSHYABJT-CABCVRRESA-N 0 2 361.392 2.675 20 10 FFCDLN CO[C@H]1C[C@@H]2CN(Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968276 1076314534 /nfs/dbraw/zinc/31/45/34/1076314534.db2.gz JAHPEERSHYABJT-CABCVRRESA-N 0 2 361.392 2.675 20 10 FFCDLN O=C(c1cccc(O)c1O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000369077836 512217695 /nfs/dbraw/zinc/21/76/95/512217695.db2.gz NGQTTYYAMZTUTN-AWEZNQCLSA-N 0 2 350.378 2.860 20 10 FFCDLN COC(=O)c1ccc(C)cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000141523791 508816203 /nfs/dbraw/zinc/81/62/03/508816203.db2.gz AYPBLIWZRQMPRJ-UHFFFAOYSA-N 0 2 363.420 2.587 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1c(OC)cccc1OC ZINC000276893993 510948318 /nfs/dbraw/zinc/94/83/18/510948318.db2.gz NCXXQDKVLMZIAI-UHFFFAOYSA-N 0 2 353.396 2.609 20 10 FFCDLN COCc1nsc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000363157422 511386343 /nfs/dbraw/zinc/38/63/43/511386343.db2.gz HEVROBCHRGOPKA-UHFFFAOYSA-N 0 2 370.425 2.789 20 10 FFCDLN COCCN1C(=O)CCc2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000275059250 512029492 /nfs/dbraw/zinc/02/94/92/512029492.db2.gz PDDPFNZOAMPHOM-UHFFFAOYSA-N 0 2 371.393 2.838 20 10 FFCDLN COc1cc(Br)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000366536664 512077762 /nfs/dbraw/zinc/07/77/62/512077762.db2.gz SPYWKHJTDJNQRU-INIZCTEOSA-N 0 2 355.276 2.691 20 10 FFCDLN COc1cc(Br)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000366536664 512077764 /nfs/dbraw/zinc/07/77/64/512077764.db2.gz SPYWKHJTDJNQRU-INIZCTEOSA-N 0 2 355.276 2.691 20 10 FFCDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000126177960 728694931 /nfs/dbraw/zinc/69/49/31/728694931.db2.gz YODOCLGTYLJQAX-UHFFFAOYSA-N 0 2 369.859 2.701 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)CCOCC(F)(F)F)c1O ZINC000177168068 729130045 /nfs/dbraw/zinc/13/00/45/729130045.db2.gz NCYJYEIJHRSQTO-UHFFFAOYSA-N 0 2 369.767 2.621 20 10 FFCDLN CC(C)(C)OC(=O)NCC(F)(F)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000189275841 729398006 /nfs/dbraw/zinc/39/80/06/729398006.db2.gz FPHKAVZTHYVVQR-UHFFFAOYSA-N 0 2 361.345 2.550 20 10 FFCDLN CC(C)O[C@@]1(CS(=O)(=O)Nc2cc(Cl)c(O)cc2F)CCOC1 ZINC000872370653 731757737 /nfs/dbraw/zinc/75/77/37/731757737.db2.gz BSIATBMHFFMZSA-AWEZNQCLSA-N 0 2 367.826 2.511 20 10 FFCDLN Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000895373000 734996727 /nfs/dbraw/zinc/99/67/27/734996727.db2.gz FKZMKJZCLOUQBF-PSLXWICFSA-N 0 2 374.293 2.738 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)cn1 ZINC000743046406 735274438 /nfs/dbraw/zinc/27/44/38/735274438.db2.gz FYQHVNNJWISHFR-UHFFFAOYSA-N 0 2 354.844 2.998 20 10 FFCDLN Cc1ncc(S(=O)(=O)Nc2nc3c(s2)CCc2sccc2-3)n1C ZINC000903249325 736067817 /nfs/dbraw/zinc/06/78/17/736067817.db2.gz YACGXANGLQSBHQ-UHFFFAOYSA-N 0 2 366.493 2.813 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cnn(C2CCC2)c1 ZINC000903571179 736115830 /nfs/dbraw/zinc/11/58/30/736115830.db2.gz AYXJPVXIHDZXOT-UHFFFAOYSA-N 0 2 361.452 2.927 20 10 FFCDLN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000761995301 736780834 /nfs/dbraw/zinc/78/08/34/736780834.db2.gz KUNVCGOPAQVUHJ-UHFFFAOYSA-N 0 2 357.819 2.611 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000790415450 739450751 /nfs/dbraw/zinc/45/07/51/739450751.db2.gz FZVGMRVURXYEAZ-UHFFFAOYSA-N 0 2 352.368 2.672 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cnn1C ZINC000794001731 739836792 /nfs/dbraw/zinc/83/67/92/739836792.db2.gz IDCQEVHHEVTPNS-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000795344742 740007017 /nfs/dbraw/zinc/00/70/17/740007017.db2.gz IRRFBKSXZKDEHQ-UHFFFAOYSA-N 0 2 371.212 2.553 20 10 FFCDLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000795345882 740007499 /nfs/dbraw/zinc/00/74/99/740007499.db2.gz RMDQCTXKSZXCDV-UHFFFAOYSA-N 0 2 365.407 2.551 20 10 FFCDLN C[C@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1ccccc1O ZINC000827957347 745007219 /nfs/dbraw/zinc/00/72/19/745007219.db2.gz UPRPVQZZLDVRCZ-VIFPVBQESA-N 0 2 356.300 2.655 20 10 FFCDLN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)cc(F)c3O)[C@H](C)C2)n[nH]1 ZINC000835073630 745945194 /nfs/dbraw/zinc/94/51/94/745945194.db2.gz NCNRSBALXNKOJP-LLVKDONJSA-N 0 2 366.824 2.563 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@]12CCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275957000 1013233157 /nfs/dbraw/zinc/23/31/57/1013233157.db2.gz OIQPYVQHRUYLES-OAHLLOKOSA-N 0 2 364.314 2.800 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@]12CCC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275957000 1013233162 /nfs/dbraw/zinc/23/31/62/1013233162.db2.gz OIQPYVQHRUYLES-OAHLLOKOSA-N 0 2 364.314 2.800 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1c(F)ccc(F)c1O ZINC001275957000 1013233172 /nfs/dbraw/zinc/23/31/72/1013233172.db2.gz OIQPYVQHRUYLES-OAHLLOKOSA-N 0 2 364.314 2.800 20 10 FFCDLN COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]c3nc(C)ccc3c2=O)c1 ZINC000729536272 968248897 /nfs/dbraw/zinc/24/88/97/968248897.db2.gz YEKSRTUVYSYYSB-LLVKDONJSA-N 0 2 353.378 2.849 20 10 FFCDLN CN(C)c1ccc(/C=C\C[N@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)cc1 ZINC001598314278 991294940 /nfs/dbraw/zinc/29/49/40/991294940.db2.gz LHRCDJMTPNZPCT-SREVYHEPSA-N 0 2 362.470 2.884 20 10 FFCDLN CN(C)c1ccc(/C=C\C[N@@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C)cc1 ZINC001598314278 991294946 /nfs/dbraw/zinc/29/49/46/991294946.db2.gz LHRCDJMTPNZPCT-SREVYHEPSA-N 0 2 362.470 2.884 20 10 FFCDLN COc1nc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)ccc1C ZINC001599729983 991696158 /nfs/dbraw/zinc/69/61/58/991696158.db2.gz IAHPEIXMINEBSM-UHFFFAOYSA-N 0 2 350.802 2.844 20 10 FFCDLN COc1cc(C(=O)Nc2ccc(F)c(Br)c2O)cc(O)c1O ZINC001193104867 1004374731 /nfs/dbraw/zinc/37/47/31/1004374731.db2.gz TYSZVIBUPCXNKE-UHFFFAOYSA-N 0 2 372.146 2.966 20 10 FFCDLN O=C(c1ccc(F)cc1)c1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC001193196266 1004399938 /nfs/dbraw/zinc/39/99/38/1004399938.db2.gz IJLKPCZLSMNSTL-HNNXBMFYSA-N 0 2 363.410 2.977 20 10 FFCDLN Cc1ncc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cc2)n1C ZINC001198343337 1004585737 /nfs/dbraw/zinc/58/57/37/1004585737.db2.gz FQEFUIUBOVWADB-UHFFFAOYSA-N 0 2 373.409 2.899 20 10 FFCDLN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1ccc(F)nc1F ZINC001190975587 1007856351 /nfs/dbraw/zinc/85/63/51/1007856351.db2.gz KVBYVWIKMUTGPU-UHFFFAOYSA-N 0 2 369.176 2.851 20 10 FFCDLN O=C(C[C@@H]1CCOC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001180922656 1009896943 /nfs/dbraw/zinc/89/69/43/1009896943.db2.gz VDKQNVOBFZAAAT-NSHDSACASA-N 0 2 351.358 2.533 20 10 FFCDLN Oc1c(F)cccc1CN1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001138127408 1033808347 /nfs/dbraw/zinc/80/83/47/1033808347.db2.gz ZYWYJHDAOHUDDF-JCGIZDLHSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001138127408 1033808364 /nfs/dbraw/zinc/80/83/64/1033808364.db2.gz ZYWYJHDAOHUDDF-JCGIZDLHSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001138127408 1033808378 /nfs/dbraw/zinc/80/83/78/1033808378.db2.gz ZYWYJHDAOHUDDF-JCGIZDLHSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001138129490 1033816248 /nfs/dbraw/zinc/81/62/48/1033816248.db2.gz GUNPUSFMWYLNRC-UHFFFAOYSA-N 0 2 356.323 2.662 20 10 FFCDLN C[C@H]1COC[C@@H]1Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227029231 1034915001 /nfs/dbraw/zinc/91/50/01/1034915001.db2.gz GJCHAPDOEALWLF-OVWNDWIMSA-N 0 2 370.357 2.991 20 10 FFCDLN [O-]c1c(F)ccc(F)c1C[NH+]1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001139685900 1035197989 /nfs/dbraw/zinc/19/79/89/1035197989.db2.gz DMSKQODOOINPBQ-UHFFFAOYSA-N 0 2 374.313 2.801 20 10 FFCDLN O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[NH+](C2CCC2)CC1 ZINC001251388053 1039105653 /nfs/dbraw/zinc/10/56/53/1039105653.db2.gz YQAYWTOMIYZBJE-UHFFFAOYSA-N 0 2 365.282 2.558 20 10 FFCDLN CCn1ncc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc21 ZINC001260388679 1040571319 /nfs/dbraw/zinc/57/13/19/1040571319.db2.gz TYZPGOCXMSLZKS-UHFFFAOYSA-N 0 2 359.436 2.862 20 10 FFCDLN O=S(=O)(Nc1ccc2c(c1)[C@H](O)CCC2)c1cccc2nsnc21 ZINC001260388678 1040571854 /nfs/dbraw/zinc/57/18/54/1040571854.db2.gz TYOILQAENPJTML-CQSZACIVSA-N 0 2 361.448 2.862 20 10 FFCDLN O=S(=O)(Nc1ccc2c(c1)[C@@H](O)CCC2)c1cccc2nsnc21 ZINC001260388677 1040571867 /nfs/dbraw/zinc/57/18/67/1040571867.db2.gz TYOILQAENPJTML-AWEZNQCLSA-N 0 2 361.448 2.862 20 10 FFCDLN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)c(C)c1 ZINC001260440139 1040592246 /nfs/dbraw/zinc/59/22/46/1040592246.db2.gz BECDATVODYTFDQ-UHFFFAOYSA-N 0 2 361.379 2.509 20 10 FFCDLN O=S(=O)(Nc1ccc2c(c1)COC2)c1ccc(Cl)c2nonc21 ZINC001261065853 1040969166 /nfs/dbraw/zinc/96/91/66/1040969166.db2.gz JXOXSAIMPWMATG-UHFFFAOYSA-N 0 2 351.771 2.707 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCCN3CCC[C@H]3C2)c1[O-] ZINC001318459272 1045305395 /nfs/dbraw/zinc/30/53/95/1045305395.db2.gz NPIKHWDUGGFCRD-KRWDZBQOSA-N 0 2 366.461 2.999 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCCN3CCC[C@H]3C2)c1[O-] ZINC001318459272 1045305400 /nfs/dbraw/zinc/30/54/00/1045305400.db2.gz NPIKHWDUGGFCRD-KRWDZBQOSA-N 0 2 366.461 2.999 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC001318459272 1045305402 /nfs/dbraw/zinc/30/54/02/1045305402.db2.gz NPIKHWDUGGFCRD-KRWDZBQOSA-N 0 2 366.461 2.999 20 10 FFCDLN COc1ccc(N2CC(=O)C(C(=O)NCc3cc(Cl)ccc3O)=N2)cc1 ZINC001583820490 1079270005 /nfs/dbraw/zinc/27/00/05/1079270005.db2.gz DGCFLCLGYAYSNY-UHFFFAOYSA-N 0 2 373.796 2.876 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)[C@@H]1CCCc2[nH]ncc21 ZINC000277656432 510969677 /nfs/dbraw/zinc/96/96/77/510969677.db2.gz ZLFYVOHAIFZRAS-SNVBAGLBSA-N 0 2 350.216 2.614 20 10 FFCDLN C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273493000 511529520 /nfs/dbraw/zinc/52/95/20/511529520.db2.gz OOQRIMYQGXAVKO-LBPRGKRZSA-N 0 2 359.382 2.941 20 10 FFCDLN CNC(=O)COc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000281161342 511742405 /nfs/dbraw/zinc/74/24/05/511742405.db2.gz PDZQJXOMPVPCRJ-GFCCVEGCSA-N 0 2 359.382 2.907 20 10 FFCDLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000274730541 511923875 /nfs/dbraw/zinc/92/38/75/511923875.db2.gz ATJOLDIGIPQAMM-UHFFFAOYSA-N 0 2 355.437 2.966 20 10 FFCDLN CCOC[C@H]1C[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000530106805 517569658 /nfs/dbraw/zinc/56/96/58/517569658.db2.gz OJLRGNRDGTVGFL-MRXNPFEDSA-N 0 2 371.433 2.566 20 10 FFCDLN CCOC[C@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000530106805 517569668 /nfs/dbraw/zinc/56/96/68/517569668.db2.gz OJLRGNRDGTVGFL-MRXNPFEDSA-N 0 2 371.433 2.566 20 10 FFCDLN O=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1cccc2nonc21 ZINC000162113405 728939571 /nfs/dbraw/zinc/93/95/71/728939571.db2.gz ZZIJSIZHVQYWLW-UHFFFAOYSA-N 0 2 359.285 2.764 20 10 FFCDLN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048860 732001784 /nfs/dbraw/zinc/00/17/84/732001784.db2.gz DVWPXLIORFOLRB-ZYHUDNBSSA-N 0 2 367.808 2.609 20 10 FFCDLN Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048860 732001788 /nfs/dbraw/zinc/00/17/88/732001788.db2.gz DVWPXLIORFOLRB-ZYHUDNBSSA-N 0 2 367.808 2.609 20 10 FFCDLN Cc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(F)c1 ZINC000743049503 735274687 /nfs/dbraw/zinc/27/46/87/735274687.db2.gz HMEXDGFIRRTZEF-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1 ZINC000743049985 735274718 /nfs/dbraw/zinc/27/47/18/735274718.db2.gz MCISYRHSRGMORG-UHFFFAOYSA-N 0 2 362.436 2.547 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1ccnn1CC1CCC1 ZINC000901917817 735868926 /nfs/dbraw/zinc/86/89/26/735868926.db2.gz ZRULNLBWQMDCMY-UHFFFAOYSA-N 0 2 353.469 2.912 20 10 FFCDLN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000765037067 737075219 /nfs/dbraw/zinc/07/52/19/737075219.db2.gz MTXTXXCXTWEUOP-UHFFFAOYSA-N 0 2 366.786 2.635 20 10 FFCDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(OC)c1 ZINC000785488906 738969420 /nfs/dbraw/zinc/96/94/20/738969420.db2.gz VENCBWYHRDOKFB-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000794594634 739908758 /nfs/dbraw/zinc/90/87/58/739908758.db2.gz MBJRVUSTKHFORN-UHFFFAOYSA-N 0 2 353.371 2.681 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000795552426 740036014 /nfs/dbraw/zinc/03/60/14/740036014.db2.gz ZXSWEBPDNWFHJC-UHFFFAOYSA-N 0 2 360.464 2.751 20 10 FFCDLN O=C(NCc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1O ZINC000804736111 740901222 /nfs/dbraw/zinc/90/12/22/740901222.db2.gz NWISDYLXASRWEM-UHFFFAOYSA-N 0 2 367.155 2.699 20 10 FFCDLN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000844837062 998161861 /nfs/dbraw/zinc/16/18/61/998161861.db2.gz CHKCKIRYOLAPSH-MRXNPFEDSA-N 0 2 372.421 2.801 20 10 FFCDLN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000844837062 998161865 /nfs/dbraw/zinc/16/18/65/998161865.db2.gz CHKCKIRYOLAPSH-MRXNPFEDSA-N 0 2 372.421 2.801 20 10 FFCDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1cc(Cl)c(O)cc1Cl ZINC001193058382 1004370684 /nfs/dbraw/zinc/37/06/84/1004370684.db2.gz SMOIEICQIJOTPG-UHFFFAOYSA-N 0 2 356.227 2.782 20 10 FFCDLN COc1nc(Cl)ccc1S(=O)(=O)Nc1cc(F)c(O)cc1F ZINC001198701997 1004701889 /nfs/dbraw/zinc/70/18/89/1004701889.db2.gz WNZYPTSLMBJWFL-UHFFFAOYSA-N 0 2 350.730 2.528 20 10 FFCDLN CCOCCS(=O)(=O)Nc1ccccc1C(=O)c1ccc(OC)cc1 ZINC001187287383 1006001783 /nfs/dbraw/zinc/00/17/83/1006001783.db2.gz ZVAOMKKRZGNUHP-UHFFFAOYSA-N 0 2 363.435 2.704 20 10 FFCDLN C[N@@H+](Cc1c([O-])cccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831660 1033162031 /nfs/dbraw/zinc/16/20/31/1033162031.db2.gz JEWANIOCBVZAPS-CYBMUJFWSA-N 0 2 354.422 2.599 20 10 FFCDLN C[N@H+](Cc1c([O-])cccc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831660 1033162037 /nfs/dbraw/zinc/16/20/37/1033162037.db2.gz JEWANIOCBVZAPS-CYBMUJFWSA-N 0 2 354.422 2.599 20 10 FFCDLN Cn1cc2c(n1)CN(Cc1c(F)ccc(F)c1O)C[C@@H]2COCC1CC1 ZINC001139681963 1035197218 /nfs/dbraw/zinc/19/72/18/1035197218.db2.gz JTLRBAPGERHYOX-CYBMUJFWSA-N 0 2 363.408 2.930 20 10 FFCDLN C[C@@H]1CCc2n[nH]c(C(=O)NCc3cccc(Br)c3O)c2C1 ZINC001139974572 1035294580 /nfs/dbraw/zinc/29/45/80/1035294580.db2.gz HDZQLJFHRDUIEI-SECBINFHSA-N 0 2 364.243 2.933 20 10 FFCDLN CC(C)N(C)C(=O)c1noc2c1CN(Cc1ccc(F)c(F)c1O)CC2 ZINC001233073963 1036319357 /nfs/dbraw/zinc/31/93/57/1036319357.db2.gz FCRUYCLSDDSWCP-UHFFFAOYSA-N 0 2 365.380 2.697 20 10 FFCDLN COC(=O)c1cc(O)c(OC)cc1NS(=O)(=O)c1ccccc1Cl ZINC001256311220 1038475646 /nfs/dbraw/zinc/47/56/46/1038475646.db2.gz FAGKEZPOXWAOSU-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nsnc32)cc(F)c1F ZINC001260388940 1040571730 /nfs/dbraw/zinc/57/17/30/1040571730.db2.gz JXDAQMRXTSKRKQ-UHFFFAOYSA-N 0 2 357.363 2.779 20 10 FFCDLN Cn1cc2ccc(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc2n1 ZINC001261071032 1040975752 /nfs/dbraw/zinc/97/57/52/1040975752.db2.gz ISGPZHSXEREVGD-UHFFFAOYSA-N 0 2 363.786 2.564 20 10 FFCDLN O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001279739961 1043562109 /nfs/dbraw/zinc/56/21/09/1043562109.db2.gz GLOVYCAMZHUCMR-HXPMCKFVSA-N 0 2 366.383 2.595 20 10 FFCDLN O=C(N1CC(F)(C2CC2)C1)[C@@]12C[C@@H]1CC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001279739961 1043562119 /nfs/dbraw/zinc/56/21/19/1043562119.db2.gz GLOVYCAMZHUCMR-HXPMCKFVSA-N 0 2 366.383 2.595 20 10 FFCDLN CC(C)c1nc(CC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)n[nH]1 ZINC001306868942 1052206485 /nfs/dbraw/zinc/20/64/85/1052206485.db2.gz ODNBDCSMMYMLQL-UHFFFAOYSA-N 0 2 362.405 2.573 20 10 FFCDLN CC(C)c1nnc(CC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)[nH]1 ZINC001306868942 1052206490 /nfs/dbraw/zinc/20/64/90/1052206490.db2.gz ODNBDCSMMYMLQL-UHFFFAOYSA-N 0 2 362.405 2.573 20 10 FFCDLN CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000191467953 510674183 /nfs/dbraw/zinc/67/41/83/510674183.db2.gz HOLOPIVMPLFFPH-LBPRGKRZSA-N 0 2 366.784 2.840 20 10 FFCDLN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc(F)c1F ZINC000158665606 728891994 /nfs/dbraw/zinc/89/19/94/728891994.db2.gz HYVDOFMIRVPUSS-UHFFFAOYSA-N 0 2 354.378 2.602 20 10 FFCDLN O=C1CCCN1c1cccc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000019095899 727831221 /nfs/dbraw/zinc/83/12/21/727831221.db2.gz MGFYEKAQNVKJJL-UHFFFAOYSA-N 0 2 374.447 2.619 20 10 FFCDLN Cc1cc(NS(=O)(=O)c2cn(C)nc2Br)c(C)c(C)c1O ZINC000872363804 731756363 /nfs/dbraw/zinc/75/63/63/731756363.db2.gz RJHHEHXTGXXQJB-UHFFFAOYSA-N 0 2 374.260 2.614 20 10 FFCDLN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048857 732001701 /nfs/dbraw/zinc/00/17/01/732001701.db2.gz DVWPXLIORFOLRB-CMPLNLGQSA-N 0 2 367.808 2.609 20 10 FFCDLN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048857 732001703 /nfs/dbraw/zinc/00/17/03/732001703.db2.gz DVWPXLIORFOLRB-CMPLNLGQSA-N 0 2 367.808 2.609 20 10 FFCDLN CC(C)c1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)ccc1O ZINC000882798744 733296889 /nfs/dbraw/zinc/29/68/89/733296889.db2.gz BNNXLEFWZDFSIY-UHFFFAOYSA-N 0 2 365.455 2.864 20 10 FFCDLN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1cccc2nonc21 ZINC000765040232 737075440 /nfs/dbraw/zinc/07/54/40/737075440.db2.gz RYAMARGFQKNMJL-UHFFFAOYSA-N 0 2 373.312 2.965 20 10 FFCDLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792703045 739695908 /nfs/dbraw/zinc/69/59/08/739695908.db2.gz PIMRPHSLTZJHMA-UHFFFAOYSA-N 0 2 353.421 2.702 20 10 FFCDLN CC[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000843040268 747753698 /nfs/dbraw/zinc/75/36/98/747753698.db2.gz TXZXUAZYZOVIOI-SECBINFHSA-N 0 2 367.037 2.870 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000780402178 988903383 /nfs/dbraw/zinc/90/33/83/988903383.db2.gz OXKROHZAGLRILF-UHFFFAOYSA-N 0 2 369.402 2.853 20 10 FFCDLN COc1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])ccc3F)CC2)cc1F ZINC001599585566 993608182 /nfs/dbraw/zinc/60/81/82/993608182.db2.gz DSXGUTHMOXKIBX-UHFFFAOYSA-N 0 2 362.376 2.994 20 10 FFCDLN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)cc1 ZINC000770738265 1000907039 /nfs/dbraw/zinc/90/70/39/1000907039.db2.gz JQQREUPEGXZAOW-UHFFFAOYSA-N 0 2 370.434 2.638 20 10 FFCDLN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c(O)cc(F)cc1F ZINC000856212663 1007729131 /nfs/dbraw/zinc/72/91/31/1007729131.db2.gz QRXNEHSXYYRELD-UHFFFAOYSA-N 0 2 362.376 2.562 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875491 1008233436 /nfs/dbraw/zinc/23/34/36/1008233436.db2.gz QHLVJUPNRQAGGL-KZULUSFZSA-N 0 2 354.406 2.543 20 10 FFCDLN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2c3ccccc3CN(C)C2=O)c1 ZINC000857875491 1008233438 /nfs/dbraw/zinc/23/34/38/1008233438.db2.gz QHLVJUPNRQAGGL-KZULUSFZSA-N 0 2 354.406 2.543 20 10 FFCDLN CCOC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)Cc2nnn(C)c21 ZINC001203579249 1030770709 /nfs/dbraw/zinc/77/07/09/1030770709.db2.gz PFJCREDWJGMGHB-NSHDSACASA-N 0 2 371.268 2.963 20 10 FFCDLN CC[C@H](O)C(=O)Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227504379 1035588816 /nfs/dbraw/zinc/58/88/16/1035588816.db2.gz JZVBCVHLNPZVGP-NSHDSACASA-N 0 2 356.330 2.548 20 10 FFCDLN CC(=O)[C@H](C)Oc1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c12 ZINC001229441971 1036674793 /nfs/dbraw/zinc/67/47/93/1036674793.db2.gz HQMDGLXBPZGYSR-VIFPVBQESA-N 0 2 372.329 2.639 20 10 FFCDLN CC(=O)N1CCO[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3O)CC[C@@H]2C1 ZINC001236789099 1038271186 /nfs/dbraw/zinc/27/11/86/1038271186.db2.gz CEZJGXNWYJEWPL-SJKOYZFVSA-N 0 2 373.280 2.768 20 10 FFCDLN O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC([NH+]2CCCCC2)C1 ZINC001251411520 1039116207 /nfs/dbraw/zinc/11/62/07/1039116207.db2.gz GBFXOJXIFOAQKR-UHFFFAOYSA-N 0 2 365.282 2.558 20 10 FFCDLN O=S(=O)(Nc1cccc(Cl)c1CO)c1cccc2nsnc21 ZINC001260388480 1040571130 /nfs/dbraw/zinc/57/11/30/1040571130.db2.gz LYDJVKKVAWHOFR-UHFFFAOYSA-N 0 2 355.828 2.638 20 10 FFCDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261066431 1040972097 /nfs/dbraw/zinc/97/20/97/1040972097.db2.gz WPLXKTAVFYBFEM-UHFFFAOYSA-N 0 2 351.771 2.880 20 10 FFCDLN COc1cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)ccc1C ZINC001261070879 1040974520 /nfs/dbraw/zinc/97/45/20/1040974520.db2.gz AIRUARRLLJWYME-UHFFFAOYSA-N 0 2 353.787 2.994 20 10 FFCDLN CC(C)(C)OC(=O)NCC(F)(F)CNCc1ccc(F)c(F)c1O ZINC000700632174 1042854487 /nfs/dbraw/zinc/85/44/87/1042854487.db2.gz XUAVVONHPKOFFS-UHFFFAOYSA-N 0 2 352.328 2.920 20 10 FFCDLN Cn1ncc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cnc21 ZINC001320429205 1045406748 /nfs/dbraw/zinc/40/67/48/1045406748.db2.gz OECXKQKSMCYBQR-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN O=C(NCC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1)C(F)(F)F ZINC001560795114 1076300232 /nfs/dbraw/zinc/30/02/32/1076300232.db2.gz MLTBFUNHSKVVJL-UHFFFAOYSA-N 0 2 352.303 2.561 20 10 FFCDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000014256050 506982872 /nfs/dbraw/zinc/98/28/72/506982872.db2.gz QLWMNVOBFGFZEW-UHFFFAOYSA-N 0 2 350.381 2.709 20 10 FFCDLN CC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000093918071 508160689 /nfs/dbraw/zinc/16/06/89/508160689.db2.gz POFOJXDXTCMKCJ-UHFFFAOYSA-N 0 2 354.453 2.783 20 10 FFCDLN COc1ccc(N2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)cc1F ZINC000186857824 509914441 /nfs/dbraw/zinc/91/44/41/509914441.db2.gz XACIASUHNBSXJM-UHFFFAOYSA-N 0 2 366.339 2.781 20 10 FFCDLN O=S(=O)(Nc1ccc(N2CCCC2)c(F)c1)c1cccc2nonc21 ZINC000162148361 728939819 /nfs/dbraw/zinc/93/98/19/728939819.db2.gz NFZOVRHTLFUBGO-UHFFFAOYSA-N 0 2 362.386 2.763 20 10 FFCDLN COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccccc3)n2)c[nH]1 ZINC000066250920 728168423 /nfs/dbraw/zinc/16/84/23/728168423.db2.gz WUMLXWFYTIWQJY-UHFFFAOYSA-N 0 2 363.420 2.726 20 10 FFCDLN O=S(=O)(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cccc2nonc21 ZINC000758164324 736457613 /nfs/dbraw/zinc/45/76/13/736457613.db2.gz IYQNBRLHSIFLCA-CYBMUJFWSA-N 0 2 373.312 2.619 20 10 FFCDLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cccc3nonc32)n1 ZINC000765099376 737082359 /nfs/dbraw/zinc/08/23/59/737082359.db2.gz PGTRWQHPVIFVSG-UHFFFAOYSA-N 0 2 355.379 2.518 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cnc2onc(CC)c2c1 ZINC000790411363 739449862 /nfs/dbraw/zinc/44/98/62/739449862.db2.gz KTIYCBKNXTZRBX-UHFFFAOYSA-N 0 2 363.395 2.690 20 10 FFCDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792702128 739695345 /nfs/dbraw/zinc/69/53/45/739695345.db2.gz MYHJMTLOQRVTJX-UHFFFAOYSA-N 0 2 371.411 2.841 20 10 FFCDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000794872700 739938527 /nfs/dbraw/zinc/93/85/27/739938527.db2.gz LTWUYBXCLDJIFU-UHFFFAOYSA-N 0 2 358.759 2.763 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)CCCOCc2ccccc2)ccc1O ZINC000821199539 742599675 /nfs/dbraw/zinc/59/96/75/742599675.db2.gz XJERLKLAYARVAB-UHFFFAOYSA-N 0 2 366.395 2.649 20 10 FFCDLN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Br)cc1O ZINC000824938763 743182361 /nfs/dbraw/zinc/18/23/61/743182361.db2.gz LUULCDPFYKWNSI-BFYDXBDKSA-N 0 2 369.303 2.838 20 10 FFCDLN C[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000848637685 748974088 /nfs/dbraw/zinc/97/40/88/748974088.db2.gz KLKPCWJLUIAWFC-ZCFIWIBFSA-N 0 2 367.037 2.728 20 10 FFCDLN CCc1nc(S(=O)(=O)Nc2ccc(O)c(F)c2F)cn1CC1CC1 ZINC000853032422 749990021 /nfs/dbraw/zinc/99/00/21/749990021.db2.gz RUERCJSRDOOKII-UHFFFAOYSA-N 0 2 357.382 2.640 20 10 FFCDLN COc1ccc(O)c(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c1 ZINC000177163607 969089906 /nfs/dbraw/zinc/08/99/06/969089906.db2.gz ONOKZEWGRYJUDJ-UHFFFAOYSA-N 0 2 373.796 2.876 20 10 FFCDLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000162246366 969133777 /nfs/dbraw/zinc/13/37/77/969133777.db2.gz ZOQZBHJIFNAVLU-NSHDSACASA-N 0 2 374.422 2.552 20 10 FFCDLN CN(C)c1[nH+]ccc2c1CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001598358729 991479532 /nfs/dbraw/zinc/47/95/32/991479532.db2.gz KXHRNMXDWLDNJC-XQRVVYSFSA-N 0 2 368.393 2.716 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000790067698 1002274324 /nfs/dbraw/zinc/27/43/24/1002274324.db2.gz JPADKMOINFAXIT-UHFFFAOYSA-N 0 2 374.418 2.780 20 10 FFCDLN O=S(=O)(Nc1ccc(O)cc1O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188206424 1006465297 /nfs/dbraw/zinc/46/52/97/1006465297.db2.gz NBZXKPREPCCCFI-UHFFFAOYSA-N 0 2 368.720 2.966 20 10 FFCDLN O=C([O-])C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(F)F ZINC001119611579 1022892261 /nfs/dbraw/zinc/89/22/61/1022892261.db2.gz IUSKFEQVGMNKTR-ZETCQYMHSA-N 0 2 356.138 2.739 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC001233309177 1036515360 /nfs/dbraw/zinc/51/53/60/1036515360.db2.gz VWNZXLSTQGIQTC-CQSZACIVSA-N 0 2 372.259 2.798 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC001233309177 1036515366 /nfs/dbraw/zinc/51/53/66/1036515366.db2.gz VWNZXLSTQGIQTC-CQSZACIVSA-N 0 2 372.259 2.798 20 10 FFCDLN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236790229 1038271321 /nfs/dbraw/zinc/27/13/21/1038271321.db2.gz NETCUOUZJZYOTI-BPLDGKMQSA-N 0 2 359.253 2.519 20 10 FFCDLN CC(=O)N1CCO[C@@H]2CN(Cc3c(O)ccc(Cl)c3Cl)CC[C@@H]2C1 ZINC001237079616 1038438621 /nfs/dbraw/zinc/43/86/21/1038438621.db2.gz MWCDIWCWMPNVTG-MLGOLLRUSA-N 0 2 373.280 2.768 20 10 FFCDLN COc1ccc(CN2CCC[C@H]3C[C@H]32)c(O)c1I ZINC001248499020 1040301612 /nfs/dbraw/zinc/30/16/12/1040301612.db2.gz ZKWAARSIEOMRHH-GXSJLCMTSA-N 0 2 359.207 2.990 20 10 FFCDLN COc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1I ZINC001248499020 1040301624 /nfs/dbraw/zinc/30/16/24/1040301624.db2.gz ZKWAARSIEOMRHH-GXSJLCMTSA-N 0 2 359.207 2.990 20 10 FFCDLN COc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1I ZINC001248499020 1040301637 /nfs/dbraw/zinc/30/16/37/1040301637.db2.gz ZKWAARSIEOMRHH-GXSJLCMTSA-N 0 2 359.207 2.990 20 10 FFCDLN O=c1ccc2c(NS(=O)(=O)c3cccc4nsnc43)cccc2[nH]1 ZINC001260388140 1040571820 /nfs/dbraw/zinc/57/18/20/1040571820.db2.gz UWHWRADNOJKCBX-UHFFFAOYSA-N 0 2 358.404 2.746 20 10 FFCDLN CC(C)OC(=O)c1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC001260441186 1040593201 /nfs/dbraw/zinc/59/32/01/1040593201.db2.gz STKWXQVTBCMVTM-UHFFFAOYSA-N 0 2 361.379 2.589 20 10 FFCDLN COc1ccc2cc(NS(=O)(=O)c3cccc4nonc43)ccc2n1 ZINC001260440955 1040593280 /nfs/dbraw/zinc/59/32/80/1040593280.db2.gz BXIGSWSAWZFRAM-UHFFFAOYSA-N 0 2 356.363 2.580 20 10 FFCDLN O=S(=O)(Nc1ccc2ncoc2c1)c1ccc(Cl)c2nonc21 ZINC001261065670 1040967410 /nfs/dbraw/zinc/96/74/10/1040967410.db2.gz ATZRGDWMOKUDTE-UHFFFAOYSA-N 0 2 350.743 2.818 20 10 FFCDLN COCCOCN1CCC12CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001278560779 1041172177 /nfs/dbraw/zinc/17/21/77/1041172177.db2.gz LXNVEEVSYXKYIW-UHFFFAOYSA-N 0 2 361.269 2.580 20 10 FFCDLN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(F)c(F)c(O)c1F ZINC000182911255 509491231 /nfs/dbraw/zinc/49/12/31/509491231.db2.gz XCLXVZCWOWRIIR-UHFFFAOYSA-N 0 2 352.312 2.915 20 10 FFCDLN Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000191754009 510814585 /nfs/dbraw/zinc/81/45/85/510814585.db2.gz SVCFEXBLHGBASF-CQSZACIVSA-N 0 2 368.846 2.977 20 10 FFCDLN Cn1cc([C@H]2CSCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000191754009 510814589 /nfs/dbraw/zinc/81/45/89/510814589.db2.gz SVCFEXBLHGBASF-CQSZACIVSA-N 0 2 368.846 2.977 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000276810435 510947212 /nfs/dbraw/zinc/94/72/12/510947212.db2.gz FSRFTBCYHGJUIM-UHFFFAOYSA-N 0 2 369.395 2.588 20 10 FFCDLN OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297592582 511000588 /nfs/dbraw/zinc/00/05/88/511000588.db2.gz HQQNLENNUUCNLM-SLFFLAALSA-N 0 2 352.478 2.852 20 10 FFCDLN O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166463 511294808 /nfs/dbraw/zinc/29/48/08/511294808.db2.gz YRPXKVMUYWIAML-TZMCWYRMSA-N 0 2 354.790 2.524 20 10 FFCDLN O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166463 511294811 /nfs/dbraw/zinc/29/48/11/511294811.db2.gz YRPXKVMUYWIAML-TZMCWYRMSA-N 0 2 354.790 2.524 20 10 FFCDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000272461615 511494611 /nfs/dbraw/zinc/49/46/11/511494611.db2.gz XRLLIPFBJXKHFX-HNNXBMFYSA-N 0 2 372.377 2.827 20 10 FFCDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000273210628 511519875 /nfs/dbraw/zinc/51/98/75/511519875.db2.gz LKEVGJLHUJXNCB-OAHLLOKOSA-N 0 2 372.377 2.827 20 10 FFCDLN O=S(=O)(Nc1ccc([C@H]2CCOC2)cc1)c1cccc2nsnc21 ZINC000580874528 519400937 /nfs/dbraw/zinc/40/09/37/519400937.db2.gz SJXTUYOQZVOMFJ-LBPRGKRZSA-N 0 2 361.448 2.996 20 10 FFCDLN CNC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000071033959 728207663 /nfs/dbraw/zinc/20/76/63/728207663.db2.gz VEVCENBSOROCFB-UHFFFAOYSA-N 0 2 373.459 2.971 20 10 FFCDLN CC1([NH+]2CCOCC2)CCN(Cc2c(O)cccc2Br)CC1 ZINC000862504568 730705841 /nfs/dbraw/zinc/70/58/41/730705841.db2.gz HGLIAQIFXJJVAW-UHFFFAOYSA-N 0 2 369.303 2.841 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)cn1 ZINC000743050615 735274748 /nfs/dbraw/zinc/27/47/48/735274748.db2.gz WQSOBXBVHIHWBT-UHFFFAOYSA-N 0 2 354.844 2.998 20 10 FFCDLN Cc1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(F)cc1F ZINC000753156855 736041824 /nfs/dbraw/zinc/04/18/24/736041824.db2.gz XZDLVUDTKANWQM-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1-c1ncco1 ZINC000765105817 737083722 /nfs/dbraw/zinc/08/37/22/737083722.db2.gz LEEFZTUTIPYYGG-UHFFFAOYSA-N 0 2 356.363 2.987 20 10 FFCDLN O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cccnc1OCC(F)F ZINC000821191365 742599235 /nfs/dbraw/zinc/59/92/35/742599235.db2.gz MZLYQZPKGUEYLZ-UHFFFAOYSA-N 0 2 364.757 2.885 20 10 FFCDLN CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000162098287 967973085 /nfs/dbraw/zinc/97/30/85/967973085.db2.gz SLYMSRTZJCQNDZ-UHFFFAOYSA-N 0 2 374.422 2.552 20 10 FFCDLN CC(C)OC[C@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCO1 ZINC001591718765 975630941 /nfs/dbraw/zinc/63/09/41/975630941.db2.gz UXHMGCNXYVOLEG-CQSZACIVSA-N 0 2 364.417 2.641 20 10 FFCDLN CC(C)OC[C@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCO1 ZINC001591718765 975630944 /nfs/dbraw/zinc/63/09/44/975630944.db2.gz UXHMGCNXYVOLEG-CQSZACIVSA-N 0 2 364.417 2.641 20 10 FFCDLN CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(C3([NH3+])CC3)no2)C1 ZINC000905327120 980419004 /nfs/dbraw/zinc/41/90/04/980419004.db2.gz VRBZJFGUDWPTRA-UHFFFAOYSA-N 0 2 351.454 2.787 20 10 FFCDLN C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593312012 994793454 /nfs/dbraw/zinc/79/34/54/994793454.db2.gz NAFQWESETJQIBH-SNVBAGLBSA-N 0 2 356.357 2.865 20 10 FFCDLN C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593312012 994793466 /nfs/dbraw/zinc/79/34/66/994793466.db2.gz NAFQWESETJQIBH-SNVBAGLBSA-N 0 2 356.357 2.865 20 10 FFCDLN C[C@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1cc(C(=O)[O-])ccc1O ZINC001593318010 994826314 /nfs/dbraw/zinc/82/63/14/994826314.db2.gz XZBBMHYKYVDWBU-LBPRGKRZSA-N 0 2 370.384 2.720 20 10 FFCDLN COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(=O)[O-])cc1O ZINC001599532585 997684395 /nfs/dbraw/zinc/68/43/95/997684395.db2.gz SHGWZEJIVYZGDW-AWEZNQCLSA-N 0 2 355.749 2.814 20 10 FFCDLN O=C(COCC1CC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001182479630 1001922088 /nfs/dbraw/zinc/92/20/88/1001922088.db2.gz ONAXXRNVSNRGQG-UHFFFAOYSA-N 0 2 351.358 2.533 20 10 FFCDLN Cc1ccc(=O)[nH]c1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001193189778 1004397603 /nfs/dbraw/zinc/39/76/03/1004397603.db2.gz RYJXZEIGHITXOS-UHFFFAOYSA-N 0 2 374.352 2.829 20 10 FFCDLN O=S(=O)(Nc1cccc(O)c1O)c1cccc(F)c1Br ZINC001201780928 1005272260 /nfs/dbraw/zinc/27/22/60/1005272260.db2.gz KNBCKGWZZKLMDV-UHFFFAOYSA-N 0 2 362.176 2.800 20 10 FFCDLN COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367662 1026042992 /nfs/dbraw/zinc/04/29/92/1026042992.db2.gz KRVWELANUNXYBZ-CYBMUJFWSA-N 0 2 366.614 2.895 20 10 FFCDLN O=C(c1ccccc1F)N1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139682646 1035197290 /nfs/dbraw/zinc/19/72/90/1035197290.db2.gz ACWFGRNERCIRCC-UHFFFAOYSA-N 0 2 350.340 2.768 20 10 FFCDLN O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417589 1036610413 /nfs/dbraw/zinc/61/04/13/1036610413.db2.gz ZYQJCVNWVWTBLM-UHFFFAOYSA-N 0 2 354.372 2.998 20 10 FFCDLN O=C(N1CCCC1)C12CC(C1)C[N@@H+]2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233417589 1036610420 /nfs/dbraw/zinc/61/04/20/1036610420.db2.gz ZYQJCVNWVWTBLM-UHFFFAOYSA-N 0 2 354.372 2.998 20 10 FFCDLN O=C(N1CCCC1)C12CC(C1)CN2Cc1cccc(C(F)(F)F)c1O ZINC001233417589 1036610427 /nfs/dbraw/zinc/61/04/27/1036610427.db2.gz ZYQJCVNWVWTBLM-UHFFFAOYSA-N 0 2 354.372 2.998 20 10 FFCDLN CCN1CC(Oc2c(O)c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c32)C1 ZINC001229700185 1036839011 /nfs/dbraw/zinc/83/90/11/1036839011.db2.gz ROCGSTWGFHUFQE-UHFFFAOYSA-N 0 2 369.373 2.660 20 10 FFCDLN C[C@@H](O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261073919 1040980298 /nfs/dbraw/zinc/98/02/98/1040980298.db2.gz YXGLYZPRIHYIDJ-MRVPVSSYSA-N 0 2 353.787 2.730 20 10 FFCDLN Cc1cc(Br)cc(CN2CCC[C@@]3(C2)C[N@H+](C)CCO3)c1O ZINC001279698969 1043492120 /nfs/dbraw/zinc/49/21/20/1043492120.db2.gz FNGQYWSBGDZJNW-KRWDZBQOSA-N 0 2 369.303 2.760 20 10 FFCDLN O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1ccc(F)c(F)c1O ZINC001308851774 1052507950 /nfs/dbraw/zinc/50/79/50/1052507950.db2.gz MOYQIUQYNPTIND-QGZVFWFLSA-N 0 2 358.388 2.876 20 10 FFCDLN O=C(NCc1ccc(O)cc1O)c1cc(Br)cc(F)c1O ZINC001451762693 1059142494 /nfs/dbraw/zinc/14/24/94/1059142494.db2.gz SFSJCQRGKFRGRH-UHFFFAOYSA-N 0 2 356.147 2.635 20 10 FFCDLN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001462521886 1061657873 /nfs/dbraw/zinc/65/78/73/1061657873.db2.gz TUDGXBINCNYCHK-ZDUSSCGKSA-N 0 2 354.731 2.828 20 10 FFCDLN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001462521886 1061657881 /nfs/dbraw/zinc/65/78/81/1061657881.db2.gz TUDGXBINCNYCHK-ZDUSSCGKSA-N 0 2 354.731 2.828 20 10 FFCDLN CSc1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)[nH]1 ZINC001570027322 1077178124 /nfs/dbraw/zinc/17/81/24/1077178124.db2.gz FNRQRDWVCLKWNH-UHFFFAOYSA-N 0 2 360.222 2.847 20 10 FFCDLN CCOc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000019104336 507155563 /nfs/dbraw/zinc/15/55/63/507155563.db2.gz HFVZDPWIRSXDFZ-UHFFFAOYSA-N 0 2 365.436 2.899 20 10 FFCDLN O=C(c1ccco1)N1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000158465869 508708457 /nfs/dbraw/zinc/70/84/57/508708457.db2.gz NNPYCMJMRCBNSW-UHFFFAOYSA-N 0 2 365.773 2.505 20 10 FFCDLN Cc1cc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c(C)c(C)c1O ZINC000295232734 511330966 /nfs/dbraw/zinc/33/09/66/511330966.db2.gz SZRNHNGNUUNACV-UHFFFAOYSA-N 0 2 363.361 2.871 20 10 FFCDLN CN(C)c1ccc2c(c1)OCCN2C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000541092221 516870119 /nfs/dbraw/zinc/87/01/19/516870119.db2.gz IRQRGMGKVKKYMD-UHFFFAOYSA-N 0 2 361.471 2.754 20 10 FFCDLN CO[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000831841922 601567095 /nfs/dbraw/zinc/56/70/95/601567095.db2.gz VYPCPEYZAJLVLV-QGZVFWFLSA-N 0 2 356.422 2.696 20 10 FFCDLN CO[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000831841922 601567097 /nfs/dbraw/zinc/56/70/97/601567097.db2.gz VYPCPEYZAJLVLV-QGZVFWFLSA-N 0 2 356.422 2.696 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c[nH]1 ZINC000743045519 735274304 /nfs/dbraw/zinc/27/43/04/735274304.db2.gz NSPWTBFJPORKFB-UHFFFAOYSA-N 0 2 369.449 2.787 20 10 FFCDLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000776748849 738229341 /nfs/dbraw/zinc/22/93/41/738229341.db2.gz LQLRQJXFQUWEQF-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(F)cc1F ZINC000055679269 845338168 /nfs/dbraw/zinc/33/81/68/845338168.db2.gz UZFRNAJGFSYYET-UHFFFAOYSA-N 0 2 354.378 2.602 20 10 FFCDLN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001142520266 982525769 /nfs/dbraw/zinc/52/57/69/982525769.db2.gz FAIQRWGKYZIOEM-CABCVRRESA-N 0 2 365.405 2.616 20 10 FFCDLN CCOC(=O)N1CCC(C)(C[N@H+](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001596644366 984650759 /nfs/dbraw/zinc/65/07/59/984650759.db2.gz MVJBVJVEUALSPL-UHFFFAOYSA-N 0 2 364.442 2.845 20 10 FFCDLN CCOC(=O)N1CCC(C)(C[N@@H+](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001596644366 984650765 /nfs/dbraw/zinc/65/07/65/984650765.db2.gz MVJBVJVEUALSPL-UHFFFAOYSA-N 0 2 364.442 2.845 20 10 FFCDLN O=C(c1cc(O)c(O)c(Cl)c1)N1CCN(c2cccc3[nH]ncc32)CC1 ZINC001193612739 1004522799 /nfs/dbraw/zinc/52/27/99/1004522799.db2.gz SEOVRNGVPRWRLO-UHFFFAOYSA-N 0 2 372.812 2.590 20 10 FFCDLN COC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)[nH]n1 ZINC001194288752 1004707146 /nfs/dbraw/zinc/70/71/46/1004707146.db2.gz NNXUZMXYGJAAHY-UHFFFAOYSA-N 0 2 350.378 2.626 20 10 FFCDLN COC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)n[nH]1 ZINC001194288752 1004707151 /nfs/dbraw/zinc/70/71/51/1004707151.db2.gz NNXUZMXYGJAAHY-UHFFFAOYSA-N 0 2 350.378 2.626 20 10 FFCDLN CCOC(=O)NC(=S)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001195487606 1004975754 /nfs/dbraw/zinc/97/57/54/1004975754.db2.gz WHTDCEHDTXMTCG-UHFFFAOYSA-N 0 2 370.386 2.611 20 10 FFCDLN CCOC(=O)c1cccc2[nH]c(NCc3cc([N+](=O)[O-])ccc3O)nc21 ZINC001179758125 1009441635 /nfs/dbraw/zinc/44/16/35/1009441635.db2.gz AUIYQHPOQNKKRV-UHFFFAOYSA-N 0 2 356.338 2.966 20 10 FFCDLN COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392300 1023704155 /nfs/dbraw/zinc/70/41/55/1023704155.db2.gz NJQZXICEZJTHNK-CHWSQXEVSA-N 0 2 358.442 2.909 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392300 1023704160 /nfs/dbraw/zinc/70/41/60/1023704160.db2.gz NJQZXICEZJTHNK-CHWSQXEVSA-N 0 2 358.442 2.909 20 10 FFCDLN [NH3+]C[C@@H]1CCCCN(Cc2cccc(I)c2O)C1 ZINC001206640919 1031935589 /nfs/dbraw/zinc/93/55/89/1031935589.db2.gz OVZXRIQIGHTYOQ-NSHDSACASA-N 0 2 360.239 2.558 20 10 FFCDLN Oc1c(F)ccc(F)c1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001139682048 1035196811 /nfs/dbraw/zinc/19/68/11/1035196811.db2.gz MRGGONXEMAJFGK-AWEZNQCLSA-N 0 2 363.408 2.926 20 10 FFCDLN Oc1c(F)ccc(F)c1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001139683370 1035197056 /nfs/dbraw/zinc/19/70/56/1035197056.db2.gz HSNCFTRHDHMQEX-UHFFFAOYSA-N 0 2 359.380 2.518 20 10 FFCDLN Oc1cccc2c1C[N@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC001139764363 1035224808 /nfs/dbraw/zinc/22/48/08/1035224808.db2.gz IXAFLZXCYFZZIW-UHFFFAOYSA-N 0 2 368.477 2.662 20 10 FFCDLN CC(=O)[C@H](C)Oc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228367548 1036075599 /nfs/dbraw/zinc/07/55/99/1036075599.db2.gz DDNXWSGWSFTYGL-JTQLQIEISA-N 0 2 356.330 2.933 20 10 FFCDLN COC[C@H](C)Oc1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c12 ZINC001229440282 1036674744 /nfs/dbraw/zinc/67/47/44/1036674744.db2.gz HAELPQLHJJSXLX-VIFPVBQESA-N 0 2 374.345 2.696 20 10 FFCDLN CO[C@H](C)COc1c(=O)c2c(O)cc(O)c(O)c2oc1-c1ccc(O)cc1 ZINC001230165806 1037126859 /nfs/dbraw/zinc/12/68/59/1037126859.db2.gz KDRDMMYUSQXLQD-SECBINFHSA-N 0 2 374.345 2.696 20 10 FFCDLN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)c(Cl)cc2O)O1 ZINC001236790230 1038271123 /nfs/dbraw/zinc/27/11/23/1038271123.db2.gz NETCUOUZJZYOTI-YUELXQCFSA-N 0 2 359.253 2.519 20 10 FFCDLN CCNC(=O)CO[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237084227 1038439732 /nfs/dbraw/zinc/43/97/32/1038439732.db2.gz IJBPNESKZQPHBZ-LLVKDONJSA-N 0 2 361.269 2.816 20 10 FFCDLN CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084227 1038439735 /nfs/dbraw/zinc/43/97/35/1038439735.db2.gz IJBPNESKZQPHBZ-LLVKDONJSA-N 0 2 361.269 2.816 20 10 FFCDLN CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084227 1038439739 /nfs/dbraw/zinc/43/97/39/1038439739.db2.gz IJBPNESKZQPHBZ-LLVKDONJSA-N 0 2 361.269 2.816 20 10 FFCDLN CN1CCc2ccc(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc21 ZINC001261072489 1040976637 /nfs/dbraw/zinc/97/66/37/1040976637.db2.gz UWHRMFWWCJLLTM-UHFFFAOYSA-N 0 2 364.814 2.669 20 10 FFCDLN CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c(O)cc(F)cc1F ZINC001278605431 1041390109 /nfs/dbraw/zinc/39/01/09/1041390109.db2.gz CMKWBGYSWMHZLR-OWCLPIDISA-N 0 2 360.404 2.978 20 10 FFCDLN O=C(Cc1ccsc1)N1CCC12CN(Cc1c(O)cc(F)cc1F)C2 ZINC001278605574 1041391500 /nfs/dbraw/zinc/39/15/00/1041391500.db2.gz HHQWCOJYSKTYDT-UHFFFAOYSA-N 0 2 364.417 2.761 20 10 FFCDLN O=C(Nc1cccnc1)N1CCC12CN(Cc1ccc(F)c(F)c1O)C2 ZINC001279697283 1043487114 /nfs/dbraw/zinc/48/71/14/1043487114.db2.gz SPCSSSUZTLNMKA-UHFFFAOYSA-N 0 2 360.364 2.558 20 10 FFCDLN CN(C)C(=O)c1noc2c1CN(Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC001279976325 1044020960 /nfs/dbraw/zinc/02/09/60/1044020960.db2.gz SAHUXKZMBNXDNQ-UHFFFAOYSA-N 0 2 370.236 2.947 20 10 FFCDLN COc1cccc(S(O)=CC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000424808891 513288598 /nfs/dbraw/zinc/28/85/98/513288598.db2.gz HNPIETFXNFFSRJ-SANMLTNESA-N 0 2 370.474 2.919 20 10 FFCDLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000584503420 518371278 /nfs/dbraw/zinc/37/12/78/518371278.db2.gz GCDBVARHWSTQCZ-UHFFFAOYSA-N 0 2 363.420 2.790 20 10 FFCDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)s1 ZINC000743259755 735286006 /nfs/dbraw/zinc/28/60/06/735286006.db2.gz MXOZLLJNAJUOTR-SNVBAGLBSA-N 0 2 354.453 2.760 20 10 FFCDLN CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000129108644 728710388 /nfs/dbraw/zinc/71/03/88/728710388.db2.gz FZTLZEOUMWXOMV-GFCCVEGCSA-N 0 2 374.312 2.731 20 10 FFCDLN COC(=O)[C@@H](Cc1cccc(OC)c1)NCc1ccc(F)c(F)c1O ZINC000877653021 732406018 /nfs/dbraw/zinc/40/60/18/732406018.db2.gz UTRMSUUOKKPLNF-OAHLLOKOSA-N 0 2 351.349 2.553 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccc(F)c(F)c3)n2)cn1 ZINC000743050026 735274770 /nfs/dbraw/zinc/27/47/70/735274770.db2.gz NXRKWMITOLBTTD-UHFFFAOYSA-N 0 2 356.379 2.623 20 10 FFCDLN CCc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)s1 ZINC000743050606 735274868 /nfs/dbraw/zinc/27/48/68/735274868.db2.gz WFNXVHGXWIBOSX-UHFFFAOYSA-N 0 2 354.482 2.968 20 10 FFCDLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776750442 738229458 /nfs/dbraw/zinc/22/94/58/738229458.db2.gz DOROOXMRNBIYJF-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000790418600 739451422 /nfs/dbraw/zinc/45/14/22/739451422.db2.gz XHLSWVKXGCPEAU-UHFFFAOYSA-N 0 2 352.368 2.672 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccoc1 ZINC000795549749 740035574 /nfs/dbraw/zinc/03/55/74/740035574.db2.gz RUCPDCIOEQJLBQ-UHFFFAOYSA-N 0 2 350.377 2.933 20 10 FFCDLN O=C(NCc1cc(Br)ccc1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000804737811 740901541 /nfs/dbraw/zinc/90/15/41/740901541.db2.gz YTXQDDDHRLGYSI-UHFFFAOYSA-N 0 2 367.155 2.699 20 10 FFCDLN O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]2CCC[C@@H]21 ZINC000825201545 743227029 /nfs/dbraw/zinc/22/70/29/743227029.db2.gz LRSAGKAOUOVUHK-STQMWFEESA-N 0 2 350.267 2.851 20 10 FFCDLN O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]2CCC[C@@H]21 ZINC000825201541 743227117 /nfs/dbraw/zinc/22/71/17/743227117.db2.gz LRSAGKAOUOVUHK-OLZOCXBDSA-N 0 2 350.267 2.851 20 10 FFCDLN COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]c3nc(C)ccc3c2=O)c1 ZINC000729536274 968250200 /nfs/dbraw/zinc/25/02/00/968250200.db2.gz YEKSRTUVYSYYSB-NSHDSACASA-N 0 2 353.378 2.849 20 10 FFCDLN CC[NH+]1CCN(c2ccc(CNc3ccc(C(=O)[O-])c(C)[nH+]3)cc2F)CC1 ZINC000910287236 981889417 /nfs/dbraw/zinc/88/94/17/981889417.db2.gz CMPBYORODMMGIU-UHFFFAOYSA-N 0 2 372.444 2.981 20 10 FFCDLN COCCn1ccc2ccc(NS(=O)(=O)c3cccc4nonc43)cc21 ZINC000770646746 1000879093 /nfs/dbraw/zinc/87/90/93/1000879093.db2.gz YGGOKJQEDNTTBA-UHFFFAOYSA-N 0 2 372.406 2.625 20 10 FFCDLN C[C@@H](CSCC[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001333184684 1048747567 /nfs/dbraw/zinc/74/75/67/1048747567.db2.gz CRZJMKPTRMJELJ-QMMMGPOBSA-N 0 2 366.252 2.837 20 10 FFCDLN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)c1 ZINC001192822031 1004287742 /nfs/dbraw/zinc/28/77/42/1004287742.db2.gz XGQFUVXFDRXVOO-UHFFFAOYSA-N 0 2 365.407 2.551 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccncc2)cs1)c1ccc2nccnc2c1 ZINC001198105019 1004497326 /nfs/dbraw/zinc/49/73/26/1004497326.db2.gz JITYTSKNCSROND-UHFFFAOYSA-N 0 2 369.431 2.949 20 10 FFCDLN COCCn1c(C)c(C)c2cc(C(=O)NCCc3n[nH]c(=S)o3)ccc21 ZINC000776535130 1005902055 /nfs/dbraw/zinc/90/20/55/1005902055.db2.gz AMMPDAVNFLYOKT-UHFFFAOYSA-N 0 2 374.466 2.549 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)cc2cccnc21 ZINC000775287346 1007239102 /nfs/dbraw/zinc/23/91/02/1007239102.db2.gz ZRVBRSOQBNKVSJ-UHFFFAOYSA-N 0 2 372.402 2.836 20 10 FFCDLN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cc(F)cc(F)c1F ZINC001190387206 1007604827 /nfs/dbraw/zinc/60/48/27/1007604827.db2.gz GCZFWHAESDMCMT-UHFFFAOYSA-N 0 2 372.368 2.741 20 10 FFCDLN Cc1cc[nH]c(=O)c1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001190975249 1007857218 /nfs/dbraw/zinc/85/72/18/1007857218.db2.gz DVRVPVMJYHKUTG-UHFFFAOYSA-N 0 2 374.352 2.829 20 10 FFCDLN C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000866627490 1011026388 /nfs/dbraw/zinc/02/63/88/1011026388.db2.gz BKBYLKRDJQEBKF-SECBINFHSA-N 0 2 369.343 2.830 20 10 FFCDLN O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC[C@H]3C[C@@H](O)C3)c12 ZINC001218432432 1033153591 /nfs/dbraw/zinc/15/35/91/1033153591.db2.gz SUJCZFWHFLDQQH-KLPPZKSPSA-N 0 2 370.357 2.727 20 10 FFCDLN Cn1nc(COCC2CC2)c2c1CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139683322 1035196994 /nfs/dbraw/zinc/19/69/94/1035196994.db2.gz HHNAOCBUKKLBAL-UHFFFAOYSA-N 0 2 363.408 2.889 20 10 FFCDLN Cn1nc(COCC2CC2)c2c1CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139683322 1035196996 /nfs/dbraw/zinc/19/69/96/1035196996.db2.gz HHNAOCBUKKLBAL-UHFFFAOYSA-N 0 2 363.408 2.889 20 10 FFCDLN Cn1nc(COCC2CC2)c2c1CCN(Cc1c(F)ccc(F)c1O)C2 ZINC001139683322 1035196999 /nfs/dbraw/zinc/19/69/99/1035196999.db2.gz HHNAOCBUKKLBAL-UHFFFAOYSA-N 0 2 363.408 2.889 20 10 FFCDLN CC(=O)[C@@H](C)Oc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228367549 1036074054 /nfs/dbraw/zinc/07/40/54/1036074054.db2.gz DDNXWSGWSFTYGL-SNVBAGLBSA-N 0 2 356.330 2.933 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2CCC(F)(F)C2)c1 ZINC001233305656 1036512674 /nfs/dbraw/zinc/51/26/74/1036512674.db2.gz OLCOURMXXZFPOO-UHFFFAOYSA-N 0 2 350.159 2.782 20 10 FFCDLN O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O[C@@H]3CCOC3)c12 ZINC001229701451 1036839117 /nfs/dbraw/zinc/83/91/17/1036839117.db2.gz XNXFPPQGNJEYCY-GFCCVEGCSA-N 0 2 356.330 2.745 20 10 FFCDLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(O)c1O ZINC001256254742 1038455343 /nfs/dbraw/zinc/45/53/43/1038455343.db2.gz LRCFIQDFBJZORM-UHFFFAOYSA-N 0 2 359.407 2.861 20 10 FFCDLN COCCS(=O)(=O)Nc1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001259971978 1040323434 /nfs/dbraw/zinc/32/34/34/1040323434.db2.gz GXDPSZZHXQPKFM-UHFFFAOYSA-N 0 2 353.827 2.959 20 10 FFCDLN Cc1nn(C)c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc12 ZINC001260388037 1040571973 /nfs/dbraw/zinc/57/19/73/1040571973.db2.gz MRTFUAVQTWFLBQ-UHFFFAOYSA-N 0 2 359.436 2.687 20 10 FFCDLN O=C1CCCCc2cc(NS(=O)(=O)c3cccc4nonc43)ccc21 ZINC001260441806 1040592224 /nfs/dbraw/zinc/59/22/24/1040592224.db2.gz ZMZHBSIKWVFIRN-UHFFFAOYSA-N 0 2 357.391 2.933 20 10 FFCDLN Cc1cc(Br)cc(CN2CCC[C@]3(C2)C[N@H+](C)CCO3)c1O ZINC001279698970 1043491777 /nfs/dbraw/zinc/49/17/77/1043491777.db2.gz FNGQYWSBGDZJNW-QGZVFWFLSA-N 0 2 369.303 2.760 20 10 FFCDLN CC(=O)Nc1sc(NS(=O)(=O)c2cccnc2)nc1-c1ccccc1 ZINC000186668294 729367623 /nfs/dbraw/zinc/36/76/23/729367623.db2.gz GQCUUTDYCHWFLF-UHFFFAOYSA-N 0 2 374.447 2.964 20 10 FFCDLN Cc1cc(C)c(-c2csc(NS(=O)(=O)c3cnnn3C)n2)cc1C ZINC000863434772 730781279 /nfs/dbraw/zinc/78/12/79/730781279.db2.gz VLHPBRIZMBBGJF-UHFFFAOYSA-N 0 2 363.468 2.665 20 10 FFCDLN CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000895201182 734973653 /nfs/dbraw/zinc/97/36/53/734973653.db2.gz DNJFHMBSSQWKNI-LBPRGKRZSA-N 0 2 365.282 2.918 20 10 FFCDLN Cc1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c(F)cc1F ZINC000753362581 736060020 /nfs/dbraw/zinc/06/00/20/736060020.db2.gz FQDYXWMMMGGUJE-UHFFFAOYSA-N 0 2 368.405 2.911 20 10 FFCDLN CC1(C)Cc2cc(S(=O)(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc2O1 ZINC000753520213 736074352 /nfs/dbraw/zinc/07/43/52/736074352.db2.gz FKVVDWCPARNXEH-UHFFFAOYSA-N 0 2 364.379 2.815 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1O ZINC000753521917 736074744 /nfs/dbraw/zinc/07/47/44/736074744.db2.gz OKPOPDKUEUMZEY-UHFFFAOYSA-N 0 2 374.321 2.745 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccnn1C1CCC1 ZINC000903571592 736115801 /nfs/dbraw/zinc/11/58/01/736115801.db2.gz JKKWCEKRKQQGIQ-UHFFFAOYSA-N 0 2 361.452 2.927 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cs1 ZINC000761998967 736780726 /nfs/dbraw/zinc/78/07/26/736780726.db2.gz CXFDTHLQGNVTMK-UHFFFAOYSA-N 0 2 371.436 2.828 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000775286094 738078207 /nfs/dbraw/zinc/07/82/07/738078207.db2.gz CKYVWBVDTXNADI-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cnn1C ZINC000794016687 739840938 /nfs/dbraw/zinc/84/09/38/739840938.db2.gz KUVWYTCCIBREMA-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN O=C(NCCc1ccc(O)c(O)c1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194364730 971864072 /nfs/dbraw/zinc/86/40/72/971864072.db2.gz ZWLWQAARSXSKLC-UHFFFAOYSA-N 0 2 373.796 2.615 20 10 FFCDLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000162246272 969133969 /nfs/dbraw/zinc/13/39/69/969133969.db2.gz ZOQZBHJIFNAVLU-LLVKDONJSA-N 0 2 374.422 2.552 20 10 FFCDLN CC(C)[C@H](C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)N(C)C ZINC001183363366 1002241244 /nfs/dbraw/zinc/24/12/44/1002241244.db2.gz QKKDCFNWTPGZNM-GOSISDBHSA-N 0 2 366.417 2.692 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccncc2)cs1)c1ccc2n[nH]cc2c1 ZINC001185944271 1003122177 /nfs/dbraw/zinc/12/21/77/1003122177.db2.gz REEDOMKPQJVJNE-UHFFFAOYSA-N 0 2 357.420 2.882 20 10 FFCDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(N2CCOCC2)cc1 ZINC000133512110 1007152477 /nfs/dbraw/zinc/15/24/77/1007152477.db2.gz ZJKGIGYJTQPEJC-CYBMUJFWSA-N 0 2 371.393 2.628 20 10 FFCDLN CCc1n[nH]cc1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001190138340 1007466996 /nfs/dbraw/zinc/46/69/96/1007466996.db2.gz MVIMEFPSCLVWLS-UHFFFAOYSA-N 0 2 361.357 2.705 20 10 FFCDLN CC(C)COCC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001180753485 1009822137 /nfs/dbraw/zinc/82/21/37/1009822137.db2.gz HNXAFAOGZLNIEC-UHFFFAOYSA-N 0 2 353.374 2.779 20 10 FFCDLN C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756895534 1023765318 /nfs/dbraw/zinc/76/53/18/1023765318.db2.gz VTXDBOHISZCVFJ-NSHDSACASA-N 0 2 370.365 2.872 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001233306233 1036512221 /nfs/dbraw/zinc/51/22/21/1036512221.db2.gz KFFFMHGQUXAASS-JTQLQIEISA-N 0 2 370.243 2.742 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001233306233 1036512227 /nfs/dbraw/zinc/51/22/27/1036512227.db2.gz KFFFMHGQUXAASS-JTQLQIEISA-N 0 2 370.243 2.742 20 10 FFCDLN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001207242337 1037274051 /nfs/dbraw/zinc/27/40/51/1037274051.db2.gz CALYJTFCEOWPMH-CYBMUJFWSA-N 0 2 354.731 2.828 20 10 FFCDLN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001207242337 1037274068 /nfs/dbraw/zinc/27/40/68/1037274068.db2.gz CALYJTFCEOWPMH-CYBMUJFWSA-N 0 2 354.731 2.828 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001236669558 1038183137 /nfs/dbraw/zinc/18/31/37/1038183137.db2.gz OUHMPNIUGUFDCG-OAHLLOKOSA-N 0 2 355.232 2.538 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC001236669558 1038183141 /nfs/dbraw/zinc/18/31/41/1038183141.db2.gz OUHMPNIUGUFDCG-OAHLLOKOSA-N 0 2 355.232 2.538 20 10 FFCDLN CC(C)(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261072645 1040978766 /nfs/dbraw/zinc/97/87/66/1040978766.db2.gz BAFLDXHJIHKFRU-UHFFFAOYSA-N 0 2 367.814 2.904 20 10 FFCDLN CN(C)C(=O)c1[nH]nc2c1CN(Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC001279976386 1044021215 /nfs/dbraw/zinc/02/12/15/1044021215.db2.gz URBODEKEJQNAJJ-UHFFFAOYSA-N 0 2 369.252 2.682 20 10 FFCDLN O=[N+]([O-])c1ccc(O)c(CNc2ccc(C3CC3)c(-c3nn[nH]n3)c2)c1 ZINC001582804476 1079110403 /nfs/dbraw/zinc/11/04/03/1079110403.db2.gz UIZXWUOJRMZTDQ-UHFFFAOYSA-N 0 2 352.354 2.970 20 10 FFCDLN O=C1CCCN1c1ccccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000019095897 507156184 /nfs/dbraw/zinc/15/61/84/507156184.db2.gz VTSXCWWIOIAFAS-UHFFFAOYSA-N 0 2 374.447 2.619 20 10 FFCDLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000057497808 507279804 /nfs/dbraw/zinc/27/98/04/507279804.db2.gz UAYLFBMBMBXQCL-UHFFFAOYSA-N 0 2 362.436 2.759 20 10 FFCDLN O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166461 511294642 /nfs/dbraw/zinc/29/46/42/511294642.db2.gz YRPXKVMUYWIAML-JSGCOSHPSA-N 0 2 354.790 2.524 20 10 FFCDLN O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166461 511294647 /nfs/dbraw/zinc/29/46/47/511294647.db2.gz YRPXKVMUYWIAML-JSGCOSHPSA-N 0 2 354.790 2.524 20 10 FFCDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000272461616 511494995 /nfs/dbraw/zinc/49/49/95/511494995.db2.gz XRLLIPFBJXKHFX-OAHLLOKOSA-N 0 2 372.377 2.827 20 10 FFCDLN COc1cc(Br)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000366536665 512077588 /nfs/dbraw/zinc/07/75/88/512077588.db2.gz SPYWKHJTDJNQRU-MRXNPFEDSA-N 0 2 355.276 2.691 20 10 FFCDLN COc1cc(Br)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000366536665 512077594 /nfs/dbraw/zinc/07/75/94/512077594.db2.gz SPYWKHJTDJNQRU-MRXNPFEDSA-N 0 2 355.276 2.691 20 10 FFCDLN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)Cc1cccc2c1OCCO2 ZINC000739793119 600144864 /nfs/dbraw/zinc/14/48/64/600144864.db2.gz ABJGFNVPQRWDCY-UHFFFAOYSA-N 0 2 363.797 2.904 20 10 FFCDLN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)Cc1cccc2c1OCCO2 ZINC000739793119 600144866 /nfs/dbraw/zinc/14/48/66/600144866.db2.gz ABJGFNVPQRWDCY-UHFFFAOYSA-N 0 2 363.797 2.904 20 10 FFCDLN Cn1ccnc1-c1cccc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000192832704 729460527 /nfs/dbraw/zinc/46/05/27/729460527.db2.gz SJKBTDDKHYTUCL-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000748684481 735663638 /nfs/dbraw/zinc/66/36/38/735663638.db2.gz FBYZKJJYGWYUBK-UHFFFAOYSA-N 0 2 362.392 2.914 20 10 FFCDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000755020765 736227255 /nfs/dbraw/zinc/22/72/55/736227255.db2.gz WKDWZXGEVVRPEU-UHFFFAOYSA-N 0 2 367.339 2.626 20 10 FFCDLN O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc21 ZINC000917863293 737780414 /nfs/dbraw/zinc/78/04/14/737780414.db2.gz SLSVZKLOKYCBKF-UHFFFAOYSA-N 0 2 373.415 2.676 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3ncsc3c2)ccc1O ZINC000775289594 738079356 /nfs/dbraw/zinc/07/93/56/738079356.db2.gz XLVVKSFLWPXYQB-UHFFFAOYSA-N 0 2 351.365 2.711 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1O ZINC000821199644 742599447 /nfs/dbraw/zinc/59/94/47/742599447.db2.gz ZNCDKEMJAXNUFW-UHFFFAOYSA-N 0 2 369.742 2.896 20 10 FFCDLN COC(=O)c1n[nH]c2c1CN(Cc1cc(Cl)cc(Cl)c1O)CC2 ZINC000825016308 743195169 /nfs/dbraw/zinc/19/51/69/743195169.db2.gz ANSAKJHBDGJVCH-UHFFFAOYSA-N 0 2 356.209 2.767 20 10 FFCDLN COCc1cc(O)ccc1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000840915813 747223772 /nfs/dbraw/zinc/22/37/72/747223772.db2.gz TYQPHEFSVXHVFB-UHFFFAOYSA-N 0 2 353.444 2.734 20 10 FFCDLN O=C([O-])CC[N@@H+](Cc1cccc(Br)c1O)C1CCOCC1 ZINC000843040084 747753629 /nfs/dbraw/zinc/75/36/29/747753629.db2.gz FKFBNKBDMATWRA-UHFFFAOYSA-N 0 2 358.232 2.610 20 10 FFCDLN O=C([O-])CC[N@H+](Cc1cccc(Br)c1O)C1CCOCC1 ZINC000843040084 747753633 /nfs/dbraw/zinc/75/36/33/747753633.db2.gz FKFBNKBDMATWRA-UHFFFAOYSA-N 0 2 358.232 2.610 20 10 FFCDLN CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2[nH]c1=S ZINC001151891892 1032058990 /nfs/dbraw/zinc/05/89/90/1032058990.db2.gz DESGTWTYXLGCOD-NSHDSACASA-N 0 2 369.446 2.902 20 10 FFCDLN COc1ccc(O)c([C@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)c1 ZINC000173131614 985760171 /nfs/dbraw/zinc/76/01/71/985760171.db2.gz NCNKAFQSIZXVEX-LBPRGKRZSA-N 0 2 353.378 2.783 20 10 FFCDLN CCOc1cncc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC001597189887 987067359 /nfs/dbraw/zinc/06/73/59/987067359.db2.gz RWTIHPSANDTAMU-UHFFFAOYSA-N 0 2 350.802 2.926 20 10 FFCDLN CCOc1cncc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC001597189887 987067367 /nfs/dbraw/zinc/06/73/67/987067367.db2.gz RWTIHPSANDTAMU-UHFFFAOYSA-N 0 2 350.802 2.926 20 10 FFCDLN Oc1c(I)cccc1CN1CC(c2cccnc2)C1 ZINC001237782034 992716276 /nfs/dbraw/zinc/71/62/76/992716276.db2.gz CUTKLOVPHZKQLV-UHFFFAOYSA-N 0 2 366.202 2.991 20 10 FFCDLN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C(=O)[O-])cc1O ZINC001599532586 997684356 /nfs/dbraw/zinc/68/43/56/997684356.db2.gz SHGWZEJIVYZGDW-CQSZACIVSA-N 0 2 355.749 2.814 20 10 FFCDLN CN(C)c1ccc(N=Nc2cccc(C(=O)NCc3n[nH]c(=O)[nH]3)c2)cc1 ZINC001190974505 1007856390 /nfs/dbraw/zinc/85/63/90/1007856390.db2.gz JBOIRFJCTAHWDD-UHFFFAOYSA-N 0 2 365.397 2.922 20 10 FFCDLN COC(=O)c1ccc(O)c([C@@H](C)NCc2nncn2-c2ccccc2)c1 ZINC000756402816 1023704980 /nfs/dbraw/zinc/70/49/80/1023704980.db2.gz OPPFRIUNKZZKBG-CYBMUJFWSA-N 0 2 352.394 2.610 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)c1 ZINC000756402816 1023704985 /nfs/dbraw/zinc/70/49/85/1023704985.db2.gz OPPFRIUNKZZKBG-CYBMUJFWSA-N 0 2 352.394 2.610 20 10 FFCDLN CC[C@H](C)N1C[C@]2(CCN(Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968047 1033867639 /nfs/dbraw/zinc/86/76/39/1033867639.db2.gz XKHPPFVJJGVXTR-KPZWWZAWSA-N 0 2 370.852 2.787 20 10 FFCDLN CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277097660 1034516876 /nfs/dbraw/zinc/51/68/76/1034516876.db2.gz JTSGDSPKWMZJLJ-LJQANCHMSA-N 0 2 368.424 2.664 20 10 FFCDLN CCOCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277097660 1034516880 /nfs/dbraw/zinc/51/68/80/1034516880.db2.gz JTSGDSPKWMZJLJ-LJQANCHMSA-N 0 2 368.424 2.664 20 10 FFCDLN CCOCCN1C[C@]2(CC1=O)CCCCN2Cc1c(O)ccc(F)c1F ZINC001277097660 1034516888 /nfs/dbraw/zinc/51/68/88/1034516888.db2.gz JTSGDSPKWMZJLJ-LJQANCHMSA-N 0 2 368.424 2.664 20 10 FFCDLN CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001277097659 1034517497 /nfs/dbraw/zinc/51/74/97/1034517497.db2.gz JTSGDSPKWMZJLJ-IBGZPJMESA-N 0 2 368.424 2.664 20 10 FFCDLN CCOCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001277097659 1034517504 /nfs/dbraw/zinc/51/75/04/1034517504.db2.gz JTSGDSPKWMZJLJ-IBGZPJMESA-N 0 2 368.424 2.664 20 10 FFCDLN CCOCCN1C[C@@]2(CC1=O)CCCCN2Cc1c(O)ccc(F)c1F ZINC001277097659 1034517513 /nfs/dbraw/zinc/51/75/13/1034517513.db2.gz JTSGDSPKWMZJLJ-IBGZPJMESA-N 0 2 368.424 2.664 20 10 FFCDLN C[C@H]1CCc2n[nH]c(C(=O)NCc3cccc(Br)c3O)c2C1 ZINC001139974573 1035294247 /nfs/dbraw/zinc/29/42/47/1035294247.db2.gz HDZQLJFHRDUIEI-VIFPVBQESA-N 0 2 364.243 2.933 20 10 FFCDLN COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(O)cc(F)cc1F ZINC001140582111 1035664404 /nfs/dbraw/zinc/66/44/04/1035664404.db2.gz DDRPQGFSZCCQGS-CYBMUJFWSA-N 0 2 372.412 2.738 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001233305703 1036511552 /nfs/dbraw/zinc/51/15/52/1036511552.db2.gz QBEZDGWDUCZRLL-NXEZZACHSA-N 0 2 358.232 2.551 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCO[C@H](C(C)C)C2)c1 ZINC001233309176 1036513750 /nfs/dbraw/zinc/51/37/50/1036513750.db2.gz VWNZXLSTQGIQTC-AWEZNQCLSA-N 0 2 372.259 2.798 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCO[C@H](C(C)C)C2)c1 ZINC001233309176 1036513759 /nfs/dbraw/zinc/51/37/59/1036513759.db2.gz VWNZXLSTQGIQTC-AWEZNQCLSA-N 0 2 372.259 2.798 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001233309180 1036514890 /nfs/dbraw/zinc/51/48/90/1036514890.db2.gz WBJZNIVHXBYAAJ-CQSZACIVSA-N 0 2 370.243 2.552 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001233309180 1036514895 /nfs/dbraw/zinc/51/48/95/1036514895.db2.gz WBJZNIVHXBYAAJ-CQSZACIVSA-N 0 2 370.243 2.552 20 10 FFCDLN CCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251409187 1039113874 /nfs/dbraw/zinc/11/38/74/1039113874.db2.gz MSAFQVIVXMSLDB-UHFFFAOYSA-N 0 2 367.298 2.805 20 10 FFCDLN CCCCS(=O)(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001253855554 1040415947 /nfs/dbraw/zinc/41/59/47/1040415947.db2.gz NXFFEPWCOZSJPV-UHFFFAOYSA-N 0 2 359.403 2.709 20 10 FFCDLN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2)no1 ZINC001260388102 1040571440 /nfs/dbraw/zinc/57/14/40/1040571440.db2.gz RIPVDKPJMQKALA-UHFFFAOYSA-N 0 2 373.419 2.851 20 10 FFCDLN COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)nc1 ZINC001237939289 1043446758 /nfs/dbraw/zinc/44/67/58/1043446758.db2.gz AQAVZJAWQBKIFG-LLVKDONJSA-N 0 2 353.781 2.637 20 10 FFCDLN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1cccc2nsnc21 ZINC000045774209 507016668 /nfs/dbraw/zinc/01/66/68/507016668.db2.gz LLUMKSZPWOGAOJ-UHFFFAOYSA-N 0 2 357.420 2.678 20 10 FFCDLN CS(=O)(=O)CC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000292691779 511686347 /nfs/dbraw/zinc/68/63/47/511686347.db2.gz BLHDGWNYFGPKCY-UHFFFAOYSA-N 0 2 352.283 2.956 20 10 FFCDLN C[N@H+](CC(F)F)C1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830706253 601259987 /nfs/dbraw/zinc/25/99/87/601259987.db2.gz HHEXSZUFQFGKJK-HWKANZROSA-N 0 2 369.368 2.858 20 10 FFCDLN C[N@@H+](CC(F)F)C1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830706253 601259988 /nfs/dbraw/zinc/25/99/88/601259988.db2.gz HHEXSZUFQFGKJK-HWKANZROSA-N 0 2 369.368 2.858 20 10 FFCDLN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000063849087 728138899 /nfs/dbraw/zinc/13/88/99/728138899.db2.gz BFKBBXSCRVXUGY-UHFFFAOYSA-N 0 2 360.482 2.701 20 10 FFCDLN COc1ccnc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000180014670 729200671 /nfs/dbraw/zinc/20/06/71/729200671.db2.gz VTJZJIZBCZYVRT-UHFFFAOYSA-N 0 2 369.252 2.820 20 10 FFCDLN CCCCn1cc(S(=O)(=O)Nc2ccc(O)cc2COC)c(C)n1 ZINC000872375946 731758905 /nfs/dbraw/zinc/75/89/05/731758905.db2.gz ZNJQFOFSDYHOET-UHFFFAOYSA-N 0 2 353.444 2.644 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000782469057 738724540 /nfs/dbraw/zinc/72/45/40/738724540.db2.gz LJWVFJBNTMOFGN-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000762002052 736781700 /nfs/dbraw/zinc/78/17/00/736781700.db2.gz ZRKSMMSDMPKLOC-UHFFFAOYSA-N 0 2 352.368 2.888 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000769847856 737573501 /nfs/dbraw/zinc/57/35/01/737573501.db2.gz ZOOBHUOJKADBPI-UHFFFAOYSA-N 0 2 352.416 2.966 20 10 FFCDLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1C(N)=O ZINC000917897625 737783035 /nfs/dbraw/zinc/78/30/35/737783035.db2.gz ALCJVBXQOOAMJB-UHFFFAOYSA-N 0 2 363.420 2.611 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(OC)ccc1Cl ZINC000775286940 738078575 /nfs/dbraw/zinc/07/85/75/738078575.db2.gz REDNNANKSXXRCO-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)c(F)cc2N1 ZINC000776750897 738229492 /nfs/dbraw/zinc/22/94/92/738229492.db2.gz NKWONHITMFFZKV-UHFFFAOYSA-N 0 2 370.789 2.870 20 10 FFCDLN O=C(OCCCF)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785413331 738962242 /nfs/dbraw/zinc/96/22/42/738962242.db2.gz OXAKYNDNKCFGLF-UHFFFAOYSA-N 0 2 359.400 2.771 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cnn1C ZINC000794001288 739836281 /nfs/dbraw/zinc/83/62/81/739836281.db2.gz CIUUDWHKEHYMCL-UHFFFAOYSA-N 0 2 362.436 2.545 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cnn1C ZINC000794001366 739836538 /nfs/dbraw/zinc/83/65/38/739836538.db2.gz DKGJCGXXAWXWRC-UHFFFAOYSA-N 0 2 360.464 2.751 20 10 FFCDLN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c(Cl)n1 ZINC000800834643 740553523 /nfs/dbraw/zinc/55/35/23/740553523.db2.gz NPFZLKWOILAUEY-UHFFFAOYSA-N 0 2 367.858 2.681 20 10 FFCDLN COc1ccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3O)CC2)cc1 ZINC000877522642 1014611557 /nfs/dbraw/zinc/61/15/57/1014611557.db2.gz QJODFYXNBRUQEV-UHFFFAOYSA-N 0 2 362.376 2.637 20 10 FFCDLN O=S1(=O)CC[C@@H](CF)C12CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203581938 1002477725 /nfs/dbraw/zinc/47/77/25/1002477725.db2.gz HQYNLMHQCMNADY-JTQLQIEISA-N 0 2 368.257 2.658 20 10 FFCDLN COC(=O)c1cc2cc(NC(=O)c3ccc(O)c(O)c3Cl)cnc2[nH]1 ZINC001193219368 1004407206 /nfs/dbraw/zinc/40/72/06/1004407206.db2.gz GOOGXACORUQCMG-UHFFFAOYSA-N 0 2 361.741 2.666 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)ccc2cccnc21 ZINC000775286964 1007237407 /nfs/dbraw/zinc/23/74/07/1007237407.db2.gz SEWQGOVLAXUNMQ-UHFFFAOYSA-N 0 2 372.402 2.836 20 10 FFCDLN CC(=O)C[C@H](C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001181256329 1010059676 /nfs/dbraw/zinc/05/96/76/1010059676.db2.gz MGPZPQHBKXAJJT-JTQLQIEISA-N 0 2 351.358 2.721 20 10 FFCDLN COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(O)c1 ZINC001203622096 1030788505 /nfs/dbraw/zinc/78/85/05/1030788505.db2.gz ORDCKXPHQMNLTQ-UHFFFAOYSA-N 0 2 372.465 2.861 20 10 FFCDLN COC(=O)[C@@H](C)Oc1c(=O)c2ccc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001228365489 1036073414 /nfs/dbraw/zinc/07/34/14/1036073414.db2.gz MNZHDADMPLDJKZ-SECBINFHSA-N 0 2 372.329 2.517 20 10 FFCDLN C[N@@H+](Cc1c(O)ccc(F)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332416 1036538802 /nfs/dbraw/zinc/53/88/02/1036538802.db2.gz KPFJSZOXWUHWKW-LBPRGKRZSA-N 0 2 372.412 2.738 20 10 FFCDLN C[N@H+](Cc1c(O)ccc(F)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332416 1036538806 /nfs/dbraw/zinc/53/88/06/1036538806.db2.gz KPFJSZOXWUHWKW-LBPRGKRZSA-N 0 2 372.412 2.738 20 10 FFCDLN C[N@@H+](Cc1c([O-])ccc(F)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332416 1036538820 /nfs/dbraw/zinc/53/88/20/1036538820.db2.gz KPFJSZOXWUHWKW-LBPRGKRZSA-N 0 2 372.412 2.738 20 10 FFCDLN C[N@H+](Cc1c([O-])ccc(F)c1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001233332416 1036538831 /nfs/dbraw/zinc/53/88/31/1036538831.db2.gz KPFJSZOXWUHWKW-LBPRGKRZSA-N 0 2 372.412 2.738 20 10 FFCDLN O=C([O-])c1ccc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001231568220 1037691664 /nfs/dbraw/zinc/69/16/64/1037691664.db2.gz JBBPKYCLGGCMCQ-MRXNPFEDSA-N 0 2 354.397 2.786 20 10 FFCDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1O ZINC001259511097 1040076727 /nfs/dbraw/zinc/07/67/27/1040076727.db2.gz CMIHNNHAKCVFNJ-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN CC1(C)CC(=O)Nc2cc(NS(=O)(=O)c3cccc4nonc43)ccc21 ZINC001260441650 1040592601 /nfs/dbraw/zinc/59/26/01/1040592601.db2.gz UTYVVHDDANMNFI-UHFFFAOYSA-N 0 2 372.406 2.643 20 10 FFCDLN COc1cc(C)cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261072758 1040979200 /nfs/dbraw/zinc/97/92/00/1040979200.db2.gz FNEKRTASXKFWKV-UHFFFAOYSA-N 0 2 353.787 2.994 20 10 FFCDLN COc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1Br ZINC001237418166 1043150285 /nfs/dbraw/zinc/15/02/85/1043150285.db2.gz WOXXGHGTQIRPLN-SMDDNHRTSA-N 0 2 355.276 2.737 20 10 FFCDLN CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC001320389418 1045400486 /nfs/dbraw/zinc/40/04/86/1045400486.db2.gz FOKSADKLBYLBFW-UHFFFAOYSA-N 0 2 371.393 2.662 20 10 FFCDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2c(O)cccc2F)=N1 ZINC001456026964 1059988736 /nfs/dbraw/zinc/98/87/36/1059988736.db2.gz CJMNOKKMEIHXAO-UHFFFAOYSA-N 0 2 359.332 2.800 20 10 FFCDLN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001462521884 1061657698 /nfs/dbraw/zinc/65/76/98/1061657698.db2.gz TUDGXBINCNYCHK-CYBMUJFWSA-N 0 2 354.731 2.828 20 10 FFCDLN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001462521884 1061657705 /nfs/dbraw/zinc/65/77/05/1061657705.db2.gz TUDGXBINCNYCHK-CYBMUJFWSA-N 0 2 354.731 2.828 20 10 FFCDLN COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000019100059 507156266 /nfs/dbraw/zinc/15/62/66/507156266.db2.gz HWEYCDKLRZMBDW-UHFFFAOYSA-N 0 2 363.420 2.587 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2 ZINC000375605709 512417366 /nfs/dbraw/zinc/41/73/66/512417366.db2.gz KDXOZDZGCSJDFH-UHFFFAOYSA-N 0 2 362.436 2.545 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2 ZINC000370374922 512899823 /nfs/dbraw/zinc/89/98/23/512899823.db2.gz QAXDQPRVOCNBLP-UHFFFAOYSA-N 0 2 362.436 2.720 20 10 FFCDLN COc1cc(F)c(F)cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000562231178 516969260 /nfs/dbraw/zinc/96/92/60/516969260.db2.gz KIRDNHFHAGFAOX-UHFFFAOYSA-N 0 2 357.363 2.779 20 10 FFCDLN CCCN(CCC)c1ccc(C[NH+]2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000833651376 605556922 /nfs/dbraw/zinc/55/69/22/605556922.db2.gz ZEILIFGWDHFABT-UHFFFAOYSA-N 0 2 357.458 2.660 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1cn(C)nc1C(C)(C)C ZINC000872367453 731757189 /nfs/dbraw/zinc/75/71/89/731757189.db2.gz XURFAZGOECXEAN-UHFFFAOYSA-N 0 2 355.485 2.946 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cccc3nsnc32)c(C)c(OC)c1 ZINC000669648514 733257827 /nfs/dbraw/zinc/25/78/27/733257827.db2.gz VCTIPZBQVQMIOZ-UHFFFAOYSA-N 0 2 365.436 2.818 20 10 FFCDLN CC(C)c1cc(NS(=O)(=O)c2cn(C)nc2Br)ccc1O ZINC000882799409 733296763 /nfs/dbraw/zinc/29/67/63/733296763.db2.gz BWKVGIUDVUSROY-UHFFFAOYSA-N 0 2 374.260 2.812 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)coc1C(=O)N(C)C ZINC000882799698 733296788 /nfs/dbraw/zinc/29/67/88/733296788.db2.gz LKWBQNRNXJTRNJ-UHFFFAOYSA-N 0 2 366.439 2.920 20 10 FFCDLN CO[C@H]1Cc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2C1 ZINC000783865485 738843694 /nfs/dbraw/zinc/84/36/94/738843694.db2.gz AJZOVARMMKZBIT-ZDUSSCGKSA-N 0 2 361.448 2.606 20 10 FFCDLN Cn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000895372999 734996877 /nfs/dbraw/zinc/99/68/77/734996877.db2.gz FKZMKJZCLOUQBF-LFVRLGFBSA-N 0 2 374.293 2.738 20 10 FFCDLN Cc1cc(F)cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000747859634 735599210 /nfs/dbraw/zinc/59/92/10/735599210.db2.gz COKPXDWNWAXYJQ-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000765035298 737074518 /nfs/dbraw/zinc/07/45/18/737074518.db2.gz ONWMKIZNMPPZGW-UHFFFAOYSA-N 0 2 360.395 2.618 20 10 FFCDLN O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000918740687 737822525 /nfs/dbraw/zinc/82/25/25/737822525.db2.gz XCADCQRLQYOFDS-UHFFFAOYSA-N 0 2 373.415 2.676 20 10 FFCDLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776748787 738229409 /nfs/dbraw/zinc/22/94/09/738229409.db2.gz HAODAGBCUDXLFP-UHFFFAOYSA-N 0 2 359.787 2.843 20 10 FFCDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000778567820 738394583 /nfs/dbraw/zinc/39/45/83/738394583.db2.gz LVMQCNBCIXRDBC-UHFFFAOYSA-N 0 2 359.787 2.788 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cccc2nsnc21 ZINC000808113490 741187948 /nfs/dbraw/zinc/18/79/48/741187948.db2.gz ARIRUBFYKJFSII-UHFFFAOYSA-N 0 2 359.791 2.990 20 10 FFCDLN CCS(=O)(=O)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000825316773 743247520 /nfs/dbraw/zinc/24/75/20/743247520.db2.gz SXTXJNHCKQUEJN-UHFFFAOYSA-N 0 2 350.396 2.847 20 10 FFCDLN Oc1c(Br)cc(Cl)cc1CN1CCN(CCF)CC1 ZINC000708074778 966664405 /nfs/dbraw/zinc/66/44/05/966664405.db2.gz FSDZFYXSEBQEAO-UHFFFAOYSA-N 0 2 351.647 2.895 20 10 FFCDLN O=C(CCn1cccc1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001176935668 1013801549 /nfs/dbraw/zinc/80/15/49/1013801549.db2.gz ZUMQLLMTVYFAPA-UHFFFAOYSA-N 0 2 360.369 2.998 20 10 FFCDLN COc1ccc(O)c(CNC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c1 ZINC000177685774 969305326 /nfs/dbraw/zinc/30/53/26/969305326.db2.gz FYIGHQDGZKANCX-UHFFFAOYSA-N 0 2 371.368 2.670 20 10 FFCDLN CN(C)c1ccc(CN(C)C(=O)C2=NN(c3ccccc3)CC2=O)cc1 ZINC000072857337 983892582 /nfs/dbraw/zinc/89/25/82/983892582.db2.gz RADFIKAAICSGKK-UHFFFAOYSA-N 0 2 350.422 2.916 20 10 FFCDLN COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC001599405854 997298924 /nfs/dbraw/zinc/29/89/24/997298924.db2.gz MNHMEBNFUZRTAL-UHFFFAOYSA-N 0 2 367.348 2.774 20 10 FFCDLN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC001599405854 997298937 /nfs/dbraw/zinc/29/89/37/997298937.db2.gz MNHMEBNFUZRTAL-UHFFFAOYSA-N 0 2 367.348 2.774 20 10 FFCDLN [O-]c1cc(F)c(Br)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001144299938 998286546 /nfs/dbraw/zinc/28/65/46/998286546.db2.gz MWHGWBXNWVKKIJ-CYBMUJFWSA-N 0 2 373.266 2.590 20 10 FFCDLN COCN1C(=O)CCc2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000789563993 1002129764 /nfs/dbraw/zinc/12/97/64/1002129764.db2.gz NAZMVAFILXLSGF-UHFFFAOYSA-N 0 2 357.366 2.796 20 10 FFCDLN Cc1[nH]nc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1C ZINC001191123363 1007895374 /nfs/dbraw/zinc/89/53/74/1007895374.db2.gz LJPMHMFGPCYNPN-UHFFFAOYSA-N 0 2 361.357 2.760 20 10 FFCDLN Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1N1CCOCC1=O ZINC001179701742 1009417352 /nfs/dbraw/zinc/41/73/52/1009417352.db2.gz WHHSJOOGYBTGLY-UHFFFAOYSA-N 0 2 357.366 2.584 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CCO[C@H](CCF)C2)c1[O-] ZINC000863317710 1010172263 /nfs/dbraw/zinc/17/22/63/1010172263.db2.gz OTCXNZZABIXSTP-OAHLLOKOSA-N 0 2 359.397 2.889 20 10 FFCDLN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CCO[C@H](CCF)C2)c1[O-] ZINC000863317710 1010172268 /nfs/dbraw/zinc/17/22/68/1010172268.db2.gz OTCXNZZABIXSTP-OAHLLOKOSA-N 0 2 359.397 2.889 20 10 FFCDLN [O-]c1c(F)cccc1C[NH+]1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001138127792 1033811457 /nfs/dbraw/zinc/81/14/57/1033811457.db2.gz QLYCKIIJGHQVLH-UHFFFAOYSA-N 0 2 356.323 2.662 20 10 FFCDLN CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097626 1034517525 /nfs/dbraw/zinc/51/75/25/1034517525.db2.gz JFEMRWFNSZTGQI-IBGZPJMESA-N 0 2 368.424 2.521 20 10 FFCDLN CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097626 1034517534 /nfs/dbraw/zinc/51/75/34/1034517534.db2.gz JFEMRWFNSZTGQI-IBGZPJMESA-N 0 2 368.424 2.521 20 10 FFCDLN CCCCN1C[C@@]2(CC1=O)COCCN(Cc1c(O)ccc(F)c1F)C2 ZINC001277097626 1034517540 /nfs/dbraw/zinc/51/75/40/1034517540.db2.gz JFEMRWFNSZTGQI-IBGZPJMESA-N 0 2 368.424 2.521 20 10 FFCDLN CCCCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001277097626 1034517556 /nfs/dbraw/zinc/51/75/56/1034517556.db2.gz JFEMRWFNSZTGQI-IBGZPJMESA-N 0 2 368.424 2.521 20 10 FFCDLN O=C1CC(Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227034544 1034915764 /nfs/dbraw/zinc/91/57/64/1034915764.db2.gz VQXJEEIDMDKPHE-UHFFFAOYSA-N 0 2 354.314 2.687 20 10 FFCDLN Oc1cc(F)cc(F)c1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001140580652 1035658635 /nfs/dbraw/zinc/65/86/35/1035658635.db2.gz CDHBOOSVFXBTPW-UHFFFAOYSA-N 0 2 364.396 2.594 20 10 FFCDLN Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@H](C)C[NH+](C)C)c1C2=O ZINC001227995034 1035859986 /nfs/dbraw/zinc/85/99/86/1035859986.db2.gz QZLHNVNPRDVAKO-LLVKDONJSA-N 0 2 355.390 2.511 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001233305704 1036511584 /nfs/dbraw/zinc/51/15/84/1036511584.db2.gz QBEZDGWDUCZRLL-UWVGGRQHSA-N 0 2 358.232 2.551 20 10 FFCDLN CC(=O)[C@H](C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229699560 1036838761 /nfs/dbraw/zinc/83/87/61/1036838761.db2.gz NLGKGVLERKEESQ-JTQLQIEISA-N 0 2 356.330 2.933 20 10 FFCDLN O=S(=O)(Nc1ccc(C2CCOCC2)cc1)c1cccc2nonc21 ZINC001260440944 1040592733 /nfs/dbraw/zinc/59/27/33/1040592733.db2.gz AWEODUCENALABW-UHFFFAOYSA-N 0 2 359.407 2.918 20 10 FFCDLN O=S(=O)(Nc1ccc2cnoc2c1)c1ccc(Cl)c2nonc21 ZINC001261073261 1040981917 /nfs/dbraw/zinc/98/19/17/1040981917.db2.gz UXTJOLIYWKCFRC-UHFFFAOYSA-N 0 2 350.743 2.818 20 10 FFCDLN COc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1Br ZINC001237418164 1043149991 /nfs/dbraw/zinc/14/99/91/1043149991.db2.gz WOXXGHGTQIRPLN-FZMZJTMJSA-N 0 2 355.276 2.737 20 10 FFCDLN COc1ccc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000194409742 510350267 /nfs/dbraw/zinc/35/02/67/510350267.db2.gz TWCSDMBLEHGXCD-UHFFFAOYSA-N 0 2 371.393 2.662 20 10 FFCDLN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)c(O)c(Cl)c1 ZINC000274437449 511834904 /nfs/dbraw/zinc/83/49/04/511834904.db2.gz GTZBDTQOYRZWNS-UHFFFAOYSA-N 0 2 364.804 2.951 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cn2c(n1)CCCC2 ZINC000376167878 512692498 /nfs/dbraw/zinc/69/24/98/512692498.db2.gz UBEZYKFNQYMPGA-UHFFFAOYSA-N 0 2 361.452 2.539 20 10 FFCDLN O=S(=O)(Nc1ccc([C@@H]2CCOC2)cc1)c1cccc2nsnc21 ZINC000580874527 519400973 /nfs/dbraw/zinc/40/09/73/519400973.db2.gz SJXTUYOQZVOMFJ-GFCCVEGCSA-N 0 2 361.448 2.996 20 10 FFCDLN Cc1cc(C(=O)C[NH+]2CCC(C)(O)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859505 601898080 /nfs/dbraw/zinc/89/80/80/601898080.db2.gz PXMHIXWGXVNJCP-UHFFFAOYSA-N 0 2 370.449 2.822 20 10 FFCDLN C[C@]12CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877814884 732438809 /nfs/dbraw/zinc/43/88/09/732438809.db2.gz HIGGANLQGJVUTP-GASCZTMLSA-N 0 2 364.294 2.956 20 10 FFCDLN Cc1cc(Br)c(O)c(CN(C)CC(C)(C)S(C)(=O)=O)c1 ZINC000781907185 738670991 /nfs/dbraw/zinc/67/09/91/738670991.db2.gz FXNPEJPGLIWGRG-UHFFFAOYSA-N 0 2 364.305 2.718 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c1 ZINC000781907185 738670993 /nfs/dbraw/zinc/67/09/93/738670993.db2.gz FXNPEJPGLIWGRG-UHFFFAOYSA-N 0 2 364.305 2.718 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c1 ZINC000781907185 738670994 /nfs/dbraw/zinc/67/09/94/738670994.db2.gz FXNPEJPGLIWGRG-UHFFFAOYSA-N 0 2 364.305 2.718 20 10 FFCDLN CO[C@@H]1Cc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2C1 ZINC000783865483 738843742 /nfs/dbraw/zinc/84/37/42/738843742.db2.gz AJZOVARMMKZBIT-CYBMUJFWSA-N 0 2 361.448 2.606 20 10 FFCDLN O=S(=O)(Nc1ccccc1[C@H](O)C(F)(F)F)c1cccc2nonc21 ZINC000758164333 736457464 /nfs/dbraw/zinc/45/74/64/736457464.db2.gz IYQNBRLHSIFLCA-ZDUSSCGKSA-N 0 2 373.312 2.619 20 10 FFCDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(F)c1 ZINC000794593822 739908187 /nfs/dbraw/zinc/90/81/87/739908187.db2.gz ZANPSSAWZUSRTA-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000803212838 740775873 /nfs/dbraw/zinc/77/58/73/740775873.db2.gz IQDLBGUWQPCQJA-UHFFFAOYSA-N 0 2 367.155 2.699 20 10 FFCDLN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC001599502144 997143041 /nfs/dbraw/zinc/14/30/41/997143041.db2.gz SUFSZEYJCVWKKT-UHFFFAOYSA-N 0 2 373.380 2.999 20 10 FFCDLN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)CC2 ZINC001599502144 997143044 /nfs/dbraw/zinc/14/30/44/997143044.db2.gz SUFSZEYJCVWKKT-UHFFFAOYSA-N 0 2 373.380 2.999 20 10 FFCDLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cccc3nonc32)c1 ZINC000771906168 1001245477 /nfs/dbraw/zinc/24/54/77/1001245477.db2.gz VKNYUCBMAQPTTC-UHFFFAOYSA-N 0 2 369.406 2.826 20 10 FFCDLN Cc1cnncc1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001192934863 1004331978 /nfs/dbraw/zinc/33/19/78/1004331978.db2.gz AKRLTLTUSKQPJN-UHFFFAOYSA-N 0 2 359.341 2.518 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cc(F)c[nH]1 ZINC001188485572 1006571850 /nfs/dbraw/zinc/57/18/50/1006571850.db2.gz DDIMAZMQLMQUNQ-UHFFFAOYSA-N 0 2 350.305 2.887 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2ccc(C)nc21 ZINC000775287413 1007238677 /nfs/dbraw/zinc/23/86/77/1007238677.db2.gz LFKRJNAHTOAXPI-UHFFFAOYSA-N 0 2 372.402 2.836 20 10 FFCDLN COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392311 1023704185 /nfs/dbraw/zinc/70/41/85/1023704185.db2.gz NJQZXICEZJTHNK-QWHCGFSZSA-N 0 2 358.442 2.909 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392311 1023704191 /nfs/dbraw/zinc/70/41/91/1023704191.db2.gz NJQZXICEZJTHNK-QWHCGFSZSA-N 0 2 358.442 2.909 20 10 FFCDLN Cc1noc([C@@H]2C[C@@H]3CCN(Cc4cc(F)c(F)cc4O)C[C@H]3O2)n1 ZINC001142512925 1030562924 /nfs/dbraw/zinc/56/29/24/1030562924.db2.gz PXCIIXJCFSCHPZ-CIISACIHSA-N 0 2 351.353 2.714 20 10 FFCDLN COC(=O)[C@@H](C)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 ZINC001227029085 1034914091 /nfs/dbraw/zinc/91/40/91/1034914091.db2.gz AQONJNUHKCHBHZ-SECBINFHSA-N 0 2 372.329 2.517 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(OC[C@@H]3COCO3)c12 ZINC001227507316 1035588176 /nfs/dbraw/zinc/58/81/76/1035588176.db2.gz WNYFSRQBSOIUSB-LBPRGKRZSA-N 0 2 356.330 2.623 20 10 FFCDLN Cn1cc2c(n1)CN(Cc1ccc(F)c(F)c1O)C[C@@H]2COCC1CC1 ZINC001233074956 1036320821 /nfs/dbraw/zinc/32/08/21/1036320821.db2.gz PDLRKVHGCWNNCA-CQSZACIVSA-N 0 2 363.408 2.930 20 10 FFCDLN CCCOC1CN(Cc2cc(C(=O)OC)cc(Br)c2O)C1 ZINC001233307769 1036511333 /nfs/dbraw/zinc/51/13/33/1036511333.db2.gz PSFVPTHPKWDZPC-UHFFFAOYSA-N 0 2 358.232 2.552 20 10 FFCDLN COC[C@@H]1Cn2nccc2C[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418202 1036610298 /nfs/dbraw/zinc/61/02/98/1036610298.db2.gz XMMHPIDAHWMBLU-LBPRGKRZSA-N 0 2 355.360 2.886 20 10 FFCDLN COC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418202 1036610304 /nfs/dbraw/zinc/61/03/04/1036610304.db2.gz XMMHPIDAHWMBLU-LBPRGKRZSA-N 0 2 355.360 2.886 20 10 FFCDLN O=C1CCc2ccc(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc21 ZINC001261070945 1040974869 /nfs/dbraw/zinc/97/48/69/1040974869.db2.gz DVHVKTGHVANQJD-UHFFFAOYSA-N 0 2 363.782 2.806 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)cc(CO)c1)c1ccc(Cl)c2nonc21 ZINC001261073477 1040981978 /nfs/dbraw/zinc/98/19/78/1040981978.db2.gz WMNIAXQLZUCAQC-UHFFFAOYSA-N 0 2 374.205 2.823 20 10 FFCDLN O=C(NCc1cccc(O)c1O)c1cc(Br)cc(F)c1O ZINC001303195180 1051300671 /nfs/dbraw/zinc/30/06/71/1051300671.db2.gz RNGIKQIHGULQJD-UHFFFAOYSA-N 0 2 356.147 2.635 20 10 FFCDLN CNC(=O)COc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000281161345 511743002 /nfs/dbraw/zinc/74/30/02/511743002.db2.gz PDZQJXOMPVPCRJ-LBPRGKRZSA-N 0 2 359.382 2.907 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc2c(c1)OCCO2 ZINC000127816213 728707419 /nfs/dbraw/zinc/70/74/19/728707419.db2.gz WRKFEXNSIHSYMY-UHFFFAOYSA-N 0 2 364.404 2.975 20 10 FFCDLN O=C(NCCCSc1nccs1)C1=NN(c2ccccc2)CC1=O ZINC000173561604 729050296 /nfs/dbraw/zinc/05/02/96/729050296.db2.gz XMTJRAAWIJURQZ-UHFFFAOYSA-N 0 2 360.464 2.947 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000779460154 738466322 /nfs/dbraw/zinc/46/63/22/738466322.db2.gz KSYJJGGQOCNCJE-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN CCc1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)s1 ZINC000727246232 734473685 /nfs/dbraw/zinc/47/36/85/734473685.db2.gz QSXRQHWQRMUNMD-UHFFFAOYSA-N 0 2 354.482 2.968 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccc4ncccc4c3)n2)cn1 ZINC000747860452 735599064 /nfs/dbraw/zinc/59/90/64/735599064.db2.gz XYAGTJCOLZDOHS-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN COc1c(C)cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000753522753 736074766 /nfs/dbraw/zinc/07/47/66/736074766.db2.gz TWMRNRWKAPVJME-UHFFFAOYSA-N 0 2 352.368 2.727 20 10 FFCDLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761998977 736781182 /nfs/dbraw/zinc/78/11/82/736781182.db2.gz DURDECLPOXNABD-UHFFFAOYSA-N 0 2 365.407 2.767 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)c1[nH]nc2c1CCCC2 ZINC000765756875 737154680 /nfs/dbraw/zinc/15/46/80/737154680.db2.gz NRHIOEUIHBPSSA-UHFFFAOYSA-N 0 2 350.216 2.687 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000769849336 737573468 /nfs/dbraw/zinc/57/34/68/737573468.db2.gz RDQSDLMERDFGRP-UHFFFAOYSA-N 0 2 352.416 2.966 20 10 FFCDLN CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000775286038 738078099 /nfs/dbraw/zinc/07/80/99/738078099.db2.gz KVYYHWOCJDETSE-UHFFFAOYSA-N 0 2 352.368 2.888 20 10 FFCDLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000776751933 738229985 /nfs/dbraw/zinc/22/99/85/738229985.db2.gz ZGDINHHPHNGOOS-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000790408655 739449521 /nfs/dbraw/zinc/44/95/21/739449521.db2.gz DQTRUSCYNGPADO-UHFFFAOYSA-N 0 2 365.407 2.687 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000790411863 739450267 /nfs/dbraw/zinc/45/02/67/739450267.db2.gz RFKHYIBAPMBXHO-UHFFFAOYSA-N 0 2 358.803 2.649 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000800839915 740554282 /nfs/dbraw/zinc/55/42/82/740554282.db2.gz UZVRKECNFLRMDP-UHFFFAOYSA-N 0 2 365.407 2.605 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)c1cn[nH]c1-c1ccccn1 ZINC000811460037 741525768 /nfs/dbraw/zinc/52/57/68/741525768.db2.gz VSWLHAZLHAKZRM-UHFFFAOYSA-N 0 2 373.210 2.870 20 10 FFCDLN O=S(=O)(CCOCC(F)(F)F)Nc1cc(Cl)c(O)cc1F ZINC000811701944 741549303 /nfs/dbraw/zinc/54/93/03/741549303.db2.gz JEBHLQGJSYPKFW-UHFFFAOYSA-N 0 2 351.705 2.505 20 10 FFCDLN CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000896980108 973114478 /nfs/dbraw/zinc/11/44/78/973114478.db2.gz NRCKHLFOIORMBS-SFHVURJKSA-N 0 2 372.412 2.522 20 10 FFCDLN CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000896980108 973114499 /nfs/dbraw/zinc/11/44/99/973114499.db2.gz NRCKHLFOIORMBS-SFHVURJKSA-N 0 2 372.412 2.522 20 10 FFCDLN CCOc1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)n1 ZINC001597153478 986937163 /nfs/dbraw/zinc/93/71/63/986937163.db2.gz JBBRFNYRHWTHFT-UHFFFAOYSA-N 0 2 350.802 2.926 20 10 FFCDLN CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)n1 ZINC001597153478 986937173 /nfs/dbraw/zinc/93/71/73/986937173.db2.gz JBBRFNYRHWTHFT-UHFFFAOYSA-N 0 2 350.802 2.926 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000779459731 1023918097 /nfs/dbraw/zinc/91/80/97/1023918097.db2.gz FWEFGEJKEJMQHW-UHFFFAOYSA-N 0 2 372.402 2.836 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)C1CCOCC1 ZINC001143017509 1031157832 /nfs/dbraw/zinc/15/78/32/1031157832.db2.gz DVTAWYCAJZUZSS-UHFFFAOYSA-N 0 2 351.358 2.533 20 10 FFCDLN Oc1cc(F)cc(F)c1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001140581744 1035664763 /nfs/dbraw/zinc/66/47/63/1035664763.db2.gz YWRSZPKNVDUZFC-KVSKMBFKSA-N 0 2 362.376 2.876 20 10 FFCDLN Oc1c(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)ccc(F)c1F ZINC001233076504 1036323799 /nfs/dbraw/zinc/32/37/99/1036323799.db2.gz PQYPHGYILFZGRX-TXPKVOOTSA-N 0 2 362.376 2.876 20 10 FFCDLN COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1ccccc1Cl ZINC001256317238 1038476910 /nfs/dbraw/zinc/47/69/10/1038476910.db2.gz UOHNZDNKDQOKMO-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN O=C(Nc1cccnc1)N1CCC12CN(Cc1c(F)ccc(F)c1O)C2 ZINC001278687179 1039781025 /nfs/dbraw/zinc/78/10/25/1039781025.db2.gz KRZRJQIVAKRZRK-UHFFFAOYSA-N 0 2 360.364 2.558 20 10 FFCDLN CC[C@@H](C)S(=O)(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001260740822 1040762400 /nfs/dbraw/zinc/76/24/00/1040762400.db2.gz WCFWZWLZAMOWMC-SNVBAGLBSA-N 0 2 359.403 2.708 20 10 FFCDLN O=C1CCc2c1cccc2NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261071366 1040977868 /nfs/dbraw/zinc/97/78/68/1040977868.db2.gz ZTQQDYPFMUYWDE-UHFFFAOYSA-N 0 2 363.782 2.806 20 10 FFCDLN O=C(NCc1cccc(Cl)c1O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC001306907778 1052218299 /nfs/dbraw/zinc/21/82/99/1052218299.db2.gz AVPDPHGBTZTVJC-UHFFFAOYSA-N 0 2 361.810 2.913 20 10 FFCDLN C[C@H]1CCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000175260382 510558419 /nfs/dbraw/zinc/55/84/19/510558419.db2.gz LYCJRGKIKFBKIE-NSHDSACASA-N 0 2 366.464 2.879 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000372920521 513102510 /nfs/dbraw/zinc/10/25/10/513102510.db2.gz HCEBSBSLQVBWRY-CQSZACIVSA-N 0 2 359.773 2.951 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2cccc3nonc32)c2cccnc12 ZINC000129352835 728711277 /nfs/dbraw/zinc/71/12/77/728711277.db2.gz AYNTUOJYRSIKCJ-UHFFFAOYSA-N 0 2 356.363 2.580 20 10 FFCDLN CC(C)c1sc(NS(=O)(=O)c2cnnn2C)nc1-c1ccccc1 ZINC000863434586 730781382 /nfs/dbraw/zinc/78/13/82/730781382.db2.gz RUOBITFONUNAOR-UHFFFAOYSA-N 0 2 363.468 2.863 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sccc2C)cc1 ZINC000741650178 735153965 /nfs/dbraw/zinc/15/39/65/735153965.db2.gz WQVLWOMMPDPJPO-UHFFFAOYSA-N 0 2 360.482 2.619 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cn1 ZINC000743049631 735274862 /nfs/dbraw/zinc/27/48/62/735274862.db2.gz KNUWAVASGHZJNR-UHFFFAOYSA-N 0 2 354.844 2.998 20 10 FFCDLN CSCCOC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785410838 738961754 /nfs/dbraw/zinc/96/17/54/738961754.db2.gz AJDVSAIZRBQHGN-UHFFFAOYSA-N 0 2 373.477 2.774 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000790417049 739451515 /nfs/dbraw/zinc/45/15/15/739451515.db2.gz DSEDBELXUUAYPL-UHFFFAOYSA-N 0 2 353.371 2.681 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000795550618 740035628 /nfs/dbraw/zinc/03/56/28/740035628.db2.gz XJCAVVVDJOOCOW-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000057690164 845376763 /nfs/dbraw/zinc/37/67/63/845376763.db2.gz GOZGZYTYLYSLGQ-UHFFFAOYSA-N 0 2 362.392 2.914 20 10 FFCDLN COc1cccc(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c1O ZINC000194367348 971863879 /nfs/dbraw/zinc/86/38/79/971863879.db2.gz AJOOPVRUUZQJQS-UHFFFAOYSA-N 0 2 373.796 2.876 20 10 FFCDLN CC[C@@H]1C[N@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H](C)[S@]1=O ZINC001595489998 981240931 /nfs/dbraw/zinc/24/09/31/981240931.db2.gz YJSIQMKJGKNNJU-BPJJKHAOSA-N 0 2 366.458 2.747 20 10 FFCDLN CC[C@@H]1C[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C[C@H](C)[S@]1=O ZINC001595489998 981240935 /nfs/dbraw/zinc/24/09/35/981240935.db2.gz YJSIQMKJGKNNJU-BPJJKHAOSA-N 0 2 366.458 2.747 20 10 FFCDLN CN(C)c1ncn(-c2cccc(NCc3cc([N+](=O)[O-])ccc3O)c2)n1 ZINC000810156881 994718441 /nfs/dbraw/zinc/71/84/41/994718441.db2.gz YBIJOXXHKMPTEI-UHFFFAOYSA-N 0 2 354.370 2.559 20 10 FFCDLN Cc1ncc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)cn1 ZINC001146954456 1000796966 /nfs/dbraw/zinc/79/69/66/1000796966.db2.gz FWZHVPMFPRNWJQ-UHFFFAOYSA-N 0 2 359.341 2.518 20 10 FFCDLN CC[C@@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001275237459 1012126723 /nfs/dbraw/zinc/12/67/23/1012126723.db2.gz XNZVZVNOTJAOJN-LLVKDONJSA-N 0 2 373.280 2.911 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2c(C)ccnc21 ZINC000777648424 1018679591 /nfs/dbraw/zinc/67/95/91/1018679591.db2.gz TZZRCISIANSKIE-UHFFFAOYSA-N 0 2 372.402 2.836 20 10 FFCDLN C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142517268 1030566495 /nfs/dbraw/zinc/56/64/95/1030566495.db2.gz GZUIEOVJRGDUOF-OXQOHEQNSA-N 0 2 366.452 2.851 20 10 FFCDLN NN1CCC(Oc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)CC1 ZINC001227503270 1035588926 /nfs/dbraw/zinc/58/89/26/1035588926.db2.gz ZZZUWGIDRYRFSQ-UHFFFAOYSA-N 0 2 368.389 2.588 20 10 FFCDLN CC(C)N(C)C(=O)c1noc2c1CN(Cc1c(O)cc(F)cc1F)CC2 ZINC001140581411 1035660883 /nfs/dbraw/zinc/66/08/83/1035660883.db2.gz RUOCMRFHRLJZOL-UHFFFAOYSA-N 0 2 365.380 2.697 20 10 FFCDLN CC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC001260388026 1040571235 /nfs/dbraw/zinc/57/12/35/1040571235.db2.gz MCEFIFASHVRZLI-UHFFFAOYSA-N 0 2 351.384 2.834 20 10 FFCDLN CN(C)c1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261072584 1040977022 /nfs/dbraw/zinc/97/70/22/1040977022.db2.gz AQFPOBKLFSDYOF-UHFFFAOYSA-N 0 2 352.803 2.743 20 10 FFCDLN O=S(=O)(Nc1ccc2oncc2c1)c1ccc(Cl)c2nonc21 ZINC001261072768 1040979080 /nfs/dbraw/zinc/97/90/80/1040979080.db2.gz GALZQLQNRNUWLS-UHFFFAOYSA-N 0 2 350.743 2.818 20 10 FFCDLN Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001237945173 1043448773 /nfs/dbraw/zinc/44/87/73/1043448773.db2.gz SJUHOVNWVNERSX-UHFFFAOYSA-N 0 2 359.194 2.913 20 10 FFCDLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1ccc(O)c(O)c1 ZINC001540241894 1070799321 /nfs/dbraw/zinc/79/93/21/1070799321.db2.gz FTZQNULBKCMHNA-UHFFFAOYSA-N 0 2 373.434 2.789 20 10 FFCDLN CO[C@H]1C[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968277 1076314660 /nfs/dbraw/zinc/31/46/60/1076314660.db2.gz JAHPEERSHYABJT-GJZGRUSLSA-N 0 2 361.392 2.675 20 10 FFCDLN CO[C@H]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)Cc3cccnc3N2C1 ZINC001560968277 1076314671 /nfs/dbraw/zinc/31/46/71/1076314671.db2.gz JAHPEERSHYABJT-GJZGRUSLSA-N 0 2 361.392 2.675 20 10 FFCDLN CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000014257136 207516593 /nfs/dbraw/zinc/51/65/93/207516593.db2.gz FDQUGXYNKBFCEH-UHFFFAOYSA-N 0 2 363.420 2.669 20 10 FFCDLN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C(F)(F)F ZINC000171259300 510041003 /nfs/dbraw/zinc/04/10/03/510041003.db2.gz QMFAJRDSKZNSIF-UHFFFAOYSA-N 0 2 356.266 2.721 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859570 601019579 /nfs/dbraw/zinc/01/95/79/601019579.db2.gz TYTXXUOHKAJOQS-CQSZACIVSA-N 0 2 358.438 2.678 20 10 FFCDLN Cc1cc(C(=O)C[N@H+](C)CC[C@@H](C)O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859570 601019582 /nfs/dbraw/zinc/01/95/82/601019582.db2.gz TYTXXUOHKAJOQS-CQSZACIVSA-N 0 2 358.438 2.678 20 10 FFCDLN O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1cccc2nonc21 ZINC000162257313 728941602 /nfs/dbraw/zinc/94/16/02/728941602.db2.gz NWSDZSKZGZUKKQ-UHFFFAOYSA-N 0 2 372.328 2.998 20 10 FFCDLN C[C@H]1CN=C(N2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)S1 ZINC000093662971 728477046 /nfs/dbraw/zinc/47/70/46/728477046.db2.gz OWYZLNVMNWAYKP-JTQLQIEISA-N 0 2 370.862 2.563 20 10 FFCDLN O=S(=O)(CCC1Cc2ccccc2C1)NN=c1[nH]c2cccnc2s1 ZINC000857224932 730386112 /nfs/dbraw/zinc/38/61/12/730386112.db2.gz AEZYJLUCUNHMKY-UHFFFAOYSA-N 0 2 374.491 2.743 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccnn1C1CCC1 ZINC000903571784 736115812 /nfs/dbraw/zinc/11/58/12/736115812.db2.gz PKALDMJPUDXMGB-UHFFFAOYSA-N 0 2 361.452 2.927 20 10 FFCDLN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)co1 ZINC000765038826 737075369 /nfs/dbraw/zinc/07/53/69/737075369.db2.gz YNNJRDOFQWPWLF-UHFFFAOYSA-N 0 2 356.363 2.987 20 10 FFCDLN CC(C)OCc1cc(NS(=O)(=O)c2cnn(CC3CC3)c2)ccc1O ZINC000811704133 741549665 /nfs/dbraw/zinc/54/96/65/741549665.db2.gz WGPUCHGWVGQXFY-UHFFFAOYSA-N 0 2 365.455 2.725 20 10 FFCDLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000792702571 739695372 /nfs/dbraw/zinc/69/53/72/739695372.db2.gz AEWCVMOHRYZGJN-UHFFFAOYSA-N 0 2 371.411 2.841 20 10 FFCDLN CC(C)Cn1[nH]c(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1=O ZINC000935992826 740042279 /nfs/dbraw/zinc/04/22/79/740042279.db2.gz PLMRRHMXAVDQCY-UHFFFAOYSA-N 0 2 372.252 2.704 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)o1 ZINC000808114426 741188101 /nfs/dbraw/zinc/18/81/01/741188101.db2.gz XSWMIXKGZJVTFE-UHFFFAOYSA-N 0 2 363.750 2.674 20 10 FFCDLN O=C(NCc1cccc(O)c1O)c1cc(Br)c(F)cc1O ZINC001176576819 1013735249 /nfs/dbraw/zinc/73/52/49/1013735249.db2.gz TWHQADGSFBADFK-UHFFFAOYSA-N 0 2 356.147 2.635 20 10 FFCDLN Cc1cc(N(C)C)ccc1CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000743416619 999819001 /nfs/dbraw/zinc/81/90/01/999819001.db2.gz REBJXEAPYCRHEI-UHFFFAOYSA-N 0 2 350.422 2.882 20 10 FFCDLN O=C([O-])c1conc1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000846778014 1000428393 /nfs/dbraw/zinc/42/83/93/1000428393.db2.gz DWMVFYNRFWOBQW-UHFFFAOYSA-N 0 2 360.370 2.561 20 10 FFCDLN O=C1c2ccccc2C(=O)c2c(NS(=O)(=O)c3ccoc3)ccc(O)c21 ZINC001188615471 1006630965 /nfs/dbraw/zinc/63/09/65/1006630965.db2.gz NYYSKXRRJFYGDV-UHFFFAOYSA-N 0 2 369.354 2.561 20 10 FFCDLN COc1ccc(N2CC[C@H](CNC(=O)c3c(O)cc(F)cc3F)C2)cc1 ZINC000819585477 1008184314 /nfs/dbraw/zinc/18/43/14/1008184314.db2.gz FRRSCYADQGLMIM-GFCCVEGCSA-N 0 2 362.376 2.935 20 10 FFCDLN Cc1cc(CNC(=O)C[C@@H]2SC(=N)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000863161309 1010117718 /nfs/dbraw/zinc/11/77/18/1010117718.db2.gz JKMARLMFUZAYCW-INIZCTEOSA-N 0 2 370.478 2.575 20 10 FFCDLN O=C1CN(Cc2cc(Cl)cc(Cl)c2O)CCN1C1CCOCC1 ZINC001203579617 1030770132 /nfs/dbraw/zinc/77/01/32/1030770132.db2.gz BLPFSYFCYIWPDB-UHFFFAOYSA-N 0 2 359.253 2.522 20 10 FFCDLN COc1cnc(N2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)nc1 ZINC001203586149 1030773551 /nfs/dbraw/zinc/77/35/51/1030773551.db2.gz LRCSTSVLIWALBC-UHFFFAOYSA-N 0 2 369.252 2.820 20 10 FFCDLN COCCNC(=O)c1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000797035845 1030983913 /nfs/dbraw/zinc/98/39/13/1030983913.db2.gz ACPNWUJXWWDPJJ-GFCCVEGCSA-N 0 2 359.382 2.850 20 10 FFCDLN O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)cc(F)c1O ZINC001150488776 1031726023 /nfs/dbraw/zinc/72/60/23/1031726023.db2.gz WEMLJXIUZYDVNP-UHFFFAOYSA-N 0 2 370.174 2.678 20 10 FFCDLN CC[C@@H](C)N1C[C@]2(CCN(Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968048 1033866349 /nfs/dbraw/zinc/86/63/49/1033866349.db2.gz XKHPPFVJJGVXTR-KZULUSFZSA-N 0 2 370.852 2.787 20 10 FFCDLN CC(C)C(=O)N1CCC[C@@]2(CN(Cc3c(F)ccc(F)c3O)CCO2)C1 ZINC001139682787 1035196724 /nfs/dbraw/zinc/19/67/24/1035196724.db2.gz CDBQTIFBMFBDFJ-LJQANCHMSA-N 0 2 368.424 2.520 20 10 FFCDLN CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1c(F)ccc(F)c1[O-])CCO2 ZINC001139682787 1035196728 /nfs/dbraw/zinc/19/67/28/1035196728.db2.gz CDBQTIFBMFBDFJ-LJQANCHMSA-N 0 2 368.424 2.520 20 10 FFCDLN CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1c(F)ccc(F)c1[O-])CCO2 ZINC001139682787 1035196729 /nfs/dbraw/zinc/19/67/29/1035196729.db2.gz CDBQTIFBMFBDFJ-LJQANCHMSA-N 0 2 368.424 2.520 20 10 FFCDLN CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1c(F)ccc(F)c1O ZINC001139690179 1035198895 /nfs/dbraw/zinc/19/88/95/1035198895.db2.gz RVVZKVFRIYMBKV-GFCCVEGCSA-N 0 2 357.397 2.993 20 10 FFCDLN CC(C)C(=O)N1CCC[C@@]2(CN(Cc3c(O)cc(F)cc3F)CCO2)C1 ZINC001140580766 1035661695 /nfs/dbraw/zinc/66/16/95/1035661695.db2.gz KESKAGWFOJRXJU-LJQANCHMSA-N 0 2 368.424 2.520 20 10 FFCDLN O=c1c2ccc(O)cc2oc(-c2ccc(O)c(O)c2)c1O[C@@H]1CCOC1 ZINC001228366206 1036072849 /nfs/dbraw/zinc/07/28/49/1036072849.db2.gz SYFSKWHPUQKANV-GFCCVEGCSA-N 0 2 356.330 2.745 20 10 FFCDLN COC[C@H]1CN(Cc2ccc(F)c(F)c2O)CCN1C(=O)OC(C)(C)C ZINC001233077076 1036322493 /nfs/dbraw/zinc/32/24/93/1036322493.db2.gz ZPKXWQVDSZRVSR-CYBMUJFWSA-N 0 2 372.412 2.738 20 10 FFCDLN COC(=O)[C@@H](C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229701358 1036839515 /nfs/dbraw/zinc/83/95/15/1036839515.db2.gz VYRZNDLLXKPULL-SECBINFHSA-N 0 2 372.329 2.517 20 10 FFCDLN O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1)C1CCOCC1 ZINC001237125346 1038450932 /nfs/dbraw/zinc/45/09/32/1038450932.db2.gz CTDJKYHETWJKJR-CYBMUJFWSA-N 0 2 370.852 2.692 20 10 FFCDLN CN(C)c1cc[nH+]cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251390237 1039107070 /nfs/dbraw/zinc/10/70/70/1039107070.db2.gz VPYBRCHXALTVOM-UHFFFAOYSA-N 0 2 362.238 2.961 20 10 FFCDLN O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001251408972 1039113984 /nfs/dbraw/zinc/11/39/84/1039113984.db2.gz FRVBKWSJZQDSGP-NSHDSACASA-N 0 2 365.282 2.558 20 10 FFCDLN O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC001251408972 1039113994 /nfs/dbraw/zinc/11/39/94/1039113994.db2.gz FRVBKWSJZQDSGP-NSHDSACASA-N 0 2 365.282 2.558 20 10 FFCDLN COc1ccc(N2CC[NH+](Cc3[nH]nc4cc(OC)ccc43)CC2)cc1 ZINC001237395272 1043136576 /nfs/dbraw/zinc/13/65/76/1043136576.db2.gz GIECKDXOHRZQJE-UHFFFAOYSA-N 0 2 352.438 2.902 20 10 FFCDLN CN(C)C(=O)[C@H]1CCC2(CN(Cc3cc(Cl)cc(Cl)c3O)C2)O1 ZINC001279975213 1044019061 /nfs/dbraw/zinc/01/90/61/1044019061.db2.gz CPTOJMHRNOQQGY-CYBMUJFWSA-N 0 2 359.253 2.521 20 10 FFCDLN CCOC(=O)/C=C\c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000765041547 1061492817 /nfs/dbraw/zinc/49/28/17/1061492817.db2.gz YIANLFPQEDMWPK-FLIBITNWSA-N 0 2 373.390 2.600 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000276887412 510948611 /nfs/dbraw/zinc/94/86/11/510948611.db2.gz MNYABCJTWYSPOJ-UHFFFAOYSA-N 0 2 353.396 2.752 20 10 FFCDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000079268734 728310965 /nfs/dbraw/zinc/31/09/65/728310965.db2.gz IJPFTPXATUYEHZ-UHFFFAOYSA-N 0 2 358.832 2.899 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000863408901 730777835 /nfs/dbraw/zinc/77/78/35/730777835.db2.gz SXUMYTYQYXKPTE-UHFFFAOYSA-N 0 2 367.374 2.667 20 10 FFCDLN Cc1cc(-c2csc(NS(=O)(=O)c3cnc4n3CCC4)n2)c(C)o1 ZINC000783595911 738817878 /nfs/dbraw/zinc/81/78/78/738817878.db2.gz USZBQMNRAXXBEU-UHFFFAOYSA-N 0 2 364.452 2.963 20 10 FFCDLN CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1cc(F)c(O)cc1Cl ZINC000901963428 735880059 /nfs/dbraw/zinc/88/00/59/735880059.db2.gz SPCAQXCXCQVVAC-GFCCVEGCSA-N 0 2 353.799 2.658 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000775287232 738078561 /nfs/dbraw/zinc/07/85/61/738078561.db2.gz WINISHJOZQGIEF-UHFFFAOYSA-N 0 2 364.354 2.600 20 10 FFCDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776748970 738229468 /nfs/dbraw/zinc/22/94/68/738229468.db2.gz RZPLPOGTEIMJMA-UHFFFAOYSA-N 0 2 358.759 2.763 20 10 FFCDLN COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1C ZINC000789728069 739383251 /nfs/dbraw/zinc/38/32/51/739383251.db2.gz SVVUIWBFMRFELQ-UHFFFAOYSA-N 0 2 368.440 2.621 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000790411876 739450323 /nfs/dbraw/zinc/45/03/23/739450323.db2.gz SGVRYFWTZKKELY-UHFFFAOYSA-N 0 2 369.370 2.517 20 10 FFCDLN COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccoc3)n2)cc1 ZINC000795544840 740035150 /nfs/dbraw/zinc/03/51/50/740035150.db2.gz FOYNGUVIHYVGFG-UHFFFAOYSA-N 0 2 364.404 2.991 20 10 FFCDLN CCOC(=O)CC1(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000821191877 742599263 /nfs/dbraw/zinc/59/92/63/742599263.db2.gz QFSDVYAZIMPZDK-UHFFFAOYSA-N 0 2 368.238 2.927 20 10 FFCDLN CC(C)=CCN1C[C@@]2(F)CN(Cc3c(F)ccc(F)c3O)C[C@@]2(F)C1=O ZINC001275956395 1013225310 /nfs/dbraw/zinc/22/53/10/1013225310.db2.gz GFNIYKFNSPMIFF-ZWKOTPCHSA-N 0 2 372.362 2.711 20 10 FFCDLN O=S(=O)(Nc1ccc(O)c(F)c1F)c1cccc(Br)n1 ZINC001196307152 1003730397 /nfs/dbraw/zinc/73/03/97/1003730397.db2.gz BPPNCEFIBBOXPF-UHFFFAOYSA-N 0 2 365.155 2.629 20 10 FFCDLN C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC001206470129 1032299786 /nfs/dbraw/zinc/29/97/86/1032299786.db2.gz BNHYCELXYGFGFY-KWQFWETISA-N 0 2 352.303 2.702 20 10 FFCDLN C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC001206470129 1032299793 /nfs/dbraw/zinc/29/97/93/1032299793.db2.gz BNHYCELXYGFGFY-KWQFWETISA-N 0 2 352.303 2.702 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1c(O)cc(F)cc1F ZINC001275229103 1012110002 /nfs/dbraw/zinc/11/00/02/1012110002.db2.gz IAXWDJWABGQTJO-OAHLLOKOSA-N 0 2 364.314 2.800 20 10 FFCDLN Nc1cc(N)cc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)c1 ZINC001218918879 1033409177 /nfs/dbraw/zinc/40/91/77/1033409177.db2.gz HJJNEQIFRPQAID-UHFFFAOYSA-N 0 2 373.368 2.584 20 10 FFCDLN [O-]c1c(F)ccc(F)c1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001139683609 1035197205 /nfs/dbraw/zinc/19/72/05/1035197205.db2.gz OONJSWPTNPWXSM-UHFFFAOYSA-N 0 2 374.313 2.801 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O[C@H]3CCCOC3=O)c12 ZINC001227506129 1035589558 /nfs/dbraw/zinc/58/95/58/1035589558.db2.gz REFSALXPSXUXMB-AWEZNQCLSA-N 0 2 368.341 2.956 20 10 FFCDLN O=c1c(OC2CCC2)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c21 ZINC001227673117 1035665242 /nfs/dbraw/zinc/66/52/42/1035665242.db2.gz IWVVQEVAVGROQG-UHFFFAOYSA-N 0 2 372.329 2.919 20 10 FFCDLN O=C(Cc1ccsc1)N1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140585927 1035670247 /nfs/dbraw/zinc/67/02/47/1035670247.db2.gz WHUOHLHFFFEGGD-UHFFFAOYSA-N 0 2 352.406 2.619 20 10 FFCDLN Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001237759627 1043345529 /nfs/dbraw/zinc/34/55/29/1043345529.db2.gz DUGRFELRXJKUFH-UHFFFAOYSA-N 0 2 359.194 2.913 20 10 FFCDLN CC(=O)[C@@H]1CCCN(Cc2cccc(I)c2O)C1 ZINC001237783844 1043357030 /nfs/dbraw/zinc/35/70/30/1043357030.db2.gz OYSQNAXDUZFUKT-LLVKDONJSA-N 0 2 359.207 2.798 20 10 FFCDLN O=C(/C=C/c1ccc(O)c(O)c1)Nc1nccc(Br)c1O ZINC001557775332 1075888400 /nfs/dbraw/zinc/88/84/00/1075888400.db2.gz YKKSCZCDXCIZER-DUXPYHPUSA-N 0 2 351.156 2.613 20 10 FFCDLN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCCO1 ZINC001560874413 1076305690 /nfs/dbraw/zinc/30/56/90/1076305690.db2.gz YARAEWBKLUAQRH-CYBMUJFWSA-N 0 2 372.412 2.786 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267675 1080454498 /nfs/dbraw/zinc/45/44/98/1080454498.db2.gz HFTHJXUVJDDMGM-VVKQEJOYSA-N 0 2 367.829 2.843 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267675 1080454502 /nfs/dbraw/zinc/45/45/02/1080454502.db2.gz HFTHJXUVJDDMGM-VVKQEJOYSA-N 0 2 367.829 2.843 20 10 FFCDLN CC(=O)Nc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1C ZINC000055615378 506798596 /nfs/dbraw/zinc/79/85/96/506798596.db2.gz PBQAKRPUBMLDNV-UHFFFAOYSA-N 0 2 362.436 2.759 20 10 FFCDLN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4nsnc43)c2)no1 ZINC000063849663 507775282 /nfs/dbraw/zinc/77/52/82/507775282.db2.gz KHPMTGHLYWGVNN-UHFFFAOYSA-N 0 2 373.419 2.851 20 10 FFCDLN COc1cc(C)c(NS(=O)(=O)c2cccc3nsnc32)cc1F ZINC000192732825 509619285 /nfs/dbraw/zinc/61/92/85/509619285.db2.gz YYPFBSRCCKLDHB-UHFFFAOYSA-N 0 2 353.400 2.948 20 10 FFCDLN Cn1nc(C2CC2)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000903584627 736118713 /nfs/dbraw/zinc/11/87/13/736118713.db2.gz KOGAJQNJDWJWTR-UHFFFAOYSA-N 0 2 350.425 2.815 20 10 FFCDLN O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc21 ZINC000193887334 729493354 /nfs/dbraw/zinc/49/33/54/729493354.db2.gz UHWFWMJZITZFBS-UHFFFAOYSA-N 0 2 362.388 2.874 20 10 FFCDLN Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cnc(C)n3C)n2)s1 ZINC000863433629 730781237 /nfs/dbraw/zinc/78/12/37/730781237.db2.gz CFGGVWFUEFAEJS-UHFFFAOYSA-N 0 2 369.497 2.726 20 10 FFCDLN Cc1cc(F)ccc1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000743047506 735274420 /nfs/dbraw/zinc/27/44/20/735274420.db2.gz XWEBODUSOJIIGV-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc4cnccc43)n2)cn1 ZINC000743049551 735274889 /nfs/dbraw/zinc/27/48/89/735274889.db2.gz ISAYVBQDCTVPLG-UHFFFAOYSA-N 0 2 371.447 2.893 20 10 FFCDLN CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1cc(F)c(O)cc1Cl ZINC000901963429 735880198 /nfs/dbraw/zinc/88/01/98/735880198.db2.gz SPCAQXCXCQVVAC-LBPRGKRZSA-N 0 2 353.799 2.658 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1OC(C)C ZINC000760523851 736647639 /nfs/dbraw/zinc/64/76/39/736647639.db2.gz ABCPYPPVWCLGEC-UHFFFAOYSA-N 0 2 363.395 2.819 20 10 FFCDLN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000775285945 738078238 /nfs/dbraw/zinc/07/82/38/738078238.db2.gz FUGPNXWJHRDYAW-UHFFFAOYSA-N 0 2 352.368 2.727 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000790411299 739449970 /nfs/dbraw/zinc/44/99/70/739449970.db2.gz JRWLJEPJIMJWKH-UHFFFAOYSA-N 0 2 369.370 2.517 20 10 FFCDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792701894 739695313 /nfs/dbraw/zinc/69/53/13/739695313.db2.gz GMSQEQYHEMSZCT-UHFFFAOYSA-N 0 2 370.408 2.832 20 10 FFCDLN COC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nonc32)c1C ZINC000797817151 740275428 /nfs/dbraw/zinc/27/54/28/740275428.db2.gz OOWXNDIIWNREQF-UHFFFAOYSA-N 0 2 362.367 2.510 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1O ZINC000797819739 740275974 /nfs/dbraw/zinc/27/59/74/740275974.db2.gz QFDTZPHFVNUKQW-UHFFFAOYSA-N 0 2 352.368 2.727 20 10 FFCDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)s1 ZINC000808115103 741188499 /nfs/dbraw/zinc/18/84/99/741188499.db2.gz OJNMMBLREFJQCO-UHFFFAOYSA-N 0 2 365.791 2.834 20 10 FFCDLN CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000896980107 973113518 /nfs/dbraw/zinc/11/35/18/973113518.db2.gz NRCKHLFOIORMBS-GOSISDBHSA-N 0 2 372.412 2.522 20 10 FFCDLN CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000896980107 973113523 /nfs/dbraw/zinc/11/35/23/973113523.db2.gz NRCKHLFOIORMBS-GOSISDBHSA-N 0 2 372.412 2.522 20 10 FFCDLN Cn1c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2nc1C1CC1 ZINC000760269699 981307389 /nfs/dbraw/zinc/30/73/89/981307389.db2.gz KKEIVAVZROQKQP-UHFFFAOYSA-N 0 2 369.406 2.788 20 10 FFCDLN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(F)c(O)c(F)c3)C2)cc1 ZINC000819586657 1008185153 /nfs/dbraw/zinc/18/51/53/1008185153.db2.gz SLHSVUBXOVJHND-LBPRGKRZSA-N 0 2 362.376 2.935 20 10 FFCDLN C[C@@H](Nc1cnn(CC(=O)NC2CCCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756866244 1023760984 /nfs/dbraw/zinc/76/09/84/1023760984.db2.gz YDSMNVNNCLBEMH-GFCCVEGCSA-N 0 2 373.413 2.729 20 10 FFCDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000758772721 1024294696 /nfs/dbraw/zinc/29/46/96/1024294696.db2.gz BYGCBIKCZCEUKL-UHFFFAOYSA-N 0 2 371.418 2.640 20 10 FFCDLN COC(=O)[C@]1(F)CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367663 1026042343 /nfs/dbraw/zinc/04/23/43/1026042343.db2.gz KRVWELANUNXYBZ-ZDUSSCGKSA-N 0 2 366.614 2.895 20 10 FFCDLN CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1c(F)ccc(F)c1O ZINC001139690180 1035198460 /nfs/dbraw/zinc/19/84/60/1035198460.db2.gz RVVZKVFRIYMBKV-LBPRGKRZSA-N 0 2 357.397 2.993 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(OC[C@H]3COCCO3)c12 ZINC001227503398 1035589646 /nfs/dbraw/zinc/58/96/46/1035589646.db2.gz CBOZWSUMWXZWIN-CYBMUJFWSA-N 0 2 370.357 2.665 20 10 FFCDLN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(F)c(F)c1O ZINC001233076889 1036324283 /nfs/dbraw/zinc/32/42/83/1036324283.db2.gz WYMFHUDVKBSQRC-ZDUSSCGKSA-N 0 2 372.412 2.738 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2C[C@@H](F)C[C@H]2CF)c1 ZINC001233306581 1036513171 /nfs/dbraw/zinc/51/31/71/1036513171.db2.gz VPLMXJDCFYOBRY-QWRGUYRKSA-N 0 2 364.186 2.823 20 10 FFCDLN O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(OC[C@@H]3CCO3)c12 ZINC001229698618 1036837735 /nfs/dbraw/zinc/83/77/35/1036837735.db2.gz GGDRLGGKZOEUOA-LBPRGKRZSA-N 0 2 356.330 2.745 20 10 FFCDLN O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001231561860 1037684170 /nfs/dbraw/zinc/68/41/70/1037684170.db2.gz WTHKFJDYMSPROS-KRWDZBQOSA-N 0 2 355.390 2.798 20 10 FFCDLN O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001231561860 1037684172 /nfs/dbraw/zinc/68/41/72/1037684172.db2.gz WTHKFJDYMSPROS-KRWDZBQOSA-N 0 2 355.390 2.798 20 10 FFCDLN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237081616 1038438981 /nfs/dbraw/zinc/43/89/81/1038438981.db2.gz ZPGRGKFPNNKZGI-BNOWGMLFSA-N 0 2 359.253 2.519 20 10 FFCDLN CC(C)CS(=O)(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001259885112 1040271886 /nfs/dbraw/zinc/27/18/86/1040271886.db2.gz ZXYFJPAREWICCE-UHFFFAOYSA-N 0 2 359.403 2.565 20 10 FFCDLN Cc1noc(-c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2)n1 ZINC001260388025 1040572064 /nfs/dbraw/zinc/57/20/64/1040572064.db2.gz LYLLUXHIQJITRD-UHFFFAOYSA-N 0 2 373.419 2.851 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c(C)c1 ZINC001261065783 1040967715 /nfs/dbraw/zinc/96/77/15/1040967715.db2.gz CXPZXRILZSSOAH-UHFFFAOYSA-N 0 2 353.787 2.994 20 10 FFCDLN O=c1[nH]c2cc(NS(=O)(=O)c3ccc(Cl)c4nonc43)ccc2o1 ZINC001261072960 1040976570 /nfs/dbraw/zinc/97/65/70/1040976570.db2.gz JVKIPEXQNVVRBF-UHFFFAOYSA-N 0 2 366.742 2.524 20 10 FFCDLN O=S(=O)(Nc1cccc(Cl)c1CO)c1ccc(Cl)c2nonc21 ZINC001261072816 1040978830 /nfs/dbraw/zinc/97/88/30/1040978830.db2.gz FGZNIBQRQWXXHW-UHFFFAOYSA-N 0 2 374.205 2.823 20 10 FFCDLN CC[N@H+](CCN1CCCC1)Cc1cccc(I)c1O ZINC001237781445 1043353201 /nfs/dbraw/zinc/35/32/01/1043353201.db2.gz WWHYJHYWOFQNDR-UHFFFAOYSA-N 0 2 374.266 2.915 20 10 FFCDLN CCN(CC[NH+]1CCCC1)Cc1cccc(I)c1O ZINC001237781445 1043353190 /nfs/dbraw/zinc/35/31/90/1043353190.db2.gz WWHYJHYWOFQNDR-UHFFFAOYSA-N 0 2 374.266 2.915 20 10 FFCDLN O=C(N1CC(F)(C2CC2)C1)[C@]12C[C@H]1CC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001279739958 1043561918 /nfs/dbraw/zinc/56/19/18/1043561918.db2.gz GLOVYCAMZHUCMR-BLVKFPJESA-N 0 2 366.383 2.595 20 10 FFCDLN O=C(N1CC(F)(C2CC2)C1)[C@]12C[C@H]1CC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001279739958 1043561925 /nfs/dbraw/zinc/56/19/25/1043561925.db2.gz GLOVYCAMZHUCMR-BLVKFPJESA-N 0 2 366.383 2.595 20 10 FFCDLN COc1ccc(CN(CCO)Cc2cc(F)c(F)cc2O)c(OC)c1 ZINC001461985735 1061470379 /nfs/dbraw/zinc/47/03/79/1061470379.db2.gz FQSUYKLEAVUOOV-UHFFFAOYSA-N 0 2 353.365 2.682 20 10 FFCDLN O=C(NCc1c(O)cccc1O)c1cc(Br)cc(F)c1O ZINC001472063290 1064914200 /nfs/dbraw/zinc/91/42/00/1064914200.db2.gz GKYDXJZAYOUXQW-UHFFFAOYSA-N 0 2 356.147 2.635 20 10 FFCDLN CCc1cc(O)ccc1NS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000277011730 510952269 /nfs/dbraw/zinc/95/22/69/510952269.db2.gz ZUWXXMFJPTUDPV-UHFFFAOYSA-N 0 2 355.437 2.912 20 10 FFCDLN CC(C)NS(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000863985070 730819184 /nfs/dbraw/zinc/81/91/84/730819184.db2.gz OXHOQEGSTBXPGV-UHFFFAOYSA-N 0 2 365.411 2.599 20 10 FFCDLN CC(C)c1cc(NS(=O)(=O)c2cnn(C)c2Br)ccc1O ZINC000882799362 733296702 /nfs/dbraw/zinc/29/67/02/733296702.db2.gz AFGPGZVONYVFLZ-UHFFFAOYSA-N 0 2 374.260 2.812 20 10 FFCDLN Cn1nccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000727246979 734473861 /nfs/dbraw/zinc/47/38/61/734473861.db2.gz RUYMQUXATDPXTH-UHFFFAOYSA-N 0 2 354.844 2.998 20 10 FFCDLN Cn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000895373001 734996710 /nfs/dbraw/zinc/99/67/10/734996710.db2.gz FKZMKJZCLOUQBF-QKFKETGDSA-N 0 2 374.293 2.738 20 10 FFCDLN COc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1F ZINC000753521746 736074607 /nfs/dbraw/zinc/07/46/07/736074607.db2.gz MBFMOCUEWAXRKR-UHFFFAOYSA-N 0 2 356.331 2.557 20 10 FFCDLN Cc1cc(F)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1F ZINC000762631675 736847842 /nfs/dbraw/zinc/84/78/42/736847842.db2.gz ALSJHMSWOHWABZ-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN CC(C)n1ncc2ccc(NS(=O)(=O)c3cccc4nonc43)cc21 ZINC000765075501 737078891 /nfs/dbraw/zinc/07/88/91/737078891.db2.gz GHMBMKDTXTZOQC-UHFFFAOYSA-N 0 2 357.395 2.954 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)c1ccc(-c2nnc[nH]2)cc1 ZINC000765754915 737154330 /nfs/dbraw/zinc/15/43/30/737154330.db2.gz YDGXKAAXBMZDOS-UHFFFAOYSA-N 0 2 373.210 2.870 20 10 FFCDLN O=C1OCc2ccc(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)cc21 ZINC000917849929 737779591 /nfs/dbraw/zinc/77/95/91/737779591.db2.gz MDNGBKLIRHMCIF-UHFFFAOYSA-N 0 2 373.415 2.676 20 10 FFCDLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776750755 738229368 /nfs/dbraw/zinc/22/93/68/738229368.db2.gz KWSTYMSDKNNBRL-UHFFFAOYSA-N 0 2 359.762 2.772 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCO2 ZINC000778078730 738350873 /nfs/dbraw/zinc/35/08/73/738350873.db2.gz MOKJZQFVLSKKIM-UHFFFAOYSA-N 0 2 361.404 2.735 20 10 FFCDLN C[N@H+](CC(=O)NC(C)(C)C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194979 959388313 /nfs/dbraw/zinc/38/83/13/959388313.db2.gz OULNCDYOZOIKCB-UHFFFAOYSA-N 0 2 370.449 2.675 20 10 FFCDLN C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cc(C(=O)[O-])ccc1O ZINC001593312568 994802853 /nfs/dbraw/zinc/80/28/53/994802853.db2.gz XCXUHRMSJFYDSK-LBPRGKRZSA-N 0 2 368.393 2.638 20 10 FFCDLN CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000727242852 995736194 /nfs/dbraw/zinc/73/61/94/995736194.db2.gz LTEOAJZLSSRNKU-UHFFFAOYSA-N 0 2 374.441 2.937 20 10 FFCDLN CCc1oncc1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001147501241 1000905797 /nfs/dbraw/zinc/90/57/97/1000905797.db2.gz CHLWHBOIXGOTJD-UHFFFAOYSA-N 0 2 362.341 2.970 20 10 FFCDLN CC(=O)[C@H](C)CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001184341417 1002575603 /nfs/dbraw/zinc/57/56/03/1002575603.db2.gz KIYBNOUFYJIFLA-SNVBAGLBSA-N 0 2 351.358 2.721 20 10 FFCDLN CCOCCS(=O)(=O)Nc1c(C)ccc2c1C(=O)c1ccccc1C2=O ZINC001187283944 1006001312 /nfs/dbraw/zinc/00/13/12/1006001312.db2.gz QZAVDKXFGSAFRI-UHFFFAOYSA-N 0 2 373.430 2.549 20 10 FFCDLN O=S(=O)(Nc1cccc(O)c1O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188238319 1006457048 /nfs/dbraw/zinc/45/70/48/1006457048.db2.gz RRTVQJXLCMIDQQ-UHFFFAOYSA-N 0 2 368.720 2.966 20 10 FFCDLN O=C(CCc1cnoc1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001178406259 1008982007 /nfs/dbraw/zinc/98/20/07/1008982007.db2.gz ZPFWZXDWDQBJKR-UHFFFAOYSA-N 0 2 362.341 2.727 20 10 FFCDLN CC(C)(C)OCC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001180323736 1009650505 /nfs/dbraw/zinc/65/05/05/1009650505.db2.gz XFHNGTMUCZOCLF-UHFFFAOYSA-N 0 2 353.374 2.921 20 10 FFCDLN OC[C@H]1C[C@@H](F)CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC001141367666 1026043636 /nfs/dbraw/zinc/04/36/36/1026043636.db2.gz LABZEIMCVXJQFL-GZMMTYOYSA-N 0 2 352.631 2.960 20 10 FFCDLN COC[C@H]1COCCN1Cc1cc(Cl)cc(Br)c1O ZINC001141375194 1026072042 /nfs/dbraw/zinc/07/20/42/1026072042.db2.gz YRCGKBZDAFEQKP-NSHDSACASA-N 0 2 350.640 2.655 20 10 FFCDLN CCNC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(Br)c1O ZINC001141377189 1026077797 /nfs/dbraw/zinc/07/77/97/1026077797.db2.gz INBZZSHSGUZRSY-LBPRGKRZSA-N 0 2 361.667 2.909 20 10 FFCDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000795591930 1027212515 /nfs/dbraw/zinc/21/25/15/1027212515.db2.gz HCMTWFHUBDKVES-ZDUSSCGKSA-N 0 2 371.393 2.628 20 10 FFCDLN O=C1[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])[C@H]2C(=O)N1Cc1ccccc1 ZINC001138128363 1033813701 /nfs/dbraw/zinc/81/37/01/1033813701.db2.gz FRJAIAJAEHRSGD-SJLPKXTDSA-N 0 2 368.408 2.681 20 10 FFCDLN O=C1[C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])[C@H]2C(=O)N1Cc1ccccc1 ZINC001138128363 1033813711 /nfs/dbraw/zinc/81/37/11/1033813711.db2.gz FRJAIAJAEHRSGD-SJLPKXTDSA-N 0 2 368.408 2.681 20 10 FFCDLN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097475 1034516501 /nfs/dbraw/zinc/51/65/01/1034516501.db2.gz HSFCQFRIUCHAJC-DJJJIMSYSA-N 0 2 368.424 2.520 20 10 FFCDLN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001277097475 1034516505 /nfs/dbraw/zinc/51/65/05/1034516505.db2.gz HSFCQFRIUCHAJC-DJJJIMSYSA-N 0 2 368.424 2.520 20 10 FFCDLN CCOC(=O)c1nc2c(s1)CN(Cc1c(O)cc(F)cc1F)CC2 ZINC001140584384 1035668075 /nfs/dbraw/zinc/66/80/75/1035668075.db2.gz PKGMNLBJJFAIFM-UHFFFAOYSA-N 0 2 354.378 2.862 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+](C)Cc2ccon2)c1 ZINC001233308206 1036515032 /nfs/dbraw/zinc/51/50/32/1036515032.db2.gz GZJPKFRLEPXXNX-UHFFFAOYSA-N 0 2 355.188 2.561 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+](C)Cc2ccon2)c1 ZINC001233308206 1036515047 /nfs/dbraw/zinc/51/50/47/1036515047.db2.gz GZJPKFRLEPXXNX-UHFFFAOYSA-N 0 2 355.188 2.561 20 10 FFCDLN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001207242338 1037273765 /nfs/dbraw/zinc/27/37/65/1037273765.db2.gz CALYJTFCEOWPMH-ZDUSSCGKSA-N 0 2 354.731 2.828 20 10 FFCDLN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC001207242338 1037273782 /nfs/dbraw/zinc/27/37/82/1037273782.db2.gz CALYJTFCEOWPMH-ZDUSSCGKSA-N 0 2 354.731 2.828 20 10 FFCDLN CC(C)n1c[nH+]cc1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251445074 1039135332 /nfs/dbraw/zinc/13/53/32/1039135332.db2.gz VDGZQHQIIFVIEC-UHFFFAOYSA-N 0 2 364.254 2.955 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)cc(CO)c1)c1cccc2nsnc21 ZINC001260388211 1040571270 /nfs/dbraw/zinc/57/12/70/1040571270.db2.gz ZUHYWHGBXGNEHS-UHFFFAOYSA-N 0 2 355.828 2.638 20 10 FFCDLN Cc1cc(=O)c2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2o1 ZINC001260388309 1040572028 /nfs/dbraw/zinc/57/20/28/1040572028.db2.gz AHSSDQOKXUSYJP-UHFFFAOYSA-N 0 2 373.415 2.907 20 10 FFCDLN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261066412 1040973337 /nfs/dbraw/zinc/97/33/37/1040973337.db2.gz VKXAMIYVLGHESN-UHFFFAOYSA-N 0 2 366.786 2.635 20 10 FFCDLN O=S(=O)(Nc1ccc2c(c1)[C@@H](O)CC2)c1ccc(Cl)c2nonc21 ZINC001261072470 1040977082 /nfs/dbraw/zinc/97/70/82/1040977082.db2.gz TYLMNGSSBFFVNF-LBPRGKRZSA-N 0 2 365.798 2.657 20 10 FFCDLN Nc1cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)ccc1Cl ZINC001237958323 1043456856 /nfs/dbraw/zinc/45/68/56/1043456856.db2.gz NDSSOLGNGBODFZ-UHFFFAOYSA-N 0 2 359.194 2.913 20 10 FFCDLN CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cc(C(=O)[O-])cnc2F)n1C ZINC001244758633 1045195492 /nfs/dbraw/zinc/19/54/92/1045195492.db2.gz WBPQLWJVIYEFIW-UHFFFAOYSA-N 0 2 357.341 2.958 20 10 FFCDLN C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)[C@@H](C(N)=O)C1 ZINC001308705177 1052489288 /nfs/dbraw/zinc/48/92/88/1052489288.db2.gz ITSPNENIDHSVPH-QPUJVOFHSA-N 0 2 361.667 2.894 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](F)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000277583370 510966037 /nfs/dbraw/zinc/96/60/37/510966037.db2.gz YYUCYUHWMXYQKI-RULNRJAQSA-N 0 2 366.330 2.956 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)C(F)C(F)(F)F)cc2F)C[C@@H](C)O1 ZINC000277583370 510966041 /nfs/dbraw/zinc/96/60/41/510966041.db2.gz YYUCYUHWMXYQKI-RULNRJAQSA-N 0 2 366.330 2.956 20 10 FFCDLN COC(=O)C(C)(C)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000288491328 511077252 /nfs/dbraw/zinc/07/72/52/511077252.db2.gz LWHSBUALKPMFPM-UHFFFAOYSA-N 0 2 356.227 2.640 20 10 FFCDLN CCCN1Cc2cccc(NS(=O)(=O)c3cccc4nonc43)c2C1 ZINC000163306056 728955967 /nfs/dbraw/zinc/95/59/67/728955967.db2.gz PDONASBURTUMCD-UHFFFAOYSA-N 0 2 358.423 2.749 20 10 FFCDLN O=S(=O)(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc2nsnc21 ZINC000192833390 729460608 /nfs/dbraw/zinc/46/06/08/729460608.db2.gz ZYPMTEAOGXYGNJ-UHFFFAOYSA-N 0 2 357.420 2.882 20 10 FFCDLN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048859 732001730 /nfs/dbraw/zinc/00/17/30/732001730.db2.gz DVWPXLIORFOLRB-PWSUYJOCSA-N 0 2 367.808 2.609 20 10 FFCDLN Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)cn1 ZINC000874048859 732001732 /nfs/dbraw/zinc/00/17/32/732001732.db2.gz DVWPXLIORFOLRB-PWSUYJOCSA-N 0 2 367.808 2.609 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c[nH]1 ZINC000743045495 735274355 /nfs/dbraw/zinc/27/43/55/735274355.db2.gz MRTXBCGNGUHODH-UHFFFAOYSA-N 0 2 363.420 2.726 20 10 FFCDLN O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000904235667 736236773 /nfs/dbraw/zinc/23/67/73/736236773.db2.gz SQFGMWVMYRYTLL-NWDGAFQWSA-N 0 2 355.232 2.823 20 10 FFCDLN CC(C)N1Cc2cccc(NS(=O)(=O)c3cccc4nonc43)c2C1 ZINC000763504927 736942826 /nfs/dbraw/zinc/94/28/26/736942826.db2.gz CXELWCOOKXAZIW-UHFFFAOYSA-N 0 2 358.423 2.748 20 10 FFCDLN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3cccc4nonc43)cc2O1 ZINC000785490511 738969454 /nfs/dbraw/zinc/96/94/54/738969454.db2.gz ZJHLBGOPXMQFLP-INIZCTEOSA-N 0 2 361.379 2.921 20 10 FFCDLN O=C1OCc2c1cccc2S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000918741748 737822549 /nfs/dbraw/zinc/82/25/49/737822549.db2.gz AIRARKQOMUKVMV-UHFFFAOYSA-N 0 2 373.415 2.676 20 10 FFCDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000775286585 738078422 /nfs/dbraw/zinc/07/84/22/738078422.db2.gz YTWLBYCUGJSDBU-UHFFFAOYSA-N 0 2 367.339 2.626 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2SC)c(C)o1 ZINC000792701815 739695391 /nfs/dbraw/zinc/69/53/91/739695391.db2.gz BMPOMLNPTXHDKY-UHFFFAOYSA-N 0 2 357.409 2.603 20 10 FFCDLN CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)no1 ZINC000795347842 740007392 /nfs/dbraw/zinc/00/73/92/740007392.db2.gz KONIUQPDCFMDLQ-UHFFFAOYSA-N 0 2 355.372 2.528 20 10 FFCDLN COc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)ccc1O ZINC000797819547 740276063 /nfs/dbraw/zinc/27/60/63/740276063.db2.gz LYAVVZOEILYSAI-UHFFFAOYSA-N 0 2 353.444 2.671 20 10 FFCDLN COC1(CS(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCOCC1 ZINC000844660304 748068194 /nfs/dbraw/zinc/06/81/94/748068194.db2.gz PDDIXGQHUGPKRA-UHFFFAOYSA-N 0 2 370.254 2.636 20 10 FFCDLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cccc4nonc43)c2)n1 ZINC000161814570 967637864 /nfs/dbraw/zinc/63/78/64/967637864.db2.gz JKBAWJKCGPCUHQ-UHFFFAOYSA-N 0 2 369.406 2.826 20 10 FFCDLN O=C1c2ccccc2C(=O)c2cc(NS(=O)(=O)CC3CCC3)c(O)cc21 ZINC001193516022 1004508437 /nfs/dbraw/zinc/50/84/37/1004508437.db2.gz HWCMOXGPPAHHHS-UHFFFAOYSA-N 0 2 371.414 2.709 20 10 FFCDLN Cc1cc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)ncn1 ZINC001194054272 1004641261 /nfs/dbraw/zinc/64/12/61/1004641261.db2.gz URLQWOOJZGNBTL-UHFFFAOYSA-N 0 2 359.341 2.518 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cccc(F)n1 ZINC001188712810 1006695356 /nfs/dbraw/zinc/69/53/56/1006695356.db2.gz KQEWFJZVTHXVMZ-UHFFFAOYSA-N 0 2 362.316 2.954 20 10 FFCDLN CC(=O)N1CCN(c2ccc(NCc3cc([N+](=O)[O-])ccc3O)cc2)CC1 ZINC000865865841 1010877135 /nfs/dbraw/zinc/87/71/35/1010877135.db2.gz AJDKFZQJASFHBX-UHFFFAOYSA-N 0 2 370.409 2.581 20 10 FFCDLN O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(OC[C@H]3C[C@H](O)C3)c12 ZINC001218428510 1033150991 /nfs/dbraw/zinc/15/09/91/1033150991.db2.gz WJVMPDIEZLAQJT-MJHDQNEOSA-N 0 2 370.357 2.727 20 10 FFCDLN O=C(Cc1cscn1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001142035906 1029910574 /nfs/dbraw/zinc/91/05/74/1029910574.db2.gz OCDPNDPGOLMCNW-UHFFFAOYSA-N 0 2 364.382 2.805 20 10 FFCDLN O=C1[C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128361 1033814282 /nfs/dbraw/zinc/81/42/82/1033814282.db2.gz FRJAIAJAEHRSGD-AEFFLSMTSA-N 0 2 368.408 2.681 20 10 FFCDLN O=C1[C@@H]2CCC[N@H+](Cc3cccc(F)c3[O-])[C@@H]2C(=O)N1Cc1ccccc1 ZINC001138128361 1033814298 /nfs/dbraw/zinc/81/42/98/1033814298.db2.gz FRJAIAJAEHRSGD-AEFFLSMTSA-N 0 2 368.408 2.681 20 10 FFCDLN O=C(Cc1ccsc1)N1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139689619 1035198626 /nfs/dbraw/zinc/19/86/26/1035198626.db2.gz IJYOSAVEFPEZFK-UHFFFAOYSA-N 0 2 352.406 2.619 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(OC[C@@H]3COCCO3)c12 ZINC001227502386 1035589788 /nfs/dbraw/zinc/58/97/88/1035589788.db2.gz CBOZWSUMWXZWIN-ZDUSSCGKSA-N 0 2 370.357 2.665 20 10 FFCDLN O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001233078099 1036325562 /nfs/dbraw/zinc/32/55/62/1036325562.db2.gz FJHBBOUGEXNEHS-CQSZACIVSA-N 0 2 353.390 2.719 20 10 FFCDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nc(-c2ccncc2)cs1 ZINC001258334552 1039318071 /nfs/dbraw/zinc/31/80/71/1039318071.db2.gz BWZWIFUPPARWQE-UHFFFAOYSA-N 0 2 369.859 2.701 20 10 FFCDLN Cn1ncc2ccc(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc21 ZINC001261066102 1040972845 /nfs/dbraw/zinc/97/28/45/1040972845.db2.gz ZXWUELCHOKRDRK-UHFFFAOYSA-N 0 2 363.786 2.564 20 10 FFCDLN CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1c(O)cc(F)cc1F)C2 ZINC001278606302 1041393854 /nfs/dbraw/zinc/39/38/54/1041393854.db2.gz URTSBSCEWQNJER-HNNXBMFYSA-N 0 2 360.404 2.980 20 10 FFCDLN COC(=O)C1(CS(=O)(=O)Nc2cc(Cl)c(O)cc2F)CCCC1 ZINC000290474831 511143758 /nfs/dbraw/zinc/14/37/58/511143758.db2.gz HGWQATALIPBGLR-UHFFFAOYSA-N 0 2 365.810 2.660 20 10 FFCDLN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cn[nH]c1C ZINC000274675425 511906577 /nfs/dbraw/zinc/90/65/77/511906577.db2.gz YWBAOGJZDMBGBX-UHFFFAOYSA-N 0 2 367.247 2.918 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000364054620 511933794 /nfs/dbraw/zinc/93/37/94/511933794.db2.gz JMYWTMSANVNHLP-LBPRGKRZSA-N 0 2 368.798 2.572 20 10 FFCDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1C ZINC000609128437 520200108 /nfs/dbraw/zinc/20/01/08/520200108.db2.gz NPQKJYDWCDVYSB-UHFFFAOYSA-N 0 2 363.420 2.587 20 10 FFCDLN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc2nonc21 ZINC000163836829 728961200 /nfs/dbraw/zinc/96/12/00/728961200.db2.gz INOFVGBEYCCXAN-UHFFFAOYSA-N 0 2 357.395 2.717 20 10 FFCDLN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cn1 ZINC000181033630 729231826 /nfs/dbraw/zinc/23/18/26/729231826.db2.gz RSHZIMWRFUHJMP-UHFFFAOYSA-N 0 2 362.436 2.800 20 10 FFCDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000185608847 729352963 /nfs/dbraw/zinc/35/29/63/729352963.db2.gz CZVSFTGWIKPSAE-UHFFFAOYSA-N 0 2 372.431 2.886 20 10 FFCDLN Oc1c(Br)cc(Cl)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC000894474454 734865313 /nfs/dbraw/zinc/86/53/13/734865313.db2.gz CFIJIKZQACDKTE-AWEZNQCLSA-N 0 2 362.651 2.799 20 10 FFCDLN O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1cc(-c2cccc(Cl)c2)no1 ZINC000748838267 735676407 /nfs/dbraw/zinc/67/64/07/735676407.db2.gz PDAROCBSKSBDCL-UHFFFAOYSA-N 0 2 371.809 2.991 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342136 736077814 /nfs/dbraw/zinc/07/78/14/736077814.db2.gz XGZBCWAVZLBOKX-SECBINFHSA-N 0 2 357.332 2.782 20 10 FFCDLN COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(C(F)(F)F)n(C)n2)c1 ZINC000903342136 736077820 /nfs/dbraw/zinc/07/78/20/736077820.db2.gz XGZBCWAVZLBOKX-SECBINFHSA-N 0 2 357.332 2.782 20 10 FFCDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cnc2n1CCCC2 ZINC000903571860 736115927 /nfs/dbraw/zinc/11/59/27/736115927.db2.gz RKZYCLWDOFATBM-UHFFFAOYSA-N 0 2 361.452 2.539 20 10 FFCDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c(C)o1 ZINC000761995262 736780644 /nfs/dbraw/zinc/78/06/44/736780644.db2.gz JFMNWWYMTRFKAQ-UHFFFAOYSA-N 0 2 369.395 2.668 20 10 FFCDLN O=C1/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC(=S)N1Cc1ccon1 ZINC000764412833 737015861 /nfs/dbraw/zinc/01/58/61/737015861.db2.gz VOGSJVKWONCZHX-SDQBBNPISA-N 0 2 363.376 2.690 20 10 FFCDLN Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1OCC(F)F ZINC000765081839 737080103 /nfs/dbraw/zinc/08/01/03/737080103.db2.gz QVFRLSJFUSKMPB-UHFFFAOYSA-N 0 2 369.349 2.976 20 10 FFCDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792702669 739695398 /nfs/dbraw/zinc/69/53/98/739695398.db2.gz CTCUKRIXIFMCIY-UHFFFAOYSA-N 0 2 359.450 2.763 20 10 FFCDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000794874889 739938391 /nfs/dbraw/zinc/93/83/91/739938391.db2.gz PJKWQWVKQZBWFH-UHFFFAOYSA-N 0 2 370.408 2.832 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000795355527 740009146 /nfs/dbraw/zinc/00/91/46/740009146.db2.gz ZGNKVNOVCJAAHP-UHFFFAOYSA-N 0 2 373.228 2.749 20 10 FFCDLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1O ZINC000808115454 741188317 /nfs/dbraw/zinc/18/83/17/741188317.db2.gz DWVHPRIFRNXQED-UHFFFAOYSA-N 0 2 374.777 2.650 20 10 FFCDLN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(O)cc(F)cc1F ZINC000066047451 969231161 /nfs/dbraw/zinc/23/11/61/969231161.db2.gz ODHGDAUEWHEZPR-UHFFFAOYSA-N 0 2 366.339 2.576 20 10 FFCDLN COc1ccccc1C(=O)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876567745 1014306212 /nfs/dbraw/zinc/30/62/12/1014306212.db2.gz RSFXWKDEBAMAIV-UHFFFAOYSA-N 0 2 362.376 2.637 20 10 FFCDLN COCC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000812300898 995410400 /nfs/dbraw/zinc/41/04/00/995410400.db2.gz BCDXNOINVGXRBU-MRXNPFEDSA-N 0 2 371.433 2.566 20 10 FFCDLN COCC[C@@H]1COCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000812300898 995410402 /nfs/dbraw/zinc/41/04/02/995410402.db2.gz BCDXNOINVGXRBU-MRXNPFEDSA-N 0 2 371.433 2.566 20 10 FFCDLN Cc1cnc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)nc1 ZINC001194073064 1004646447 /nfs/dbraw/zinc/64/64/47/1004646447.db2.gz JFAZAIISRJYNOZ-UHFFFAOYSA-N 0 2 359.341 2.518 20 10 FFCDLN O=S(=O)(Nc1ccc(O)cc1O)c1cccc(F)c1Br ZINC001201770328 1005265550 /nfs/dbraw/zinc/26/55/50/1005265550.db2.gz HVBINYZHDAAXNX-UHFFFAOYSA-N 0 2 362.176 2.800 20 10 FFCDLN Cc1nnsc1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001187884533 1006307734 /nfs/dbraw/zinc/30/77/34/1006307734.db2.gz GGMGIVMTONIWSW-UHFFFAOYSA-N 0 2 365.370 2.580 20 10 FFCDLN CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2F)CC1 ZINC000857852578 1008225608 /nfs/dbraw/zinc/22/56/08/1008225608.db2.gz CIWLINNGINDHER-GOSISDBHSA-N 0 2 357.477 2.858 20 10 FFCDLN C[C@@H](C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)N1CCCC1 ZINC001180583712 1009760546 /nfs/dbraw/zinc/76/05/46/1009760546.db2.gz QSCXJPFLPSULBW-LBPRGKRZSA-N 0 2 364.401 2.590 20 10 FFCDLN COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1c(F)ccc(F)c1O ZINC001139688936 1035198620 /nfs/dbraw/zinc/19/86/20/1035198620.db2.gz DFWCAGDULMMNJT-FUHWJXTLSA-N 0 2 363.360 2.786 20 10 FFCDLN O=C1OC[C@H](COc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)O1 ZINC001227503379 1035589540 /nfs/dbraw/zinc/58/95/40/1035589540.db2.gz BXINNLCJKVMDPU-NSHDSACASA-N 0 2 370.313 2.785 20 10 FFCDLN COC[C@H](C)Oc1c(=O)c2c(O)cc(O)c(O)c2oc1-c1ccc(O)cc1 ZINC001230165508 1037125850 /nfs/dbraw/zinc/12/58/50/1037125850.db2.gz CVRCIZSPQWKABU-VIFPVBQESA-N 0 2 374.345 2.696 20 10 FFCDLN CC(=O)[C@H](C)Oc1c(=O)c2c(cc(O)c(O)c2O)oc1-c1ccc(O)cc1 ZINC001234738250 1037162355 /nfs/dbraw/zinc/16/23/55/1037162355.db2.gz ZNSNZXVSPGJWIS-VIFPVBQESA-N 0 2 372.329 2.639 20 10 FFCDLN O=S(=O)(Nc1ccc2nccnc2c1)c1ccc(Cl)c2nonc21 ZINC001261065905 1040971109 /nfs/dbraw/zinc/97/11/09/1040971109.db2.gz PPEDUOBIVSEUGR-UHFFFAOYSA-N 0 2 361.770 2.620 20 10 FFCDLN COCc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1F ZINC001261072579 1040979507 /nfs/dbraw/zinc/97/95/07/1040979507.db2.gz AMWNOZLYOSEPAS-UHFFFAOYSA-N 0 2 371.777 2.963 20 10 FFCDLN CC(=O)[C@H]1CCCN(Cc2cccc(I)c2O)C1 ZINC001237783847 1043354966 /nfs/dbraw/zinc/35/49/66/1043354966.db2.gz OYSQNAXDUZFUKT-NSHDSACASA-N 0 2 359.207 2.798 20 10 FFCDLN CCN(C(=O)[C@@H]1CCC2(CN(Cc3c(F)ccc(F)c3O)C2)O1)C(C)C ZINC001279739763 1043562396 /nfs/dbraw/zinc/56/23/96/1043562396.db2.gz CUMOMDLTIYGUFI-INIZCTEOSA-N 0 2 368.424 2.661 20 10 FFCDLN COc1ccc(CNC(=O)c2cc(Br)c(F)cc2O)c(O)c1 ZINC001448372303 1058770872 /nfs/dbraw/zinc/77/08/72/1058770872.db2.gz KMENNJOKCRTJEK-UHFFFAOYSA-N 0 2 370.174 2.938 20 10 FFCDLN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC001457923909 1060474976 /nfs/dbraw/zinc/47/49/76/1060474976.db2.gz NQRQMKMNQTZZLQ-UHFFFAOYSA-N 0 2 361.810 2.913 20 10 FFCDLN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(F)c(F)cc2O)CCCO1 ZINC001560874414 1076305222 /nfs/dbraw/zinc/30/52/22/1076305222.db2.gz YARAEWBKLUAQRH-ZDUSSCGKSA-N 0 2 372.412 2.786 20 10 FFCDLN COc1ccc(OC)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000014255936 506984117 /nfs/dbraw/zinc/98/41/17/506984117.db2.gz DNEOPINUXQJADR-UHFFFAOYSA-N 0 2 351.409 2.509 20 10 FFCDLN O=C([O-])NCCCOC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000834238378 605995612 /nfs/dbraw/zinc/99/56/12/605995612.db2.gz KSIPSNHYSGAWHH-UHFFFAOYSA-N 0 2 360.813 2.823 20 10 FFCDLN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NCc1cc([N+](=O)[O-])ccc1O ZINC000824324748 609475946 /nfs/dbraw/zinc/47/59/46/609475946.db2.gz UERXMRPVEIAGQV-UHFFFAOYSA-N 0 2 370.369 2.880 20 10 FFCDLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(O)cc2C)cn1 ZINC000743259606 735285939 /nfs/dbraw/zinc/28/59/39/735285939.db2.gz GFFDCBORIWVKSB-UHFFFAOYSA-N 0 2 359.407 2.696 20 10 FFCDLN CN(C)C(=O)N1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC000761226471 736709578 /nfs/dbraw/zinc/70/95/78/736709578.db2.gz SGLVHDIQHCUCDQ-UHFFFAOYSA-N 0 2 370.837 2.532 20 10 FFCDLN CN(C)C(=O)N1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC000761226471 736709581 /nfs/dbraw/zinc/70/95/81/736709581.db2.gz SGLVHDIQHCUCDQ-UHFFFAOYSA-N 0 2 370.837 2.532 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(Cc3cscn3)CC2)c1[O-] ZINC000769021210 737487012 /nfs/dbraw/zinc/48/70/12/737487012.db2.gz MZWYBWKCAAJWCZ-UHFFFAOYSA-N 0 2 368.846 2.728 20 10 FFCDLN CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000795340416 740006352 /nfs/dbraw/zinc/00/63/52/740006352.db2.gz RBOLEJMRAWFAPQ-UHFFFAOYSA-N 0 2 353.371 2.817 20 10 FFCDLN CN(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000811822237 741563700 /nfs/dbraw/zinc/56/37/00/741563700.db2.gz BZXOPRZMJXHSSS-UHFFFAOYSA-N 0 2 350.425 2.665 20 10 FFCDLN C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000762584330 988491458 /nfs/dbraw/zinc/49/14/58/988491458.db2.gz ITJVVDRJJDJHIS-LBPRGKRZSA-N 0 2 362.376 2.998 20 10 FFCDLN CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccccc2F)cc1 ZINC000727243039 995736038 /nfs/dbraw/zinc/73/60/38/995736038.db2.gz VETNCBAUVCTHPS-UHFFFAOYSA-N 0 2 374.441 2.937 20 10 FFCDLN COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)c1cccc(F)c1C ZINC001185835997 1003079350 /nfs/dbraw/zinc/07/93/50/1003079350.db2.gz BKKNKLRSVDNMDE-UHFFFAOYSA-N 0 2 357.334 2.566 20 10 FFCDLN Cc1n[nH]c(C)c1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001188594318 1006643721 /nfs/dbraw/zinc/64/37/21/1006643721.db2.gz LQEYXXHTIOTHMN-UHFFFAOYSA-N 0 2 361.357 2.760 20 10 FFCDLN O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1c(O)cc(F)cc1F ZINC001275229101 1012108544 /nfs/dbraw/zinc/10/85/44/1012108544.db2.gz IAXWDJWABGQTJO-HNNXBMFYSA-N 0 2 364.314 2.800 20 10 FFCDLN CCc1ccccc1N1CC(=O)C(C(=O)NCc2ccc(OC)cc2O)=N1 ZINC000796351517 1012254259 /nfs/dbraw/zinc/25/42/59/1012254259.db2.gz STLHXRRGTHJVFL-UHFFFAOYSA-N 0 2 367.405 2.785 20 10 FFCDLN C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000827786318 1018664175 /nfs/dbraw/zinc/66/41/75/1018664175.db2.gz ISUSUIIAXZBZCT-QAPCUYQASA-N 0 2 371.447 2.980 20 10 FFCDLN CC[C@@H](C)N1C[C@@]2(CCN(Cc3cc(F)c(Cl)cc3O)C2)OCC1=O ZINC001276968050 1033866454 /nfs/dbraw/zinc/86/64/54/1033866454.db2.gz XKHPPFVJJGVXTR-XIKOKIGWSA-N 0 2 370.852 2.787 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCC(=O)[C@H](C)CC2)c1 ZINC001233306234 1036512204 /nfs/dbraw/zinc/51/22/04/1036512204.db2.gz KFFFMHGQUXAASS-SNVBAGLBSA-N 0 2 370.243 2.742 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCC(=O)[C@H](C)CC2)c1 ZINC001233306234 1036512210 /nfs/dbraw/zinc/51/22/10/1036512210.db2.gz KFFFMHGQUXAASS-SNVBAGLBSA-N 0 2 370.243 2.742 20 10 FFCDLN O=C([O-])c1ccc(C[N@@H+]2CCc3ncc(Br)cc3C2)c(O)c1 ZINC001231452366 1037592957 /nfs/dbraw/zinc/59/29/57/1037592957.db2.gz NHDKSUNNKXWALA-UHFFFAOYSA-N 0 2 363.211 2.806 20 10 FFCDLN O=C([O-])c1ccc(C[N@H+]2CCc3ncc(Br)cc3C2)c(O)c1 ZINC001231452366 1037592971 /nfs/dbraw/zinc/59/29/71/1037592971.db2.gz NHDKSUNNKXWALA-UHFFFAOYSA-N 0 2 363.211 2.806 20 10 FFCDLN COc1ccc(CN2CCC(F)CC2)c(O)c1I ZINC001248481736 1040297141 /nfs/dbraw/zinc/29/71/41/1040297141.db2.gz DISJOYILPLGITN-UHFFFAOYSA-N 0 2 365.186 2.939 20 10 FFCDLN COc1ccc(C[NH+]2CCC(F)CC2)c([O-])c1I ZINC001248481736 1040297155 /nfs/dbraw/zinc/29/71/55/1040297155.db2.gz DISJOYILPLGITN-UHFFFAOYSA-N 0 2 365.186 2.939 20 10 FFCDLN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc3nonc32)c1 ZINC001260441045 1040592627 /nfs/dbraw/zinc/59/26/27/1040592627.db2.gz JPNTVYWUFIUVBP-UHFFFAOYSA-N 0 2 361.379 2.509 20 10 FFCDLN COc1cc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1Br ZINC001237418163 1043150683 /nfs/dbraw/zinc/15/06/83/1043150683.db2.gz WOXXGHGTQIRPLN-BXUZGUMPSA-N 0 2 355.276 2.737 20 10 FFCDLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccccc3O)=N2)cc1 ZINC001454808753 1059629799 /nfs/dbraw/zinc/62/97/99/1059629799.db2.gz XAARSLYICJEKSI-GFCCVEGCSA-N 0 2 353.378 2.783 20 10 FFCDLN CC(C)N(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000093928227 508161102 /nfs/dbraw/zinc/16/11/02/508161102.db2.gz XPWQDQFUEHFRTR-UHFFFAOYSA-N 0 2 354.453 2.735 20 10 FFCDLN C[C@@H]1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)[C@H]1C ZINC000293875861 510883172 /nfs/dbraw/zinc/88/31/72/510883172.db2.gz AZCFWAKLSKVAEZ-MNOVXSKESA-N 0 2 366.464 2.735 20 10 FFCDLN O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166462 511294590 /nfs/dbraw/zinc/29/45/90/511294590.db2.gz YRPXKVMUYWIAML-OCCSQVGLSA-N 0 2 354.790 2.524 20 10 FFCDLN O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166462 511294597 /nfs/dbraw/zinc/29/45/97/511294597.db2.gz YRPXKVMUYWIAML-OCCSQVGLSA-N 0 2 354.790 2.524 20 10 FFCDLN O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166458 511294853 /nfs/dbraw/zinc/29/48/53/511294853.db2.gz YRPXKVMUYWIAML-GXTWGEPZSA-N 0 2 354.790 2.524 20 10 FFCDLN O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000365166458 511294857 /nfs/dbraw/zinc/29/48/57/511294857.db2.gz YRPXKVMUYWIAML-GXTWGEPZSA-N 0 2 354.790 2.524 20 10 FFCDLN C[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000828302816 602316086 /nfs/dbraw/zinc/31/60/86/602316086.db2.gz IZEAXDWZNFQTPM-WMWQSODISA-N 0 2 356.382 2.977 20 10 FFCDLN Cc1cc(NS(=O)(=O)c2c(C(F)(F)F)cnn2C)c(C)c(C)c1O ZINC000872364568 731756827 /nfs/dbraw/zinc/75/68/27/731756827.db2.gz NZPYOFIXQJGFLF-UHFFFAOYSA-N 0 2 363.361 2.871 20 10 FFCDLN Cn1nccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000727244102 734473905 /nfs/dbraw/zinc/47/39/05/734473905.db2.gz UBXXJCUPRMXSEX-UHFFFAOYSA-N 0 2 356.379 2.623 20 10 FFCDLN COc1cccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1OC ZINC000901917052 735868424 /nfs/dbraw/zinc/86/84/24/735868424.db2.gz OWMNRXDDQUOJSH-UHFFFAOYSA-N 0 2 367.423 2.997 20 10 FFCDLN Cn1cccc1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000768218949 737407162 /nfs/dbraw/zinc/40/71/62/737407162.db2.gz DKFSZQIVSHFZOG-UHFFFAOYSA-N 0 2 368.264 2.996 20 10 FFCDLN Cc1cc(-c2csc(NS(=O)(=O)c3cn(C)nc3C)n2)c(C)o1 ZINC000808528438 741232892 /nfs/dbraw/zinc/23/28/92/741232892.db2.gz BLSABPKZHMCAGJ-UHFFFAOYSA-N 0 2 352.441 2.863 20 10 FFCDLN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Br)cc1O ZINC000824938765 743181832 /nfs/dbraw/zinc/18/18/32/743181832.db2.gz LUULCDPFYKWNSI-INMHGKMJSA-N 0 2 369.303 2.838 20 10 FFCDLN O=c1[nH]c2cccc(N3CCN(Cc4cc(F)cc(F)c4O)CC3)c2[nH]1 ZINC000896746506 971688833 /nfs/dbraw/zinc/68/88/33/971688833.db2.gz ZKDBYMRFOWVQMA-UHFFFAOYSA-N 0 2 360.364 2.575 20 10 FFCDLN C[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000066054158 969237683 /nfs/dbraw/zinc/23/76/83/969237683.db2.gz WTWXCKQPCFDVBB-LBPRGKRZSA-N 0 2 362.376 2.998 20 10 FFCDLN COc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3F)CC2)c(OC)c1 ZINC001599586774 993624336 /nfs/dbraw/zinc/62/43/36/993624336.db2.gz WALICLFZFOBFKE-UHFFFAOYSA-N 0 2 374.412 2.863 20 10 FFCDLN [O-]c1cc(F)c(Br)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001144299939 998287494 /nfs/dbraw/zinc/28/74/94/998287494.db2.gz MWHGWBXNWVKKIJ-ZDUSSCGKSA-N 0 2 373.266 2.590 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1ccc[nH]c1=O ZINC001147184986 1000855240 /nfs/dbraw/zinc/85/52/40/1000855240.db2.gz CDLDMPWDMGUNPF-UHFFFAOYSA-N 0 2 360.325 2.521 20 10 FFCDLN C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001182616514 1001984113 /nfs/dbraw/zinc/98/41/13/1001984113.db2.gz RDOIKXOBTRVCEP-UFBFGSQYSA-N 0 2 352.303 2.702 20 10 FFCDLN C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001182616514 1001984127 /nfs/dbraw/zinc/98/41/27/1001984127.db2.gz RDOIKXOBTRVCEP-UFBFGSQYSA-N 0 2 352.303 2.702 20 10 FFCDLN O=S(=O)(Nc1ccc(O)c(F)c1F)c1ccc(Br)cn1 ZINC001196155080 1003688230 /nfs/dbraw/zinc/68/82/30/1003688230.db2.gz KRIMQUCFMZJRII-UHFFFAOYSA-N 0 2 365.155 2.629 20 10 FFCDLN O=C(N[C@@H]1SC(=O)NC1=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195278464 1004929862 /nfs/dbraw/zinc/92/98/62/1004929862.db2.gz GOOAYFDNBCDPRS-FZFLATATSA-N 0 2 356.363 2.847 20 10 FFCDLN CCc1ccccc1N1CC(=O)C(C(=O)NCCc2ccc(O)c(O)c2)=N1 ZINC000122905749 1012086164 /nfs/dbraw/zinc/08/61/64/1012086164.db2.gz IFJHAABMPIAYHJ-UHFFFAOYSA-N 0 2 367.405 2.524 20 10 FFCDLN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373292 1026066119 /nfs/dbraw/zinc/06/61/19/1026066119.db2.gz WQDBILJFDMUQPI-LBPRGKRZSA-N 0 2 361.667 2.861 20 10 FFCDLN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141373292 1026066141 /nfs/dbraw/zinc/06/61/41/1026066141.db2.gz WQDBILJFDMUQPI-LBPRGKRZSA-N 0 2 361.667 2.861 20 10 FFCDLN O=C(Cc1cccnc1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001142147858 1030091582 /nfs/dbraw/zinc/09/15/82/1030091582.db2.gz QVJHUNIAQXGWHF-UHFFFAOYSA-N 0 2 358.353 2.744 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001138124047 1033800019 /nfs/dbraw/zinc/80/00/19/1033800019.db2.gz WUAHOZMGQQWMMY-NLWGTHIKSA-N 0 2 358.413 2.875 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001138124047 1033800035 /nfs/dbraw/zinc/80/00/35/1033800035.db2.gz WUAHOZMGQQWMMY-NLWGTHIKSA-N 0 2 358.413 2.875 20 10 FFCDLN O=C1[C@H]2[C@H](CCC[N@H+]2Cc2cccc(F)c2[O-])C(=O)N1Cc1ccccc1 ZINC001138128362 1033814632 /nfs/dbraw/zinc/81/46/32/1033814632.db2.gz FRJAIAJAEHRSGD-FUHWJXTLSA-N 0 2 368.408 2.681 20 10 FFCDLN O=C1[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(F)c2[O-])C(=O)N1Cc1ccccc1 ZINC001138128362 1033814639 /nfs/dbraw/zinc/81/46/39/1033814639.db2.gz FRJAIAJAEHRSGD-FUHWJXTLSA-N 0 2 368.408 2.681 20 10 FFCDLN CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001277097477 1034517287 /nfs/dbraw/zinc/51/72/87/1034517287.db2.gz HSFCQFRIUCHAJC-YJYMSZOUSA-N 0 2 368.424 2.520 20 10 FFCDLN CC[C@@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001277097477 1034517290 /nfs/dbraw/zinc/51/72/90/1034517290.db2.gz HSFCQFRIUCHAJC-YJYMSZOUSA-N 0 2 368.424 2.520 20 10 FFCDLN O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140583648 1035663427 /nfs/dbraw/zinc/66/34/27/1035663427.db2.gz PTCYSTAFLNGIPE-CQSZACIVSA-N 0 2 353.390 2.719 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2Cc3ncsc3C2)c1 ZINC001233308858 1036514834 /nfs/dbraw/zinc/51/48/34/1036514834.db2.gz IBNOGPRLYXFVBX-UHFFFAOYSA-N 0 2 369.240 2.914 20 10 FFCDLN O=c1c(OC2CC2)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12 ZINC001234794366 1037183231 /nfs/dbraw/zinc/18/32/31/1037183231.db2.gz KWZFNTOVBMZIHR-UHFFFAOYSA-N 0 2 358.302 2.529 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)ccc1CO)c1ccc(Cl)c2nonc21 ZINC001261073172 1040976726 /nfs/dbraw/zinc/97/67/26/1040976726.db2.gz PLFMYWXTSGDJGK-UHFFFAOYSA-N 0 2 374.205 2.823 20 10 FFCDLN O=S(=O)(Nc1ccc2nnsc2c1)c1ccc(Cl)c2nonc21 ZINC001261073910 1040981517 /nfs/dbraw/zinc/98/15/17/1040981517.db2.gz YROLPMRXYNORQG-UHFFFAOYSA-N 0 2 367.799 2.682 20 10 FFCDLN C[C@@H]1c2ncc(CC(N)=O)n2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001279971347 1044010612 /nfs/dbraw/zinc/01/06/12/1044010612.db2.gz ASCNXROKFXFOMW-SECBINFHSA-N 0 2 369.252 2.500 20 10 FFCDLN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2nc(O)cc(=O)[nH]2)c1 ZINC001301576943 1050926304 /nfs/dbraw/zinc/92/63/04/1050926304.db2.gz ZLNWRQZXCDSXPH-UHFFFAOYSA-N 0 2 372.812 2.879 20 10 FFCDLN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC2=NC(=O)CC(=O)N2)c1 ZINC001301576943 1050926315 /nfs/dbraw/zinc/92/63/15/1050926315.db2.gz ZLNWRQZXCDSXPH-UHFFFAOYSA-N 0 2 372.812 2.879 20 10 FFCDLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000014256279 506983255 /nfs/dbraw/zinc/98/32/55/506983255.db2.gz PKVQEZSGSWURJH-UHFFFAOYSA-N 0 2 363.420 2.587 20 10 FFCDLN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000364054619 511933517 /nfs/dbraw/zinc/93/35/17/511933517.db2.gz JMYWTMSANVNHLP-GFCCVEGCSA-N 0 2 368.798 2.572 20 10 FFCDLN CC(=O)c1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F ZINC000581147309 519546375 /nfs/dbraw/zinc/54/63/75/519546375.db2.gz NUTJOHJCBGUDTO-UHFFFAOYSA-N 0 2 351.384 2.834 20 10 FFCDLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000591683377 519997309 /nfs/dbraw/zinc/99/73/09/519997309.db2.gz DXTLNUODEZDIHS-UHFFFAOYSA-N 0 2 365.436 2.899 20 10 FFCDLN Cc1cc(C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccc1 ZINC000832859192 601599258 /nfs/dbraw/zinc/59/92/58/601599258.db2.gz MIFSPNRXKHVLLB-UHFFFAOYSA-N 0 2 370.449 2.842 20 10 FFCDLN Cc1cc(C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)c(C)n1-c1ccccc1 ZINC000832859192 601599260 /nfs/dbraw/zinc/59/92/60/601599260.db2.gz MIFSPNRXKHVLLB-UHFFFAOYSA-N 0 2 370.449 2.842 20 10 FFCDLN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1cccc2nsnc21 ZINC000192835003 729460553 /nfs/dbraw/zinc/46/05/53/729460553.db2.gz PHVFIRMQPIPAHF-UHFFFAOYSA-N 0 2 359.392 2.542 20 10 FFCDLN CCS(=O)(CC)=NS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000872360967 731756113 /nfs/dbraw/zinc/75/61/13/731756113.db2.gz XDOUEQVTRJPKIF-UHFFFAOYSA-N 0 2 361.272 2.864 20 10 FFCDLN Cn1cc(-c2csc(NS(=O)(=O)c3cc(F)ccc3F)n2)cn1 ZINC000743047134 735274412 /nfs/dbraw/zinc/27/44/12/735274412.db2.gz RDTHMSYRZODAHB-UHFFFAOYSA-N 0 2 356.379 2.623 20 10 FFCDLN Cc1cc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)c(F)cc1F ZINC000749011199 735688818 /nfs/dbraw/zinc/68/88/18/735688818.db2.gz PNTKHULPNFOCBC-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccnn1CC1CCC1 ZINC000901929355 735871372 /nfs/dbraw/zinc/87/13/72/735871372.db2.gz RGVGBYAFPHNCKB-UHFFFAOYSA-N 0 2 359.810 2.982 20 10 FFCDLN CN1CCc2ccc(S(=O)(=O)Nc3nc(-c4cccnc4)cs3)cc21 ZINC000753155122 736041814 /nfs/dbraw/zinc/04/18/14/736041814.db2.gz MLRZRJOUVKWJSS-UHFFFAOYSA-N 0 2 372.475 2.998 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000775286077 738078227 /nfs/dbraw/zinc/07/82/27/738078227.db2.gz BPPZWFQBYYOZBV-UHFFFAOYSA-N 0 2 357.334 2.566 20 10 FFCDLN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cccc2nonc21 ZINC000788766193 739281341 /nfs/dbraw/zinc/28/13/41/739281341.db2.gz SHGJUBQXXZIPDR-UHFFFAOYSA-N 0 2 355.379 2.518 20 10 FFCDLN C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1O ZINC000841765435 747453379 /nfs/dbraw/zinc/45/33/79/747453379.db2.gz YCINUTKJFFGTJK-CYBMUJFWSA-N 0 2 353.894 2.639 20 10 FFCDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000390922848 845844649 /nfs/dbraw/zinc/84/46/49/845844649.db2.gz CFUQZEOUWULHLT-UHFFFAOYSA-N 0 2 358.759 2.763 20 10 FFCDLN CO[C@@H](C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001599040746 999116074 /nfs/dbraw/zinc/11/60/74/999116074.db2.gz WMAUEQIACBDDMR-AWEZNQCLSA-N 0 2 358.438 2.942 20 10 FFCDLN CO[C@@H](C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(C(=O)[O-])cc2)c1C ZINC001599040746 999116077 /nfs/dbraw/zinc/11/60/77/999116077.db2.gz WMAUEQIACBDDMR-AWEZNQCLSA-N 0 2 358.438 2.942 20 10 FFCDLN O=C(Nc1nc(Br)ccc1O)c1cc(O)c(O)c(Cl)c1 ZINC001193590156 1004518663 /nfs/dbraw/zinc/51/86/63/1004518663.db2.gz VJDSANGXJPJXPD-UHFFFAOYSA-N 0 2 359.563 2.867 20 10 FFCDLN COC(=O)c1cc2cc(NC(=O)c3cc(O)c(O)c(Cl)c3)cnc2[nH]1 ZINC001193605866 1004536526 /nfs/dbraw/zinc/53/65/26/1004536526.db2.gz MOOIFZHFAJROQT-UHFFFAOYSA-N 0 2 361.741 2.666 20 10 FFCDLN Cc1ncc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)n1C ZINC001198391955 1004618476 /nfs/dbraw/zinc/61/84/76/1004618476.db2.gz MENUYAVXGZOJRB-UHFFFAOYSA-N 0 2 355.419 2.760 20 10 FFCDLN O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)Nc3cccc(O)c3O)cc12 ZINC001194372454 1004713211 /nfs/dbraw/zinc/71/32/11/1004713211.db2.gz DOYLCKZCYJAIIE-UHFFFAOYSA-N 0 2 366.782 2.806 20 10 FFCDLN Oc1cccc(F)c1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137835612 1033173330 /nfs/dbraw/zinc/17/33/30/1033173330.db2.gz LDWABKBFKHXJPC-UHFFFAOYSA-N 0 2 358.461 2.772 20 10 FFCDLN Oc1cccc(F)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001137835612 1033173338 /nfs/dbraw/zinc/17/33/38/1033173338.db2.gz LDWABKBFKHXJPC-UHFFFAOYSA-N 0 2 358.461 2.772 20 10 FFCDLN O=C(C=Cc1c[nH]cn1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001142272368 1030244807 /nfs/dbraw/zinc/24/48/07/1030244807.db2.gz BWJGURJBYAITBP-AATRIKPKSA-N 0 2 359.341 2.543 20 10 FFCDLN CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686888 1035197722 /nfs/dbraw/zinc/19/77/22/1035197722.db2.gz HZTYVVPEDJRENG-ZDUSSCGKSA-N 0 2 356.369 2.686 20 10 FFCDLN CC(C)(C)OC(=O)NC(=O)[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139686888 1035197727 /nfs/dbraw/zinc/19/77/27/1035197727.db2.gz HZTYVVPEDJRENG-ZDUSSCGKSA-N 0 2 356.369 2.686 20 10 FFCDLN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c(O)cc(F)cc2F)C1 ZINC001140585488 1035670568 /nfs/dbraw/zinc/67/05/68/1035670568.db2.gz KIMZSQGNHVAVJP-NWDGAFQWSA-N 0 2 365.380 2.623 20 10 FFCDLN CC(C)(C)N1CC(Oc2cc(O)cc(O)c2C(=O)c2ccc(O)c(O)c2)C1 ZINC001228516398 1036154132 /nfs/dbraw/zinc/15/41/32/1036154132.db2.gz MEHZLNKEZGHXGC-UHFFFAOYSA-N 0 2 373.405 2.602 20 10 FFCDLN O=C(c1ccccc1F)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001233077258 1036328209 /nfs/dbraw/zinc/32/82/09/1036328209.db2.gz NQGSDHMQECVIQY-UHFFFAOYSA-N 0 2 350.340 2.768 20 10 FFCDLN CO[C@H](C)COc1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)cc(=O)c12 ZINC001229443336 1036676726 /nfs/dbraw/zinc/67/67/26/1036676726.db2.gz OBFAWLMPRZHBRT-SECBINFHSA-N 0 2 374.345 2.696 20 10 FFCDLN CN(C1CC[NH+](Cc2c([O-])ccc(Cl)c2Cl)CC1)S(C)(=O)=O ZINC001237080860 1038438275 /nfs/dbraw/zinc/43/82/75/1038438275.db2.gz GNAJQVLQCIFKHC-UHFFFAOYSA-N 0 2 367.298 2.555 20 10 FFCDLN O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1c(F)ccc(F)c1O ZINC001278686371 1039774241 /nfs/dbraw/zinc/77/42/41/1039774241.db2.gz DVWVFHIMMWUGTJ-BETUJISGSA-N 0 2 360.364 2.556 20 10 FFCDLN COc1cc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1Br ZINC001237418165 1043150148 /nfs/dbraw/zinc/15/01/48/1043150148.db2.gz WOXXGHGTQIRPLN-RISCZKNCSA-N 0 2 355.276 2.737 20 10 FFCDLN O=C(c1cc2c([nH]1)CN(Cc1c(F)ccc(F)c1O)CC2)N1CC=CC1 ZINC001279740580 1043563750 /nfs/dbraw/zinc/56/37/50/1043563750.db2.gz YZAPMHZMBICBKO-UHFFFAOYSA-N 0 2 359.376 2.569 20 10 FFCDLN COc1ccc2c(c1)[nH]cc(C(=O)NCc1cccc(Cl)c1O)c2=O ZINC001559044445 1076120084 /nfs/dbraw/zinc/12/00/84/1076120084.db2.gz MLJOLGRBUHEATI-UHFFFAOYSA-N 0 2 358.781 2.826 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267673 1080454734 /nfs/dbraw/zinc/45/47/34/1080454734.db2.gz HFTHJXUVJDDMGM-SXXVAAGHSA-N 0 2 367.829 2.843 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@H]3C[C@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267673 1080454736 /nfs/dbraw/zinc/45/47/36/1080454736.db2.gz HFTHJXUVJDDMGM-SXXVAAGHSA-N 0 2 367.829 2.843 20 10 FFCDLN COCCOc1cccc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000055640401 506810900 /nfs/dbraw/zinc/81/09/00/506810900.db2.gz VWMPMGQJKYRZHZ-UHFFFAOYSA-N 0 2 365.436 2.517 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000276965062 510950776 /nfs/dbraw/zinc/95/07/76/510950776.db2.gz UZFBPMARSWUQKR-UHFFFAOYSA-N 0 2 371.436 2.748 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)[C@H](F)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000277583358 510965844 /nfs/dbraw/zinc/96/58/44/510965844.db2.gz YYUCYUHWMXYQKI-RBZYPMLTSA-N 0 2 366.330 2.956 20 10 FFCDLN C[C@@H]1CN(c2ccc(CNC(=O)C(F)C(F)(F)F)cc2F)C[C@H](C)O1 ZINC000277583358 510965848 /nfs/dbraw/zinc/96/58/48/510965848.db2.gz YYUCYUHWMXYQKI-RBZYPMLTSA-N 0 2 366.330 2.956 20 10 FFCDLN CC(=O)Nc1ncc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)s1 ZINC000288217802 511067809 /nfs/dbraw/zinc/06/78/09/511067809.db2.gz MFIVKMYDEGZKQC-UHFFFAOYSA-N 0 2 355.441 2.533 20 10 FFCDLN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000473816589 515761401 /nfs/dbraw/zinc/76/14/01/515761401.db2.gz ZMNQVQKWGRMYGC-UHFFFAOYSA-N 0 2 362.389 2.760 20 10 FFCDLN Cc1cccc2[nH+]cc(/C=C3/CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)n21 ZINC000531376544 516436753 /nfs/dbraw/zinc/43/67/53/516436753.db2.gz CKKQOBRCXRCUBB-LCYFTJDESA-N 0 2 372.384 2.995 20 10 FFCDLN CCCOc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1OC ZINC000863429670 730780749 /nfs/dbraw/zinc/78/07/49/730780749.db2.gz SOOCHHIFPMTDCK-UHFFFAOYSA-N 0 2 363.395 2.821 20 10 FFCDLN COc1c(O)c(CN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823133 732442041 /nfs/dbraw/zinc/44/20/41/732442041.db2.gz VCRJITZBQONDFQ-CABZTGNLSA-N 0 2 364.320 2.851 20 10 FFCDLN Cc1ccc2ncccc2c1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000775287604 738079192 /nfs/dbraw/zinc/07/91/92/738079192.db2.gz DNHNCFKIYSAMOE-UHFFFAOYSA-N 0 2 359.363 2.958 20 10 FFCDLN Cc1c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cnn1C ZINC000794017854 739841004 /nfs/dbraw/zinc/84/10/04/739841004.db2.gz UQCAXDTZDOGSNX-UHFFFAOYSA-N 0 2 370.406 2.931 20 10 FFCDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)c(F)c1 ZINC000794595391 739908787 /nfs/dbraw/zinc/90/87/87/739908787.db2.gz QRUSANXHBDSZQY-UHFFFAOYSA-N 0 2 371.411 2.841 20 10 FFCDLN O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1ccc2c(c1)CCCCC2=O ZINC000810118698 741389380 /nfs/dbraw/zinc/38/93/80/741389380.db2.gz BJAUDACPRKAHMJ-UHFFFAOYSA-N 0 2 352.419 2.592 20 10 FFCDLN CCC[N@@H+](Cc1ccc(I)cc1O)[C@H]1CC[NH2+]C1 ZINC001236324862 991159028 /nfs/dbraw/zinc/15/90/28/991159028.db2.gz VPYXDJPIQHBSPJ-ZDUSSCGKSA-N 0 2 360.239 2.571 20 10 FFCDLN COC(C)(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001276192180 1016504213 /nfs/dbraw/zinc/50/42/13/1016504213.db2.gz YWQAYLPCNZWQBQ-LJQANCHMSA-N 0 2 368.424 2.662 20 10 FFCDLN COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001276192180 1016504223 /nfs/dbraw/zinc/50/42/23/1016504223.db2.gz YWQAYLPCNZWQBQ-LJQANCHMSA-N 0 2 368.424 2.662 20 10 FFCDLN CC(=O)[C@@H](C)CC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001184341415 1002576143 /nfs/dbraw/zinc/57/61/43/1002576143.db2.gz KIYBNOUFYJIFLA-JTQLQIEISA-N 0 2 351.358 2.721 20 10 FFCDLN COCCCCC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001185621108 1003018519 /nfs/dbraw/zinc/01/85/19/1003018519.db2.gz GPTBWEDEMNLIHI-UHFFFAOYSA-N 0 2 353.374 2.923 20 10 FFCDLN O=S(=O)(Nc1cc(F)c(O)cc1F)c1cccc(Br)n1 ZINC001196314120 1003731947 /nfs/dbraw/zinc/73/19/47/1003731947.db2.gz PZIMGPRQJYDWMT-UHFFFAOYSA-N 0 2 365.155 2.629 20 10 FFCDLN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)OC ZINC001191821269 1003968588 /nfs/dbraw/zinc/96/85/88/1003968588.db2.gz GQXGPMATXFTJAM-UHFFFAOYSA-N 0 2 365.407 2.687 20 10 FFCDLN CC(C)[NH2+]c1ccc(Nc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2)cc1 ZINC001201498662 1005223965 /nfs/dbraw/zinc/22/39/65/1005223965.db2.gz AMBOEZSYBOLBKR-UHFFFAOYSA-N 0 2 361.467 2.869 20 10 FFCDLN COc1ccc(N2CC[C@@H](CNC(=O)c3c(O)cc(F)cc3F)C2)cc1 ZINC000819585478 1008183915 /nfs/dbraw/zinc/18/39/15/1008183915.db2.gz FRRSCYADQGLMIM-LBPRGKRZSA-N 0 2 362.376 2.935 20 10 FFCDLN CCc1ccccc1N1CC(=O)C(C(=O)NCc2cccc(OC)c2O)=N1 ZINC000752798518 1023205928 /nfs/dbraw/zinc/20/59/28/1023205928.db2.gz WHRVZXSEAODIKN-UHFFFAOYSA-N 0 2 367.405 2.785 20 10 FFCDLN COC[C@@H]1COCCN1Cc1cc(Cl)cc(Br)c1O ZINC001141375193 1026072779 /nfs/dbraw/zinc/07/27/79/1026072779.db2.gz YRCGKBZDAFEQKP-LLVKDONJSA-N 0 2 350.640 2.655 20 10 FFCDLN CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001204229291 1031175225 /nfs/dbraw/zinc/17/52/25/1031175225.db2.gz KRDBRXVJJMWXDJ-UHFFFAOYSA-N 0 2 352.356 2.948 20 10 FFCDLN CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001204229291 1031175236 /nfs/dbraw/zinc/17/52/36/1031175236.db2.gz KRDBRXVJJMWXDJ-UHFFFAOYSA-N 0 2 352.356 2.948 20 10 FFCDLN CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001204229291 1031175240 /nfs/dbraw/zinc/17/52/40/1031175240.db2.gz KRDBRXVJJMWXDJ-UHFFFAOYSA-N 0 2 352.356 2.948 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001138125613 1033803302 /nfs/dbraw/zinc/80/33/02/1033803302.db2.gz UMXDSLLVOABMAT-NLWGTHIKSA-N 0 2 365.445 2.706 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001138125613 1033803317 /nfs/dbraw/zinc/80/33/17/1033803317.db2.gz UMXDSLLVOABMAT-NLWGTHIKSA-N 0 2 365.445 2.706 20 10 FFCDLN O=c1c(OC2CC2)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c21 ZINC001227677794 1035667266 /nfs/dbraw/zinc/66/72/66/1035667266.db2.gz LEJKOAIOJMSYQB-UHFFFAOYSA-N 0 2 358.302 2.529 20 10 FFCDLN O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(OC[C@H]3CCO3)c12 ZINC001229698614 1036837006 /nfs/dbraw/zinc/83/70/06/1036837006.db2.gz GGDRLGGKZOEUOA-GFCCVEGCSA-N 0 2 356.330 2.745 20 10 FFCDLN O=S(=O)(Nc1cc(Cl)ccc1CO)c1cccc2nsnc21 ZINC001260388727 1040570923 /nfs/dbraw/zinc/57/09/23/1040570923.db2.gz WCNRFCNTVAZZMX-UHFFFAOYSA-N 0 2 355.828 2.638 20 10 FFCDLN O=S(=O)(Nc1ccc(C2OCCO2)cc1)c1cccc2nsnc21 ZINC001260388115 1040571163 /nfs/dbraw/zinc/57/11/63/1040571163.db2.gz RYPJFWDBAFLGHT-UHFFFAOYSA-N 0 2 363.420 2.538 20 10 FFCDLN COc1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1C ZINC001261073030 1040979468 /nfs/dbraw/zinc/97/94/68/1040979468.db2.gz NRIKGDFBXHWNIG-UHFFFAOYSA-N 0 2 353.787 2.994 20 10 FFCDLN CN(C)C(=O)[C@]12C[C@H]1CCN2Cc1cc(Cl)cc(Br)c1O ZINC001280109108 1044222954 /nfs/dbraw/zinc/22/29/54/1044222954.db2.gz DRSWHUOOXMDJFA-BMIGLBTASA-N 0 2 373.678 2.861 20 10 FFCDLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc2cc(O)c(O)cc2s1 ZINC001542618240 1071267056 /nfs/dbraw/zinc/26/70/56/1071267056.db2.gz SKKDDDPDLGTNEP-UHFFFAOYSA-N 0 2 353.363 2.745 20 10 FFCDLN C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(Cl)cc(Br)c2O)[C@H]1C ZINC001308844389 1052506696 /nfs/dbraw/zinc/50/66/96/1052506696.db2.gz KQTPGOOQIVNFSL-CIUDSAMLSA-N 0 2 361.667 2.905 20 10 FFCDLN O=C(/C=C\c1ccc(O)c(O)c1)Nc1nccc(Br)c1O ZINC001557775333 1075888239 /nfs/dbraw/zinc/88/82/39/1075888239.db2.gz YKKSCZCDXCIZER-RQOWECAXSA-N 0 2 351.156 2.613 20 10 FFCDLN CCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)s1 ZINC000055639028 506809400 /nfs/dbraw/zinc/80/94/00/506809400.db2.gz HERSMPSZDHDQJJ-UHFFFAOYSA-N 0 2 374.509 2.873 20 10 FFCDLN CC(C)Cn1cnc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000177067777 509851524 /nfs/dbraw/zinc/85/15/24/509851524.db2.gz PCBSUUKEJPIUMD-UHFFFAOYSA-N 0 2 363.468 2.858 20 10 FFCDLN CC[C@@H]1CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000294023433 510932685 /nfs/dbraw/zinc/93/26/85/510932685.db2.gz NKFBDBGQULJVEM-GFCCVEGCSA-N 0 2 366.464 2.879 20 10 FFCDLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)c1C ZINC000290455046 511141889 /nfs/dbraw/zinc/14/18/89/511141889.db2.gz DQFFGQOWZPEHCV-UHFFFAOYSA-N 0 2 367.471 2.951 20 10 FFCDLN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCc2nc[nH]c2C1 ZINC000378074673 512576804 /nfs/dbraw/zinc/57/68/04/512576804.db2.gz UYYRPTLXMSQLNT-JTQLQIEISA-N 0 2 355.225 2.779 20 10 FFCDLN COCCn1c(C)c(C)c2cc(C(=O)N=c3cc(C)c(C)n[nH]3)ccc21 ZINC000524488428 516735768 /nfs/dbraw/zinc/73/57/68/516735768.db2.gz RUYIXCQBBDRQQN-UHFFFAOYSA-N 0 2 352.438 2.986 20 10 FFCDLN O=C([C@@H]1CCCO1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000161003548 728928045 /nfs/dbraw/zinc/92/80/45/728928045.db2.gz HFODXMZKBFVZHT-AWEZNQCLSA-N 0 2 359.253 2.522 20 10 FFCDLN COC(=O)[C@H](Cc1cccc(OC)c1)NCc1ccc(F)c(F)c1O ZINC000877653020 732406205 /nfs/dbraw/zinc/40/62/05/732406205.db2.gz UTRMSUUOKKPLNF-HNNXBMFYSA-N 0 2 351.349 2.553 20 10 FFCDLN COc1c(O)c(CN2CC[C@H](C(F)(F)F)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000877823132 732441980 /nfs/dbraw/zinc/44/19/80/732441980.db2.gz VCRJITZBQONDFQ-BXKDBHETSA-N 0 2 364.320 2.851 20 10 FFCDLN CC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000782917037 738764130 /nfs/dbraw/zinc/76/41/30/738764130.db2.gz BRADCVJKYOVTGI-UHFFFAOYSA-N 0 2 351.771 2.880 20 10 FFCDLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(O)cc3OC(C)C)cc12 ZINC000762000953 736781241 /nfs/dbraw/zinc/78/12/41/736781241.db2.gz SBKSYLTUWKKAFA-UHFFFAOYSA-N 0 2 363.395 2.825 20 10 FFCDLN O=C1/C(=C\c2ccc([N+](=O)[O-])c(O)c2)SC(=S)N1Cc1ccon1 ZINC000764412836 737015903 /nfs/dbraw/zinc/01/59/03/737015903.db2.gz VOGSJVKWONCZHX-WUXMJOGZSA-N 0 2 363.376 2.690 20 10 FFCDLN Cc1nn2cc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)cnc2c1Cl ZINC000776748852 738229234 /nfs/dbraw/zinc/22/92/34/738229234.db2.gz LTDZNINHAINPJF-UHFFFAOYSA-N 0 2 373.221 2.851 20 10 FFCDLN COc1nc2ccc(NS(=O)(=O)c3cccc4nonc43)cc2s1 ZINC000790072284 739416683 /nfs/dbraw/zinc/41/66/83/739416683.db2.gz ZLGVVTGCFFAGNB-UHFFFAOYSA-N 0 2 362.392 2.642 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000795554577 740036470 /nfs/dbraw/zinc/03/64/70/740036470.db2.gz ODSQEPLCVFLWBO-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769989718 1000648802 /nfs/dbraw/zinc/64/88/02/1000648802.db2.gz WSUJCLOTRFRSQB-GFCCVEGCSA-N 0 2 369.381 2.848 20 10 FFCDLN Cc1nccc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)n1 ZINC001188179946 1006441763 /nfs/dbraw/zinc/44/17/63/1006441763.db2.gz KXJHYTKZTVOSIP-UHFFFAOYSA-N 0 2 359.341 2.518 20 10 FFCDLN CCOC(=O)CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccccc1O ZINC000823576251 1009114995 /nfs/dbraw/zinc/11/49/95/1009114995.db2.gz JRJUTURSBLBNNN-UHFFFAOYSA-N 0 2 373.434 2.668 20 10 FFCDLN C[C@@]1(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)CCCO1 ZINC001180472458 1009709316 /nfs/dbraw/zinc/70/93/16/1009709316.db2.gz VNWIKULJODDYBX-FQEVSTJZSA-N 0 2 351.358 2.675 20 10 FFCDLN O=C1OCC[C@@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227503373 1035589383 /nfs/dbraw/zinc/58/93/83/1035589383.db2.gz BVMGLUNSPSRNQW-ZDUSSCGKSA-N 0 2 354.314 2.566 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2Cc3cccnc3C2)c1 ZINC001233305381 1036509016 /nfs/dbraw/zinc/50/90/16/1036509016.db2.gz CSYJDYZYWNUOSO-UHFFFAOYSA-N 0 2 363.211 2.852 20 10 FFCDLN COC(=O)c1cc(Br)c(O)c(CN2CC(F)(C3CC3)C2)c1 ZINC001233306148 1036512939 /nfs/dbraw/zinc/51/29/39/1036512939.db2.gz HHQUPLQNQFKNNL-UHFFFAOYSA-N 0 2 358.207 2.875 20 10 FFCDLN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2c(O)ccc(Cl)c2Cl)O1 ZINC001237079298 1038438396 /nfs/dbraw/zinc/43/83/96/1038438396.db2.gz AJKPTEIMUPFWIN-YUELXQCFSA-N 0 2 373.280 2.955 20 10 FFCDLN COc1cc(O)ccc1NS(=O)(=O)c1ccccc1Br ZINC001257388728 1038780938 /nfs/dbraw/zinc/78/09/38/1038780938.db2.gz BKASEXDVIMBJLM-UHFFFAOYSA-N 0 2 358.213 2.964 20 10 FFCDLN CC(C)n1ncc2cc(NS(=O)(=O)c3cccc4nonc43)ccc21 ZINC001260441305 1040592753 /nfs/dbraw/zinc/59/27/53/1040592753.db2.gz AZBOMUCTFIBGKH-UHFFFAOYSA-N 0 2 357.395 2.954 20 10 FFCDLN O=S(=O)(Nc1ccc(CO)c(Cl)c1)c1ccc(Cl)c2nonc21 ZINC001261073944 1040981152 /nfs/dbraw/zinc/98/11/52/1040981152.db2.gz ZIDGCLZZWPPRMC-UHFFFAOYSA-N 0 2 374.205 2.823 20 10 FFCDLN O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1O ZINC001279697002 1043486683 /nfs/dbraw/zinc/48/66/83/1043486683.db2.gz NDGIETNMJHCBPR-OKILXGFUSA-N 0 2 360.364 2.556 20 10 FFCDLN O=C(Nc1nnco1)[C@]12C[C@H]1CCN2Cc1cc(Cl)cc(Cl)c1O ZINC001279972618 1044011834 /nfs/dbraw/zinc/01/18/34/1044011834.db2.gz RFDJRHZQLOAEKJ-PSLIRLAXSA-N 0 2 369.208 2.685 20 10 FFCDLN COC(=O)C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC(C)C ZINC001319151324 1045046845 /nfs/dbraw/zinc/04/68/45/1045046845.db2.gz NNNXMBLHLOECCW-UHFFFAOYSA-N 0 2 371.433 2.960 20 10 FFCDLN COC(=O)C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])CC(C)C ZINC001319151324 1045046859 /nfs/dbraw/zinc/04/68/59/1045046859.db2.gz NNNXMBLHLOECCW-UHFFFAOYSA-N 0 2 371.433 2.960 20 10 FFCDLN O=C1N[C@H](c2cc([N+](=O)[O-])ccc2O)Nc2ccc(Br)cc21 ZINC001317889641 1045162797 /nfs/dbraw/zinc/16/27/97/1045162797.db2.gz MWJSIKQVTJFBIN-CYBMUJFWSA-N 0 2 364.155 2.917 20 10 FFCDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000267573397 509547451 /nfs/dbraw/zinc/54/74/51/509547451.db2.gz OKYHKQVQAOLRPT-OAHLLOKOSA-N 0 2 372.377 2.827 20 10 FFCDLN OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297592588 511000607 /nfs/dbraw/zinc/00/06/07/511000607.db2.gz HQQNLENNUUCNLM-ZCNNSNEGSA-N 0 2 352.478 2.852 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000292247968 511521928 /nfs/dbraw/zinc/52/19/28/511521928.db2.gz DDLPHNXGJBOSKP-UHFFFAOYSA-N 0 2 374.509 2.927 20 10 FFCDLN C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O ZINC000273446709 511525936 /nfs/dbraw/zinc/52/59/36/511525936.db2.gz NXIYVQLHPNALDG-RDTXWAMCSA-N 0 2 371.437 2.718 20 10 FFCDLN C[N@H+](CC(F)F)C1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830706254 601259983 /nfs/dbraw/zinc/25/99/83/601259983.db2.gz HHEXSZUFQFGKJK-HYXAFXHYSA-N 0 2 369.368 2.858 20 10 FFCDLN C[N@@H+](CC(F)F)C1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830706254 601259984 /nfs/dbraw/zinc/25/99/84/601259984.db2.gz HHEXSZUFQFGKJK-HYXAFXHYSA-N 0 2 369.368 2.858 20 10 FFCDLN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774198 732765961 /nfs/dbraw/zinc/76/59/61/732765961.db2.gz FKIJHHBIKAMKEC-OTYXRUKQSA-N 0 2 364.243 2.860 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+](C)CC(=O)NCc2ccco2)c1 ZINC000781893962 738668316 /nfs/dbraw/zinc/66/83/16/738668316.db2.gz ASXICXKNRWXXJK-UHFFFAOYSA-N 0 2 367.243 2.804 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+](C)CC(=O)NCc2ccco2)c1 ZINC000781893962 738668317 /nfs/dbraw/zinc/66/83/17/738668317.db2.gz ASXICXKNRWXXJK-UHFFFAOYSA-N 0 2 367.243 2.804 20 10 FFCDLN Cc1cc(Br)c(O)c(CN(C)CC(=O)NCc2ccco2)c1 ZINC000781893962 738668319 /nfs/dbraw/zinc/66/83/19/738668319.db2.gz ASXICXKNRWXXJK-UHFFFAOYSA-N 0 2 367.243 2.804 20 10 FFCDLN CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000727242748 734473803 /nfs/dbraw/zinc/47/38/03/734473803.db2.gz JCKRDXUCZFYHPY-UHFFFAOYSA-N 0 2 356.451 2.798 20 10 FFCDLN Cn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000895372998 734996888 /nfs/dbraw/zinc/99/68/88/734996888.db2.gz FKZMKJZCLOUQBF-FATZIPQQSA-N 0 2 374.293 2.738 20 10 FFCDLN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C12CCC2 ZINC000904235672 736236860 /nfs/dbraw/zinc/23/68/60/736236860.db2.gz SQFGMWVMYRYTLL-VXGBXAGGSA-N 0 2 355.232 2.823 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000775286494 738078404 /nfs/dbraw/zinc/07/84/04/738078404.db2.gz KCIKPCZTPJGCBS-UHFFFAOYSA-N 0 2 355.799 2.941 20 10 FFCDLN CO[C@H](CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000849308598 749097101 /nfs/dbraw/zinc/09/71/01/749097101.db2.gz TVTOFCSQWMGQMQ-OAHLLOKOSA-N 0 2 358.416 2.637 20 10 FFCDLN O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625287 1004527465 /nfs/dbraw/zinc/52/74/65/1004527465.db2.gz GQKAFTKSTIJPQR-UHFFFAOYSA-N 0 2 368.861 2.516 20 10 FFCDLN C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000866627491 1011026308 /nfs/dbraw/zinc/02/63/08/1011026308.db2.gz BKBYLKRDJQEBKF-VIFPVBQESA-N 0 2 369.343 2.830 20 10 FFCDLN C[N@@H+](Cc1c([O-])cccc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831661 1033164331 /nfs/dbraw/zinc/16/43/31/1033164331.db2.gz JEWANIOCBVZAPS-ZDUSSCGKSA-N 0 2 354.422 2.599 20 10 FFCDLN C[N@H+](Cc1c([O-])cccc1F)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001137831661 1033164338 /nfs/dbraw/zinc/16/43/38/1033164338.db2.gz JEWANIOCBVZAPS-ZDUSSCGKSA-N 0 2 354.422 2.599 20 10 FFCDLN Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000757912617 1023882876 /nfs/dbraw/zinc/88/28/76/1023882876.db2.gz QFLORKLRCYBGQS-UHFFFAOYSA-N 0 2 367.365 2.506 20 10 FFCDLN O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC[C@H]3CCO3)c12 ZINC001227030269 1034914803 /nfs/dbraw/zinc/91/48/03/1034914803.db2.gz ZDRYEDXWPLGHET-GFCCVEGCSA-N 0 2 356.330 2.745 20 10 FFCDLN CC(=O)n1ccc2cc(NS(=O)(=O)c3cccc4nonc43)ccc21 ZINC001260441804 1040591783 /nfs/dbraw/zinc/59/17/83/1040591783.db2.gz ZKPYPXVRRCWLBM-UHFFFAOYSA-N 0 2 356.363 2.638 20 10 FFCDLN C[C@H](O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1 ZINC001261071229 1040975932 /nfs/dbraw/zinc/97/59/32/1040975932.db2.gz SJESPQBMEVOHPB-QMMMGPOBSA-N 0 2 353.787 2.730 20 10 FFCDLN CN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)cc(Br)c1O ZINC001280109114 1044222408 /nfs/dbraw/zinc/22/24/08/1044222408.db2.gz DRSWHUOOXMDJFA-ZUZCIYMTSA-N 0 2 373.678 2.861 20 10 FFCDLN CC1(C)CN(Cc2cc(Cl)cc(Br)c2O)C[C@H](CO)O1 ZINC001308825432 1052504450 /nfs/dbraw/zinc/50/44/50/1052504450.db2.gz KEHQJWLHVDGFJG-LLVKDONJSA-N 0 2 364.667 2.780 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)[C@H]1CCCc2[nH]ncc21 ZINC000277656428 510969161 /nfs/dbraw/zinc/96/91/61/510969161.db2.gz ZLFYVOHAIFZRAS-JTQLQIEISA-N 0 2 350.216 2.614 20 10 FFCDLN CCOCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000290378772 511135163 /nfs/dbraw/zinc/13/51/63/511135163.db2.gz AXXWCGBQLKTCHO-MRVPVSSYSA-N 0 2 356.766 2.724 20 10 FFCDLN C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000828302812 602316167 /nfs/dbraw/zinc/31/61/67/602316167.db2.gz IZEAXDWZNFQTPM-UWQDDJICSA-N 0 2 356.382 2.977 20 10 FFCDLN Cc1cccc(F)c1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000775161109 738067588 /nfs/dbraw/zinc/06/75/88/738067588.db2.gz WAZAGCVLHOLQPC-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000775288057 738079067 /nfs/dbraw/zinc/07/90/67/738079067.db2.gz IKQKVVUGWHEAMK-UHFFFAOYSA-N 0 2 352.368 2.808 20 10 FFCDLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776748778 738229353 /nfs/dbraw/zinc/22/93/53/738229353.db2.gz GPGRHRQFCGXWIQ-UHFFFAOYSA-N 0 2 370.814 2.813 20 10 FFCDLN CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000795323059 740003277 /nfs/dbraw/zinc/00/32/77/740003277.db2.gz BYGMUOJRDHTCNF-UHFFFAOYSA-N 0 2 353.371 2.817 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1O ZINC000797819347 740275906 /nfs/dbraw/zinc/27/59/06/740275906.db2.gz GRVPMTNQXHCQMX-UHFFFAOYSA-N 0 2 356.331 2.557 20 10 FFCDLN COc1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1O ZINC000797820356 740276298 /nfs/dbraw/zinc/27/62/98/740276298.db2.gz UAPHWMLSEUZFLY-UHFFFAOYSA-N 0 2 363.370 2.526 20 10 FFCDLN O=S1(=O)CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]2CCC[C@H]21 ZINC000825201538 743227436 /nfs/dbraw/zinc/22/74/36/743227436.db2.gz LRSAGKAOUOVUHK-CHWSQXEVSA-N 0 2 350.267 2.851 20 10 FFCDLN CCn1cnc2c1CC[N@H+](Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])C2 ZINC001597922773 989855659 /nfs/dbraw/zinc/85/56/59/989855659.db2.gz KCJMYQRADBSDRF-UHFFFAOYSA-N 0 2 356.401 2.790 20 10 FFCDLN CCn1cnc2c1CC[N@@H+](Cc1c3cc(F)ccc3n(C)c1C(=O)[O-])C2 ZINC001597922773 989855668 /nfs/dbraw/zinc/85/56/68/989855668.db2.gz KCJMYQRADBSDRF-UHFFFAOYSA-N 0 2 356.401 2.790 20 10 FFCDLN C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769989720 1000648869 /nfs/dbraw/zinc/64/88/69/1000648869.db2.gz WSUJCLOTRFRSQB-LBPRGKRZSA-N 0 2 369.381 2.848 20 10 FFCDLN O=S(=O)(Nc1cc(F)c(O)cc1F)c1c(Cl)nc2sccn21 ZINC001187139831 1003582264 /nfs/dbraw/zinc/58/22/64/1003582264.db2.gz HXTZJLUCLCSGMN-UHFFFAOYSA-N 0 2 365.770 2.834 20 10 FFCDLN COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000775685626 1003666663 /nfs/dbraw/zinc/66/66/63/1003666663.db2.gz RECBKEFMTRSPDT-UHFFFAOYSA-N 0 2 365.477 2.741 20 10 FFCDLN Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c(C)n1-c1cccc(C(C)C)c1 ZINC000748006736 1006669717 /nfs/dbraw/zinc/66/97/17/1006669717.db2.gz NPIHCGXJIYCEGK-UHFFFAOYSA-N 0 2 353.426 2.971 20 10 FFCDLN CC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1C ZINC001141374493 1026070171 /nfs/dbraw/zinc/07/01/71/1026070171.db2.gz JXNVCUSHSZAWJR-VIFPVBQESA-N 0 2 361.667 2.861 20 10 FFCDLN O=C(NCc1c(O)cccc1O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001156880806 1029388103 /nfs/dbraw/zinc/38/81/03/1029388103.db2.gz BTCQIIYFXMIAEH-UHFFFAOYSA-N 0 2 359.769 2.573 20 10 FFCDLN Oc1c(F)cccc1CN1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001138127407 1033809510 /nfs/dbraw/zinc/80/95/10/1033809510.db2.gz ZYWYJHDAOHUDDF-FHLIZLRMSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001138127407 1033809522 /nfs/dbraw/zinc/80/95/22/1033809522.db2.gz ZYWYJHDAOHUDDF-FHLIZLRMSA-N 0 2 358.413 2.985 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001138127407 1033809535 /nfs/dbraw/zinc/80/95/35/1033809535.db2.gz ZYWYJHDAOHUDDF-FHLIZLRMSA-N 0 2 358.413 2.985 20 10 FFCDLN CCOC(=O)c1nc2c(s1)CN(Cc1ccc(F)c(F)c1O)CC2 ZINC001233077994 1036327884 /nfs/dbraw/zinc/32/78/84/1036327884.db2.gz BMTTUEYIMNXHHM-UHFFFAOYSA-N 0 2 354.378 2.862 20 10 FFCDLN O=C([O-])c1ccc(O)c(C[N@@H+]2CCc3nc(Br)sc3C2)c1 ZINC001231565278 1037689037 /nfs/dbraw/zinc/68/90/37/1037689037.db2.gz RJQIKEHPKBFQKB-UHFFFAOYSA-N 0 2 369.240 2.868 20 10 FFCDLN O=C([O-])c1ccc(O)c(C[N@H+]2CCc3nc(Br)sc3C2)c1 ZINC001231565278 1037689047 /nfs/dbraw/zinc/68/90/47/1037689047.db2.gz RJQIKEHPKBFQKB-UHFFFAOYSA-N 0 2 369.240 2.868 20 10 FFCDLN COc1ccc(N2CC[NH+](Cc3ccc(F)c(C(=O)[O-])c3F)CC2)cc1 ZINC001249760754 1040982584 /nfs/dbraw/zinc/98/25/84/1040982584.db2.gz QOZYUMTYWHFNTI-UHFFFAOYSA-N 0 2 362.376 2.994 20 10 FFCDLN CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1ccc(F)c(F)c1O)C2 ZINC001279697576 1043488780 /nfs/dbraw/zinc/48/87/80/1043488780.db2.gz MUWAFIVOTHOYNT-HNNXBMFYSA-N 0 2 360.404 2.980 20 10 FFCDLN CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1)c1nccn1C ZINC000182885656 509477009 /nfs/dbraw/zinc/47/70/09/509477009.db2.gz NWCFIKFCCSIDFA-SFHVURJKSA-N 0 2 359.493 2.942 20 10 FFCDLN CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000271222046 511126760 /nfs/dbraw/zinc/12/67/60/511126760.db2.gz PKEKQRBNZFTUMK-MRVPVSSYSA-N 0 2 356.766 2.676 20 10 FFCDLN CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000271222046 511126767 /nfs/dbraw/zinc/12/67/67/511126767.db2.gz PKEKQRBNZFTUMK-MRVPVSSYSA-N 0 2 356.766 2.676 20 10 FFCDLN C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273492997 511529620 /nfs/dbraw/zinc/52/96/20/511529620.db2.gz OOQRIMYQGXAVKO-GFCCVEGCSA-N 0 2 359.382 2.941 20 10 FFCDLN COCc1nc([C@@H]2COCCN2Cc2cc(Cl)cc(Cl)c2O)no1 ZINC000374789764 513004554 /nfs/dbraw/zinc/00/45/54/513004554.db2.gz YGEPIXFIFZUINH-LBPRGKRZSA-N 0 2 374.224 2.802 20 10 FFCDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000583057348 519053294 /nfs/dbraw/zinc/05/32/94/519053294.db2.gz RGXMHZKVLSGDOH-UHFFFAOYSA-N 0 2 364.408 2.963 20 10 FFCDLN COC(=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)o1 ZINC000737697080 600314563 /nfs/dbraw/zinc/31/45/63/600314563.db2.gz OAACODDYEUSPML-UHFFFAOYSA-N 0 2 353.758 2.512 20 10 FFCDLN COC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)o1 ZINC000737697080 600314565 /nfs/dbraw/zinc/31/45/65/600314565.db2.gz OAACODDYEUSPML-UHFFFAOYSA-N 0 2 353.758 2.512 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cccc2nonc21 ZINC000753919144 736106863 /nfs/dbraw/zinc/10/68/63/736106863.db2.gz SQCQCPROQPEDKG-UHFFFAOYSA-N 0 2 359.392 2.542 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000775286078 738078134 /nfs/dbraw/zinc/07/81/34/738078134.db2.gz BTGYJVAFOJVBPS-UHFFFAOYSA-N 0 2 358.375 2.528 20 10 FFCDLN CCCOc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000775289075 738078954 /nfs/dbraw/zinc/07/89/54/738078954.db2.gz PRYHUMRDTWCYHY-UHFFFAOYSA-N 0 2 352.368 2.890 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000808528415 741232790 /nfs/dbraw/zinc/23/27/90/741232790.db2.gz AQZHECLIENGOOI-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2n[nH]c(=S)n2c1 ZINC000813683944 741748893 /nfs/dbraw/zinc/74/88/93/741748893.db2.gz HYUZGTHCCCRQJS-UHFFFAOYSA-N 0 2 369.233 2.960 20 10 FFCDLN O=[N+]([O-])c1cc(NS(=O)(=O)CCC2Cc3ccccc3C2)ccc1O ZINC000821197593 742599599 /nfs/dbraw/zinc/59/95/99/742599599.db2.gz FHKKPFXNNRCCAB-UHFFFAOYSA-N 0 2 362.407 2.847 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000842587846 747633706 /nfs/dbraw/zinc/63/37/06/747633706.db2.gz JAAOHYJYTMQPSJ-UHFFFAOYSA-N 0 2 370.452 2.518 20 10 FFCDLN COc1cccc(C(=O)N2CCN(Cc3ccc(F)c(F)c3O)CC2)c1 ZINC000876593709 1014313777 /nfs/dbraw/zinc/31/37/77/1014313777.db2.gz WLVUIWAOIUALDE-UHFFFAOYSA-N 0 2 362.376 2.637 20 10 FFCDLN COC(=O)c1cc2cc(NS(=O)(=O)c3cccc4nonc43)ccc2o1 ZINC000765051534 984946715 /nfs/dbraw/zinc/94/67/15/984946715.db2.gz BKYBBNOASSDYOF-UHFFFAOYSA-N 0 2 373.346 2.556 20 10 FFCDLN O=C(CCC(=O)C1CC1)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001144227910 998163269 /nfs/dbraw/zinc/16/32/69/998163269.db2.gz FGKWBFHLJVPHQD-UHFFFAOYSA-N 0 2 363.369 2.865 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cc[nH]c(=O)c1 ZINC001146906894 1000788371 /nfs/dbraw/zinc/78/83/71/1000788371.db2.gz HTYZDKPBLOVGNO-UHFFFAOYSA-N 0 2 360.325 2.521 20 10 FFCDLN CC(=O)N1CCC[C@]2(CN(Cc3cc(Cl)cc(Cl)c3O)CCO2)C1 ZINC001203580768 1030770341 /nfs/dbraw/zinc/77/03/41/1030770341.db2.gz XIMRRMQNKVEHBI-KRWDZBQOSA-N 0 2 373.280 2.912 20 10 FFCDLN CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CCO2 ZINC001203580768 1030770355 /nfs/dbraw/zinc/77/03/55/1030770355.db2.gz XIMRRMQNKVEHBI-KRWDZBQOSA-N 0 2 373.280 2.912 20 10 FFCDLN CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CCO2 ZINC001203580768 1030770372 /nfs/dbraw/zinc/77/03/72/1030770372.db2.gz XIMRRMQNKVEHBI-KRWDZBQOSA-N 0 2 373.280 2.912 20 10 FFCDLN O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(OC3COCOC3)c12 ZINC001227505705 1035589050 /nfs/dbraw/zinc/58/90/50/1035589050.db2.gz PYPNHCXCMPKWKZ-UHFFFAOYSA-N 0 2 356.330 2.623 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001233306134 1036511818 /nfs/dbraw/zinc/51/18/18/1036511818.db2.gz GTHFDGGMHCVQDK-SNVBAGLBSA-N 0 2 370.243 2.742 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001233306134 1036511824 /nfs/dbraw/zinc/51/18/24/1036511824.db2.gz GTHFDGGMHCVQDK-SNVBAGLBSA-N 0 2 370.243 2.742 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC001233309179 1036513675 /nfs/dbraw/zinc/51/36/75/1036513675.db2.gz WBJZNIVHXBYAAJ-AWEZNQCLSA-N 0 2 370.243 2.552 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC001233309179 1036513684 /nfs/dbraw/zinc/51/36/84/1036513684.db2.gz WBJZNIVHXBYAAJ-AWEZNQCLSA-N 0 2 370.243 2.552 20 10 FFCDLN CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2c(O)ccc(F)c2F)C1 ZINC001233335340 1036541065 /nfs/dbraw/zinc/54/10/65/1036541065.db2.gz QRTDPLNIWICCMT-LBPRGKRZSA-N 0 2 356.413 2.566 20 10 FFCDLN O=C([C@@H]1CCCCN1Cc1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC001233418633 1036611510 /nfs/dbraw/zinc/61/15/10/1036611510.db2.gz PEIXCYIQDLFJCA-HNNXBMFYSA-N 0 2 372.387 2.624 20 10 FFCDLN CN(C1CC[NH+](Cc2cc(Cl)c(Cl)cc2[O-])CC1)S(C)(=O)=O ZINC001236797646 1038275363 /nfs/dbraw/zinc/27/53/63/1038275363.db2.gz CZNPXJSWHXEHPH-UHFFFAOYSA-N 0 2 367.298 2.555 20 10 FFCDLN O=S(=O)(Nc1ccccc1-n1ccnc1)c1cccc2nsnc21 ZINC001260382714 1040566844 /nfs/dbraw/zinc/56/68/44/1040566844.db2.gz QFIUXUSZPKIFJT-UHFFFAOYSA-N 0 2 357.420 2.678 20 10 FFCDLN O=S(=O)(Nc1cccc2c1CCO2)c1ccc(Cl)c2nonc21 ZINC001261072735 1040976685 /nfs/dbraw/zinc/97/66/85/1040976685.db2.gz DPHSIGIJYNMBRE-UHFFFAOYSA-N 0 2 351.771 2.612 20 10 FFCDLN COc1cnc(O[C@H]2CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)nc1 ZINC001237939296 1043446586 /nfs/dbraw/zinc/44/65/86/1043446586.db2.gz AQAVZJAWQBKIFG-NSHDSACASA-N 0 2 353.781 2.637 20 10 FFCDLN O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)c(F)cc1O ZINC001465981382 1063288353 /nfs/dbraw/zinc/28/83/53/1063288353.db2.gz LULJQIBDQFPSHK-UHFFFAOYSA-N 0 2 370.174 2.678 20 10 FFCDLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000068077120 507101335 /nfs/dbraw/zinc/10/13/35/507101335.db2.gz VYLWOTPIOFSTNO-UHFFFAOYSA-N 0 2 362.436 2.759 20 10 FFCDLN COCCOc1ccccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000057126105 507179914 /nfs/dbraw/zinc/17/99/14/507179914.db2.gz LJKRNQIFCTWOBH-UHFFFAOYSA-N 0 2 365.436 2.517 20 10 FFCDLN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1c2c(nn1C)CCCC2 ZINC000872365749 731756963 /nfs/dbraw/zinc/75/69/63/731756963.db2.gz FAHLJVCBWOMODL-UHFFFAOYSA-N 0 2 365.455 2.593 20 10 FFCDLN Cn1nc2c(c1S(=O)(=O)Nc1cc(Cl)c(O)cc1F)CCCC2 ZINC000872372052 731758187 /nfs/dbraw/zinc/75/81/87/731758187.db2.gz UTLBPXHOSUEHPA-UHFFFAOYSA-N 0 2 359.810 2.598 20 10 FFCDLN Cc1cc(Br)c(O)c(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000781907899 738670636 /nfs/dbraw/zinc/67/06/36/738670636.db2.gz HFWSMUBGSVIIKZ-GFCCVEGCSA-N 0 2 354.166 2.962 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000781907899 738670640 /nfs/dbraw/zinc/67/06/40/738670640.db2.gz HFWSMUBGSVIIKZ-GFCCVEGCSA-N 0 2 354.166 2.962 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000781907899 738670642 /nfs/dbraw/zinc/67/06/42/738670642.db2.gz HFWSMUBGSVIIKZ-GFCCVEGCSA-N 0 2 354.166 2.962 20 10 FFCDLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccon1 ZINC000764411201 737015525 /nfs/dbraw/zinc/01/55/25/737015525.db2.gz HXQOJYLGNRETJQ-SDQBBNPISA-N 0 2 363.376 2.690 20 10 FFCDLN CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 ZINC000795361253 740010149 /nfs/dbraw/zinc/01/01/49/740010149.db2.gz FRJOASWDYHMYCV-UHFFFAOYSA-N 0 2 369.370 2.517 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000808528016 741232427 /nfs/dbraw/zinc/23/24/27/741232427.db2.gz ULBPQAKZZNEXGE-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)C1 ZINC000809725501 741337493 /nfs/dbraw/zinc/33/74/93/741337493.db2.gz UZBPDVHPMUNMKB-SNVBAGLBSA-N 0 2 367.298 2.555 20 10 FFCDLN COc1cccc(CNC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c1O ZINC000161600869 967343704 /nfs/dbraw/zinc/34/37/04/967343704.db2.gz YKOVDANHICTZIK-UHFFFAOYSA-N 0 2 371.368 2.670 20 10 FFCDLN Cc1cc(CNC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000895410837 970594378 /nfs/dbraw/zinc/59/43/78/970594378.db2.gz JSGSKDIWEPXOJR-FQEVSTJZSA-N 0 2 369.513 2.867 20 10 FFCDLN Cc1ncnc(C)c1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001191316795 1003781374 /nfs/dbraw/zinc/78/13/74/1003781374.db2.gz GIVWXZHWDMNFQZ-UHFFFAOYSA-N 0 2 373.368 2.827 20 10 FFCDLN CCc1cc(C(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)no1 ZINC001190004527 1007420503 /nfs/dbraw/zinc/42/05/03/1007420503.db2.gz YPQJMNKQAIJYIC-UHFFFAOYSA-N 0 2 362.341 2.970 20 10 FFCDLN CCOC(C)(C)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001181151764 1009995084 /nfs/dbraw/zinc/99/50/84/1009995084.db2.gz SFNVQKFDWCGOBS-UHFFFAOYSA-N 0 2 353.374 2.921 20 10 FFCDLN Cn1cc(-c2cc(F)ccc2NS(=O)(=O)c2cccc3nonc32)cn1 ZINC000794608510 1010440002 /nfs/dbraw/zinc/44/00/02/1010440002.db2.gz QXSGAJVRMXJDAK-UHFFFAOYSA-N 0 2 373.369 2.563 20 10 FFCDLN CC(=O)N1CCC[C@@]2(CN(Cc3cc(Cl)cc(Cl)c3O)CCO2)C1 ZINC001203580770 1030768805 /nfs/dbraw/zinc/76/88/05/1030768805.db2.gz XIMRRMQNKVEHBI-QGZVFWFLSA-N 0 2 373.280 2.912 20 10 FFCDLN CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])CCO2 ZINC001203580770 1030768819 /nfs/dbraw/zinc/76/88/19/1030768819.db2.gz XIMRRMQNKVEHBI-QGZVFWFLSA-N 0 2 373.280 2.912 20 10 FFCDLN CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CCO2 ZINC001203580770 1030768837 /nfs/dbraw/zinc/76/88/37/1030768837.db2.gz XIMRRMQNKVEHBI-QGZVFWFLSA-N 0 2 373.280 2.912 20 10 FFCDLN CO[C@H](C)COc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1 ZINC001227460360 1035563284 /nfs/dbraw/zinc/56/32/84/1035563284.db2.gz GDLNOYAOTYWBFP-SECBINFHSA-N 0 2 374.345 2.696 20 10 FFCDLN Oc1c(CN2CCCn3nnc(COCC4CC4)c3C2)ccc(F)c1F ZINC001233074939 1036320598 /nfs/dbraw/zinc/32/05/98/1036320598.db2.gz OSQOMSKSZBOUCF-UHFFFAOYSA-N 0 2 364.396 2.594 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC001233305903 1036511515 /nfs/dbraw/zinc/51/15/15/1036511515.db2.gz XTYZIEJJEGLPJJ-UHFFFAOYSA-N 0 2 358.232 2.552 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC001233305903 1036511520 /nfs/dbraw/zinc/51/15/20/1036511520.db2.gz XTYZIEJJEGLPJJ-UHFFFAOYSA-N 0 2 358.232 2.552 20 10 FFCDLN O=C([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001231454507 1037594735 /nfs/dbraw/zinc/59/47/35/1037594735.db2.gz YYXXYOPTOOZMQG-MRXNPFEDSA-N 0 2 354.397 2.786 20 10 FFCDLN CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)ccc1O ZINC001261072745 1040977531 /nfs/dbraw/zinc/97/75/31/1040977531.db2.gz DYEGHWAUMVRVJK-UHFFFAOYSA-N 0 2 367.770 2.585 20 10 FFCDLN O=c1[nH]oc2ccc(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc12 ZINC001261073810 1040981090 /nfs/dbraw/zinc/98/10/90/1040981090.db2.gz VFSOOYGFRMJJMB-UHFFFAOYSA-N 0 2 366.742 2.524 20 10 FFCDLN O=C(Cc1ccsc1)N1CCC12CN(Cc1ccc(F)c(F)c1O)C2 ZINC001279697623 1043488613 /nfs/dbraw/zinc/48/86/13/1043488613.db2.gz ONFVPQBCSVJLAH-UHFFFAOYSA-N 0 2 364.417 2.761 20 10 FFCDLN O=C(NCc1cccc(Cl)c1O)c1ncc(Br)cc1O ZINC001457035834 1060261056 /nfs/dbraw/zinc/26/10/56/1060261056.db2.gz KSJKZMDFTFFNPN-UHFFFAOYSA-N 0 2 357.591 2.839 20 10 FFCDLN O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1cccc2nsnc21 ZINC000014230889 506980035 /nfs/dbraw/zinc/98/00/35/506980035.db2.gz OJDVGTYEEHXTLZ-UHFFFAOYSA-N 0 2 371.447 2.737 20 10 FFCDLN COc1c(O)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000375690805 512457480 /nfs/dbraw/zinc/45/74/80/512457480.db2.gz IGCQHFHOPNASIT-MRXNPFEDSA-N 0 2 371.437 2.921 20 10 FFCDLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 ZINC000033321674 727928889 /nfs/dbraw/zinc/92/88/89/727928889.db2.gz GLBSNSXUBOLWKW-WQLSENKSSA-N 0 2 359.179 2.616 20 10 FFCDLN CC[C@H](C)NC(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000129108872 728710377 /nfs/dbraw/zinc/71/03/77/728710377.db2.gz FZTLZEOUMWXOMV-LBPRGKRZSA-N 0 2 374.312 2.731 20 10 FFCDLN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc(Cl)c1O ZINC000856213227 730316340 /nfs/dbraw/zinc/31/63/40/730316340.db2.gz YZYGATDRZRFPGO-UHFFFAOYSA-N 0 2 360.841 2.937 20 10 FFCDLN Cc1cc(C(=O)N2CCN(Cc3ccc(F)c(F)c3O)CC2)c(C)o1 ZINC000876624678 732262861 /nfs/dbraw/zinc/26/28/61/732262861.db2.gz OZRIHANCFBBTQR-UHFFFAOYSA-N 0 2 350.365 2.838 20 10 FFCDLN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774202 732765868 /nfs/dbraw/zinc/76/58/68/732765868.db2.gz FKIJHHBIKAMKEC-XPTSAGLGSA-N 0 2 364.243 2.860 20 10 FFCDLN COC(=O)C[N@H+](Cc1cc(C)cc(Br)c1[O-])C1CCOCC1 ZINC000781909098 738670769 /nfs/dbraw/zinc/67/07/69/738670769.db2.gz PQISAIAUXRICOQ-UHFFFAOYSA-N 0 2 372.259 2.617 20 10 FFCDLN COC(=O)C[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CCOCC1 ZINC000781909098 738670774 /nfs/dbraw/zinc/67/07/74/738670774.db2.gz PQISAIAUXRICOQ-UHFFFAOYSA-N 0 2 372.259 2.617 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1cnc2n1CCC2 ZINC000783595303 738817824 /nfs/dbraw/zinc/81/78/24/738817824.db2.gz OLCICEBXVWQLPI-UHFFFAOYSA-N 0 2 364.427 2.893 20 10 FFCDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000790411869 739450529 /nfs/dbraw/zinc/45/05/29/739450529.db2.gz RXXIFLWDQSWZAP-UHFFFAOYSA-N 0 2 368.367 2.509 20 10 FFCDLN O=S(=O)(N=S1(=O)CCCC1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000821190533 742598878 /nfs/dbraw/zinc/59/88/78/742598878.db2.gz AEJAGGBXTYPIQO-UHFFFAOYSA-N 0 2 359.256 2.618 20 10 FFCDLN C[C@@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1ccccc1O ZINC000827957346 745007197 /nfs/dbraw/zinc/00/71/97/745007197.db2.gz UPRPVQZZLDVRCZ-SECBINFHSA-N 0 2 356.300 2.655 20 10 FFCDLN CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c(F)ccc(F)c3O)C[C@@]2(F)C1=O ZINC001275951462 1013221128 /nfs/dbraw/zinc/22/11/28/1013221128.db2.gz KBHAGLVKWBTVKW-GPNNCHTKSA-N 0 2 360.351 2.543 20 10 FFCDLN Cc1ccnc(-c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)n1 ZINC000163628752 969715760 /nfs/dbraw/zinc/71/57/60/969715760.db2.gz OTSYBGNVDZIHLH-UHFFFAOYSA-N 0 2 367.390 2.789 20 10 FFCDLN [NH3+]C[C@H]1CCCCN(Cc2cccc(I)c2O)C1 ZINC001206640917 1031935045 /nfs/dbraw/zinc/93/50/45/1031935045.db2.gz OVZXRIQIGHTYOQ-LLVKDONJSA-N 0 2 360.239 2.558 20 10 FFCDLN Cc1occc1-c1cc(NCc2cc([N+](=O)[O-])ccc2O)n(CCO)n1 ZINC000237681204 991306559 /nfs/dbraw/zinc/30/65/59/991306559.db2.gz VHIDBOJURJUYOR-UHFFFAOYSA-N 0 2 358.354 2.670 20 10 FFCDLN [O-]c1cc(F)c(Br)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001144306827 998302186 /nfs/dbraw/zinc/30/21/86/998302186.db2.gz RYKGBXGDRXWYMC-UHFFFAOYSA-N 0 2 361.230 2.912 20 10 FFCDLN O=C([O-])c1cnn2c1[nH]c(C[N@H+](Cc1ccc(F)cc1F)C1CC1)cc2=O ZINC000846238572 1000241301 /nfs/dbraw/zinc/24/13/01/1000241301.db2.gz LXLOITHONZCOMG-UHFFFAOYSA-N 0 2 374.347 2.576 20 10 FFCDLN O=C([O-])c1cnn2c1[nH]c(C[N@@H+](Cc1ccc(F)cc1F)C1CC1)cc2=O ZINC000846238572 1000241305 /nfs/dbraw/zinc/24/13/05/1000241305.db2.gz LXLOITHONZCOMG-UHFFFAOYSA-N 0 2 374.347 2.576 20 10 FFCDLN CCOC(=O)c1nnc([C@@H](CC(C)C)[NH2+]Cc2cc(F)cc(F)c2O)[n-]1 ZINC001182653374 1002001895 /nfs/dbraw/zinc/00/18/95/1002001895.db2.gz IBOBXMQIUHBZRS-CYBMUJFWSA-N 0 2 368.384 2.842 20 10 FFCDLN C[C@H](CSCC[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001333184683 1048747593 /nfs/dbraw/zinc/74/75/93/1048747593.db2.gz CRZJMKPTRMJELJ-MRVPVSSYSA-N 0 2 366.252 2.837 20 10 FFCDLN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccncc2)cn1 ZINC001198321542 1004576670 /nfs/dbraw/zinc/57/66/70/1004576670.db2.gz VCNFHSCTFSEKIN-UHFFFAOYSA-N 0 2 353.403 2.817 20 10 FFCDLN Cc1ncc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)n1C ZINC001198400941 1004605447 /nfs/dbraw/zinc/60/54/47/1004605447.db2.gz VZVRNWQQSBBKGZ-UHFFFAOYSA-N 0 2 353.403 2.741 20 10 FFCDLN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392309 1023703779 /nfs/dbraw/zinc/70/37/79/1023703779.db2.gz NJQZXICEZJTHNK-OLZOCXBDSA-N 0 2 358.442 2.909 20 10 FFCDLN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000756392309 1023703784 /nfs/dbraw/zinc/70/37/84/1023703784.db2.gz NJQZXICEZJTHNK-OLZOCXBDSA-N 0 2 358.442 2.909 20 10 FFCDLN O=C(c1cccc(F)c1)N1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139684908 1035197582 /nfs/dbraw/zinc/19/75/82/1035197582.db2.gz RIBVQARTTNEHIE-UHFFFAOYSA-N 0 2 350.340 2.768 20 10 FFCDLN COCC(COC)Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001227507296 1035588244 /nfs/dbraw/zinc/58/82/44/1035588244.db2.gz WFEWQBRPLZGZNV-UHFFFAOYSA-N 0 2 372.373 2.911 20 10 FFCDLN Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@@H](C)C[NH+](C)C)c1C2=O ZINC001227995035 1035858398 /nfs/dbraw/zinc/85/83/98/1035858398.db2.gz QZLHNVNPRDVAKO-NSHDSACASA-N 0 2 355.390 2.511 20 10 FFCDLN Cn1cc2c(n1)CN(Cc1ccc(F)c(F)c1O)C[C@H]2COCC1CC1 ZINC001233074955 1036319485 /nfs/dbraw/zinc/31/94/85/1036319485.db2.gz PDLRKVHGCWNNCA-AWEZNQCLSA-N 0 2 363.408 2.930 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001233306420 1036512039 /nfs/dbraw/zinc/51/20/39/1036512039.db2.gz PZPLSAQKWRZXAK-XHVZSJERSA-N 0 2 358.207 2.731 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001233306420 1036512049 /nfs/dbraw/zinc/51/20/49/1036512049.db2.gz PZPLSAQKWRZXAK-XHVZSJERSA-N 0 2 358.207 2.731 20 10 FFCDLN COC[C@H](C)Oc1c(O)c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c21 ZINC001229701803 1036838441 /nfs/dbraw/zinc/83/84/41/1036838441.db2.gz ZXMITWAUBYIKMU-JTQLQIEISA-N 0 2 358.346 2.991 20 10 FFCDLN O=c1[nH]ccc2c(NS(=O)(=O)c3cccc4nsnc43)cccc12 ZINC001260387885 1040569912 /nfs/dbraw/zinc/56/99/12/1040569912.db2.gz ANFIOLKDKJZPGT-UHFFFAOYSA-N 0 2 358.404 2.746 20 10 FFCDLN COc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261065689 1040969060 /nfs/dbraw/zinc/96/90/60/1040969060.db2.gz AIYCHDMUUCBOJO-UHFFFAOYSA-N 0 2 353.787 2.994 20 10 FFCDLN O=S(=O)(Nc1ccc2c(c1)CCO2)c1ccc(Cl)c2nonc21 ZINC001261072787 1040978944 /nfs/dbraw/zinc/97/89/44/1040978944.db2.gz GYBWVSQTANRMBS-UHFFFAOYSA-N 0 2 351.771 2.612 20 10 FFCDLN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCc2n[nH]c(=O)[nH]2)c1 ZINC001323515524 1045621564 /nfs/dbraw/zinc/62/15/64/1045621564.db2.gz XKVMNRUDXXXKDP-UHFFFAOYSA-N 0 2 373.844 2.934 20 10 FFCDLN COc1ccc(-c2nc(NS(=O)(=O)c3ccnn3C)sc2C)cc1 ZINC000361597150 511070723 /nfs/dbraw/zinc/07/07/23/511070723.db2.gz KKDVFMPABDOKTK-UHFFFAOYSA-N 0 2 364.452 2.661 20 10 FFCDLN CCn1nccc1S(=O)(=O)Nc1nc(-c2sc(C)nc2C)cs1 ZINC000274403863 511822322 /nfs/dbraw/zinc/82/23/22/511822322.db2.gz FFKJOOSVGQSAPT-UHFFFAOYSA-N 0 2 369.497 2.901 20 10 FFCDLN COC(=O)c1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1C ZINC000530868162 518020672 /nfs/dbraw/zinc/02/06/72/518020672.db2.gz SHFZFJIPKNZTHP-UHFFFAOYSA-N 0 2 363.420 2.587 20 10 FFCDLN CC(=O)c1cc(F)cc(CN(C)Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000819834020 606184689 /nfs/dbraw/zinc/18/46/89/606184689.db2.gz KZTJTPZPCBCZAO-UHFFFAOYSA-N 0 2 355.373 2.546 20 10 FFCDLN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1cccc2nonc21 ZINC000162195944 728940518 /nfs/dbraw/zinc/94/05/18/728940518.db2.gz QAUYXIHEUNGAGV-UHFFFAOYSA-N 0 2 359.392 2.542 20 10 FFCDLN CC1(C)Oc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2O1 ZINC000047251028 728029449 /nfs/dbraw/zinc/02/94/49/728029449.db2.gz LBMBDZLCAYXDAG-UHFFFAOYSA-N 0 2 363.420 2.999 20 10 FFCDLN O=S(=O)(Nc1cccc(C2CCOCC2)c1)c1cccc2nonc21 ZINC000863426262 730779870 /nfs/dbraw/zinc/77/98/70/730779870.db2.gz AVPISASHYMIXFC-UHFFFAOYSA-N 0 2 359.407 2.918 20 10 FFCDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC000903249261 736067714 /nfs/dbraw/zinc/06/77/14/736067714.db2.gz VBTVPYWZBVGZNF-UHFFFAOYSA-N 0 2 366.493 2.813 20 10 FFCDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753522793 736074650 /nfs/dbraw/zinc/07/46/50/736074650.db2.gz ULEZPSTVGHWQIT-UHFFFAOYSA-N 0 2 367.339 2.572 20 10 FFCDLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(O)c(OC)c1 ZINC000790072190 739416588 /nfs/dbraw/zinc/41/65/88/739416588.db2.gz ZBDCMVSUEFNEPA-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000800839841 740554335 /nfs/dbraw/zinc/55/43/35/740554335.db2.gz QPHGVTXKKLWXEM-UHFFFAOYSA-N 0 2 358.375 2.528 20 10 FFCDLN O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)C1CC2(COC2)C1 ZINC001181614496 1010182170 /nfs/dbraw/zinc/18/21/70/1010182170.db2.gz CRNJXTVDAADJRW-UHFFFAOYSA-N 0 2 363.369 2.533 20 10 FFCDLN CC[C@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001275237463 1012127465 /nfs/dbraw/zinc/12/74/65/1012127465.db2.gz XNZVZVNOTJAOJN-NSHDSACASA-N 0 2 373.280 2.911 20 10 FFCDLN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(Cl)c1O ZINC001162540207 1028575570 /nfs/dbraw/zinc/57/55/70/1028575570.db2.gz UDWOABFRTBLYPO-UHFFFAOYSA-N 0 2 363.797 2.957 20 10 FFCDLN Cc1cc(CC(=O)Nc2cc3c(cc2O)C(=O)c2ccccc2C3=O)on1 ZINC001142211668 1030163423 /nfs/dbraw/zinc/16/34/23/1030163423.db2.gz HXVKGUBLIYPAFK-UHFFFAOYSA-N 0 2 362.341 2.645 20 10 FFCDLN CC(C)C(=O)N1CCC[C@]2(CN(Cc3c(O)cc(F)cc3F)CCO2)C1 ZINC001140580765 1035661641 /nfs/dbraw/zinc/66/16/41/1035661641.db2.gz KESKAGWFOJRXJU-IBGZPJMESA-N 0 2 368.424 2.520 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCOC[C@@H]2C(C)C)c1 ZINC001233308584 1036514518 /nfs/dbraw/zinc/51/45/18/1036514518.db2.gz WXPRDUJHHFGERZ-CQSZACIVSA-N 0 2 372.259 2.798 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCOC[C@@H]2C(C)C)c1 ZINC001233308584 1036514525 /nfs/dbraw/zinc/51/45/25/1036514525.db2.gz WXPRDUJHHFGERZ-CQSZACIVSA-N 0 2 372.259 2.798 20 10 FFCDLN O=C([O-])c1ccc(C[N@@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)c(O)c1 ZINC001231453079 1037593800 /nfs/dbraw/zinc/59/38/00/1037593800.db2.gz BNFHVIHFFWQYNJ-UHFFFAOYSA-N 0 2 360.797 2.593 20 10 FFCDLN O=C([O-])c1ccc(C[N@H+]2CCN(c3ccc(Cl)cc3)C(=O)C2)c(O)c1 ZINC001231453079 1037593810 /nfs/dbraw/zinc/59/38/10/1037593810.db2.gz BNFHVIHFFWQYNJ-UHFFFAOYSA-N 0 2 360.797 2.593 20 10 FFCDLN CCCCN1C[C@@]2(CCN(Cc3c(O)ccc(F)c3Cl)C2)OCC1=O ZINC001278023223 1038333245 /nfs/dbraw/zinc/33/32/45/1038333245.db2.gz OXFAZHLZWOMGBB-SFHVURJKSA-N 0 2 370.852 2.788 20 10 FFCDLN O=c1ccc2cccc(NS(=O)(=O)c3cccc4nsnc43)c2[nH]1 ZINC001260388833 1040571429 /nfs/dbraw/zinc/57/14/29/1040571429.db2.gz CFXSJEYVJPSUDU-UHFFFAOYSA-N 0 2 358.404 2.746 20 10 FFCDLN CC1(C)COC(c2cccc(NS(=O)(=O)c3cccc4nonc43)c2)=N1 ZINC001260442337 1040594964 /nfs/dbraw/zinc/59/49/64/1040594964.db2.gz XSCHRWXVQBRFCE-UHFFFAOYSA-N 0 2 372.406 2.579 20 10 FFCDLN CC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261070887 1040975899 /nfs/dbraw/zinc/97/58/99/1040975899.db2.gz AMPMFXLOYRTQAE-UHFFFAOYSA-N 0 2 351.771 2.880 20 10 FFCDLN COc1ccc(N2CCN(c3c4ccccc4[nH+]nc3C(=O)[O-])CC2)cc1 ZINC000738101845 1048668042 /nfs/dbraw/zinc/66/80/42/1048668042.db2.gz NPFWYUROOSGADY-UHFFFAOYSA-N 0 2 364.405 2.663 20 10 FFCDLN C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)[C@@H](C(N)=O)C1 ZINC001308705171 1052489113 /nfs/dbraw/zinc/48/91/13/1052489113.db2.gz ITSPNENIDHSVPH-PRHODGIISA-N 0 2 361.667 2.894 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417203 1061314563 /nfs/dbraw/zinc/31/45/63/1061314563.db2.gz KMZFRKTVFZNPHX-AWEZNQCLSA-N 0 2 367.218 2.918 20 10 FFCDLN C=CC(=O)Nc1ccc(O)c(C(=O)C(=O)CC(C)(C)CC(=O)OCC)c1 ZINC001556515885 1075748916 /nfs/dbraw/zinc/74/89/16/1075748916.db2.gz QOVJWHKIAWYEIJ-UHFFFAOYSA-N 0 2 361.394 2.638 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@H+]2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267669 1080454348 /nfs/dbraw/zinc/45/43/48/1080454348.db2.gz HFTHJXUVJDDMGM-JSTZJWCRSA-N 0 2 367.829 2.843 20 10 FFCDLN CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)c1O ZINC001589267669 1080454360 /nfs/dbraw/zinc/45/43/60/1080454360.db2.gz HFTHJXUVJDDMGM-JSTZJWCRSA-N 0 2 367.829 2.843 20 10 FFCDLN O=C(NCc1cccc(Br)c1O)N[C@H]1CCCc2cn[nH]c21 ZINC000277713770 510970887 /nfs/dbraw/zinc/97/08/87/510970887.db2.gz JGOSARQBGJTBJF-LBPRGKRZSA-N 0 2 365.231 2.755 20 10 FFCDLN COCc1nc([C@H]2COCCN2Cc2cc(Cl)cc(Cl)c2O)no1 ZINC000374789763 513004354 /nfs/dbraw/zinc/00/43/54/513004354.db2.gz YGEPIXFIFZUINH-GFCCVEGCSA-N 0 2 374.224 2.802 20 10 FFCDLN CCc1n[nH]c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000583851105 519465164 /nfs/dbraw/zinc/46/51/64/519465164.db2.gz ODDXOIVGHOSQJS-UHFFFAOYSA-N 0 2 366.469 2.727 20 10 FFCDLN CCc1n[nH]c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000583851105 519465169 /nfs/dbraw/zinc/46/51/69/519465169.db2.gz ODDXOIVGHOSQJS-UHFFFAOYSA-N 0 2 366.469 2.727 20 10 FFCDLN COC(=O)c1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)oc1C ZINC000737654673 600314948 /nfs/dbraw/zinc/31/49/48/600314948.db2.gz WBASUZLCUSGJNI-UHFFFAOYSA-N 0 2 367.785 2.820 20 10 FFCDLN COC(=O)c1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)oc1C ZINC000737654673 600314951 /nfs/dbraw/zinc/31/49/51/600314951.db2.gz WBASUZLCUSGJNI-UHFFFAOYSA-N 0 2 367.785 2.820 20 10 FFCDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cs1 ZINC000119968325 728603245 /nfs/dbraw/zinc/60/32/45/728603245.db2.gz FKGHVJSAPGVNNW-UHFFFAOYSA-N 0 2 368.421 2.976 20 10 FFCDLN Cn1ncc(NC(=O)OC(C)(C)C)c1CNCc1c(O)cccc1F ZINC000896642069 735177622 /nfs/dbraw/zinc/17/76/22/735177622.db2.gz POJJODHLTPMWIS-UHFFFAOYSA-N 0 2 350.394 2.902 20 10 FFCDLN O=C(N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2ccccc2O)C1)C(F)(F)F ZINC000896786513 735183340 /nfs/dbraw/zinc/18/33/40/735183340.db2.gz JDKFBYURRPNBKV-ZYHUDNBSSA-N 0 2 370.293 2.966 20 10 FFCDLN CCOC(=O)Nc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000765054313 737077275 /nfs/dbraw/zinc/07/72/75/737077275.db2.gz MIIPXWPSCSJFKE-UHFFFAOYSA-N 0 2 362.367 2.592 20 10 FFCDLN CSc1cc(O)ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000792703630 739695916 /nfs/dbraw/zinc/69/59/16/739695916.db2.gz ZTIQMQSFWSGALS-UHFFFAOYSA-N 0 2 367.374 2.674 20 10 FFCDLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1OCC ZINC000799539796 740427604 /nfs/dbraw/zinc/42/76/04/740427604.db2.gz ATZINMIQDRGXBK-UHFFFAOYSA-N 0 2 365.407 2.768 20 10 FFCDLN O=C(NCc1n[nH]c(C2CC2)n1)NCc1cc(Cl)cc(Cl)c1O ZINC000838646658 746683644 /nfs/dbraw/zinc/68/36/44/746683644.db2.gz SKAMHKDWBQPMDV-UHFFFAOYSA-N 0 2 356.213 2.694 20 10 FFCDLN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1F ZINC000055679229 845337950 /nfs/dbraw/zinc/33/79/50/845337950.db2.gz KJSSZSSITNLIST-UHFFFAOYSA-N 0 2 372.368 2.741 20 10 FFCDLN CCOC(=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)o1 ZINC001596720799 984964980 /nfs/dbraw/zinc/96/49/80/984964980.db2.gz PQBPLFDRGNUXIX-UHFFFAOYSA-N 0 2 367.785 2.902 20 10 FFCDLN CCOC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)o1 ZINC001596720799 984964983 /nfs/dbraw/zinc/96/49/83/984964983.db2.gz PQBPLFDRGNUXIX-UHFFFAOYSA-N 0 2 367.785 2.902 20 10 FFCDLN COCC[C@H]1COCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000812300897 995410531 /nfs/dbraw/zinc/41/05/31/995410531.db2.gz BCDXNOINVGXRBU-INIZCTEOSA-N 0 2 371.433 2.566 20 10 FFCDLN COCC[C@H]1COCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000812300897 995410533 /nfs/dbraw/zinc/41/05/33/995410533.db2.gz BCDXNOINVGXRBU-INIZCTEOSA-N 0 2 371.433 2.566 20 10 FFCDLN Oc1c(CN2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)ccc(F)c1F ZINC001182480004 1001927843 /nfs/dbraw/zinc/92/78/43/1001927843.db2.gz NOQNHRXIOQAWFG-BETUJISGSA-N 0 2 355.287 2.973 20 10 FFCDLN CC(C)N1CC[C@H]1C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001182851871 1002084261 /nfs/dbraw/zinc/08/42/61/1002084261.db2.gz LEPMLBJZGORVJX-KRWDZBQOSA-N 0 2 364.401 2.589 20 10 FFCDLN COC(=O)c1cccc(C)c1S(=O)(=O)Nc1cc(F)c(O)c(F)c1 ZINC001197031584 1004054691 /nfs/dbraw/zinc/05/46/91/1004054691.db2.gz SLPJBILSMFLQMK-UHFFFAOYSA-N 0 2 357.334 2.566 20 10 FFCDLN O=S(=O)(Nc1nc(-c2ccncc2)cs1)c1cccc2nccnc21 ZINC001194932920 1004857419 /nfs/dbraw/zinc/85/74/19/1004857419.db2.gz MKGQHLBTVQSWCE-UHFFFAOYSA-N 0 2 369.431 2.949 20 10 FFCDLN CCOC(=O)c1ccncc1S(=O)(=O)Nc1ccc(O)c2ccccc12 ZINC001195638699 1005005231 /nfs/dbraw/zinc/00/52/31/1005005231.db2.gz SVAMPTLJQRWXRD-UHFFFAOYSA-N 0 2 372.402 2.918 20 10 FFCDLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1OC ZINC001190583283 1007709147 /nfs/dbraw/zinc/70/91/47/1007709147.db2.gz YPUDNADUGHJPDD-UHFFFAOYSA-N 0 2 371.798 2.642 20 10 FFCDLN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(F)c(O)c(F)c1 ZINC000856211815 1007727668 /nfs/dbraw/zinc/72/76/68/1007727668.db2.gz AHGBRWVXDGQDCW-UHFFFAOYSA-N 0 2 362.376 2.562 20 10 FFCDLN Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137836057 1033174290 /nfs/dbraw/zinc/17/42/90/1033174290.db2.gz UGIYYWKVKCWKMI-DYESRHJHSA-N 0 2 371.456 2.649 20 10 FFCDLN Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137836057 1033174296 /nfs/dbraw/zinc/17/42/96/1033174296.db2.gz UGIYYWKVKCWKMI-DYESRHJHSA-N 0 2 371.456 2.649 20 10 FFCDLN Cc1cc(CC(=O)N[C@H](C)c2nn(C)cc2O)c(C)n1-c1ccccc1 ZINC001158308020 1029793766 /nfs/dbraw/zinc/79/37/66/1029793766.db2.gz UWJGOZXUBNKYGS-CQSZACIVSA-N 0 2 352.438 2.953 20 10 FFCDLN CN(C)C(=O)NCCc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC001203345630 1030675588 /nfs/dbraw/zinc/67/55/88/1030675588.db2.gz IOASDJVMOPGNAW-UHFFFAOYSA-N 0 2 358.398 2.726 20 10 FFCDLN O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139683132 1031922939 /nfs/dbraw/zinc/92/29/39/1031922939.db2.gz IBLLGJOJVGXWBR-CYBMUJFWSA-N 0 2 353.390 2.719 20 10 FFCDLN O=C1OC[C@@H](COc2c(O)c(O)cc3oc(-c4ccccc4)cc(=O)c32)O1 ZINC001227503377 1035588771 /nfs/dbraw/zinc/58/87/71/1035588771.db2.gz BXINNLCJKVMDPU-LLVKDONJSA-N 0 2 370.313 2.785 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001236669555 1038182777 /nfs/dbraw/zinc/18/27/77/1038182777.db2.gz OUHMPNIUGUFDCG-HNNXBMFYSA-N 0 2 355.232 2.538 20 10 FFCDLN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC001236669555 1038182782 /nfs/dbraw/zinc/18/27/82/1038182782.db2.gz OUHMPNIUGUFDCG-HNNXBMFYSA-N 0 2 355.232 2.538 20 10 FFCDLN CC(C)(C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251409326 1039114500 /nfs/dbraw/zinc/11/45/00/1039114500.db2.gz PFDIZAXAHLAFJX-UHFFFAOYSA-N 0 2 367.298 2.804 20 10 FFCDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)cc1F ZINC001261066509 1040972745 /nfs/dbraw/zinc/97/27/45/1040972745.db2.gz ZTVALZKVZLWJNU-UHFFFAOYSA-N 0 2 357.750 2.825 20 10 FFCDLN C[C@@H]1c2nc(C(N)=O)cn2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001279972329 1044012416 /nfs/dbraw/zinc/01/24/16/1044012416.db2.gz OPDCZBGVMXMWBI-MRVPVSSYSA-N 0 2 355.225 2.571 20 10 FFCDLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1ccc(N)cc1 ZINC001345752038 1052600906 /nfs/dbraw/zinc/60/09/06/1052600906.db2.gz VCEDGDSPMJULGM-UHFFFAOYSA-N 0 2 356.451 2.960 20 10 FFCDLN COc1ccccc1[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1noc(C)n1 ZINC000113958707 508288347 /nfs/dbraw/zinc/28/83/47/508288347.db2.gz GYKMXFCWIYBSFI-KRWDZBQOSA-N 0 2 370.365 2.880 20 10 FFCDLN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000176978574 509795996 /nfs/dbraw/zinc/79/59/96/509795996.db2.gz MEXWPBYPNOMDBL-UHFFFAOYSA-N 0 2 362.376 2.779 20 10 FFCDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000271350320 511173464 /nfs/dbraw/zinc/17/34/64/511173464.db2.gz FXSNVNYXJGQGSZ-UHFFFAOYSA-N 0 2 374.509 2.927 20 10 FFCDLN CCc1nc(CN2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)no1 ZINC000093283752 728475242 /nfs/dbraw/zinc/47/52/42/728475242.db2.gz NJWYRFJRRQZMHU-UHFFFAOYSA-N 0 2 371.268 2.962 20 10 FFCDLN CCc1nc(CN2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)no1 ZINC000093283752 728475247 /nfs/dbraw/zinc/47/52/47/728475247.db2.gz NJWYRFJRRQZMHU-UHFFFAOYSA-N 0 2 371.268 2.962 20 10 FFCDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000127812887 728707360 /nfs/dbraw/zinc/70/73/60/728707360.db2.gz NOEMDQBBHOVJQA-UHFFFAOYSA-N 0 2 364.404 2.991 20 10 FFCDLN Cc1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000743046385 735274337 /nfs/dbraw/zinc/27/43/37/735274337.db2.gz FAPNROMAGHTAMO-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792703021 739695852 /nfs/dbraw/zinc/69/58/52/739695852.db2.gz ODWISFNFFFQXSR-UHFFFAOYSA-N 0 2 371.436 2.857 20 10 FFCDLN COc1ccccc1-c1csc(NS(=O)(=O)c2cnn(C)c2C)n1 ZINC000794015381 739840526 /nfs/dbraw/zinc/84/05/26/739840526.db2.gz CZJBMVIGKKBZSW-UHFFFAOYSA-N 0 2 364.452 2.661 20 10 FFCDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115707 741188301 /nfs/dbraw/zinc/18/83/01/741188301.db2.gz PCLCPAZWWTWEND-UHFFFAOYSA-N 0 2 361.826 2.844 20 10 FFCDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000808526532 741232484 /nfs/dbraw/zinc/23/24/84/741232484.db2.gz QOSNZKGHKWKWSF-UHFFFAOYSA-N 0 2 352.416 2.792 20 10 FFCDLN COCc1cc(CN[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000838944948 746742930 /nfs/dbraw/zinc/74/29/30/746742930.db2.gz QJWGQUPLCDCVRP-OAHLLOKOSA-N 0 2 365.861 2.934 20 10 FFCDLN CCCOC(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000014256687 845027136 /nfs/dbraw/zinc/02/71/36/845027136.db2.gz DNKXAWVBRSVOIU-UHFFFAOYSA-N 0 2 361.379 2.590 20 10 FFCDLN C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000762584326 988491564 /nfs/dbraw/zinc/49/15/64/988491564.db2.gz ITJVVDRJJDJHIS-GFCCVEGCSA-N 0 2 362.376 2.998 20 10 FFCDLN CNC(=O)CCOc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000757594119 1023833467 /nfs/dbraw/zinc/83/34/67/1023833467.db2.gz OUEMNUUMYQUTQP-LBPRGKRZSA-N 0 2 359.382 2.988 20 10 FFCDLN O=C([O-])/C=C\c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000784252110 1030535808 /nfs/dbraw/zinc/53/58/08/1030535808.db2.gz NOWKQXOYXRCUAW-XQRVVYSFSA-N 0 2 357.366 2.608 20 10 FFCDLN [O-]c1c(F)cccc1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125498 1033802388 /nfs/dbraw/zinc/80/23/88/1033802388.db2.gz QPUCDPQAXVQIAG-NLWGTHIKSA-N 0 2 358.413 2.875 20 10 FFCDLN [O-]c1c(F)cccc1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001138125498 1033802399 /nfs/dbraw/zinc/80/23/99/1033802399.db2.gz QPUCDPQAXVQIAG-NLWGTHIKSA-N 0 2 358.413 2.875 20 10 FFCDLN Oc1c(F)ccc(F)c1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001139681798 1035196765 /nfs/dbraw/zinc/19/67/65/1035196765.db2.gz YMCBTGVXCCENSQ-FRQCXROJSA-N 0 2 362.376 2.876 20 10 FFCDLN CCOC(=O)c1cnc2n1CCN(Cc1c(F)ccc(F)c1O)[C@H]2C ZINC001139686758 1035197786 /nfs/dbraw/zinc/19/77/86/1035197786.db2.gz DUAFWEKEXODQDR-JTQLQIEISA-N 0 2 351.353 2.620 20 10 FFCDLN COC[C@H]1CN(Cc2c(F)ccc(F)c2O)CCN1C(=O)OC(C)(C)C ZINC001139685544 1035197802 /nfs/dbraw/zinc/19/78/02/1035197802.db2.gz NKJIQPNKWBDWOH-GFCCVEGCSA-N 0 2 372.412 2.738 20 10 FFCDLN CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2c(O)cc(F)cc2F)CCO1 ZINC001140583199 1035664827 /nfs/dbraw/zinc/66/48/27/1035664827.db2.gz YUEJUPXVZAXJFL-ZDUSSCGKSA-N 0 2 372.412 2.786 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001233306133 1036512070 /nfs/dbraw/zinc/51/20/70/1036512070.db2.gz GTHFDGGMHCVQDK-JTQLQIEISA-N 0 2 370.243 2.742 20 10 FFCDLN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001233306133 1036512083 /nfs/dbraw/zinc/51/20/83/1036512083.db2.gz GTHFDGGMHCVQDK-JTQLQIEISA-N 0 2 370.243 2.742 20 10 FFCDLN O=C([O-])c1ccc(C[N@@H+]2CCc3nc(Br)sc3C2)c(O)c1 ZINC001231452984 1037595454 /nfs/dbraw/zinc/59/54/54/1037595454.db2.gz YVRUURBSBIVDKW-UHFFFAOYSA-N 0 2 369.240 2.868 20 10 FFCDLN O=C([O-])c1ccc(C[N@H+]2CCc3nc(Br)sc3C2)c(O)c1 ZINC001231452984 1037595462 /nfs/dbraw/zinc/59/54/62/1037595462.db2.gz YVRUURBSBIVDKW-UHFFFAOYSA-N 0 2 369.240 2.868 20 10 FFCDLN O=C1c2ccccc2C(=O)c2cc(NS(=O)(=O)C3CCCC3)c(O)cc21 ZINC001259800203 1040206774 /nfs/dbraw/zinc/20/67/74/1040206774.db2.gz CNCQOALKBSZQKG-UHFFFAOYSA-N 0 2 371.414 2.852 20 10 FFCDLN Cc1cc2nsnc2cc1NS(=O)(=O)c1cccc2nsnc21 ZINC001260388713 1040571571 /nfs/dbraw/zinc/57/15/71/1040571571.db2.gz VIPOXSVRTFWLPM-UHFFFAOYSA-N 0 2 363.449 2.805 20 10 FFCDLN Cc1cn(-c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2F)cn1 ZINC001260441309 1040591849 /nfs/dbraw/zinc/59/18/49/1040591849.db2.gz BCVWYBPSFNVZRB-UHFFFAOYSA-N 0 2 373.369 2.657 20 10 FFCDLN O=S(=O)(Nc1cccc(F)c1N1CCCC1)c1cccc2nonc21 ZINC001260442349 1040594293 /nfs/dbraw/zinc/59/42/93/1040594293.db2.gz YLLMINJKZDFRAM-UHFFFAOYSA-N 0 2 362.386 2.763 20 10 FFCDLN O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c4nonc43)cc2o1 ZINC001261071060 1040974169 /nfs/dbraw/zinc/97/41/69/1040974169.db2.gz JTOJXPLDAYJVRW-UHFFFAOYSA-N 0 2 366.742 2.524 20 10 FFCDLN Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001237971483 1043464854 /nfs/dbraw/zinc/46/48/54/1043464854.db2.gz YFAHWIVTJSBBKZ-UHFFFAOYSA-N 0 2 360.729 2.537 20 10 FFCDLN CN(C)C(=O)[C@@H]1CCC2(CN(Cc3cc(Cl)cc(Cl)c3O)C2)O1 ZINC001279975215 1044018287 /nfs/dbraw/zinc/01/82/87/1044018287.db2.gz CPTOJMHRNOQQGY-ZDUSSCGKSA-N 0 2 359.253 2.521 20 10 FFCDLN O=C([O-])c1n[nH+]c2ccccc2c1NCc1ccc(N2CCOCC2)cc1 ZINC000738709240 1048694259 /nfs/dbraw/zinc/69/42/59/1048694259.db2.gz GFVGKQFFBHQEJV-UHFFFAOYSA-N 0 2 364.405 2.777 20 10 FFCDLN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(Cl)cc(Br)c1O ZINC001308844390 1052506994 /nfs/dbraw/zinc/50/69/94/1052506994.db2.gz KQTPGOOQIVNFSL-DJLDLDEBSA-N 0 2 361.667 2.905 20 10 FFCDLN