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)([N-]Cc1ccc(OCC2CC2)nc1)c1ccc(F)c(F)c1 ZINC000159774657 508888795 /nfs/dbraw/zinc/88/87/95/508888795.db2.gz URGJTRSWOUGPKU-UHFFFAOYSA-N -1 3 354.378 2.627 20 70 FFIDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@H]1CCC[C@@H]1O ZINC000159863327 508902458 /nfs/dbraw/zinc/90/24/58/508902458.db2.gz ISAISHXMXUHWPX-YPMHNXCESA-N -1 3 359.451 2.837 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)c1nccs1 ZINC000159985936 508921130 /nfs/dbraw/zinc/92/11/30/508921130.db2.gz YKPGAMWDKOIMOZ-LBPRGKRZSA-N -1 3 354.453 2.668 20 70 FFIDHM C[C@H](OC1CCCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160064563 508933265 /nfs/dbraw/zinc/93/32/65/508933265.db2.gz WCOFJFXNZQGNPP-INIZCTEOSA-N -1 3 374.481 2.805 20 70 FFIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000160338865 508972840 /nfs/dbraw/zinc/97/28/40/508972840.db2.gz YHMBWLAQSVUPAP-LLVKDONJSA-N -1 3 356.669 2.542 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)N3CCc4ccccc43)CC2)n1 ZINC000161014087 509060195 /nfs/dbraw/zinc/06/01/95/509060195.db2.gz KESAWUATLSKMTQ-UHFFFAOYSA-N -1 3 366.465 2.546 20 70 FFIDHM C[C@]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)(C(N)=O)c1ccccc1 ZINC000161228209 509088735 /nfs/dbraw/zinc/08/87/35/509088735.db2.gz OMGWMLADSCXEMU-OAHLLOKOSA-N -1 3 373.261 2.672 20 70 FFIDHM COc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2[O-])N2CCCC2)cc1 ZINC000218279652 509277248 /nfs/dbraw/zinc/27/72/48/509277248.db2.gz DCMXGMOQFAKGFA-LJQANCHMSA-N -1 3 370.449 2.976 20 70 FFIDHM Cc1cccc(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c1Cl ZINC000159537808 508854417 /nfs/dbraw/zinc/85/44/17/508854417.db2.gz GICFHACBOBIDLO-UHFFFAOYSA-N -1 3 373.887 2.810 20 70 FFIDHM CCN(Cc1cccc(F)c1)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000159542475 508855590 /nfs/dbraw/zinc/85/55/90/508855590.db2.gz SFUAIWZGBKXAJS-HXUWFJFHSA-N -1 3 369.396 2.543 20 70 FFIDHM O=S(=O)([N-]CCc1ccccc1O)c1ccc(F)cc1Br ZINC000159655413 508871852 /nfs/dbraw/zinc/87/18/52/508871852.db2.gz UUIBTGJUGYXLBV-UHFFFAOYSA-N -1 3 374.231 2.815 20 70 FFIDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2c(C)noc2C)c1 ZINC000159848042 508900178 /nfs/dbraw/zinc/90/01/78/508900178.db2.gz KOKIYRWGYULGAK-VIFPVBQESA-N -1 3 358.847 2.863 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCCNC(=O)NC3CCCCC3)[n-]2)o1 ZINC000160183457 508950833 /nfs/dbraw/zinc/95/08/33/508950833.db2.gz HZSJDYDVGBBPHR-UHFFFAOYSA-N -1 3 374.445 2.724 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCNC(=O)NC3CCCCC3)n2)o1 ZINC000160183457 508950835 /nfs/dbraw/zinc/95/08/35/508950835.db2.gz HZSJDYDVGBBPHR-UHFFFAOYSA-N -1 3 374.445 2.724 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCCNC(=O)NC3CCCCC3)n[n-]2)o1 ZINC000160183457 508950838 /nfs/dbraw/zinc/95/08/38/508950838.db2.gz HZSJDYDVGBBPHR-UHFFFAOYSA-N -1 3 374.445 2.724 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3cc4ccccc4[nH]c3=O)[n-]2)o1 ZINC000160341088 508973437 /nfs/dbraw/zinc/97/34/37/508973437.db2.gz SYASUSYQVZJAEO-UHFFFAOYSA-N -1 3 363.377 2.786 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3cc4ccccc4[nH]c3=O)n2)o1 ZINC000160341088 508973438 /nfs/dbraw/zinc/97/34/38/508973438.db2.gz SYASUSYQVZJAEO-UHFFFAOYSA-N -1 3 363.377 2.786 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCc3cc4ccccc4[nH]c3=O)n[n-]2)o1 ZINC000160341088 508973442 /nfs/dbraw/zinc/97/34/42/508973442.db2.gz SYASUSYQVZJAEO-UHFFFAOYSA-N -1 3 363.377 2.786 20 70 FFIDHM CC(=O)N(CCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)Cc1ccccc1 ZINC000160427931 508985103 /nfs/dbraw/zinc/98/51/03/508985103.db2.gz QCFPMCYKLFPSRA-UHFFFAOYSA-N -1 3 367.409 2.750 20 70 FFIDHM CC(=O)N(CCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)Cc1ccccc1 ZINC000160427931 508985107 /nfs/dbraw/zinc/98/51/07/508985107.db2.gz QCFPMCYKLFPSRA-UHFFFAOYSA-N -1 3 367.409 2.750 20 70 FFIDHM CC(=O)N(CCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)Cc1ccccc1 ZINC000160427931 508985111 /nfs/dbraw/zinc/98/51/11/508985111.db2.gz QCFPMCYKLFPSRA-UHFFFAOYSA-N -1 3 367.409 2.750 20 70 FFIDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160884792 509043503 /nfs/dbraw/zinc/04/35/03/509043503.db2.gz QVCDPXIMTCGGNQ-UHFFFAOYSA-N -1 3 357.377 2.884 20 70 FFIDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160884792 509043506 /nfs/dbraw/zinc/04/35/06/509043506.db2.gz QVCDPXIMTCGGNQ-UHFFFAOYSA-N -1 3 357.377 2.884 20 70 FFIDHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160884792 509043509 /nfs/dbraw/zinc/04/35/09/509043509.db2.gz QVCDPXIMTCGGNQ-UHFFFAOYSA-N -1 3 357.377 2.884 20 70 FFIDHM C[C@]1(c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000161221425 509088222 /nfs/dbraw/zinc/08/82/22/509088222.db2.gz UFRJAQGGLHGQPN-QGZVFWFLSA-N -1 3 361.760 2.786 20 70 FFIDHM Cc1ccc(/C=C/C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000216741457 509264558 /nfs/dbraw/zinc/26/45/58/509264558.db2.gz IKSYRSLMAAUMDS-VOTSOKGWSA-N -1 3 354.372 2.925 20 70 FFIDHM COc1ccccc1N1CC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)C1=O ZINC000159530099 508853895 /nfs/dbraw/zinc/85/38/95/508853895.db2.gz YUSDZUGSBDZDIS-HNNXBMFYSA-N -1 3 374.824 2.518 20 70 FFIDHM Cn1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)nc1Cl ZINC000159853074 508900976 /nfs/dbraw/zinc/90/09/76/508900976.db2.gz MHSTYJYQLOOOLF-TZMCWYRMSA-N -1 3 369.874 2.520 20 70 FFIDHM Cc1[nH]c2ccccc2c1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160226473 508956585 /nfs/dbraw/zinc/95/65/85/508956585.db2.gz HTGLDVRRMDVVNZ-UHFFFAOYSA-N -1 3 363.417 2.780 20 70 FFIDHM COC(=O)c1ccc(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160299961 508966646 /nfs/dbraw/zinc/96/66/46/508966646.db2.gz BMBXNMAGJAGJIH-UHFFFAOYSA-N -1 3 354.366 2.731 20 70 FFIDHM COC(=O)c1ccc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160299961 508966648 /nfs/dbraw/zinc/96/66/48/508966648.db2.gz BMBXNMAGJAGJIH-UHFFFAOYSA-N -1 3 354.366 2.731 20 70 FFIDHM COC(=O)c1ccc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160299961 508966651 /nfs/dbraw/zinc/96/66/51/508966651.db2.gz BMBXNMAGJAGJIH-UHFFFAOYSA-N -1 3 354.366 2.731 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)NC(=O)CC3CCCCC3)[n-]2)o1 ZINC000160351903 508975314 /nfs/dbraw/zinc/97/53/14/508975314.db2.gz CNDZIFUYKWRGDI-LBPRGKRZSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)NC(=O)CC3CCCCC3)n2)o1 ZINC000160351903 508975316 /nfs/dbraw/zinc/97/53/16/508975316.db2.gz CNDZIFUYKWRGDI-LBPRGKRZSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@H](C)NC(=O)CC3CCCCC3)n[n-]2)o1 ZINC000160351903 508975317 /nfs/dbraw/zinc/97/53/17/508975317.db2.gz CNDZIFUYKWRGDI-LBPRGKRZSA-N -1 3 359.430 2.787 20 70 FFIDHM CC(C)C[C@H]1CCCCN1C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000160410499 508983060 /nfs/dbraw/zinc/98/30/60/508983060.db2.gz FKWQVIWAXSMZQE-OXQOHEQNSA-N -1 3 357.454 2.782 20 70 FFIDHM O=C(NCc1ccc([O-])c(F)c1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160733075 509026178 /nfs/dbraw/zinc/02/61/78/509026178.db2.gz INBOKACAKUPVLL-UHFFFAOYSA-N -1 3 365.364 2.848 20 70 FFIDHM CC(C)(C)c1nnc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000160823939 509037163 /nfs/dbraw/zinc/03/71/63/509037163.db2.gz IUQWJYQDVNMJRM-UHFFFAOYSA-N -1 3 372.447 2.599 20 70 FFIDHM Cc1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c(C)s1 ZINC000160858813 509040615 /nfs/dbraw/zinc/04/06/15/509040615.db2.gz MWRWNOOAJMAACE-UHFFFAOYSA-N -1 3 369.859 2.795 20 70 FFIDHM O=S(=O)([N-][C@H]1CCN(c2ccccn2)C1)c1cc(Cl)cc(Cl)c1 ZINC000159379421 508833245 /nfs/dbraw/zinc/83/32/45/508833245.db2.gz WJZIZLYKMMAILA-ZDUSSCGKSA-N -1 3 372.277 2.946 20 70 FFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000159830533 508897869 /nfs/dbraw/zinc/89/78/69/508897869.db2.gz WWQSZVOXONRSOI-QMMMGPOBSA-N -1 3 352.441 2.927 20 70 FFIDHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000159945344 508914861 /nfs/dbraw/zinc/91/48/61/508914861.db2.gz GBBNVJMTRZQAFH-GFCCVEGCSA-N -1 3 373.833 2.506 20 70 FFIDHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000160318762 508969948 /nfs/dbraw/zinc/96/99/48/508969948.db2.gz PKWXZEMITJKEMB-DGCLKSJQSA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000160318762 508969950 /nfs/dbraw/zinc/96/99/50/508969950.db2.gz PKWXZEMITJKEMB-DGCLKSJQSA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000160318762 508969952 /nfs/dbraw/zinc/96/99/52/508969952.db2.gz PKWXZEMITJKEMB-DGCLKSJQSA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000160431909 508985760 /nfs/dbraw/zinc/98/57/60/508985760.db2.gz SDJUKZZRZKVJOO-MRXNPFEDSA-N -1 3 374.481 2.819 20 70 FFIDHM CCc1cc(=O)[n-]c(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000160728340 509024997 /nfs/dbraw/zinc/02/49/97/509024997.db2.gz JUICSQJXPZYESG-UHFFFAOYSA-N -1 3 366.465 2.801 20 70 FFIDHM CC(C)c1cc(C(=O)[N-]c2ccc(S(=O)(=O)NC(C)(C)C)cn2)on1 ZINC000160928633 509049777 /nfs/dbraw/zinc/04/97/77/509049777.db2.gz YHOJEBRGVNPTOR-UHFFFAOYSA-N -1 3 366.443 2.522 20 70 FFIDHM CC1(C)CCC[C@@H](CC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000160945695 509051809 /nfs/dbraw/zinc/05/18/09/509051809.db2.gz SHMNTMXNPLWSIZ-ZDUSSCGKSA-N -1 3 358.529 2.749 20 70 FFIDHM COc1cc(C(=O)Nc2ccnn2Cc2ccccc2)cc(OC)c1[O-] ZINC000161129935 509074696 /nfs/dbraw/zinc/07/46/96/509074696.db2.gz VVTVJAWOOVLONT-UHFFFAOYSA-N -1 3 353.378 2.907 20 70 FFIDHM CCCC[C@@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCC1 ZINC000159459426 508845560 /nfs/dbraw/zinc/84/55/60/508845560.db2.gz WNIYMBBQFXDCSP-OXQOHEQNSA-N -1 3 357.454 2.830 20 70 FFIDHM CC(C)CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000159596877 508863906 /nfs/dbraw/zinc/86/39/06/508863906.db2.gz MWHSCUQRZFURSP-UHFFFAOYSA-N -1 3 374.890 2.682 20 70 FFIDHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000159815654 508895224 /nfs/dbraw/zinc/89/52/24/508895224.db2.gz KPJGUHURFGZTOS-UHFFFAOYSA-N -1 3 362.788 2.783 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1nccs1 ZINC000159910995 508909812 /nfs/dbraw/zinc/90/98/12/508909812.db2.gz XNKLQAHBFNJJSV-SNVBAGLBSA-N -1 3 374.871 2.997 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1nccs1 ZINC000159976792 508919867 /nfs/dbraw/zinc/91/98/67/508919867.db2.gz NCSDHVWDMGCEJZ-GFCCVEGCSA-N -1 3 354.453 2.734 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)[n-]2)o1 ZINC000160236145 508958263 /nfs/dbraw/zinc/95/82/63/508958263.db2.gz AUCNHTMECDQLKE-UHFFFAOYSA-N -1 3 374.426 2.605 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3csc(NC(=O)C(C)C)n3)n2)o1 ZINC000160236145 508958268 /nfs/dbraw/zinc/95/82/68/508958268.db2.gz AUCNHTMECDQLKE-UHFFFAOYSA-N -1 3 374.426 2.605 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)n[n-]2)o1 ZINC000160236145 508958271 /nfs/dbraw/zinc/95/82/71/508958271.db2.gz AUCNHTMECDQLKE-UHFFFAOYSA-N -1 3 374.426 2.605 20 70 FFIDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000161066689 509066533 /nfs/dbraw/zinc/06/65/33/509066533.db2.gz MBQMVZOHHJUUTR-UHFFFAOYSA-N -1 3 350.827 2.735 20 70 FFIDHM COc1ccccc1N1CC[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159523545 508852647 /nfs/dbraw/zinc/85/26/47/508852647.db2.gz FJRVXMCBVBIZPT-CQSZACIVSA-N -1 3 360.841 2.992 20 70 FFIDHM CCC(=O)c1ccc(OCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160345777 508974492 /nfs/dbraw/zinc/97/44/92/508974492.db2.gz GOVYBYGSNZNREW-UHFFFAOYSA-N -1 3 354.366 2.983 20 70 FFIDHM CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160345777 508974493 /nfs/dbraw/zinc/97/44/93/508974493.db2.gz GOVYBYGSNZNREW-UHFFFAOYSA-N -1 3 354.366 2.983 20 70 FFIDHM CCC(=O)c1ccc(OCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160345777 508974496 /nfs/dbraw/zinc/97/44/96/508974496.db2.gz GOVYBYGSNZNREW-UHFFFAOYSA-N -1 3 354.366 2.983 20 70 FFIDHM CCCNC(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160421263 508984661 /nfs/dbraw/zinc/98/46/61/508984661.db2.gz SULJWXWKGFZDKS-UHFFFAOYSA-N -1 3 353.382 2.765 20 70 FFIDHM CCCNC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160421263 508984663 /nfs/dbraw/zinc/98/46/63/508984663.db2.gz SULJWXWKGFZDKS-UHFFFAOYSA-N -1 3 353.382 2.765 20 70 FFIDHM CCCNC(=O)c1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160421263 508984666 /nfs/dbraw/zinc/98/46/66/508984666.db2.gz SULJWXWKGFZDKS-UHFFFAOYSA-N -1 3 353.382 2.765 20 70 FFIDHM O=C(NCc1ccc([O-])c(Br)c1)c1ncn(-c2ccccc2)n1 ZINC000160588333 509006921 /nfs/dbraw/zinc/00/69/21/509006921.db2.gz RGIWXOFQKVRBCB-UHFFFAOYSA-N -1 3 373.210 2.665 20 70 FFIDHM CC(C)Cn1ncc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1C1CC1 ZINC000160899550 509045161 /nfs/dbraw/zinc/04/51/61/509045161.db2.gz ZAVXMRGWSWGJKO-UHFFFAOYSA-N -1 3 353.430 2.792 20 70 FFIDHM CC(C)Cn1ncc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1C1CC1 ZINC000160899550 509045164 /nfs/dbraw/zinc/04/51/64/509045164.db2.gz ZAVXMRGWSWGJKO-UHFFFAOYSA-N -1 3 353.430 2.792 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](C)[C@H](n4ccnc4)C3)c[n-]c12 ZINC000160963480 509053878 /nfs/dbraw/zinc/05/38/78/509053878.db2.gz QHLVWKWULFSSMG-SJKOYZFVSA-N -1 3 368.412 2.895 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000160986882 509057276 /nfs/dbraw/zinc/05/72/76/509057276.db2.gz GSWMJXMZCDGQHZ-UHFFFAOYSA-N -1 3 374.872 2.746 20 70 FFIDHM COc1cccc([C@H](CNC(=O)c2cc(OC)ccc2[O-])N2CCCC2)c1 ZINC000218525319 509278795 /nfs/dbraw/zinc/27/87/95/509278795.db2.gz PTQHIWCMHBDAIE-IBGZPJMESA-N -1 3 370.449 2.976 20 70 FFIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000160338738 508972423 /nfs/dbraw/zinc/97/24/23/508972423.db2.gz YHMBWLAQSVUPAP-NSHDSACASA-N -1 3 356.669 2.542 20 70 FFIDHM CCCC[C@@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C1CCC1 ZINC000159459707 508845522 /nfs/dbraw/zinc/84/55/22/508845522.db2.gz WNIYMBBQFXDCSP-UZLBHIALSA-N -1 3 357.454 2.830 20 70 FFIDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)cc1CC ZINC000160090916 508937447 /nfs/dbraw/zinc/93/74/47/508937447.db2.gz XBHJZRIJULYEEE-UHFFFAOYSA-N -1 3 361.467 2.781 20 70 FFIDHM CCc1ncc(C(=O)[N-]c2n[nH]c(-c3ccc(OC)cc3OC)n2)s1 ZINC000160126991 508942271 /nfs/dbraw/zinc/94/22/71/508942271.db2.gz MYBUQNRUSDSCCB-UHFFFAOYSA-N -1 3 359.411 2.760 20 70 FFIDHM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000160147304 508945240 /nfs/dbraw/zinc/94/52/40/508945240.db2.gz JWEDNSJSARFFLK-UHFFFAOYSA-N -1 3 360.273 2.926 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)[n-]2)o1 ZINC000160361887 508975770 /nfs/dbraw/zinc/97/57/70/508975770.db2.gz AAUOPMOFOQCSKI-UHFFFAOYSA-N -1 3 351.366 2.974 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(NC(=O)C4CC4)cc3)n2)o1 ZINC000160361887 508975774 /nfs/dbraw/zinc/97/57/74/508975774.db2.gz AAUOPMOFOQCSKI-UHFFFAOYSA-N -1 3 351.366 2.974 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)n[n-]2)o1 ZINC000160361887 508975778 /nfs/dbraw/zinc/97/57/78/508975778.db2.gz AAUOPMOFOQCSKI-UHFFFAOYSA-N -1 3 351.366 2.974 20 70 FFIDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2csc(-c3ccco3)n2)c1 ZINC000160524001 508998816 /nfs/dbraw/zinc/99/88/16/508998816.db2.gz UOWKNOBQQYXOTL-UHFFFAOYSA-N -1 3 357.391 2.997 20 70 FFIDHM Cc1ccc(C(C)(C)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000161017881 509060698 /nfs/dbraw/zinc/06/06/98/509060698.db2.gz RIASPKAZRCHSCK-UHFFFAOYSA-N -1 3 366.461 2.963 20 70 FFIDHM COc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc(OC)c1[O-] ZINC000161086214 509069842 /nfs/dbraw/zinc/06/98/42/509069842.db2.gz AISFEXAJPWKPMU-OAHLLOKOSA-N -1 3 362.401 2.581 20 70 FFIDHM COc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc(OC)c1[O-] ZINC000161170613 509080393 /nfs/dbraw/zinc/08/03/93/509080393.db2.gz KZZOTJSRBCFCRU-UHFFFAOYSA-N -1 3 356.422 2.680 20 70 FFIDHM COc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)cc(OC)c1[O-] ZINC000161228809 509089085 /nfs/dbraw/zinc/08/90/85/509089085.db2.gz RDOMTMFYBSSSME-UHFFFAOYSA-N -1 3 353.378 2.525 20 70 FFIDHM Cc1cccc(C(C)(C)NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000161273157 509094640 /nfs/dbraw/zinc/09/46/40/509094640.db2.gz IOKIRGKQWKTQTK-NRFANRHFSA-N -1 3 365.433 2.715 20 70 FFIDHM CC(C)(NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(F)c1 ZINC000161337276 509103825 /nfs/dbraw/zinc/10/38/25/509103825.db2.gz QAKUZGNEHOQLAF-HXUWFJFHSA-N -1 3 369.396 2.545 20 70 FFIDHM COc1ccc([C@H](CNC(=O)c2cc(OC)ccc2[O-])N2CCCC2)cc1 ZINC000218279706 509276867 /nfs/dbraw/zinc/27/68/67/509276867.db2.gz DCMXGMOQFAKGFA-IBGZPJMESA-N -1 3 370.449 2.976 20 70 FFIDHM O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1cccc(Cl)c1Cl ZINC000159867019 508903358 /nfs/dbraw/zinc/90/33/58/508903358.db2.gz AQRVPBRDWMEXLV-DOMZBBRYSA-N -1 3 358.246 2.930 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)OC)c1)c1nccs1 ZINC000159943607 508915069 /nfs/dbraw/zinc/91/50/69/508915069.db2.gz MHMAQMJWRITXFZ-ZDUSSCGKSA-N -1 3 354.453 2.500 20 70 FFIDHM COc1ccc2c(c1)C=C(C(=O)Nc1nnc(-c3ccc(C)o3)[n-]1)CO2 ZINC000160311113 508968491 /nfs/dbraw/zinc/96/84/91/508968491.db2.gz GMPOAEGLVIDNTM-UHFFFAOYSA-N -1 3 352.350 2.796 20 70 FFIDHM COc1ccc2c(c1)C=C(C(=O)Nc1nc(-c3ccc(C)o3)n[n-]1)CO2 ZINC000160311113 508968493 /nfs/dbraw/zinc/96/84/93/508968493.db2.gz GMPOAEGLVIDNTM-UHFFFAOYSA-N -1 3 352.350 2.796 20 70 FFIDHM COc1ccc2c(c1)C=C(C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)CO2 ZINC000160311113 508968498 /nfs/dbraw/zinc/96/84/98/508968498.db2.gz GMPOAEGLVIDNTM-UHFFFAOYSA-N -1 3 352.350 2.796 20 70 FFIDHM O=C(NC1CCC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1)C1CCCC1 ZINC000160858712 509040645 /nfs/dbraw/zinc/04/06/45/509040645.db2.gz YGCCRYMOCNQANR-UHFFFAOYSA-N -1 3 373.379 2.627 20 70 FFIDHM O=C(NC1CCC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1)C1CCCC1 ZINC000160858712 509040648 /nfs/dbraw/zinc/04/06/48/509040648.db2.gz YGCCRYMOCNQANR-UHFFFAOYSA-N -1 3 373.379 2.627 20 70 FFIDHM CCCS(=O)(=O)Nc1cccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000160965389 509054309 /nfs/dbraw/zinc/05/43/09/509054309.db2.gz DQCCBISKAICZQP-GFCCVEGCSA-N -1 3 366.443 2.574 20 70 FFIDHM COc1ccc(S(=O)(=O)[N-]C2(C)CCOCC2)c(Cl)c1Cl ZINC000160982982 509056722 /nfs/dbraw/zinc/05/67/22/509056722.db2.gz PWBGFCNVRAUQDJ-UHFFFAOYSA-N -1 3 354.255 2.849 20 70 FFIDHM CCCN(Cc1cc([O-])ccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000161107176 509071901 /nfs/dbraw/zinc/07/19/01/509071901.db2.gz ZAQJHTJUMPWHTE-LBPRGKRZSA-N -1 3 362.289 2.554 20 70 FFIDHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1c(F)cc(F)cc1F ZINC000161322961 509102381 /nfs/dbraw/zinc/10/23/81/509102381.db2.gz YHPYMLGSCQHMFW-UHFFFAOYSA-N -1 3 367.327 2.751 20 70 FFIDHM Cc1ccc(C(=O)NCCC(=O)NCCc2cc3ccccc3[nH]2)c([O-])c1 ZINC000159659555 508872871 /nfs/dbraw/zinc/87/28/71/508872871.db2.gz XUGMFEHHEFGJMD-UHFFFAOYSA-N -1 3 365.433 2.661 20 70 FFIDHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000159945469 508914876 /nfs/dbraw/zinc/91/48/76/508914876.db2.gz GBBNVJMTRZQAFH-LBPRGKRZSA-N -1 3 373.833 2.506 20 70 FFIDHM CC(=O)N1CCc2cc(C(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)ccc21 ZINC000160222740 508956711 /nfs/dbraw/zinc/95/67/11/508956711.db2.gz IYSCYISWNYZRPM-UHFFFAOYSA-N -1 3 351.366 2.534 20 70 FFIDHM CC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)ccc21 ZINC000160222740 508956715 /nfs/dbraw/zinc/95/67/15/508956715.db2.gz IYSCYISWNYZRPM-UHFFFAOYSA-N -1 3 351.366 2.534 20 70 FFIDHM CC(=O)N1CCc2cc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)ccc21 ZINC000160222740 508956716 /nfs/dbraw/zinc/95/67/16/508956716.db2.gz IYSCYISWNYZRPM-UHFFFAOYSA-N -1 3 351.366 2.534 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H](C)NC(=O)c3ccccc3)[n-]2)o1 ZINC000160396856 508981403 /nfs/dbraw/zinc/98/14/03/508981403.db2.gz DXJIEYHXDOMRKV-NSHDSACASA-N -1 3 353.382 2.520 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H](C)NC(=O)c3ccccc3)n2)o1 ZINC000160396856 508981404 /nfs/dbraw/zinc/98/14/04/508981404.db2.gz DXJIEYHXDOMRKV-NSHDSACASA-N -1 3 353.382 2.520 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)NC(=O)c3ccccc3)n[n-]2)o1 ZINC000160396856 508981409 /nfs/dbraw/zinc/98/14/09/508981409.db2.gz DXJIEYHXDOMRKV-NSHDSACASA-N -1 3 353.382 2.520 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cn(-c4ccccc4Cl)nn3)[n-]2)o1 ZINC000160427325 508985048 /nfs/dbraw/zinc/98/50/48/508985048.db2.gz ZXNRUOWGQGPZIJ-UHFFFAOYSA-N -1 3 369.772 2.860 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cn(-c4ccccc4Cl)nn3)n2)o1 ZINC000160427325 508985050 /nfs/dbraw/zinc/98/50/50/508985050.db2.gz ZXNRUOWGQGPZIJ-UHFFFAOYSA-N -1 3 369.772 2.860 20 70 FFIDHM CCc1cccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c1 ZINC000160854995 509040749 /nfs/dbraw/zinc/04/07/49/509040749.db2.gz AKIZCAUPLUIEQM-UHFFFAOYSA-N -1 3 363.830 2.679 20 70 FFIDHM CC(C)C[C@H]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000160926832 509049126 /nfs/dbraw/zinc/04/91/26/509049126.db2.gz ORDLYAVAEYMFHN-VLIAUNLRSA-N -1 3 357.454 2.640 20 70 FFIDHM CC(=O)c1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)n(C)c1 ZINC000161184013 509082134 /nfs/dbraw/zinc/08/21/34/509082134.db2.gz BKVSNWPAQDBCMB-UHFFFAOYSA-N -1 3 350.378 2.539 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CSCCS3)cc2)n1 ZINC000161251412 509092427 /nfs/dbraw/zinc/09/24/27/509092427.db2.gz PDVXYZGHTGBOSJ-CQSZACIVSA-N -1 3 361.492 2.923 20 70 FFIDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)sc1Br ZINC000161347320 509105496 /nfs/dbraw/zinc/10/54/96/509105496.db2.gz HBELMJGRLUJTHX-MGCOHNPYSA-N -1 3 368.318 2.648 20 70 FFIDHM COc1ccc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000216739990 509264801 /nfs/dbraw/zinc/26/48/01/509264801.db2.gz JWRXYFLXNOOFMX-UHFFFAOYSA-N -1 3 372.387 2.545 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccs1 ZINC000159740960 508883387 /nfs/dbraw/zinc/88/33/87/508883387.db2.gz FMEFXNABJUPRHD-UHFFFAOYSA-N -1 3 358.463 2.716 20 70 FFIDHM C[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000159811454 508894622 /nfs/dbraw/zinc/89/46/22/508894622.db2.gz IVMXPMWZUCNIIM-ZBEGNZNMSA-N -1 3 366.845 2.790 20 70 FFIDHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000159943676 508915137 /nfs/dbraw/zinc/91/51/37/508915137.db2.gz LBJRRWGWBYJFFL-CYBMUJFWSA-N -1 3 373.833 2.506 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1F ZINC000160134360 508943570 /nfs/dbraw/zinc/94/35/70/508943570.db2.gz IPLQIJGNCQSEIG-UHFFFAOYSA-N -1 3 370.424 2.794 20 70 FFIDHM Cc1ccc(C(=O)CCN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000160346635 508974393 /nfs/dbraw/zinc/97/43/93/508974393.db2.gz PBYZREPUUTZUBN-UHFFFAOYSA-N -1 3 352.434 2.731 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)[n-]2)o1 ZINC000160401525 508982098 /nfs/dbraw/zinc/98/20/98/508982098.db2.gz AKCMWYAAKKSHGJ-UHFFFAOYSA-N -1 3 361.402 2.569 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)n2)o1 ZINC000160401525 508982102 /nfs/dbraw/zinc/98/21/02/508982102.db2.gz AKCMWYAAKKSHGJ-UHFFFAOYSA-N -1 3 361.402 2.569 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)n[n-]2)o1 ZINC000160401525 508982103 /nfs/dbraw/zinc/98/21/03/508982103.db2.gz AKCMWYAAKKSHGJ-UHFFFAOYSA-N -1 3 361.402 2.569 20 70 FFIDHM COc1cccc(CO[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160429197 508986237 /nfs/dbraw/zinc/98/62/37/508986237.db2.gz UPMNXFDJKLUSJN-LBPRGKRZSA-N -1 3 356.382 2.926 20 70 FFIDHM COc1cccc(CO[C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160429197 508986239 /nfs/dbraw/zinc/98/62/39/508986239.db2.gz UPMNXFDJKLUSJN-LBPRGKRZSA-N -1 3 356.382 2.926 20 70 FFIDHM COc1cccc(CO[C@@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160429197 508986242 /nfs/dbraw/zinc/98/62/42/508986242.db2.gz UPMNXFDJKLUSJN-LBPRGKRZSA-N -1 3 356.382 2.926 20 70 FFIDHM O=C(Cc1ccc(Br)c(F)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000160501037 508995930 /nfs/dbraw/zinc/99/59/30/508995930.db2.gz YGAPTYNEWPNRDQ-UHFFFAOYSA-N -1 3 367.100 2.906 20 70 FFIDHM O=C(Cc1ccc(Br)c(F)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000160501037 508995932 /nfs/dbraw/zinc/99/59/32/508995932.db2.gz YGAPTYNEWPNRDQ-UHFFFAOYSA-N -1 3 367.100 2.906 20 70 FFIDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000161078979 509067946 /nfs/dbraw/zinc/06/79/46/509067946.db2.gz GIBZDRJCVOGOEB-UHFFFAOYSA-N -1 3 359.856 2.853 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3c4ccccc4NC3=O)cc2)n1 ZINC000161137375 509076390 /nfs/dbraw/zinc/07/63/90/509076390.db2.gz LKNMLBKMUQIEID-MRXNPFEDSA-N -1 3 374.400 2.810 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)n1 ZINC000161193176 509083588 /nfs/dbraw/zinc/08/35/88/509083588.db2.gz QPKXSXHOTDJGEQ-UHFFFAOYSA-N -1 3 374.400 2.882 20 70 FFIDHM O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc2n[n-]nc2c1 ZINC000161336539 509103677 /nfs/dbraw/zinc/10/36/77/509103677.db2.gz YTHWWCGVXIKMRK-UHFFFAOYSA-N -1 3 366.421 2.584 20 70 FFIDHM CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000161464181 509118634 /nfs/dbraw/zinc/11/86/34/509118634.db2.gz XNSGVHPHDYRREQ-UHFFFAOYSA-N -1 3 369.347 2.738 20 70 FFIDHM CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000161464181 509118636 /nfs/dbraw/zinc/11/86/36/509118636.db2.gz XNSGVHPHDYRREQ-UHFFFAOYSA-N -1 3 369.347 2.738 20 70 FFIDHM CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000161465066 509119146 /nfs/dbraw/zinc/11/91/46/509119146.db2.gz GHULPZGHIBIKNN-UHFFFAOYSA-N -1 3 369.347 2.690 20 70 FFIDHM CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000161465066 509119148 /nfs/dbraw/zinc/11/91/48/509119148.db2.gz GHULPZGHIBIKNN-UHFFFAOYSA-N -1 3 369.347 2.690 20 70 FFIDHM COc1cc(C(=O)NCc2ccc(F)c(CN(C)C)c2)cc(OC)c1[O-] ZINC000159629535 508868657 /nfs/dbraw/zinc/86/86/57/508868657.db2.gz BWOQMBCMPINZBM-UHFFFAOYSA-N -1 3 362.401 2.540 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1nccs1 ZINC000159988140 508920572 /nfs/dbraw/zinc/92/05/72/508920572.db2.gz AAHAZTPMGSOHKX-HNNXBMFYSA-N -1 3 362.480 2.818 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)nc4c3c(C)nn4C)[n-]2)o1 ZINC000160305329 508967118 /nfs/dbraw/zinc/96/71/18/508967118.db2.gz NZXDWQTXZGKVMT-UHFFFAOYSA-N -1 3 351.370 2.524 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)nc4c3c(C)nn4C)n2)o1 ZINC000160305329 508967119 /nfs/dbraw/zinc/96/71/19/508967119.db2.gz NZXDWQTXZGKVMT-UHFFFAOYSA-N -1 3 351.370 2.524 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)nc4c3c(C)nn4C)n[n-]2)o1 ZINC000160305329 508967120 /nfs/dbraw/zinc/96/71/20/508967120.db2.gz NZXDWQTXZGKVMT-UHFFFAOYSA-N -1 3 351.370 2.524 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(N4CCCC4=O)cc3)[n-]2)o1 ZINC000160432186 508986051 /nfs/dbraw/zinc/98/60/51/508986051.db2.gz XVZOFSBJYVORDV-UHFFFAOYSA-N -1 3 351.366 2.752 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(N4CCCC4=O)cc3)n2)o1 ZINC000160432186 508986055 /nfs/dbraw/zinc/98/60/55/508986055.db2.gz XVZOFSBJYVORDV-UHFFFAOYSA-N -1 3 351.366 2.752 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(N4CCCC4=O)cc3)n[n-]2)o1 ZINC000160432186 508986058 /nfs/dbraw/zinc/98/60/58/508986058.db2.gz XVZOFSBJYVORDV-UHFFFAOYSA-N -1 3 351.366 2.752 20 70 FFIDHM O=C(C[N-]S(=O)(=O)c1cccs1)N(Cc1ccco1)C1CCCC1 ZINC000160888193 509044598 /nfs/dbraw/zinc/04/45/98/509044598.db2.gz QFMNENSJSDYHHZ-UHFFFAOYSA-N -1 3 368.480 2.591 20 70 FFIDHM Cc1ccc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1Cl ZINC000161143945 509076973 /nfs/dbraw/zinc/07/69/73/509076973.db2.gz HEYOWLIOSQWLAM-GOSISDBHSA-N -1 3 357.797 2.955 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3[nH]nc4ccccc43)cc2)n1 ZINC000161150215 509077619 /nfs/dbraw/zinc/07/76/19/509077619.db2.gz YHFJUDKMFCFLPS-UHFFFAOYSA-N -1 3 359.389 2.803 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3n[nH]c4ccccc34)cc2)n1 ZINC000161150215 509077623 /nfs/dbraw/zinc/07/76/23/509077623.db2.gz YHFJUDKMFCFLPS-UHFFFAOYSA-N -1 3 359.389 2.803 20 70 FFIDHM C[C@]1(c2cccc(C(=O)N3CCC[C@H]3c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000161452894 509116897 /nfs/dbraw/zinc/11/68/97/509116897.db2.gz YZUARALVHUVHPZ-LAUBAEHRSA-N -1 3 363.417 2.719 20 70 FFIDHM COc1cc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)cc(OC)c1[O-] ZINC000159601532 508863835 /nfs/dbraw/zinc/86/38/35/508863835.db2.gz KVEREDBPBRSXLE-OAHLLOKOSA-N -1 3 356.422 2.808 20 70 FFIDHM COCc1nc(C)c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000160095369 508938323 /nfs/dbraw/zinc/93/83/23/508938323.db2.gz POIKSICRXRARPE-UHFFFAOYSA-N -1 3 370.434 2.909 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccn(-c4ccccc4F)n3)[n-]2)o1 ZINC000160182258 508950809 /nfs/dbraw/zinc/95/08/09/508950809.db2.gz NBIUAHMNPIBCSJ-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccn(-c4ccccc4F)n3)n2)o1 ZINC000160182258 508950812 /nfs/dbraw/zinc/95/08/12/508950812.db2.gz NBIUAHMNPIBCSJ-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccn(-c4ccccc4F)n3)n[n-]2)o1 ZINC000160182258 508950815 /nfs/dbraw/zinc/95/08/15/508950815.db2.gz NBIUAHMNPIBCSJ-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM CC(=O)N[C@H](CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccc(C)cc1 ZINC000160396442 508980973 /nfs/dbraw/zinc/98/09/73/508980973.db2.gz JAANWJNAORMUAF-OAHLLOKOSA-N -1 3 367.409 2.888 20 70 FFIDHM CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccc(C)cc1 ZINC000160396442 508980978 /nfs/dbraw/zinc/98/09/78/508980978.db2.gz JAANWJNAORMUAF-OAHLLOKOSA-N -1 3 367.409 2.888 20 70 FFIDHM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccc(C)cc1 ZINC000160396442 508980983 /nfs/dbraw/zinc/98/09/83/508980983.db2.gz JAANWJNAORMUAF-OAHLLOKOSA-N -1 3 367.409 2.888 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000160635851 509013022 /nfs/dbraw/zinc/01/30/22/509013022.db2.gz XNCLJPHDJIWGNB-UHFFFAOYSA-N -1 3 355.438 2.848 20 70 FFIDHM Cc1ccnc2nc(C(=O)[N-]c3cc(F)c(Br)cc3F)nn21 ZINC000160869098 509041556 /nfs/dbraw/zinc/04/15/56/509041556.db2.gz MSTRLFDCZXUHAR-UHFFFAOYSA-N -1 3 368.141 2.726 20 70 FFIDHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(-c2ccsc2)n1 ZINC000160920542 509048121 /nfs/dbraw/zinc/04/81/21/509048121.db2.gz RELLVWHSQSYTDD-UHFFFAOYSA-N -1 3 370.481 2.553 20 70 FFIDHM C[C@@]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)(C(N)=O)c1ccccc1 ZINC000161226787 509089117 /nfs/dbraw/zinc/08/91/17/509089117.db2.gz ZMEDQZLMGMFIAK-HNNXBMFYSA-N -1 3 373.261 2.672 20 70 FFIDHM COc1ncccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000159562354 508859272 /nfs/dbraw/zinc/85/92/72/508859272.db2.gz TUWKGFHLIUZGOW-UHFFFAOYSA-N -1 3 366.215 2.558 20 70 FFIDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000159609718 508865134 /nfs/dbraw/zinc/86/51/34/508865134.db2.gz BLSAVIADACZUQS-ZDUSSCGKSA-N -1 3 373.544 2.705 20 70 FFIDHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1ccc(F)cc1F ZINC000159774215 508888731 /nfs/dbraw/zinc/88/87/31/508888731.db2.gz MHBOMALEJPINMK-UHFFFAOYSA-N -1 3 354.378 2.627 20 70 FFIDHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCCc2sccc21 ZINC000159991088 508921292 /nfs/dbraw/zinc/92/12/92/508921292.db2.gz JGYXQRHPDSIELX-GFCCVEGCSA-N -1 3 370.521 2.672 20 70 FFIDHM COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc(OC)c1[O-] ZINC000160390705 508980038 /nfs/dbraw/zinc/98/00/38/508980038.db2.gz VJEJARVQCSZQSV-AWEZNQCLSA-N -1 3 360.410 2.569 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccs1 ZINC000160565160 509003569 /nfs/dbraw/zinc/00/35/69/509003569.db2.gz JKKQPKKZUJQDNJ-UHFFFAOYSA-N -1 3 358.463 2.716 20 70 FFIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)s1 ZINC000161229392 509088759 /nfs/dbraw/zinc/08/87/59/509088759.db2.gz ONPCULFBRCCDOF-NSHDSACASA-N -1 3 370.883 2.765 20 70 FFIDHM COc1cc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)cc(OC)c1[O-] ZINC000159601685 508864451 /nfs/dbraw/zinc/86/44/51/508864451.db2.gz KVEREDBPBRSXLE-HNNXBMFYSA-N -1 3 356.422 2.808 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccc(F)cc1 ZINC000159677395 508875257 /nfs/dbraw/zinc/87/52/57/508875257.db2.gz HDKHJESECASBKC-UHFFFAOYSA-N -1 3 370.424 2.794 20 70 FFIDHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1cc(F)c(F)cc1F ZINC000159744567 508884027 /nfs/dbraw/zinc/88/40/27/508884027.db2.gz DMVZAXWDULROCC-UHFFFAOYSA-N -1 3 367.327 2.751 20 70 FFIDHM Cc1noc(C)c1CCS(=O)(=O)c1nc(C)c(Cc2ccccc2)[n-]1 ZINC000160011301 508925122 /nfs/dbraw/zinc/92/51/22/508925122.db2.gz XXJDTQFCGWIZRZ-UHFFFAOYSA-N -1 3 359.451 2.930 20 70 FFIDHM Cc1noc(C)c1CCS(=O)(=O)c1nc(Cc2ccccc2)c(C)[n-]1 ZINC000160011301 508925125 /nfs/dbraw/zinc/92/51/25/508925125.db2.gz XXJDTQFCGWIZRZ-UHFFFAOYSA-N -1 3 359.451 2.930 20 70 FFIDHM Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CO2 ZINC000160133460 508943697 /nfs/dbraw/zinc/94/36/97/508943697.db2.gz QDWXNBSAMAJYCG-DLBZAZTESA-N -1 3 366.417 2.555 20 70 FFIDHM CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)cs1 ZINC000160675801 509018424 /nfs/dbraw/zinc/01/84/24/509018424.db2.gz GXHKXESKUWFFCB-UHFFFAOYSA-N -1 3 371.490 2.984 20 70 FFIDHM CC(C)(C)SCCCC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000160726044 509025323 /nfs/dbraw/zinc/02/53/23/509025323.db2.gz WQLDGDYNIPTTIX-UHFFFAOYSA-N -1 3 352.500 2.940 20 70 FFIDHM COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc(OC)c1[O-] ZINC000160969054 509055119 /nfs/dbraw/zinc/05/51/19/509055119.db2.gz KGKDKCVTQVDBFC-OAHLLOKOSA-N -1 3 374.437 2.959 20 70 FFIDHM CC(C)(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161097385 509071187 /nfs/dbraw/zinc/07/11/87/509071187.db2.gz YSUHTYLVHYNHRD-UHFFFAOYSA-N -1 3 366.461 2.946 20 70 FFIDHM CC[C@H](OC1CCCCC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161104648 509071918 /nfs/dbraw/zinc/07/19/18/509071918.db2.gz XFTDIEPDMLQJFJ-IBGZPJMESA-N -1 3 374.481 2.805 20 70 FFIDHM CCOc1ccc(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000216733086 509264843 /nfs/dbraw/zinc/26/48/43/509264843.db2.gz UFJSOQDZBFGWBS-UHFFFAOYSA-N -1 3 372.387 2.545 20 70 FFIDHM CCCC[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)C1CCC1 ZINC000159459563 508845533 /nfs/dbraw/zinc/84/55/33/508845533.db2.gz WNIYMBBQFXDCSP-JXFKEZNVSA-N -1 3 357.454 2.830 20 70 FFIDHM COc1ccccc1N1CC[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C1=O ZINC000159530235 508853959 /nfs/dbraw/zinc/85/39/59/508853959.db2.gz YUSDZUGSBDZDIS-OAHLLOKOSA-N -1 3 374.824 2.518 20 70 FFIDHM COc1ccccc1-c1nc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)n[n-]1 ZINC000159979587 508920151 /nfs/dbraw/zinc/92/01/51/508920151.db2.gz KXJSKQAMDCJKJI-JTQLQIEISA-N -1 3 354.414 2.953 20 70 FFIDHM CC(C)OCc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000160210024 508954123 /nfs/dbraw/zinc/95/41/23/508954123.db2.gz GYDBWKJJBCGUQR-HNNXBMFYSA-N -1 3 356.488 2.514 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)NC(=O)CS4)[n-]2)o1 ZINC000160385301 508979747 /nfs/dbraw/zinc/97/97/47/508979747.db2.gz HIIQPPKIXAKSSY-UHFFFAOYSA-N -1 3 355.379 2.670 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc4c(c3)NC(=O)CS4)n2)o1 ZINC000160385301 508979748 /nfs/dbraw/zinc/97/97/48/508979748.db2.gz HIIQPPKIXAKSSY-UHFFFAOYSA-N -1 3 355.379 2.670 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)NC(=O)CS4)n[n-]2)o1 ZINC000160385301 508979749 /nfs/dbraw/zinc/97/97/49/508979749.db2.gz HIIQPPKIXAKSSY-UHFFFAOYSA-N -1 3 355.379 2.670 20 70 FFIDHM CCN(C)C(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160407910 508982707 /nfs/dbraw/zinc/98/27/07/508982707.db2.gz QDLKBUMFZOUOGA-UHFFFAOYSA-N -1 3 353.382 2.717 20 70 FFIDHM CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160407910 508982711 /nfs/dbraw/zinc/98/27/11/508982711.db2.gz QDLKBUMFZOUOGA-UHFFFAOYSA-N -1 3 353.382 2.717 20 70 FFIDHM CCN(C)C(=O)c1cccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160407910 508982714 /nfs/dbraw/zinc/98/27/14/508982714.db2.gz QDLKBUMFZOUOGA-UHFFFAOYSA-N -1 3 353.382 2.717 20 70 FFIDHM CC(C)C[C@@H]1CCCCN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000160410636 508982842 /nfs/dbraw/zinc/98/28/42/508982842.db2.gz FKWQVIWAXSMZQE-JXFKEZNVSA-N -1 3 357.454 2.782 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1cccc(F)c1 ZINC000160536257 509000598 /nfs/dbraw/zinc/00/05/98/509000598.db2.gz DAKBGGSZNZALOM-UHFFFAOYSA-N -1 3 370.424 2.794 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](C)[C@@H](n4ccnc4)C3)c[n-]c12 ZINC000160963574 509054184 /nfs/dbraw/zinc/05/41/84/509054184.db2.gz QHLVWKWULFSSMG-SJCJKPOMSA-N -1 3 368.412 2.895 20 70 FFIDHM CCCc1ccc([C@H](C)N(CC(N)=O)Cc2nc(CC)cc(=O)[n-]2)cc1 ZINC000160983987 509056556 /nfs/dbraw/zinc/05/65/56/509056556.db2.gz VDPXQLKAKHJYKN-AWEZNQCLSA-N -1 3 356.470 2.746 20 70 FFIDHM COc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc(OC)c1[O-] ZINC000161230785 509090028 /nfs/dbraw/zinc/09/00/28/509090028.db2.gz YRIKJEDZYKZNGG-UHFFFAOYSA-N -1 3 367.405 2.568 20 70 FFIDHM CN(CCCNC(=O)c1nn(-c2ccccc2)cc1[O-])Cc1ccccc1 ZINC000217030618 509266108 /nfs/dbraw/zinc/26/61/08/509266108.db2.gz VRALVSXYVMJPMF-UHFFFAOYSA-N -1 3 364.449 2.830 20 70 FFIDHM COc1ccc([O-])c(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000218527693 509278166 /nfs/dbraw/zinc/27/81/66/509278166.db2.gz JUKURXTWALSMTQ-GOSISDBHSA-N -1 3 370.449 2.976 20 70 FFIDHM C[C@@H](O)C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000159452856 508843521 /nfs/dbraw/zinc/84/35/21/508843521.db2.gz CBECUIJMTAEERD-ZBFHGGJFSA-N -1 3 350.418 2.813 20 70 FFIDHM COc1ccc(-c2cncc(C(=O)[N-]n3cnc4ccccc4c3=O)c2)cc1 ZINC000159736557 508882310 /nfs/dbraw/zinc/88/23/10/508882310.db2.gz GSQRRAPLAQNOLC-UHFFFAOYSA-N -1 3 372.384 2.851 20 70 FFIDHM O=C(c1ccccc1)N1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000160510662 508997181 /nfs/dbraw/zinc/99/71/81/508997181.db2.gz ZXVRPAQDGNMHIE-UHFFFAOYSA-N -1 3 364.492 2.579 20 70 FFIDHM C[C@@]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)(C(N)=O)c1ccccc1 ZINC000161228337 509088696 /nfs/dbraw/zinc/08/86/96/509088696.db2.gz OMGWMLADSCXEMU-HNNXBMFYSA-N -1 3 373.261 2.672 20 70 FFIDHM C[C@@]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)(C(N)=O)c1ccccc1 ZINC000161228574 509089159 /nfs/dbraw/zinc/08/91/59/509089159.db2.gz RLOICYXNVVSVDH-HNNXBMFYSA-N -1 3 373.261 2.672 20 70 FFIDHM COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1[O-] ZINC000161333329 509103360 /nfs/dbraw/zinc/10/33/60/509103360.db2.gz LJNJOQZZHZZVIL-UHFFFAOYSA-N -1 3 370.449 2.989 20 70 FFIDHM CNC(=O)c1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000161421017 509114088 /nfs/dbraw/zinc/11/40/88/509114088.db2.gz OOQFYBZJLNTIPQ-UHFFFAOYSA-N -1 3 353.353 2.588 20 70 FFIDHM CC[C@@H](C(=O)Nc1ncccc1[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000218396928 509277184 /nfs/dbraw/zinc/27/71/84/509277184.db2.gz DZTRFROJXPHLEQ-LBPRGKRZSA-N -1 3 358.789 2.684 20 70 FFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000159848184 508900294 /nfs/dbraw/zinc/90/02/94/508900294.db2.gz XQRMTDUXOPANSD-SSDOTTSWSA-N -1 3 364.254 2.903 20 70 FFIDHM CC(C)[C@H](O)C(C)(C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000160038164 508929062 /nfs/dbraw/zinc/92/90/62/508929062.db2.gz DNTXKRZERPXNHW-AWEZNQCLSA-N -1 3 373.291 2.997 20 70 FFIDHM CC1(C)Cc2ccc(C(=O)N3CCC(N4CCCCC4=O)CC3)c([O-])c2O1 ZINC000160499564 508995698 /nfs/dbraw/zinc/99/56/98/508995698.db2.gz RUQRJCAABRTDQK-UHFFFAOYSA-N -1 3 372.465 2.723 20 70 FFIDHM COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cc(OC)c1[O-] ZINC000160728619 509025415 /nfs/dbraw/zinc/02/54/15/509025415.db2.gz YIBBSWQZKPVKIC-UHFFFAOYSA-N -1 3 360.385 2.511 20 70 FFIDHM CC1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCOCC1 ZINC000161009996 509059400 /nfs/dbraw/zinc/05/94/00/509059400.db2.gz ARRIMGGWUNRVGO-UHFFFAOYSA-N -1 3 368.680 2.950 20 70 FFIDHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)c(Cl)cc1F ZINC000161034938 509062305 /nfs/dbraw/zinc/06/23/05/509062305.db2.gz IVNCTWRFPVTTHA-CYBMUJFWSA-N -1 3 357.834 2.669 20 70 FFIDHM COCCCOc1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000161142091 509077027 /nfs/dbraw/zinc/07/70/27/509077027.db2.gz KUFFYQNFJYJSRD-UHFFFAOYSA-N -1 3 362.401 2.946 20 70 FFIDHM CCC(CC)(CC)CNC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000159437910 508842378 /nfs/dbraw/zinc/84/23/78/508842378.db2.gz CYNUVQMUOQGFIB-UHFFFAOYSA-N -1 3 361.533 2.672 20 70 FFIDHM O=S(=O)([N-]Cc1ccncc1)c1cc(Br)ccc1Cl ZINC000159531834 508853529 /nfs/dbraw/zinc/85/35/29/508853529.db2.gz GGOJVBBZXIAKLE-UHFFFAOYSA-N -1 3 361.648 2.976 20 70 FFIDHM CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1cccc(OC)c1 ZINC000160468373 508991483 /nfs/dbraw/zinc/99/14/83/508991483.db2.gz OTVLRXVOZRPONM-LBPRGKRZSA-N -1 3 352.390 2.802 20 70 FFIDHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000160920103 509048191 /nfs/dbraw/zinc/04/81/91/509048191.db2.gz GAYXVJVIRPOSNQ-UHFFFAOYSA-N -1 3 350.216 2.858 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCC(NC(=O)Nc3ccccc3)CC2)n1 ZINC000160983478 509056437 /nfs/dbraw/zinc/05/64/37/509056437.db2.gz CDHGNUXOYHRZQN-UHFFFAOYSA-N -1 3 355.442 2.531 20 70 FFIDHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161196793 509084014 /nfs/dbraw/zinc/08/40/14/509084014.db2.gz KRIOGJMNRNIVFS-UHFFFAOYSA-N -1 3 350.422 2.905 20 70 FFIDHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)cc1Cl ZINC000161367348 509107808 /nfs/dbraw/zinc/10/78/08/509107808.db2.gz PHZNOROHFBQUNB-MGCOHNPYSA-N -1 3 368.282 2.831 20 70 FFIDHM COCc1cc(NCCCNC(=O)c2cccc([O-])c2)nc(C(C)(C)C)n1 ZINC000159736863 508882420 /nfs/dbraw/zinc/88/24/20/508882420.db2.gz DRRKOECUZFWAFA-UHFFFAOYSA-N -1 3 372.469 2.858 20 70 FFIDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCc2ccco2)c1 ZINC000159898377 508908265 /nfs/dbraw/zinc/90/82/65/508908265.db2.gz IZKWKLLJVHNQSD-UHFFFAOYSA-N -1 3 355.350 2.506 20 70 FFIDHM CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000160138970 508944303 /nfs/dbraw/zinc/94/43/03/508944303.db2.gz GRAUYCBHNPJBQM-UHFFFAOYSA-N -1 3 374.212 2.545 20 70 FFIDHM O=C(C/C=C/c1ccc(F)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160164428 508948348 /nfs/dbraw/zinc/94/83/48/508948348.db2.gz RRRZXBMUBLDLFW-OWOJBTEDSA-N -1 3 368.408 2.919 20 70 FFIDHM O=C([N-]OCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000160784084 509032648 /nfs/dbraw/zinc/03/26/48/509032648.db2.gz QJLPDIFNTFJSFQ-MRXNPFEDSA-N -1 3 373.840 2.835 20 70 FFIDHM CCc1cc(=O)[n-]c(CN(Cc2cccc(OC)c2)C[C@H]2CCCO2)n1 ZINC000161013399 509059948 /nfs/dbraw/zinc/05/99/48/509059948.db2.gz KOCRJMCTLOGIOU-GOSISDBHSA-N -1 3 357.454 2.934 20 70 FFIDHM COc1cc(C(=O)NCc2ccccc2Cn2cccn2)cc(OC)c1[O-] ZINC000161194251 509084338 /nfs/dbraw/zinc/08/43/38/509084338.db2.gz MOJYLCMYVJVTMX-UHFFFAOYSA-N -1 3 367.405 2.584 20 70 FFIDHM O=C(NCCc1cccnc1)NCc1ccc([O-])c(Br)c1 ZINC000159478182 508847575 /nfs/dbraw/zinc/84/75/75/508847575.db2.gz DCYMYFDAGNWXSA-UHFFFAOYSA-N -1 3 350.216 2.592 20 70 FFIDHM Cc1c(I)cccc1C(=O)Nc1ncccc1[O-] ZINC000159725397 508880492 /nfs/dbraw/zinc/88/04/92/508880492.db2.gz QEOZUVMRQKLYCF-UHFFFAOYSA-N -1 3 354.147 2.953 20 70 FFIDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2c(C)noc2C)c1 ZINC000159847891 508900061 /nfs/dbraw/zinc/90/00/61/508900061.db2.gz KOKIYRWGYULGAK-SECBINFHSA-N -1 3 358.847 2.863 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)[n-]2)o1 ZINC000160304599 508967441 /nfs/dbraw/zinc/96/74/41/508967441.db2.gz GPQFBQLAJVWSTD-CYBMUJFWSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n2)o1 ZINC000160304599 508967445 /nfs/dbraw/zinc/96/74/45/508967445.db2.gz GPQFBQLAJVWSTD-CYBMUJFWSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n[n-]2)o1 ZINC000160304599 508967449 /nfs/dbraw/zinc/96/74/49/508967449.db2.gz GPQFBQLAJVWSTD-CYBMUJFWSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3nnn(-c4ccc(C)cc4)c3C)[n-]2)o1 ZINC000160373419 508977467 /nfs/dbraw/zinc/97/74/67/508977467.db2.gz VQHMFKFUQBOFKN-UHFFFAOYSA-N -1 3 363.381 2.823 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3nnn(-c4ccc(C)cc4)c3C)n2)o1 ZINC000160373419 508977469 /nfs/dbraw/zinc/97/74/69/508977469.db2.gz VQHMFKFUQBOFKN-UHFFFAOYSA-N -1 3 363.381 2.823 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3nnn(-c4ccc(C)cc4)c3C)n[n-]2)o1 ZINC000160373419 508977472 /nfs/dbraw/zinc/97/74/72/508977472.db2.gz VQHMFKFUQBOFKN-UHFFFAOYSA-N -1 3 363.381 2.823 20 70 FFIDHM CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccc(C)cc1 ZINC000160396588 508981419 /nfs/dbraw/zinc/98/14/19/508981419.db2.gz JAANWJNAORMUAF-HNNXBMFYSA-N -1 3 367.409 2.888 20 70 FFIDHM CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccc(C)cc1 ZINC000160396588 508981422 /nfs/dbraw/zinc/98/14/22/508981422.db2.gz JAANWJNAORMUAF-HNNXBMFYSA-N -1 3 367.409 2.888 20 70 FFIDHM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccc(C)cc1 ZINC000160396588 508981426 /nfs/dbraw/zinc/98/14/26/508981426.db2.gz JAANWJNAORMUAF-HNNXBMFYSA-N -1 3 367.409 2.888 20 70 FFIDHM CCCNC(=O)Nc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000160858300 509040826 /nfs/dbraw/zinc/04/08/26/509040826.db2.gz SCDNGNMUEPKTIU-UHFFFAOYSA-N -1 3 370.335 2.536 20 70 FFIDHM CCCNC(=O)Nc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000160858300 509040829 /nfs/dbraw/zinc/04/08/29/509040829.db2.gz SCDNGNMUEPKTIU-UHFFFAOYSA-N -1 3 370.335 2.536 20 70 FFIDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)oc1C ZINC000160995511 509057986 /nfs/dbraw/zinc/05/79/86/509057986.db2.gz WINODHKXLVOKDZ-UHFFFAOYSA-N -1 3 367.276 2.732 20 70 FFIDHM COCc1nc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cs1 ZINC000161143605 509076731 /nfs/dbraw/zinc/07/67/31/509076731.db2.gz RNBUQHNXDWNWAM-UHFFFAOYSA-N -1 3 356.407 2.601 20 70 FFIDHM CCOC(=O)C1CCN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CC1 ZINC000161218317 509087382 /nfs/dbraw/zinc/08/73/82/509087382.db2.gz VPTVKQYALUTEBR-UHFFFAOYSA-N -1 3 356.422 2.973 20 70 FFIDHM Cc1cc(NC(=O)CN(C)C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)no1 ZINC000161428076 509114983 /nfs/dbraw/zinc/11/49/83/509114983.db2.gz CREODMGWCDOKSY-UHFFFAOYSA-N -1 3 368.393 2.564 20 70 FFIDHM Cc1cc([N-]C(=O)[C@H](C)N2CCN([C@@H](C)c3cccc(F)c3)CC2)on1 ZINC000159479936 508847845 /nfs/dbraw/zinc/84/78/45/508847845.db2.gz VDJZNCBZXUTCSW-GJZGRUSLSA-N -1 3 360.433 2.828 20 70 FFIDHM O=S(=O)([N-]CC1(O)CCCCC1)c1cc(Br)ccc1F ZINC000159810239 508894658 /nfs/dbraw/zinc/89/46/58/508894658.db2.gz FCBNGWUDYILEMN-UHFFFAOYSA-N -1 3 366.252 2.562 20 70 FFIDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159865387 508902417 /nfs/dbraw/zinc/90/24/17/508902417.db2.gz AOBJQEIZCXEYTO-ZBFHGGJFSA-N -1 3 350.440 2.738 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)[n-]2)o1 ZINC000160236721 508958585 /nfs/dbraw/zinc/95/85/85/508958585.db2.gz OUBFVPCPAZJBEJ-UHFFFAOYSA-N -1 3 374.784 2.979 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)n2)o1 ZINC000160236721 508958587 /nfs/dbraw/zinc/95/85/87/508958587.db2.gz OUBFVPCPAZJBEJ-UHFFFAOYSA-N -1 3 374.784 2.979 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)n[n-]2)o1 ZINC000160236721 508958590 /nfs/dbraw/zinc/95/85/90/508958590.db2.gz OUBFVPCPAZJBEJ-UHFFFAOYSA-N -1 3 374.784 2.979 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([S@@](C)=O)cc3)cc2)n1 ZINC000161189903 509083370 /nfs/dbraw/zinc/08/33/70/509083370.db2.gz ZSEABRWVKNNLMY-SANMLTNESA-N -1 3 367.430 2.735 20 70 FFIDHM CC(C)(C)c1ncc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cn1 ZINC000161220519 509088097 /nfs/dbraw/zinc/08/80/97/509088097.db2.gz XVXFSUKBXLPEPX-UHFFFAOYSA-N -1 3 366.418 2.537 20 70 FFIDHM COc1ccc(Br)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000161461369 509117760 /nfs/dbraw/zinc/11/77/60/509117760.db2.gz JWJKWWDBDNUCRO-UHFFFAOYSA-N -1 3 365.109 2.847 20 70 FFIDHM COc1ccc(Br)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000161461369 509117766 /nfs/dbraw/zinc/11/77/66/509117766.db2.gz JWJKWWDBDNUCRO-UHFFFAOYSA-N -1 3 365.109 2.847 20 70 FFIDHM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000159561449 508858713 /nfs/dbraw/zinc/85/87/13/508858713.db2.gz PARRRUOOMCMGNS-HNNXBMFYSA-N -1 3 352.862 2.763 20 70 FFIDHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)s1 ZINC000159650626 508871061 /nfs/dbraw/zinc/87/10/61/508871061.db2.gz ONEWDXIBVVAODF-SNVBAGLBSA-N -1 3 372.537 2.664 20 70 FFIDHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(O)CCCCC2)cc1Cl ZINC000159823103 508895979 /nfs/dbraw/zinc/89/59/79/508895979.db2.gz UNWKSNOYFSFUCE-UHFFFAOYSA-N -1 3 368.282 2.976 20 70 FFIDHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000159941226 508914951 /nfs/dbraw/zinc/91/49/51/508914951.db2.gz ZIHPIPYVLGQEGO-ZDUSSCGKSA-N -1 3 373.833 2.506 20 70 FFIDHM CC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000160038287 508928825 /nfs/dbraw/zinc/92/88/25/508928825.db2.gz DNTXKRZERPXNHW-CQSZACIVSA-N -1 3 373.291 2.997 20 70 FFIDHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160183824 508950650 /nfs/dbraw/zinc/95/06/50/508950650.db2.gz BFXQGVIXKVAKRZ-UHFFFAOYSA-N -1 3 360.273 2.926 20 70 FFIDHM COc1cc(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc(OC)c1 ZINC000160202092 508953774 /nfs/dbraw/zinc/95/37/74/508953774.db2.gz PTEKAHXYJRNLAB-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM COc1cc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc(OC)c1 ZINC000160202092 508953777 /nfs/dbraw/zinc/95/37/77/508953777.db2.gz PTEKAHXYJRNLAB-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM COc1cc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc(OC)c1 ZINC000160202092 508953780 /nfs/dbraw/zinc/95/37/80/508953780.db2.gz PTEKAHXYJRNLAB-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM COc1cccc(Cl)c1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000160918594 509048344 /nfs/dbraw/zinc/04/83/44/509048344.db2.gz RYXWQJLEOVHRQD-UHFFFAOYSA-N -1 3 374.824 2.652 20 70 FFIDHM C[C@@]1(c2cccc(C(=O)Nc3cccc4cccnc43)c2)NC(=O)[N-]C1=O ZINC000161342735 509104398 /nfs/dbraw/zinc/10/43/98/509104398.db2.gz OOOCDTHTJHVACT-FQEVSTJZSA-N -1 3 360.373 2.542 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)Cc3ccc4c(c3)OCO4)c[n-]c12 ZINC000159545408 508856579 /nfs/dbraw/zinc/85/65/79/508856579.db2.gz REGBSFUSZYIWAY-UHFFFAOYSA-N -1 3 368.364 2.977 20 70 FFIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160005915 508924351 /nfs/dbraw/zinc/92/43/51/508924351.db2.gz VEMMVTMENBWXHI-INIZCTEOSA-N -1 3 357.385 2.526 20 70 FFIDHM Cc1cccc([C@@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccccn2)c1 ZINC000160042417 508929115 /nfs/dbraw/zinc/92/91/15/508929115.db2.gz WCVKYIJKENUKKP-HXUWFJFHSA-N -1 3 362.433 2.538 20 70 FFIDHM Cc1ccc(C(C)(C)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000160212064 508955157 /nfs/dbraw/zinc/95/51/57/508955157.db2.gz GCLLCTPVCOIHGU-UHFFFAOYSA-N -1 3 366.461 2.963 20 70 FFIDHM O=C(C/C=C/c1cccc(F)c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160217658 508956147 /nfs/dbraw/zinc/95/61/47/508956147.db2.gz LAHQPPYFIWVLIV-DUXPYHPUSA-N -1 3 368.408 2.919 20 70 FFIDHM Cc1nc(C)c(CC(=O)NCCCOc2ccc3ccccc3c2)c(=O)[n-]1 ZINC000160729408 509026162 /nfs/dbraw/zinc/02/61/62/509026162.db2.gz PBGKQTLBFACOHD-UHFFFAOYSA-N -1 3 365.433 2.668 20 70 FFIDHM CCC(=O)c1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000160744080 509027582 /nfs/dbraw/zinc/02/75/82/509027582.db2.gz UIAPWWZGWPJFTF-NSHDSACASA-N -1 3 366.464 2.646 20 70 FFIDHM COc1ccc(C(=O)Nc2ncccc2[O-])c(I)c1 ZINC000159723213 508880604 /nfs/dbraw/zinc/88/06/04/508880604.db2.gz XZDOYBORKCHPDI-UHFFFAOYSA-N -1 3 370.146 2.653 20 70 FFIDHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000159940695 508915255 /nfs/dbraw/zinc/91/52/55/508915255.db2.gz UFBFZNJCRRYCKJ-ZDUSSCGKSA-N -1 3 373.833 2.506 20 70 FFIDHM CC(C)OCc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000160210159 508954947 /nfs/dbraw/zinc/95/49/47/508954947.db2.gz GYDBWKJJBCGUQR-OAHLLOKOSA-N -1 3 356.488 2.514 20 70 FFIDHM O=C(CCCNC(=O)c1cccnc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000160231908 508957652 /nfs/dbraw/zinc/95/76/52/508957652.db2.gz CYPPLIXWPHRKFW-UHFFFAOYSA-N -1 3 367.327 2.955 20 70 FFIDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1CC ZINC000160244425 508959200 /nfs/dbraw/zinc/95/92/00/508959200.db2.gz KRBSCDYPXGDTSF-UHFFFAOYSA-N -1 3 350.415 2.850 20 70 FFIDHM COc1ccc(-n2ccc(C(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)n2)cc1 ZINC000160281552 508965180 /nfs/dbraw/zinc/96/51/80/508965180.db2.gz QMSCRBJSYMPUQB-UHFFFAOYSA-N -1 3 364.365 2.820 20 70 FFIDHM COc1ccc(-n2ccc(C(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)n2)cc1 ZINC000160281552 508965184 /nfs/dbraw/zinc/96/51/84/508965184.db2.gz QMSCRBJSYMPUQB-UHFFFAOYSA-N -1 3 364.365 2.820 20 70 FFIDHM COc1ccc(-n2ccc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)n2)cc1 ZINC000160281552 508965187 /nfs/dbraw/zinc/96/51/87/508965187.db2.gz QMSCRBJSYMPUQB-UHFFFAOYSA-N -1 3 364.365 2.820 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)[n-]2)o1 ZINC000160339327 508972565 /nfs/dbraw/zinc/97/25/65/508972565.db2.gz QBQOKQNDXTXHLE-UHFFFAOYSA-N -1 3 353.382 2.764 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C(=O)NC(C)C)cc3)n2)o1 ZINC000160339327 508972566 /nfs/dbraw/zinc/97/25/66/508972566.db2.gz QBQOKQNDXTXHLE-UHFFFAOYSA-N -1 3 353.382 2.764 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)n[n-]2)o1 ZINC000160339327 508972567 /nfs/dbraw/zinc/97/25/67/508972567.db2.gz QBQOKQNDXTXHLE-UHFFFAOYSA-N -1 3 353.382 2.764 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000160512980 508997236 /nfs/dbraw/zinc/99/72/36/508997236.db2.gz VRCFHCQUHCXNEL-UHFFFAOYSA-N -1 3 370.424 2.794 20 70 FFIDHM CC(C)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000160580977 509006115 /nfs/dbraw/zinc/00/61/15/509006115.db2.gz KGRMGTZBHMFEGT-HNNXBMFYSA-N -1 3 373.478 2.893 20 70 FFIDHM O=C(CCCOc1ccccc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216732742 509263547 /nfs/dbraw/zinc/26/35/47/509263547.db2.gz YSRZAEGMFZTKHA-UHFFFAOYSA-N -1 3 372.387 2.763 20 70 FFIDHM O=C(CCc1ccc(F)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216740072 509264516 /nfs/dbraw/zinc/26/45/16/509264516.db2.gz OOYZFBHOCPQCHT-UHFFFAOYSA-N -1 3 360.351 2.675 20 70 FFIDHM COc1ccc(C(=O)Nc2ncccc2[O-])cc1I ZINC000159562967 508859059 /nfs/dbraw/zinc/85/90/59/508859059.db2.gz VVTQWIFOQGNBJP-UHFFFAOYSA-N -1 3 370.146 2.653 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nccs1 ZINC000159917710 508911280 /nfs/dbraw/zinc/91/12/80/508911280.db2.gz XQILDVUMHVGYOA-AWEZNQCLSA-N -1 3 365.480 2.700 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OCCOC)cc1)c1nccs1 ZINC000159950178 508915883 /nfs/dbraw/zinc/91/58/83/508915883.db2.gz JIOLJLCZXWCYHL-AWEZNQCLSA-N -1 3 356.469 2.598 20 70 FFIDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000160318877 508969991 /nfs/dbraw/zinc/96/99/91/508969991.db2.gz PKWXZEMITJKEMB-WCQYABFASA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000160318877 508969992 /nfs/dbraw/zinc/96/99/92/508969992.db2.gz PKWXZEMITJKEMB-WCQYABFASA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000160318877 508969994 /nfs/dbraw/zinc/96/99/94/508969994.db2.gz PKWXZEMITJKEMB-WCQYABFASA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)[n-]2)o1 ZINC000160333087 508971702 /nfs/dbraw/zinc/97/17/02/508971702.db2.gz UDBTXIRHUDICSV-UHFFFAOYSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)n2)o1 ZINC000160333087 508971704 /nfs/dbraw/zinc/97/17/04/508971704.db2.gz UDBTXIRHUDICSV-UHFFFAOYSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(NC(=O)C4CC4)cc3)n[n-]2)o1 ZINC000160333087 508971706 /nfs/dbraw/zinc/97/17/06/508971706.db2.gz UDBTXIRHUDICSV-UHFFFAOYSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(=O)[nH]c4cc(F)ccc43)[n-]2)o1 ZINC000160367855 508976731 /nfs/dbraw/zinc/97/67/31/508976731.db2.gz RZBCEQMQFVUNRY-UHFFFAOYSA-N -1 3 353.313 2.606 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(=O)[nH]c4cc(F)ccc43)n2)o1 ZINC000160367855 508976734 /nfs/dbraw/zinc/97/67/34/508976734.db2.gz RZBCEQMQFVUNRY-UHFFFAOYSA-N -1 3 353.313 2.606 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(=O)[nH]c4cc(F)ccc43)n[n-]2)o1 ZINC000160367855 508976737 /nfs/dbraw/zinc/97/67/37/508976737.db2.gz RZBCEQMQFVUNRY-UHFFFAOYSA-N -1 3 353.313 2.606 20 70 FFIDHM CCCn1c(=O)[n-]nc1S[C@H]1CCCN(c2ccccc2F)C1=O ZINC000160459060 508990020 /nfs/dbraw/zinc/99/00/20/508990020.db2.gz MJSRNYHXYJDVQT-ZDUSSCGKSA-N -1 3 350.419 2.821 20 70 FFIDHM CC(C)c1csc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])n1 ZINC000160581105 509005940 /nfs/dbraw/zinc/00/59/40/509005940.db2.gz KGRMGTZBHMFEGT-OAHLLOKOSA-N -1 3 373.478 2.893 20 70 FFIDHM COc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)cc(OC)c1[O-] ZINC000160977014 509055672 /nfs/dbraw/zinc/05/56/72/509055672.db2.gz GHSOSQASBBSSPK-GFCCVEGCSA-N -1 3 350.440 2.504 20 70 FFIDHM Cc1cccc2c(=O)c(C(=O)Nc3nc4c(s3)CN(C)CC4)c[n-]c12 ZINC000161272357 509094992 /nfs/dbraw/zinc/09/49/92/509094992.db2.gz CWRUVLSLSQCKDI-UHFFFAOYSA-N -1 3 354.435 2.946 20 70 FFIDHM C[C@H](O)C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000159453013 508843975 /nfs/dbraw/zinc/84/39/75/508843975.db2.gz CBECUIJMTAEERD-GOEBONIOSA-N -1 3 350.418 2.813 20 70 FFIDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN([C@@H](C)c3cccc(F)c3)CC2)on1 ZINC000159479811 508847622 /nfs/dbraw/zinc/84/76/22/508847622.db2.gz VDJZNCBZXUTCSW-LSDHHAIUSA-N -1 3 360.433 2.828 20 70 FFIDHM Cc1cc([N-]C(=O)[C@H](C)N2CCN([C@H](C)c3cccc(F)c3)CC2)on1 ZINC000159480205 508847784 /nfs/dbraw/zinc/84/77/84/508847784.db2.gz VDJZNCBZXUTCSW-CABCVRRESA-N -1 3 360.433 2.828 20 70 FFIDHM Cc1ccc2c(c1)N(C(=O)c1cccc([C@]3(C)NC(=O)[N-]C3=O)c1)CCC2 ZINC000159746596 508884006 /nfs/dbraw/zinc/88/40/06/508884006.db2.gz JXCVEXJEEBXGKK-NRFANRHFSA-N -1 3 363.417 2.643 20 70 FFIDHM O=S(=O)([N-]Cc1ccccc1CO)c1cc(C(F)(F)F)ccc1F ZINC000159758760 508886483 /nfs/dbraw/zinc/88/64/83/508886483.db2.gz KTFACYGQKDALOG-UHFFFAOYSA-N -1 3 363.332 2.815 20 70 FFIDHM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(F)cc1C(F)(F)F ZINC000159758891 508886526 /nfs/dbraw/zinc/88/65/26/508886526.db2.gz LTKRLGFYWNQTQG-UHFFFAOYSA-N -1 3 363.332 2.815 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H](C)NC(=O)C3CCCCC3)[n-]2)o1 ZINC000160247228 508960144 /nfs/dbraw/zinc/96/01/44/508960144.db2.gz XGOVOANNFVZZSQ-LLVKDONJSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H](C)NC(=O)C3CCCCC3)n2)o1 ZINC000160247228 508960147 /nfs/dbraw/zinc/96/01/47/508960147.db2.gz XGOVOANNFVZZSQ-LLVKDONJSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)NC(=O)C3CCCCC3)n[n-]2)o1 ZINC000160247228 508960151 /nfs/dbraw/zinc/96/01/51/508960151.db2.gz XGOVOANNFVZZSQ-LLVKDONJSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCOC3(CCCCC3)C2)c([O-])c1 ZINC000160432008 508986038 /nfs/dbraw/zinc/98/60/38/508986038.db2.gz SDJUKZZRZKVJOO-INIZCTEOSA-N -1 3 374.481 2.819 20 70 FFIDHM CCCN(CC)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cn1 ZINC000160901619 509045938 /nfs/dbraw/zinc/04/59/38/509045938.db2.gz CPVXDKKJZQFYFA-UHFFFAOYSA-N -1 3 351.414 2.750 20 70 FFIDHM CCCN(CC)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cn1 ZINC000160901619 509045941 /nfs/dbraw/zinc/04/59/41/509045941.db2.gz CPVXDKKJZQFYFA-UHFFFAOYSA-N -1 3 351.414 2.750 20 70 FFIDHM CCCN(CC)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cn1 ZINC000160901619 509045945 /nfs/dbraw/zinc/04/59/45/509045945.db2.gz CPVXDKKJZQFYFA-UHFFFAOYSA-N -1 3 351.414 2.750 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-n4ccnc4)nc3)cc2)n1 ZINC000161180393 509082002 /nfs/dbraw/zinc/08/20/02/509082002.db2.gz DKKBJZPAIFZRGK-UHFFFAOYSA-N -1 3 372.388 2.578 20 70 FFIDHM CCN1CCC([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000161389654 509110815 /nfs/dbraw/zinc/11/08/15/509110815.db2.gz GQSCAKFEBMRAPO-UHFFFAOYSA-N -1 3 371.553 2.943 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(F)cc1F ZINC000159624538 508867886 /nfs/dbraw/zinc/86/78/86/508867886.db2.gz CKSXZZCKJRCQHJ-LBPRGKRZSA-N -1 3 359.350 2.774 20 70 FFIDHM CC(C)N(CCN(C)C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000159748872 508884808 /nfs/dbraw/zinc/88/48/08/508884808.db2.gz JWWBGKQFYXQWKG-UHFFFAOYSA-N -1 3 358.280 2.636 20 70 FFIDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159865529 508902553 /nfs/dbraw/zinc/90/25/53/508902553.db2.gz AOBJQEIZCXEYTO-GDBMZVCRSA-N -1 3 350.440 2.738 20 70 FFIDHM CCCC1(CNC(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3CC)CC1 ZINC000160713432 509023695 /nfs/dbraw/zinc/02/36/95/509023695.db2.gz MWCHMUHNLAUWLA-UHFFFAOYSA-N -1 3 372.469 2.538 20 70 FFIDHM CCC(=O)c1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000160743945 509027637 /nfs/dbraw/zinc/02/76/37/509027637.db2.gz UIAPWWZGWPJFTF-LLVKDONJSA-N -1 3 366.464 2.646 20 70 FFIDHM Cc1ccccc1/C=C/C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216740590 509263697 /nfs/dbraw/zinc/26/36/97/509263697.db2.gz CWVXEEPPTZZBGJ-VOTSOKGWSA-N -1 3 354.372 2.925 20 70 FFIDHM COc1ccc(S(=O)(=O)[N-]CC2(O)CCCCC2)c(Cl)c1Cl ZINC000159823622 508896120 /nfs/dbraw/zinc/89/61/20/508896120.db2.gz FALRGOWYHHXJKX-UHFFFAOYSA-N -1 3 368.282 2.976 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCCNC(=O)c3ccc(F)cc3)[n-]2)o1 ZINC000160161984 508947571 /nfs/dbraw/zinc/94/75/71/508947571.db2.gz XYXZVYLDOCTJNE-UHFFFAOYSA-N -1 3 371.372 2.661 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCNC(=O)c3ccc(F)cc3)n2)o1 ZINC000160161984 508947573 /nfs/dbraw/zinc/94/75/73/508947573.db2.gz XYXZVYLDOCTJNE-UHFFFAOYSA-N -1 3 371.372 2.661 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCCNC(=O)c3ccc(F)cc3)n[n-]2)o1 ZINC000160161984 508947576 /nfs/dbraw/zinc/94/75/76/508947576.db2.gz XYXZVYLDOCTJNE-UHFFFAOYSA-N -1 3 371.372 2.661 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3nnc(C4CCCC4)o3)[n-]2)o1 ZINC000160242858 508959060 /nfs/dbraw/zinc/95/90/60/508959060.db2.gz OMDDNEWLYAUCMO-UHFFFAOYSA-N -1 3 356.386 2.985 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3nnc(C4CCCC4)o3)n2)o1 ZINC000160242858 508959064 /nfs/dbraw/zinc/95/90/64/508959064.db2.gz OMDDNEWLYAUCMO-UHFFFAOYSA-N -1 3 356.386 2.985 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCc3nnc(C4CCCC4)o3)n[n-]2)o1 ZINC000160242858 508959068 /nfs/dbraw/zinc/95/90/68/508959068.db2.gz OMDDNEWLYAUCMO-UHFFFAOYSA-N -1 3 356.386 2.985 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc4c([nH]c3=O)CCCCC4)[n-]2)o1 ZINC000160294598 508966422 /nfs/dbraw/zinc/96/64/22/508966422.db2.gz QCFYVYNXTBEZNI-UHFFFAOYSA-N -1 3 353.382 2.583 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc4c([nH]c3=O)CCCCC4)n2)o1 ZINC000160294598 508966427 /nfs/dbraw/zinc/96/64/27/508966427.db2.gz QCFYVYNXTBEZNI-UHFFFAOYSA-N -1 3 353.382 2.583 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cc4c([nH]c3=O)CCCCC4)n[n-]2)o1 ZINC000160294598 508966429 /nfs/dbraw/zinc/96/64/29/508966429.db2.gz QCFYVYNXTBEZNI-UHFFFAOYSA-N -1 3 353.382 2.583 20 70 FFIDHM CC[C@@H](OC1CCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160402380 508981982 /nfs/dbraw/zinc/98/19/82/508981982.db2.gz XLOLHDUYYNSEPM-LJQANCHMSA-N -1 3 374.481 2.805 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(N4CCCNC4=O)c3)[n-]2)o1 ZINC000160401831 508982007 /nfs/dbraw/zinc/98/20/07/508982007.db2.gz SCEOWWIINZUNMP-UHFFFAOYSA-N -1 3 366.381 2.545 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(N4CCCNC4=O)c3)n2)o1 ZINC000160401831 508982009 /nfs/dbraw/zinc/98/20/09/508982009.db2.gz SCEOWWIINZUNMP-UHFFFAOYSA-N -1 3 366.381 2.545 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(N4CCCNC4=O)c3)n[n-]2)o1 ZINC000160401831 508982014 /nfs/dbraw/zinc/98/20/14/508982014.db2.gz SCEOWWIINZUNMP-UHFFFAOYSA-N -1 3 366.381 2.545 20 70 FFIDHM CCCN(CC(=O)Nc1ccccc1OC)Cc1nc(CC)cc(=O)[n-]1 ZINC000160527518 508998877 /nfs/dbraw/zinc/99/88/77/508998877.db2.gz ZSFONKCGIQXPFV-UHFFFAOYSA-N -1 3 358.442 2.604 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)CCC(=O)OC(C)(C)C)c[n-]c12 ZINC000160607241 509009318 /nfs/dbraw/zinc/00/93/18/509009318.db2.gz OETRQUCAXTYGSY-UHFFFAOYSA-N -1 3 362.401 2.779 20 70 FFIDHM CCCCN1CCc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc21 ZINC000160963355 509053899 /nfs/dbraw/zinc/05/38/99/509053899.db2.gz GTJKGGUWUDFLOG-UHFFFAOYSA-N -1 3 354.454 2.731 20 70 FFIDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)o1 ZINC000160992810 509057944 /nfs/dbraw/zinc/05/79/44/509057944.db2.gz OGVZZARSFUNCRS-UHFFFAOYSA-N -1 3 367.276 2.814 20 70 FFIDHM O=S(=O)([N-][C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)cc(Cl)c1 ZINC000159379551 508833122 /nfs/dbraw/zinc/83/31/22/508833122.db2.gz WJZIZLYKMMAILA-CYBMUJFWSA-N -1 3 372.277 2.946 20 70 FFIDHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)s2)s1 ZINC000159650785 508871412 /nfs/dbraw/zinc/87/14/12/508871412.db2.gz ONEWDXIBVVAODF-JTQLQIEISA-N -1 3 372.537 2.664 20 70 FFIDHM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000159706565 508878387 /nfs/dbraw/zinc/87/83/87/508878387.db2.gz PPZGEJOUCPFXMU-UHFFFAOYSA-N -1 3 366.277 2.551 20 70 FFIDHM CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])nn1 ZINC000159896563 508908493 /nfs/dbraw/zinc/90/84/93/508908493.db2.gz HFDCPEITHREWKV-UHFFFAOYSA-N -1 3 370.331 2.870 20 70 FFIDHM O=C([N-]OCc1cccnc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000160722248 509025398 /nfs/dbraw/zinc/02/53/98/509025398.db2.gz ZCOADVZGIHGDJI-MRXNPFEDSA-N -1 3 354.410 2.574 20 70 FFIDHM O=C([N-]c1nc(CN2CCOCC2)cs1)c1c(F)cc(F)cc1F ZINC000161030039 509061306 /nfs/dbraw/zinc/06/13/06/509061306.db2.gz FWGTZXJKHUCQDO-UHFFFAOYSA-N -1 3 357.357 2.645 20 70 FFIDHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000161073733 509067911 /nfs/dbraw/zinc/06/79/11/509067911.db2.gz PEKMSCPHGSNGKJ-LBPRGKRZSA-N -1 3 360.262 2.875 20 70 FFIDHM COc1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc(OC)c1[O-] ZINC000161112312 509073261 /nfs/dbraw/zinc/07/32/61/509073261.db2.gz CUAKJGWWUPLJOO-UHFFFAOYSA-N -1 3 367.405 2.867 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3c4ccccc4NC3=O)cc2)n1 ZINC000161137501 509076409 /nfs/dbraw/zinc/07/64/09/509076409.db2.gz LKNMLBKMUQIEID-INIZCTEOSA-N -1 3 374.400 2.810 20 70 FFIDHM CC(C)(NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1cccc(F)c1 ZINC000161337158 509103424 /nfs/dbraw/zinc/10/34/24/509103424.db2.gz QAKUZGNEHOQLAF-FQEVSTJZSA-N -1 3 369.396 2.545 20 70 FFIDHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)ccc1F ZINC000159555329 508857825 /nfs/dbraw/zinc/85/78/25/508857825.db2.gz BVLJGBJHDOLYHC-UHFFFAOYSA-N -1 3 374.397 2.635 20 70 FFIDHM O=C(Cc1cccc(I)c1)Nc1ncccc1[O-] ZINC000159724556 508880743 /nfs/dbraw/zinc/88/07/43/508880743.db2.gz JYZDXBFHFAPTBI-UHFFFAOYSA-N -1 3 354.147 2.573 20 70 FFIDHM O=S(=O)([N-]Cc1ccccc1CO)c1cc(Br)ccc1F ZINC000159751006 508884717 /nfs/dbraw/zinc/88/47/17/508884717.db2.gz DXBZMYBQBPPJMV-UHFFFAOYSA-N -1 3 374.231 2.559 20 70 FFIDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000159848302 508899884 /nfs/dbraw/zinc/89/98/84/508899884.db2.gz XQRMTDUXOPANSD-ZETCQYMHSA-N -1 3 364.254 2.903 20 70 FFIDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159865119 508902583 /nfs/dbraw/zinc/90/25/83/508902583.db2.gz AOBJQEIZCXEYTO-HOCLYGCPSA-N -1 3 350.440 2.738 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1C)c1nccs1 ZINC000159961046 508917327 /nfs/dbraw/zinc/91/73/27/508917327.db2.gz NSDYQAAGYBNEAX-LBPRGKRZSA-N -1 3 354.453 2.668 20 70 FFIDHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(F)cc3cccnc32)s1 ZINC000160081766 508935874 /nfs/dbraw/zinc/93/58/74/508935874.db2.gz RQFLBLRWBXGTLZ-UHFFFAOYSA-N -1 3 360.370 2.583 20 70 FFIDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000160224742 508956642 /nfs/dbraw/zinc/95/66/42/508956642.db2.gz HFKDFVGNNPBKPS-UHFFFAOYSA-N -1 3 356.271 2.831 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cnn(-c4ccccc4F)c3)[n-]2)o1 ZINC000160283043 508964904 /nfs/dbraw/zinc/96/49/04/508964904.db2.gz HUXUENALYKLVMQ-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cnn(-c4ccccc4F)c3)n2)o1 ZINC000160283043 508964908 /nfs/dbraw/zinc/96/49/08/508964908.db2.gz HUXUENALYKLVMQ-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4F)c3)n[n-]2)o1 ZINC000160283043 508964913 /nfs/dbraw/zinc/96/49/13/508964913.db2.gz HUXUENALYKLVMQ-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)[n-]2)o1 ZINC000160309359 508967989 /nfs/dbraw/zinc/96/79/89/508967989.db2.gz ROMRJCMFTCPJIN-NSHDSACASA-N -1 3 369.356 2.504 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n2)o1 ZINC000160309359 508967991 /nfs/dbraw/zinc/96/79/91/508967991.db2.gz ROMRJCMFTCPJIN-NSHDSACASA-N -1 3 369.356 2.504 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n[n-]2)o1 ZINC000160309359 508967993 /nfs/dbraw/zinc/96/79/93/508967993.db2.gz ROMRJCMFTCPJIN-NSHDSACASA-N -1 3 369.356 2.504 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4nnc(C)o4)cc3)[n-]2)o1 ZINC000160369061 508976669 /nfs/dbraw/zinc/97/66/69/508976669.db2.gz SBVXRQRJOMNVQK-UHFFFAOYSA-N -1 3 350.338 2.984 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-c4nnc(C)o4)cc3)n2)o1 ZINC000160369061 508976671 /nfs/dbraw/zinc/97/66/71/508976671.db2.gz SBVXRQRJOMNVQK-UHFFFAOYSA-N -1 3 350.338 2.984 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4nnc(C)o4)cc3)n[n-]2)o1 ZINC000160369061 508976673 /nfs/dbraw/zinc/97/66/73/508976673.db2.gz SBVXRQRJOMNVQK-UHFFFAOYSA-N -1 3 350.338 2.984 20 70 FFIDHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)c2ncc(C(C)(C)C)s2)on1 ZINC000160377058 508978548 /nfs/dbraw/zinc/97/85/48/508978548.db2.gz IKFXZVXTPFQEPU-VIFPVBQESA-N -1 3 357.457 2.538 20 70 FFIDHM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1ncccc1[O-])CC2 ZINC000160480821 508993032 /nfs/dbraw/zinc/99/30/32/508993032.db2.gz AUEDVKPELCOFRD-VIFPVBQESA-N -1 3 352.316 2.648 20 70 FFIDHM COc1cc(C(=O)NCCCn2cnc3ccccc32)cc(OC)c1[O-] ZINC000161053999 509065384 /nfs/dbraw/zinc/06/53/84/509065384.db2.gz UAYSBYLIIILUPA-UHFFFAOYSA-N -1 3 355.394 2.579 20 70 FFIDHM Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)n1 ZINC000161142111 509077081 /nfs/dbraw/zinc/07/70/81/509077081.db2.gz NXPVDUQBCVFSEX-AWEZNQCLSA-N -1 3 351.410 2.758 20 70 FFIDHM COc1cccc(OCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000161158554 509078991 /nfs/dbraw/zinc/07/89/91/509078991.db2.gz UYQZZQCOZCNWAR-UHFFFAOYSA-N -1 3 365.389 2.771 20 70 FFIDHM COc1ccc(C(F)(F)C(=O)[N-]Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000161214292 509086305 /nfs/dbraw/zinc/08/63/05/509086305.db2.gz VLBYDOGYSPCOEC-UHFFFAOYSA-N -1 3 363.286 2.856 20 70 FFIDHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1ccc(F)cc1C(F)(F)F ZINC000161363848 509106790 /nfs/dbraw/zinc/10/67/90/509106790.db2.gz SETNGSFMSVXYTG-HOMQSWHASA-N -1 3 355.353 2.674 20 70 FFIDHM Cc1cccc2c(=O)c(C(=O)N3CCN(c4cccc(O)c4)CC3)c[n-]c12 ZINC000161422104 509114325 /nfs/dbraw/zinc/11/43/25/509114325.db2.gz LVUTXMBWLOQUDX-UHFFFAOYSA-N -1 3 363.417 2.917 20 70 FFIDHM CCN(Cc1cccc(F)c1)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000159542614 508855736 /nfs/dbraw/zinc/85/57/36/508855736.db2.gz SFUAIWZGBKXAJS-FQEVSTJZSA-N -1 3 369.396 2.543 20 70 FFIDHM O=S(=O)([N-]CCc1ccccc1O)c1cc(Br)ccc1F ZINC000159657597 508872198 /nfs/dbraw/zinc/87/21/98/508872198.db2.gz DTAXFCXYYZTPGQ-UHFFFAOYSA-N -1 3 374.231 2.815 20 70 FFIDHM O=C(NCCCC(=O)N1Cc2ccccc2C1)NCc1ccc([O-])c(F)c1 ZINC000159663332 508872765 /nfs/dbraw/zinc/87/27/65/508872765.db2.gz OUTZQGNLDGCKAL-UHFFFAOYSA-N -1 3 371.412 2.653 20 70 FFIDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)s1 ZINC000159686026 508875942 /nfs/dbraw/zinc/87/59/42/508875942.db2.gz FDJHBDATVXERIR-ZDUSSCGKSA-N -1 3 366.508 2.775 20 70 FFIDHM Cc1ccc2c(c1)N(C(=O)c1cccc([C@@]3(C)NC(=O)[N-]C3=O)c1)CCC2 ZINC000159746458 508883940 /nfs/dbraw/zinc/88/39/40/508883940.db2.gz JXCVEXJEEBXGKK-OAQYLSRUSA-N -1 3 363.417 2.643 20 70 FFIDHM Cc1cc(C)cc(CCC(=O)NCCCNC(=O)c2cccc([O-])c2)c1 ZINC000159748966 508884982 /nfs/dbraw/zinc/88/49/82/508884982.db2.gz KUAOCJGFYKEPDF-UHFFFAOYSA-N -1 3 354.450 2.878 20 70 FFIDHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(-n2ccnn2)c1 ZINC000160328655 508971640 /nfs/dbraw/zinc/97/16/40/508971640.db2.gz SPYCSTVVSRTHFQ-UHFFFAOYSA-N -1 3 373.210 2.665 20 70 FFIDHM COCCOCc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)ccc1F ZINC000160369209 508976792 /nfs/dbraw/zinc/97/67/92/508976792.db2.gz XFZXUHGTBAEMIL-UHFFFAOYSA-N -1 3 374.372 2.928 20 70 FFIDHM COCCOCc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)ccc1F ZINC000160369209 508976795 /nfs/dbraw/zinc/97/67/95/508976795.db2.gz XFZXUHGTBAEMIL-UHFFFAOYSA-N -1 3 374.372 2.928 20 70 FFIDHM COCCOCc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1F ZINC000160369209 508976800 /nfs/dbraw/zinc/97/68/00/508976800.db2.gz XFZXUHGTBAEMIL-UHFFFAOYSA-N -1 3 374.372 2.928 20 70 FFIDHM COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc(OC)c1[O-] ZINC000160390836 508980467 /nfs/dbraw/zinc/98/04/67/508980467.db2.gz VJEJARVQCSZQSV-CQSZACIVSA-N -1 3 360.410 2.569 20 70 FFIDHM Cc1ccc(C(=O)NCCC(=O)N2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC000160862890 509041475 /nfs/dbraw/zinc/04/14/75/509041475.db2.gz BYDYAIUEKSEPLX-UHFFFAOYSA-N -1 3 362.470 2.627 20 70 FFIDHM COCCOc1cccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160867683 509041592 /nfs/dbraw/zinc/04/15/92/509041592.db2.gz LWBFEVUDFSKPAA-UHFFFAOYSA-N -1 3 356.382 2.580 20 70 FFIDHM COCCOc1cccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160867683 509041595 /nfs/dbraw/zinc/04/15/95/509041595.db2.gz LWBFEVUDFSKPAA-UHFFFAOYSA-N -1 3 356.382 2.580 20 70 FFIDHM COCCOc1cccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160867683 509041596 /nfs/dbraw/zinc/04/15/96/509041596.db2.gz LWBFEVUDFSKPAA-UHFFFAOYSA-N -1 3 356.382 2.580 20 70 FFIDHM CC1(C)CCC[C@H](CC(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000160945582 509051883 /nfs/dbraw/zinc/05/18/83/509051883.db2.gz SHMNTMXNPLWSIZ-CYBMUJFWSA-N -1 3 358.529 2.749 20 70 FFIDHM CCN(CCNC(=O)c1cc(OC)c([O-])c(OC)c1)c1cccc(C)c1 ZINC000161082763 509069122 /nfs/dbraw/zinc/06/91/22/509069122.db2.gz HUFDZPNNUALHEZ-UHFFFAOYSA-N -1 3 358.438 2.974 20 70 FFIDHM Cc1nc(C)c(CCC(=O)N2CCC(C)(c3ccccc3)CC2)c(=O)[n-]1 ZINC000161114688 509073639 /nfs/dbraw/zinc/07/36/39/509073639.db2.gz ZYZHILZHSTTZFZ-UHFFFAOYSA-N -1 3 353.466 2.900 20 70 FFIDHM Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CO2 ZINC000160133049 508943909 /nfs/dbraw/zinc/94/39/09/508943909.db2.gz QDWXNBSAMAJYCG-SJORKVTESA-N -1 3 366.417 2.555 20 70 FFIDHM COc1ccc(C(C)=O)cc1CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160329207 508971810 /nfs/dbraw/zinc/97/18/10/508971810.db2.gz FYCPTBDHIBFPOR-UHFFFAOYSA-N -1 3 354.366 2.766 20 70 FFIDHM COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160329207 508971811 /nfs/dbraw/zinc/97/18/11/508971811.db2.gz FYCPTBDHIBFPOR-UHFFFAOYSA-N -1 3 354.366 2.766 20 70 FFIDHM COc1ccc(C(C)=O)cc1CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160329207 508971814 /nfs/dbraw/zinc/97/18/14/508971814.db2.gz FYCPTBDHIBFPOR-UHFFFAOYSA-N -1 3 354.366 2.766 20 70 FFIDHM COc1cccc2c1OCC(C(=O)Nc1nnc(-c3ccc(C)o3)[n-]1)=C2 ZINC000160347331 508974266 /nfs/dbraw/zinc/97/42/66/508974266.db2.gz WOFSNVJDLGMOLF-UHFFFAOYSA-N -1 3 352.350 2.796 20 70 FFIDHM COc1cccc2c1OCC(C(=O)Nc1nc(-c3ccc(C)o3)n[n-]1)=C2 ZINC000160347331 508974268 /nfs/dbraw/zinc/97/42/68/508974268.db2.gz WOFSNVJDLGMOLF-UHFFFAOYSA-N -1 3 352.350 2.796 20 70 FFIDHM COc1cccc2c1OCC(C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)=C2 ZINC000160347331 508974270 /nfs/dbraw/zinc/97/42/70/508974270.db2.gz WOFSNVJDLGMOLF-UHFFFAOYSA-N -1 3 352.350 2.796 20 70 FFIDHM Cc1cc(Cl)cc(NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1[O-] ZINC000160937454 509050142 /nfs/dbraw/zinc/05/01/42/509050142.db2.gz HYEOJYRIINAMNG-UHFFFAOYSA-N -1 3 350.806 2.813 20 70 FFIDHM CCCS(=O)(=O)Nc1cccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000160965286 509054294 /nfs/dbraw/zinc/05/42/94/509054294.db2.gz DQCCBISKAICZQP-LBPRGKRZSA-N -1 3 366.443 2.574 20 70 FFIDHM CC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000160979307 509056420 /nfs/dbraw/zinc/05/64/20/509056420.db2.gz YGPCGKNCEVFDIK-UHFFFAOYSA-N -1 3 368.680 2.950 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1 ZINC000161208691 509086741 /nfs/dbraw/zinc/08/67/41/509086741.db2.gz UOVBIGUVFLYMTC-UHFFFAOYSA-N -1 3 363.373 2.769 20 70 FFIDHM COC(=O)c1sc2[n-]c(-c3ccc4c(c3)ncn4C)nc(=O)c2c1C ZINC000160325816 508970900 /nfs/dbraw/zinc/97/09/00/508970900.db2.gz XEIVYKBSTDTTAL-UHFFFAOYSA-N -1 3 354.391 2.633 20 70 FFIDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160411801 508982527 /nfs/dbraw/zinc/98/25/27/508982527.db2.gz UNICJVDHTJSGCR-LBPRGKRZSA-N -1 3 354.366 2.982 20 70 FFIDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160411801 508982529 /nfs/dbraw/zinc/98/25/29/508982529.db2.gz UNICJVDHTJSGCR-LBPRGKRZSA-N -1 3 354.366 2.982 20 70 FFIDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160411801 508982532 /nfs/dbraw/zinc/98/25/32/508982532.db2.gz UNICJVDHTJSGCR-LBPRGKRZSA-N -1 3 354.366 2.982 20 70 FFIDHM COc1cccc(CO[C@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160429044 508985791 /nfs/dbraw/zinc/98/57/91/508985791.db2.gz UPMNXFDJKLUSJN-GFCCVEGCSA-N -1 3 356.382 2.926 20 70 FFIDHM COc1cccc(CO[C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160429044 508985794 /nfs/dbraw/zinc/98/57/94/508985794.db2.gz UPMNXFDJKLUSJN-GFCCVEGCSA-N -1 3 356.382 2.926 20 70 FFIDHM COc1cccc(CO[C@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160429044 508985795 /nfs/dbraw/zinc/98/57/95/508985795.db2.gz UPMNXFDJKLUSJN-GFCCVEGCSA-N -1 3 356.382 2.926 20 70 FFIDHM CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1cccc(OC)c1 ZINC000160468505 508991662 /nfs/dbraw/zinc/99/16/62/508991662.db2.gz OTVLRXVOZRPONM-GFCCVEGCSA-N -1 3 352.390 2.802 20 70 FFIDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCCc2sccc2C)s1 ZINC000160501454 508995938 /nfs/dbraw/zinc/99/59/38/508995938.db2.gz NBEBKSSCKVFJFH-UHFFFAOYSA-N -1 3 372.537 2.665 20 70 FFIDHM Cc1ccc(C(=O)CCN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000160596155 509007406 /nfs/dbraw/zinc/00/74/06/509007406.db2.gz NSTVUFUWWZPUJU-UHFFFAOYSA-N -1 3 352.434 2.731 20 70 FFIDHM O=C(c1cc2c(s1)CCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000160731435 509026185 /nfs/dbraw/zinc/02/61/85/509026185.db2.gz UALHPRKKWHDMQD-UHFFFAOYSA-N -1 3 356.447 2.541 20 70 FFIDHM COc1ccccc1-c1nc(NC(=O)COc2cc(C)ccc2F)n[n-]1 ZINC000160879376 509042985 /nfs/dbraw/zinc/04/29/85/509042985.db2.gz DOIKCBBXRXAJHT-UHFFFAOYSA-N -1 3 356.357 2.945 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](Oc4ccncc4)C3)c[n-]c12 ZINC000160951688 509052275 /nfs/dbraw/zinc/05/22/75/509052275.db2.gz RWDPCNGXZSXZIU-OAHLLOKOSA-N -1 3 367.380 2.664 20 70 FFIDHM COc1cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)cc(OC)c1[O-] ZINC000161010573 509059393 /nfs/dbraw/zinc/05/93/93/509059393.db2.gz XANLXGZPSBLOOZ-UHFFFAOYSA-N -1 3 370.449 2.676 20 70 FFIDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c(Cl)cc1F ZINC000161035062 509062878 /nfs/dbraw/zinc/06/28/78/509062878.db2.gz IVNCTWRFPVTTHA-ZDUSSCGKSA-N -1 3 357.834 2.669 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn(C)c3-n3cccc3)cc2)n1 ZINC000161183623 509081837 /nfs/dbraw/zinc/08/18/37/509081837.db2.gz XWOOMCXLCWZGJU-UHFFFAOYSA-N -1 3 374.404 2.522 20 70 FFIDHM C[C@@H](OC1CCCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160064695 508933494 /nfs/dbraw/zinc/93/34/94/508933494.db2.gz WCOFJFXNZQGNPP-MRXNPFEDSA-N -1 3 374.481 2.805 20 70 FFIDHM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000160227288 508956737 /nfs/dbraw/zinc/95/67/37/508956737.db2.gz LOBVTKOYUDOLCH-UHFFFAOYSA-N -1 3 360.311 2.625 20 70 FFIDHM CCc1[nH]c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c(C)c1C(=O)OC ZINC000160309754 508968378 /nfs/dbraw/zinc/96/83/78/508968378.db2.gz SWVRVYRCHMLXKV-UHFFFAOYSA-N -1 3 357.370 2.611 20 70 FFIDHM CCc1[nH]c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c(C)c1C(=O)OC ZINC000160309754 508968383 /nfs/dbraw/zinc/96/83/83/508968383.db2.gz SWVRVYRCHMLXKV-UHFFFAOYSA-N -1 3 357.370 2.611 20 70 FFIDHM CCc1[nH]c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(C)c1C(=O)OC ZINC000160309754 508968386 /nfs/dbraw/zinc/96/83/86/508968386.db2.gz SWVRVYRCHMLXKV-UHFFFAOYSA-N -1 3 357.370 2.611 20 70 FFIDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2OCCc3ccccc32)c1 ZINC000160925813 509048714 /nfs/dbraw/zinc/04/87/14/509048714.db2.gz ZNWOVBUPTFQIPG-QGZVFWFLSA-N -1 3 360.435 2.619 20 70 FFIDHM CCOc1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)cn1 ZINC000161010483 509059496 /nfs/dbraw/zinc/05/94/96/509059496.db2.gz CQLOREHQICHHSA-UHFFFAOYSA-N -1 3 350.293 2.838 20 70 FFIDHM CC[C@@H](OC1CCCCC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161104763 509071871 /nfs/dbraw/zinc/07/18/71/509071871.db2.gz XFTDIEPDMLQJFJ-LJQANCHMSA-N -1 3 374.481 2.805 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCOCC(F)(F)F)cc2)n1 ZINC000161179861 509082174 /nfs/dbraw/zinc/08/21/74/509082174.db2.gz SAHKLXJNGSGPSF-UHFFFAOYSA-N -1 3 355.316 2.653 20 70 FFIDHM COC(=O)c1sc2[n-]c(CN3CC[C@@H]4CCCC[C@@H]43)nc(=O)c2c1C ZINC000159650359 508871405 /nfs/dbraw/zinc/87/14/05/508871405.db2.gz NIEPWLJOOVPRAQ-RYUDHWBXSA-N -1 3 361.467 2.844 20 70 FFIDHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000159941119 508915047 /nfs/dbraw/zinc/91/50/47/508915047.db2.gz ZIHPIPYVLGQEGO-CYBMUJFWSA-N -1 3 373.833 2.506 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)OC)c1C)c1nccs1 ZINC000159963170 508918132 /nfs/dbraw/zinc/91/81/32/508918132.db2.gz FESMPWAOSGIDHP-LBPRGKRZSA-N -1 3 354.453 2.668 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C)c1nccs1 ZINC000159986083 508920504 /nfs/dbraw/zinc/92/05/04/508920504.db2.gz YKPGAMWDKOIMOZ-GFCCVEGCSA-N -1 3 354.453 2.668 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)[n-]2)o1 ZINC000160304723 508967125 /nfs/dbraw/zinc/96/71/25/508967125.db2.gz GPQFBQLAJVWSTD-ZDUSSCGKSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)n2)o1 ZINC000160304723 508967126 /nfs/dbraw/zinc/96/71/26/508967126.db2.gz GPQFBQLAJVWSTD-ZDUSSCGKSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)n[n-]2)o1 ZINC000160304723 508967127 /nfs/dbraw/zinc/96/71/27/508967127.db2.gz GPQFBQLAJVWSTD-ZDUSSCGKSA-N -1 3 365.393 2.903 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)[n-]2)o1 ZINC000160309210 508967959 /nfs/dbraw/zinc/96/79/59/508967959.db2.gz ROMRJCMFTCPJIN-LLVKDONJSA-N -1 3 369.356 2.504 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)n2)o1 ZINC000160309210 508967961 /nfs/dbraw/zinc/96/79/61/508967961.db2.gz ROMRJCMFTCPJIN-LLVKDONJSA-N -1 3 369.356 2.504 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)n[n-]2)o1 ZINC000160309210 508967962 /nfs/dbraw/zinc/96/79/62/508967962.db2.gz ROMRJCMFTCPJIN-LLVKDONJSA-N -1 3 369.356 2.504 20 70 FFIDHM COc1ccc(OC)c(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160375312 508977724 /nfs/dbraw/zinc/97/77/24/508977724.db2.gz CEFDLSWGIZILDZ-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM COc1ccc(OC)c(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160375312 508977726 /nfs/dbraw/zinc/97/77/26/508977726.db2.gz CEFDLSWGIZILDZ-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM COc1ccc(OC)c(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160375312 508977729 /nfs/dbraw/zinc/97/77/29/508977729.db2.gz CEFDLSWGIZILDZ-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(-c4ccc(C)o4)[n-]3)cn2)n1 ZINC000160413595 508983656 /nfs/dbraw/zinc/98/36/56/508983656.db2.gz JIPSFOFXCBDOSC-UHFFFAOYSA-N -1 3 363.381 2.823 20 70 FFIDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4ccc(C)o4)n[n-]3)cn2)n1 ZINC000160413595 508983662 /nfs/dbraw/zinc/98/36/62/508983662.db2.gz JIPSFOFXCBDOSC-UHFFFAOYSA-N -1 3 363.381 2.823 20 70 FFIDHM Cc1cc(C)n(-c2ccc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)cn2)n1 ZINC000160413595 508983666 /nfs/dbraw/zinc/98/36/66/508983666.db2.gz JIPSFOFXCBDOSC-UHFFFAOYSA-N -1 3 363.381 2.823 20 70 FFIDHM O=C(NCCCNC(=O)c1cccc([O-])c1)Nc1cc(F)c(F)c(F)c1 ZINC000160918538 509047831 /nfs/dbraw/zinc/04/78/31/509047831.db2.gz HRBCWZRVSDYVTM-UHFFFAOYSA-N -1 3 367.327 2.751 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COCCc3ccccc3)cc2)n1 ZINC000161134519 509075567 /nfs/dbraw/zinc/07/55/67/509075567.db2.gz FVYBNSKQIJAWKS-UHFFFAOYSA-N -1 3 363.417 2.943 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)n1 ZINC000161176014 509081123 /nfs/dbraw/zinc/08/11/23/509081123.db2.gz XPGPOHPTGLDLND-UHFFFAOYSA-N -1 3 372.388 2.578 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)n1 ZINC000161202944 509085274 /nfs/dbraw/zinc/08/52/74/509085274.db2.gz ZLOYOHSWWJTLEG-UHFFFAOYSA-N -1 3 357.373 2.941 20 70 FFIDHM CCCOc1ncccc1C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000161218200 509087472 /nfs/dbraw/zinc/08/74/72/509087472.db2.gz DTKDMCKLSDZYDF-UHFFFAOYSA-N -1 3 356.394 2.768 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CSCCS3)cc2)n1 ZINC000161251531 509092281 /nfs/dbraw/zinc/09/22/81/509092281.db2.gz PDVXYZGHTGBOSJ-AWEZNQCLSA-N -1 3 361.492 2.923 20 70 FFIDHM Cc1cc(CN2CCN(C(=O)c3c[n-]c4c(C)cccc4c3=O)CC2)no1 ZINC000161348123 509105661 /nfs/dbraw/zinc/10/56/61/509105661.db2.gz DINGSXPYLJZXMV-UHFFFAOYSA-N -1 3 366.421 2.503 20 70 FFIDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCN([C@H](C)c3cccc(F)c3)CC2)on1 ZINC000159480064 508847719 /nfs/dbraw/zinc/84/77/19/508847719.db2.gz VDJZNCBZXUTCSW-HUUCEWRRSA-N -1 3 360.433 2.828 20 70 FFIDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000159609590 508865439 /nfs/dbraw/zinc/86/54/39/508865439.db2.gz BLSAVIADACZUQS-CYBMUJFWSA-N -1 3 373.544 2.705 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCCNC(=O)c3ccsc3)[n-]2)o1 ZINC000160397705 508981378 /nfs/dbraw/zinc/98/13/78/508981378.db2.gz KZFMUVOJDOBRBT-UHFFFAOYSA-N -1 3 359.411 2.583 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCNC(=O)c3ccsc3)n2)o1 ZINC000160397705 508981380 /nfs/dbraw/zinc/98/13/80/508981380.db2.gz KZFMUVOJDOBRBT-UHFFFAOYSA-N -1 3 359.411 2.583 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCCNC(=O)c3ccsc3)n[n-]2)o1 ZINC000160397705 508981383 /nfs/dbraw/zinc/98/13/83/508981383.db2.gz KZFMUVOJDOBRBT-UHFFFAOYSA-N -1 3 359.411 2.583 20 70 FFIDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)COc2cc(C)ccc2F)c1 ZINC000160594150 509007900 /nfs/dbraw/zinc/00/79/00/509007900.db2.gz AWZIAWWFHWRYPQ-UHFFFAOYSA-N -1 3 366.414 2.832 20 70 FFIDHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000161035693 509062836 /nfs/dbraw/zinc/06/28/36/509062836.db2.gz AHQOLVWKGMYUIS-LBPRGKRZSA-N -1 3 360.262 2.875 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2)n1 ZINC000161151540 509077525 /nfs/dbraw/zinc/07/75/25/509077525.db2.gz FDLOJFHPUXZEEB-UHFFFAOYSA-N -1 3 363.373 2.655 20 70 FFIDHM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(C)C ZINC000161158034 509078142 /nfs/dbraw/zinc/07/81/42/509078142.db2.gz MLHXNWYXNBWVDY-QGZVFWFLSA-N -1 3 361.467 2.766 20 70 FFIDHM COc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000161267184 509094313 /nfs/dbraw/zinc/09/43/13/509094313.db2.gz SOARHDAGLZURAR-MRXNPFEDSA-N -1 3 356.422 2.538 20 70 FFIDHM COc1ccc(/C=C/C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000216741534 509263355 /nfs/dbraw/zinc/26/33/55/509263355.db2.gz SFNLLPIRMXLSSE-QPJJXVBHSA-N -1 3 370.371 2.626 20 70 FFIDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159865250 508902716 /nfs/dbraw/zinc/90/27/16/508902716.db2.gz AOBJQEIZCXEYTO-GOEBONIOSA-N -1 3 350.440 2.738 20 70 FFIDHM O=C(CCSc1ccccc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000159878545 508904950 /nfs/dbraw/zinc/90/49/50/508904950.db2.gz JVAZNCOUMSAFTG-UHFFFAOYSA-N -1 3 370.474 2.859 20 70 FFIDHM Cc1cccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccn2)c1 ZINC000159887987 508906512 /nfs/dbraw/zinc/90/65/12/508906512.db2.gz UXFIEIYUUWOUQT-LJQANCHMSA-N -1 3 371.396 2.793 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)C3CCN(c4ccc(C)cn4)CC3)[n-]2)o1 ZINC000160196260 508953030 /nfs/dbraw/zinc/95/30/30/508953030.db2.gz FCUKMOKZIFPQPZ-UHFFFAOYSA-N -1 3 366.425 2.932 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCN(c4ccc(C)cn4)CC3)n2)o1 ZINC000160196260 508953032 /nfs/dbraw/zinc/95/30/32/508953032.db2.gz FCUKMOKZIFPQPZ-UHFFFAOYSA-N -1 3 366.425 2.932 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)C3CCN(c4ccc(C)cn4)CC3)n[n-]2)o1 ZINC000160196260 508953033 /nfs/dbraw/zinc/95/30/33/508953033.db2.gz FCUKMOKZIFPQPZ-UHFFFAOYSA-N -1 3 366.425 2.932 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)C4CC4)c3)[n-]2)o1 ZINC000160327154 508970789 /nfs/dbraw/zinc/97/07/89/508970789.db2.gz AHCQLPSOXOOZRK-UHFFFAOYSA-N -1 3 351.366 2.974 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(NC(=O)C4CC4)c3)n2)o1 ZINC000160327154 508970790 /nfs/dbraw/zinc/97/07/90/508970790.db2.gz AHCQLPSOXOOZRK-UHFFFAOYSA-N -1 3 351.366 2.974 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(NC(=O)C4CC4)c3)n[n-]2)o1 ZINC000160327154 508970791 /nfs/dbraw/zinc/97/07/91/508970791.db2.gz AHCQLPSOXOOZRK-UHFFFAOYSA-N -1 3 351.366 2.974 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)[n-]2)o1 ZINC000160405832 508982803 /nfs/dbraw/zinc/98/28/03/508982803.db2.gz SCOYFZKPJNEQDX-STQMWFEESA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)o1 ZINC000160405832 508982808 /nfs/dbraw/zinc/98/28/08/508982808.db2.gz SCOYFZKPJNEQDX-STQMWFEESA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)n[n-]2)o1 ZINC000160405832 508982812 /nfs/dbraw/zinc/98/28/12/508982812.db2.gz SCOYFZKPJNEQDX-STQMWFEESA-N -1 3 366.377 2.887 20 70 FFIDHM CC(C)C[C@H]1CCCCN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000160410755 508983159 /nfs/dbraw/zinc/98/31/59/508983159.db2.gz FKWQVIWAXSMZQE-UZLBHIALSA-N -1 3 357.454 2.782 20 70 FFIDHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000160576266 509004934 /nfs/dbraw/zinc/00/49/34/509004934.db2.gz MYVRMWNPGJHNTF-OAHLLOKOSA-N -1 3 370.449 2.616 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCN(c3ncc(Cl)cc3Cl)CC2)n1 ZINC000160894827 509045297 /nfs/dbraw/zinc/04/52/97/509045297.db2.gz FQJXUWVTXFPAKM-UHFFFAOYSA-N -1 3 368.268 2.769 20 70 FFIDHM CC(C)C[C@@H]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000160926467 509048803 /nfs/dbraw/zinc/04/88/03/509048803.db2.gz ORDLYAVAEYMFHN-VBKZILBWSA-N -1 3 357.454 2.640 20 70 FFIDHM O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000160946197 509051667 /nfs/dbraw/zinc/05/16/67/509051667.db2.gz FYDLCHXQFMAEJX-RBSFLKMASA-N -1 3 370.540 2.749 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](C)[C@@H](n4ccnc4)C3)c[n-]c12 ZINC000160963689 509054360 /nfs/dbraw/zinc/05/43/60/509054360.db2.gz QHLVWKWULFSSMG-PXAZEXFGSA-N -1 3 368.412 2.895 20 70 FFIDHM O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccc2n[n-]nc2c1 ZINC000161163892 509078805 /nfs/dbraw/zinc/07/88/05/509078805.db2.gz YAXXOVRXCBKIKL-UHFFFAOYSA-N -1 3 358.348 2.672 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COc3ccc(F)cc3)cc2)n1 ZINC000161201547 509085190 /nfs/dbraw/zinc/08/51/90/509085190.db2.gz ZYBNEIQSCFHFOA-UHFFFAOYSA-N -1 3 353.353 2.902 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CSc3ccncc3)cc2)n1 ZINC000161209233 509086258 /nfs/dbraw/zinc/08/62/58/509086258.db2.gz XTTZEVVBOLFLQF-UHFFFAOYSA-N -1 3 352.419 2.871 20 70 FFIDHM CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(N)=O ZINC000161221068 509088058 /nfs/dbraw/zinc/08/80/58/509088058.db2.gz VCSGFLJQKRYQCF-UHFFFAOYSA-N -1 3 372.796 2.681 20 70 FFIDHM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)s1 ZINC000161229515 509089263 /nfs/dbraw/zinc/08/92/63/509089263.db2.gz ONPCULFBRCCDOF-LLVKDONJSA-N -1 3 370.883 2.765 20 70 FFIDHM O=S(=O)([N-][C@@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1Cl ZINC000159370160 508832398 /nfs/dbraw/zinc/83/23/98/508832398.db2.gz MNHBSUDZJOWLLP-GFCCVEGCSA-N -1 3 372.277 2.946 20 70 FFIDHM CC[C@@H](C)Oc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000159724882 508880672 /nfs/dbraw/zinc/88/06/72/508880672.db2.gz QMVHMZWOBPCABH-DOMZBBRYSA-N -1 3 356.488 2.766 20 70 FFIDHM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(F)cc1Br ZINC000159744339 508884113 /nfs/dbraw/zinc/88/41/13/508884113.db2.gz ZPRXGAYZLTZPDW-UHFFFAOYSA-N -1 3 374.231 2.559 20 70 FFIDHM CC(C)[C@H](C(=O)Nc1ccc(Br)cc1[O-])N1CCCC1=O ZINC000160140258 508944474 /nfs/dbraw/zinc/94/44/74/508944474.db2.gz AJJUIQPXNGTUAB-CQSZACIVSA-N -1 3 355.232 2.740 20 70 FFIDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000160318621 508970088 /nfs/dbraw/zinc/97/00/88/508970088.db2.gz PKWXZEMITJKEMB-AAEUAGOBSA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000160318621 508970091 /nfs/dbraw/zinc/97/00/91/508970091.db2.gz PKWXZEMITJKEMB-AAEUAGOBSA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000160318621 508970094 /nfs/dbraw/zinc/97/00/94/508970094.db2.gz PKWXZEMITJKEMB-AAEUAGOBSA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3c(C)nn(C(F)F)c3C)[n-]2)o1 ZINC000160337238 508972572 /nfs/dbraw/zinc/97/25/72/508972572.db2.gz VKTNVAMSFUPBJW-UHFFFAOYSA-N -1 3 350.329 2.763 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3c(C)nn(C(F)F)c3C)n2)o1 ZINC000160337238 508972573 /nfs/dbraw/zinc/97/25/73/508972573.db2.gz VKTNVAMSFUPBJW-UHFFFAOYSA-N -1 3 350.329 2.763 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)Cc3c(C)nn(C(F)F)c3C)n[n-]2)o1 ZINC000160337238 508972574 /nfs/dbraw/zinc/97/25/74/508972574.db2.gz VKTNVAMSFUPBJW-UHFFFAOYSA-N -1 3 350.329 2.763 20 70 FFIDHM CC[C@H](OC1CCCCC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160402262 508981949 /nfs/dbraw/zinc/98/19/49/508981949.db2.gz XLOLHDUYYNSEPM-IBGZPJMESA-N -1 3 374.481 2.805 20 70 FFIDHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1nnc(-c3ccc(C)o3)[n-]1)CO2 ZINC000160439157 508987407 /nfs/dbraw/zinc/98/74/07/508987407.db2.gz BLCZXKWNFGCNEX-GFCCVEGCSA-N -1 3 354.366 2.572 20 70 FFIDHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(-c3ccc(C)o3)n[n-]1)CO2 ZINC000160439157 508987409 /nfs/dbraw/zinc/98/74/09/508987409.db2.gz BLCZXKWNFGCNEX-GFCCVEGCSA-N -1 3 354.366 2.572 20 70 FFIDHM COc1ccc2c(c1)C[C@@H](C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)CO2 ZINC000160439157 508987411 /nfs/dbraw/zinc/98/74/11/508987411.db2.gz BLCZXKWNFGCNEX-GFCCVEGCSA-N -1 3 354.366 2.572 20 70 FFIDHM O=S(=O)(Cc1c(F)cccc1F)[N-]Cc1cn2cc(Cl)ccc2n1 ZINC000160447687 508988490 /nfs/dbraw/zinc/98/84/90/508988490.db2.gz AVJANHBTFOWOLZ-UHFFFAOYSA-N -1 3 371.796 2.886 20 70 FFIDHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000160923050 509048795 /nfs/dbraw/zinc/04/87/95/509048795.db2.gz WFGITVUBCXZUIB-UHFFFAOYSA-N -1 3 350.227 2.674 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)n1 ZINC000160949737 509051705 /nfs/dbraw/zinc/05/17/05/509051705.db2.gz GYCGVACMAPBHTE-MRXNPFEDSA-N -1 3 351.410 2.736 20 70 FFIDHM COc1cc(Cl)c(S(=O)(=O)[N-]C2(C)CCOCC2)cc1Cl ZINC000160981044 509056515 /nfs/dbraw/zinc/05/65/15/509056515.db2.gz KVCQTUKDOHSXRU-UHFFFAOYSA-N -1 3 354.255 2.849 20 70 FFIDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)c(C)c1 ZINC000161048949 509064378 /nfs/dbraw/zinc/06/43/78/509064378.db2.gz AOPRMQDFVIKDHK-UHFFFAOYSA-N -1 3 371.455 2.788 20 70 FFIDHM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(C)C ZINC000161157930 509078391 /nfs/dbraw/zinc/07/83/91/509078391.db2.gz MLHXNWYXNBWVDY-KRWDZBQOSA-N -1 3 361.467 2.766 20 70 FFIDHM O=C(Cc1ccc([O-])cc1Cl)NCc1ccc(CN2CCOCC2)cc1 ZINC000159607573 508865517 /nfs/dbraw/zinc/86/55/17/508865517.db2.gz HTEQXDBYGQYZGU-UHFFFAOYSA-N -1 3 374.868 2.737 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1cccc(F)c1 ZINC000159713263 508879107 /nfs/dbraw/zinc/87/91/07/508879107.db2.gz YTRYGSHBHLIAAO-UHFFFAOYSA-N -1 3 370.424 2.794 20 70 FFIDHM CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000159725146 508880534 /nfs/dbraw/zinc/88/05/34/508880534.db2.gz QMVHMZWOBPCABH-IUODEOHRSA-N -1 3 356.488 2.766 20 70 FFIDHM CN(C)[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1c(F)cccc1F ZINC000160122454 508941363 /nfs/dbraw/zinc/94/13/63/508941363.db2.gz WIPJEOXDXFELOC-HNNXBMFYSA-N -1 3 367.371 2.912 20 70 FFIDHM COc1ccc(CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000160330880 508971718 /nfs/dbraw/zinc/97/17/18/508971718.db2.gz GWXKSRXCNQUSPO-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM COc1ccc(CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000160330880 508971720 /nfs/dbraw/zinc/97/17/20/508971720.db2.gz GWXKSRXCNQUSPO-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM COc1ccc(CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000160330880 508971721 /nfs/dbraw/zinc/97/17/21/508971721.db2.gz GWXKSRXCNQUSPO-UHFFFAOYSA-N -1 3 356.382 2.962 20 70 FFIDHM CCCn1c(=O)[n-]nc1S[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160458923 508989932 /nfs/dbraw/zinc/98/99/32/508989932.db2.gz MJSRNYHXYJDVQT-CYBMUJFWSA-N -1 3 350.419 2.821 20 70 FFIDHM O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161069582 509067448 /nfs/dbraw/zinc/06/74/48/509067448.db2.gz UNKNTSIKPIVCJK-UHFFFAOYSA-N -1 3 368.220 2.625 20 70 FFIDHM COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc(OC)c1[O-] ZINC000161086087 509069637 /nfs/dbraw/zinc/06/96/37/509069637.db2.gz AISFEXAJPWKPMU-HNNXBMFYSA-N -1 3 362.401 2.581 20 70 FFIDHM COc1ccc2nc(C)cc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)c2c1 ZINC000161482656 509120357 /nfs/dbraw/zinc/12/03/57/509120357.db2.gz QUMASEJISISZQV-UHFFFAOYSA-N -1 3 360.377 2.984 20 70 FFIDHM COc1ccc2nc(C)cc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)c2c1 ZINC000161482656 509120362 /nfs/dbraw/zinc/12/03/62/509120362.db2.gz QUMASEJISISZQV-UHFFFAOYSA-N -1 3 360.377 2.984 20 70 FFIDHM COc1ccc2nc(C)cc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)c2c1 ZINC000161482656 509120366 /nfs/dbraw/zinc/12/03/66/509120366.db2.gz QUMASEJISISZQV-UHFFFAOYSA-N -1 3 360.377 2.984 20 70 FFIDHM COc1ccc([O-])c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1 ZINC000218527619 509278003 /nfs/dbraw/zinc/27/80/03/509278003.db2.gz JUKURXTWALSMTQ-SFHVURJKSA-N -1 3 370.449 2.976 20 70 FFIDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)s2)s1 ZINC000159657077 508872001 /nfs/dbraw/zinc/87/20/01/508872001.db2.gz QSOBPLPDRDUDHW-VIFPVBQESA-N -1 3 359.494 2.814 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OCCOC)cc1)c1nccs1 ZINC000159950317 508916141 /nfs/dbraw/zinc/91/61/41/508916141.db2.gz JIOLJLCZXWCYHL-CQSZACIVSA-N -1 3 356.469 2.598 20 70 FFIDHM CN(C)[C@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1 ZINC000160035951 508928324 /nfs/dbraw/zinc/92/83/24/508928324.db2.gz RAHDOOXTKCRXBE-QGZVFWFLSA-N -1 3 354.422 2.687 20 70 FFIDHM O=C(CCC(=O)NC1CCCC1)NCc1ccc([O-])c(Br)c1 ZINC000160329345 508971916 /nfs/dbraw/zinc/97/19/16/508971916.db2.gz CBAMDGMLMGBEJM-UHFFFAOYSA-N -1 3 369.259 2.610 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)[n-]2)o1 ZINC000160336965 508972472 /nfs/dbraw/zinc/97/24/72/508972472.db2.gz VWQMJGWSJSVVJK-LBPRGKRZSA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)o1 ZINC000160336965 508972473 /nfs/dbraw/zinc/97/24/73/508972473.db2.gz VWQMJGWSJSVVJK-LBPRGKRZSA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)n[n-]2)o1 ZINC000160336965 508972476 /nfs/dbraw/zinc/97/24/76/508972476.db2.gz VWQMJGWSJSVVJK-LBPRGKRZSA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)c2ncc(C(C)(C)C)s2)on1 ZINC000160376987 508978643 /nfs/dbraw/zinc/97/86/43/508978643.db2.gz IKFXZVXTPFQEPU-SECBINFHSA-N -1 3 357.457 2.538 20 70 FFIDHM CCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])[nH]c(C)c1C(N)=O ZINC000160738497 509026803 /nfs/dbraw/zinc/02/68/03/509026803.db2.gz IDEHCYNSMIGGCP-UHFFFAOYSA-N -1 3 355.316 2.961 20 70 FFIDHM Cc1oc(C(=O)[N-]c2ccccc2SC(C)C)cc1S(N)(=O)=O ZINC000160894744 509044225 /nfs/dbraw/zinc/04/42/25/509044225.db2.gz WVKGRGOVNIUKDC-UHFFFAOYSA-N -1 3 354.453 2.988 20 70 FFIDHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1csc(-c2cccs2)n1 ZINC000160921872 509048267 /nfs/dbraw/zinc/04/82/67/509048267.db2.gz FGADEQPGSIIRNW-UHFFFAOYSA-N -1 3 370.481 2.553 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000160986458 509057152 /nfs/dbraw/zinc/05/71/52/509057152.db2.gz JTDARYQBFZMTAR-UHFFFAOYSA-N -1 3 374.872 2.746 20 70 FFIDHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000161028738 509061420 /nfs/dbraw/zinc/06/14/20/509061420.db2.gz MWEVMYGQZFGILO-ZDUSSCGKSA-N -1 3 359.369 2.587 20 70 FFIDHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000161069514 509067162 /nfs/dbraw/zinc/06/71/62/509067162.db2.gz YFZHGNYLIWYRME-LBPRGKRZSA-N -1 3 360.262 2.875 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN(C)Cc3ccccc3)cc2)n1 ZINC000161145369 509077568 /nfs/dbraw/zinc/07/75/68/509077568.db2.gz ZRUIJYSSVXFGJH-UHFFFAOYSA-N -1 3 362.433 2.816 20 70 FFIDHM Cc1c([O-])ccc2c(CN3CCN(Cc4ccncc4)CC3)cc(=O)oc12 ZINC000161196822 509083968 /nfs/dbraw/zinc/08/39/68/509083968.db2.gz YDNMMKXQWAIZIC-UHFFFAOYSA-N -1 3 365.433 2.520 20 70 FFIDHM C[C@]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)(C(N)=O)c1ccccc1 ZINC000161226656 509088788 /nfs/dbraw/zinc/08/87/88/509088788.db2.gz ZMEDQZLMGMFIAK-OAHLLOKOSA-N -1 3 373.261 2.672 20 70 FFIDHM Cc1cccc(C(C)(C)NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000161273032 509095052 /nfs/dbraw/zinc/09/50/52/509095052.db2.gz IOKIRGKQWKTQTK-OAQYLSRUSA-N -1 3 365.433 2.715 20 70 FFIDHM CC(C)(C)c1cc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)no1 ZINC000159393687 508836015 /nfs/dbraw/zinc/83/60/15/508836015.db2.gz ZMHZAIBBRIGRHO-UHFFFAOYSA-N -1 3 360.414 2.619 20 70 FFIDHM CCCC[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCC1 ZINC000159459289 508845447 /nfs/dbraw/zinc/84/54/47/508845447.db2.gz WNIYMBBQFXDCSP-OXJNMPFZSA-N -1 3 357.454 2.830 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)c1nccs1 ZINC000159913528 508910325 /nfs/dbraw/zinc/91/03/25/508910325.db2.gz CNUUSYLZPWWLCL-CYBMUJFWSA-N -1 3 353.469 2.840 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1nccs1 ZINC000159976658 508919736 /nfs/dbraw/zinc/91/97/36/508919736.db2.gz NCSDHVWDMGCEJZ-LBPRGKRZSA-N -1 3 354.453 2.734 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)[n-]2)o1 ZINC000160192073 508952089 /nfs/dbraw/zinc/95/20/89/508952089.db2.gz NBKDIVIVNWSMMA-UHFFFAOYSA-N -1 3 366.356 2.879 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)n2)o1 ZINC000160192073 508952092 /nfs/dbraw/zinc/95/20/92/508952092.db2.gz NBKDIVIVNWSMMA-UHFFFAOYSA-N -1 3 366.356 2.879 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)n[n-]2)o1 ZINC000160192073 508952095 /nfs/dbraw/zinc/95/20/95/508952095.db2.gz NBKDIVIVNWSMMA-UHFFFAOYSA-N -1 3 366.356 2.879 20 70 FFIDHM CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1nnc(-c3ccc(C)o3)[n-]1)CO2 ZINC000160261788 508961695 /nfs/dbraw/zinc/96/16/95/508961695.db2.gz STJLJEHHXVMIKK-CYBMUJFWSA-N -1 3 368.393 2.962 20 70 FFIDHM CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(-c3ccc(C)o3)n[n-]1)CO2 ZINC000160261788 508961698 /nfs/dbraw/zinc/96/16/98/508961698.db2.gz STJLJEHHXVMIKK-CYBMUJFWSA-N -1 3 368.393 2.962 20 70 FFIDHM CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)CO2 ZINC000160261788 508961702 /nfs/dbraw/zinc/96/17/02/508961702.db2.gz STJLJEHHXVMIKK-CYBMUJFWSA-N -1 3 368.393 2.962 20 70 FFIDHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000160318484 508970201 /nfs/dbraw/zinc/97/02/01/508970201.db2.gz PKWXZEMITJKEMB-YPMHNXCESA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000160318484 508970203 /nfs/dbraw/zinc/97/02/03/508970203.db2.gz PKWXZEMITJKEMB-YPMHNXCESA-N -1 3 359.430 2.596 20 70 FFIDHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000160318484 508970206 /nfs/dbraw/zinc/97/02/06/508970206.db2.gz PKWXZEMITJKEMB-YPMHNXCESA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3nc(C4CCCC4)no3)[n-]2)o1 ZINC000160365846 508977095 /nfs/dbraw/zinc/97/70/95/508977095.db2.gz IZEKJLGBZUZGHN-UHFFFAOYSA-N -1 3 356.386 2.985 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3nc(C4CCCC4)no3)n2)o1 ZINC000160365846 508977099 /nfs/dbraw/zinc/97/70/99/508977099.db2.gz IZEKJLGBZUZGHN-UHFFFAOYSA-N -1 3 356.386 2.985 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCc3nc(C4CCCC4)no3)n[n-]2)o1 ZINC000160365846 508977100 /nfs/dbraw/zinc/97/71/00/508977100.db2.gz IZEKJLGBZUZGHN-UHFFFAOYSA-N -1 3 356.386 2.985 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)[n-]2)o1 ZINC000160396714 508980844 /nfs/dbraw/zinc/98/08/44/508980844.db2.gz DXJIEYHXDOMRKV-LLVKDONJSA-N -1 3 353.382 2.520 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)n2)o1 ZINC000160396714 508980846 /nfs/dbraw/zinc/98/08/46/508980846.db2.gz DXJIEYHXDOMRKV-LLVKDONJSA-N -1 3 353.382 2.520 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)n[n-]2)o1 ZINC000160396714 508980849 /nfs/dbraw/zinc/98/08/49/508980849.db2.gz DXJIEYHXDOMRKV-LLVKDONJSA-N -1 3 353.382 2.520 20 70 FFIDHM COc1cc(C(=O)NCCc2nc3ccccc3s2)cc(OC)c1[O-] ZINC000161097532 509070974 /nfs/dbraw/zinc/07/09/74/509070974.db2.gz NJSGYGFFWVKKPA-UHFFFAOYSA-N -1 3 358.419 2.992 20 70 FFIDHM COc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)c(Cl)c1Cl ZINC000161345875 509104531 /nfs/dbraw/zinc/10/45/31/509104531.db2.gz SFEWMPZCSRTRGQ-MGCOHNPYSA-N -1 3 368.282 2.831 20 70 FFIDHM CCc1c(C(=O)Nc2ccc(Br)cc2[O-])[nH]c(C)c1C(N)=O ZINC000161467816 509118618 /nfs/dbraw/zinc/11/86/18/509118618.db2.gz NMRHHQMQTZARAX-UHFFFAOYSA-N -1 3 366.215 2.705 20 70 FFIDHM CC[C@H](C(=O)Nc1ncccc1[O-])n1nnc(-c2ccc(Cl)cc2)n1 ZINC000218397009 509276567 /nfs/dbraw/zinc/27/65/67/509276567.db2.gz DZTRFROJXPHLEQ-GFCCVEGCSA-N -1 3 358.789 2.684 20 70 FFIDHM O=S(=O)([N-][C@H]1CCN(c2ccccn2)C1)c1cc(Cl)ccc1Cl ZINC000159370011 508832367 /nfs/dbraw/zinc/83/23/67/508832367.db2.gz MNHBSUDZJOWLLP-LBPRGKRZSA-N -1 3 372.277 2.946 20 70 FFIDHM CC[C@H](C)Oc1ccc(NC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000159725284 508880482 /nfs/dbraw/zinc/88/04/82/508880482.db2.gz QMVHMZWOBPCABH-SWLSCSKDSA-N -1 3 356.488 2.766 20 70 FFIDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2OCCc3ccccc32)c1 ZINC000160925672 509049095 /nfs/dbraw/zinc/04/90/95/509049095.db2.gz ZNWOVBUPTFQIPG-KRWDZBQOSA-N -1 3 360.435 2.619 20 70 FFIDHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000161069641 509067495 /nfs/dbraw/zinc/06/74/95/509067495.db2.gz YFZHGNYLIWYRME-GFCCVEGCSA-N -1 3 360.262 2.875 20 70 FFIDHM COc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000161267051 509094246 /nfs/dbraw/zinc/09/42/46/509094246.db2.gz SOARHDAGLZURAR-INIZCTEOSA-N -1 3 356.422 2.538 20 70 FFIDHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(Br)s1 ZINC000159566564 508859765 /nfs/dbraw/zinc/85/97/65/508859765.db2.gz INUFFSYYAHMGTP-SNVBAGLBSA-N -1 3 368.318 2.730 20 70 FFIDHM C[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000159811323 508894735 /nfs/dbraw/zinc/89/47/35/508894735.db2.gz IVMXPMWZUCNIIM-BZNIZROVSA-N -1 3 366.845 2.790 20 70 FFIDHM O=S(=O)([N-]CC1(O)CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000159815213 508895433 /nfs/dbraw/zinc/89/54/33/508895433.db2.gz LGHWPHKFFWDDRW-UHFFFAOYSA-N -1 3 355.353 2.818 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1nccs1 ZINC000159910855 508910191 /nfs/dbraw/zinc/91/01/91/508910191.db2.gz XNKLQAHBFNJJSV-JTQLQIEISA-N -1 3 374.871 2.997 20 70 FFIDHM Cc1cccc(OC[C@@H](O)C[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000159943830 508914936 /nfs/dbraw/zinc/91/49/36/508914936.db2.gz LBJRRWGWBYJFFL-ZDUSSCGKSA-N -1 3 373.833 2.506 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(OCC(F)(F)F)nc3)[n-]2)o1 ZINC000160237168 508958551 /nfs/dbraw/zinc/95/85/51/508958551.db2.gz YODIXSFQOWTEFL-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(OCC(F)(F)F)nc3)n2)o1 ZINC000160237168 508958552 /nfs/dbraw/zinc/95/85/52/508958552.db2.gz YODIXSFQOWTEFL-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(OCC(F)(F)F)nc3)n[n-]2)o1 ZINC000160237168 508958554 /nfs/dbraw/zinc/95/85/54/508958554.db2.gz YODIXSFQOWTEFL-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)[n-]2)o1 ZINC000160405585 508981903 /nfs/dbraw/zinc/98/19/03/508981903.db2.gz SCOYFZKPJNEQDX-OLZOCXBDSA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)o1 ZINC000160405585 508981907 /nfs/dbraw/zinc/98/19/07/508981907.db2.gz SCOYFZKPJNEQDX-OLZOCXBDSA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n[n-]2)o1 ZINC000160405585 508981909 /nfs/dbraw/zinc/98/19/09/508981909.db2.gz SCOYFZKPJNEQDX-OLZOCXBDSA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(Cl)c(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000160412539 508983738 /nfs/dbraw/zinc/98/37/38/508983738.db2.gz DNGVGFPVUNCMEV-UHFFFAOYSA-N -1 3 373.887 2.810 20 70 FFIDHM COc1ccc2c(c1)C[C@H](C(=O)Nc1nnc(-c3ccc(C)o3)[n-]1)CO2 ZINC000160439281 508987738 /nfs/dbraw/zinc/98/77/38/508987738.db2.gz BLCZXKWNFGCNEX-LBPRGKRZSA-N -1 3 354.366 2.572 20 70 FFIDHM COc1ccc2c(c1)C[C@H](C(=O)Nc1nc(-c3ccc(C)o3)n[n-]1)CO2 ZINC000160439281 508987741 /nfs/dbraw/zinc/98/77/41/508987741.db2.gz BLCZXKWNFGCNEX-LBPRGKRZSA-N -1 3 354.366 2.572 20 70 FFIDHM COc1ccc2c(c1)C[C@H](C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)CO2 ZINC000160439281 508987743 /nfs/dbraw/zinc/98/77/43/508987743.db2.gz BLCZXKWNFGCNEX-LBPRGKRZSA-N -1 3 354.366 2.572 20 70 FFIDHM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1ncccc1[O-])CC2 ZINC000160480720 508993023 /nfs/dbraw/zinc/99/30/23/508993023.db2.gz AUEDVKPELCOFRD-SECBINFHSA-N -1 3 352.316 2.648 20 70 FFIDHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)nn1-c1ccc(F)cc1F ZINC000160505611 508996404 /nfs/dbraw/zinc/99/64/04/508996404.db2.gz QIJOSPMQYZWOKY-UHFFFAOYSA-N -1 3 372.257 2.848 20 70 FFIDHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)nn1-c1ccc(F)cc1F ZINC000160505611 508996407 /nfs/dbraw/zinc/99/64/07/508996407.db2.gz QIJOSPMQYZWOKY-UHFFFAOYSA-N -1 3 372.257 2.848 20 70 FFIDHM COc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc(OC)c1[O-] ZINC000160976857 509055584 /nfs/dbraw/zinc/05/55/84/509055584.db2.gz GHSOSQASBBSSPK-LBPRGKRZSA-N -1 3 350.440 2.504 20 70 FFIDHM CCc1cc(=O)[n-]c(CN(Cc2cccc(OC)c2)C[C@@H]2CCCO2)n1 ZINC000161013266 509060042 /nfs/dbraw/zinc/06/00/42/509060042.db2.gz KOCRJMCTLOGIOU-SFHVURJKSA-N -1 3 357.454 2.934 20 70 FFIDHM Cc1nc(C)c(CC(=O)NC2(c3ccc(F)cc3F)CCCC2)c(=O)[n-]1 ZINC000161100729 509071033 /nfs/dbraw/zinc/07/10/33/509071033.db2.gz VUTRISBUTXQBDF-UHFFFAOYSA-N -1 3 361.392 2.793 20 70 FFIDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccncc1 ZINC000159557333 508859154 /nfs/dbraw/zinc/85/91/54/508859154.db2.gz SRMRMBSWLXTHCO-UHFFFAOYSA-N -1 3 362.432 2.561 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3ccc4c(c3)OCCO4)[n-]2)o1 ZINC000160285572 508964622 /nfs/dbraw/zinc/96/46/22/508964622.db2.gz LPPRFWVEUYAAAP-UHFFFAOYSA-N -1 3 354.366 2.716 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3ccc4c(c3)OCCO4)n2)o1 ZINC000160285572 508964625 /nfs/dbraw/zinc/96/46/25/508964625.db2.gz LPPRFWVEUYAAAP-UHFFFAOYSA-N -1 3 354.366 2.716 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCc3ccc4c(c3)OCCO4)n[n-]2)o1 ZINC000160285572 508964628 /nfs/dbraw/zinc/96/46/28/508964628.db2.gz LPPRFWVEUYAAAP-UHFFFAOYSA-N -1 3 354.366 2.716 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccn(-c4ccc(F)cc4)n3)[n-]2)o1 ZINC000160284289 508964757 /nfs/dbraw/zinc/96/47/57/508964757.db2.gz MHZJIZKRMSNONV-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccn(-c4ccc(F)cc4)n3)n2)o1 ZINC000160284289 508964761 /nfs/dbraw/zinc/96/47/61/508964761.db2.gz MHZJIZKRMSNONV-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccn(-c4ccc(F)cc4)n3)n[n-]2)o1 ZINC000160284289 508964766 /nfs/dbraw/zinc/96/47/66/508964766.db2.gz MHZJIZKRMSNONV-UHFFFAOYSA-N -1 3 352.329 2.950 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)[n-]2)o1 ZINC000160414379 508983970 /nfs/dbraw/zinc/98/39/70/508983970.db2.gz MBIMQWGOZCEBPU-UHFFFAOYSA-N -1 3 374.422 2.808 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)o1 ZINC000160414379 508983972 /nfs/dbraw/zinc/98/39/72/508983972.db2.gz MBIMQWGOZCEBPU-UHFFFAOYSA-N -1 3 374.422 2.808 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n[n-]2)o1 ZINC000160414379 508983976 /nfs/dbraw/zinc/98/39/76/508983976.db2.gz MBIMQWGOZCEBPU-UHFFFAOYSA-N -1 3 374.422 2.808 20 70 FFIDHM O=C(NCCCOc1ccc2ccccc2c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000160721436 509024532 /nfs/dbraw/zinc/02/45/32/509024532.db2.gz JFQXZDMWXGMHHL-UHFFFAOYSA-N -1 3 374.396 2.922 20 70 FFIDHM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000160804874 509034973 /nfs/dbraw/zinc/03/49/73/509034973.db2.gz ONQMUIUEQQQPKN-UHFFFAOYSA-N -1 3 371.455 2.955 20 70 FFIDHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000160807340 509035362 /nfs/dbraw/zinc/03/53/62/509035362.db2.gz ZBGNXFJPSDHPIR-UHFFFAOYSA-N -1 3 357.428 2.729 20 70 FFIDHM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)nn1 ZINC000161174216 509080915 /nfs/dbraw/zinc/08/09/15/509080915.db2.gz DRSBBDHDIJSTTO-UHFFFAOYSA-N -1 3 353.382 2.801 20 70 FFIDHM CCOc1ncccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161187963 509082949 /nfs/dbraw/zinc/08/29/49/509082949.db2.gz DGCZCIDZWWUFHC-UHFFFAOYSA-N -1 3 350.378 2.791 20 70 FFIDHM COc1cccc(CCC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000216739583 509264659 /nfs/dbraw/zinc/26/46/59/509264659.db2.gz JTYZYVLEOAZNAA-UHFFFAOYSA-N -1 3 372.387 2.545 20 70 FFIDHM Cc1ccc(I)cc1C(=O)Nc1ncccc1[O-] ZINC000159562253 508858902 /nfs/dbraw/zinc/85/89/02/508858902.db2.gz LFDPLRMKPOLCSW-UHFFFAOYSA-N -1 3 354.147 2.953 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](CCO)c3ccccc3)c[n-]c12 ZINC000159503334 508850884 /nfs/dbraw/zinc/85/08/84/508850884.db2.gz XRDLFZOTVNJQGG-KRWDZBQOSA-N -1 3 354.381 2.829 20 70 FFIDHM O=C(NCCCNC(=O)c1cccc(Cl)c1F)c1cccc([O-])c1 ZINC000159695120 508876585 /nfs/dbraw/zinc/87/65/85/508876585.db2.gz HBODDJUZWNBCCO-UHFFFAOYSA-N -1 3 350.777 2.735 20 70 FFIDHM COc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1OCCN(C)C ZINC000159738912 508883141 /nfs/dbraw/zinc/88/31/41/508883141.db2.gz IVOBSSNPCYGULU-UHFFFAOYSA-N -1 3 370.496 2.806 20 70 FFIDHM Cn1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)nc1Cl ZINC000159852803 508900826 /nfs/dbraw/zinc/90/08/26/508900826.db2.gz MHSTYJYQLOOOLF-GXTWGEPZSA-N -1 3 369.874 2.520 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1C)c1nccs1 ZINC000159961174 508917809 /nfs/dbraw/zinc/91/78/09/508917809.db2.gz NSDYQAAGYBNEAX-GFCCVEGCSA-N -1 3 354.453 2.668 20 70 FFIDHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCCc2sccc21 ZINC000159991205 508921841 /nfs/dbraw/zinc/92/18/41/508921841.db2.gz JGYXQRHPDSIELX-LBPRGKRZSA-N -1 3 370.521 2.672 20 70 FFIDHM O=C(CNC(=O)CC1CCCC1)Nc1ccc(Br)cc1[O-] ZINC000160139670 508944519 /nfs/dbraw/zinc/94/45/19/508944519.db2.gz QRAHABPNSOZIKK-UHFFFAOYSA-N -1 3 355.232 2.790 20 70 FFIDHM CCOc1ccc2c(c1)C[C@H](C(=O)Nc1nnc(-c3ccc(C)o3)[n-]1)CO2 ZINC000160261649 508961844 /nfs/dbraw/zinc/96/18/44/508961844.db2.gz STJLJEHHXVMIKK-ZDUSSCGKSA-N -1 3 368.393 2.962 20 70 FFIDHM CCOc1ccc2c(c1)C[C@H](C(=O)Nc1nc(-c3ccc(C)o3)n[n-]1)CO2 ZINC000160261649 508961845 /nfs/dbraw/zinc/96/18/45/508961845.db2.gz STJLJEHHXVMIKK-ZDUSSCGKSA-N -1 3 368.393 2.962 20 70 FFIDHM CCOc1ccc2c(c1)C[C@H](C(=O)Nc1n[n-]c(-c3ccc(C)o3)n1)CO2 ZINC000160261649 508961847 /nfs/dbraw/zinc/96/18/47/508961847.db2.gz STJLJEHHXVMIKK-ZDUSSCGKSA-N -1 3 368.393 2.962 20 70 FFIDHM COC(=O)c1cccc(CNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000160392205 508980535 /nfs/dbraw/zinc/98/05/35/508980535.db2.gz NOXCCZDGCUQAMY-UHFFFAOYSA-N -1 3 368.364 2.692 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)[n-]2)o1 ZINC000160405707 508982663 /nfs/dbraw/zinc/98/26/63/508982663.db2.gz SCOYFZKPJNEQDX-QWHCGFSZSA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)o1 ZINC000160405707 508982670 /nfs/dbraw/zinc/98/26/70/508982670.db2.gz SCOYFZKPJNEQDX-QWHCGFSZSA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)n[n-]2)o1 ZINC000160405707 508982673 /nfs/dbraw/zinc/98/26/73/508982673.db2.gz SCOYFZKPJNEQDX-QWHCGFSZSA-N -1 3 366.377 2.887 20 70 FFIDHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1F ZINC000160906714 509046759 /nfs/dbraw/zinc/04/67/59/509046759.db2.gz GIUWYQVLZIUMBF-UHFFFAOYSA-N -1 3 355.416 2.783 20 70 FFIDHM CC(C)C[C@@H]1CCCN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000160926723 509048930 /nfs/dbraw/zinc/04/89/30/509048930.db2.gz ORDLYAVAEYMFHN-XOBRGWDASA-N -1 3 357.454 2.640 20 70 FFIDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000161047746 509064482 /nfs/dbraw/zinc/06/44/82/509064482.db2.gz IETWMRNIYXRDEN-UHFFFAOYSA-N -1 3 359.856 2.853 20 70 FFIDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000161066809 509066386 /nfs/dbraw/zinc/06/63/86/509066386.db2.gz BRQPGSOVDJZVQW-UHFFFAOYSA-N -1 3 373.883 2.994 20 70 FFIDHM C[C@@]1(c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000161221303 509087954 /nfs/dbraw/zinc/08/79/54/509087954.db2.gz UFRJAQGGLHGQPN-KRWDZBQOSA-N -1 3 361.760 2.786 20 70 FFIDHM O=C(Cc1ccc(Cl)cc1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216738830 509263785 /nfs/dbraw/zinc/26/37/85/509263785.db2.gz IHIACUBCJQQGJO-UHFFFAOYSA-N -1 3 362.779 2.800 20 70 FFIDHM CCOC(=O)c1ccc(NC(=O)c2ccncc2Br)c([O-])c1 ZINC000159781664 508890355 /nfs/dbraw/zinc/89/03/55/508890355.db2.gz TUPKOSVJHRVRCB-UHFFFAOYSA-N -1 3 365.183 2.979 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1)c1nccs1 ZINC000159972359 508919233 /nfs/dbraw/zinc/91/92/33/508919233.db2.gz DREXIMZGVRLERX-GFCCVEGCSA-N -1 3 357.432 2.670 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccco4)[nH]c3=O)[n-]2)o1 ZINC000160301671 508967112 /nfs/dbraw/zinc/96/71/12/508967112.db2.gz XVRWGZFCJMSTBN-UHFFFAOYSA-N -1 3 351.322 2.574 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-c4ccco4)[nH]c3=O)n2)o1 ZINC000160301671 508967113 /nfs/dbraw/zinc/96/71/13/508967113.db2.gz XVRWGZFCJMSTBN-UHFFFAOYSA-N -1 3 351.322 2.574 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4ccco4)[nH]c3=O)n[n-]2)o1 ZINC000160301671 508967114 /nfs/dbraw/zinc/96/71/14/508967114.db2.gz XVRWGZFCJMSTBN-UHFFFAOYSA-N -1 3 351.322 2.574 20 70 FFIDHM CC(=O)N[C@H](CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccccc1 ZINC000160307816 508968006 /nfs/dbraw/zinc/96/80/06/508968006.db2.gz YEIACCQKLHBKIT-CQSZACIVSA-N -1 3 353.382 2.579 20 70 FFIDHM CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000160307816 508968007 /nfs/dbraw/zinc/96/80/07/508968007.db2.gz YEIACCQKLHBKIT-CQSZACIVSA-N -1 3 353.382 2.579 20 70 FFIDHM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000160307816 508968009 /nfs/dbraw/zinc/96/80/09/508968009.db2.gz YEIACCQKLHBKIT-CQSZACIVSA-N -1 3 353.382 2.579 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCN3C(=O)CCc4ccccc43)[n-]2)o1 ZINC000160367671 508976852 /nfs/dbraw/zinc/97/68/52/508976852.db2.gz UFPHUPQHWGJNNO-UHFFFAOYSA-N -1 3 365.393 2.681 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCN3C(=O)CCc4ccccc43)n2)o1 ZINC000160367671 508976857 /nfs/dbraw/zinc/97/68/57/508976857.db2.gz UFPHUPQHWGJNNO-UHFFFAOYSA-N -1 3 365.393 2.681 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCN3C(=O)CCc4ccccc43)n[n-]2)o1 ZINC000160367671 508976859 /nfs/dbraw/zinc/97/68/59/508976859.db2.gz UFPHUPQHWGJNNO-UHFFFAOYSA-N -1 3 365.393 2.681 20 70 FFIDHM CCc1noc(C)c1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000160367416 508977012 /nfs/dbraw/zinc/97/70/12/508977012.db2.gz OIHMJGAGFKVQKK-UHFFFAOYSA-N -1 3 352.460 2.760 20 70 FFIDHM CCc1noc(C)c1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000160367416 508977016 /nfs/dbraw/zinc/97/70/16/508977016.db2.gz OIHMJGAGFKVQKK-UHFFFAOYSA-N -1 3 352.460 2.760 20 70 FFIDHM Cc1ccc(C(=O)CCN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000160592194 509007645 /nfs/dbraw/zinc/00/76/45/509007645.db2.gz PRBIOSMMFUPTHM-UHFFFAOYSA-N -1 3 352.434 2.731 20 70 FFIDHM CC(C)C[C@H]1CCCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000160926592 509048942 /nfs/dbraw/zinc/04/89/42/509048942.db2.gz ORDLYAVAEYMFHN-JLTOFOAXSA-N -1 3 357.454 2.640 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)n1 ZINC000160949853 509051842 /nfs/dbraw/zinc/05/18/42/509051842.db2.gz GYCGVACMAPBHTE-INIZCTEOSA-N -1 3 351.410 2.736 20 70 FFIDHM Cc1[nH]c2ccccc2c1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000161020076 509060901 /nfs/dbraw/zinc/06/09/01/509060901.db2.gz QJJZGJNDBDJUOB-UHFFFAOYSA-N -1 3 363.417 2.780 20 70 FFIDHM C[C@]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)(C(N)=O)c1ccccc1 ZINC000161228471 509088817 /nfs/dbraw/zinc/08/88/17/509088817.db2.gz RLOICYXNVVSVDH-OAHLLOKOSA-N -1 3 373.261 2.672 20 70 FFIDHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000159529462 508853844 /nfs/dbraw/zinc/85/38/44/508853844.db2.gz DJURLFLGXMHRAG-CYBMUJFWSA-N -1 3 351.390 2.925 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)o1)c1ccc(F)cc1F ZINC000159624639 508867628 /nfs/dbraw/zinc/86/76/28/508867628.db2.gz CKSXZZCKJRCQHJ-GFCCVEGCSA-N -1 3 359.350 2.774 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)[n-]2)o1 ZINC000160199693 508952628 /nfs/dbraw/zinc/95/26/28/508952628.db2.gz XUJQMXAFIIPKRX-UHFFFAOYSA-N -1 3 366.381 2.909 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(NC(=O)NC4CC4)c3)n2)o1 ZINC000160199693 508952632 /nfs/dbraw/zinc/95/26/32/508952632.db2.gz XUJQMXAFIIPKRX-UHFFFAOYSA-N -1 3 366.381 2.909 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)n[n-]2)o1 ZINC000160199693 508952636 /nfs/dbraw/zinc/95/26/36/508952636.db2.gz XUJQMXAFIIPKRX-UHFFFAOYSA-N -1 3 366.381 2.909 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)C3CCN(CC(F)(F)F)CC3)[n-]2)o1 ZINC000160218739 508956181 /nfs/dbraw/zinc/95/61/81/508956181.db2.gz RUHXNQOEPYJQRF-UHFFFAOYSA-N -1 3 357.336 2.586 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCN(CC(F)(F)F)CC3)n2)o1 ZINC000160218739 508956184 /nfs/dbraw/zinc/95/61/84/508956184.db2.gz RUHXNQOEPYJQRF-UHFFFAOYSA-N -1 3 357.336 2.586 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)C3CCN(CC(F)(F)F)CC3)n[n-]2)o1 ZINC000160218739 508956187 /nfs/dbraw/zinc/95/61/87/508956187.db2.gz RUHXNQOEPYJQRF-UHFFFAOYSA-N -1 3 357.336 2.586 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3nc(-c4ccoc4)no3)[n-]2)o1 ZINC000160332544 508971741 /nfs/dbraw/zinc/97/17/41/508971741.db2.gz JIPLMSNUJXYYQW-UHFFFAOYSA-N -1 3 354.326 2.587 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3nc(-c4ccoc4)no3)n2)o1 ZINC000160332544 508971742 /nfs/dbraw/zinc/97/17/42/508971742.db2.gz JIPLMSNUJXYYQW-UHFFFAOYSA-N -1 3 354.326 2.587 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCc3nc(-c4ccoc4)no3)n[n-]2)o1 ZINC000160332544 508971743 /nfs/dbraw/zinc/97/17/43/508971743.db2.gz JIPLMSNUJXYYQW-UHFFFAOYSA-N -1 3 354.326 2.587 20 70 FFIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(OC)c(OC(F)F)c2)n1 ZINC000160794567 509034256 /nfs/dbraw/zinc/03/42/56/509034256.db2.gz SXCNZBNCYOWHHX-UHFFFAOYSA-N -1 3 353.369 2.987 20 70 FFIDHM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)c1 ZINC000160856975 509040835 /nfs/dbraw/zinc/04/08/35/509040835.db2.gz NLGOPVVAQVVIPP-UHFFFAOYSA-N -1 3 367.793 2.564 20 70 FFIDHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000161028842 509061656 /nfs/dbraw/zinc/06/16/56/509061656.db2.gz MWEVMYGQZFGILO-CYBMUJFWSA-N -1 3 359.369 2.587 20 70 FFIDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)s1 ZINC000159686151 508875757 /nfs/dbraw/zinc/87/57/57/508875757.db2.gz FDJHBDATVXERIR-CYBMUJFWSA-N -1 3 366.508 2.775 20 70 FFIDHM Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])CO2 ZINC000160133201 508943578 /nfs/dbraw/zinc/94/35/78/508943578.db2.gz QDWXNBSAMAJYCG-IRXDYDNUSA-N -1 3 366.417 2.555 20 70 FFIDHM CC(C)C[C@@H]1CCCCN1C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000160410376 508982642 /nfs/dbraw/zinc/98/26/42/508982642.db2.gz FKWQVIWAXSMZQE-OXJNMPFZSA-N -1 3 357.454 2.782 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](CCO)c3ccccc3)c[n-]c12 ZINC000159503466 508850960 /nfs/dbraw/zinc/85/09/60/508850960.db2.gz XRDLFZOTVNJQGG-QGZVFWFLSA-N -1 3 354.381 2.829 20 70 FFIDHM COc1ccccc1N1CC[C@H](NC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159523401 508853078 /nfs/dbraw/zinc/85/30/78/508853078.db2.gz FJRVXMCBVBIZPT-AWEZNQCLSA-N -1 3 360.841 2.992 20 70 FFIDHM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000159561601 508859219 /nfs/dbraw/zinc/85/92/19/508859219.db2.gz PARRRUOOMCMGNS-OAHLLOKOSA-N -1 3 352.862 2.763 20 70 FFIDHM Cn1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)nc1Cl ZINC000159852928 508901122 /nfs/dbraw/zinc/90/11/22/508901122.db2.gz MHSTYJYQLOOOLF-OCCSQVGLSA-N -1 3 369.874 2.520 20 70 FFIDHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000159976959 508919919 /nfs/dbraw/zinc/91/99/19/508919919.db2.gz QENWZWDSFPUWTL-UHFFFAOYSA-N -1 3 368.477 2.749 20 70 FFIDHM COc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc(OC)c1[O-] ZINC000160000846 508923702 /nfs/dbraw/zinc/92/37/02/508923702.db2.gz VOIKUZLQTVXISG-UHFFFAOYSA-N -1 3 362.470 2.746 20 70 FFIDHM Cc1nn2c(nnc2SCc2cccc(Br)c2C)[n-]c1=O ZINC000160134198 508943560 /nfs/dbraw/zinc/94/35/60/508943560.db2.gz QKPFEIDZWOJBRV-UHFFFAOYSA-N -1 3 366.244 2.897 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3sc(-c4cnn(C)c4)nc3C)[n-]2)o1 ZINC000160262812 508961950 /nfs/dbraw/zinc/96/19/50/508961950.db2.gz GHAXDGJLXIWETE-UHFFFAOYSA-N -1 3 369.410 2.791 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3sc(-c4cnn(C)c4)nc3C)n2)o1 ZINC000160262812 508961952 /nfs/dbraw/zinc/96/19/52/508961952.db2.gz GHAXDGJLXIWETE-UHFFFAOYSA-N -1 3 369.410 2.791 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3sc(-c4cnn(C)c4)nc3C)n[n-]2)o1 ZINC000160262812 508961954 /nfs/dbraw/zinc/96/19/54/508961954.db2.gz GHAXDGJLXIWETE-UHFFFAOYSA-N -1 3 369.410 2.791 20 70 FFIDHM CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000160291421 508965737 /nfs/dbraw/zinc/96/57/37/508965737.db2.gz RFTNHFPSMDNXLZ-SECBINFHSA-N -1 3 356.669 2.806 20 70 FFIDHM CC(=O)CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160411533 508983187 /nfs/dbraw/zinc/98/31/87/508983187.db2.gz AXGWPSYYZJGBRU-UHFFFAOYSA-N -1 3 368.393 2.912 20 70 FFIDHM CC(=O)CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160411533 508983191 /nfs/dbraw/zinc/98/31/91/508983191.db2.gz AXGWPSYYZJGBRU-UHFFFAOYSA-N -1 3 368.393 2.912 20 70 FFIDHM CC(=O)CCc1ccc(OCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160411533 508983195 /nfs/dbraw/zinc/98/31/95/508983195.db2.gz AXGWPSYYZJGBRU-UHFFFAOYSA-N -1 3 368.393 2.912 20 70 FFIDHM O=C(c1ccc([O-])cc1)N1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000161397947 509111533 /nfs/dbraw/zinc/11/15/33/509111533.db2.gz SOOWSRYMTCRYIU-UHFFFAOYSA-N -1 3 360.841 2.882 20 70 FFIDHM O=C(Cc1cccc(Cl)c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000216738578 509264480 /nfs/dbraw/zinc/26/44/80/509264480.db2.gz AFCYEAKFDLFKMH-UHFFFAOYSA-N -1 3 362.779 2.800 20 70 FFIDHM CC(C)OC(=O)CCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000159854417 508900858 /nfs/dbraw/zinc/90/08/58/508900858.db2.gz QJHMWOFGEQTHGC-UHFFFAOYSA-N -1 3 373.247 2.686 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)OC)c1)c1nccs1 ZINC000159943727 508914983 /nfs/dbraw/zinc/91/49/83/508914983.db2.gz MHMAQMJWRITXFZ-CYBMUJFWSA-N -1 3 354.453 2.500 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)OC)c1C)c1nccs1 ZINC000159963308 508918147 /nfs/dbraw/zinc/91/81/47/508918147.db2.gz FESMPWAOSGIDHP-GFCCVEGCSA-N -1 3 354.453 2.668 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1nccs1 ZINC000159988286 508921384 /nfs/dbraw/zinc/92/13/84/508921384.db2.gz AAHAZTPMGSOHKX-OAHLLOKOSA-N -1 3 362.480 2.818 20 70 FFIDHM Cc1cccc([C@H](NC(=O)Cc2c(C)nc(C)[n-]c2=O)c2ccccn2)c1 ZINC000160042294 508928860 /nfs/dbraw/zinc/92/88/60/508928860.db2.gz WCVKYIJKENUKKP-FQEVSTJZSA-N -1 3 362.433 2.538 20 70 FFIDHM COc1cccc(Cl)c1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160084262 508935709 /nfs/dbraw/zinc/93/57/09/508935709.db2.gz BLQDNNPUBULIKI-UHFFFAOYSA-N -1 3 374.824 2.652 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)[n-]2)o1 ZINC000160336837 508972789 /nfs/dbraw/zinc/97/27/89/508972789.db2.gz VWQMJGWSJSVVJK-GFCCVEGCSA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)o1 ZINC000160336837 508972791 /nfs/dbraw/zinc/97/27/91/508972791.db2.gz VWQMJGWSJSVVJK-GFCCVEGCSA-N -1 3 359.430 2.596 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)n[n-]2)o1 ZINC000160336837 508972796 /nfs/dbraw/zinc/97/27/96/508972796.db2.gz VWQMJGWSJSVVJK-GFCCVEGCSA-N -1 3 359.430 2.596 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)n1 ZINC000160780825 509032028 /nfs/dbraw/zinc/03/20/28/509032028.db2.gz LXBXSEBSYWKEEO-QGZVFWFLSA-N -1 3 369.469 2.921 20 70 FFIDHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000160820526 509036429 /nfs/dbraw/zinc/03/64/29/509036429.db2.gz XOVDSMKWYVBHGT-UHFFFAOYSA-N -1 3 357.428 2.647 20 70 FFIDHM O=C(c1ccc2n[n-]nc2c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000161281079 509096863 /nfs/dbraw/zinc/09/68/63/509096863.db2.gz UQGQOPUEOCFOMD-UHFFFAOYSA-N -1 3 355.829 2.569 20 70 FFIDHM O=S(=O)([N-]CCSCCCO)c1cc2cc(Cl)ccc2s1 ZINC000161339508 509103480 /nfs/dbraw/zinc/10/34/80/509103480.db2.gz WJCVIHFUBNKIHO-UHFFFAOYSA-N -1 3 365.929 2.949 20 70 FFIDHM C[C@]1(c2cccc(C(=O)N3CCC[C@@H]3c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000161452629 509117508 /nfs/dbraw/zinc/11/75/08/509117508.db2.gz YZUARALVHUVHPZ-DYESRHJHSA-N -1 3 363.417 2.719 20 70 FFIDHM O=C(Cc1ccc([O-])cc1Cl)N1CCN(Cc2cccs2)CC1 ZINC000159538282 508854276 /nfs/dbraw/zinc/85/42/76/508854276.db2.gz SAGSIJZBWDVYCO-UHFFFAOYSA-N -1 3 350.871 2.994 20 70 FFIDHM O=C1[C@H](Sc2n[n-]c(-c3ccccn3)n2)CCCN1CC(F)(F)F ZINC000159818361 508895379 /nfs/dbraw/zinc/89/53/79/508895379.db2.gz WQMGFCVKKBUYNS-SNVBAGLBSA-N -1 3 357.361 2.512 20 70 FFIDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000159830413 508897713 /nfs/dbraw/zinc/89/77/13/508897713.db2.gz WWQSZVOXONRSOI-MRVPVSSYSA-N -1 3 352.441 2.927 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)CC3CCCCC3)[n-]2)o1 ZINC000160351772 508974970 /nfs/dbraw/zinc/97/49/70/508974970.db2.gz CNDZIFUYKWRGDI-GFCCVEGCSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)NC(=O)CC3CCCCC3)n2)o1 ZINC000160351772 508974974 /nfs/dbraw/zinc/97/49/74/508974974.db2.gz CNDZIFUYKWRGDI-GFCCVEGCSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)NC(=O)CC3CCCCC3)n[n-]2)o1 ZINC000160351772 508974977 /nfs/dbraw/zinc/97/49/77/508974977.db2.gz CNDZIFUYKWRGDI-GFCCVEGCSA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1cc(C)n(CCCNC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000161118905 509074079 /nfs/dbraw/zinc/07/40/79/509074079.db2.gz QEHKJGPBCNTQTB-UHFFFAOYSA-N -1 3 356.401 2.609 20 70 FFIDHM CC(C)Oc1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccn1 ZINC000161220023 509087457 /nfs/dbraw/zinc/08/74/57/509087457.db2.gz SMMSZOKIXRCEFW-UHFFFAOYSA-N -1 3 360.357 2.765 20 70 FFIDHM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000161463253 509118269 /nfs/dbraw/zinc/11/82/69/509118269.db2.gz UGIHBDSRLXFLQB-UHFFFAOYSA-N -1 3 369.347 2.852 20 70 FFIDHM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000161463253 509118274 /nfs/dbraw/zinc/11/82/74/509118274.db2.gz UGIHBDSRLXFLQB-UHFFFAOYSA-N -1 3 369.347 2.852 20 70 FFIDHM C[C@@]1(c2cccc(C(=O)Nc3cnc4ccccc4c3)c2)NC(=O)[N-]C1=O ZINC000161485915 509121221 /nfs/dbraw/zinc/12/12/21/509121221.db2.gz ZZWLAVLXRSAXAU-FQEVSTJZSA-N -1 3 360.373 2.542 20 70 FFIDHM COc1cccc([C@@H](CNC(=O)c2cc(OC)ccc2[O-])N2CCCC2)c1 ZINC000218525236 509278571 /nfs/dbraw/zinc/27/85/71/509278571.db2.gz PTQHIWCMHBDAIE-LJQANCHMSA-N -1 3 370.449 2.976 20 70 FFIDHM Cc1cc(C(=O)Nc2nnc(SCCO)[n-]2)c(C)cc1Br ZINC000160195664 508952598 /nfs/dbraw/zinc/95/25/98/508952598.db2.gz JCYWEVXAQGDWOQ-UHFFFAOYSA-N -1 3 371.260 2.521 20 70 FFIDHM Cc1cc(C(=O)Nc2nc(SCCO)n[n-]2)c(C)cc1Br ZINC000160195664 508952605 /nfs/dbraw/zinc/95/26/05/508952605.db2.gz JCYWEVXAQGDWOQ-UHFFFAOYSA-N -1 3 371.260 2.521 20 70 FFIDHM Cc1cc(C(=O)Nc2n[n-]c(SCCO)n2)c(C)cc1Br ZINC000160195664 508952610 /nfs/dbraw/zinc/95/26/10/508952610.db2.gz JCYWEVXAQGDWOQ-UHFFFAOYSA-N -1 3 371.260 2.521 20 70 FFIDHM CC(C)CC1(CNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCC1 ZINC000159404723 508837661 /nfs/dbraw/zinc/83/76/61/508837661.db2.gz MBOGOGJMFCPKIA-IBGZPJMESA-N -1 3 357.454 2.687 20 70 FFIDHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(Br)s1 ZINC000159566432 508859460 /nfs/dbraw/zinc/85/94/60/508859460.db2.gz INUFFSYYAHMGTP-JTQLQIEISA-N -1 3 368.318 2.730 20 70 FFIDHM C[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000159811034 508894650 /nfs/dbraw/zinc/89/46/50/508894650.db2.gz IVMXPMWZUCNIIM-BDJLRTHQSA-N -1 3 366.845 2.790 20 70 FFIDHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@@H]1CCC[C@@H]1O ZINC000159863192 508902333 /nfs/dbraw/zinc/90/23/33/508902333.db2.gz ISAISHXMXUHWPX-AAEUAGOBSA-N -1 3 359.451 2.837 20 70 FFIDHM O=C(Nc1cn[nH]c1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000160127568 508942952 /nfs/dbraw/zinc/94/29/52/508942952.db2.gz HHKWPWFFKADVNO-UHFFFAOYSA-N -1 3 368.484 2.725 20 70 FFIDHM COc1ccc(C(=O)CCC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160301803 508967326 /nfs/dbraw/zinc/96/73/26/508967326.db2.gz COXOTFZFDLIXBG-UHFFFAOYSA-N -1 3 354.366 2.983 20 70 FFIDHM COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160301803 508967329 /nfs/dbraw/zinc/96/73/29/508967329.db2.gz COXOTFZFDLIXBG-UHFFFAOYSA-N -1 3 354.366 2.983 20 70 FFIDHM COc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160301803 508967334 /nfs/dbraw/zinc/96/73/34/508967334.db2.gz COXOTFZFDLIXBG-UHFFFAOYSA-N -1 3 354.366 2.983 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCN(c4cccs4)CC3)c[n-]c12 ZINC000160377923 508978603 /nfs/dbraw/zinc/97/86/03/508978603.db2.gz MOQMFDIKZYNFBZ-UHFFFAOYSA-N -1 3 371.437 3.000 20 70 FFIDHM O=C([N-]OCc1cccnc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000160784213 509032641 /nfs/dbraw/zinc/03/26/41/509032641.db2.gz QJLPDIFNTFJSFQ-INIZCTEOSA-N -1 3 373.840 2.835 20 70 FFIDHM O=C(NCC[N-]S(=O)(=O)c1cccs1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000160945961 509051791 /nfs/dbraw/zinc/05/17/91/509051791.db2.gz FYDLCHXQFMAEJX-RRFJBIMHSA-N -1 3 370.540 2.749 20 70 FFIDHM Cc1nn(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)c1Cl ZINC000161166200 509079890 /nfs/dbraw/zinc/07/98/90/509079890.db2.gz CQILDPHUMARPBA-UHFFFAOYSA-N -1 3 371.828 2.851 20 70 FFIDHM COc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc(OC)c1[O-] ZINC000161184788 509082458 /nfs/dbraw/zinc/08/24/58/509082458.db2.gz FNTUKPVNFFQMPL-UHFFFAOYSA-N -1 3 370.449 2.758 20 70 FFIDHM C[C@@]1(c2cccc(C(=O)N3CCC[C@H]3c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000161452768 509117134 /nfs/dbraw/zinc/11/71/34/509117134.db2.gz YZUARALVHUVHPZ-UWJYYQICSA-N -1 3 363.417 2.719 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3ccc4c(c3)OCO4)c[n-]c12 ZINC000159667753 508873726 /nfs/dbraw/zinc/87/37/26/508873726.db2.gz MGYPGMTYMZUOCW-UHFFFAOYSA-N -1 3 368.364 2.677 20 70 FFIDHM O=C(NCCCC(=O)N1CCc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000159688077 508876027 /nfs/dbraw/zinc/87/60/27/508876027.db2.gz HABGSKIXOCSKOU-UHFFFAOYSA-N -1 3 371.412 2.700 20 70 FFIDHM C[C@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)O1 ZINC000159811166 508894790 /nfs/dbraw/zinc/89/47/90/508894790.db2.gz IVMXPMWZUCNIIM-MEDUHNTESA-N -1 3 366.845 2.790 20 70 FFIDHM CCC(O)(CC)C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000160225170 508956539 /nfs/dbraw/zinc/95/65/39/508956539.db2.gz FWCZIROMVLRNGO-UHFFFAOYSA-N -1 3 356.271 2.831 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H](C)NC(=O)C3CCCCC3)[n-]2)o1 ZINC000160247362 508960279 /nfs/dbraw/zinc/96/02/79/508960279.db2.gz XGOVOANNFVZZSQ-NSHDSACASA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H](C)NC(=O)C3CCCCC3)n2)o1 ZINC000160247362 508960282 /nfs/dbraw/zinc/96/02/82/508960282.db2.gz XGOVOANNFVZZSQ-NSHDSACASA-N -1 3 359.430 2.787 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)NC(=O)C3CCCCC3)n[n-]2)o1 ZINC000160247362 508960284 /nfs/dbraw/zinc/96/02/84/508960284.db2.gz XGOVOANNFVZZSQ-NSHDSACASA-N -1 3 359.430 2.787 20 70 FFIDHM CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000160291285 508965937 /nfs/dbraw/zinc/96/59/37/508965937.db2.gz RFTNHFPSMDNXLZ-VIFPVBQESA-N -1 3 356.669 2.806 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(N4CCCC4=O)ccc3F)[n-]2)o1 ZINC000160350545 508974332 /nfs/dbraw/zinc/97/43/32/508974332.db2.gz YUJZQLIUROXSHF-UHFFFAOYSA-N -1 3 369.356 2.891 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(N4CCCC4=O)ccc3F)n2)o1 ZINC000160350545 508974335 /nfs/dbraw/zinc/97/43/35/508974335.db2.gz YUJZQLIUROXSHF-UHFFFAOYSA-N -1 3 369.356 2.891 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(N4CCCC4=O)ccc3F)n[n-]2)o1 ZINC000160350545 508974337 /nfs/dbraw/zinc/97/43/37/508974337.db2.gz YUJZQLIUROXSHF-UHFFFAOYSA-N -1 3 369.356 2.891 20 70 FFIDHM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)n2)cc1 ZINC000160452753 508989148 /nfs/dbraw/zinc/98/91/48/508989148.db2.gz ICJHVGMYNYSEFC-IYBDPMFKSA-N -1 3 354.454 2.668 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc4c3OCCO4)cc2)n1 ZINC000161143204 509077070 /nfs/dbraw/zinc/07/70/70/509077070.db2.gz AVJIFBMMSKUXOY-UHFFFAOYSA-N -1 3 363.373 2.769 20 70 FFIDHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000161187192 509082532 /nfs/dbraw/zinc/08/25/32/509082532.db2.gz JKNXOHMDCKTFLD-UHFFFAOYSA-N -1 3 369.402 2.846 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([S@](C)=O)cc3)cc2)n1 ZINC000161189806 509083339 /nfs/dbraw/zinc/08/33/39/509083339.db2.gz ZSEABRWVKNNLMY-AREMUKBSSA-N -1 3 367.430 2.735 20 70 FFIDHM CNC(=O)c1ccc(CN(C)C(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC000161413455 509113249 /nfs/dbraw/zinc/11/32/49/509113249.db2.gz XMCNGEYQZKQZFF-UHFFFAOYSA-N -1 3 363.417 2.881 20 70 FFIDHM C[C@]1(c2cccc(C(=O)Nc3cnc4ccccc4c3)c2)NC(=O)[N-]C1=O ZINC000161486035 509121292 /nfs/dbraw/zinc/12/12/92/509121292.db2.gz ZZWLAVLXRSAXAU-HXUWFJFHSA-N -1 3 360.373 2.542 20 70 FFIDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)s1 ZINC000159656926 508872089 /nfs/dbraw/zinc/87/20/89/508872089.db2.gz QSOBPLPDRDUDHW-SECBINFHSA-N -1 3 359.494 2.814 20 70 FFIDHM O=S(=O)([N-]Cc1ccc(OCC2CC2)nc1)c1cc(F)cc(F)c1 ZINC000159769527 508888090 /nfs/dbraw/zinc/88/80/90/508888090.db2.gz HEBCRUDJQQLCEG-UHFFFAOYSA-N -1 3 354.378 2.627 20 70 FFIDHM O=C1[N-]C(=O)C(=CNCc2nnc(-c3ccccc3)s2)c2ccccc21 ZINC000159851264 508901022 /nfs/dbraw/zinc/90/10/22/508901022.db2.gz DLORZNIBLTTZHS-XNTDXEJSSA-N -1 3 362.414 2.606 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nccs1 ZINC000159917842 508910728 /nfs/dbraw/zinc/91/07/28/508910728.db2.gz XQILDVUMHVGYOA-CQSZACIVSA-N -1 3 365.480 2.700 20 70 FFIDHM O=C(c1cc(Cl)c(Cl)[nH]1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160322519 508970035 /nfs/dbraw/zinc/97/00/35/508970035.db2.gz CPBDHUAIIQLGSI-UHFFFAOYSA-N -1 3 368.220 2.625 20 70 FFIDHM CC(C)(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160376888 508978897 /nfs/dbraw/zinc/97/88/97/508978897.db2.gz JBOLIOKOATXFAV-UHFFFAOYSA-N -1 3 366.461 2.946 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)[n-]2)o1 ZINC000160405460 508982184 /nfs/dbraw/zinc/98/21/84/508982184.db2.gz SCOYFZKPJNEQDX-CHWSQXEVSA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)o1 ZINC000160405460 508982187 /nfs/dbraw/zinc/98/21/87/508982187.db2.gz SCOYFZKPJNEQDX-CHWSQXEVSA-N -1 3 366.377 2.887 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n[n-]2)o1 ZINC000160405460 508982190 /nfs/dbraw/zinc/98/21/90/508982190.db2.gz SCOYFZKPJNEQDX-CHWSQXEVSA-N -1 3 366.377 2.887 20 70 FFIDHM COc1ccccc1-c1nc(NC(=O)c2ccc(N(C)C)cc2F)n[n-]1 ZINC000160540840 509000347 /nfs/dbraw/zinc/00/03/47/509000347.db2.gz RDQVVXQSFBUFFS-UHFFFAOYSA-N -1 3 355.373 2.938 20 70 FFIDHM Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1 ZINC000160576136 509005294 /nfs/dbraw/zinc/00/52/94/509005294.db2.gz MYVRMWNPGJHNTF-HNNXBMFYSA-N -1 3 370.449 2.616 20 70 FFIDHM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2nc(CC)cc(=O)[n-]2)cc1 ZINC000160983876 509056596 /nfs/dbraw/zinc/05/65/96/509056596.db2.gz VDPXQLKAKHJYKN-CQSZACIVSA-N -1 3 356.470 2.746 20 70 FFIDHM CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c1 ZINC000160992297 509057109 /nfs/dbraw/zinc/05/71/09/509057109.db2.gz RFPGMVHGKPVCIZ-UHFFFAOYSA-N -1 3 351.325 2.896 20 70 FFIDHM Cc1nc(CN2CCN(C(=O)Cc3ccc([O-])cc3Cl)CC2)cs1 ZINC000161340475 509104246 /nfs/dbraw/zinc/10/42/46/509104246.db2.gz KUYSTQCKVVSMNE-UHFFFAOYSA-N -1 3 365.886 2.697 20 70 FFIDHM C[C@@]1(c2cccc(C(=O)N3CCC[C@@H]3c3ccccc3)c2)NC(=O)[N-]C1=O ZINC000161452510 509117403 /nfs/dbraw/zinc/11/74/03/509117403.db2.gz YZUARALVHUVHPZ-UTKZUKDTSA-N -1 3 363.417 2.719 20 70 FFIDHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)c1 ZINC000159767085 508887908 /nfs/dbraw/zinc/88/79/08/508887908.db2.gz VEXCEBKSSMAGKE-UHFFFAOYSA-N -1 3 350.415 2.796 20 70 FFIDHM CC[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(C)noc1C ZINC000160134639 508943538 /nfs/dbraw/zinc/94/35/38/508943538.db2.gz PLRMGEPFXJMFEX-ZDUSSCGKSA-N -1 3 369.418 2.683 20 70 FFIDHM Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])CO2 ZINC000160133328 508943811 /nfs/dbraw/zinc/94/38/11/508943811.db2.gz QDWXNBSAMAJYCG-IAGOWNOFSA-N -1 3 366.417 2.555 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCc3nc(-c4ccco4)no3)[n-]2)o1 ZINC000160200374 508953844 /nfs/dbraw/zinc/95/38/44/508953844.db2.gz QIDAYDIZDDQORE-UHFFFAOYSA-N -1 3 354.326 2.587 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCc3nc(-c4ccco4)no3)n2)o1 ZINC000160200374 508953847 /nfs/dbraw/zinc/95/38/47/508953847.db2.gz QIDAYDIZDDQORE-UHFFFAOYSA-N -1 3 354.326 2.587 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCc3nc(-c4ccco4)no3)n[n-]2)o1 ZINC000160200374 508953848 /nfs/dbraw/zinc/95/38/48/508953848.db2.gz QIDAYDIZDDQORE-UHFFFAOYSA-N -1 3 354.326 2.587 20 70 FFIDHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1F ZINC000160734314 509025746 /nfs/dbraw/zinc/02/57/46/509025746.db2.gz ZUGVBCCPFKWWAD-UHFFFAOYSA-N -1 3 363.370 2.606 20 70 FFIDHM CS(=O)(=O)Cc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1F ZINC000160734314 509025750 /nfs/dbraw/zinc/02/57/50/509025750.db2.gz ZUGVBCCPFKWWAD-UHFFFAOYSA-N -1 3 363.370 2.606 20 70 FFIDHM O=C(Cc1cccc(Br)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000160902204 509046151 /nfs/dbraw/zinc/04/61/51/509046151.db2.gz XFHRYUXUONIDFS-UHFFFAOYSA-N -1 3 358.199 2.810 20 70 FFIDHM O=C(Cc1cccc(Br)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000160902204 509046153 /nfs/dbraw/zinc/04/61/53/509046153.db2.gz XFHRYUXUONIDFS-UHFFFAOYSA-N -1 3 358.199 2.810 20 70 FFIDHM O=C(Cc1cccc(Br)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000160902204 509046157 /nfs/dbraw/zinc/04/61/57/509046157.db2.gz XFHRYUXUONIDFS-UHFFFAOYSA-N -1 3 358.199 2.810 20 70 FFIDHM CCc1nc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cs1 ZINC000161149731 509077786 /nfs/dbraw/zinc/07/77/86/509077786.db2.gz QUEYRJOQFPVHOT-UHFFFAOYSA-N -1 3 354.435 2.945 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2)n1 ZINC000161160396 509079286 /nfs/dbraw/zinc/07/92/86/509079286.db2.gz VBNAEUAUUNSART-UHFFFAOYSA-N -1 3 351.410 2.949 20 70 FFIDHM COC(=O)CCCCCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000161493230 509122197 /nfs/dbraw/zinc/12/21/97/509122197.db2.gz RBYOQKWKIHHIKD-UHFFFAOYSA-N -1 3 362.401 2.829 20 70 FFIDHM C[C@]1(c2cccc(C(=O)N3CCc4c3cccc4Cl)c2)NC(=O)[N-]C1=O ZINC000159562098 508859174 /nfs/dbraw/zinc/85/91/74/508859174.db2.gz VHKRMGAPJLUGLI-LJQANCHMSA-N -1 3 369.808 2.598 20 70 FFIDHM Cc1nc2ccc(NC(=O)c3ccc(F)c([N-]S(C)(=O)=O)c3)cc2o1 ZINC000159586605 508862366 /nfs/dbraw/zinc/86/23/66/508862366.db2.gz APYZDDVFWNSTDO-UHFFFAOYSA-N -1 3 363.370 2.899 20 70 FFIDHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1C)c1nccs1 ZINC000159950024 508915812 /nfs/dbraw/zinc/91/58/12/508915812.db2.gz OBIJRINFZCMREL-LLVKDONJSA-N -1 3 356.469 2.898 20 70 FFIDHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1C ZINC000160309061 508968022 /nfs/dbraw/zinc/96/80/22/508968022.db2.gz FDHBQGSRZNYARR-UHFFFAOYSA-N -1 3 357.370 2.747 20 70 FFIDHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1C ZINC000160309061 508968024 /nfs/dbraw/zinc/96/80/24/508968024.db2.gz FDHBQGSRZNYARR-UHFFFAOYSA-N -1 3 357.370 2.747 20 70 FFIDHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1C ZINC000160309061 508968027 /nfs/dbraw/zinc/96/80/27/508968027.db2.gz FDHBQGSRZNYARR-UHFFFAOYSA-N -1 3 357.370 2.747 20 70 FFIDHM Cc1ccc(C(=O)NCCC(=O)NCc2nc(C(C)C)cs2)c([O-])c1 ZINC000160578641 509005159 /nfs/dbraw/zinc/00/51/59/509005159.db2.gz GVNRZTJMKOSMJF-UHFFFAOYSA-N -1 3 361.467 2.717 20 70 FFIDHM COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1[O-] ZINC000160767080 509030518 /nfs/dbraw/zinc/03/05/18/509030518.db2.gz XKUNEDLISRAXQO-UHFFFAOYSA-N -1 3 360.385 2.511 20 70 FFIDHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl ZINC000160848263 509039861 /nfs/dbraw/zinc/03/98/61/509039861.db2.gz LQUDBSBTSPAAME-UHFFFAOYSA-N -1 3 367.793 2.564 20 70 FFIDHM CCCN(Cc1cc([O-])ccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000161107063 509072268 /nfs/dbraw/zinc/07/22/68/509072268.db2.gz ZAQJHTJUMPWHTE-GFCCVEGCSA-N -1 3 362.289 2.554 20 70 FFIDHM COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000161205886 509085619 /nfs/dbraw/zinc/08/56/19/509085619.db2.gz CQXXRFCXNCLGEQ-UHFFFAOYSA-N -1 3 363.373 2.784 20 70 FFIDHM Cc1cccc2c(=O)c(C(=O)N3CCN(Cc4ccccn4)CC3)c[n-]c12 ZINC000161430989 509114898 /nfs/dbraw/zinc/11/48/98/509114898.db2.gz HGLQLQIHGKIUMU-UHFFFAOYSA-N -1 3 362.433 2.602 20 70 FFIDHM COc1cc(CNC(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000159416422 508839215 /nfs/dbraw/zinc/83/92/15/508839215.db2.gz YEPLSAMXVVZQTM-UHFFFAOYSA-N -1 3 366.215 2.558 20 70 FFIDHM COc1cc(F)c(S(=O)(=O)[N-]CCc2cccc(C)c2)cc1OC ZINC000159749863 508885147 /nfs/dbraw/zinc/88/51/47/508885147.db2.gz VRBHAYALIIBTQR-UHFFFAOYSA-N -1 3 353.415 2.672 20 70 FFIDHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000160006054 508924102 /nfs/dbraw/zinc/92/41/02/508924102.db2.gz VEMMVTMENBWXHI-MRXNPFEDSA-N -1 3 357.385 2.526 20 70 FFIDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)cc1Cl ZINC000160113922 508940570 /nfs/dbraw/zinc/94/05/70/508940570.db2.gz ZMIZVHDXTYFNOL-UHFFFAOYSA-N -1 3 360.838 2.906 20 70 FFIDHM COC(=O)C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1 ZINC000160262032 508961968 /nfs/dbraw/zinc/96/19/68/508961968.db2.gz QNOVAVQGNKUGNK-INIZCTEOSA-N -1 3 369.389 2.689 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccnc(OCC(F)(F)F)c3)[n-]2)o1 ZINC000160387680 508979466 /nfs/dbraw/zinc/97/94/66/508979466.db2.gz ABDLEFJCURZAHK-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccnc(OCC(F)(F)F)c3)n2)o1 ZINC000160387680 508979469 /nfs/dbraw/zinc/97/94/69/508979469.db2.gz ABDLEFJCURZAHK-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccnc(OCC(F)(F)F)c3)n[n-]2)o1 ZINC000160387680 508979474 /nfs/dbraw/zinc/97/94/74/508979474.db2.gz ABDLEFJCURZAHK-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3nc(C(C)C)no3)cc2)n1 ZINC000161174215 509080708 /nfs/dbraw/zinc/08/07/08/509080708.db2.gz XSJJXCXCRJSOHA-UHFFFAOYSA-N -1 3 367.409 2.823 20 70 FFIDHM CNc1snc(C)c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161194096 509084088 /nfs/dbraw/zinc/08/40/88/509084088.db2.gz DEOZVJYMGOWAIA-UHFFFAOYSA-N -1 3 355.423 2.804 20 70 FFIDHM Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161199825 509084771 /nfs/dbraw/zinc/08/47/71/509084771.db2.gz KRHYWHKMBXYOIL-UHFFFAOYSA-N -1 3 351.410 2.657 20 70 FFIDHM COc1cc(C(=O)NCc2cccc(Cn3ccnc3)c2)cc(OC)c1[O-] ZINC000161455711 509117415 /nfs/dbraw/zinc/11/74/15/509117415.db2.gz ZZDOFHDDVLFOEE-UHFFFAOYSA-N -1 3 367.405 2.584 20 70 FFIDHM CC(C)CC1(CNC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCC1 ZINC000159404576 508837580 /nfs/dbraw/zinc/83/75/80/508837580.db2.gz MBOGOGJMFCPKIA-LJQANCHMSA-N -1 3 357.454 2.687 20 70 FFIDHM O=C1[C@@H](Sc2n[n-]c(-c3ccccn3)n2)CCCN1CC(F)(F)F ZINC000159818495 508895168 /nfs/dbraw/zinc/89/51/68/508895168.db2.gz WQMGFCVKKBUYNS-JTQLQIEISA-N -1 3 357.361 2.512 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1)c1nccs1 ZINC000159913387 508910281 /nfs/dbraw/zinc/91/02/81/508910281.db2.gz CNUUSYLZPWWLCL-ZDUSSCGKSA-N -1 3 353.469 2.840 20 70 FFIDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2C)s1 ZINC000160060314 508932358 /nfs/dbraw/zinc/93/23/58/508932358.db2.gz UJZQBSUIURLMNA-UHFFFAOYSA-N -1 3 358.872 2.548 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)[n-]2)o1 ZINC000160429888 508985834 /nfs/dbraw/zinc/98/58/34/508985834.db2.gz XYJYLXRWSUQUTK-UHFFFAOYSA-N -1 3 361.361 2.981 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)n2)o1 ZINC000160429888 508985839 /nfs/dbraw/zinc/98/58/39/508985839.db2.gz XYJYLXRWSUQUTK-UHFFFAOYSA-N -1 3 361.361 2.981 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)n[n-]2)o1 ZINC000160429888 508985841 /nfs/dbraw/zinc/98/58/41/508985841.db2.gz XYJYLXRWSUQUTK-UHFFFAOYSA-N -1 3 361.361 2.981 20 70 FFIDHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1c(Cl)cccc1Cl ZINC000161035872 509063045 /nfs/dbraw/zinc/06/30/45/509063045.db2.gz AHQOLVWKGMYUIS-GFCCVEGCSA-N -1 3 360.262 2.875 20 70 FFIDHM COc1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)cc(OC)c1[O-] ZINC000161299049 509098712 /nfs/dbraw/zinc/09/87/12/509098712.db2.gz SSIYKETWDXVQRD-UHFFFAOYSA-N -1 3 361.785 2.641 20 70 FFIDHM Cc1cccc([C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccn2)c1 ZINC000159887870 508906765 /nfs/dbraw/zinc/90/67/65/508906765.db2.gz UXFIEIYUUWOUQT-IBGZPJMESA-N -1 3 371.396 2.793 20 70 FFIDHM Cc1cccc(OC[C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000159940543 508914918 /nfs/dbraw/zinc/91/49/18/508914918.db2.gz UFBFZNJCRRYCKJ-CYBMUJFWSA-N -1 3 373.833 2.506 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1C)c1nccs1 ZINC000159949895 508916054 /nfs/dbraw/zinc/91/60/54/508916054.db2.gz OBIJRINFZCMREL-NSHDSACASA-N -1 3 356.469 2.898 20 70 FFIDHM CN(C)[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1c(F)cccc1F ZINC000160122583 508941320 /nfs/dbraw/zinc/94/13/20/508941320.db2.gz WIPJEOXDXFELOC-OAHLLOKOSA-N -1 3 367.371 2.912 20 70 FFIDHM O=C(/C=C/SCc1ccco1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000160244436 508959157 /nfs/dbraw/zinc/95/91/57/508959157.db2.gz RWBWMPZXIOUDAU-NTUHNPAUSA-N -1 3 372.446 2.717 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(OCC(F)(F)F)n3)[n-]2)o1 ZINC000160404784 508981922 /nfs/dbraw/zinc/98/19/22/508981922.db2.gz QRQOZNUGXMHXII-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(OCC(F)(F)F)n3)n2)o1 ZINC000160404784 508981927 /nfs/dbraw/zinc/98/19/27/508981927.db2.gz QRQOZNUGXMHXII-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(OCC(F)(F)F)n3)n[n-]2)o1 ZINC000160404784 508981930 /nfs/dbraw/zinc/98/19/30/508981930.db2.gz QRQOZNUGXMHXII-UHFFFAOYSA-N -1 3 367.287 2.962 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1F ZINC000160965910 509053985 /nfs/dbraw/zinc/05/39/85/509053985.db2.gz FIFMEOPSBGMANE-UHFFFAOYSA-N -1 3 370.424 2.794 20 70 FFIDHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](C)[C@H](n4ccnc4)C3)c[n-]c12 ZINC000160963332 509054025 /nfs/dbraw/zinc/05/40/25/509054025.db2.gz QHLVWKWULFSSMG-YVEFUNNKSA-N -1 3 368.412 2.895 20 70 FFIDHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000161073847 509067979 /nfs/dbraw/zinc/06/79/79/509067979.db2.gz PEKMSCPHGSNGKJ-GFCCVEGCSA-N -1 3 360.262 2.875 20 70 FFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1)c1nccs1 ZINC000159972235 508919377 /nfs/dbraw/zinc/91/93/77/508919377.db2.gz DREXIMZGVRLERX-LBPRGKRZSA-N -1 3 357.432 2.670 20 70 FFIDHM COc1ccccc1-c1nc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)n[n-]1 ZINC000159979711 508920081 /nfs/dbraw/zinc/92/00/81/508920081.db2.gz KXJSKQAMDCJKJI-SNVBAGLBSA-N -1 3 354.414 2.953 20 70 FFIDHM C[C@@H](O)C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000159453149 508843835 /nfs/dbraw/zinc/84/38/35/508843835.db2.gz CBECUIJMTAEERD-GDBMZVCRSA-N -1 3 350.418 2.813 20 70 FFIDHM CC[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1c(C)noc1C ZINC000160134771 508943651 /nfs/dbraw/zinc/94/36/51/508943651.db2.gz PLRMGEPFXJMFEX-CYBMUJFWSA-N -1 3 369.418 2.683 20 70 FFIDHM CC(C)[C@@H](C(=O)Nc1ccc(Br)cc1[O-])N1CCCC1=O ZINC000160140136 508944375 /nfs/dbraw/zinc/94/43/75/508944375.db2.gz AJJUIQPXNGTUAB-AWEZNQCLSA-N -1 3 355.232 2.740 20 70 FFIDHM Cc1nc(CC(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c(C)s1 ZINC000160592154 509007365 /nfs/dbraw/zinc/00/73/65/509007365.db2.gz BYNBPAOLZVGREN-UHFFFAOYSA-N -1 3 353.469 2.621 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)n1 ZINC000160780955 509031745 /nfs/dbraw/zinc/03/17/45/509031745.db2.gz LXBXSEBSYWKEEO-KRWDZBQOSA-N -1 3 369.469 2.921 20 70 FFIDHM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)n1 ZINC000161142237 509076899 /nfs/dbraw/zinc/07/68/99/509076899.db2.gz NXPVDUQBCVFSEX-CQSZACIVSA-N -1 3 351.410 2.758 20 70 FFIDHM CCCn1c(C)nnc1CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000161487413 509121360 /nfs/dbraw/zinc/12/13/60/509121360.db2.gz SGSMERJBVKPBBC-UHFFFAOYSA-N -1 3 357.458 2.553 20 70 FFIDHM C[C@@]1(c2cccc(C(=O)N3CCc4c3cccc4Cl)c2)NC(=O)[N-]C1=O ZINC000159561942 508858767 /nfs/dbraw/zinc/85/87/67/508858767.db2.gz VHKRMGAPJLUGLI-IBGZPJMESA-N -1 3 369.808 2.598 20 70 FFIDHM CC[C@H](C)Oc1ccc(NC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000159725006 508880613 /nfs/dbraw/zinc/88/06/13/508880613.db2.gz QMVHMZWOBPCABH-WFASDCNBSA-N -1 3 356.488 2.766 20 70 FFIDHM O=C(c1cc2c(s1)CCC2)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000159925071 508912518 /nfs/dbraw/zinc/91/25/18/508912518.db2.gz DBORTWBNVLSEHC-UHFFFAOYSA-N -1 3 356.447 2.541 20 70 FFIDHM CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1)c1ccccc1 ZINC000160307705 508968601 /nfs/dbraw/zinc/96/86/01/508968601.db2.gz YEIACCQKLHBKIT-AWEZNQCLSA-N -1 3 353.382 2.579 20 70 FFIDHM CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1)c1ccccc1 ZINC000160307705 508968604 /nfs/dbraw/zinc/96/86/04/508968604.db2.gz YEIACCQKLHBKIT-AWEZNQCLSA-N -1 3 353.382 2.579 20 70 FFIDHM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000160307705 508968607 /nfs/dbraw/zinc/96/86/07/508968607.db2.gz YEIACCQKLHBKIT-AWEZNQCLSA-N -1 3 353.382 2.579 20 70 FFIDHM O=C(CCSc1ccccc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000160678429 509018509 /nfs/dbraw/zinc/01/85/09/509018509.db2.gz FKBSQTXZEIJLCC-UHFFFAOYSA-N -1 3 370.474 2.859 20 70 FFIDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)n2)ccc1F ZINC000160759148 509029989 /nfs/dbraw/zinc/02/99/89/509029989.db2.gz HBKCLFSTBFIAEU-UHFFFAOYSA-N -1 3 369.393 2.689 20 70 FFIDHM O=C(c1ccccc1[O-])N1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000160789775 509033526 /nfs/dbraw/zinc/03/35/26/509033526.db2.gz FBDQRZYJZXXCOV-UHFFFAOYSA-N -1 3 368.477 2.749 20 70 FFIDHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000160918791 509048099 /nfs/dbraw/zinc/04/80/99/509048099.db2.gz GFENVDVCLPXTGF-UHFFFAOYSA-N -1 3 350.227 2.674 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)n1 ZINC000161141709 509076894 /nfs/dbraw/zinc/07/68/94/509076894.db2.gz UIXWXQINRHTDDG-UHFFFAOYSA-N -1 3 372.388 2.578 20 70 FFIDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-n4cncn4)cc3)cc2)n1 ZINC000161194908 509084454 /nfs/dbraw/zinc/08/44/54/509084454.db2.gz UHPXINWCNNXVOE-UHFFFAOYSA-N -1 3 372.388 2.578 20 70 FFIDHM C[C@]1(c2cccc(C(=O)Nc3cccc4cccnc43)c2)NC(=O)[N-]C1=O ZINC000161342802 509104296 /nfs/dbraw/zinc/10/42/96/509104296.db2.gz OOOCDTHTJHVACT-HXUWFJFHSA-N -1 3 360.373 2.542 20 70 FFIDHM C[C@H](O)C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000159452753 508843688 /nfs/dbraw/zinc/84/36/88/508843688.db2.gz CBECUIJMTAEERD-HOCLYGCPSA-N -1 3 350.418 2.813 20 70 FFIDHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000159529369 508853616 /nfs/dbraw/zinc/85/36/16/508853616.db2.gz DJURLFLGXMHRAG-ZDUSSCGKSA-N -1 3 351.390 2.925 20 70 FFIDHM Cn1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)nc1Cl ZINC000159852673 508900966 /nfs/dbraw/zinc/90/09/66/508900966.db2.gz MHSTYJYQLOOOLF-JSGCOSHPSA-N -1 3 369.874 2.520 20 70 FFIDHM CN(C)[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)c1ccccc1 ZINC000160035812 508928249 /nfs/dbraw/zinc/92/82/49/508928249.db2.gz RAHDOOXTKCRXBE-KRWDZBQOSA-N -1 3 354.422 2.687 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(N4CCCC4=O)c3)[n-]2)o1 ZINC000160184831 508951288 /nfs/dbraw/zinc/95/12/88/508951288.db2.gz HJWZOTPUVYHFAT-UHFFFAOYSA-N -1 3 351.366 2.752 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(N4CCCC4=O)c3)n2)o1 ZINC000160184831 508951291 /nfs/dbraw/zinc/95/12/91/508951291.db2.gz HJWZOTPUVYHFAT-UHFFFAOYSA-N -1 3 351.366 2.752 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(N4CCCC4=O)c3)n[n-]2)o1 ZINC000160184831 508951292 /nfs/dbraw/zinc/95/12/92/508951292.db2.gz HJWZOTPUVYHFAT-UHFFFAOYSA-N -1 3 351.366 2.752 20 70 FFIDHM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000160224431 508957051 /nfs/dbraw/zinc/95/70/51/508957051.db2.gz AYPGKXNVCWWKQK-UHFFFAOYSA-N -1 3 370.696 2.932 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCCNC(=O)c3ccccc3)[n-]2)o1 ZINC000160309885 508968156 /nfs/dbraw/zinc/96/81/56/508968156.db2.gz GJXPFQDPCGSAKB-UHFFFAOYSA-N -1 3 353.382 2.522 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCNC(=O)c3ccccc3)n2)o1 ZINC000160309885 508968160 /nfs/dbraw/zinc/96/81/60/508968160.db2.gz GJXPFQDPCGSAKB-UHFFFAOYSA-N -1 3 353.382 2.522 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCCNC(=O)c3ccccc3)n[n-]2)o1 ZINC000160309885 508968164 /nfs/dbraw/zinc/96/81/64/508968164.db2.gz GJXPFQDPCGSAKB-UHFFFAOYSA-N -1 3 353.382 2.522 20 70 FFIDHM Cn1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c(-c2cccs2)n1 ZINC000160899255 509045091 /nfs/dbraw/zinc/04/50/91/509045091.db2.gz NSSHDTPLJIJIDY-UHFFFAOYSA-N -1 3 353.411 2.525 20 70 FFIDHM Cn1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c(-c2cccs2)n1 ZINC000160899255 509045094 /nfs/dbraw/zinc/04/50/94/509045094.db2.gz NSSHDTPLJIJIDY-UHFFFAOYSA-N -1 3 353.411 2.525 20 70 FFIDHM COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc(OC)c1[O-] ZINC000160968944 509054743 /nfs/dbraw/zinc/05/47/43/509054743.db2.gz KGKDKCVTQVDBFC-HNNXBMFYSA-N -1 3 374.437 2.959 20 70 FFIDHM Cc1ccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1Cl ZINC000161144066 509076828 /nfs/dbraw/zinc/07/68/28/509076828.db2.gz HEYOWLIOSQWLAM-SFHVURJKSA-N -1 3 357.797 2.955 20 70 FFIDHM COc1ccc2nc(C)cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000161461506 509118314 /nfs/dbraw/zinc/11/83/14/509118314.db2.gz ORWZAHVYKWRCJS-UHFFFAOYSA-N -1 3 351.288 2.941 20 70 FFIDHM COc1ccc2nc(C)cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000161461506 509118316 /nfs/dbraw/zinc/11/83/16/509118316.db2.gz ORWZAHVYKWRCJS-UHFFFAOYSA-N -1 3 351.288 2.941 20 70 FFIDHM Cc1ccc(-c2nnc(NC(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)[n-]2)o1 ZINC000160213589 508955185 /nfs/dbraw/zinc/95/51/85/508955185.db2.gz GXBDLCCYXGWBDE-UHFFFAOYSA-N -1 3 366.381 2.504 20 70 FFIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)n2)o1 ZINC000160213589 508955190 /nfs/dbraw/zinc/95/51/90/508955190.db2.gz GXBDLCCYXGWBDE-UHFFFAOYSA-N -1 3 366.381 2.504 20 70 FFIDHM Cc1ccc(-c2nc(NC(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)n[n-]2)o1 ZINC000160213589 508955193 /nfs/dbraw/zinc/95/51/93/508955193.db2.gz GXBDLCCYXGWBDE-UHFFFAOYSA-N -1 3 366.381 2.504 20 70 FFIDHM CC(C)(C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)c1ccccc1 ZINC000160280241 508964317 /nfs/dbraw/zinc/96/43/17/508964317.db2.gz VODLGJMMCGFDLF-UHFFFAOYSA-N -1 3 352.434 2.654 20 70 FFIDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000160411675 508982740 /nfs/dbraw/zinc/98/27/40/508982740.db2.gz UNICJVDHTJSGCR-GFCCVEGCSA-N -1 3 354.366 2.982 20 70 FFIDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000160411675 508982743 /nfs/dbraw/zinc/98/27/43/508982743.db2.gz UNICJVDHTJSGCR-GFCCVEGCSA-N -1 3 354.366 2.982 20 70 FFIDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000160411675 508982748 /nfs/dbraw/zinc/98/27/48/508982748.db2.gz UNICJVDHTJSGCR-GFCCVEGCSA-N -1 3 354.366 2.982 20 70 FFIDHM Cc1cc(Oc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)n[nH]1 ZINC000160412041 508982886 /nfs/dbraw/zinc/98/28/86/508982886.db2.gz MOSACHSPIFVGJV-UHFFFAOYSA-N -1 3 367.409 2.782 20 70 FFIDHM CCc1cc(=O)[n-]c(CN2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000160549990 509001507 /nfs/dbraw/zinc/00/15/07/509001507.db2.gz DZSKKHXZOAVXHE-UHFFFAOYSA-N -1 3 352.891 2.777 20 70 FFIDHM O=C([N-]OCc1cccnc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000160722101 509025137 /nfs/dbraw/zinc/02/51/37/509025137.db2.gz ZCOADVZGIHGDJI-INIZCTEOSA-N -1 3 354.410 2.574 20 70 FFIDHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c(C)o1 ZINC000161023939 509061477 /nfs/dbraw/zinc/06/14/77/509061477.db2.gz KBHUWGUDPDRJMK-UHFFFAOYSA-N -1 3 367.276 2.732 20 70 FFIDHM