smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N1CC(Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233933366 769499063 /nfs/dbraw/zinc/49/90/63/769499063.db2.gz ACPNTBMSRPBCBP-UHFFFAOYSA-N -2 3 307.310 0.644 20 0 DCADHL O=C(Oc1nc2cccc(F)c2[n-]1)[C@H](O)COP(=O)([O-])[O-] ZINC001233929317 769499303 /nfs/dbraw/zinc/49/93/03/769499303.db2.gz XXRZUDBIYFWLSN-SSDOTTSWSA-N -3 3 320.169 0.078 20 0 DCADHL O=C(Oc1nc2c(cccc2F)[n-]1)[C@H](O)COP(=O)([O-])[O-] ZINC001233929317 769499308 /nfs/dbraw/zinc/49/93/08/769499308.db2.gz XXRZUDBIYFWLSN-SSDOTTSWSA-N -3 3 320.169 0.078 20 0 DCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1cccnc1Cl ZINC001184889385 771836484 /nfs/dbraw/zinc/83/64/84/771836484.db2.gz IFTBWIVGVCDPNX-UHFFFAOYSA-N -3 3 316.659 0.123 20 0 DCADHL Cn1ccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185555842 771927892 /nfs/dbraw/zinc/92/78/92/771927892.db2.gz JZGBMHNQQBJZEI-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1ccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185555842 771927896 /nfs/dbraw/zinc/92/78/96/771927896.db2.gz JZGBMHNQQBJZEI-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL O=S(=O)([N-]c1cnns1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566477 771929336 /nfs/dbraw/zinc/92/93/36/771929336.db2.gz MTJNSXUYARSWSB-UHFFFAOYSA-N -2 3 309.336 0.519 20 0 DCADHL O=S(=O)([N-]c1cnns1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566477 771929341 /nfs/dbraw/zinc/92/93/41/771929341.db2.gz MTJNSXUYARSWSB-UHFFFAOYSA-N -2 3 309.336 0.519 20 0 DCADHL COC(=O)CCS(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001188387893 772295775 /nfs/dbraw/zinc/29/57/75/772295775.db2.gz FYRCUTVIHWZONZ-UHFFFAOYSA-N -2 3 317.319 0.484 20 0 DCADHL COc1cc(C(=O)NCCCCP(=O)([O-])[O-])nc(OC)n1 ZINC001189102138 772422703 /nfs/dbraw/zinc/42/27/03/772422703.db2.gz XGPVAVNEBNLGRD-UHFFFAOYSA-N -2 3 319.254 0.182 20 0 DCADHL COC(=O)C([N-]S(=O)(=O)Cc1cc(F)ccc1F)=C(C)[O-] ZINC001189708280 772520821 /nfs/dbraw/zinc/52/08/21/772520821.db2.gz IQTILSQLQQELMB-LLVKDONJSA-N -2 3 321.301 0.515 20 0 DCADHL C[C@@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195250175 773354781 /nfs/dbraw/zinc/35/47/81/773354781.db2.gz VDOYQVPJOWIRAN-LURJTMIESA-N -2 3 309.290 0.712 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc2nccnc2c1 ZINC001198164176 773869360 /nfs/dbraw/zinc/86/93/60/773869360.db2.gz HVGZYAZPHFWEJL-UHFFFAOYSA-N -2 3 317.263 0.086 20 0 DCADHL COC(=O)c1ccccc1NC(=S)NCCP(=O)([O-])[O-] ZINC001198994600 774015312 /nfs/dbraw/zinc/01/53/12/774015312.db2.gz RFCOYDQHAORYBC-UHFFFAOYSA-N -2 3 318.291 0.937 20 0 DCADHL CCOc1ncc(C(=O)NCCCCP(=O)([O-])[O-])cn1 ZINC001199231950 774063548 /nfs/dbraw/zinc/06/35/48/774063548.db2.gz ZZNNYFKLULTHFI-UHFFFAOYSA-N -2 3 303.255 0.563 20 0 DCADHL O=c1nc2nc(Br)[n-]c2c(O[C@H]2C[C@H](O)C2)[n-]1 ZINC001218359911 774222088 /nfs/dbraw/zinc/22/20/88/774222088.db2.gz SVVMMGRNPFQGTQ-JPYJGEKTSA-N -2 3 301.100 0.723 20 0 DCADHL CC(C)(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001589208327 1166640343 /nfs/dbraw/zinc/64/03/43/1166640343.db2.gz VSBYECHVARSNGF-UHFFFAOYSA-N -2 3 315.380 0.786 20 0 DCADHL CC(C)(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001589208327 1166640349 /nfs/dbraw/zinc/64/03/49/1166640349.db2.gz VSBYECHVARSNGF-UHFFFAOYSA-N -2 3 315.380 0.786 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])c(F)cc1F ZINC001600301612 1168161421 /nfs/dbraw/zinc/16/14/21/1168161421.db2.gz KCRUFBLCDLESSD-GXSJLCMTSA-N -2 3 321.301 0.794 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)CCCO)oc1C(=O)[O-] ZINC001600299498 1168161324 /nfs/dbraw/zinc/16/13/24/1168161324.db2.gz NVEWRUONHGMZEQ-QMMMGPOBSA-N -2 3 305.352 0.973 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCSCC(=O)[O-])cc1C(=O)[O-] ZINC001600857694 1168486929 /nfs/dbraw/zinc/48/69/29/1168486929.db2.gz MCFKPHOJMQRALR-UHFFFAOYSA-N -3 3 323.348 0.382 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)cc1C(=O)[O-] ZINC001600856104 1168487369 /nfs/dbraw/zinc/48/73/69/1168487369.db2.gz PGDQKOVAMANKIO-NXEZZACHSA-N -2 3 303.336 0.868 20 0 DCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@@H]2CCCC23OCCO3)CCC1 ZINC001601713460 1168825611 /nfs/dbraw/zinc/82/56/11/1168825611.db2.gz MEQFJCSCKKZSJM-SNVBAGLBSA-N -2 3 319.379 0.456 20 0 DCADHL O=C([O-])c1cnc(C(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC001602508574 971215536 /nfs/dbraw/zinc/21/55/36/971215536.db2.gz SWLGKAFZDSYMLZ-UHFFFAOYSA-N -2 3 311.261 0.607 20 0 DCADHL O=C([O-])c1cnc(C(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC001602508574 971215540 /nfs/dbraw/zinc/21/55/40/971215540.db2.gz SWLGKAFZDSYMLZ-UHFFFAOYSA-N -2 3 311.261 0.607 20 0 DCADHL COC(=O)CS(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC001259027465 946901437 /nfs/dbraw/zinc/90/14/37/946901437.db2.gz YTLGRACPHRCNQA-UHFFFAOYSA-N -2 3 303.292 0.094 20 0 DCADHL COc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1C ZINC001260640799 947131280 /nfs/dbraw/zinc/13/12/80/947131280.db2.gz MVDJJFWZFCJCDE-UHFFFAOYSA-N -2 3 309.280 0.460 20 0 DCADHL COc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1F ZINC001260663736 947135310 /nfs/dbraw/zinc/13/53/10/947135310.db2.gz FRBIBMFJIBNYGY-UHFFFAOYSA-N -2 3 313.243 0.290 20 0 DCADHL COc1cnc(C(C)(C)NC(=O)c2cnncc2[O-])[n-]c1=O ZINC001412657725 952970492 /nfs/dbraw/zinc/97/04/92/952970492.db2.gz FTLPIYJXJGFFCC-UHFFFAOYSA-N -2 3 305.294 0.352 20 0 DCADHL O=C([O-])COCCOCCNCc1c(F)ccc([O-])c1F ZINC001345159780 953603399 /nfs/dbraw/zinc/60/33/99/953603399.db2.gz LKRFCMSGURNARW-UHFFFAOYSA-N -2 3 305.277 0.878 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)o1 ZINC000386946133 972092640 /nfs/dbraw/zinc/09/26/40/972092640.db2.gz VMYRIVGMXCFTQR-VIFPVBQESA-N -2 3 301.320 0.825 20 0 DCADHL COC(=O)c1nc[n-]c1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593897507 955835500 /nfs/dbraw/zinc/83/55/00/955835500.db2.gz HKFRRZUUPFRNON-UHFFFAOYSA-N -2 3 319.273 0.912 20 0 DCADHL COC(=O)c1[n-]cnc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593897507 955835510 /nfs/dbraw/zinc/83/55/10/955835510.db2.gz HKFRRZUUPFRNON-UHFFFAOYSA-N -2 3 319.273 0.912 20 0 DCADHL COCCN(CCC(=O)[O-])C(=O)CCc1c(C)nc[n-]c1=O ZINC001594002515 956941450 /nfs/dbraw/zinc/94/14/50/956941450.db2.gz OXHGWTCBJYYXEB-UHFFFAOYSA-N -2 3 311.338 0.373 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C ZINC000035346590 957204679 /nfs/dbraw/zinc/20/46/79/957204679.db2.gz IRPRSQDUUTXFQP-SECBINFHSA-N -2 3 305.308 0.454 20 0 DCADHL CSc1ncc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(=O)[n-]1 ZINC001362242918 958990182 /nfs/dbraw/zinc/99/01/82/958990182.db2.gz AHSAHBALIDWHNF-SSDOTTSWSA-N -2 3 309.351 0.146 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ncn(C)n1 ZINC000392134577 972414871 /nfs/dbraw/zinc/41/48/71/972414871.db2.gz NQWFROIYPHPUFY-ZCFIWIBFSA-N -2 3 300.296 0.146 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(=O)[n-]1 ZINC001594449510 959351130 /nfs/dbraw/zinc/35/11/30/959351130.db2.gz YUTWSDASMLFJPI-KCJUWKMLSA-N -2 3 307.350 0.911 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)C2(C(=O)[O-])CCSCC2)n1 ZINC001594269569 959788161 /nfs/dbraw/zinc/78/81/61/959788161.db2.gz VCQLMWJLRCKKDB-UHFFFAOYSA-N -2 3 311.363 0.705 20 0 DCADHL CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000228236957 960006926 /nfs/dbraw/zinc/00/69/26/960006926.db2.gz UNUXCLFERYHDQP-SVRRBLITSA-N -2 3 309.365 0.369 20 0 DCADHL CC(C)(C)OC(=O)c1cc(C(=O)[N-]N2CCCNC2=O)n[n-]1 ZINC001362807550 960019258 /nfs/dbraw/zinc/01/92/58/960019258.db2.gz HURLKUQXUBXZAX-UHFFFAOYSA-N -2 3 309.326 0.425 20 0 DCADHL CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000228925465 960046484 /nfs/dbraw/zinc/04/64/84/960046484.db2.gz CIDSORSXSUHMSX-LURJTMIESA-N -2 3 321.380 0.033 20 0 DCADHL CSc1ncc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(=O)[n-]1 ZINC001363345032 960944836 /nfs/dbraw/zinc/94/48/36/960944836.db2.gz BSHIHTAUNFRQST-UHFFFAOYSA-N -2 3 319.346 0.864 20 0 DCADHL C[C@H]1CNc2c(C(=O)NCc3nc([O-])cc(=O)[n-]3)cnn2C1 ZINC001363485720 961255788 /nfs/dbraw/zinc/25/57/88/961255788.db2.gz MYXGIACZFQVMEA-ZETCQYMHSA-N -2 3 304.310 0.076 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)c1C(=O)[O-] ZINC001571133281 961586954 /nfs/dbraw/zinc/58/69/54/961586954.db2.gz LLCUCDUMAVACNN-VIFPVBQESA-N -2 3 317.367 0.511 20 0 DCADHL CC(C)[C@@H](CNC(=O)Nc1n[n-]nc1C(=O)NC1CC1)C(=O)[O-] ZINC001588824847 961660243 /nfs/dbraw/zinc/66/02/43/961660243.db2.gz CDFQDRYUTJACQB-MRVPVSSYSA-N -2 3 324.341 0.175 20 0 DCADHL O=C([O-])C=Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)co1 ZINC001574665140 962498789 /nfs/dbraw/zinc/49/87/89/962498789.db2.gz AVQDKFVAFGPDSW-ARJAWSKDSA-N -2 3 305.290 0.763 20 0 DCADHL N#Cc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1 ZINC000316198157 963989601 /nfs/dbraw/zinc/98/96/01/963989601.db2.gz MBODILUUFDGEKR-UHFFFAOYSA-N -2 3 307.287 0.723 20 0 DCADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)N(C)C1CC1 ZINC000316282353 963998956 /nfs/dbraw/zinc/99/89/56/963998956.db2.gz UFNVOBQPQDAPRH-ZETCQYMHSA-N -2 3 303.340 0.134 20 0 DCADHL CCCNC(=O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001605330923 1169897261 /nfs/dbraw/zinc/89/72/61/1169897261.db2.gz MSISLHJJXMNICY-UHFFFAOYSA-N -2 3 304.324 0.091 20 0 DCADHL CSCCO[N-]C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001605375810 1169908822 /nfs/dbraw/zinc/90/88/22/1169908822.db2.gz TVHGTGXLSXNBFN-SNVBAGLBSA-N -2 3 309.351 0.311 20 0 DCADHL CSCCO[N-]C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001605375810 1169908826 /nfs/dbraw/zinc/90/88/26/1169908826.db2.gz TVHGTGXLSXNBFN-SNVBAGLBSA-N -2 3 309.351 0.311 20 0 DCADHL O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1=O ZINC001606259005 973617557 /nfs/dbraw/zinc/61/75/57/973617557.db2.gz MWQSTENDSLFSBY-SECBINFHSA-N -2 3 316.335 0.024 20 0 DCADHL CC(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1[O-] ZINC001549224837 1014180122 /nfs/dbraw/zinc/18/01/22/1014180122.db2.gz SUXYDJJFBHPWNB-ZBEGNZNMSA-N -2 3 319.313 0.768 20 0 DCADHL C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001592216403 977283234 /nfs/dbraw/zinc/28/32/34/977283234.db2.gz HZSRLJQGQSMLNV-HDQVDFFYSA-N -2 3 312.413 0.746 20 0 DCADHL COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000720057750 978024448 /nfs/dbraw/zinc/02/44/48/978024448.db2.gz UTTYVZHYBAPJPC-LURJTMIESA-N -2 3 308.381 0.933 20 0 DCADHL C[C@H](CS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1)C(=O)[O-] ZINC001592815339 979508094 /nfs/dbraw/zinc/50/80/94/979508094.db2.gz GPNJBXMRBVPUSJ-SCSAIBSYSA-N -2 3 317.245 0.229 20 0 DCADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001595126246 979516017 /nfs/dbraw/zinc/51/60/17/979516017.db2.gz SXLNVTWFTQRPOK-ZCFIWIBFSA-N -3 3 322.364 0.763 20 0 DCADHL CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595128301 979526547 /nfs/dbraw/zinc/52/65/47/979526547.db2.gz OFSFGSXCHOKNEE-VIFPVBQESA-N -2 3 305.352 0.973 20 0 DCADHL C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC001573632433 983070865 /nfs/dbraw/zinc/07/08/65/983070865.db2.gz KZZLVJHHDCRNIZ-RKDXNWHRSA-N -2 3 317.367 0.591 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)C)c1C(=O)[O-] ZINC001574181680 983183699 /nfs/dbraw/zinc/18/36/99/983183699.db2.gz DPNZOLAXKIXRLW-ZETCQYMHSA-N -2 3 319.339 0.035 20 0 DCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](COC)C(=O)[O-])c1 ZINC001588662198 983789242 /nfs/dbraw/zinc/78/92/42/983789242.db2.gz YXGZMCDKGZOYSR-SNVBAGLBSA-N -2 3 308.290 0.346 20 0 DCADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001596876083 985724365 /nfs/dbraw/zinc/72/43/65/985724365.db2.gz SPLYNYAUSWNTIR-SNVBAGLBSA-N -2 3 309.322 0.621 20 0 DCADHL CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596975398 986216883 /nfs/dbraw/zinc/21/68/83/986216883.db2.gz SMULDMWFXGMDPF-NXEZZACHSA-N -2 3 317.367 0.734 20 0 DCADHL CC(C)(C(=O)[O-])N1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001589621381 987502133 /nfs/dbraw/zinc/50/21/33/987502133.db2.gz VZVKGMLOGDQPBY-UHFFFAOYSA-N -2 3 320.345 0.582 20 0 DCADHL CC(C)(CS(=O)(=O)[N-][C@H]1CCCCC12OCCO2)C(=O)[O-] ZINC001590803355 990634585 /nfs/dbraw/zinc/63/45/85/990634585.db2.gz KXQDFCOYWUTZEV-JTQLQIEISA-N -2 3 321.395 0.702 20 0 DCADHL COC(=O)[C@H]1CCN(Cc2nc(C)cc(=O)[n-]2)[C@@H](C(=O)[O-])C1 ZINC001598804349 996169956 /nfs/dbraw/zinc/16/99/56/996169956.db2.gz SCTQPSVGAWREEA-VHSXEESVSA-N -2 3 309.322 0.329 20 0 DCADHL COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598830967 996436626 /nfs/dbraw/zinc/43/66/26/996436626.db2.gz KQHZNIOKTWJCFS-WTSVBCDHSA-N -2 3 317.319 0.682 20 0 DCADHL COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598832605 996452047 /nfs/dbraw/zinc/45/20/47/996452047.db2.gz WTFKOLSDDXGSMT-KGGZQZJCSA-N -2 3 303.292 0.374 20 0 DCADHL CC1(O)CCC([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001594065080 997865779 /nfs/dbraw/zinc/86/57/79/997865779.db2.gz LFWSPGJPLOZZRY-UHFFFAOYSA-N -2 3 303.336 0.950 20 0 DCADHL CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599139996 998111882 /nfs/dbraw/zinc/11/18/82/998111882.db2.gz MWKLATFIQXZYJR-WCBMZHEXSA-N -2 3 319.335 0.308 20 0 DCADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001573542583 1163475085 /nfs/dbraw/zinc/47/50/85/1163475085.db2.gz DSGWSOXVLBNOTP-DCXZOGHSSA-N -2 3 314.429 0.970 20 0 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CCC(=O)C[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000681578990 548266432 /nfs/dbraw/zinc/26/64/32/548266432.db2.gz LSGABQJKQNZSNX-VIFPVBQESA-N -2 3 317.367 0.634 20 0 DCADHL Cc1c([N-]S(=O)(=O)c2cnn(C)c2)cccc1-c1nn[n-]n1 ZINC000822130588 607256180 /nfs/dbraw/zinc/25/61/80/607256180.db2.gz WMYRYSTXYSNRPC-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2CCOC2=O)o1 ZINC000740175028 599778379 /nfs/dbraw/zinc/77/83/79/599778379.db2.gz CBMYWEUPDQLOKK-UHFFFAOYSA-N -2 3 318.307 0.098 20 0 DCADHL C[C@@H](O)[C@@H](C)SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC000820467318 599129578 /nfs/dbraw/zinc/12/95/78/599129578.db2.gz DKFSPHGKJRFADM-RNFRBKRXSA-N -2 3 321.366 0.618 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736496962 599617497 /nfs/dbraw/zinc/61/74/97/599617497.db2.gz AFULURNKTVVVNF-BQYQJAHWSA-N -2 3 321.362 0.736 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736496962 599617499 /nfs/dbraw/zinc/61/74/99/599617499.db2.gz AFULURNKTVVVNF-BQYQJAHWSA-N -2 3 321.362 0.736 20 0 DCADHL CC(=O)Nc1nc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)cs1 ZINC000736169828 600179693 /nfs/dbraw/zinc/17/96/93/600179693.db2.gz YMMUDUMRGWYJKS-UHFFFAOYSA-N -2 3 310.295 0.099 20 0 DCADHL COC(=O)C[C@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000737590405 600483799 /nfs/dbraw/zinc/48/37/99/600483799.db2.gz HJAUVTHGNMZTGF-VIFPVBQESA-N -2 3 319.273 0.082 20 0 DCADHL CC(C)([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000736340973 600578602 /nfs/dbraw/zinc/57/86/02/600578602.db2.gz ILNFYZATUAVCHF-UHFFFAOYSA-N -2 3 323.168 0.986 20 0 DCADHL COCCN(CCC(=O)[O-])C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000737785564 600633264 /nfs/dbraw/zinc/63/32/64/600633264.db2.gz BCTKEPDMDJZLKK-UHFFFAOYSA-N -2 3 311.338 0.291 20 0 DCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000737642949 600750482 /nfs/dbraw/zinc/75/04/82/600750482.db2.gz VVZHYAUYGFUXQV-SECBINFHSA-N -2 3 319.335 0.844 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2ccc(NC(=O)[O-])cc2)n[n-]1 ZINC000737631281 603208294 /nfs/dbraw/zinc/20/82/94/603208294.db2.gz SMCGWKJSOFDWFF-UHFFFAOYSA-N -2 3 319.277 0.862 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-]CCN(C)C(=O)[O-])oc1C ZINC000828761395 603492067 /nfs/dbraw/zinc/49/20/67/603492067.db2.gz SGEZVOZJWOFYQB-UHFFFAOYSA-N -2 3 320.323 0.263 20 0 DCADHL O=C([O-])N1CC[C@@H](COC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000831492330 603803622 /nfs/dbraw/zinc/80/36/22/603803622.db2.gz AGLONDJZNUJDIS-SNVBAGLBSA-N -2 3 322.317 0.665 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)oc1C ZINC000828761230 604413097 /nfs/dbraw/zinc/41/30/97/604413097.db2.gz QREXQNAGXDJEAR-UHFFFAOYSA-N -2 3 318.307 0.015 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)s1 ZINC000739790539 604413530 /nfs/dbraw/zinc/41/35/30/604413530.db2.gz BEPDILYOPKGVAJ-UHFFFAOYSA-N -2 3 320.348 0.175 20 0 DCADHL COCCN(CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(=O)[O-] ZINC000828980092 604585363 /nfs/dbraw/zinc/58/53/63/604585363.db2.gz SKRJUCOEJKJOSR-UHFFFAOYSA-N -2 3 323.309 0.938 20 0 DCADHL CCc1cc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])[nH]n1 ZINC000829318830 605029158 /nfs/dbraw/zinc/02/91/58/605029158.db2.gz NDFOLCRKUWGAQS-UHFFFAOYSA-N -2 3 316.364 0.605 20 0 DCADHL C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000166897074 605037516 /nfs/dbraw/zinc/03/75/16/605037516.db2.gz PHPVWPGSIJNPPI-RQJHMYQMSA-N -2 3 323.317 0.958 20 0 DCADHL O=C([O-])N1CCCC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000834288345 605836539 /nfs/dbraw/zinc/83/65/39/605836539.db2.gz YTKCUTAIYLNAFX-NSHDSACASA-N -2 3 306.322 0.599 20 0 DCADHL O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(SCCO)n2)C1 ZINC000834164898 605952232 /nfs/dbraw/zinc/95/22/32/605952232.db2.gz QYTMXVIKODEBFL-RNFRBKRXSA-N -2 3 315.355 0.264 20 0 DCADHL Cc1cncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822399131 606203120 /nfs/dbraw/zinc/20/31/20/606203120.db2.gz AGPGSURJINORPU-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1n[nH]c(=O)[n-]1 ZINC000822927992 606640537 /nfs/dbraw/zinc/64/05/37/606640537.db2.gz CEARDJXDEIDVBS-WAYWQWQTSA-N -2 3 312.293 0.020 20 0 DCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1n[nH]c(=O)[n-]1 ZINC000822927992 606640538 /nfs/dbraw/zinc/64/05/38/606640538.db2.gz CEARDJXDEIDVBS-WAYWQWQTSA-N -2 3 312.293 0.020 20 0 DCADHL O=S(=O)([N-]c1ccon1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493053 609384385 /nfs/dbraw/zinc/38/43/85/609384385.db2.gz QHSBMJBUIFQODZ-UHFFFAOYSA-N -2 3 310.270 0.795 20 0 DCADHL O=S(=O)([N-]c1ccon1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493053 609384388 /nfs/dbraw/zinc/38/43/88/609384388.db2.gz QHSBMJBUIFQODZ-UHFFFAOYSA-N -2 3 310.270 0.795 20 0 DCADHL CCCN(C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000770604877 668702063 /nfs/dbraw/zinc/70/20/63/668702063.db2.gz TUCSXSMYIIGWMN-UHFFFAOYSA-N -2 3 316.383 0.044 20 0 DCADHL O=C(c1cccc(F)c1[O-])N1CCSC[C@H]1c1nn[n-]n1 ZINC000935456820 669724758 /nfs/dbraw/zinc/72/47/58/669724758.db2.gz MTMOCUIMQRSGFT-VIFPVBQESA-N -2 3 309.326 0.975 20 0 DCADHL O=C([N-]OCCN1CCCC1=O)c1n[n-]c2ccccc2c1=O ZINC000856040159 670779477 /nfs/dbraw/zinc/77/94/77/670779477.db2.gz WWWSFNSPZZMSRN-UHFFFAOYSA-N -2 3 316.317 0.619 20 0 DCADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)C1CCC1 ZINC000853025944 671202903 /nfs/dbraw/zinc/20/29/03/671202903.db2.gz YKZVVEKMFRWGQV-SSDOTTSWSA-N -2 3 307.759 0.842 20 0 DCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000824730685 671438657 /nfs/dbraw/zinc/43/86/57/671438657.db2.gz PSBWAMIFDYVQSX-DTWKUNHWSA-N -2 3 319.321 0.566 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])nc1Cl ZINC000844821279 672205138 /nfs/dbraw/zinc/20/51/38/672205138.db2.gz NKNMGJCXUCACES-QMMMGPOBSA-N -2 3 321.786 0.853 20 0 DCADHL O=C(N=c1[n-]nc2ccccn21)NN=c1ccc(Cl)n[n-]1 ZINC000092759972 685108421 /nfs/dbraw/zinc/10/84/21/685108421.db2.gz JBAJJYLYQNPQFJ-UHFFFAOYSA-N -2 3 304.701 0.743 20 0 DCADHL O=C(N[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-] ZINC001006778249 690584242 /nfs/dbraw/zinc/58/42/42/690584242.db2.gz OEHXDDGSNKMZKO-JTQLQIEISA-N -2 3 317.349 0.610 20 0 DCADHL CCC(CC)(CCO)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573686980 1163536292 /nfs/dbraw/zinc/53/62/92/1163536292.db2.gz UEMGIBFVTMQJLM-UHFFFAOYSA-N -2 3 319.383 0.575 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCCOC1 ZINC001573699821 1163538897 /nfs/dbraw/zinc/53/88/97/1163538897.db2.gz JJTDPUOLKMKULH-SCZZXKLOSA-N -2 3 317.367 0.591 20 0 DCADHL CCOC(=O)c1nc([C@@H](C)NCc2cccc(C(=O)[O-])n2)n[n-]1 ZINC001573793686 1163555530 /nfs/dbraw/zinc/55/55/30/1163555530.db2.gz NZWOYGZROLWLKB-MRVPVSSYSA-N -2 3 319.321 0.925 20 0 DCADHL CCOC(=O)c1nnc([C@@H](C)NCc2cccc(C(=O)[O-])n2)[n-]1 ZINC001573793686 1163555534 /nfs/dbraw/zinc/55/55/34/1163555534.db2.gz NZWOYGZROLWLKB-MRVPVSSYSA-N -2 3 319.321 0.925 20 0 DCADHL CCOC(=O)c1n[n-]c([C@@H](C)NCc2cccc(C(=O)[O-])n2)n1 ZINC001573793686 1163555536 /nfs/dbraw/zinc/55/55/36/1163555536.db2.gz NZWOYGZROLWLKB-MRVPVSSYSA-N -2 3 319.321 0.925 20 0 DCADHL COC(=O)c1[n-]cnc1NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573947302 1163595971 /nfs/dbraw/zinc/59/59/71/1163595971.db2.gz BVUHTFJZIIHKGP-UHFFFAOYSA-N -2 3 311.294 0.406 20 0 DCADHL COC(=O)c1nc[n-]c1NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC001573947302 1163595974 /nfs/dbraw/zinc/59/59/74/1163595974.db2.gz BVUHTFJZIIHKGP-UHFFFAOYSA-N -2 3 311.294 0.406 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(=O)OC(C)C)c1C(=O)[O-] ZINC001574181665 1163653466 /nfs/dbraw/zinc/65/34/66/1163653466.db2.gz DDGZDIUESSNKPG-UHFFFAOYSA-N -2 3 319.339 0.036 20 0 DCADHL Cc1nc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)ncc1C(=O)[O-] ZINC001574187692 1163655654 /nfs/dbraw/zinc/65/56/54/1163655654.db2.gz JPKZCVLSXMEDQU-SECBINFHSA-N -2 3 316.321 0.670 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]C[C@]1(C(=O)[O-])CCCOC1 ZINC001574204426 1163661537 /nfs/dbraw/zinc/66/15/37/1163661537.db2.gz AORFEFJJESGWML-LLVKDONJSA-N -2 3 304.324 0.143 20 0 DCADHL O=C([O-])[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574346222 1163700464 /nfs/dbraw/zinc/70/04/64/1163700464.db2.gz QJNMAYJHPISZIV-SCZZXKLOSA-N -2 3 320.284 0.147 20 0 DCADHL O=C([O-])[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574346222 1163700467 /nfs/dbraw/zinc/70/04/67/1163700467.db2.gz QJNMAYJHPISZIV-SCZZXKLOSA-N -2 3 320.284 0.147 20 0 DCADHL O=C([O-])CC1(NC(=O)c2nnc3ccccc3c2[O-])COC1 ZINC001574364253 1163706742 /nfs/dbraw/zinc/70/67/42/1163706742.db2.gz AITMMCYNPACKIU-UHFFFAOYSA-N -2 3 303.274 0.309 20 0 DCADHL C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1nn(C)cc1[O-] ZINC001575339374 1163981555 /nfs/dbraw/zinc/98/15/55/1163981555.db2.gz VQMOCLKGOLSMRW-MRVPVSSYSA-N -2 3 313.321 0.797 20 0 DCADHL COc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)ccc1-c1nnn[n-]1 ZINC001579913196 1165434412 /nfs/dbraw/zinc/43/44/12/1165434412.db2.gz IQTBUZCPDQAVLP-UHFFFAOYSA-N -2 3 315.293 0.865 20 0 DCADHL COc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)s1 ZINC001580151666 1165520688 /nfs/dbraw/zinc/52/06/88/1165520688.db2.gz UXCMZGPSOUFZMV-UHFFFAOYSA-N -2 3 319.306 0.685 20 0 DCADHL O=c1cc(CN2CCC[C@@H](F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814703 1166093046 /nfs/dbraw/zinc/09/30/46/1166093046.db2.gz RORWSRPMCBBDCL-MRVPVSSYSA-N -2 3 318.316 0.549 20 0 DCADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC(=O)N1 ZINC001589002523 1166626838 /nfs/dbraw/zinc/62/68/38/1166626838.db2.gz CSLLIUQYQXFNGT-LDYMZIIASA-N -2 3 316.321 0.191 20 0 DCADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC(=O)N1 ZINC001589002523 1166626844 /nfs/dbraw/zinc/62/68/44/1166626844.db2.gz CSLLIUQYQXFNGT-LDYMZIIASA-N -2 3 316.321 0.191 20 0 DCADHL CC(C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001589759527 1166684409 /nfs/dbraw/zinc/68/44/09/1166684409.db2.gz WKTIISDSWUKHBA-UHFFFAOYSA-N -2 3 323.378 0.654 20 0 DCADHL CC(C)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001589759527 1166684414 /nfs/dbraw/zinc/68/44/14/1166684414.db2.gz WKTIISDSWUKHBA-UHFFFAOYSA-N -2 3 323.378 0.654 20 0 DCADHL C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589920296 1166721079 /nfs/dbraw/zinc/72/10/79/1166721079.db2.gz XTSRJLGNJGZQRV-QMMMGPOBSA-N -2 3 301.306 0.909 20 0 DCADHL C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589920296 1166721083 /nfs/dbraw/zinc/72/10/83/1166721083.db2.gz XTSRJLGNJGZQRV-QMMMGPOBSA-N -2 3 301.306 0.909 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590015729 1166753439 /nfs/dbraw/zinc/75/34/39/1166753439.db2.gz KROQJKLLDZTVNR-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590015729 1166753443 /nfs/dbraw/zinc/75/34/43/1166753443.db2.gz KROQJKLLDZTVNR-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC001590071516 1166763555 /nfs/dbraw/zinc/76/35/55/1166763555.db2.gz PDNOZNSNCGQMPV-CQSZACIVSA-N -2 3 313.321 0.815 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC001590071516 1166763564 /nfs/dbraw/zinc/76/35/64/1166763564.db2.gz PDNOZNSNCGQMPV-CQSZACIVSA-N -2 3 313.321 0.815 20 0 DCADHL CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(=O)[O-] ZINC001591120731 1167108541 /nfs/dbraw/zinc/10/85/41/1167108541.db2.gz GFJVPQDRQFWXOV-UHFFFAOYSA-N -2 3 318.337 0.525 20 0 DCADHL CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(=O)[O-] ZINC001591120731 1167108545 /nfs/dbraw/zinc/10/85/45/1167108545.db2.gz GFJVPQDRQFWXOV-UHFFFAOYSA-N -2 3 318.337 0.525 20 0 DCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001591752462 1167367569 /nfs/dbraw/zinc/36/75/69/1167367569.db2.gz KDDZYQOBHMAKQO-GLEZIHRCSA-N -2 3 313.317 0.820 20 0 DCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001591752462 1167367574 /nfs/dbraw/zinc/36/75/74/1167367574.db2.gz KDDZYQOBHMAKQO-GLEZIHRCSA-N -2 3 313.317 0.820 20 0 DCADHL Cc1ccc(CNC(=O)C2CC(C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592158862 1167466296 /nfs/dbraw/zinc/46/62/96/1167466296.db2.gz KMMSYVJUOLVAEK-UHFFFAOYSA-N -2 3 315.333 0.902 20 0 DCADHL Cc1nc(NC[C@]2(C(=O)[O-])CCCOC2)ccc1-c1nnn[n-]1 ZINC001592386414 1167509038 /nfs/dbraw/zinc/50/90/38/1167509038.db2.gz RVLSKDXCQCFZSG-CQSZACIVSA-N -2 3 318.337 0.863 20 0 DCADHL Cc1nc(NC[C@]2(C(=O)[O-])CCCOC2)ccc1-c1nn[n-]n1 ZINC001592386414 1167509044 /nfs/dbraw/zinc/50/90/44/1167509044.db2.gz RVLSKDXCQCFZSG-CQSZACIVSA-N -2 3 318.337 0.863 20 0 DCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001592575217 1167566959 /nfs/dbraw/zinc/56/69/59/1167566959.db2.gz YTNQRLQETMPWKK-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001592575217 1167566963 /nfs/dbraw/zinc/56/69/63/1167566963.db2.gz YTNQRLQETMPWKK-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL O=C(CO[C@H]1CCOC1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592886367 1167657629 /nfs/dbraw/zinc/65/76/29/1167657629.db2.gz IIWLNCCRIAEIOK-NSHDSACASA-N -2 3 305.294 0.082 20 0 DCADHL O=C(CO[C@H]1CCOC1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592886367 1167657632 /nfs/dbraw/zinc/65/76/32/1167657632.db2.gz IIWLNCCRIAEIOK-NSHDSACASA-N -2 3 305.294 0.082 20 0 DCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)O1 ZINC001593272494 1167748579 /nfs/dbraw/zinc/74/85/79/1167748579.db2.gz BUNMXFPFYJNWIQ-UWVGGRQHSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)O1 ZINC001593272494 1167748584 /nfs/dbraw/zinc/74/85/84/1167748584.db2.gz BUNMXFPFYJNWIQ-UWVGGRQHSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593274809 1167752727 /nfs/dbraw/zinc/75/27/27/1167752727.db2.gz QREUUTLVMMDBBD-VIFPVBQESA-N -2 3 302.294 0.805 20 0 DCADHL O=C([O-])[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593274809 1167752735 /nfs/dbraw/zinc/75/27/35/1167752735.db2.gz QREUUTLVMMDBBD-VIFPVBQESA-N -2 3 302.294 0.805 20 0 DCADHL O=c1[n-]n(-c2cccc(-c3nnn[n-]3)c2)c(=O)c2c1CCCC2 ZINC001593489995 1167877163 /nfs/dbraw/zinc/87/71/63/1167877163.db2.gz RYDUXJXNLYUKQS-UHFFFAOYSA-N -2 3 310.317 0.997 20 0 DCADHL O=c1[n-]n(-c2cccc(-c3nn[n-]n3)c2)c(=O)c2c1CCCC2 ZINC001593489995 1167877170 /nfs/dbraw/zinc/87/71/70/1167877170.db2.gz RYDUXJXNLYUKQS-UHFFFAOYSA-N -2 3 310.317 0.997 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@@](C)(Cn2cccn2)C(=O)[O-])o1 ZINC001600478835 1168189374 /nfs/dbraw/zinc/18/93/74/1168189374.db2.gz SDKAJUPYVHLYFK-LBPRGKRZSA-N -2 3 313.335 0.606 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC2OCCO2)C(=O)[O-])o1 ZINC001600479468 1168191487 /nfs/dbraw/zinc/19/14/87/1168191487.db2.gz YXFDHSMSKCGIEW-SECBINFHSA-N -2 3 319.335 0.473 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](C)/C=C/C(=O)[O-] ZINC001600790565 1168297181 /nfs/dbraw/zinc/29/71/81/1168297181.db2.gz LFHCCYDUCHBEFY-ZJELKQJVSA-N -2 3 310.335 0.345 20 0 DCADHL O=C([O-])C1(O)CCN(CC(=O)[N-]OCc2ccccc2)CC1 ZINC001601303977 1168695605 /nfs/dbraw/zinc/69/56/05/1168695605.db2.gz JUGWZVDXNBGRSM-UHFFFAOYSA-N -2 3 308.334 0.146 20 0 DCADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cccc2n[n-]nc21 ZINC001601411264 1168736298 /nfs/dbraw/zinc/73/62/98/1168736298.db2.gz FMWZMWIRARDTKC-JOYOIKCWSA-N -2 3 318.333 0.958 20 0 DCADHL O=C([O-])c1cc(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)no1 ZINC001601633210 1168797032 /nfs/dbraw/zinc/79/70/32/1168797032.db2.gz IEMUHVBLDURJEL-UHFFFAOYSA-N -2 3 300.234 0.805 20 0 DCADHL O=C([O-])C[C@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001601952404 1168945556 /nfs/dbraw/zinc/94/55/56/1168945556.db2.gz FOYSRZUMPHSCQU-ZCFIWIBFSA-N -2 3 321.259 0.972 20 0 DCADHL O=C([O-])C[C@H]1COCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601963319 1168949846 /nfs/dbraw/zinc/94/98/46/1168949846.db2.gz QZVSHGFRTVDXQT-VIFPVBQESA-N -2 3 307.306 0.375 20 0 DCADHL O=C([O-])CCN1CC[C@H](N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1=O ZINC001602010665 1168961790 /nfs/dbraw/zinc/96/17/90/1168961790.db2.gz YZTZQYDAHKMKII-UWVGGRQHSA-N -2 3 324.337 0.030 20 0 DCADHL O=C([O-])Cn1cc(CO[N-]C(=O)CCCc2ccccc2)nn1 ZINC001602162045 1169011080 /nfs/dbraw/zinc/01/10/80/1169011080.db2.gz MCTVCVPJZKOISZ-UHFFFAOYSA-N -2 3 318.333 0.933 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCC12OCCO2 ZINC001602488743 1169091257 /nfs/dbraw/zinc/09/12/57/1169091257.db2.gz LJUJSFOGLLUZGH-VIFPVBQESA-N -2 3 317.319 0.552 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1COCc2ccccc21 ZINC001602507013 1169101319 /nfs/dbraw/zinc/10/13/19/1169101319.db2.gz XURIWYGRULZZOA-NSHDSACASA-N -2 3 323.330 0.658 20 0 DCADHL CC(C)c1[n-][nH]c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001603240161 1169281234 /nfs/dbraw/zinc/28/12/34/1169281234.db2.gz AAXZAEFWFQVXOU-SNVBAGLBSA-N -2 3 313.321 0.563 20 0 DCADHL CC(C)c1[n-][nH]c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001603240161 1169281241 /nfs/dbraw/zinc/28/12/41/1169281241.db2.gz AAXZAEFWFQVXOU-SNVBAGLBSA-N -2 3 313.321 0.563 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603704912 1169367133 /nfs/dbraw/zinc/36/71/33/1169367133.db2.gz MXYBMTAHDQOYSU-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603704912 1169367136 /nfs/dbraw/zinc/36/71/36/1169367136.db2.gz MXYBMTAHDQOYSU-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603961849 1169453623 /nfs/dbraw/zinc/45/36/23/1169453623.db2.gz FXTXGQMSWQLXIN-CLTKARDFSA-N -2 3 308.323 0.033 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603961849 1169453626 /nfs/dbraw/zinc/45/36/26/1169453626.db2.gz FXTXGQMSWQLXIN-CLTKARDFSA-N -2 3 308.323 0.033 20 0 DCADHL CC[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001604499886 1169606663 /nfs/dbraw/zinc/60/66/63/1169606663.db2.gz GTBXBJJECXLNOH-VIFPVBQESA-N -2 3 311.323 0.008 20 0 DCADHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])O1 ZINC001604699624 1169658316 /nfs/dbraw/zinc/65/83/16/1169658316.db2.gz AGXJCEHTNYBZBL-RQJHMYQMSA-N -2 3 306.365 0.687 20 0 DCADHL CC[C@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605025097 1169784913 /nfs/dbraw/zinc/78/49/13/1169784913.db2.gz PWMBLBPXDTXEBU-SECBINFHSA-N -2 3 317.367 0.526 20 0 DCADHL COC[C@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC001605063452 1169803094 /nfs/dbraw/zinc/80/30/94/1169803094.db2.gz MICPNQJEPOIZNJ-CQSZACIVSA-N -2 3 319.321 0.330 20 0 DCADHL COC[C@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC001605063452 1169803106 /nfs/dbraw/zinc/80/31/06/1169803106.db2.gz MICPNQJEPOIZNJ-CQSZACIVSA-N -2 3 319.321 0.330 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001605105293 1169825600 /nfs/dbraw/zinc/82/56/00/1169825600.db2.gz WTVMLUCYYVMPMN-ZCFIWIBFSA-N -3 3 323.273 0.805 20 0 DCADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)c1 ZINC001605821837 1170008812 /nfs/dbraw/zinc/00/88/12/1170008812.db2.gz YCFOSQXASWEFPQ-NEPJUHHUSA-N -2 3 321.329 0.900 20 0 DCADHL Cc1nc(N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001606055231 1170065433 /nfs/dbraw/zinc/06/54/33/1170065433.db2.gz GRHFGCVVHPKIIQ-UMNHJUIQSA-N -2 3 300.322 0.727 20 0 DCADHL CN(C)c1nc(C(=O)N(CC(=O)[O-])C2CCCC2)cc(=O)[n-]1 ZINC001606081991 1170072133 /nfs/dbraw/zinc/07/21/33/1170072133.db2.gz YFFMSTVYTNFBJK-UHFFFAOYSA-N -2 3 308.338 0.718 20 0 DCADHL CN(CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC(F)F ZINC001606133089 1170090353 /nfs/dbraw/zinc/09/03/53/1170090353.db2.gz OAELRLKIDCIZLV-UHFFFAOYSA-N -2 3 312.294 0.453 20 0 DCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001606325734 1170159939 /nfs/dbraw/zinc/15/99/39/1170159939.db2.gz OONMGSYOZFEUKU-VIFPVBQESA-N -2 3 323.273 0.259 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)/C=C/C(=O)[O-] ZINC001606637172 1170251641 /nfs/dbraw/zinc/25/16/41/1170251641.db2.gz YAWOKPYGOMHXHP-FCJGRKLLSA-N -2 3 320.348 0.237 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1(F)CC1 ZINC001606865726 1170318234 /nfs/dbraw/zinc/31/82/34/1170318234.db2.gz VTUDWWCKDWLWAV-UHFFFAOYSA-N -2 3 311.298 0.174 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1(F)CC1 ZINC001606865726 1170318242 /nfs/dbraw/zinc/31/82/42/1170318242.db2.gz VTUDWWCKDWLWAV-UHFFFAOYSA-N -2 3 311.298 0.174 20 0 DCADHL O=C([O-])CCN(C[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)n1 ZINC001606958112 1170339113 /nfs/dbraw/zinc/33/91/13/1170339113.db2.gz QYJMCRIJBDDLAA-JTQLQIEISA-N -2 3 318.337 0.722 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2cncc(F)c2)c1C(=O)[O-] ZINC001607938108 1170529434 /nfs/dbraw/zinc/52/94/34/1170529434.db2.gz JOTDQFRCUVHJHQ-UHFFFAOYSA-N -2 3 314.298 0.429 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CS[C@H](C)C2)c1C(=O)[O-] ZINC001607940778 1170529656 /nfs/dbraw/zinc/52/96/56/1170529656.db2.gz UVEIUMXLLJWASG-IYSWYEEDSA-N -2 3 305.381 0.589 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CC2=CCCOC2)cc1C(=O)[O-] ZINC001608055702 1170561830 /nfs/dbraw/zinc/56/18/30/1170561830.db2.gz CGDDCLILDXBIDF-UHFFFAOYSA-N -2 3 301.320 0.911 20 0 DCADHL O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001608598818 1170712428 /nfs/dbraw/zinc/71/24/28/1170712428.db2.gz YNTCJPBHZOSGSN-PRHODGIISA-N -2 3 309.274 0.171 20 0 DCADHL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001608770373 1170753147 /nfs/dbraw/zinc/75/31/47/1170753147.db2.gz XMWGNEZKQGGIKL-WCQYABFASA-N -2 3 320.345 0.882 20 0 DCADHL O=C([O-])c1ccc(CC(=O)N2CCCc3c(=O)[n-]cnc32)cn1 ZINC001608879942 1170768287 /nfs/dbraw/zinc/76/82/87/1170768287.db2.gz GAOQTMQNFXOESG-UHFFFAOYSA-N -2 3 314.301 0.797 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1COC[C@H]1C1CC1 ZINC001609003574 1170784293 /nfs/dbraw/zinc/78/42/93/1170784293.db2.gz RQSFEEYEEOFDRK-JGVFFNPUSA-N -2 3 318.376 0.545 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-] ZINC001609005308 1170784332 /nfs/dbraw/zinc/78/43/32/1170784332.db2.gz MTIGNJQCAPELGX-ZCFIWIBFSA-N -3 3 320.348 0.373 20 0 DCADHL CC(=O)CCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609061538 1170796241 /nfs/dbraw/zinc/79/62/41/1170796241.db2.gz JYWBQZYOQLLJCD-UHFFFAOYSA-N -2 3 323.334 0.041 20 0 DCADHL CC(=O)CCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609061538 1170796245 /nfs/dbraw/zinc/79/62/45/1170796245.db2.gz JYWBQZYOQLLJCD-UHFFFAOYSA-N -2 3 323.334 0.041 20 0 DCADHL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609184794 1170855821 /nfs/dbraw/zinc/85/58/21/1170855821.db2.gz PEJLBMJGLBBKMM-SECBINFHSA-N -2 3 318.337 0.899 20 0 DCADHL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609184794 1170855829 /nfs/dbraw/zinc/85/58/29/1170855829.db2.gz PEJLBMJGLBBKMM-SECBINFHSA-N -2 3 318.337 0.899 20 0 DCADHL CCN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001609990406 1171132654 /nfs/dbraw/zinc/13/26/54/1171132654.db2.gz JTNPEOFPOVJJQN-UHFFFAOYSA-N -2 3 304.324 0.043 20 0 DCADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC001610030110 1171143706 /nfs/dbraw/zinc/14/37/06/1171143706.db2.gz IGASMSCZNGIYIN-SECBINFHSA-N -2 3 311.290 0.683 20 0 DCADHL Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610475546 1171240941 /nfs/dbraw/zinc/24/09/41/1171240941.db2.gz BBJLZDBZYFYBNQ-ZJUUUORDSA-N -2 3 318.337 0.788 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCCS2)c1C(=O)[O-] ZINC001610549463 1171251665 /nfs/dbraw/zinc/25/16/65/1171251665.db2.gz BAURIYYIITXRLP-SSDOTTSWSA-N -2 3 305.381 0.590 20 0 DCADHL O=C([O-])c1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)no1 ZINC001610693493 1171292965 /nfs/dbraw/zinc/29/29/65/1171292965.db2.gz OXTONGYIPLRSAB-UHFFFAOYSA-N -2 3 319.273 0.238 20 0 DCADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC001610753819 1171310449 /nfs/dbraw/zinc/31/04/49/1171310449.db2.gz HGBAXBBRBXPSCH-LURJTMIESA-N -3 3 320.348 0.373 20 0 DCADHL O=C([O-])CCCS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC001610771640 1171319342 /nfs/dbraw/zinc/31/93/42/1171319342.db2.gz OIHUWJAVLDHXGT-UHFFFAOYSA-N -2 3 317.245 0.373 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)o1 ZINC001610839419 1171337980 /nfs/dbraw/zinc/33/79/80/1171337980.db2.gz YMVPQVZVMLFWNZ-UHFFFAOYSA-N -3 3 317.319 0.901 20 0 DCADHL O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(F)cc(F)c1[O-] ZINC001630312010 1171567910 /nfs/dbraw/zinc/56/79/10/1171567910.db2.gz NADIKNPEQJUNHZ-UHFFFAOYSA-N -2 3 311.244 0.549 20 0 DCADHL O=C(C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1)c1ccc([O-])cc1 ZINC001645346121 1172040140 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/nfs/dbraw/zinc/46/90/82/604469082.db2.gz NWFJCUPGRKHLOI-UHFFFAOYSA-N -2 3 302.294 0.283 20 0 DCADHL CC(C)(CC(=O)Nc1n[n-]c(SCCO)n1)NC(=O)[O-] ZINC000823886303 604933988 /nfs/dbraw/zinc/93/39/88/604933988.db2.gz OPFOKZMNFPHFAF-UHFFFAOYSA-N -2 3 303.344 0.264 20 0 DCADHL COc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(OC)c1[O-] ZINC000820759052 605041051 /nfs/dbraw/zinc/04/10/51/605041051.db2.gz COEKWRCJGRRPSV-NSHDSACASA-N -2 3 311.290 0.335 20 0 DCADHL CC[C@H](NC(=O)[O-])C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000827539732 605079189 /nfs/dbraw/zinc/07/91/89/605079189.db2.gz ZAEZQAZVGPSYBG-ZETCQYMHSA-N -2 3 314.319 0.594 20 0 DCADHL CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833655497 605211541 /nfs/dbraw/zinc/21/15/41/605211541.db2.gz BLEWUZUNAQWZDA-SSDOTTSWSA-N -2 3 305.308 0.455 20 0 DCADHL O=C(C=C1CN(C(=O)[O-])C1)OCC(=O)[N-]C(=O)c1cccs1 ZINC000834005797 605312127 /nfs/dbraw/zinc/31/21/27/605312127.db2.gz IORPFJPKUGKWOR-UHFFFAOYSA-N -2 3 324.314 0.468 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450361 607776887 /nfs/dbraw/zinc/77/68/87/607776887.db2.gz ILBWOYGEWNRYSV-UHFFFAOYSA-N -2 3 324.347 0.375 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450361 607776888 /nfs/dbraw/zinc/77/68/88/607776888.db2.gz ILBWOYGEWNRYSV-UHFFFAOYSA-N -2 3 324.347 0.375 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819865042 606394698 /nfs/dbraw/zinc/39/46/98/606394698.db2.gz CHUKSQUYKUTDSR-QMMMGPOBSA-N -2 3 321.362 0.718 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819865042 606394700 /nfs/dbraw/zinc/39/47/00/606394700.db2.gz CHUKSQUYKUTDSR-QMMMGPOBSA-N -2 3 321.362 0.718 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823285102 606467610 /nfs/dbraw/zinc/46/76/10/606467610.db2.gz NBWCZEDWCWWGGI-UHFFFAOYSA-N -2 3 313.364 0.398 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823285102 606467609 /nfs/dbraw/zinc/46/76/09/606467609.db2.gz NBWCZEDWCWWGGI-UHFFFAOYSA-N -2 3 313.364 0.398 20 0 DCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccccc2)n1 ZINC000822623529 606711886 /nfs/dbraw/zinc/71/18/86/606711886.db2.gz ZDFWOLBKCFUFFS-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL CC[C@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820852650 607103276 /nfs/dbraw/zinc/10/32/76/607103276.db2.gz DZPBVQCPQJUNKR-AWEZNQCLSA-N -2 3 319.321 0.615 20 0 DCADHL C[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820226011 607108372 /nfs/dbraw/zinc/10/83/72/607108372.db2.gz RRDQVMDNFJVLNP-RKDXNWHRSA-N -2 3 319.321 0.613 20 0 DCADHL C[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820226011 607108374 /nfs/dbraw/zinc/10/83/74/607108374.db2.gz RRDQVMDNFJVLNP-RKDXNWHRSA-N -2 3 319.321 0.613 20 0 DCADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824797148 607776566 /nfs/dbraw/zinc/77/65/66/607776566.db2.gz VYVKBJUCWLAHFZ-JTQLQIEISA-N -2 3 321.362 0.718 20 0 DCADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824797148 607776567 /nfs/dbraw/zinc/77/65/67/607776567.db2.gz VYVKBJUCWLAHFZ-JTQLQIEISA-N -2 3 321.362 0.718 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825029746 608039594 /nfs/dbraw/zinc/03/95/94/608039594.db2.gz YTVLRUNBRSCEGB-YCRREMRBSA-N -2 3 321.362 0.779 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825029746 608039595 /nfs/dbraw/zinc/03/95/95/608039595.db2.gz YTVLRUNBRSCEGB-YCRREMRBSA-N -2 3 321.362 0.779 20 0 DCADHL COCCO[N-]C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000748773727 662028098 /nfs/dbraw/zinc/02/80/98/662028098.db2.gz IPMAXRFFDLFVGO-UHFFFAOYSA-N -2 3 323.374 0.770 20 0 DCADHL CC(C)[C@H](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)C(=O)[O-] ZINC000848583027 670698066 /nfs/dbraw/zinc/69/80/66/670698066.db2.gz TVLGSFFHSNKXHY-LURJTMIESA-N -2 3 323.275 0.980 20 0 DCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccncc1Br ZINC000816732244 670851308 /nfs/dbraw/zinc/85/13/08/670851308.db2.gz YXIMYVLKXAEBFZ-UHFFFAOYSA-N -2 3 300.072 0.231 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])nc1Cl ZINC000818430784 671014842 /nfs/dbraw/zinc/01/48/42/671014842.db2.gz NERFWHFIOZFJHW-UHFFFAOYSA-N -2 3 309.775 0.853 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCC[S@@](C)=O)oc1C(=O)[O-] ZINC000853231338 671223511 /nfs/dbraw/zinc/22/35/11/671223511.db2.gz LWFZZNMMSAOWRN-GOSISDBHSA-N -2 3 309.365 0.333 20 0 DCADHL Cc1onc(CC(=O)[N-]O[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826348657 671486307 /nfs/dbraw/zinc/48/63/07/671486307.db2.gz XMTIPIDSGQXQKU-SNVBAGLBSA-N -2 3 308.298 0.280 20 0 DCADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c[nH]nc2Cl)CCCC1 ZINC000837287684 671854990 /nfs/dbraw/zinc/85/49/90/671854990.db2.gz HMTJCYZJBLYHSH-UHFFFAOYSA-N -2 3 307.759 0.986 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(N)=O ZINC000840891496 671905309 /nfs/dbraw/zinc/90/53/09/671905309.db2.gz PQROZGBVWHUGNG-MRVPVSSYSA-N -2 3 322.289 0.205 20 0 DCADHL CO[C@@H](CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-])C1CCCCC1 ZINC000903032529 685461668 /nfs/dbraw/zinc/46/16/68/685461668.db2.gz JKWRDZJZDVDRRQ-QWRGUYRKSA-N -2 3 311.375 0.924 20 0 DCADHL CCC[C@]1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCOC1 ZINC000378833803 1157917796 /nfs/dbraw/zinc/91/77/96/1157917796.db2.gz LGBHWVRCLACURO-NSHDSACASA-N -2 3 303.340 0.345 20 0 DCADHL CC[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573665608 1163526577 /nfs/dbraw/zinc/52/65/77/1163526577.db2.gz BDNPTDYLYZLXBU-LLVKDONJSA-N -2 3 316.321 0.730 20 0 DCADHL CC[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573665608 1163526582 /nfs/dbraw/zinc/52/65/82/1163526582.db2.gz BDNPTDYLYZLXBU-LLVKDONJSA-N -2 3 316.321 0.730 20 0 DCADHL CC[C@@H](C[C@H](C)O)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573686418 1163536270 /nfs/dbraw/zinc/53/62/70/1163536270.db2.gz NRALPORZXAEDOV-XPUUQOCRSA-N -2 3 305.356 0.244 20 0 DCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC001573934919 1163591610 /nfs/dbraw/zinc/59/16/10/1163591610.db2.gz GXTHNSZKNQWABD-LURJTMIESA-N -2 3 319.339 0.036 20 0 DCADHL O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cccc2n[n-]nc21 ZINC001574308825 1163692092 /nfs/dbraw/zinc/69/20/92/1163692092.db2.gz PECKNVPITQRDOP-KCJUWKMLSA-N -2 3 304.306 0.710 20 0 DCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCCO ZINC001589483305 1166661925 /nfs/dbraw/zinc/66/19/25/1166661925.db2.gz KYXCVFPDWFWCGG-LBPRGKRZSA-N -2 3 321.337 0.310 20 0 DCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCCO ZINC001589483305 1166661928 /nfs/dbraw/zinc/66/19/28/1166661928.db2.gz KYXCVFPDWFWCGG-LBPRGKRZSA-N -2 3 321.337 0.310 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590016470 1166752558 /nfs/dbraw/zinc/75/25/58/1166752558.db2.gz VTDLTCABDGUWGM-RQJHMYQMSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590016470 1166752561 /nfs/dbraw/zinc/75/25/61/1166752561.db2.gz VTDLTCABDGUWGM-RQJHMYQMSA-N -2 3 323.284 0.823 20 0 DCADHL CC[C@H](CS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1)OC ZINC001590448634 1166907935 /nfs/dbraw/zinc/90/79/35/1166907935.db2.gz XUCINWGSKPVABF-SSDOTTSWSA-N -2 3 315.359 0.065 20 0 DCADHL COC[C@]1(C(=O)[O-])CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591387091 1167257022 /nfs/dbraw/zinc/25/70/22/1167257022.db2.gz OGAPGYJLEMFPOB-AWEZNQCLSA-N -2 3 318.337 0.579 20 0 DCADHL COC[C@]1(C(=O)[O-])CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591387091 1167257027 /nfs/dbraw/zinc/25/70/27/1167257027.db2.gz OGAPGYJLEMFPOB-AWEZNQCLSA-N -2 3 318.337 0.579 20 0 DCADHL COc1cc(CNC(=O)CCC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591528103 1167324043 /nfs/dbraw/zinc/32/40/43/1167324043.db2.gz LBELHRLORXZPGF-UHFFFAOYSA-N -2 3 305.294 0.356 20 0 DCADHL COc1cc(CNC(=O)CCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591528103 1167324050 /nfs/dbraw/zinc/32/40/50/1167324050.db2.gz LBELHRLORXZPGF-UHFFFAOYSA-N -2 3 305.294 0.356 20 0 DCADHL Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)nn1C ZINC001592379161 1167509917 /nfs/dbraw/zinc/50/99/17/1167509917.db2.gz XWGYISOHFFYLAL-UHFFFAOYSA-N -2 3 300.282 0.262 20 0 DCADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592606632 1167581788 /nfs/dbraw/zinc/58/17/88/1167581788.db2.gz HDORIVKEOXVCPR-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592606632 1167581793 /nfs/dbraw/zinc/58/17/93/1167581793.db2.gz HDORIVKEOXVCPR-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001592828972 1167647073 /nfs/dbraw/zinc/64/70/73/1167647073.db2.gz UTWVBPCTMMBGHD-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592828972 1167647076 /nfs/dbraw/zinc/64/70/76/1167647076.db2.gz UTWVBPCTMMBGHD-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C(CNc1ccc(-c2nnn[n-]2)cn1)[N-]OC/C=C/Cl ZINC001592879227 1167656179 /nfs/dbraw/zinc/65/61/79/1167656179.db2.gz JCXIKRAUCSUNLT-DAFODLJHSA-N -2 3 309.717 0.474 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)[N-]OC/C=C/Cl ZINC001592879227 1167656184 /nfs/dbraw/zinc/65/61/84/1167656184.db2.gz 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O=C([O-])N1CC(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000831370230 603640563 /nfs/dbraw/zinc/64/05/63/603640563.db2.gz LJNXDPSLXJBRSE-UHFFFAOYSA-N -2 3 302.294 0.805 20 0 DCADHL CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C ZINC000830979250 604506474 /nfs/dbraw/zinc/50/64/74/604506474.db2.gz SAQVZEIRMCRQFL-SECBINFHSA-N -2 3 304.324 0.027 20 0 DCADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC000833483515 604882169 /nfs/dbraw/zinc/88/21/69/604882169.db2.gz KURMBHGGJBEQAT-ZCFIWIBFSA-N -3 3 322.364 0.619 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC000833523550 604882812 /nfs/dbraw/zinc/88/28/12/604882812.db2.gz RKZWYUYQWFFRNT-SCSAIBSYSA-N -3 3 309.246 0.414 20 0 DCADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833657005 605048140 /nfs/dbraw/zinc/04/81/40/605048140.db2.gz PRQGRZMFSIREFH-LURJTMIESA-N -2 3 322.364 0.319 20 0 DCADHL COCCC1(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC000833723076 605049663 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O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCOC1CC1 ZINC000903409017 663453884 /nfs/dbraw/zinc/45/38/84/663453884.db2.gz PVAUXWDLEDXHBB-NXEZZACHSA-N -2 3 324.299 0.762 20 0 DCADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000863406967 667140173 /nfs/dbraw/zinc/14/01/73/667140173.db2.gz BTDKUXSPYSDFPC-JTQLQIEISA-N -2 3 321.301 0.984 20 0 DCADHL CO[C@@H](CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1ccc(F)cc1 ZINC000863409849 667140761 /nfs/dbraw/zinc/14/07/61/667140761.db2.gz MNEOZMIGDLKFBI-MNOVXSKESA-N -2 3 323.317 0.855 20 0 DCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])c1 ZINC000738051849 667651251 /nfs/dbraw/zinc/65/12/51/667651251.db2.gz BBJCXLRAPNRGQU-UHFFFAOYSA-N -2 3 319.310 0.754 20 0 DCADHL COc1ncc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cn1 ZINC000738146357 667657458 /nfs/dbraw/zinc/65/74/58/667657458.db2.gz STEGDRKHCCPVEM-UHFFFAOYSA-N -2 3 323.334 0.996 20 0 DCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)[N-]OCC(F)F ZINC000760145488 668259064 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Nc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c([O-])c1 ZINC000832185492 671708254 /nfs/dbraw/zinc/70/82/54/671708254.db2.gz BWESTDLMCDRACV-MRVPVSSYSA-N -2 3 303.322 0.818 20 0 DCADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1 ZINC000837295714 671855499 /nfs/dbraw/zinc/85/54/99/671855499.db2.gz DCXNGNDBYURRGG-SECBINFHSA-N -2 3 323.273 0.313 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000841497816 671937141 /nfs/dbraw/zinc/93/71/41/671937141.db2.gz YRTHADIKKBNQTP-JGVFFNPUSA-N -2 3 321.786 0.914 20 0 DCADHL CCCO[N-]C(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O ZINC000844084674 672147173 /nfs/dbraw/zinc/14/71/73/672147173.db2.gz XHIGPWUYSHHOIP-UHFFFAOYSA-N -2 3 303.322 0.948 20 0 DCADHL CC1(C)CCC[C@H](CS(=O)(=O)[N-]C2(CC(=O)[O-])COC2)O1 ZINC001573609023 1163515316 /nfs/dbraw/zinc/51/53/16/1163515316.db2.gz LHPGQPHBUPTXPT-SNVBAGLBSA-N -2 3 321.395 0.497 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001574156494 1163650296 /nfs/dbraw/zinc/65/02/96/1163650296.db2.gz IRCUOAXMFCFUPG-ZJUUUORDSA-N -2 3 315.351 0.086 20 0 DCADHL Cc1n[nH]c(C(=O)NCCCNC(=O)c2ccccc2[O-])c1[O-] ZINC001575707244 1164114543 /nfs/dbraw/zinc/11/45/43/1164114543.db2.gz GAUJKFPDBQWFFM-UHFFFAOYSA-N -2 3 318.333 0.679 20 0 DCADHL COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n(C)n1 ZINC001579935163 1165443646 /nfs/dbraw/zinc/44/36/46/1165443646.db2.gz JTCPOGRRLQNGQH-UHFFFAOYSA-N -2 3 315.293 0.567 20 0 DCADHL O=c1[n-]c([C@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)n[nH]1 ZINC001582808984 1166089699 /nfs/dbraw/zinc/08/96/99/1166089699.db2.gz OKAAMYJFJTTXFH-QMMMGPOBSA-N -2 3 313.325 0.469 20 0 DCADHL O=c1cc(Cn2cc(-c3nnn[n-]3)nn2)nc(-c2ccccc2)[n-]1 ZINC001582815909 1166096929 /nfs/dbraw/zinc/09/69/29/1166096929.db2.gz FEHRCWILZCTMBW-UHFFFAOYSA-N -2 3 321.304 0.669 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(F)F ZINC001590031722 1166758580 /nfs/dbraw/zinc/75/85/80/1166758580.db2.gz ORLWWLHHCJLIIU-SSDOTTSWSA-N -2 3 313.264 0.947 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(F)F ZINC001590031722 1166758589 /nfs/dbraw/zinc/75/85/89/1166758589.db2.gz ORLWWLHHCJLIIU-SSDOTTSWSA-N -2 3 313.264 0.947 20 0 DCADHL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590216802 1166818286 /nfs/dbraw/zinc/81/82/86/1166818286.db2.gz ZLDHFRSPKBPMTD-GZMMTYOYSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590216802 1166818293 /nfs/dbraw/zinc/81/82/93/1166818293.db2.gz ZLDHFRSPKBPMTD-GZMMTYOYSA-N -2 3 321.362 0.469 20 0 DCADHL CCn1nccc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccn1 ZINC001590970739 1167061161 /nfs/dbraw/zinc/06/11/61/1167061161.db2.gz DSWRSTILLMDULL-UHFFFAOYSA-N -2 3 320.338 0.279 20 0 DCADHL CCn1nccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1 ZINC001590970739 1167061164 /nfs/dbraw/zinc/06/11/64/1167061164.db2.gz DSWRSTILLMDULL-UHFFFAOYSA-N -2 3 320.338 0.279 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001592104256 1167455263 /nfs/dbraw/zinc/45/52/63/1167455263.db2.gz STGQZCZCRCGTAN-MNOVXSKESA-N -2 3 317.305 0.746 20 0 DCADHL O=C(CO[C@@H]1CCOC1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592886366 1167658003 /nfs/dbraw/zinc/65/80/03/1167658003.db2.gz IIWLNCCRIAEIOK-LLVKDONJSA-N -2 3 305.294 0.082 20 0 DCADHL O=C(CO[C@@H]1CCOC1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592886366 1167658007 /nfs/dbraw/zinc/65/80/07/1167658007.db2.gz IIWLNCCRIAEIOK-LLVKDONJSA-N -2 3 305.294 0.082 20 0 DCADHL O=C([O-])C1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001593017271 1167689392 /nfs/dbraw/zinc/68/93/92/1167689392.db2.gz SQFZKOWGTFSMOW-UHFFFAOYSA-N -2 3 320.284 0.992 20 0 DCADHL O=C([O-])C1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001593017271 1167689394 /nfs/dbraw/zinc/68/93/94/1167689394.db2.gz SQFZKOWGTFSMOW-UHFFFAOYSA-N -2 3 320.284 0.992 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@@H](C)CC(=O)[O-])CC2)n1 ZINC001600064010 1168109958 /nfs/dbraw/zinc/10/99/58/1168109958.db2.gz DWGAGYRYWKQLEB-VIFPVBQESA-N -2 3 322.365 0.686 20 0 DCADHL Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC001600387135 1168177633 /nfs/dbraw/zinc/17/76/33/1168177633.db2.gz UYQGWKALDRDLLL-QMMMGPOBSA-N -2 3 315.303 0.891 20 0 DCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001600623938 1168217855 /nfs/dbraw/zinc/21/78/55/1168217855.db2.gz QWVOKCXUOUNGPL-IONNQARKSA-N -2 3 320.754 0.564 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@H]2C)c1C(=O)[O-] ZINC001600673877 1168242611 /nfs/dbraw/zinc/24/26/11/1168242611.db2.gz WJCPVVVZQDNCJX-XVYDVKMFSA-N -2 3 317.367 0.508 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H](CF)C(=O)[O-] ZINC001600891096 1168496324 /nfs/dbraw/zinc/49/63/24/1168496324.db2.gz UWCIFKLCKOUXEG-SECBINFHSA-N -2 3 322.296 0.704 20 0 DCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1F)C1CCOCC1 ZINC001601678383 1168811009 /nfs/dbraw/zinc/81/10/09/1168811009.db2.gz BKUHMOLHMYSQGQ-JTQLQIEISA-N -2 3 318.326 0.379 20 0 DCADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1ccco1)CCO2 ZINC001601788738 1168898399 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O=C([O-])c1nscc1S(=O)(=O)[N-]CCC1(CO)CC1 ZINC001602588736 1169127831 /nfs/dbraw/zinc/12/78/31/1169127831.db2.gz JWJOWOODWOXHCV-UHFFFAOYSA-N -2 3 306.365 0.282 20 0 DCADHL CC(=O)N[C@@H](CSCCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC001603056245 1169240281 /nfs/dbraw/zinc/24/02/81/1169240281.db2.gz FLYXFGPAQKNVQD-ZETCQYMHSA-N -2 3 316.301 0.378 20 0 DCADHL CC(C)C1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)COC1 ZINC001603236536 1169278723 /nfs/dbraw/zinc/27/87/23/1169278723.db2.gz DTONIECDVJPQDK-UHFFFAOYSA-N -2 3 303.322 0.949 20 0 DCADHL CC(C)C1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)COC1 ZINC001603236536 1169278729 /nfs/dbraw/zinc/27/87/29/1169278729.db2.gz DTONIECDVJPQDK-UHFFFAOYSA-N -2 3 303.322 0.949 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001604616390 1169632280 /nfs/dbraw/zinc/63/22/80/1169632280.db2.gz SQLIPRSSSUJEGU-CYBMUJFWSA-N -2 3 317.345 0.946 20 0 DCADHL C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])O1 ZINC001604699622 1169658707 /nfs/dbraw/zinc/65/87/07/1169658707.db2.gz AGXJCEHTNYBZBL-NKWVEPMBSA-N -2 3 306.365 0.687 20 0 DCADHL CC[C@H](COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC001605050541 1169794998 /nfs/dbraw/zinc/79/49/98/1169794998.db2.gz YXWLTOIQKCDSLZ-MRVPVSSYSA-N -2 3 319.335 0.764 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2cc(-c3nnn[n-]3)cc(C)n2)C1 ZINC001605065091 1169802983 /nfs/dbraw/zinc/80/29/83/1169802983.db2.gz NSEKFQOCACELCC-CQSZACIVSA-N -2 3 318.337 0.498 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2cc(-c3nn[n-]n3)cc(C)n2)C1 ZINC001605065091 1169802988 /nfs/dbraw/zinc/80/29/88/1169802988.db2.gz NSEKFQOCACELCC-CQSZACIVSA-N -2 3 318.337 0.498 20 0 DCADHL CC[C@]1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1 ZINC001605146690 1169847807 /nfs/dbraw/zinc/84/78/07/1169847807.db2.gz GMDMUSKMEXHPJE-NSHDSACASA-N -2 3 303.340 0.264 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC001605176878 1169857984 /nfs/dbraw/zinc/85/79/84/1169857984.db2.gz NQOFVQBAVFQFQG-SSDOTTSWSA-N -2 3 320.309 0.718 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC001605176878 1169858000 /nfs/dbraw/zinc/85/80/00/1169858000.db2.gz NQOFVQBAVFQFQG-SSDOTTSWSA-N -2 3 320.309 0.718 20 0 DCADHL COc1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001605294250 1169889112 /nfs/dbraw/zinc/88/91/12/1169889112.db2.gz DGNSTEJNEXPNMI-UHFFFAOYSA-N -2 3 305.294 0.925 20 0 DCADHL COc1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001605294250 1169889115 /nfs/dbraw/zinc/88/91/15/1169889115.db2.gz DGNSTEJNEXPNMI-UHFFFAOYSA-N -2 3 305.294 0.925 20 0 DCADHL CCOC(=O)c1nc(CNC(=O)c2ccnc(C(=O)[O-])c2)n[n-]1 ZINC001605581456 1169964755 /nfs/dbraw/zinc/96/47/55/1169964755.db2.gz VQWLVGLYHNWZFX-UHFFFAOYSA-N -2 3 319.277 0.005 20 0 DCADHL CCOC(=O)c1nnc(CNC(=O)c2ccnc(C(=O)[O-])c2)[n-]1 ZINC001605581456 1169964758 /nfs/dbraw/zinc/96/47/58/1169964758.db2.gz VQWLVGLYHNWZFX-UHFFFAOYSA-N -2 3 319.277 0.005 20 0 DCADHL CCn1cc(S(=O)(=O)[N-]C[C@@H]2[C@H](C(=O)[O-])C2(F)F)nc1C ZINC001605925109 1170028161 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COc1cc(C(=O)NCCSCC(=O)[O-])cc(OC)c1[O-] ZINC001607079818 1170381606 /nfs/dbraw/zinc/38/16/06/1170381606.db2.gz MWOSCEDKVSOBRO-UHFFFAOYSA-N -2 3 315.347 0.957 20 0 DCADHL O=c1[n-]c([C@H]2CCCN(Cc3ccc(-c4nnn[n-]4)o3)C2)n[nH]1 ZINC001607090825 1170390851 /nfs/dbraw/zinc/39/08/51/1170390851.db2.gz XKTJOOGVCUSREN-QMMMGPOBSA-N -2 3 316.325 0.663 20 0 DCADHL O=c1cc(CSCCCO)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607107824 1170401039 /nfs/dbraw/zinc/40/10/39/1170401039.db2.gz RWFDBFFGFDAMMD-UHFFFAOYSA-N -2 3 307.339 0.231 20 0 DCADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H](C(=O)[O-])O1 ZINC001607433010 1170452185 /nfs/dbraw/zinc/45/21/85/1170452185.db2.gz JBERCSYJOBMJNA-PELKAZGASA-N -2 3 312.297 0.915 20 0 DCADHL Cc1oc(C(=O)[O-])cc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001608034109 1170553921 /nfs/dbraw/zinc/55/39/21/1170553921.db2.gz GZRGPUVSUOSRBD-UHFFFAOYSA-N -2 3 303.274 0.980 20 0 DCADHL O=C([O-])c1cccc(CC(=O)Nc2n[n-]c(SCCO)n2)c1 ZINC001608366032 1170659642 /nfs/dbraw/zinc/65/96/42/1170659642.db2.gz HKIPLPAFIOZKMF-UHFFFAOYSA-N -2 3 322.346 0.769 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)c1cccc2n[n-]nc21)[C@@H]1CCOC1 ZINC001608418276 1170674594 /nfs/dbraw/zinc/67/45/94/1170674594.db2.gz RWSBXEODDSYOKQ-SCZZXKLOSA-N -2 3 304.306 0.425 20 0 DCADHL O=C([O-])[C@@H](O)C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC001608554136 1170700525 /nfs/dbraw/zinc/70/05/25/1170700525.db2.gz FOHDRQJZSSSRJV-ZDUSSCGKSA-N -2 3 323.301 0.419 20 0 DCADHL O=C([O-])CC1(CS(=O)(=O)[N-]Cc2noc(C3CC3)n2)CC1 ZINC001608681891 1170735715 /nfs/dbraw/zinc/73/57/15/1170735715.db2.gz UHLISBJNZLZPLG-UHFFFAOYSA-N -2 3 315.351 0.621 20 0 DCADHL O=C([O-])Cn1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)n1 ZINC001608799216 1170757150 /nfs/dbraw/zinc/75/71/50/1170757150.db2.gz BWYBKRKYJZMBQN-UHFFFAOYSA-N -2 3 303.200 0.962 20 0 DCADHL O=C([O-])Cn1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)n1 ZINC001608799216 1170757153 /nfs/dbraw/zinc/75/71/53/1170757153.db2.gz BWYBKRKYJZMBQN-UHFFFAOYSA-N -2 3 303.200 0.962 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609216906 1170873679 /nfs/dbraw/zinc/87/36/79/1170873679.db2.gz PODICZSPGAGOIU-UHFFFAOYSA-N -2 3 308.273 0.402 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609216906 1170873685 /nfs/dbraw/zinc/87/36/85/1170873685.db2.gz PODICZSPGAGOIU-UHFFFAOYSA-N -2 3 308.273 0.402 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001609216715 1170875674 /nfs/dbraw/zinc/87/56/74/1170875674.db2.gz CRLGSJPINWYGAM-UHFFFAOYSA-N -2 3 324.728 0.916 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001609216715 1170875685 /nfs/dbraw/zinc/87/56/85/1170875685.db2.gz CRLGSJPINWYGAM-UHFFFAOYSA-N -2 3 324.728 0.916 20 0 DCADHL CCc1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001609254219 1170897466 /nfs/dbraw/zinc/89/74/66/1170897466.db2.gz QDIXKVQVYBGISW-UHFFFAOYSA-N -2 3 320.338 0.348 20 0 DCADHL CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001609989910 1171132162 /nfs/dbraw/zinc/13/21/62/1171132162.db2.gz RAGSKFUZYYINIO-SSDOTTSWSA-N -2 3 318.351 0.431 20 0 DCADHL COC(=O)C1([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CCCC1 ZINC001610156548 1171181510 /nfs/dbraw/zinc/18/15/10/1171181510.db2.gz NETHTQGKLNHJAX-UHFFFAOYSA-N -2 3 307.368 0.502 20 0 DCADHL CO[C@H]1CCN(C(=O)c2cc3c(cc2[O-])OCO3)[C@@H](C(=O)[O-])C1 ZINC001610238390 1171203532 /nfs/dbraw/zinc/20/35/32/1171203532.db2.gz VXRYHEUIEBTYAM-WCBMZHEXSA-N -2 3 323.301 0.825 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O)c1C(=O)[O-] ZINC001610550141 1171252753 /nfs/dbraw/zinc/25/27/53/1171252753.db2.gz YYUGHALUFBTWIM-RNFRBKRXSA-N -2 3 305.356 0.102 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](C)C[C@H](C)O)c1C(=O)[O-] ZINC001610550139 1171253091 /nfs/dbraw/zinc/25/30/91/1171253091.db2.gz YYUGHALUFBTWIM-BQBZGAKWSA-N -2 3 305.356 0.102 20 0 DCADHL O=C(C[N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)OCC1CC1 ZINC001610666580 1171286483 /nfs/dbraw/zinc/28/64/83/1171286483.db2.gz WXRFZTTWICZGJE-UHFFFAOYSA-N -2 3 305.352 0.114 20 0 DCADHL O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCc3c(=O)[n-]cnc3C2)C1 ZINC001610740316 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418063635 /nfs/dbraw/zinc/06/36/35/418063635.db2.gz JDUDGWPNFQQAHV-UHFFFAOYSA-N -2 3 310.339 0.764 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])cn1C ZINC000647928350 418076803 /nfs/dbraw/zinc/07/68/03/418076803.db2.gz JVBVUWUPKQLQSS-NSHDSACASA-N -2 3 324.362 0.098 20 0 DCADHL O=C(c1cccc2[n-]nnc21)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000648893599 418171515 /nfs/dbraw/zinc/17/15/15/418171515.db2.gz KWGLWIHJDUDYHO-QMMMGPOBSA-N -2 3 313.321 0.801 20 0 DCADHL O=C(c1cccc2nn[n-]c21)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000648893599 418171518 /nfs/dbraw/zinc/17/15/18/418171518.db2.gz KWGLWIHJDUDYHO-QMMMGPOBSA-N -2 3 313.321 0.801 20 0 DCADHL O=C(c1cccc2n[n-]nc21)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000648893599 418171520 /nfs/dbraw/zinc/17/15/20/418171520.db2.gz KWGLWIHJDUDYHO-QMMMGPOBSA-N -2 3 313.321 0.801 20 0 DCADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000656163305 418332745 /nfs/dbraw/zinc/33/27/45/418332745.db2.gz UXRGCGHDDNKKMN-SECBINFHSA-N -2 3 307.347 0.630 20 0 DCADHL C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000656180734 418334357 /nfs/dbraw/zinc/33/43/57/418334357.db2.gz KVDIHIVPXNUABE-QMMMGPOBSA-N -2 3 310.335 0.412 20 0 DCADHL C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000656520696 418359587 /nfs/dbraw/zinc/35/95/87/418359587.db2.gz QNYBVOGNNBVVDX-ZWNOBZJWSA-N -2 3 323.374 0.955 20 0 DCADHL COC[C@@H](CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])OC ZINC000656717117 418371441 /nfs/dbraw/zinc/37/14/41/418371441.db2.gz KMTMMEPTQLVCQP-SSDOTTSWSA-N -2 3 324.380 0.171 20 0 DCADHL COCCOCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000234824845 261154928 /nfs/dbraw/zinc/15/49/28/261154928.db2.gz SXLFKFDWQCZMOC-UHFFFAOYSA-N -2 3 324.380 0.173 20 0 DCADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000362957442 262089457 /nfs/dbraw/zinc/08/94/57/262089457.db2.gz GGXLOJMVSUMAQV-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000362957442 262089461 /nfs/dbraw/zinc/08/94/61/262089461.db2.gz GGXLOJMVSUMAQV-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000515839207 287658383 /nfs/dbraw/zinc/65/83/83/287658383.db2.gz CJPNYJFCPUJOAG-SSDOTTSWSA-N -2 3 322.408 0.917 20 0 DCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)[C@H]1CCOC1 ZINC000547880521 288088335 /nfs/dbraw/zinc/08/83/35/288088335.db2.gz OCPWJGNSFPVBKN-XVKPBYJWSA-N -2 3 320.754 0.503 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000547898462 288089610 /nfs/dbraw/zinc/08/96/10/288089610.db2.gz GCAARWGEHDFIRR-UHFFFAOYSA-N -2 3 322.364 0.319 20 0 DCADHL Cc1n[nH]cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000551912311 288244159 /nfs/dbraw/zinc/24/41/59/288244159.db2.gz WQZJIJNAIVLDOY-LURJTMIESA-N -2 3 315.273 0.650 20 0 DCADHL C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1C(=O)[O-] ZINC000564967895 288798591 /nfs/dbraw/zinc/79/85/91/288798591.db2.gz VCGJSPHWYPNIDS-PRHODGIISA-N -2 3 316.313 0.896 20 0 DCADHL C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000397855809 337292435 /nfs/dbraw/zinc/29/24/35/337292435.db2.gz UVOHAKJSPVEMPI-RNFRBKRXSA-N -2 3 308.381 0.527 20 0 DCADHL Cn1nncc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001608167650 1159801023 /nfs/dbraw/zinc/80/10/23/1159801023.db2.gz HNNLSVCQEFJKCN-UHFFFAOYSA-N -2 3 320.714 0.238 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000262486098 525580172 /nfs/dbraw/zinc/58/01/72/525580172.db2.gz FLPUFGQPWMRUIS-RQJHMYQMSA-N -2 3 306.365 0.004 20 0 DCADHL C[C@](C[N-]S(=O)(=O)c1cccs1)(CC(=O)[O-])C(=O)[O-] ZINC000170313215 545880335 /nfs/dbraw/zinc/88/03/35/545880335.db2.gz IGGXLJRUAFTFNQ-SNVBAGLBSA-N -3 3 307.349 0.592 20 0 DCADHL C[C@@](C[N-]S(=O)(=O)c1cccs1)(CC(=O)[O-])C(=O)[O-] ZINC000170313213 545881208 /nfs/dbraw/zinc/88/12/08/545881208.db2.gz IGGXLJRUAFTFNQ-JTQLQIEISA-N -3 3 307.349 0.592 20 0 DCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000235724522 545951228 /nfs/dbraw/zinc/95/12/28/545951228.db2.gz ZEAQQTMXOWWMKV-BQBZGAKWSA-N -2 3 306.365 0.687 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000678933682 548017257 /nfs/dbraw/zinc/01/72/57/548017257.db2.gz UZJDUCWVYPJWFP-UHFFFAOYSA-N -2 3 304.262 0.098 20 0 DCADHL COc1nc([N-]C(=O)c2csc(-c3ncccn3)n2)n[n-]1 ZINC000679320526 548043962 /nfs/dbraw/zinc/04/39/62/548043962.db2.gz XDOFIMBMROICCL-UHFFFAOYSA-N -2 3 303.307 0.979 20 0 DCADHL CC[C@@H](C[N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000681570322 548265323 /nfs/dbraw/zinc/26/53/23/548265323.db2.gz GFBCDKBUPCYFGJ-JTQLQIEISA-N -2 3 303.384 0.928 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1CC1 ZINC000737297526 598976036 /nfs/dbraw/zinc/97/60/36/598976036.db2.gz AUSUTVVJQMLYCT-UHFFFAOYSA-N -2 3 321.362 0.780 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1CC1 ZINC000737297526 598976038 /nfs/dbraw/zinc/97/60/38/598976038.db2.gz AUSUTVVJQMLYCT-UHFFFAOYSA-N -2 3 321.362 0.780 20 0 DCADHL C[C@H](O)[C@H](C)SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC000820467316 599130241 /nfs/dbraw/zinc/13/02/41/599130241.db2.gz DKFSPHGKJRFADM-BQBZGAKWSA-N -2 3 321.366 0.618 20 0 DCADHL Cn1nccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737628733 598438671 /nfs/dbraw/zinc/43/86/71/598438671.db2.gz PHHXHDYPYZUONY-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1nccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737628733 598438672 /nfs/dbraw/zinc/43/86/72/598438672.db2.gz PHHXHDYPYZUONY-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736496965 599617587 /nfs/dbraw/zinc/61/75/87/599617587.db2.gz AFULURNKTVVVNF-FPLPWBNLSA-N -2 3 321.362 0.736 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736496965 599617589 /nfs/dbraw/zinc/61/75/89/599617589.db2.gz AFULURNKTVVVNF-FPLPWBNLSA-N -2 3 321.362 0.736 20 0 DCADHL O=C([O-])Cn1ccc(NC(=O)c2nnc3ccccc3c2[O-])n1 ZINC000739920518 600362644 /nfs/dbraw/zinc/36/26/44/600362644.db2.gz PXGUZAGCYJOMOW-UHFFFAOYSA-N -2 3 313.273 0.869 20 0 DCADHL CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000736473382 600519030 /nfs/dbraw/zinc/51/90/30/600519030.db2.gz CUKGTGYOIATAGT-MRVPVSSYSA-N -2 3 316.335 0.265 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2ccc(C(=O)[O-])s2)n[n-]1 ZINC000737631988 600534560 /nfs/dbraw/zinc/53/45/60/600534560.db2.gz ZKIAQXFFFOOKME-UHFFFAOYSA-N -2 3 310.291 0.532 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000833027172 601223394 /nfs/dbraw/zinc/22/33/94/601223394.db2.gz DUZKUAGZSRQRSA-VXNVDRBHSA-N -2 3 303.336 0.990 20 0 DCADHL CNC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000044994152 601230993 /nfs/dbraw/zinc/23/09/93/601230993.db2.gz VBGDULIZGSLEPT-UHFFFAOYSA-N -2 3 322.289 0.077 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000831077976 601389659 /nfs/dbraw/zinc/38/96/59/601389659.db2.gz GKPRVBKHQUKSJV-SECBINFHSA-N -2 3 303.292 0.208 20 0 DCADHL O=C([O-])CC1(CS(=O)(=O)[N-]Cc2nc(C3CC3)no2)CC1 ZINC000833203525 601511109 /nfs/dbraw/zinc/51/11/09/601511109.db2.gz ISEXUSNCDJLTNN-UHFFFAOYSA-N -2 3 315.351 0.621 20 0 DCADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000767214939 601655843 /nfs/dbraw/zinc/65/58/43/601655843.db2.gz SSCXDKKBWZKFHF-CQSZACIVSA-N -2 3 305.265 0.974 20 0 DCADHL CC(C)C[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)OC(C)C ZINC000826909566 601791180 /nfs/dbraw/zinc/79/11/80/601791180.db2.gz DUWBRLMIOMZDSQ-MNOVXSKESA-N -2 3 323.411 0.993 20 0 DCADHL CCC[C@](C)([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000829202715 602205340 /nfs/dbraw/zinc/20/53/40/602205340.db2.gz QQZDBNLVTXJJGR-JTQLQIEISA-N -2 3 309.775 0.995 20 0 DCADHL C[C@@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)CCN1C(=O)[O-] ZINC000825983862 603876075 /nfs/dbraw/zinc/87/60/75/603876075.db2.gz QCCFMRROWTWMJG-SNVBAGLBSA-N -2 3 321.333 0.333 20 0 DCADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829822806 604410148 /nfs/dbraw/zinc/41/01/48/604410148.db2.gz NKYXUOJLLVFNCX-ZETCQYMHSA-N -2 3 319.335 0.764 20 0 DCADHL O=C([O-])N1CCO[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000831810041 604742139 /nfs/dbraw/zinc/74/21/39/604742139.db2.gz GYHUBQRWMVNXOI-VIFPVBQESA-N -2 3 318.293 0.184 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C)cn1 ZINC000833747287 604874211 /nfs/dbraw/zinc/87/42/11/604874211.db2.gz VCMGCLAWSICVMN-UHFFFAOYSA-N -2 3 310.335 0.202 20 0 DCADHL COc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1[O-] ZINC000820759051 605041122 /nfs/dbraw/zinc/04/11/22/605041122.db2.gz COEKWRCJGRRPSV-LLVKDONJSA-N -2 3 311.290 0.335 20 0 DCADHL NC(=O)CO[N-]C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833761433 605169576 /nfs/dbraw/zinc/16/95/76/605169576.db2.gz AMBKCYYKQHNOJJ-UHFFFAOYSA-N -2 3 322.321 0.523 20 0 DCADHL C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1[O-])[C@H]1CN(C)CCO1 ZINC000825464967 605296784 /nfs/dbraw/zinc/29/67/84/605296784.db2.gz HARYGKHNGKSMDB-NOZJJQNGSA-N -2 3 323.349 0.931 20 0 DCADHL C[C@@H](COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)NC(=O)[O-] ZINC000824980051 605405613 /nfs/dbraw/zinc/40/56/13/605405613.db2.gz JOQZCIJNGPGEKJ-JGVFFNPUSA-N -2 3 310.372 0.150 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820577337 606758240 /nfs/dbraw/zinc/75/82/40/606758240.db2.gz OQIGNNPSYRBBGL-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820577337 606758238 /nfs/dbraw/zinc/75/82/38/606758238.db2.gz OQIGNNPSYRBBGL-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820577667 606758336 /nfs/dbraw/zinc/75/83/36/606758336.db2.gz TUQDXOWWJLUWNW-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820577667 606758337 /nfs/dbraw/zinc/75/83/37/606758337.db2.gz TUQDXOWWJLUWNW-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821170272 607104499 /nfs/dbraw/zinc/10/44/99/607104499.db2.gz OTFMMCVBSGRMNN-VIFPVBQESA-N -2 3 319.321 0.567 20 0 DCADHL CCN(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821170272 607104500 /nfs/dbraw/zinc/10/45/00/607104500.db2.gz OTFMMCVBSGRMNN-VIFPVBQESA-N -2 3 319.321 0.567 20 0 DCADHL CCn1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cn1 ZINC000825804736 608107543 /nfs/dbraw/zinc/10/75/43/608107543.db2.gz FQGVTTNKVJGISZ-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL COc1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826217231 608307466 /nfs/dbraw/zinc/30/74/66/608307466.db2.gz CWJOWZZHZSUVNO-UHFFFAOYSA-N -2 3 321.322 0.399 20 0 DCADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826240758 608307532 /nfs/dbraw/zinc/30/75/32/608307532.db2.gz GQBDYNXJCPSBEM-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL CCc1nc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000825750023 609342945 /nfs/dbraw/zinc/34/29/45/609342945.db2.gz INDKYSLPYUWOCT-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CCc1nc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000825750023 609342946 /nfs/dbraw/zinc/34/29/46/609342946.db2.gz INDKYSLPYUWOCT-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1F ZINC000926480991 658930719 /nfs/dbraw/zinc/93/07/19/658930719.db2.gz GPVSERUECKPCCM-MRVPVSSYSA-N -2 3 313.253 0.674 20 0 DCADHL C[C@@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC000986168266 662563831 /nfs/dbraw/zinc/56/38/31/662563831.db2.gz FXQZOVGHWQPMIH-BDAKNGLRSA-N -2 3 318.337 0.004 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])s1 ZINC000863411071 667140518 /nfs/dbraw/zinc/14/05/18/667140518.db2.gz SZARDMRDYKFQDR-SSDOTTSWSA-N -2 3 306.365 0.416 20 0 DCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C/C=C/C(=O)[O-] ZINC000788446616 669440274 /nfs/dbraw/zinc/44/02/74/669440274.db2.gz NTYCRZIPCXFENG-ZZXKWVIFSA-N -2 3 317.294 0.531 20 0 DCADHL O=C([N-]N1CCCNC1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826444359 671488385 /nfs/dbraw/zinc/48/83/85/671488385.db2.gz CBHIGFKXZVHMEK-UHFFFAOYSA-N -2 3 323.263 0.205 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1F ZINC000837295547 671855354 /nfs/dbraw/zinc/85/53/54/671855354.db2.gz UXJVAOIWCUKINJ-SECBINFHSA-N -2 3 323.273 0.313 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccncn2)C(=O)[O-])o1 ZINC000844800786 672204077 /nfs/dbraw/zinc/20/40/77/672204077.db2.gz CKUUVGFKHLNHTJ-JTQLQIEISA-N -2 3 311.319 0.352 20 0 DCADHL CC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC ZINC001609921262 1159829034 /nfs/dbraw/zinc/82/90/34/1159829034.db2.gz ULPKDOJZRJEQNJ-LURJTMIESA-N -2 3 322.364 0.319 20 0 DCADHL CC1(C)CCC[C@@H](CS(=O)(=O)[N-]C2(CC(=O)[O-])COC2)O1 ZINC001573609020 1163515556 /nfs/dbraw/zinc/51/55/56/1163515556.db2.gz LHPGQPHBUPTXPT-JTQLQIEISA-N -2 3 321.395 0.497 20 0 DCADHL CCOC(=O)c1nc([C@H](C)NCc2cccc(C(=O)[O-])n2)n[n-]1 ZINC001573793687 1163555041 /nfs/dbraw/zinc/55/50/41/1163555041.db2.gz NZWOYGZROLWLKB-QMMMGPOBSA-N -2 3 319.321 0.925 20 0 DCADHL CCOC(=O)c1nnc([C@H](C)NCc2cccc(C(=O)[O-])n2)[n-]1 ZINC001573793687 1163555049 /nfs/dbraw/zinc/55/50/49/1163555049.db2.gz NZWOYGZROLWLKB-QMMMGPOBSA-N -2 3 319.321 0.925 20 0 DCADHL CCOC(=O)c1n[n-]c([C@H](C)NCc2cccc(C(=O)[O-])n2)n1 ZINC001573793687 1163555053 /nfs/dbraw/zinc/55/50/53/1163555053.db2.gz NZWOYGZROLWLKB-QMMMGPOBSA-N -2 3 319.321 0.925 20 0 DCADHL Cc1[nH]c(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(C)c1C(=O)[O-] ZINC001574111255 1163637797 /nfs/dbraw/zinc/63/77/97/1163637797.db2.gz PIGASMYWVABPNQ-UHFFFAOYSA-N -2 3 306.278 0.461 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]Cc1nc(C)c(C(=O)[O-])s1 ZINC001574206927 1163663397 /nfs/dbraw/zinc/66/33/97/1163663397.db2.gz WUEJLJZPFYJSMX-UHFFFAOYSA-N -2 3 317.348 0.925 20 0 DCADHL O=C([O-])c1cnc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001574417292 1163717298 /nfs/dbraw/zinc/71/72/98/1163717298.db2.gz JEHXCIYAJBTSOI-QMMMGPOBSA-N -2 3 302.294 0.361 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001574418062 1163718054 /nfs/dbraw/zinc/71/80/54/1163718054.db2.gz UCSDBZSBOWMMHF-SCZZXKLOSA-N -2 3 315.351 0.344 20 0 DCADHL Cc1c(C(=O)N(C)Cc2nc(=O)o[n-]2)cccc1-c1nnn[n-]1 ZINC001580527148 1165631106 /nfs/dbraw/zinc/63/11/06/1165631106.db2.gz BPIKMJHRIRFRFN-UHFFFAOYSA-N -2 3 315.293 0.124 20 0 DCADHL Cc1c(C(=O)N(C)Cc2nc(=O)o[n-]2)cccc1-c1nn[n-]n1 ZINC001580527148 1165631107 /nfs/dbraw/zinc/63/11/07/1165631107.db2.gz BPIKMJHRIRFRFN-UHFFFAOYSA-N -2 3 315.293 0.124 20 0 DCADHL O=C([N-]n1ccccc1=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001582654290 1166061512 /nfs/dbraw/zinc/06/15/12/1166061512.db2.gz CWHJSIFSASCAOT-UHFFFAOYSA-N -2 3 318.243 0.691 20 0 DCADHL O=C([N-]n1ccccc1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001582654290 1166061517 /nfs/dbraw/zinc/06/15/17/1166061517.db2.gz CWHJSIFSASCAOT-UHFFFAOYSA-N -2 3 318.243 0.691 20 0 DCADHL CC(=O)c1ccc(-c2nn[n-]n2)cc1NC[C@@](C)(O)C(=O)[O-] ZINC001588909657 1166616897 /nfs/dbraw/zinc/61/68/97/1166616897.db2.gz HGDOFLMGJXYEPB-CYBMUJFWSA-N -2 3 305.294 0.317 20 0 DCADHL C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589858455 1166700428 /nfs/dbraw/zinc/70/04/28/1166700428.db2.gz QSPUITYMDPRLPO-DTWKUNHWSA-N -2 3 318.337 0.948 20 0 DCADHL C[C@](O)(C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001590009143 1166753789 /nfs/dbraw/zinc/75/37/89/1166753789.db2.gz AVMOXSUITGFTKC-CQSZACIVSA-N -2 3 303.322 0.828 20 0 DCADHL C[C@](O)(C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001590009143 1166753795 /nfs/dbraw/zinc/75/37/95/1166753795.db2.gz AVMOXSUITGFTKC-CQSZACIVSA-N -2 3 303.322 0.828 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001591387175 1167256875 /nfs/dbraw/zinc/25/68/75/1167256875.db2.gz RAZYGXAYVQSSIJ-ZDUSSCGKSA-N -2 3 322.300 0.328 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001591387175 1167256879 /nfs/dbraw/zinc/25/68/79/1167256879.db2.gz RAZYGXAYVQSSIJ-ZDUSSCGKSA-N -2 3 322.300 0.328 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001591494633 1167313965 /nfs/dbraw/zinc/31/39/65/1167313965.db2.gz MNMQAPOPYNVYMM-SFYZADRCSA-N -2 3 303.278 0.535 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001591494633 1167313972 /nfs/dbraw/zinc/31/39/72/1167313972.db2.gz MNMQAPOPYNVYMM-SFYZADRCSA-N -2 3 303.278 0.535 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC001592110760 1167458364 /nfs/dbraw/zinc/45/83/64/1167458364.db2.gz XPJTTWRDGGNGRL-NSCUHMNNSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC001592110760 1167458366 /nfs/dbraw/zinc/45/83/66/1167458366.db2.gz XPJTTWRDGGNGRL-NSCUHMNNSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1ccnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001592275685 1167482437 /nfs/dbraw/zinc/48/24/37/1167482437.db2.gz UHQKZKTXRMGNIC-UHFFFAOYSA-N -2 3 318.322 0.161 20 0 DCADHL Cc1ccnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001592275685 1167482455 /nfs/dbraw/zinc/48/24/55/1167482455.db2.gz UHQKZKTXRMGNIC-UHFFFAOYSA-N -2 3 318.322 0.161 20 0 DCADHL Cc1nc(N2CCO[C@](C)(C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592372261 1167506259 /nfs/dbraw/zinc/50/62/59/1167506259.db2.gz BOXNXLFWWCBQMN-ZDUSSCGKSA-N -2 3 304.310 0.250 20 0 DCADHL Cc1nc(N2CCO[C@](C)(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592372261 1167506268 /nfs/dbraw/zinc/50/62/68/1167506268.db2.gz BOXNXLFWWCBQMN-ZDUSSCGKSA-N -2 3 304.310 0.250 20 0 DCADHL Cn1cccc1C(=O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592581957 1167570062 /nfs/dbraw/zinc/57/00/62/1167570062.db2.gz UBYCIKVVTWTJBM-UHFFFAOYSA-N -2 3 312.289 0.498 20 0 DCADHL Cn1cccc1C(=O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592581957 1167570068 /nfs/dbraw/zinc/57/00/68/1167570068.db2.gz UBYCIKVVTWTJBM-UHFFFAOYSA-N -2 3 312.289 0.498 20 0 DCADHL O=C(NCc1ccc(-c2nnn[n-]2)s1)c1ncccc1[O-] ZINC001593137145 1167720160 /nfs/dbraw/zinc/72/01/60/1167720160.db2.gz OYBVFAPCGVNBHH-UHFFFAOYSA-N -2 3 302.319 0.959 20 0 DCADHL O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ncccc1[O-] ZINC001593137145 1167720167 /nfs/dbraw/zinc/72/01/67/1167720167.db2.gz OYBVFAPCGVNBHH-UHFFFAOYSA-N -2 3 302.319 0.959 20 0 DCADHL O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cncc([O-])c1 ZINC001593153188 1167728825 /nfs/dbraw/zinc/72/88/25/1167728825.db2.gz YUMKVJGZKZBXCK-UHFFFAOYSA-N -2 3 303.307 0.354 20 0 DCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2sccc2-c2nnn[n-]2)O1 ZINC001593273357 1167748544 /nfs/dbraw/zinc/74/85/44/1167748544.db2.gz FUFHVUAFJMAYLH-BQBZGAKWSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2sccc2-c2nn[n-]n2)O1 ZINC001593273357 1167748549 /nfs/dbraw/zinc/74/85/49/1167748549.db2.gz FUFHVUAFJMAYLH-BQBZGAKWSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001593275553 1167752395 /nfs/dbraw/zinc/75/23/95/1167752395.db2.gz GADVADHZTYJEOS-LLVKDONJSA-N -2 3 318.337 0.801 20 0 DCADHL O=C([O-])[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001593275553 1167752397 /nfs/dbraw/zinc/75/23/97/1167752397.db2.gz GADVADHZTYJEOS-LLVKDONJSA-N -2 3 318.337 0.801 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](CO)CC(F)F)oc1C(=O)[O-] ZINC001600296545 1168157933 /nfs/dbraw/zinc/15/79/33/1168157933.db2.gz ASYFEBKNDYBUCE-LURJTMIESA-N -2 3 313.278 0.581 20 0 DCADHL Cc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001600339704 1168168654 /nfs/dbraw/zinc/16/86/54/1168168654.db2.gz VUJSNJOCVAMULU-LLVKDONJSA-N -2 3 303.318 0.935 20 0 DCADHL Cn1nc(Br)cc1CN(CCC(=O)[O-])CC(=O)[O-] ZINC001600999117 1168554618 /nfs/dbraw/zinc/55/46/18/1168554618.db2.gz OZWRQBHFWVHUOE-UHFFFAOYSA-N -2 3 320.143 0.544 20 0 DCADHL O=C(C[N-]S(=O)(=O)CC1(C(=O)[O-])CC1)OC1CCCCC1 ZINC001601327533 1168710866 /nfs/dbraw/zinc/71/08/66/1168710866.db2.gz PZCLDFNWVYTWGF-UHFFFAOYSA-N -2 3 319.379 0.647 20 0 DCADHL O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601549991 1168781118 /nfs/dbraw/zinc/78/11/18/1168781118.db2.gz XILMPPNXGUUDQD-URHBZAFASA-N -2 3 307.232 0.486 20 0 DCADHL O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001601768088 1168864666 /nfs/dbraw/zinc/86/46/66/1168864666.db2.gz HGYFMDNAMIPLHE-IUCAKERBSA-N -2 3 317.301 0.243 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC001602588081 1169127763 /nfs/dbraw/zinc/12/77/63/1169127763.db2.gz JSLPUHLJBBDHRB-RNFRBKRXSA-N -2 3 306.365 0.423 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1CCC(=O)CC1 ZINC001602638457 1169139364 /nfs/dbraw/zinc/13/93/64/1169139364.db2.gz FRBXCYDVYBKLPF-UHFFFAOYSA-N -2 3 304.349 0.631 20 0 DCADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001603313504 1169291359 /nfs/dbraw/zinc/29/13/59/1169291359.db2.gz OSQZHCBUEYCQMV-JTQLQIEISA-N -2 3 321.395 0.748 20 0 DCADHL CC[C@@]1(C(=O)[O-])CCCN(c2c(-c3nnn[n-]3)cnn2C)C1 ZINC001604081909 1169488300 /nfs/dbraw/zinc/48/83/00/1169488300.db2.gz UAGNZYJBWIWLTN-CYBMUJFWSA-N -2 3 305.342 0.681 20 0 DCADHL CC[C@@]1(C(=O)[O-])CCCN(c2c(-c3nn[n-]n3)cnn2C)C1 ZINC001604081909 1169488307 /nfs/dbraw/zinc/48/83/07/1169488307.db2.gz UAGNZYJBWIWLTN-CYBMUJFWSA-N -2 3 305.342 0.681 20 0 DCADHL C[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604380121 1169576457 /nfs/dbraw/zinc/57/64/57/1169576457.db2.gz UDMSXUJFDWDPFB-ZCFIWIBFSA-N -2 3 308.381 0.527 20 0 DCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c2ncnn21 ZINC001604676817 1169651260 /nfs/dbraw/zinc/65/12/60/1169651260.db2.gz NAGQCKMQDZUYRT-XPUUQOCRSA-N -2 3 312.307 0.554 20 0 DCADHL CCN1C[C@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001605470693 1169931486 /nfs/dbraw/zinc/93/14/86/1169931486.db2.gz WULUAFQSGFHUGM-QMMMGPOBSA-N -2 3 316.335 0.125 20 0 DCADHL COC(=O)C(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606315507 1170156345 /nfs/dbraw/zinc/15/63/45/1170156345.db2.gz GBOWUIPTUKFRIW-UHFFFAOYSA-N -2 3 322.364 0.319 20 0 DCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001606784275 1170287352 /nfs/dbraw/zinc/28/73/52/1170287352.db2.gz MVRQCFRIYMWNSW-CYBMUJFWSA-N -2 3 310.285 0.707 20 0 DCADHL O=C([N-]N1CCCC1=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001607044225 1170366428 /nfs/dbraw/zinc/36/64/28/1170366428.db2.gz ZOCFYHJXPJAGOH-UHFFFAOYSA-N -2 3 322.275 0.612 20 0 DCADHL O=C([N-]N1CCCC1=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001607044225 1170366436 /nfs/dbraw/zinc/36/64/36/1170366436.db2.gz ZOCFYHJXPJAGOH-UHFFFAOYSA-N -2 3 322.275 0.612 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC001607559795 1170476518 /nfs/dbraw/zinc/47/65/18/1170476518.db2.gz CPMGATODQCIQSE-WDEREUQCSA-N -2 3 320.349 0.296 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)CCCn2ccc(C(=O)[O-])n2)n1 ZINC001607560212 1170476846 /nfs/dbraw/zinc/47/68/46/1170476846.db2.gz HZAGRYOIZNYDSA-UHFFFAOYSA-N -2 3 319.321 0.482 20 0 DCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001607967945 1170535585 /nfs/dbraw/zinc/53/55/85/1170535585.db2.gz NWSAQRAVIIXBNY-JGVFFNPUSA-N -2 3 311.294 0.547 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1 ZINC001608139025 1170590838 /nfs/dbraw/zinc/59/08/38/1170590838.db2.gz BFXPJTOFFRYZJL-UHFFFAOYSA-N -2 3 302.356 0.271 20 0 DCADHL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1n[n-]c(SCCO)n1 ZINC001608524606 1170695718 /nfs/dbraw/zinc/69/57/18/1170695718.db2.gz VJCVOZHEKYDKRV-JGVFFNPUSA-N -2 3 314.367 0.719 20 0 DCADHL O=C([O-])[C@H]1[C@@H](O)CCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001608595932 1170711692 /nfs/dbraw/zinc/71/16/92/1170711692.db2.gz QOYWERKVJOOXIV-WCQYABFASA-N -2 3 319.317 0.852 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001608604759 1170714927 /nfs/dbraw/zinc/71/49/27/1170714927.db2.gz NPZYMGDWISUWJD-ZJUUUORDSA-N -2 3 312.297 0.508 20 0 DCADHL O=C([O-])C1CC2(C1)CN(CC(=O)N1CCCCC1)C[C@H]2C(=O)[O-] ZINC001608610523 1170719373 /nfs/dbraw/zinc/71/93/73/1170719373.db2.gz KFPFJRPGEOONTH-BGMSHATGSA-N -2 3 324.377 0.496 20 0 DCADHL O=C([O-])CCN1CC[C@@H](N2CCC(c3n[n-]c(=O)o3)CC2)C1=O ZINC001608723563 1170744579 /nfs/dbraw/zinc/74/45/79/1170744579.db2.gz TTWOKIXUMMHLNL-SNVBAGLBSA-N -2 3 324.337 0.030 20 0 DCADHL O=C([O-])Cc1nc([N-]C(=O)c2ncn(-c3ccccc3)n2)n[nH]1 ZINC001608793643 1170754675 /nfs/dbraw/zinc/75/46/75/1170754675.db2.gz HVKDVEDFGFAKRK-UHFFFAOYSA-N -2 3 313.277 0.265 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](CO)CC2)o1 ZINC001608913431 1170771641 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CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CC)C(=O)[O-] ZINC000917720356 665141263 /nfs/dbraw/zinc/14/12/63/665141263.db2.gz NYESFNNQAIQVNM-ZETCQYMHSA-N -2 3 319.339 0.036 20 0 DCADHL COC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700710473 666755239 /nfs/dbraw/zinc/75/52/39/666755239.db2.gz OFKFZMLJQAMINV-VIFPVBQESA-N -2 3 318.123 0.984 20 0 DCADHL CCO[N-]C(=O)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000862131042 667020638 /nfs/dbraw/zinc/02/06/38/667020638.db2.gz WEVISBPXJXHZCX-UHFFFAOYSA-N -2 3 317.139 0.952 20 0 DCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000766028138 668519781 /nfs/dbraw/zinc/51/97/81/668519781.db2.gz AMYUILZROYCHHB-NSHDSACASA-N -2 3 322.409 0.875 20 0 DCADHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000045865899 669921986 /nfs/dbraw/zinc/92/19/86/669921986.db2.gz ZQIAPJGHPRKYJF-UHFFFAOYSA-N -2 3 320.392 0.056 20 0 DCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC(=O)[O-] ZINC000824731755 671438897 /nfs/dbraw/zinc/43/88/97/671438897.db2.gz YHKGUPAIOAJLJJ-SECBINFHSA-N -2 3 319.321 0.567 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(C)o1 ZINC000826272396 671482923 /nfs/dbraw/zinc/48/29/23/671482923.db2.gz HBFPYEOXDXOSAI-UHFFFAOYSA-N -2 3 309.311 0.600 20 0 DCADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837293107 671855523 /nfs/dbraw/zinc/85/55/23/671855523.db2.gz CXKZKNAJOXCEMK-MRVPVSSYSA-N -2 3 323.273 0.313 20 0 DCADHL CC[C@@H](C(=O)[O-])N(C)CC(=O)N=c1cc(C(C)(C)C)[n-]n1C ZINC000844839180 672206274 /nfs/dbraw/zinc/20/62/74/672206274.db2.gz JUDXYAVJKGNCGD-JTQLQIEISA-N -2 3 310.398 0.873 20 0 DCADHL CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])OC ZINC001573674331 1163532875 /nfs/dbraw/zinc/53/28/75/1163532875.db2.gz UGXCOSAKSGAROG-IONNQARKSA-N -2 3 319.383 0.756 20 0 DCADHL CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573675565 1163533933 /nfs/dbraw/zinc/53/39/33/1163533933.db2.gz YVOKMTHKUSGQQO-YUMQZZPRSA-N -2 3 305.356 0.183 20 0 DCADHL CC[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573686416 1163536390 /nfs/dbraw/zinc/53/63/90/1163536390.db2.gz NRALPORZXAEDOV-POYBYMJQSA-N -2 3 305.356 0.244 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC001574201383 1163662276 /nfs/dbraw/zinc/66/22/76/1163662276.db2.gz ZPYOBKAGAXMIKS-YUMQZZPRSA-N -2 3 312.351 0.425 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC001574206937 1163663681 /nfs/dbraw/zinc/66/36/81/1163663681.db2.gz WXEFUNMBUUNFOI-VIFPVBQESA-N -2 3 320.367 0.920 20 0 DCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(F)cc(F)c1[O-] ZINC001582199102 1165982239 /nfs/dbraw/zinc/98/22/39/1165982239.db2.gz DZLRXDYULJYMAT-UHFFFAOYSA-N -2 3 322.235 0.081 20 0 DCADHL O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)cc(F)c1[O-] ZINC001582199102 1165982244 /nfs/dbraw/zinc/98/22/44/1165982244.db2.gz DZLRXDYULJYMAT-UHFFFAOYSA-N -2 3 322.235 0.081 20 0 DCADHL CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCOCC(=O)[O-] ZINC001588909764 1166615658 /nfs/dbraw/zinc/61/56/58/1166615658.db2.gz KXBYURDCYNEODS-UHFFFAOYSA-N -2 3 305.294 0.582 20 0 DCADHL CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCOCC(=O)[O-] ZINC001588909764 1166615662 /nfs/dbraw/zinc/61/56/62/1166615662.db2.gz KXBYURDCYNEODS-UHFFFAOYSA-N -2 3 305.294 0.582 20 0 DCADHL CC(C)(O)CO[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001589338997 1166650018 /nfs/dbraw/zinc/65/00/18/1166650018.db2.gz RCTNFQGBLLZTOL-UHFFFAOYSA-N -2 3 307.310 0.064 20 0 DCADHL CC(C)(O)CO[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001589338997 1166650021 /nfs/dbraw/zinc/65/00/21/1166650021.db2.gz RCTNFQGBLLZTOL-UHFFFAOYSA-N -2 3 307.310 0.064 20 0 DCADHL CC(C)OCCO[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001589749231 1166683984 /nfs/dbraw/zinc/68/39/84/1166683984.db2.gz RIVIWGGEBOFVHW-UHFFFAOYSA-N -2 3 321.337 0.718 20 0 DCADHL CC(C)OCCO[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001589749231 1166683989 /nfs/dbraw/zinc/68/39/89/1166683989.db2.gz RIVIWGGEBOFVHW-UHFFFAOYSA-N -2 3 321.337 0.718 20 0 DCADHL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590214830 1166814602 /nfs/dbraw/zinc/81/46/02/1166814602.db2.gz DPOJAQJINAMMFK-KCJUWKMLSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590214830 1166814608 /nfs/dbraw/zinc/81/46/08/1166814608.db2.gz DPOJAQJINAMMFK-KCJUWKMLSA-N -2 3 321.362 0.469 20 0 DCADHL CC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590867446 1167040533 /nfs/dbraw/zinc/04/05/33/1167040533.db2.gz BVEALGVZKSPIHD-KCJUWKMLSA-N -2 3 319.321 0.613 20 0 DCADHL COCCN(CCC(=O)[O-])c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001591422620 1167278633 /nfs/dbraw/zinc/27/86/33/1167278633.db2.gz OAOPLFDILBDVTP-UHFFFAOYSA-N -2 3 306.326 0.498 20 0 DCADHL COCCN(CCC(=O)[O-])c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001591422620 1167278639 /nfs/dbraw/zinc/27/86/39/1167278639.db2.gz OAOPLFDILBDVTP-UHFFFAOYSA-N -2 3 306.326 0.498 20 0 DCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001591752662 1167366653 /nfs/dbraw/zinc/36/66/53/1167366653.db2.gz YEJBTOXKEYSUEN-UOWDBTKRSA-N -2 3 319.296 0.733 20 0 DCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591759438 1167368253 /nfs/dbraw/zinc/36/82/53/1167368253.db2.gz GZHPWLCYPRBOIG-SSDOTTSWSA-N -2 3 311.323 0.008 20 0 DCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591759438 1167368258 /nfs/dbraw/zinc/36/82/58/1167368258.db2.gz GZHPWLCYPRBOIG-SSDOTTSWSA-N -2 3 311.323 0.008 20 0 DCADHL Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1-c1nnn[n-]1 ZINC001592241108 1167476926 /nfs/dbraw/zinc/47/69/26/1167476926.db2.gz GNPBNGYPBGKBMS-UHFFFAOYSA-N -2 3 323.334 0.071 20 0 DCADHL Cc1cccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c1-c1nn[n-]n1 ZINC001592241108 1167476931 /nfs/dbraw/zinc/47/69/31/1167476931.db2.gz GNPBNGYPBGKBMS-UHFFFAOYSA-N -2 3 323.334 0.071 20 0 DCADHL Cc1nc(NC[C@@]2(C(=O)[O-])CCCOC2)ccc1-c1nnn[n-]1 ZINC001592386411 1167509784 /nfs/dbraw/zinc/50/97/84/1167509784.db2.gz RVLSKDXCQCFZSG-AWEZNQCLSA-N -2 3 318.337 0.863 20 0 DCADHL Cc1nc(NC[C@@]2(C(=O)[O-])CCCOC2)ccc1-c1nn[n-]n1 ZINC001592386411 1167509788 /nfs/dbraw/zinc/50/97/88/1167509788.db2.gz RVLSKDXCQCFZSG-AWEZNQCLSA-N -2 3 318.337 0.863 20 0 DCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)c1cc(F)c[nH]c1=O ZINC001593171082 1167730079 /nfs/dbraw/zinc/73/00/79/1167730079.db2.gz VENWOKJNIMJVKU-UHFFFAOYSA-N -2 3 316.252 0.830 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)c1cc(F)c[nH]c1=O ZINC001593171082 1167730084 /nfs/dbraw/zinc/73/00/84/1167730084.db2.gz VENWOKJNIMJVKU-UHFFFAOYSA-N -2 3 316.252 0.830 20 0 DCADHL O=C([O-])[C@]12COC[C@H]1CN(c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001593278762 1167754178 /nfs/dbraw/zinc/75/41/78/1167754178.db2.gz ACFHPGLMHPMNBL-YMTOWFKASA-N -2 3 319.296 0.543 20 0 DCADHL O=C([O-])CCC1CCN(c2ncncc2-c2nnn[n-]2)CC1 ZINC001593278257 1167755911 /nfs/dbraw/zinc/75/59/11/1167755911.db2.gz WMUWDFGBIATQFE-UHFFFAOYSA-N -2 3 303.326 0.738 20 0 DCADHL O=c1cc([C@H]2CCOC2)[n-]n1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593382443 1167796451 /nfs/dbraw/zinc/79/64/51/1167796451.db2.gz ATOIYIGFIVAPRR-LBPRGKRZSA-N -2 3 312.333 0.992 20 0 DCADHL O=c1[n-]c(CCCNc2ncc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC001593498009 1167881227 /nfs/dbraw/zinc/88/12/27/1167881227.db2.gz OXJFVZAQCOXVHW-UHFFFAOYSA-N -2 3 305.277 0.269 20 0 DCADHL O=c1[n-]c(CCCNc2ncc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC001593498009 1167881231 /nfs/dbraw/zinc/88/12/31/1167881231.db2.gz OXJFVZAQCOXVHW-UHFFFAOYSA-N -2 3 305.277 0.269 20 0 DCADHL Cc1cc(C(=O)[O-])oc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001600129522 1168124443 /nfs/dbraw/zinc/12/44/43/1168124443.db2.gz GNDZNKVVORQSGL-UHFFFAOYSA-N -2 3 319.321 0.894 20 0 DCADHL Cc1cc(C(=O)[O-])oc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001600129522 1168124450 /nfs/dbraw/zinc/12/44/50/1168124450.db2.gz GNDZNKVVORQSGL-UHFFFAOYSA-N -2 3 319.321 0.894 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC(=O)OCC2CC2)oc1C(=O)[O-] ZINC001600299631 1168162104 /nfs/dbraw/zinc/16/21/04/1168162104.db2.gz PWCXEQQFDWWMIA-UHFFFAOYSA-N -2 3 317.319 0.518 20 0 DCADHL Cc1nc(C)c(CC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c(=O)[n-]1 ZINC001600691017 1168251916 /nfs/dbraw/zinc/25/19/16/1168251916.db2.gz PAZJCWMSMKVNSI-AYVTZFPOSA-N -2 3 307.350 0.911 20 0 DCADHL Cc1nn(CC(=O)[O-])c(C)c1CNC(=O)c1c[n-]ncc1=O ZINC001600782970 1168295611 /nfs/dbraw/zinc/29/56/11/1168295611.db2.gz VRMHCHDCKXHQIK-UHFFFAOYSA-N -2 3 305.294 0.010 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(Br)n1 ZINC001600968243 1168537184 /nfs/dbraw/zinc/53/71/84/1168537184.db2.gz SFOQCJHTCKLLDZ-UHFFFAOYSA-N -2 3 324.156 0.078 20 0 DCADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1cccc2n[n-]nc21 ZINC001601411262 1168735879 /nfs/dbraw/zinc/73/58/79/1168735879.db2.gz FMWZMWIRARDTKC-BXKDBHETSA-N -2 3 318.333 0.958 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001601573924 1168787098 /nfs/dbraw/zinc/78/70/98/1168787098.db2.gz OUJSLTWCLCYXTK-BSJXLVFVSA-N -2 3 318.329 0.490 20 0 DCADHL O=C([O-])[C@@H](Cn1ccnc1)[N-]C(=O)C(F)(F)c1nccs1 ZINC001601662173 1168807665 /nfs/dbraw/zinc/80/76/65/1168807665.db2.gz GEMWCUXDYGFGSO-SSDOTTSWSA-N -2 3 316.289 0.701 20 0 DCADHL O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C[C@@H]21 ZINC001602205132 1169029546 /nfs/dbraw/zinc/02/95/46/1169029546.db2.gz NLCUPCPKNIYFKJ-KCQQBQQISA-N -2 3 319.243 0.296 20 0 DCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c1F ZINC001602228959 1169037125 /nfs/dbraw/zinc/03/71/25/1169037125.db2.gz WNRSPDGMLACUDO-UHFFFAOYSA-N -3 3 321.257 0.559 20 0 DCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2C[C@H](O)C2)c1F ZINC001602229008 1169037540 /nfs/dbraw/zinc/03/75/40/1169037540.db2.gz XMTSXRWQXQJEBN-LJGSYFOKSA-N -2 3 321.301 0.712 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H](O)COCC1CC1 ZINC001602488994 1169091559 /nfs/dbraw/zinc/09/15/59/1169091559.db2.gz OGZLLTPKHBDXDP-SECBINFHSA-N -2 3 319.335 0.044 20 0 DCADHL CC(C)(NC(=O)c1n[nH]c(=O)[n-]1)c1cccc(-c2nnn[n-]2)c1 ZINC001603165468 1169263080 /nfs/dbraw/zinc/26/30/80/1169263080.db2.gz QUJBYWKUBCIOPU-UHFFFAOYSA-N -2 3 314.309 0.356 20 0 DCADHL CC(C)(NC(=O)c1n[nH]c(=O)[n-]1)c1cccc(-c2nn[n-]n2)c1 ZINC001603165468 1169263094 /nfs/dbraw/zinc/26/30/94/1169263094.db2.gz QUJBYWKUBCIOPU-UHFFFAOYSA-N -2 3 314.309 0.356 20 0 DCADHL C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1nn(C)cc1[O-] ZINC001603648347 1169342678 /nfs/dbraw/zinc/34/26/78/1169342678.db2.gz FSJMSTUMKZBCQE-ZCFIWIBFSA-N -2 3 303.282 0.390 20 0 DCADHL C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1nn(C)cc1[O-] ZINC001603648347 1169342685 /nfs/dbraw/zinc/34/26/85/1169342685.db2.gz FSJMSTUMKZBCQE-ZCFIWIBFSA-N -2 3 303.282 0.390 20 0 DCADHL CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001603789842 1169390545 /nfs/dbraw/zinc/39/05/45/1169390545.db2.gz YCYYRXSRGWXKJS-MRVPVSSYSA-N -2 3 322.408 0.917 20 0 DCADHL Cc1[n-][nH]c(=O)c1Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001603826769 1169403843 /nfs/dbraw/zinc/40/38/43/1169403843.db2.gz MHCLQDCWWBHFQI-VIFPVBQESA-N -2 3 303.351 0.845 20 0 DCADHL Cc1[n-][nH]c(=O)c1Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001603826769 1169403847 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321.337 0.373 20 0 DCADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589793936 1166689208 /nfs/dbraw/zinc/68/92/08/1166689208.db2.gz FWNFCEOFTGOEJH-ZETCQYMHSA-N -2 3 311.323 0.008 20 0 DCADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589793936 1166689212 /nfs/dbraw/zinc/68/92/12/1166689212.db2.gz FWNFCEOFTGOEJH-ZETCQYMHSA-N -2 3 311.323 0.008 20 0 DCADHL C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nn(C)cc1[O-] ZINC001589942723 1166725147 /nfs/dbraw/zinc/72/51/47/1166725147.db2.gz BGHIKKXCSZPYJP-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nn(C)cc1[O-] ZINC001589942723 1166725155 /nfs/dbraw/zinc/72/51/55/1166725155.db2.gz BGHIKKXCSZPYJP-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1nn(C)cc1[O-] ZINC001589946262 1166727793 /nfs/dbraw/zinc/72/77/93/1166727793.db2.gz NDYSRXUDTNOEJF-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1nn(C)cc1[O-] ZINC001589946262 1166727796 /nfs/dbraw/zinc/72/77/96/1166727796.db2.gz NDYSRXUDTNOEJF-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC(=O)[O-] ZINC001590023624 1166755329 /nfs/dbraw/zinc/75/53/29/1166755329.db2.gz WVNOHDOSSOQOMN-MRVPVSSYSA-N -2 3 305.294 0.225 20 0 DCADHL CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590366201 1166890477 /nfs/dbraw/zinc/89/04/77/1166890477.db2.gz ZXKHIAUJHWBTHJ-UHFFFAOYSA-N -2 3 313.314 0.362 20 0 DCADHL CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590366201 1166890482 /nfs/dbraw/zinc/89/04/82/1166890482.db2.gz ZXKHIAUJHWBTHJ-UHFFFAOYSA-N -2 3 313.314 0.362 20 0 DCADHL Cc1cc(-c2nnn[n-]2)cc(NCC2(C(=O)[O-])CCOCC2)n1 ZINC001591857918 1167398538 /nfs/dbraw/zinc/39/85/38/1167398538.db2.gz KTMSGFRZWZOVRZ-UHFFFAOYSA-N -2 3 318.337 0.863 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(NCC2(C(=O)[O-])CCOCC2)n1 ZINC001591857918 1167398542 /nfs/dbraw/zinc/39/85/42/1167398542.db2.gz KTMSGFRZWZOVRZ-UHFFFAOYSA-N -2 3 318.337 0.863 20 0 DCADHL Cc1nonc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001592067530 1167448625 /nfs/dbraw/zinc/44/86/25/1167448625.db2.gz LBQWBJGXDIVCAN-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1nonc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001592067530 1167448629 /nfs/dbraw/zinc/44/86/29/1167448629.db2.gz LBQWBJGXDIVCAN-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccnn1 ZINC001592111254 1167458069 /nfs/dbraw/zinc/45/80/69/1167458069.db2.gz CAHFUAWSIROZNC-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccnn1 ZINC001592111254 1167458074 /nfs/dbraw/zinc/45/80/74/1167458074.db2.gz CAHFUAWSIROZNC-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]OC[C@H]1CCOC1 ZINC001592894250 1167659554 /nfs/dbraw/zinc/65/95/54/1167659554.db2.gz ZIXQWWCWFZOVIM-JTQLQIEISA-N -2 3 319.321 0.330 20 0 DCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]OC[C@H]1CCOC1 ZINC001592894250 1167659556 /nfs/dbraw/zinc/65/95/56/1167659556.db2.gz ZIXQWWCWFZOVIM-JTQLQIEISA-N -2 3 319.321 0.330 20 0 DCADHL O=C([O-])C1(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCC1 ZINC001593275638 1167751063 /nfs/dbraw/zinc/75/10/63/1167751063.db2.gz HABTWUWPXQWCKA-UHFFFAOYSA-N -2 3 319.296 0.877 20 0 DCADHL O=C([O-])[C@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC001593275493 1167752046 /nfs/dbraw/zinc/75/20/46/1167752046.db2.gz CBRADOQOAFDRDQ-SECBINFHSA-N -2 3 311.248 0.435 20 0 DCADHL O=C([O-])[C@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC001593275493 1167752053 /nfs/dbraw/zinc/75/20/53/1167752053.db2.gz CBRADOQOAFDRDQ-SECBINFHSA-N -2 3 311.248 0.435 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)O1 ZINC001593275750 1167752449 /nfs/dbraw/zinc/75/24/49/1167752449.db2.gz XGRMEFZFAYTVHY-ZJUUUORDSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)O1 ZINC001593275750 1167752455 /nfs/dbraw/zinc/75/24/55/1167752455.db2.gz XGRMEFZFAYTVHY-ZJUUUORDSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593275207 1167752869 /nfs/dbraw/zinc/75/28/69/1167752869.db2.gz UYEDYFOQXNNMLL-LLVKDONJSA-N -2 3 301.306 0.342 20 0 DCADHL O=C([O-])[C@H]1CCCN1c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001593278932 1167754202 /nfs/dbraw/zinc/75/42/02/1167754202.db2.gz HQNUITARTWLGBN-SNVBAGLBSA-N -2 3 311.305 0.863 20 0 DCADHL O=C([O-])[C@H]1CCCN1c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001593278932 1167754210 /nfs/dbraw/zinc/75/42/10/1167754210.db2.gz HQNUITARTWLGBN-SNVBAGLBSA-N -2 3 311.305 0.863 20 0 DCADHL O=C([O-])[C@]12COC[C@H]1CN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001593279054 1167756439 /nfs/dbraw/zinc/75/64/39/1167756439.db2.gz ONXQOKAQOWBOQX-QMTHXVAHSA-N -2 3 301.306 0.404 20 0 DCADHL O=S(=O)([N-]C(CF)CF)c1ccc(-c2nn[n-]n2)s1 ZINC001593430726 1167838589 /nfs/dbraw/zinc/83/85/89/1167838589.db2.gz VYQKGLNPSGCESZ-UHFFFAOYSA-N -2 3 309.323 0.514 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)o1 ZINC001593489942 1167874975 /nfs/dbraw/zinc/87/49/75/1167874975.db2.gz PFYWWQCGHCRALD-ZETCQYMHSA-N -2 3 315.297 0.129 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)o1 ZINC001593489942 1167874982 /nfs/dbraw/zinc/87/49/82/1167874982.db2.gz PFYWWQCGHCRALD-ZETCQYMHSA-N -2 3 315.297 0.129 20 0 DCADHL Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)o1 ZINC001600387115 1168177183 /nfs/dbraw/zinc/17/71/83/1168177183.db2.gz UTCLFADXQAYJGC-SECBINFHSA-N -2 3 315.303 0.891 20 0 DCADHL Cc1coc(CC(=O)[O-])c1C(=O)NCCCc1c[n-][nH]c1=O ZINC001600642079 1168225334 /nfs/dbraw/zinc/22/53/34/1168225334.db2.gz GASZEYLGPAIASH-SECBINFHSA-N -2 3 307.306 0.457 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1 ZINC001600790559 1168296819 /nfs/dbraw/zinc/29/68/19/1168296819.db2.gz KZTJOBZWYMVULS-UHFFFAOYSA-N -2 3 310.335 0.323 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC001600855966 1168487164 /nfs/dbraw/zinc/48/71/64/1168487164.db2.gz KYAHHMJEAQLCMX-VIFPVBQESA-N -3 3 305.308 0.674 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)nc1Cl ZINC001600968573 1168536840 /nfs/dbraw/zinc/53/68/40/1168536840.db2.gz QIVZBTCZNGHIDX-BUYFANAVSA-N -2 3 319.770 0.605 20 0 DCADHL O=C(C=Cc1cc(C(=O)[O-])co1)NCCCc1c[n-][nH]c1=O ZINC001601232059 1168671485 /nfs/dbraw/zinc/67/14/85/1168671485.db2.gz BIPGNAIUBGLRJV-CDAZIORVSA-N -2 3 305.290 0.619 20 0 DCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@H]2CCCCC23OCCO3)CC1 ZINC001601712812 1168823949 /nfs/dbraw/zinc/82/39/49/1168823949.db2.gz GCZJUAZCKQRJID-JTQLQIEISA-N -2 3 319.379 0.456 20 0 DCADHL O=C([O-])CCc1nc(COC(=O)c2cccc3[n-]nnc32)no1 ZINC001602046882 1168975891 /nfs/dbraw/zinc/97/58/91/1168975891.db2.gz POOYHNZHYZGLPW-UHFFFAOYSA-N -2 3 317.261 0.715 20 0 DCADHL O=C([O-])CCc1nc(COC(=O)c2cccc3n[n-]nc32)no1 ZINC001602046882 1168975895 /nfs/dbraw/zinc/97/58/95/1168975895.db2.gz POOYHNZHYZGLPW-UHFFFAOYSA-N -2 3 317.261 0.715 20 0 DCADHL O=C([O-])CN1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001602062580 1168980622 /nfs/dbraw/zinc/98/06/22/1168980622.db2.gz ZVKCXZVUDZYWLG-UHFFFAOYSA-N -2 3 318.333 0.644 20 0 DCADHL O=C([O-])Cc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2)n[n-]1 ZINC001602154699 1169004741 /nfs/dbraw/zinc/00/47/41/1169004741.db2.gz QZVHTURIENMTIS-UHFFFAOYSA-N -3 3 314.298 0.513 20 0 DCADHL O=C([O-])[C@@H]1C[C@H]1[C@@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC001602198674 1169025390 /nfs/dbraw/zinc/02/53/90/1169025390.db2.gz PVRLOFQLMNHBKA-XLDPMVHQSA-N -2 3 308.265 0.672 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)o1 ZINC001602400613 1169071753 /nfs/dbraw/zinc/07/17/53/1169071753.db2.gz ZJBDUIFKHNBKLA-SSDOTTSWSA-N -2 3 301.276 0.583 20 0 DCADHL O=C([O-])c1ccnc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001602478375 1169085416 /nfs/dbraw/zinc/08/54/16/1169085416.db2.gz VTOYFOPZHJDFFS-VIFPVBQESA-N -2 3 302.290 0.838 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1CC2(C1)OCCO2 ZINC001602488732 1169090307 /nfs/dbraw/zinc/09/03/07/1169090307.db2.gz LISIMUPKRKVELE-UHFFFAOYSA-N -2 3 317.319 0.409 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC001602588741 1169127824 /nfs/dbraw/zinc/12/78/24/1169127824.db2.gz KBUSSWPJJGFXFY-UHFFFAOYSA-N -2 3 320.392 0.672 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603208648 1169274524 /nfs/dbraw/zinc/27/45/24/1169274524.db2.gz LUBPKCPNLBCZJF-QMMMGPOBSA-N -2 3 324.366 0.359 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603208648 1169274530 /nfs/dbraw/zinc/27/45/30/1169274530.db2.gz LUBPKCPNLBCZJF-QMMMGPOBSA-N -2 3 324.366 0.359 20 0 DCADHL C[C@H](CNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)C(=O)[O-] ZINC001603535108 1169317916 /nfs/dbraw/zinc/31/79/16/1169317916.db2.gz HXBBMCFKTUHQJR-SSDOTTSWSA-N -2 3 324.366 0.790 20 0 DCADHL C[C@H](CNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)C(=O)[O-] ZINC001603535108 1169317922 /nfs/dbraw/zinc/31/79/22/1169317922.db2.gz HXBBMCFKTUHQJR-SSDOTTSWSA-N -2 3 324.366 0.790 20 0 DCADHL CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603907597 1169429849 /nfs/dbraw/zinc/42/98/49/1169429849.db2.gz JBVDQYMYSKDRNG-ZETCQYMHSA-N -2 3 305.308 0.596 20 0 DCADHL C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C(=O)[O-] ZINC001603929679 1169438983 /nfs/dbraw/zinc/43/89/83/1169438983.db2.gz BCYNAYGJHNLJSK-YUMQZZPRSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C(=O)[O-] ZINC001603929679 1169438986 /nfs/dbraw/zinc/43/89/86/1169438986.db2.gz BCYNAYGJHNLJSK-YUMQZZPRSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@H](CNC(=O)c1ccccc1[O-])Nc1ccnc(C(=O)[O-])n1 ZINC001604183145 1169515008 /nfs/dbraw/zinc/51/50/08/1169515008.db2.gz DLHYECOACACOCQ-SECBINFHSA-N -2 3 316.317 0.533 20 0 DCADHL CCc1oncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604592387 1169626391 /nfs/dbraw/zinc/62/63/91/1169626391.db2.gz NEUXISGFKSNFAI-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604923678 1169746036 /nfs/dbraw/zinc/74/60/36/1169746036.db2.gz OEPVVADDLIDGOX-WRWORJQWSA-N -2 3 322.408 0.917 20 0 DCADHL CO[C@@H](CS(=O)(=O)[N-]c1ncccc1-c1nn[n-]n1)C1CC1 ZINC001605011161 1169778663 /nfs/dbraw/zinc/77/86/63/1169778663.db2.gz ALRYKMRCDCGHBE-JTQLQIEISA-N -2 3 324.366 0.428 20 0 DCADHL COC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001605057880 1169798982 /nfs/dbraw/zinc/79/89/82/1169798982.db2.gz OWSBSPRGNQLAIW-VIFPVBQESA-N -2 3 306.282 0.088 20 0 DCADHL COC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001605057880 1169798986 /nfs/dbraw/zinc/79/89/86/1169798986.db2.gz OWSBSPRGNQLAIW-VIFPVBQESA-N -2 3 306.282 0.088 20 0 DCADHL CCC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])OC ZINC001605214651 1169874128 /nfs/dbraw/zinc/87/41/28/1169874128.db2.gz QWCCKJXUXAELBS-ZETCQYMHSA-N -2 3 308.381 0.935 20 0 DCADHL CCOC(=O)c1ncc(NC(=O)c2ccc(C(=O)[O-])cn2)[n-]1 ZINC001605581462 1169964114 /nfs/dbraw/zinc/96/41/14/1169964114.db2.gz WHOJTHZFOOJDIY-UHFFFAOYSA-N -2 3 304.262 0.932 20 0 DCADHL CCOC(=O)c1nc(NC(=O)c2ccc(C(=O)[O-])cn2)c[n-]1 ZINC001605581462 1169964119 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O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606957848 1170338568 /nfs/dbraw/zinc/33/85/68/1170338568.db2.gz LHQSDFYKTRCVIP-LBPRGKRZSA-N -2 3 315.333 0.875 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC2OCCO2)C(=O)[O-])o1 ZINC001607819610 1170509358 /nfs/dbraw/zinc/50/93/58/1170509358.db2.gz SHFYRFOMSHKTHB-MRVPVSSYSA-N -2 3 305.308 0.083 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c1C(=O)[O-] ZINC001607939605 1170528613 /nfs/dbraw/zinc/52/86/13/1170528613.db2.gz CTPXHQPSXGWWAC-IUCAKERBSA-N -2 3 317.367 0.246 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c(=O)[n-]1 ZINC001607947333 1170531297 /nfs/dbraw/zinc/53/12/97/1170531297.db2.gz LAGMFSBYIMBSMU-ZYHUDNBSSA-N -2 3 323.349 0.480 20 0 DCADHL O=C([O-])Cc1occc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001608793655 1170754883 /nfs/dbraw/zinc/75/48/83/1170754883.db2.gz IRDODTMJTHHLOJ-UHFFFAOYSA-N -2 3 303.274 0.995 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c(F)c1 ZINC001608912962 1170771021 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ZINC000833324822 601395613 /nfs/dbraw/zinc/39/56/13/601395613.db2.gz MCJJAOCLHYGVFS-SSDOTTSWSA-N -2 3 314.319 0.019 20 0 DCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(C)(C)C ZINC000829865967 601836256 /nfs/dbraw/zinc/83/62/56/601836256.db2.gz MVPWXKHQEYUQHD-SNVBAGLBSA-N -2 3 309.384 0.748 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c[nH]nc3C2)o1 ZINC000833323101 602136191 /nfs/dbraw/zinc/13/61/91/602136191.db2.gz CDRZHIDMCKNAAK-MRVPVSSYSA-N -2 3 311.319 0.537 20 0 DCADHL CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000828879811 602210028 /nfs/dbraw/zinc/21/00/28/602210028.db2.gz PCZYNFKGAQWZRR-VIFPVBQESA-N -2 3 305.352 0.973 20 0 DCADHL O=C([O-])N1CCO[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000831810918 604742520 /nfs/dbraw/zinc/74/25/20/604742520.db2.gz UPNMLBWVGBDDTR-BYPYZUCNSA-N -2 3 309.204 0.141 20 0 DCADHL O=C([O-])N1CCO[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000831810918 604742523 /nfs/dbraw/zinc/74/25/23/604742523.db2.gz UPNMLBWVGBDDTR-BYPYZUCNSA-N -2 3 309.204 0.141 20 0 DCADHL CCc1cc(=O)[n-]c(CSCCc2cn(CC(=O)[O-])nn2)n1 ZINC000830224761 604804982 /nfs/dbraw/zinc/80/49/82/604804982.db2.gz VFQMPBAHGLYOQT-UHFFFAOYSA-N -2 3 323.378 0.897 20 0 DCADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC000833484954 604882070 /nfs/dbraw/zinc/88/20/70/604882070.db2.gz UMXMCIBDOONSQA-QMMMGPOBSA-N -3 3 305.308 0.755 20 0 DCADHL CC(C)(C)OCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833445362 605022829 /nfs/dbraw/zinc/02/28/29/605022829.db2.gz FYWVDPWFMHFTBY-UHFFFAOYSA-N -2 3 308.381 0.935 20 0 DCADHL CC(C)OC(=O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833502347 605025368 /nfs/dbraw/zinc/02/53/68/605025368.db2.gz NEDHSIJPKGCNRR-UHFFFAOYSA-N -2 3 308.337 0.071 20 0 DCADHL CCN(CCC[N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000827130250 605181492 /nfs/dbraw/zinc/18/14/92/605181492.db2.gz SVIKZKAPIMLDQO-UHFFFAOYSA-N -2 3 324.790 0.742 20 0 DCADHL C[C@H]1CCCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833614225 605195552 /nfs/dbraw/zinc/19/55/52/605195552.db2.gz LHMSZJWNPGYZJX-JTQLQIEISA-N -2 3 316.379 0.988 20 0 DCADHL C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833627838 605210084 /nfs/dbraw/zinc/21/00/84/605210084.db2.gz VQBKSMBOGAKATJ-KWQFWETISA-N -2 3 314.363 0.739 20 0 DCADHL Cc1ccc(-c2nc(NC(=O)[C@@H]3CN(C(=O)[O-])CCO3)n[n-]2)o1 ZINC000830159688 605406369 /nfs/dbraw/zinc/40/63/69/605406369.db2.gz HKVKEWJUIJWOKL-VIFPVBQESA-N -2 3 321.293 0.690 20 0 DCADHL O=C([O-])N1CC(CNC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000834288516 605722039 /nfs/dbraw/zinc/72/20/39/605722039.db2.gz GJUWOYFOVMZFJW-WUXMJOGZSA-N -2 3 301.302 0.497 20 0 DCADHL O=C([O-])N(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000834003372 605979394 /nfs/dbraw/zinc/97/93/94/605979394.db2.gz GZPRQOHUICUNKM-UHFFFAOYSA-N -2 3 302.294 0.948 20 0 DCADHL O=C([O-])N(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000834003372 605979395 /nfs/dbraw/zinc/97/93/95/605979395.db2.gz GZPRQOHUICUNKM-UHFFFAOYSA-N -2 3 302.294 0.948 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1=CCCC1 ZINC000823285576 606759289 /nfs/dbraw/zinc/75/92/89/606759289.db2.gz XDHDECIHEUWLRV-UHFFFAOYSA-N -2 3 319.346 0.782 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1=CCCC1 ZINC000823285576 606759290 /nfs/dbraw/zinc/75/92/90/606759290.db2.gz XDHDECIHEUWLRV-UHFFFAOYSA-N -2 3 319.346 0.782 20 0 DCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826461073 608011698 /nfs/dbraw/zinc/01/16/98/608011698.db2.gz FCARQQHPTOTDCZ-SNVBAGLBSA-N -2 3 323.334 0.104 20 0 DCADHL O=C([N-]OCC(F)(F)F)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449959 609252183 /nfs/dbraw/zinc/25/21/83/609252183.db2.gz QTVOFLCHYLSKQX-MRVPVSSYSA-N -2 3 317.227 0.510 20 0 DCADHL O=C([N-]OCC(F)(F)F)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449959 609252184 /nfs/dbraw/zinc/25/21/84/609252184.db2.gz QTVOFLCHYLSKQX-MRVPVSSYSA-N -2 3 317.227 0.510 20 0 DCADHL COc1cc(C(=O)N2CC([C@H](F)C(=O)[O-])C2)cc(OC)c1[O-] ZINC000910131842 663846156 /nfs/dbraw/zinc/84/61/56/663846156.db2.gz KMLUSEBRYFFJHM-NSHDSACASA-N -2 3 313.281 0.904 20 0 DCADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000046064145 664481231 /nfs/dbraw/zinc/48/12/31/664481231.db2.gz RTJFTROLJXMNFC-UHFFFAOYSA-N -3 3 316.335 0.364 20 0 DCADHL CN(C(=O)c1ccccc1[O-])[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001032919701 666389297 /nfs/dbraw/zinc/38/92/97/666389297.db2.gz KZCJKDRLMHMLTC-JTQLQIEISA-N -2 3 317.349 0.562 20 0 DCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000769751690 668660066 /nfs/dbraw/zinc/66/00/66/668660066.db2.gz SBMSJIRMYIAEHF-SNVBAGLBSA-N -2 3 308.382 0.485 20 0 DCADHL COc1ccc(C(=O)[N-]C(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC000776432557 668876269 /nfs/dbraw/zinc/87/62/69/668876269.db2.gz JIUALXSFTPIYKC-UHFFFAOYSA-N -2 3 308.319 0.568 20 0 DCADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776505528 668877022 /nfs/dbraw/zinc/87/70/22/668877022.db2.gz KQUYFYZHVKJFSE-SSDOTTSWSA-N -2 3 323.321 0.606 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCCOC2)s1 ZINC000819107584 671096234 /nfs/dbraw/zinc/09/62/34/671096234.db2.gz LAFWCXFFEQEUHY-LLVKDONJSA-N -2 3 320.392 0.754 20 0 DCADHL Cc1onc(CC(=O)[N-]OCc2ccccc2)c1-c1nnn[n-]1 ZINC000826348664 671486605 /nfs/dbraw/zinc/48/66/05/671486605.db2.gz XTCRQZJIHLJFLW-UHFFFAOYSA-N -2 3 314.305 0.954 20 0 DCADHL Cc1onc(CC(=O)[N-]OCc2ccccc2)c1-c1nn[n-]n1 ZINC000826348664 671486606 /nfs/dbraw/zinc/48/66/06/671486606.db2.gz XTCRQZJIHLJFLW-UHFFFAOYSA-N -2 3 314.305 0.954 20 0 DCADHL O=C([O-])Nc1cnc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cn1 ZINC000834279388 671752560 /nfs/dbraw/zinc/75/25/60/671752560.db2.gz VCSSBYZDFHDOGK-UHFFFAOYSA-N -2 3 317.187 0.956 20 0 DCADHL O=C([O-])Nc1cnc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cn1 ZINC000834279388 671752563 /nfs/dbraw/zinc/75/25/63/671752563.db2.gz VCSSBYZDFHDOGK-UHFFFAOYSA-N -2 3 317.187 0.956 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-] ZINC000837292207 671854684 /nfs/dbraw/zinc/85/46/84/671854684.db2.gz LVYYIAUWPIVXLA-PHDIDXHHSA-N -2 3 309.775 0.769 20 0 DCADHL C[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H](C(=O)[O-])O1 ZINC000846127749 672295501 /nfs/dbraw/zinc/29/55/01/672295501.db2.gz BHJFTRSYURCBRZ-LDYMZIIASA-N -2 3 317.301 0.650 20 0 DCADHL C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1nc(C(=O)[O-])n[nH]1 ZINC001573568962 1163503930 /nfs/dbraw/zinc/50/39/30/1163503930.db2.gz KCGBGIXCGVYRDG-YFKPBYRVSA-N -2 3 320.261 0.428 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ncsc1NC(=O)[O-] ZINC001573626352 1163518210 /nfs/dbraw/zinc/51/82/10/1163518210.db2.gz OVZQYWIRRHDOKM-LURJTMIESA-N -2 3 311.323 0.475 20 0 DCADHL C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573654623 1163522929 /nfs/dbraw/zinc/52/29/29/1163522929.db2.gz MNWZKUWMFWECJI-HTQZYQBOSA-N -2 3 303.340 0.059 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@H]1CCCOC1 ZINC001573699823 1163538333 /nfs/dbraw/zinc/53/83/33/1163538333.db2.gz JJTDPUOLKMKULH-WPRPVWTQSA-N -2 3 317.367 0.591 20 0 DCADHL Cc1nocc1C[N-]S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001574206183 1163663096 /nfs/dbraw/zinc/66/30/96/1163663096.db2.gz PBZNESPYUOECPR-UHFFFAOYSA-N -2 3 301.280 0.289 20 0 DCADHL O=C([O-])c1cc(C[N-]C(=O)C(F)(F)C2(O)CCCC2)on1 ZINC001574408661 1163716270 /nfs/dbraw/zinc/71/62/70/1163716270.db2.gz MLGVYYLGDVVVBF-UHFFFAOYSA-N -2 3 304.249 0.929 20 0 DCADHL CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001579247482 1165250474 /nfs/dbraw/zinc/25/04/74/1165250474.db2.gz WUNJJUODAZJSMI-UHFFFAOYSA-N -2 3 313.321 0.578 20 0 DCADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001579247482 1165250481 /nfs/dbraw/zinc/25/04/81/1165250481.db2.gz WUNJJUODAZJSMI-UHFFFAOYSA-N -2 3 313.321 0.578 20 0 DCADHL CC(C)(CO)O[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589299342 1166643898 /nfs/dbraw/zinc/64/38/98/1166643898.db2.gz KQCASRPTOWXNGE-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL CC(C)(CO)O[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589299342 1166643907 /nfs/dbraw/zinc/64/39/07/1166643907.db2.gz KQCASRPTOWXNGE-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL CC(C)[C@@H](CO)ONC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001589459610 1166659184 /nfs/dbraw/zinc/65/91/84/1166659184.db2.gz IWLIGHQOOQBPCM-LLVKDONJSA-N -2 3 307.310 0.251 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590015734 1166754255 /nfs/dbraw/zinc/75/42/55/1166754255.db2.gz KROQJKLLDZTVNR-RQJHMYQMSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590015734 1166754263 /nfs/dbraw/zinc/75/42/63/1166754263.db2.gz KROQJKLLDZTVNR-RQJHMYQMSA-N -2 3 323.284 0.823 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591152087 1167116577 /nfs/dbraw/zinc/11/65/77/1167116577.db2.gz PVDBYECXAIZNIL-UHFFFAOYSA-N -2 3 307.295 0.289 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591152087 1167116581 /nfs/dbraw/zinc/11/65/81/1167116581.db2.gz PVDBYECXAIZNIL-UHFFFAOYSA-N -2 3 307.295 0.289 20 0 DCADHL CO[C@]1(C(=O)[O-])CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001591337735 1167222473 /nfs/dbraw/zinc/22/24/73/1167222473.db2.gz XNCXYFMNMOXBAU-CYBMUJFWSA-N -2 3 304.310 0.250 20 0 DCADHL CO[C@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001591337735 1167222480 /nfs/dbraw/zinc/22/24/80/1167222480.db2.gz XNCXYFMNMOXBAU-CYBMUJFWSA-N -2 3 304.310 0.250 20 0 DCADHL Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001591784584 1167379580 /nfs/dbraw/zinc/37/95/80/1167379580.db2.gz UMHBBPBOMUDWND-UHFFFAOYSA-N -2 3 312.355 0.361 20 0 DCADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C(C)(C)C ZINC001591784584 1167379586 /nfs/dbraw/zinc/37/95/86/1167379586.db2.gz UMHBBPBOMUDWND-UHFFFAOYSA-N -2 3 312.355 0.361 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC001592110759 1167459317 /nfs/dbraw/zinc/45/93/17/1167459317.db2.gz XPJTTWRDGGNGRL-IHWYPQMZSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC001592110759 1167459322 /nfs/dbraw/zinc/45/93/22/1167459322.db2.gz XPJTTWRDGGNGRL-IHWYPQMZSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001592161700 1167466730 /nfs/dbraw/zinc/46/67/30/1167466730.db2.gz PTPIGVUGXBJTJI-MNOVXSKESA-N -2 3 301.306 0.512 20 0 DCADHL O=C(N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1n[nH]c(=O)[n-]1 ZINC001592996533 1167681228 /nfs/dbraw/zinc/68/12/28/1167681228.db2.gz LHFJEHDGCBIXNF-VIFPVBQESA-N -2 3 312.293 0.108 20 0 DCADHL O=C(N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1n[nH]c(=O)[n-]1 ZINC001592996533 1167681230 /nfs/dbraw/zinc/68/12/30/1167681230.db2.gz LHFJEHDGCBIXNF-VIFPVBQESA-N -2 3 312.293 0.108 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@]12CCOC2 ZINC001593170711 1167729067 /nfs/dbraw/zinc/72/90/67/1167729067.db2.gz LRVKEDBKTJRPLB-RISCZKNCSA-N -2 3 301.306 0.703 20 0 DCADHL O=C([O-])CCN(C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593278582 1167754151 /nfs/dbraw/zinc/75/41/51/1167754151.db2.gz NKFURBVNLSINPR-NSHDSACASA-N -2 3 318.337 0.722 20 0 DCADHL O=C([O-])CCN(C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593278582 1167754160 /nfs/dbraw/zinc/75/41/60/1167754160.db2.gz NKFURBVNLSINPR-NSHDSACASA-N -2 3 318.337 0.722 20 0 DCADHL O=C([O-])CCC1CCN(c2cc(-c3nnn[n-]3)cnn2)CC1 ZINC001593278198 1167755233 /nfs/dbraw/zinc/75/52/33/1167755233.db2.gz VAIAYLIGSLEOIP-UHFFFAOYSA-N -2 3 303.326 0.738 20 0 DCADHL O=C([O-])CCC1CCN(c2cc(-c3nn[n-]n3)cnn2)CC1 ZINC001593278198 1167755240 /nfs/dbraw/zinc/75/52/40/1167755240.db2.gz VAIAYLIGSLEOIP-UHFFFAOYSA-N -2 3 303.326 0.738 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)[S@@](C)=O)oc1C(=O)[O-] ZINC001600298357 1168160043 /nfs/dbraw/zinc/16/00/43/1168160043.db2.gz DVSTYRRARZWDAP-WPCRTTGESA-N -2 3 323.392 0.722 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCN(C)C(=O)C2)oc1C(=O)[O-] ZINC001600299438 1168161942 /nfs/dbraw/zinc/16/19/42/1168161942.db2.gz ZJOWGRZYSKWARK-QMMMGPOBSA-N -2 3 316.335 0.185 20 0 DCADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)n[nH]1 ZINC001600670141 1168239022 /nfs/dbraw/zinc/23/90/22/1168239022.db2.gz AVIHVSKJYFWUEA-UHFFFAOYSA-N -2 3 320.714 0.536 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)c1C(=O)[O-] ZINC001600672897 1168243844 /nfs/dbraw/zinc/24/38/44/1168243844.db2.gz KFRXRBXSXWEDBI-LLVKDONJSA-N -2 3 303.340 0.264 20 0 DCADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC(=O)[O-])c1 ZINC001600863581 1168492578 /nfs/dbraw/zinc/49/25/78/1168492578.db2.gz OUOFXSQNVXXOOY-UHFFFAOYSA-N -2 3 319.273 0.755 20 0 DCADHL Cn1ncnc1CCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001601038779 1168574374 /nfs/dbraw/zinc/57/43/74/1168574374.db2.gz LRTFCBUIQURCDB-UHFFFAOYSA-N -2 3 314.323 0.017 20 0 DCADHL Cn1ncnc1CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001601038928 1168574827 /nfs/dbraw/zinc/57/48/27/1168574827.db2.gz SUKDWQZPNGMOGX-UHFFFAOYSA-N -2 3 314.323 0.017 20 0 DCADHL O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601408816 1168734466 /nfs/dbraw/zinc/73/44/66/1168734466.db2.gz LSCCVNDXCLIRTO-MWLCHTKSSA-N -2 3 321.333 0.812 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)o1 ZINC001601502882 1168767885 /nfs/dbraw/zinc/76/78/85/1168767885.db2.gz BYWFGZWPCZUGDM-UHFFFAOYSA-N -2 3 318.285 0.843 20 0 DCADHL O=C([O-])c1coc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC001601549224 1168779855 /nfs/dbraw/zinc/77/98/55/1168779855.db2.gz CTRMWPOKDUXZGR-UHFFFAOYSA-N -2 3 315.241 0.186 20 0 DCADHL O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601549990 1168781858 /nfs/dbraw/zinc/78/18/58/1168781858.db2.gz XILMPPNXGUUDQD-SYDPRGILSA-N -2 3 307.232 0.486 20 0 DCADHL O=C([O-])C1=NOC2(C1)CCN(C(=O)c1c([O-])cccc1O)CC2 ZINC001601743089 1168845866 /nfs/dbraw/zinc/84/58/66/1168845866.db2.gz QBSZWBSFJTUOHQ-UHFFFAOYSA-N -2 3 320.301 0.934 20 0 DCADHL O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)[N-]CC1OCCCO1 ZINC001601811108 1168902553 /nfs/dbraw/zinc/90/25/53/1168902553.db2.gz NGNWBVBOCWUCKS-VHSXEESVSA-N -2 3 307.368 0.312 20 0 DCADHL O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1cc(=O)[n-]cn1 ZINC001601863697 1168920370 /nfs/dbraw/zinc/92/03/70/1168920370.db2.gz BKSUYYOIVLPPIL-LBPRGKRZSA-N -2 3 315.285 0.540 20 0 DCADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCCc2c[n-][nH]c2=O)O1 ZINC001602035665 1168973193 /nfs/dbraw/zinc/97/31/93/1168973193.db2.gz QAJFKGCZVZHLGP-OUAUKWLOSA-N -2 3 311.338 0.027 20 0 DCADHL O=C([O-])Cc1occc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001602155683 1169004144 /nfs/dbraw/zinc/00/41/44/1169004144.db2.gz QJKHETACLJVXDI-UHFFFAOYSA-N -2 3 309.303 0.621 20 0 DCADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c[nH]nc2Cl)o1 ZINC001602349347 1169064710 /nfs/dbraw/zinc/06/47/10/1169064710.db2.gz CKEQDXLHPQBDPW-UHFFFAOYSA-N -2 3 305.699 0.833 20 0 DCADHL O=C([O-])c1nccnc1N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001602581546 1169125858 /nfs/dbraw/zinc/12/58/58/1169125858.db2.gz XMMBGIZTTRJLIQ-MRVPVSSYSA-N -2 3 302.294 0.361 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](CCO)C1CC1 ZINC001602583851 1169126349 /nfs/dbraw/zinc/12/63/49/1169126349.db2.gz SILURQBDTPVYMP-ZETCQYMHSA-N -2 3 306.365 0.281 20 0 DCADHL C[C@@H](CNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1)C(=O)[O-] ZINC001603535110 1169319162 /nfs/dbraw/zinc/31/91/62/1169319162.db2.gz HXBBMCFKTUHQJR-ZETCQYMHSA-N -2 3 324.366 0.790 20 0 DCADHL C[C@@H](CNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1)C(=O)[O-] ZINC001603535110 1169319163 /nfs/dbraw/zinc/31/91/63/1169319163.db2.gz HXBBMCFKTUHQJR-ZETCQYMHSA-N -2 3 324.366 0.790 20 0 DCADHL CC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001604484022 1169602091 /nfs/dbraw/zinc/60/20/91/1169602091.db2.gz QATQGCIUFXHRGB-SNVBAGLBSA-N -2 3 305.294 0.225 20 0 DCADHL CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001604561687 1169616513 /nfs/dbraw/zinc/61/65/13/1169616513.db2.gz JDZWHJFYQYGKBD-ZETCQYMHSA-N -2 3 306.365 0.687 20 0 DCADHL CO[C@@H]1C[C@@H](CC(=O)[O-])N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001605025451 1169784310 /nfs/dbraw/zinc/78/43/10/1169784310.db2.gz WSCNVEJXRLCBHI-DTWKUNHWSA-N -2 3 304.310 0.330 20 0 DCADHL COC[C@@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC001605063449 1169801757 /nfs/dbraw/zinc/80/17/57/1169801757.db2.gz MICPNQJEPOIZNJ-AWEZNQCLSA-N -2 3 319.321 0.330 20 0 DCADHL COC[C@@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC001605063449 1169801767 /nfs/dbraw/zinc/80/17/67/1169801767.db2.gz MICPNQJEPOIZNJ-AWEZNQCLSA-N -2 3 319.321 0.330 20 0 DCADHL COCCO[N-]C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001605114148 1169832844 /nfs/dbraw/zinc/83/28/44/1169832844.db2.gz YZDIKFLNLKJAKZ-UHFFFAOYSA-N -2 3 321.312 0.732 20 0 DCADHL COCCO[N-]C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001605114148 1169832861 /nfs/dbraw/zinc/83/28/61/1169832861.db2.gz YZDIKFLNLKJAKZ-UHFFFAOYSA-N -2 3 321.312 0.732 20 0 DCADHL CCOC(=O)c1ncc(NC(=O)c2ccc(C(=O)[O-])nc2)[n-]1 ZINC001605581322 1169963646 /nfs/dbraw/zinc/96/36/46/1169963646.db2.gz OSKOYNPFTMSAKR-UHFFFAOYSA-N -2 3 304.262 0.932 20 0 DCADHL CCOC(=O)c1nc(NC(=O)c2ccc(C(=O)[O-])nc2)c[n-]1 ZINC001605581322 1169963648 /nfs/dbraw/zinc/96/36/48/1169963648.db2.gz OSKOYNPFTMSAKR-UHFFFAOYSA-N -2 3 304.262 0.932 20 0 DCADHL COC(=O)c1csc(S(=O)(=O)[N-]C/C=C(\C)C(=O)[O-])c1 ZINC001606634100 1170247598 /nfs/dbraw/zinc/24/75/98/1170247598.db2.gz RSESNHKXYDNZQO-XVNBXDOJSA-N -2 3 319.360 0.844 20 0 DCADHL O=C([N-]OCC1CCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606863378 1170316854 /nfs/dbraw/zinc/31/68/54/1170316854.db2.gz XRSVUGDJEOFRII-GFCCVEGCSA-N -2 3 303.322 0.748 20 0 DCADHL O=C([N-]OCC1CCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606863378 1170316862 /nfs/dbraw/zinc/31/68/62/1170316862.db2.gz XRSVUGDJEOFRII-GFCCVEGCSA-N -2 3 303.322 0.748 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1(F)CC1 ZINC001606865101 1170318136 /nfs/dbraw/zinc/31/81/36/1170318136.db2.gz DUKBYHGASVNZLQ-UHFFFAOYSA-N -2 3 311.298 0.174 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1(F)CC1 ZINC001606865101 1170318143 /nfs/dbraw/zinc/31/81/43/1170318143.db2.gz DUKBYHGASVNZLQ-UHFFFAOYSA-N -2 3 311.298 0.174 20 0 DCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001606865514 1170318327 /nfs/dbraw/zinc/31/83/27/1170318327.db2.gz PQDKCDFOUHACLZ-UHFFFAOYSA-N -2 3 307.335 0.223 20 0 DCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001606865514 1170318334 /nfs/dbraw/zinc/31/83/34/1170318334.db2.gz PQDKCDFOUHACLZ-UHFFFAOYSA-N -2 3 307.335 0.223 20 0 DCADHL O=C([O-])C1(CNc2cccc(-c3nnn[n-]3)n2)CCOCC1 ZINC001606958703 1170338826 /nfs/dbraw/zinc/33/88/26/1170338826.db2.gz DXHWBQJJVDASHL-UHFFFAOYSA-N -2 3 304.310 0.555 20 0 DCADHL O=C([O-])[C@@H]1CN(c2cc(-c3nnn[n-]3)cnn2)C[C@H]1C1CC1 ZINC001606962133 1170339596 /nfs/dbraw/zinc/33/95/96/1170339596.db2.gz FWFYYWSOZJLPQP-VHSXEESVSA-N -2 3 301.310 0.204 20 0 DCADHL O=C([O-])[C@@H]1CN(c2cc(-c3nn[n-]n3)cnn2)C[C@H]1C1CC1 ZINC001606962133 1170339600 /nfs/dbraw/zinc/33/96/00/1170339600.db2.gz FWFYYWSOZJLPQP-VHSXEESVSA-N -2 3 301.310 0.204 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)O1 ZINC001606961548 1170339908 /nfs/dbraw/zinc/33/99/08/1170339908.db2.gz UVFNREFPDQITIU-NXEZZACHSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)O1 ZINC001606961548 1170339915 /nfs/dbraw/zinc/33/99/15/1170339915.db2.gz UVFNREFPDQITIU-NXEZZACHSA-N -2 3 321.268 0.577 20 0 DCADHL CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606999091 1170349868 /nfs/dbraw/zinc/34/98/68/1170349868.db2.gz BYYZYBLDSFLYQQ-RKDXNWHRSA-N -2 3 319.335 0.368 20 0 DCADHL CO[C@]12CCC[C@@]1([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CCO2 ZINC001607004871 1170351756 /nfs/dbraw/zinc/35/17/56/1170351756.db2.gz QVNCQKUNNBLBLX-DNIRFERGSA-N -2 3 319.379 0.455 20 0 DCADHL O=S(=O)([N-]c1ncccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC001607069981 1170378638 /nfs/dbraw/zinc/37/86/38/1170378638.db2.gz PNGMHJZOSUZFMW-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL O=S(=O)([N-]c1ncccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC001607069981 1170378650 /nfs/dbraw/zinc/37/86/50/1170378650.db2.gz PNGMHJZOSUZFMW-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC(C)(C)C ZINC001607423684 1170448568 /nfs/dbraw/zinc/44/85/68/1170448568.db2.gz ZKWGHSGNMRTFFA-MRVPVSSYSA-N -2 3 309.384 0.747 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nccnc3C(=O)[O-])C2)n1 ZINC001607560093 1170476403 /nfs/dbraw/zinc/47/64/03/1170476403.db2.gz FTSVXGIEHNSIAC-VIFPVBQESA-N -2 3 316.321 0.670 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c1C(=O)[O-] ZINC001607938090 1170528774 /nfs/dbraw/zinc/52/87/74/1170528774.db2.gz IZLIUGSHXMCLPD-MRVPVSSYSA-N -2 3 303.340 0.121 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c1C(=O)[O-] ZINC001607939231 1170528973 /nfs/dbraw/zinc/52/89/73/1170528973.db2.gz ANJBJYABBOPLGQ-MRVPVSSYSA-N -2 3 303.340 0.264 20 0 DCADHL Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C(=O)[O-])CC1 ZINC001608076279 1170564491 /nfs/dbraw/zinc/56/44/91/1170564491.db2.gz SYKOEORIZJHJAU-UHFFFAOYSA-N -2 3 304.310 0.279 20 0 DCADHL O=C([O-])[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001608484838 1170687780 /nfs/dbraw/zinc/68/77/80/1170687780.db2.gz KDNMWOXAIIVVLT-GFCCVEGCSA-N -2 3 324.300 0.817 20 0 DCADHL O=C([O-])[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001608484838 1170687785 /nfs/dbraw/zinc/68/77/85/1170687785.db2.gz KDNMWOXAIIVVLT-GFCCVEGCSA-N -2 3 324.300 0.817 20 0 DCADHL O=C([O-])C1=NO[C@@]2(CCN(Cc3cc(=O)[n-]c(C4CC4)n3)C2)C1 ZINC001608588700 1170708732 /nfs/dbraw/zinc/70/87/32/1170708732.db2.gz DFRUISGJTLOYSL-HNNXBMFYSA-N -2 3 318.333 0.865 20 0 DCADHL O=C([O-])Cc1nc(NC(=O)c2cc3c(cc2[O-])OCO3)n[nH]1 ZINC001608793261 1170755020 /nfs/dbraw/zinc/75/50/20/1170755020.db2.gz HPBGJECBBLOBRW-UHFFFAOYSA-N -2 3 306.234 0.118 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CO)CC2)o1 ZINC001608913430 1170772059 /nfs/dbraw/zinc/77/20/59/1170772059.db2.gz MVVUMWGGRBZJLC-DTORHVGOSA-N -2 3 303.336 0.807 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCc1ccccc1O ZINC001608965477 1170777736 /nfs/dbraw/zinc/77/77/36/1170777736.db2.gz SRIUXPBPSIWIAA-UHFFFAOYSA-N -2 3 311.319 0.335 20 0 DCADHL O=C([O-])c1cnccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001608983630 1170780131 /nfs/dbraw/zinc/78/01/31/1170780131.db2.gz UNGAVAHCTRBTQR-UHFFFAOYSA-N -2 3 322.346 0.535 20 0 DCADHL O=C([O-])C1(O)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC001609027698 1170787571 /nfs/dbraw/zinc/78/75/71/1170787571.db2.gz NAJYYXZHUZMYIL-UHFFFAOYSA-N -2 3 305.208 0.683 20 0 DCADHL CCS(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001609247323 1170899037 /nfs/dbraw/zinc/89/90/37/1170899037.db2.gz FUMIXFQKPHUHNR-UHFFFAOYSA-N -2 3 321.362 0.364 20 0 DCADHL CCS(=O)(=O)[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001609247323 1170899048 /nfs/dbraw/zinc/89/90/48/1170899048.db2.gz FUMIXFQKPHUHNR-UHFFFAOYSA-N -2 3 321.362 0.364 20 0 DCADHL Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc(-c2nnn[n-]2)c1 ZINC001609406145 1170969296 /nfs/dbraw/zinc/96/92/96/1170969296.db2.gz MDYPJKHOGSPXEL-WDEREUQCSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cc(-c2nn[n-]n2)c1 ZINC001609406145 1170969300 /nfs/dbraw/zinc/96/93/00/1170969300.db2.gz MDYPJKHOGSPXEL-WDEREUQCSA-N -2 3 317.305 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YAYXYIVUOCMVDQ-MRVPVSSYSA-N -2 3 307.759 0.605 20 0 DCADHL C[C@](CO)(C[N-]S(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000780288635 668977476 /nfs/dbraw/zinc/97/74/76/668977476.db2.gz QLNUDHKSONSNST-LLVKDONJSA-N -2 3 322.770 0.487 20 0 DCADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)C1CCC1 ZINC000853025946 671202672 /nfs/dbraw/zinc/20/26/72/671202672.db2.gz YKZVVEKMFRWGQV-ZETCQYMHSA-N -2 3 307.759 0.842 20 0 DCADHL CC[S@@](=O)CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000853230715 671223220 /nfs/dbraw/zinc/22/32/20/671223220.db2.gz AUBOQBALEWTAJV-GOSISDBHSA-N -2 3 309.365 0.333 20 0 DCADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c[nH]nc2Cl)CCOCC1 ZINC000843304370 672080964 /nfs/dbraw/zinc/08/09/64/672080964.db2.gz FTQDZBMGCLPKHN-UHFFFAOYSA-N -2 3 323.758 0.223 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC001609004927 1159813176 /nfs/dbraw/zinc/81/31/76/1159813176.db2.gz CHVKLYDUVFSDMV-ZETCQYMHSA-N -2 3 306.365 0.281 20 0 DCADHL CC(C)C[C@](C)(C[N-]S(=O)(=O)c1nncn1C)C(=O)[O-] ZINC001573503321 1163455077 /nfs/dbraw/zinc/45/50/77/1163455077.db2.gz YWLQOFKZWKFKNH-LLVKDONJSA-N -2 3 304.372 0.230 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNc1cc(CCC(=O)[O-])nc(C)n1 ZINC001573624867 1163517186 /nfs/dbraw/zinc/51/71/86/1163517186.db2.gz FHDJSLNWIZVULQ-NSHDSACASA-N -2 3 305.338 0.726 20 0 DCADHL CCOC(=O)c1ncc(NC(=O)[C@H]2CSCN2C(=O)[O-])[n-]1 ZINC001573794495 1163556906 /nfs/dbraw/zinc/55/69/06/1163556906.db2.gz ZFKNLXFVEXBYQA-ZCFIWIBFSA-N -2 3 314.323 0.578 20 0 DCADHL CCOC(=O)c1nc(NC(=O)[C@H]2CSCN2C(=O)[O-])c[n-]1 ZINC001573794495 1163556911 /nfs/dbraw/zinc/55/69/11/1163556911.db2.gz ZFKNLXFVEXBYQA-ZCFIWIBFSA-N -2 3 314.323 0.578 20 0 DCADHL Cc1[nH]c(CNCc2nc3c(c(=O)[n-]2)COCC3)cc1C(=O)[O-] ZINC001574111247 1163638478 /nfs/dbraw/zinc/63/84/78/1163638478.db2.gz PBNRNMNLXCUGMP-UHFFFAOYSA-N -2 3 318.333 0.879 20 0 DCADHL Cc1[nH]c(C(=O)CN2CC[C@H](c3nnn[n-]3)C2)c(C)c1C(=O)[O-] ZINC001574112821 1163639821 /nfs/dbraw/zinc/63/98/21/1163639821.db2.gz LXBFJHQAYAGOEM-VIFPVBQESA-N -2 3 318.337 0.515 20 0 DCADHL Cc1[nH]c(C(=O)CN2CC[C@H](c3nn[n-]n3)C2)c(C)c1C(=O)[O-] ZINC001574112821 1163639823 /nfs/dbraw/zinc/63/98/23/1163639823.db2.gz LXBFJHQAYAGOEM-VIFPVBQESA-N -2 3 318.337 0.515 20 0 DCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)c2nnn[n-]2)n1 ZINC001585910745 1166468568 /nfs/dbraw/zinc/46/85/68/1166468568.db2.gz MWLJJBSKTXQJOL-UHFFFAOYSA-N -2 3 317.284 0.815 20 0 DCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)c2nn[n-]n2)n1 ZINC001585910745 1166468574 /nfs/dbraw/zinc/46/85/74/1166468574.db2.gz MWLJJBSKTXQJOL-UHFFFAOYSA-N -2 3 317.284 0.815 20 0 DCADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001589008738 1166626372 /nfs/dbraw/zinc/62/63/72/1166626372.db2.gz HNQRITOIHAAAHK-SKLCBMLGSA-N -2 3 300.402 0.580 20 0 DCADHL CC(C)(C(=O)[O-])C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001589059189 1166632859 /nfs/dbraw/zinc/63/28/59/1166632859.db2.gz PQZYYODTAPZEKE-UHFFFAOYSA-N -2 3 301.306 0.820 20 0 DCADHL C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1nn(C)cc1[O-] ZINC001589945006 1166728103 /nfs/dbraw/zinc/72/81/03/1166728103.db2.gz ZWXVIPFKDOIDIO-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1nn(C)cc1[O-] ZINC001589945006 1166728108 /nfs/dbraw/zinc/72/81/08/1166728108.db2.gz ZWXVIPFKDOIDIO-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL COC(=O)Cc1c(C)[n-]n(-c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001591260994 1167183964 /nfs/dbraw/zinc/18/39/64/1167183964.db2.gz IUDGDNGIANBMCX-LLVKDONJSA-N -2 3 314.305 0.769 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001591387194 1167259150 /nfs/dbraw/zinc/25/91/50/1167259150.db2.gz RZIXMCAZLOACSL-AWEZNQCLSA-N -2 3 318.337 0.498 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001591387194 1167259157 /nfs/dbraw/zinc/25/91/57/1167259157.db2.gz RZIXMCAZLOACSL-AWEZNQCLSA-N -2 3 318.337 0.498 20 0 DCADHL COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591512710 1167319205 /nfs/dbraw/zinc/31/92/05/1167319205.db2.gz SCIRFWCMLWQZST-JTQLQIEISA-N -2 3 317.305 0.565 20 0 DCADHL COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591512710 1167319210 /nfs/dbraw/zinc/31/92/10/1167319210.db2.gz SCIRFWCMLWQZST-JTQLQIEISA-N -2 3 317.305 0.565 20 0 DCADHL CSc1nc(=O)n(Cc2cc(F)ccc2-c2nn[n-]n2)[n-]1 ZINC001591721276 1167360975 /nfs/dbraw/zinc/36/09/75/1167360975.db2.gz RXBFBHDULNGCES-UHFFFAOYSA-N -2 3 307.314 0.661 20 0 DCADHL Cc1c(NC(=O)C(=O)[N-]OCC2CC2)cccc1-c1nnn[n-]1 ZINC001591824733 1167388225 /nfs/dbraw/zinc/38/82/25/1167388225.db2.gz SHWZKRAYTRIJEK-UHFFFAOYSA-N -2 3 316.321 0.571 20 0 DCADHL Cc1c(NC(=O)C(=O)[N-]OCC2CC2)cccc1-c1nn[n-]n1 ZINC001591824733 1167388232 /nfs/dbraw/zinc/38/82/32/1167388232.db2.gz SHWZKRAYTRIJEK-UHFFFAOYSA-N -2 3 316.321 0.571 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1CN1CCOC[C@H]1C(=O)[O-] ZINC001591846030 1167393567 /nfs/dbraw/zinc/39/35/67/1167393567.db2.gz GXVWYQYRSVHONH-ZDUSSCGKSA-N -2 3 317.349 0.769 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001592095089 1167451028 /nfs/dbraw/zinc/45/10/28/1167451028.db2.gz PGIWMSKJGSIFJQ-UHFFFAOYSA-N -2 3 315.293 0.536 20 0 DCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCC2)cc1-c1nnn[n-]1 ZINC001592128069 1167460332 /nfs/dbraw/zinc/46/03/32/1167460332.db2.gz HSRQLMWIPYEGBB-UHFFFAOYSA-N -2 3 321.362 0.787 20 0 DCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCC2)cc1-c1nn[n-]n1 ZINC001592128069 1167460339 /nfs/dbraw/zinc/46/03/39/1167460339.db2.gz HSRQLMWIPYEGBB-UHFFFAOYSA-N -2 3 321.362 0.787 20 0 DCADHL Cc1nc(N(C)Cc2nc(=O)o[n-]2)c(Cl)cc1-c1nnn[n-]1 ZINC001592367929 1167506694 /nfs/dbraw/zinc/50/66/94/1167506694.db2.gz IRWKVHFARCVSAJ-UHFFFAOYSA-N -2 3 322.716 0.536 20 0 DCADHL Cc1nc(N(C)Cc2nc(=O)o[n-]2)c(Cl)cc1-c1nn[n-]n1 ZINC001592367929 1167506699 /nfs/dbraw/zinc/50/66/99/1167506699.db2.gz IRWKVHFARCVSAJ-UHFFFAOYSA-N -2 3 322.716 0.536 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2nncs2)cc1-c1nnn[n-]1 ZINC001592414304 1167517203 /nfs/dbraw/zinc/51/72/03/1167517203.db2.gz FKJFYDWUPZNUMJ-UHFFFAOYSA-N -2 3 324.351 0.222 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2nncs2)cc1-c1nn[n-]n1 ZINC001592414304 1167517208 /nfs/dbraw/zinc/51/72/08/1167517208.db2.gz FKJFYDWUPZNUMJ-UHFFFAOYSA-N -2 3 324.351 0.222 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593171406 1167728445 /nfs/dbraw/zinc/72/84/45/1167728445.db2.gz WKXBJKLSYPDBHX-XXILOJSOSA-N -2 3 313.317 0.892 20 0 DCADHL O=C(Nc1nnc2ccccn21)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593269624 1167748659 /nfs/dbraw/zinc/74/86/59/1167748659.db2.gz MAPMXUKJVAOUQC-UHFFFAOYSA-N -2 3 322.288 0.867 20 0 DCADHL O=C([O-])CCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001593278638 1167755278 /nfs/dbraw/zinc/75/52/78/1167755278.db2.gz QTXSTRPIJPADCY-UHFFFAOYSA-N -2 3 316.321 0.630 20 0 DCADHL O=C([O-])CCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001593278638 1167755285 /nfs/dbraw/zinc/75/52/85/1167755285.db2.gz QTXSTRPIJPADCY-UHFFFAOYSA-N -2 3 316.321 0.630 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCC2CC(O)C2)oc1C(=O)[O-] ZINC001600299277 1168161242 /nfs/dbraw/zinc/16/12/42/1168161242.db2.gz VONKGTGBXQVAHG-UHFFFAOYSA-N -2 3 303.336 0.726 20 0 DCADHL Cc1cnccc1CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001600629705 1168221104 /nfs/dbraw/zinc/22/11/04/1168221104.db2.gz ADMYILILNWYNHC-UHFFFAOYSA-N -2 3 310.335 0.332 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)/C=C/C(=O)[O-] ZINC001600772174 1168286815 /nfs/dbraw/zinc/28/68/15/1168286815.db2.gz BJSZKEYNSXXHBV-BMMSZFGTSA-N -2 3 307.759 0.690 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CC(=O)[O-])nc1Cl ZINC001600968556 1168537013 /nfs/dbraw/zinc/53/70/13/1168537013.db2.gz PLKGTPXMLMSCLS-JGVFFNPUSA-N -2 3 321.786 0.995 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C2CC2)nc1Cl ZINC001600969091 1168537314 /nfs/dbraw/zinc/53/73/14/1168537314.db2.gz UFFDKYRXQOKGRP-MRVPVSSYSA-N -2 3 321.786 0.853 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC001600994898 1168552202 /nfs/dbraw/zinc/55/22/02/1168552202.db2.gz BDSKXBVGFBTFEH-LLVKDONJSA-N -2 3 324.362 0.700 20 0 DCADHL Nc1nn2c([n-]1)nc(CSc1ncccc1C(=O)[O-])cc2=O ZINC001601222502 1168665297 /nfs/dbraw/zinc/66/52/97/1168665297.db2.gz BESHJTHEGKEVEV-UHFFFAOYSA-N -2 3 318.318 0.385 20 0 DCADHL O=C([O-])c1cccc(CC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001601363696 1168720297 /nfs/dbraw/zinc/72/02/97/1168720297.db2.gz HVVOLBMWRRYCAY-GFCCVEGCSA-N -2 3 303.318 0.556 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001601768089 1168865211 /nfs/dbraw/zinc/86/52/11/1168865211.db2.gz HGYFMDNAMIPLHE-RKDXNWHRSA-N -2 3 317.301 0.243 20 0 DCADHL O=C([O-])CCS(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1F ZINC001602028579 1168971569 /nfs/dbraw/zinc/97/15/69/1168971569.db2.gz VNQFFFOATJEAJE-UHFFFAOYSA-N -2 3 314.298 0.827 20 0 DCADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2F)[C@H]2C[C@H]21 ZINC001602200287 1169024388 /nfs/dbraw/zinc/02/43/88/1169024388.db2.gz PUBSYAUMCFLQFK-XAVMHZPKSA-N -2 3 300.311 0.608 20 0 DCADHL O=C([O-])c1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)o1 ZINC001602314938 1169054794 /nfs/dbraw/zinc/05/47/94/1169054794.db2.gz AASQJIBYBPTVPF-UHFFFAOYSA-N -2 3 305.294 0.586 20 0 DCADHL O=C([O-])c1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)o1 ZINC001602314938 1169054806 /nfs/dbraw/zinc/05/48/06/1169054806.db2.gz AASQJIBYBPTVPF-UHFFFAOYSA-N -2 3 305.294 0.586 20 0 DCADHL O=C([O-])c1cccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC001602433493 1169077315 /nfs/dbraw/zinc/07/73/15/1169077315.db2.gz XHGBTPZICSCZRK-UHFFFAOYSA-N -2 3 315.211 0.847 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC001602506610 1169101641 /nfs/dbraw/zinc/10/16/41/1169101641.db2.gz HFTXLTFHGKQFQF-QMMMGPOBSA-N -2 3 315.351 0.488 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c1 ZINC001602555818 1169116235 /nfs/dbraw/zinc/11/62/35/1169116235.db2.gz ABAOKXXSAKNOON-SNVBAGLBSA-N -2 3 319.335 0.044 20 0 DCADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC001602556361 1169116546 /nfs/dbraw/zinc/11/65/46/1169116546.db2.gz JCHVYUXNSSBAJK-UHFFFAOYSA-N -2 3 324.314 0.786 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)c1 ZINC001602556571 1169116746 /nfs/dbraw/zinc/11/67/46/1169116746.db2.gz IFAUOGFUPCNZNU-MRVPVSSYSA-N -2 3 324.305 0.596 20 0 DCADHL CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001603059849 1169241997 /nfs/dbraw/zinc/24/19/97/1169241997.db2.gz GUABHRHHTYTDTD-UHFFFAOYSA-N -2 3 309.351 0.718 20 0 DCADHL CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001603059849 1169242006 /nfs/dbraw/zinc/24/20/06/1169242006.db2.gz GUABHRHHTYTDTD-UHFFFAOYSA-N -2 3 309.351 0.718 20 0 DCADHL C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001603864988 1169416224 /nfs/dbraw/zinc/41/62/24/1169416224.db2.gz NEKZQUJSFBOOQY-KWQFWETISA-N -2 3 321.362 0.469 20 0 DCADHL C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603864988 1169416226 /nfs/dbraw/zinc/41/62/26/1169416226.db2.gz NEKZQUJSFBOOQY-KWQFWETISA-N -2 3 321.362 0.469 20 0 DCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001604012766 1169470355 /nfs/dbraw/zinc/47/03/55/1169470355.db2.gz VKFJOMFZYRKIDD-QMMMGPOBSA-N -2 3 324.366 0.428 20 0 DCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001604012766 1169470358 /nfs/dbraw/zinc/47/03/58/1169470358.db2.gz VKFJOMFZYRKIDD-QMMMGPOBSA-N -2 3 324.366 0.428 20 0 DCADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604489223 1169603171 /nfs/dbraw/zinc/60/31/71/1169603171.db2.gz AANVPQKOZWJYSB-PELKAZGASA-N -3 3 317.319 0.900 20 0 DCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c2ncnn21 ZINC001604676816 1169651686 /nfs/dbraw/zinc/65/16/86/1169651686.db2.gz NAGQCKMQDZUYRT-SVRRBLITSA-N -2 3 312.307 0.554 20 0 DCADHL CC[C@](C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])OC ZINC001604907174 1169738616 /nfs/dbraw/zinc/73/86/16/1169738616.db2.gz WJTKSZFUPUJXEM-SNVBAGLBSA-N -2 3 308.381 0.935 20 0 DCADHL CC[C@@](C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])OC ZINC001604907173 1169739067 /nfs/dbraw/zinc/73/90/67/1169739067.db2.gz WJTKSZFUPUJXEM-JTQLQIEISA-N -2 3 308.381 0.935 20 0 DCADHL CC[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)OC ZINC001605041960 1169791090 /nfs/dbraw/zinc/79/10/90/1169791090.db2.gz VQVGKPJUQHMMPZ-SSDOTTSWSA-N -2 3 305.308 0.455 20 0 DCADHL Cc1nc(C(=O)N(C)C[C@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001606025329 1170054662 /nfs/dbraw/zinc/05/46/62/1170054662.db2.gz SKQGOIOJMHKZGN-ZETCQYMHSA-N -2 3 304.310 0.363 20 0 DCADHL Cc1nc(C(=O)N(C)C[C@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001606025329 1170054669 /nfs/dbraw/zinc/05/46/69/1170054669.db2.gz SKQGOIOJMHKZGN-ZETCQYMHSA-N -2 3 304.310 0.363 20 0 DCADHL COC(=O)[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001606407046 1170188335 /nfs/dbraw/zinc/18/83/35/1170188335.db2.gz LNVAOSWHHKCGAF-KCJUWKMLSA-N -2 3 323.301 0.576 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])c(C)o1 ZINC001606564924 1170235371 /nfs/dbraw/zinc/23/53/71/1170235371.db2.gz SRPRTXAKPHZNLR-LURJTMIESA-N -2 3 309.271 0.076 20 0 DCADHL COC(=O)c1ccc(C(=O)Nc2nc3n(c2C(=O)[O-])CCC3)[n-]1 ZINC001606578239 1170237769 /nfs/dbraw/zinc/23/77/69/1170237769.db2.gz VHDYTGBCGMZIKN-UHFFFAOYSA-N -2 3 318.289 0.895 20 0 DCADHL COCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001606855867 1170315261 /nfs/dbraw/zinc/31/52/61/1170315261.db2.gz JPXWMCZSLQOIAI-VIFPVBQESA-N -2 3 321.351 0.616 20 0 DCADHL O=C([O-])C(F)(F)CNCc1ccc(-c2nnn[n-]2)cc1F ZINC001606959710 1170338764 /nfs/dbraw/zinc/33/87/64/1170338764.db2.gz LVMHHYMDQGEJRQ-UHFFFAOYSA-N -2 3 301.228 0.815 20 0 DCADHL O=c1cc(CN2CCC(F)(F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607110432 1170401863 /nfs/dbraw/zinc/40/18/63/1170401863.db2.gz CMESVPFVLSFEBB-UHFFFAOYSA-N -2 3 322.279 0.456 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)NOCCCC(=O)[O-])c([O-])c1 ZINC001607730332 1170501005 /nfs/dbraw/zinc/50/10/05/1170501005.db2.gz KASMBMZUEXUPDH-UHFFFAOYSA-N -2 3 324.333 0.733 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ccncc2C)c1C(=O)[O-] ZINC001607913282 1170522967 /nfs/dbraw/zinc/52/29/67/1170522967.db2.gz YVXPLORDFOJQPA-UHFFFAOYSA-N -2 3 324.362 0.641 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC(C(=O)[O-])C1 ZINC001608073775 1170564734 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DCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OCC(F)F ZINC001609134679 1170821729 /nfs/dbraw/zinc/82/17/29/1170821729.db2.gz RPVZNOVKJWFENS-ZETCQYMHSA-N -2 3 313.264 0.947 20 0 DCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609144219 1170824973 /nfs/dbraw/zinc/82/49/73/1170824973.db2.gz MYJXPYGHACKKNR-SECBINFHSA-N -2 3 322.350 0.113 20 0 DCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609144219 1170824980 /nfs/dbraw/zinc/82/49/80/1170824980.db2.gz MYJXPYGHACKKNR-SECBINFHSA-N -2 3 322.350 0.113 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609184087 1170852061 /nfs/dbraw/zinc/85/20/61/1170852061.db2.gz PGXDMOUQHQBSPZ-ZETCQYMHSA-N -2 3 310.339 0.113 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609184087 1170852072 /nfs/dbraw/zinc/85/20/72/1170852072.db2.gz PGXDMOUQHQBSPZ-ZETCQYMHSA-N -2 3 310.339 0.113 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(F)F ZINC001609194988 1170859705 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COC(=O)Cc1occc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001610186719 1171191536 /nfs/dbraw/zinc/19/15/36/1171191536.db2.gz LYXVJTMAZZGEAC-UHFFFAOYSA-N -2 3 311.275 0.797 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC001610562309 1171254492 /nfs/dbraw/zinc/25/44/92/1171254492.db2.gz KYJNVQYFVQNVHA-UHFFFAOYSA-N -2 3 316.317 0.833 20 0 DCADHL Cn1cc(NC(=O)C(=O)NCc2ncccc2[O-])cc1C(=O)[O-] ZINC001610604810 1171265061 /nfs/dbraw/zinc/26/50/61/1171265061.db2.gz LUUPORDGQJBCTB-UHFFFAOYSA-N -2 3 318.289 0.079 20 0 DCADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]CC(F)(F)CO ZINC001610831603 1171335016 /nfs/dbraw/zinc/33/50/16/1171335016.db2.gz LYJHRSBKFXHGNH-UHFFFAOYSA-N -2 3 313.253 0.430 20 0 DCADHL Cc1cc(C=O)c([O-])c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC001641915939 1171931967 /nfs/dbraw/zinc/93/19/67/1171931967.db2.gz AILDUTGMSUEORJ-UHFFFAOYSA-N -2 3 303.318 0.899 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000316339938 1190413806 /nfs/dbraw/zinc/41/38/06/1190413806.db2.gz NGSUVARLRWGUHV-MNOVXSKESA-N -2 3 301.306 0.850 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000316339938 1190413809 /nfs/dbraw/zinc/41/38/09/1190413809.db2.gz NGSUVARLRWGUHV-MNOVXSKESA-N -2 3 301.306 0.850 20 0 DCADHL O=C(c1ncccc1[O-])N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045008767 752992769 /nfs/dbraw/zinc/99/27/69/752992769.db2.gz QLVBFBRPAMCSBJ-VIFPVBQESA-N -2 3 318.337 0.005 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])c1[nH]nc2c1COCC2 ZINC001152015324 769460080 /nfs/dbraw/zinc/46/00/80/769460080.db2.gz AUIYTDUIPGHGQU-UHFFFAOYSA-N -2 3 303.255 0.170 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H](CO)c1ccccc1 ZINC001181927555 771372030 /nfs/dbraw/zinc/37/20/30/771372030.db2.gz RFKPKBVMISYCSR-GFCCVEGCSA-N -2 3 301.279 0.837 20 0 DCADHL CC(=O)N1CCCC[C@H]1CC(=O)NCCCCP(=O)([O-])[O-] ZINC001184126478 771745511 /nfs/dbraw/zinc/74/55/11/771745511.db2.gz LKEXSNGSJSKIRE-LBPRGKRZSA-N -2 3 320.326 0.852 20 0 DCADHL Cc1nsc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185556055 771928013 /nfs/dbraw/zinc/92/80/13/771928013.db2.gz PFNWUPCLPXPWDT-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1nsc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185556055 771928017 /nfs/dbraw/zinc/92/80/17/771928017.db2.gz PFNWUPCLPXPWDT-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cn1cncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566491 771929463 /nfs/dbraw/zinc/92/94/63/771929463.db2.gz NJECVVAIYMVRNX-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1cncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566491 771929466 /nfs/dbraw/zinc/92/94/66/771929466.db2.gz NJECVVAIYMVRNX-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL O=c1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o[n-]1 ZINC001185624398 771942720 /nfs/dbraw/zinc/94/27/20/771942720.db2.gz UPCVLCCECWHGBD-UHFFFAOYSA-N -2 3 322.306 0.039 20 0 DCADHL O=c1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o[n-]1 ZINC001185624398 771942721 /nfs/dbraw/zinc/94/27/21/771942721.db2.gz UPCVLCCECWHGBD-UHFFFAOYSA-N -2 3 322.306 0.039 20 0 DCADHL O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)CC3CC3)ccc21 ZINC001188974157 772394815 /nfs/dbraw/zinc/39/48/15/772394815.db2.gz QNQDEKZBOPANGF-UHFFFAOYSA-N -2 3 316.360 0.270 20 0 DCADHL COc1cc(C(=O)NCCCCP(=O)([O-])[O-])c(OC)nn1 ZINC001189078932 772417326 /nfs/dbraw/zinc/41/73/26/772417326.db2.gz RXHRJBCIFXRYCG-UHFFFAOYSA-N -2 3 319.254 0.182 20 0 DCADHL O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)Cc2cccc(F)c2F)S1 ZINC001189468904 772476417 /nfs/dbraw/zinc/47/64/17/772476417.db2.gz SRMJFJPQBVXVKP-SECBINFHSA-N -2 3 322.314 0.693 20 0 DCADHL O=c1[nH][n-]cc1CCC[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190190865 772598216 /nfs/dbraw/zinc/59/82/16/772598216.db2.gz DUNHIHNAJRETBQ-ZETCQYMHSA-N -2 3 318.305 0.150 20 0 DCADHL O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)c2cnccc2Cl)S1 ZINC001192911607 772974546 /nfs/dbraw/zinc/97/45/46/772974546.db2.gz LHQDKWVLZQUKSA-SSDOTTSWSA-N -2 3 307.740 0.322 20 0 DCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2N)cc1[O-] ZINC001193935100 773124027 /nfs/dbraw/zinc/12/40/27/773124027.db2.gz SPCXACSPEGBJEZ-UHFFFAOYSA-N -2 3 307.331 0.874 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCO2)c(F)cc1F ZINC001195246376 773354038 /nfs/dbraw/zinc/35/40/38/773354038.db2.gz FVDSWUYMIPEGGA-ZCFIWIBFSA-N -2 3 307.274 0.730 20 0 DCADHL CCC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195258252 773358085 /nfs/dbraw/zinc/35/80/85/773358085.db2.gz NFBGLYWQFIHKSV-UHFFFAOYSA-N -2 3 307.274 0.920 20 0 DCADHL CC[C@H](O)C(=O)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594338 775987348 /nfs/dbraw/zinc/98/73/48/775987348.db2.gz MMFQIABNEIFTAR-VKHMYHEASA-N -2 3 317.099 0.497 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)oc1C(=O)[O-] ZINC001600298707 1168159972 /nfs/dbraw/zinc/15/99/72/1168159972.db2.gz MREQOHSGOUQVKB-DTWKUNHWSA-N -2 3 315.347 0.868 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C(=O)OCC2(C)C)oc1C(=O)[O-] ZINC001600298181 1168159996 /nfs/dbraw/zinc/15/99/96/1168159996.db2.gz BHNGXJLVCFJBKX-SECBINFHSA-N -2 3 317.319 0.516 20 0 DCADHL 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CC(C)(O)CO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000816384225 670809047 /nfs/dbraw/zinc/80/90/47/670809047.db2.gz LUWFKADYAYSSFM-LBPRGKRZSA-N -2 3 322.361 0.816 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1 ZINC000819092317 671094930 /nfs/dbraw/zinc/09/49/30/671094930.db2.gz VJTBHKQTMUSUSP-LJGSYFOKSA-N -2 3 307.759 0.523 20 0 DCADHL O=c1[n-]c(CCCNc2ccc(F)cc2-c2nnn[n-]2)n[nH]1 ZINC000823665785 671404562 /nfs/dbraw/zinc/40/45/62/671404562.db2.gz WTRQRZOGMOQMRU-UHFFFAOYSA-N -2 3 304.289 0.874 20 0 DCADHL O=c1[n-]c(CCCNc2ccc(F)cc2-c2nn[n-]n2)n[nH]1 ZINC000823665785 671404563 /nfs/dbraw/zinc/40/45/63/671404563.db2.gz WTRQRZOGMOQMRU-UHFFFAOYSA-N -2 3 304.289 0.874 20 0 DCADHL CCC[C@@H](CCO)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573729602 1163542534 /nfs/dbraw/zinc/54/25/34/1163542534.db2.gz VTEGLDQTRAGWQE-VIFPVBQESA-N -2 3 319.383 0.493 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)c1C(=O)[O-] ZINC001574181919 1163653900 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O=C([O-])[C@]1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001593216827 1167741424 /nfs/dbraw/zinc/74/14/24/1167741424.db2.gz YMKNXQPLFMYUDY-ZDUSSCGKSA-N -2 3 318.293 0.232 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001593279354 1167755414 /nfs/dbraw/zinc/75/54/14/1167755414.db2.gz HBNCPAFOEXIMHE-NXEZZACHSA-N -2 3 319.296 0.733 20 0 DCADHL O=S(=O)([N-]c1ccncc1F)c1cncc(-c2nnn[n-]2)c1 ZINC001593446000 1167844578 /nfs/dbraw/zinc/84/45/78/1167844578.db2.gz REEWUOZGLOQHTL-UHFFFAOYSA-N -2 3 321.297 0.019 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCCn2ccnc2)cc1C(=O)[O-] ZINC001600858568 1168489688 /nfs/dbraw/zinc/48/96/88/1168489688.db2.gz ZFFKRGBRXDTORJ-UHFFFAOYSA-N -2 3 313.335 0.851 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001601205167 1168657773 /nfs/dbraw/zinc/65/77/73/1168657773.db2.gz DOXDDVGZFQBLPO-UHFFFAOYSA-N -2 3 310.310 0.330 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](O)CN(CC(=O)[N-]OCc2ccccc2)C1 ZINC001601306131 1168698619 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DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC001602589095 1169129106 /nfs/dbraw/zinc/12/91/06/1169129106.db2.gz UEYITYQOOBIBRY-ZETCQYMHSA-N -2 3 306.365 0.546 20 0 DCADHL CCC(C)=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603991157 1169465146 /nfs/dbraw/zinc/46/51/46/1169465146.db2.gz QTTPMRMAONSBES-XBXARRHUSA-N -2 3 322.350 0.423 20 0 DCADHL CCC(C)=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603991157 1169465149 /nfs/dbraw/zinc/46/51/49/1169465149.db2.gz QTTPMRMAONSBES-XBXARRHUSA-N -2 3 322.350 0.423 20 0 DCADHL CCCC=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001604157168 1169507545 /nfs/dbraw/zinc/50/75/45/1169507545.db2.gz WYNBILQJMFMNPG-SNAWJCMRSA-N -2 3 322.350 0.423 20 0 DCADHL CCCC=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001604157168 1169507550 /nfs/dbraw/zinc/50/75/50/1169507550.db2.gz WYNBILQJMFMNPG-SNAWJCMRSA-N -2 3 322.350 0.423 20 0 DCADHL CCCC=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001604157167 1169507857 /nfs/dbraw/zinc/50/78/57/1169507857.db2.gz WYNBILQJMFMNPG-PLNGDYQASA-N -2 3 322.350 0.423 20 0 DCADHL CCCC=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001604157167 1169507862 /nfs/dbraw/zinc/50/78/62/1169507862.db2.gz WYNBILQJMFMNPG-PLNGDYQASA-N -2 3 322.350 0.423 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001604230648 1169530040 /nfs/dbraw/zinc/53/00/40/1169530040.db2.gz ZMCPEZRQCATHRR-UHFFFAOYSA-N -2 3 308.273 0.402 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001604230648 1169530046 /nfs/dbraw/zinc/53/00/46/1169530046.db2.gz ZMCPEZRQCATHRR-UHFFFAOYSA-N -2 3 308.273 0.402 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001604823659 1169698405 /nfs/dbraw/zinc/69/84/05/1169698405.db2.gz JWSGLEVDUQWBJL-UHFFFAOYSA-N -2 3 314.718 0.702 20 0 DCADHL COCCCO[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001605091307 1169817916 /nfs/dbraw/zinc/81/79/16/1169817916.db2.gz OLJRWPDOZQXUMF-UHFFFAOYSA-N -2 3 317.349 0.983 20 0 DCADHL COCCCO[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001605091307 1169817927 /nfs/dbraw/zinc/81/79/27/1169817927.db2.gz OLJRWPDOZQXUMF-UHFFFAOYSA-N -2 3 317.349 0.983 20 0 DCADHL COCCS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1OC ZINC001605120673 1169832508 /nfs/dbraw/zinc/83/25/08/1169832508.db2.gz GCJKGADNSHMJHX-UHFFFAOYSA-N -2 3 313.339 0.263 20 0 DCADHL COc1cc(C(=O)NCCCC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001605197054 1169865088 /nfs/dbraw/zinc/86/50/88/1169865088.db2.gz FWCFPPVHZBIJEV-UHFFFAOYSA-N -2 3 305.294 0.470 20 0 DCADHL COc1cc(C(=O)NCCCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001605197054 1169865103 /nfs/dbraw/zinc/86/51/03/1169865103.db2.gz FWCFPPVHZBIJEV-UHFFFAOYSA-N -2 3 305.294 0.470 20 0 DCADHL CCCCC[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OC ZINC001605260335 1169882818 /nfs/dbraw/zinc/88/28/18/1169882818.db2.gz OCLFQDCUHIEKBQ-SNVBAGLBSA-N -2 3 321.395 0.893 20 0 DCADHL CCCNC(=O)[C@H](C)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605326465 1169895644 /nfs/dbraw/zinc/89/56/44/1169895644.db2.gz 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ZINC001605839715 1170010159 /nfs/dbraw/zinc/01/01/59/1170010159.db2.gz DAUNEZXGTQTTHU-UHFFFAOYSA-N -2 3 300.296 0.137 20 0 DCADHL COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606434421 1170199603 /nfs/dbraw/zinc/19/96/03/1170199603.db2.gz SWBYLONMUDVIAC-FCJGRKLLSA-N -2 3 320.348 0.237 20 0 DCADHL COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)CC(C)(C)C(C)C ZINC001606505342 1170221838 /nfs/dbraw/zinc/22/18/38/1170221838.db2.gz OEBHGCGANQKCHV-SNVBAGLBSA-N -2 3 323.411 0.994 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(C)C ZINC001606514975 1170225661 /nfs/dbraw/zinc/22/56/61/1170225661.db2.gz CEYFALXTUKINPV-HBNTYKKESA-N -2 3 321.395 0.747 20 0 DCADHL O=C(Cc1cncs1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606610467 1170242591 /nfs/dbraw/zinc/24/25/91/1170242591.db2.gz SZJIMCJGPOTUSH-UHFFFAOYSA-N -2 3 302.319 0.976 20 0 DCADHL O=C(Cc1cncs1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606610467 1170242599 /nfs/dbraw/zinc/24/25/99/1170242599.db2.gz SZJIMCJGPOTUSH-UHFFFAOYSA-N -2 3 302.319 0.976 20 0 DCADHL CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001607005396 1170353293 /nfs/dbraw/zinc/35/32/93/1170353293.db2.gz LNRBPQRULJFKMK-IUCAKERBSA-N -2 3 317.367 0.652 20 0 DCADHL C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001607420093 1170448779 /nfs/dbraw/zinc/44/87/79/1170448779.db2.gz XKKNYJLRPFAJJF-LURJTMIESA-N -2 3 310.759 0.860 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c1C(=O)[O-] ZINC001607939941 1170528785 /nfs/dbraw/zinc/52/87/85/1170528785.db2.gz IAFYCQZRQQCIGB-VXNVDRBHSA-N -2 3 317.367 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCC(C)(C)CO)c1C(=O)[O-] ZINC001607938257 1170529423 /nfs/dbraw/zinc/52/94/23/1170529423.db2.gz OBLHSTXABKPPFI-UHFFFAOYSA-N -2 3 319.383 0.493 20 0 DCADHL O=C([O-])[C@H](CNC(=O)c1c[n-]ncc1=O)c1ccc(F)cc1 ZINC001608416385 1170673630 /nfs/dbraw/zinc/67/36/30/1170673630.db2.gz BDCWOZKPDRNUII-SNVBAGLBSA-N -2 3 305.265 0.920 20 0 DCADHL O=C([O-])C1=CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001608476501 1170687350 /nfs/dbraw/zinc/68/73/50/1170687350.db2.gz RJWDPQQTLBNYEN-LURJTMIESA-N -2 3 319.243 0.796 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(Cl)nc1 ZINC001608965222 1170777450 /nfs/dbraw/zinc/77/74/50/1170777450.db2.gz FYXBHHAVSPXPIT-UHFFFAOYSA-N -2 3 316.726 0.635 20 0 DCADHL O=C([O-])c1coc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC001608986453 1170780979 /nfs/dbraw/zinc/78/09/79/1170780979.db2.gz IQUVJFDVDNZJAH-UHFFFAOYSA-N -2 3 318.285 0.843 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1=CCCC1 ZINC001609560569 1171021381 /nfs/dbraw/zinc/02/13/81/1171021381.db2.gz VZNJQWVDLXTNFD-UHFFFAOYSA-N -2 3 319.346 0.782 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1=CCCC1 ZINC001609560569 1171021389 /nfs/dbraw/zinc/02/13/89/1171021389.db2.gz VZNJQWVDLXTNFD-UHFFFAOYSA-N -2 3 319.346 0.782 20 0 DCADHL CC(C)(CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C(=O)[O-] ZINC001609677976 1171064393 /nfs/dbraw/zinc/06/43/93/1171064393.db2.gz MHSDSDPYNGYNMW-UHFFFAOYSA-N -3 3 317.319 0.943 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)OC ZINC001609933496 1171123588 /nfs/dbraw/zinc/12/35/88/1171123588.db2.gz HIUKJFVYMWSRKZ-SECBINFHSA-N -2 3 307.368 0.502 20 0 DCADHL COc1ccc(-n2cc([O-])c(C(=O)N(C)c3nnn[n-]3)n2)cc1 ZINC001642427619 1171945534 /nfs/dbraw/zinc/94/55/34/1171945534.db2.gz QYVZDKLVADISJM-UHFFFAOYSA-N -2 3 315.293 0.376 20 0 DCADHL COc1ccc(-n2cc([O-])c(C(=O)N(C)c3nn[n-]n3)n2)cc1 ZINC001642427619 1171945539 /nfs/dbraw/zinc/94/55/39/1171945539.db2.gz QYVZDKLVADISJM-UHFFFAOYSA-N -2 3 315.293 0.376 20 0 DCADHL O=c1nc2nc(Br)[n-]c2c(OC[C@H]2COCO2)[n-]1 ZINC001227594372 749266516 /nfs/dbraw/zinc/26/65/16/749266516.db2.gz MQYGCDKVCKUUSA-SCSAIBSYSA-N -2 3 317.099 0.573 20 0 DCADHL Cc1c(C(=O)NCCCCP(=O)([O-])[O-])cnc2ccnn21 ZINC001151433456 769341182 /nfs/dbraw/zinc/34/11/82/769341182.db2.gz QJYBPXVVKVXGSQ-UHFFFAOYSA-N -2 3 312.266 0.725 20 0 DCADHL CCOC(=O)N1CCC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233936098 769500690 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/nfs/dbraw/zinc/26/22/45/997262245.db2.gz NIHFHFWYFYRLCO-SNVBAGLBSA-N -2 3 321.395 0.702 20 0 DCADHL CON1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC001599321090 997582680 /nfs/dbraw/zinc/58/26/80/997582680.db2.gz ZSTIIICOWSYPEC-UHFFFAOYSA-N -2 3 318.351 0.590 20 0 DCADHL CO[C@H]1CN(Cc2nc3c(c(=O)[n-]2)COCC3)[C@](C)(C(=O)[O-])C1 ZINC001599135609 998035890 /nfs/dbraw/zinc/03/58/90/998035890.db2.gz VZWIFHDBXURYHH-PSLIRLAXSA-N -2 3 323.349 0.319 20 0 DCADHL COc1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nn1C ZINC001599356446 998186892 /nfs/dbraw/zinc/18/68/92/998186892.db2.gz MUDKEXJCBSNQHN-UHFFFAOYSA-N -2 3 311.323 0.550 20 0 DCADHL COCC(COC)[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599166364 998548410 /nfs/dbraw/zinc/54/84/10/998548410.db2.gz NPSZOZCMVIQKLD-UHFFFAOYSA-N -2 3 309.384 0.212 20 0 DCADHL COC(=O)c1[n-]cnc1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001599015345 998933394 /nfs/dbraw/zinc/93/33/94/998933394.db2.gz DHJXCNXJCWOOAM-UHFFFAOYSA-N -2 3 308.250 0.454 20 0 DCADHL COC(=O)c1nc[n-]c1NC(=O)CCc1ocnc1C(=O)[O-] ZINC001599015345 998933399 /nfs/dbraw/zinc/93/33/99/998933399.db2.gz DHJXCNXJCWOOAM-UHFFFAOYSA-N -2 3 308.250 0.454 20 0 DCADHL CO[C@H](CS(=O)(=O)[N-]Cc1nc(C(=O)[O-])co1)C(C)C ZINC001599055323 999225441 /nfs/dbraw/zinc/22/54/41/999225441.db2.gz CTJKDDFZYOUMTA-SECBINFHSA-N -2 3 306.340 0.463 20 0 DCADHL Cc1n[nH]c(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1C(F)(F)F ZINC001470585360 1016462137 /nfs/dbraw/zinc/46/21/37/1016462137.db2.gz ADFHHVQCGVKYQS-UHFFFAOYSA-N -2 3 317.227 0.868 20 0 DCADHL COC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1nn[n-]n1 ZINC001434364484 1009836390 /nfs/dbraw/zinc/83/63/90/1009836390.db2.gz RVOXSXQWRLESJF-MRVPVSSYSA-N -2 3 312.280 0.499 20 0 DCADHL C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1nn(C)cc1[O-] ZINC001456780299 1011456798 /nfs/dbraw/zinc/45/67/98/1011456798.db2.gz DKVJKAPEBREXRX-ZETCQYMHSA-N -2 3 303.322 0.990 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001558077973 1012317989 /nfs/dbraw/zinc/31/79/89/1012317989.db2.gz GBMBRXXLBLDMDF-SECBINFHSA-N -2 3 316.321 0.493 20 0 DCADHL C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000567792617 291377956 /nfs/dbraw/zinc/37/79/56/291377956.db2.gz LLYPLDATQDUKHJ-IUCAKERBSA-N -2 3 319.335 0.450 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(F)c1 ZINC000092114038 193161856 /nfs/dbraw/zinc/16/18/56/193161856.db2.gz PAWMSWBXPQLSGI-SECBINFHSA-N -2 3 303.311 0.981 20 0 DCADHL CC(C)NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114231 193162256 /nfs/dbraw/zinc/16/22/56/193162256.db2.gz PQJJVDJIOBMPGR-UHFFFAOYSA-N -2 3 318.326 0.327 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])nc1Cl ZINC000275082356 212110624 /nfs/dbraw/zinc/11/06/24/212110624.db2.gz YWXTWQLKAYDJBQ-UHFFFAOYSA-N -2 3 309.775 0.853 20 0 DCADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000275072834 212105980 /nfs/dbraw/zinc/10/59/80/212105980.db2.gz WWTWWXIAFDOGMF-MNOVXSKESA-N -2 3 313.379 0.847 20 0 DCADHL Cc1cc(CS(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])on1 ZINC000571853924 291535898 /nfs/dbraw/zinc/53/58/98/291535898.db2.gz SIQOUCBPJQQCAE-SSDOTTSWSA-N -2 3 316.257 0.808 20 0 DCADHL CCCC[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000274125212 211378553 /nfs/dbraw/zinc/37/85/53/211378553.db2.gz ZYIPISWOMVMRFK-ZETCQYMHSA-N -2 3 309.775 0.995 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCOC2)s1 ZINC000574512575 291699082 /nfs/dbraw/zinc/69/90/82/291699082.db2.gz QUUFKBHCTHZUTH-WPRPVWTQSA-N -2 3 320.392 0.610 20 0 DCADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c1 ZINC000050397510 183784978 /nfs/dbraw/zinc/78/49/78/183784978.db2.gz ZMCPQEQUUOPSKY-ZETCQYMHSA-N -2 3 304.349 0.003 20 0 DCADHL COc1ccc(Br)c(S(=O)(=O)[N-]CC(=O)[O-])c1 ZINC000340446672 253256056 /nfs/dbraw/zinc/25/60/56/253256056.db2.gz ADXBCKFMVGBLIV-UHFFFAOYSA-N -2 3 324.152 0.821 20 0 DCADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCN2CCOCC2)c1 ZINC000013306304 395688516 /nfs/dbraw/zinc/68/85/16/395688516.db2.gz LXRZPZHYPKDECG-UHFFFAOYSA-N -2 3 320.392 0.057 20 0 DCADHL CCC[C@H](C[N-]S(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000087501246 395706414 /nfs/dbraw/zinc/70/64/14/395706414.db2.gz VOJKQLVTWHPMHY-SNVBAGLBSA-N -2 3 303.384 0.991 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)C(=O)[O-] ZINC000035233296 395719802 /nfs/dbraw/zinc/71/98/02/395719802.db2.gz OUECLYUMUSSSIG-QMMMGPOBSA-N -2 3 319.335 0.825 20 0 DCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000216278384 395837311 /nfs/dbraw/zinc/83/73/11/395837311.db2.gz GILKBWSMRUCPTQ-MRVPVSSYSA-N -2 3 323.273 0.259 20 0 DCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000070141634 396100003 /nfs/dbraw/zinc/10/00/03/396100003.db2.gz FOMQAWRSKIPCDV-VIFPVBQESA-N -2 3 319.310 0.429 20 0 DCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000070141589 396100036 /nfs/dbraw/zinc/10/00/36/396100036.db2.gz GILKBWSMRUCPTQ-QMMMGPOBSA-N -2 3 323.273 0.259 20 0 DCADHL CC(C)Sc1nc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)n[n-]1 ZINC000278527656 396129303 /nfs/dbraw/zinc/12/93/03/396129303.db2.gz HUJZZZJBJNIUIR-SSDOTTSWSA-N -2 3 321.428 0.524 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000263424842 396216581 /nfs/dbraw/zinc/21/65/81/396216581.db2.gz LYHJVSOOYNPLRC-GFCCVEGCSA-N -2 3 320.345 0.896 20 0 DCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)s1 ZINC000263542753 396219694 /nfs/dbraw/zinc/21/96/94/396219694.db2.gz DXWXMOXJHYCHDX-QMMMGPOBSA-N -2 3 321.380 0.489 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)[O-] ZINC000580771251 396498520 /nfs/dbraw/zinc/49/85/20/396498520.db2.gz BBEBVOSLCSXLCF-SECBINFHSA-N -2 3 320.367 0.491 20 0 DCADHL O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290953289 396476306 /nfs/dbraw/zinc/47/63/06/396476306.db2.gz MJLQMBHSCKLGDE-SCSAIBSYSA-N -2 3 319.282 0.491 20 0 DCADHL CCOC[C@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000562230189 396653124 /nfs/dbraw/zinc/65/31/24/396653124.db2.gz DQLGIVZFTXYNJP-ZETCQYMHSA-N -2 3 308.381 0.474 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000563069370 396699193 /nfs/dbraw/zinc/69/91/93/396699193.db2.gz VFYRPSPZHZPDSL-QNSHHTMESA-N -2 3 315.351 0.344 20 0 DCADHL O=C([O-])c1n[nH]c2c1CN(c1nc3nncc-3c(O)[n-]1)CC2 ZINC000563961316 396800265 /nfs/dbraw/zinc/80/02/65/396800265.db2.gz ZFUAKBNQPYYPII-UHFFFAOYSA-N -2 3 301.266 0.043 20 0 DCADHL C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000629991959 396908086 /nfs/dbraw/zinc/90/80/86/396908086.db2.gz KTPJPBBSKQFEPP-NKWVEPMBSA-N -2 3 320.309 0.004 20 0 DCADHL CCOC(=O)c1nc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c[n-]1 ZINC000592385126 397165996 /nfs/dbraw/zinc/16/59/96/397165996.db2.gz KIEXNPXYULOTGH-SECBINFHSA-N -2 3 319.383 0.999 20 0 DCADHL CC(=O)c1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1[O-] ZINC000613474438 397264584 /nfs/dbraw/zinc/26/45/84/397264584.db2.gz HVIVXSBVMUHRGC-QMMMGPOBSA-N -2 3 303.322 0.984 20 0 DCADHL CC(=O)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1[O-] ZINC000613474438 397264590 /nfs/dbraw/zinc/26/45/90/397264590.db2.gz HVIVXSBVMUHRGC-QMMMGPOBSA-N -2 3 303.322 0.984 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)n1 ZINC000578067546 397385305 /nfs/dbraw/zinc/38/53/05/397385305.db2.gz UGLNMBAMFPDWQE-UHFFFAOYSA-N -2 3 301.368 0.876 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)cn1C ZINC000050253071 158011851 /nfs/dbraw/zinc/01/18/51/158011851.db2.gz ROTJQAYRGOHGGT-GFCCVEGCSA-N -2 3 309.347 0.833 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCCCO1 ZINC000408495142 160119799 /nfs/dbraw/zinc/11/97/99/160119799.db2.gz FNUYTGGZLKYKOZ-NSHDSACASA-N -2 3 310.335 0.332 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1c[n-]nc1-c1ccccn1 ZINC000354960228 287172306 /nfs/dbraw/zinc/17/23/06/287172306.db2.gz RLSANZDQGRVOKU-UHFFFAOYSA-N -2 3 313.321 0.658 20 0 DCADHL COc1ccsc1S(=O)(=O)[N-]CCSCC(=O)[O-] ZINC000274936693 415364159 /nfs/dbraw/zinc/36/41/59/415364159.db2.gz DJZLJJDLTATDIZ-UHFFFAOYSA-N -2 3 311.406 0.853 20 0 DCADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000093091657 415543121 /nfs/dbraw/zinc/54/31/21/415543121.db2.gz QVAVKINHASLTNL-MRVPVSSYSA-N -3 3 309.246 0.171 20 0 DCADHL C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)[C@H]1C(=O)[O-] ZINC000424235035 416630931 /nfs/dbraw/zinc/63/09/31/416630931.db2.gz BNJJKYQCXWVPTL-LDYMZIIASA-N -2 3 308.338 0.574 20 0 DCADHL CCOc1ccncc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000515809233 416710581 /nfs/dbraw/zinc/71/05/81/416710581.db2.gz RYCGTZMHUVWRHQ-UHFFFAOYSA-N -2 3 302.352 0.869 20 0 DCADHL C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000557082985 416725022 /nfs/dbraw/zinc/72/50/22/416725022.db2.gz WSKUHKUHMPFYCQ-RKDXNWHRSA-N -2 3 301.368 0.779 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC[C@@H]1CCCO1 ZINC000645947714 417829505 /nfs/dbraw/zinc/82/95/05/417829505.db2.gz SCKIKIDKDGZJKX-ZETCQYMHSA-N -2 3 306.365 0.689 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(F)c1F ZINC000629294725 417773846 /nfs/dbraw/zinc/77/38/46/417773846.db2.gz AQNNZTYRGZIDJT-ZETCQYMHSA-N -2 3 309.290 0.387 20 0 DCADHL CC(C)c1nc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)c[nH]1 ZINC000646028452 417853495 /nfs/dbraw/zinc/85/34/95/417853495.db2.gz YDYYXVGADCFTRF-NSHDSACASA-N -2 3 319.408 0.772 20 0 DCADHL O=C(CN1CC(=O)[N-]C1=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000646464952 417853834 /nfs/dbraw/zinc/85/38/34/417853834.db2.gz DQCQIFOVJIXIJU-UHFFFAOYSA-N -2 3 315.289 0.273 20 0 DCADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cscn2)CCOCC1 ZINC000647642479 418036585 /nfs/dbraw/zinc/03/65/85/418036585.db2.gz KJCSLZSNTOVMKB-UHFFFAOYSA-N -2 3 306.365 0.303 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)cc1C(=O)[O-] ZINC000650442901 418311079 /nfs/dbraw/zinc/31/10/79/418311079.db2.gz ZRDUOAPVIIYEMW-QNSHHTMESA-N -2 3 301.320 0.884 20 0 DCADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-] ZINC000656163494 418332303 /nfs/dbraw/zinc/33/23/03/418332303.db2.gz ZIEDNYYBXMMMPF-LURJTMIESA-N -2 3 311.722 0.408 20 0 DCADHL CC(C)C[C@H](CNC(=O)C(=O)[N-]c1cnns1)C(=O)[O-] ZINC000424432602 262496807 /nfs/dbraw/zinc/49/68/07/262496807.db2.gz FJURPRMGHSVMCD-SSDOTTSWSA-N -2 3 300.340 0.340 20 0 DCADHL Cc1nc(C[N-]S(=O)(=O)Cc2ccon2)sc1C(=O)[O-] ZINC000547877781 288087828 /nfs/dbraw/zinc/08/78/28/288087828.db2.gz QTJJYAGNQKKPQX-UHFFFAOYSA-N -2 3 317.348 0.757 20 0 DCADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000548558331 288154337 /nfs/dbraw/zinc/15/43/37/288154337.db2.gz YSMFTOVYTALSHI-MRVPVSSYSA-N -2 3 319.339 0.070 20 0 DCADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)[C@H](CC)C(=O)[O-] ZINC000548558331 288154339 /nfs/dbraw/zinc/15/43/39/288154339.db2.gz YSMFTOVYTALSHI-MRVPVSSYSA-N -2 3 319.339 0.070 20 0 DCADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-])C1CC1 ZINC000548990400 288189457 /nfs/dbraw/zinc/18/94/57/288189457.db2.gz KBQPQOAQCZINIC-WRWORJQWSA-N -2 3 302.327 0.998 20 0 DCADHL C[C@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CC(=O)[O-] ZINC000157794108 524465205 /nfs/dbraw/zinc/46/52/05/524465205.db2.gz XXHIGSXDRTYFJQ-VIFPVBQESA-N -2 3 314.363 0.899 20 0 DCADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c[nH]1 ZINC000681567296 548264389 /nfs/dbraw/zinc/26/43/89/548264389.db2.gz VXTRXUNXCQNGPT-WCBMZHEXSA-N -2 3 317.367 0.301 20 0 DCADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c[nH]1 ZINC000681567298 548264482 /nfs/dbraw/zinc/26/44/82/548264482.db2.gz VXTRXUNXCQNGPT-WPRPVWTQSA-N -2 3 317.367 0.301 20 0 DCADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c[nH]1 ZINC000681567294 548264713 /nfs/dbraw/zinc/26/47/13/548264713.db2.gz VXTRXUNXCQNGPT-PSASIEDQSA-N -2 3 317.367 0.301 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737610908 598842067 /nfs/dbraw/zinc/84/20/67/598842067.db2.gz AGARPCXGBSNDQU-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737610908 598842068 /nfs/dbraw/zinc/84/20/68/598842068.db2.gz AGARPCXGBSNDQU-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822923404 599620232 /nfs/dbraw/zinc/62/02/32/599620232.db2.gz QZNCYDZQVPDNCE-FPYGCLRLSA-N -2 3 319.346 0.638 20 0 DCADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822923404 599620233 /nfs/dbraw/zinc/62/02/33/599620233.db2.gz QZNCYDZQVPDNCE-FPYGCLRLSA-N -2 3 319.346 0.638 20 0 DCADHL COC(=O)CN(CC(=O)[O-])C(=O)c1nnc2ccccc2c1[O-] ZINC000737614252 600175620 /nfs/dbraw/zinc/17/56/20/600175620.db2.gz ZIBCHAFBOKBNPT-UHFFFAOYSA-N -2 3 319.273 0.035 20 0 DCADHL O=C([O-])C1CCN(C(=O)COC(=O)c2cncc([O-])c2)CC1 ZINC000738715727 600178670 /nfs/dbraw/zinc/17/86/70/600178670.db2.gz MPEHTWAGVWPLLW-UHFFFAOYSA-N -2 3 308.290 0.267 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(F)c1 ZINC000826292931 607461943 /nfs/dbraw/zinc/46/19/43/607461943.db2.gz SSVDYALSUXZPCG-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL O=C([O-])c1cccc(NC(=O)Cn2cc(Cl)c(=O)[n-]c2=O)c1 ZINC000833121928 600901489 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O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1c[nH]cn1 ZINC000823583626 606212851 /nfs/dbraw/zinc/21/28/51/606212851.db2.gz WGOOFJFLUVHSEN-UHFFFAOYSA-N -2 3 307.295 0.096 20 0 DCADHL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825106481 607777973 /nfs/dbraw/zinc/77/79/73/607777973.db2.gz DFUOVHNNUHKUHG-UHFFFAOYSA-N -2 3 312.355 0.443 20 0 DCADHL CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825106481 607777974 /nfs/dbraw/zinc/77/79/74/607777974.db2.gz DFUOVHNNUHKUHG-UHFFFAOYSA-N -2 3 312.355 0.443 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825029470 608038543 /nfs/dbraw/zinc/03/85/43/608038543.db2.gz SYZOOQIKSIKZTM-OQFOIZHKSA-N -2 3 321.362 0.779 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825029470 608038544 /nfs/dbraw/zinc/03/85/44/608038544.db2.gz SYZOOQIKSIKZTM-OQFOIZHKSA-N -2 3 321.362 0.779 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cn[nH]c1 ZINC000826280147 608057573 /nfs/dbraw/zinc/05/75/73/608057573.db2.gz PHRFRNSOAHLJJW-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cn[nH]c1 ZINC000826280147 608057574 /nfs/dbraw/zinc/05/75/74/608057574.db2.gz PHRFRNSOAHLJJW-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-][N-]C(=O)C(C)C)c1 ZINC000028198322 661434568 /nfs/dbraw/zinc/43/45/68/661434568.db2.gz MRRISXYLXBSLQG-UHFFFAOYSA-N -2 3 314.363 0.747 20 0 DCADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1nn[n-]n1 ZINC000728209141 662367908 /nfs/dbraw/zinc/36/79/08/662367908.db2.gz ZTQWRKZCEORUGU-UHFFFAOYSA-N -2 3 317.334 0.227 20 0 DCADHL CO[C@@H](CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-])c1ccccc1 ZINC000906004732 663595044 /nfs/dbraw/zinc/59/50/44/663595044.db2.gz KNGVBZOVHXGCSS-QWRGUYRKSA-N -2 3 305.327 0.716 20 0 DCADHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000055617589 664381257 /nfs/dbraw/zinc/38/12/57/664381257.db2.gz YNZFCPZNCURUMA-VIFPVBQESA-N -2 3 314.363 0.829 20 0 DCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2CC(C(=O)[O-])C2)c(C)o1 ZINC000864206856 667224512 /nfs/dbraw/zinc/22/45/12/667224512.db2.gz CIPHSYNTDXIOKS-UHFFFAOYSA-N -2 3 316.335 0.089 20 0 DCADHL O=C(CCCCCCCC(=O)Nc1nnn[n-]1)Nc1nnn[n-]1 ZINC000219560457 667769926 /nfs/dbraw/zinc/76/99/26/667769926.db2.gz RCHNDZORIGHNDT-UHFFFAOYSA-N -2 3 322.333 0.021 20 0 DCADHL O=C(CCCCCCCC(=O)Nc1nnn[n-]1)Nc1nn[n-]n1 ZINC000219560457 667769929 /nfs/dbraw/zinc/76/99/29/667769929.db2.gz RCHNDZORIGHNDT-UHFFFAOYSA-N -2 3 322.333 0.021 20 0 DCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000769753349 668660165 /nfs/dbraw/zinc/66/01/65/668660165.db2.gz NGMWNWWXCRHVDL-UHFFFAOYSA-N -2 3 322.409 0.875 20 0 DCADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000776562712 668877743 /nfs/dbraw/zinc/87/77/43/668877743.db2.gz FRCRGBVGPZLMPM-ZETCQYMHSA-N -2 3 309.775 0.709 20 0 DCADHL O=C(c1ccc([O-])cc1F)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798271264 669996019 /nfs/dbraw/zinc/99/60/19/669996019.db2.gz ZOVMNWVVGMRODK-UHFFFAOYSA-N -2 3 307.285 0.168 20 0 DCADHL O=C(c1ccc([O-])cc1F)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798271264 669996022 /nfs/dbraw/zinc/99/60/22/669996022.db2.gz ZOVMNWVVGMRODK-UHFFFAOYSA-N -2 3 307.285 0.168 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1 ZINC000819107047 671096305 /nfs/dbraw/zinc/09/63/05/671096305.db2.gz CVDRSFTZKOAHNL-GFCCVEGCSA-N -2 3 318.351 0.594 20 0 DCADHL CCN(CC(=O)N=c1cc(C(C)(C)C)[n-]n1C)[C@H](C)C(=O)[O-] ZINC000852737857 671154472 /nfs/dbraw/zinc/15/44/72/671154472.db2.gz YASDLYVUMOBVDB-SNVBAGLBSA-N -2 3 310.398 0.873 20 0 DCADHL CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000821145517 671257230 /nfs/dbraw/zinc/25/72/30/671257230.db2.gz YXPPQRIZRUVJBM-UHFFFAOYSA-N -2 3 310.328 0.908 20 0 DCADHL O=C([O-])C1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000826417240 671487443 /nfs/dbraw/zinc/48/74/43/671487443.db2.gz JRIDJMFDMJZHJP-UHFFFAOYSA-N -2 3 317.305 0.369 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000844821900 672205081 /nfs/dbraw/zinc/20/50/81/672205081.db2.gz QPQKEOCNEUXCIK-LURJTMIESA-N -2 3 321.786 0.914 20 0 DCADHL CC(=O)NCCN(C(=O)c1ccc(N)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000844932788 672210072 /nfs/dbraw/zinc/21/00/72/672210072.db2.gz OHEJWQSXLNHCAZ-QMMMGPOBSA-N -2 3 309.322 0.026 20 0 DCADHL C[C@@H](CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001609739486 1159819845 /nfs/dbraw/zinc/81/98/45/1159819845.db2.gz QNHZHNFWRCAFMC-YFKPBYRVSA-N -3 3 308.337 0.230 20 0 DCADHL C[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC(=O)[O-] ZINC001573550293 1163488696 /nfs/dbraw/zinc/48/86/96/1163488696.db2.gz FGBQDMDNNVCXTM-CVJBHZAOSA-N -2 3 314.429 0.828 20 0 DCADHL C[C@H](NC(=O)c1cccc2n[n-]nc21)C1(C(=O)[O-])CCOCC1 ZINC001573571377 1163504659 /nfs/dbraw/zinc/50/46/59/1163504659.db2.gz HYKMKNXDSUHRPJ-VIFPVBQESA-N -2 3 318.333 0.958 20 0 DCADHL C[C@]1(C(=O)[O-])CN(C(=O)c2nnc3ccccc3c2[O-])CCO1 ZINC001573605929 1163514690 /nfs/dbraw/zinc/51/46/90/1163514690.db2.gz GOVUCNHTTZLFAQ-OAHLLOKOSA-N -2 3 317.301 0.651 20 0 DCADHL CCC(CC)(CO)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573693927 1163537684 /nfs/dbraw/zinc/53/76/84/1163537684.db2.gz BXQYVMNNONUNMF-UHFFFAOYSA-N -2 3 319.383 0.493 20 0 DCADHL O=C([O-])COc1ccc(CCNC(=O)c2cnncc2[O-])cc1 ZINC001574371707 1163708485 /nfs/dbraw/zinc/70/84/85/1163708485.db2.gz JIIRIPDFPDDTIT-UHFFFAOYSA-N -2 3 317.301 0.618 20 0 DCADHL Cc1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)cc1-c1nnn[n-]1 ZINC001581143141 1165789631 /nfs/dbraw/zinc/78/96/31/1165789631.db2.gz ZHLJRHSTGOCZOR-UHFFFAOYSA-N -2 3 315.293 0.124 20 0 DCADHL Cc1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)cc1-c1nn[n-]n1 ZINC001581143141 1165789640 /nfs/dbraw/zinc/78/96/40/1165789640.db2.gz ZHLJRHSTGOCZOR-UHFFFAOYSA-N -2 3 315.293 0.124 20 0 DCADHL C[C@@H](C(=O)Nc1ccc(F)cc1[O-])n1cnc(-c2nnn[n-]2)n1 ZINC001589017625 1166628151 /nfs/dbraw/zinc/62/81/51/1166628151.db2.gz GCBQXDAYHQROHN-LURJTMIESA-N -2 3 318.272 0.503 20 0 DCADHL C[C@@H](C(=O)Nc1ccc(F)cc1[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001589017625 1166628157 /nfs/dbraw/zinc/62/81/57/1166628157.db2.gz GCBQXDAYHQROHN-LURJTMIESA-N -2 3 318.272 0.503 20 0 DCADHL COC[C@H](C)n1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001591375231 1167246897 /nfs/dbraw/zinc/24/68/97/1167246897.db2.gz NBSUEFQCWYVMDG-VIFPVBQESA-N -2 3 300.322 0.838 20 0 DCADHL Cc1cc(C=O)c([O-])c(C(=O)n2ncc(-c3nnn[n-]3)c2N)c1 ZINC001591958738 1167425099 /nfs/dbraw/zinc/42/50/99/1167425099.db2.gz LYLJFRGGFDSHRV-UHFFFAOYSA-N -2 3 313.277 0.160 20 0 DCADHL Cc1cc(C=O)c([O-])c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001591958738 1167425101 /nfs/dbraw/zinc/42/51/01/1167425101.db2.gz LYLJFRGGFDSHRV-UHFFFAOYSA-N -2 3 313.277 0.160 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC001592104255 1167455683 /nfs/dbraw/zinc/45/56/83/1167455683.db2.gz STGQZCZCRCGTAN-GHMZBOCLSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1ncc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)o1 ZINC001592411150 1167514913 /nfs/dbraw/zinc/51/49/13/1167514913.db2.gz SVQHMOBBLFULIX-UHFFFAOYSA-N -2 3 300.278 0.816 20 0 DCADHL Cc1ncc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)o1 ZINC001592411150 1167514918 /nfs/dbraw/zinc/51/49/18/1167514918.db2.gz SVQHMOBBLFULIX-UHFFFAOYSA-N -2 3 300.278 0.816 20 0 DCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1c(F)ccc([O-])c1F ZINC001592753084 1167630830 /nfs/dbraw/zinc/63/08/30/1167630830.db2.gz JMEWQAKDNLUDHP-UHFFFAOYSA-N -2 3 307.220 0.318 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593272488 1167750726 /nfs/dbraw/zinc/75/07/26/1167750726.db2.gz BTQUPMXPHNVMRK-SECBINFHSA-N -2 3 302.294 0.805 20 0 DCADHL O=C([O-])[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC001593277233 1167752064 /nfs/dbraw/zinc/75/20/64/1167752064.db2.gz VMUXRTPYHSOOOM-SECBINFHSA-N -2 3 309.713 0.810 20 0 DCADHL O=C([O-])[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC001593277233 1167752066 /nfs/dbraw/zinc/75/20/66/1167752066.db2.gz VMUXRTPYHSOOOM-SECBINFHSA-N -2 3 309.713 0.810 20 0 DCADHL O=C([O-])[C@H]1COCCN1Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001593277204 1167752670 /nfs/dbraw/zinc/75/26/70/1167752670.db2.gz UHDMIKIYUGKSHH-LLVKDONJSA-N -2 3 323.740 0.806 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])oc1C(=O)[O-] ZINC001600296470 1168157962 /nfs/dbraw/zinc/15/79/62/1168157962.db2.gz CMHHYPQFFJGEOQ-NKWVEPMBSA-N -3 3 305.308 0.674 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)oc1C(=O)[O-] ZINC001600296601 1168158229 /nfs/dbraw/zinc/15/82/29/1168158229.db2.gz CXYSOHLWCSDGCX-VIFPVBQESA-N -2 3 303.336 0.726 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(N)=O)C2)oc1C(=O)[O-] ZINC001600300526 1168161260 /nfs/dbraw/zinc/16/12/60/1168161260.db2.gz WTNBOHRWWCQNMF-JGVFFNPUSA-N -2 3 316.335 0.219 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC001600733687 1168265976 /nfs/dbraw/zinc/26/59/76/1168265976.db2.gz WGKLUUJKTLJYEQ-JQWIXIFHSA-N -2 3 323.349 0.277 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)s1 ZINC001600746794 1168273258 /nfs/dbraw/zinc/27/32/58/1168273258.db2.gz KLNJVAXWQKVOEU-XAVMHZPKSA-N -2 3 302.377 0.839 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001600855615 1168487614 /nfs/dbraw/zinc/48/76/14/1168487614.db2.gz RFHCVGCAQBBTKH-WDSKDSINSA-N -3 3 305.308 0.674 20 0 DCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001601140452 1168596022 /nfs/dbraw/zinc/59/60/22/1168596022.db2.gz VUGRJENOMFYWSD-NSHDSACASA-N -2 3 324.314 0.483 20 0 DCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001601139418 1168596137 /nfs/dbraw/zinc/59/61/37/1168596137.db2.gz LDQZGCZINUFOCX-SNVBAGLBSA-N -2 3 324.314 0.483 20 0 DCADHL O=C([O-])[C@@H](CC1CC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322384 1168707744 /nfs/dbraw/zinc/70/77/44/1168707744.db2.gz MHQPQPLBCFIUFF-GFCCVEGCSA-N -2 3 306.318 0.492 20 0 DCADHL O=C([O-])c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)no1 ZINC001601593552 1168791669 /nfs/dbraw/zinc/79/16/69/1168791669.db2.gz BEZKXEFBQRGFBB-UHFFFAOYSA-N -2 3 300.234 0.805 20 0 DCADHL O=C([O-])c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)no1 ZINC001601593552 1168791672 /nfs/dbraw/zinc/79/16/72/1168791672.db2.gz BEZKXEFBQRGFBB-UHFFFAOYSA-N -2 3 300.234 0.805 20 0 DCADHL O=C([O-])C[C@H](O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001601911696 1168931786 /nfs/dbraw/zinc/93/17/86/1168931786.db2.gz XJUMBZLURYGRPB-VIFPVBQESA-N -2 3 307.224 0.976 20 0 DCADHL O=C([O-])CCc1ccccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001602045067 1168975015 /nfs/dbraw/zinc/97/50/15/1168975015.db2.gz LHQINNXCQRFICD-GFCCVEGCSA-N -2 3 317.345 0.946 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1 ZINC001602587487 1169127492 /nfs/dbraw/zinc/12/74/92/1169127492.db2.gz UUQIIFOJHBEEKA-ZETCQYMHSA-N -3 3 320.348 0.373 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-] ZINC001602588115 1169127777 /nfs/dbraw/zinc/12/77/77/1169127777.db2.gz MTIGNJQCAPELGX-LURJTMIESA-N -3 3 320.348 0.373 20 0 DCADHL CC(C)OCCONC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001603354222 1169299834 /nfs/dbraw/zinc/29/98/34/1169299834.db2.gz NEDSCKRMVQYAOJ-UHFFFAOYSA-N -2 3 307.310 0.659 20 0 DCADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC(=O)[O-] ZINC001604142419 1169504743 /nfs/dbraw/zinc/50/47/43/1169504743.db2.gz STDTVIBVVJYJPY-SSDOTTSWSA-N -3 3 305.308 0.757 20 0 DCADHL Cc1coc(CC(=O)[O-])c1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001604616499 1169631815 /nfs/dbraw/zinc/63/18/15/1169631815.db2.gz WMISMGKQYZQAIT-VIFPVBQESA-N -2 3 307.306 0.457 20 0 DCADHL C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604722695 1169663661 /nfs/dbraw/zinc/66/36/61/1169663661.db2.gz ALIHRXYSIUBXEC-UFBFGSQYSA-N -2 3 303.336 0.807 20 0 DCADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)OC ZINC001604954757 1169762063 /nfs/dbraw/zinc/76/20/63/1169762063.db2.gz OSTBRWKXYYYBGZ-IVZWLZJFSA-N -2 3 309.384 0.604 20 0 DCADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)OC ZINC001604954758 1169763524 /nfs/dbraw/zinc/76/35/24/1169763524.db2.gz OSTBRWKXYYYBGZ-LPEHRKFASA-N -2 3 309.384 0.604 20 0 DCADHL CCCNC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605326469 1169894652 /nfs/dbraw/zinc/89/46/52/1169894652.db2.gz WQPMTVLVNOXSLQ-GPZIFOQPSA-N -2 3 312.366 0.399 20 0 DCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001605555706 1169959949 /nfs/dbraw/zinc/95/99/49/1169959949.db2.gz DBAWUMNKPMPDIW-KXUCPTDWSA-N -2 3 321.395 0.747 20 0 DCADHL CCOc1ccc(C[C@H](CNC(=O)c2cn[n-]n2)C(=O)[O-])cc1 ZINC001605686794 1169986250 /nfs/dbraw/zinc/98/62/50/1169986250.db2.gz ZPQSQXJOVWEVDI-LLVKDONJSA-N -2 3 318.333 0.877 20 0 DCADHL CCc1ncc(C[N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)o1 ZINC001605861699 1170015740 /nfs/dbraw/zinc/01/57/40/1170015740.db2.gz XXKRFOKBGAMLAW-UHFFFAOYSA-N -2 3 311.319 0.809 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cn1 ZINC001605882251 1170021737 /nfs/dbraw/zinc/02/17/37/1170021737.db2.gz PRGBPZDBNUEOIE-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 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/nfs/dbraw/zinc/15/30/89/288153089.db2.gz RDGJSCAENMDTLH-GXFFZTMASA-N -2 3 315.395 0.980 20 0 DCADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c1 ZINC000548552450 288153709 /nfs/dbraw/zinc/15/37/09/288153709.db2.gz SVIGQYBMPATGAE-SECBINFHSA-N -2 3 319.360 0.676 20 0 DCADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000548558332 288154384 /nfs/dbraw/zinc/15/43/84/288154384.db2.gz YSMFTOVYTALSHI-QMMMGPOBSA-N -2 3 319.339 0.070 20 0 DCADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)[C@@H](CC)C(=O)[O-] ZINC000548558332 288154388 /nfs/dbraw/zinc/15/43/88/288154388.db2.gz YSMFTOVYTALSHI-QMMMGPOBSA-N -2 3 319.339 0.070 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)c1 ZINC000551996005 288256300 /nfs/dbraw/zinc/25/63/00/288256300.db2.gz CIVAJYGEHCDRIP-LBPRGKRZSA-N -2 3 301.368 0.732 20 0 DCADHL COc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000263401543 295079876 /nfs/dbraw/zinc/07/98/76/295079876.db2.gz GSWACVJYIIIREQ-SECBINFHSA-N -2 3 324.333 0.452 20 0 DCADHL CN(CCC(=O)[O-])C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000037931555 337368941 /nfs/dbraw/zinc/36/89/41/337368941.db2.gz LOZBVICTFCWARW-UHFFFAOYSA-N -2 3 320.392 0.350 20 0 DCADHL CCCCOC(=O)C[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001605281770 1159792674 /nfs/dbraw/zinc/79/26/74/1159792674.db2.gz OSBNKJWIKHFAJD-UHFFFAOYSA-N -2 3 321.395 0.894 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])cc1F ZINC000262795340 522157616 /nfs/dbraw/zinc/15/76/16/522157616.db2.gz PGQFRXGOKBBKTN-LURJTMIESA-N -2 3 305.283 0.364 20 0 DCADHL Cc1c([N-]S(=O)(=O)c2cn[nH]c2)cccc1-c1nn[n-]n1 ZINC000822129687 607255865 /nfs/dbraw/zinc/25/58/65/607255865.db2.gz NQGVKOIBAYOZNU-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CC(=O)[O-] ZINC000736184156 599220430 /nfs/dbraw/zinc/22/04/30/599220430.db2.gz WHSKYWZOXMPSCN-MRVPVSSYSA-N -2 3 305.294 0.177 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CC(=O)[O-] ZINC000736184156 599220431 /nfs/dbraw/zinc/22/04/31/599220431.db2.gz WHSKYWZOXMPSCN-MRVPVSSYSA-N -2 3 305.294 0.177 20 0 DCADHL CC[C@H](C)[C@H](NC(=O)COC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC000736876321 600371290 /nfs/dbraw/zinc/37/12/90/600371290.db2.gz ZSPMZLZWPHNEAX-UFBFGSQYSA-N -2 3 310.306 0.560 20 0 DCADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)C(C)C)cc1C(=O)[O-] ZINC000055564823 600541445 /nfs/dbraw/zinc/54/14/45/600541445.db2.gz MENDFLKXEIERTJ-UHFFFAOYSA-N -3 3 316.335 0.359 20 0 DCADHL CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736263144 600638580 /nfs/dbraw/zinc/63/85/80/600638580.db2.gz YURPNSNJLHZJTA-UHFFFAOYSA-N -2 3 305.308 0.598 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000739200007 600658281 /nfs/dbraw/zinc/65/82/81/600658281.db2.gz CDXJFXGIAUKZQQ-UHFFFAOYSA-N -2 3 318.289 0.197 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)s1 ZINC000826292888 607462059 /nfs/dbraw/zinc/46/20/59/607462059.db2.gz QTDBYXYCYURJSI-UHFFFAOYSA-N -2 3 311.352 0.761 20 0 DCADHL COC[C@](C)(CC(=O)[O-])NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000831553817 601301841 /nfs/dbraw/zinc/30/18/41/601301841.db2.gz AWQMYHAWAZSJOX-AWEZNQCLSA-N -2 3 311.338 0.338 20 0 DCADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1n[n-]c(SCCO)n1 ZINC000826807190 601881074 /nfs/dbraw/zinc/88/10/74/601881074.db2.gz NCYMGYUFYWEMHK-SSDOTTSWSA-N -2 3 317.371 0.510 20 0 DCADHL C[C@@H](CC(=O)[O-])C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000827262185 602295538 /nfs/dbraw/zinc/29/55/38/602295538.db2.gz GQNPGYLRIFRRKQ-NSHDSACASA-N -2 3 320.345 0.787 20 0 DCADHL C[C@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)NC(=O)[O-] ZINC000824727394 603980971 /nfs/dbraw/zinc/98/09/71/603980971.db2.gz HLOGLTTWFNQXPE-SSDOTTSWSA-N -2 3 314.319 0.594 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)nn1C ZINC000826271447 607664467 /nfs/dbraw/zinc/66/44/67/607664467.db2.gz RLMGXVJBBMAMNK-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)nn1C ZINC000826271447 607664469 /nfs/dbraw/zinc/66/44/69/607664469.db2.gz RLMGXVJBBMAMNK-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL CC(C)(CCCO)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833456928 604905535 /nfs/dbraw/zinc/90/55/35/604905535.db2.gz KACHQIQDSLOYRC-UHFFFAOYSA-N -2 3 322.408 0.918 20 0 DCADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC000833649582 605012019 /nfs/dbraw/zinc/01/20/19/605012019.db2.gz XJMYFGVBUGJHKJ-QMMMGPOBSA-N -2 3 305.308 0.598 20 0 DCADHL CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833657764 605024016 /nfs/dbraw/zinc/02/40/16/605024016.db2.gz SRFBMZZBKFHFJS-UHFFFAOYSA-N -2 3 322.364 0.461 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC(=O)OCC2CC2)c1 ZINC000833764151 605200727 /nfs/dbraw/zinc/20/07/27/605200727.db2.gz AAMJQBFXOZYMCP-UHFFFAOYSA-N -2 3 303.292 0.209 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450414 607776927 /nfs/dbraw/zinc/77/69/27/607776927.db2.gz LEKJVTZIKRQSDY-UHFFFAOYSA-N -2 3 318.318 0.314 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450414 607776928 /nfs/dbraw/zinc/77/69/28/607776928.db2.gz LEKJVTZIKRQSDY-UHFFFAOYSA-N -2 3 318.318 0.314 20 0 DCADHL C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1[O-])[C@H]1CN(C)CCO1 ZINC000825464971 605297006 /nfs/dbraw/zinc/29/70/06/605297006.db2.gz HARYGKHNGKSMDB-TVQRCGJNSA-N -2 3 323.349 0.931 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823265835 606660932 /nfs/dbraw/zinc/66/09/32/606660932.db2.gz HOIPNZHTCCFMQD-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823265835 606660933 /nfs/dbraw/zinc/66/09/33/606660933.db2.gz HOIPNZHTCCFMQD-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]OCC(F)(F)F ZINC000823050088 607100097 /nfs/dbraw/zinc/10/00/97/607100097.db2.gz PVUIGWMTMYZCLQ-UHFFFAOYSA-N -2 3 317.227 0.856 20 0 DCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]OCC(F)(F)F ZINC000823050088 607100099 /nfs/dbraw/zinc/10/00/99/607100099.db2.gz PVUIGWMTMYZCLQ-UHFFFAOYSA-N -2 3 317.227 0.856 20 0 DCADHL O=C([O-])Cn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823387290 607109912 /nfs/dbraw/zinc/10/99/12/607109912.db2.gz HPBJWADVENSQAW-UHFFFAOYSA-N -2 3 313.277 0.400 20 0 DCADHL O=C([O-])Cn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823387290 607109913 /nfs/dbraw/zinc/10/99/13/607109913.db2.gz HPBJWADVENSQAW-UHFFFAOYSA-N -2 3 313.277 0.400 20 0 DCADHL O=C([O-])CCCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823386995 607111059 /nfs/dbraw/zinc/11/10/59/607111059.db2.gz ATYROWAOZZRZFD-UHFFFAOYSA-N -2 3 319.321 0.617 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449923 607860977 /nfs/dbraw/zinc/86/09/77/607860977.db2.gz OZMRHFKICYRKJO-UHFFFAOYSA-N -2 3 321.362 0.726 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449923 607860978 /nfs/dbraw/zinc/86/09/78/607860978.db2.gz OZMRHFKICYRKJO-UHFFFAOYSA-N -2 3 321.362 0.726 20 0 DCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826461209 608011657 /nfs/dbraw/zinc/01/16/57/608011657.db2.gz LGCLDKNUPALNCA-SNVBAGLBSA-N -2 3 323.334 0.104 20 0 DCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826461209 608011658 /nfs/dbraw/zinc/01/16/58/608011658.db2.gz LGCLDKNUPALNCA-SNVBAGLBSA-N -2 3 323.334 0.104 20 0 DCADHL CO[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000899934118 663202398 /nfs/dbraw/zinc/20/23/98/663202398.db2.gz AJZXTQFJXIOAHH-LDWIPMOCSA-N -2 3 309.290 0.731 20 0 DCADHL C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC000986168276 662563787 /nfs/dbraw/zinc/56/37/87/662563787.db2.gz FXQZOVGHWQPMIH-IUCAKERBSA-N -2 3 318.337 0.004 20 0 DCADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])cc1F ZINC000263499045 662702958 /nfs/dbraw/zinc/70/29/58/662702958.db2.gz SDWXXYMSWOCJRJ-NSHDSACASA-N -2 3 309.290 0.387 20 0 DCADHL CO[C@H](CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-])c1ccccc1 ZINC000906004733 663595053 /nfs/dbraw/zinc/59/50/53/663595053.db2.gz KNGVBZOVHXGCSS-WDEREUQCSA-N -2 3 305.327 0.716 20 0 DCADHL Nc1nccnc1C(=O)[N-]NC(=O)c1cc2ccccc2cc1[O-] ZINC000054679730 664229354 /nfs/dbraw/zinc/22/93/54/664229354.db2.gz ZVTNKPUGHNHPJF-UHFFFAOYSA-N -2 3 323.312 0.992 20 0 DCADHL CN1C(=O)CN([N-]C(=O)c2cc(F)c(F)c([O-])c2F)C1=O ZINC000755739113 668065185 /nfs/dbraw/zinc/06/51/85/668065185.db2.gz XCZVQKNCEPTKQS-UHFFFAOYSA-N -2 3 303.196 0.348 20 0 DCADHL C[C@@](CO)(C[N-]S(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000780288639 668977046 /nfs/dbraw/zinc/97/70/46/668977046.db2.gz QLNUDHKSONSNST-NSHDSACASA-N -2 3 322.770 0.487 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C/C=C\C(=O)[O-])s1 ZINC000788448004 669440298 /nfs/dbraw/zinc/44/02/98/669440298.db2.gz URYZWNYDLPWTIF-IHWYPQMZSA-N -2 3 305.333 0.454 20 0 DCADHL Cc1ccc([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)c([O-])c1 ZINC000882664223 669562992 /nfs/dbraw/zinc/56/29/92/669562992.db2.gz OYSDMBVRAKWJAZ-GOSISDBHSA-N -2 3 307.397 0.932 20 0 DCADHL Cn1[n-]c(COC(=O)c2nn(-c3ccccc3)cc2[O-])nc1=O ZINC000801202307 670116212 /nfs/dbraw/zinc/11/62/12/670116212.db2.gz CXMGGEWROOOIGZ-UHFFFAOYSA-N -2 3 315.289 0.357 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)nc1Cl ZINC000853070287 671206287 /nfs/dbraw/zinc/20/62/87/671206287.db2.gz WLHYRBKUDFKQCE-SSDOTTSWSA-N -2 3 305.743 0.525 20 0 DCADHL COc1cccc(S([O-])=CC(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000821352726 671273763 /nfs/dbraw/zinc/27/37/63/671273763.db2.gz NCMIPKUUDHRAMT-NRFANRHFSA-N -2 3 311.319 0.370 20 0 DCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826322382 671484047 /nfs/dbraw/zinc/48/40/47/671484047.db2.gz KESGAJHYNYQYFS-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OCC1CC1 ZINC000832845223 671745237 /nfs/dbraw/zinc/74/52/37/671745237.db2.gz IXEYFZRVOADDNY-UHFFFAOYSA-N -2 3 303.340 0.028 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000837292174 671854717 /nfs/dbraw/zinc/85/47/17/671854717.db2.gz LVYYIAUWPIVXLA-NTSWFWBYSA-N -2 3 309.775 0.769 20 0 DCADHL C[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC(=O)[O-] ZINC001573550297 1163488410 /nfs/dbraw/zinc/48/84/10/1163488410.db2.gz FGBQDMDNNVCXTM-NTCNTBNZSA-N -2 3 314.429 0.828 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cc(C(=O)[O-])cnc1C ZINC001573625736 1163516642 /nfs/dbraw/zinc/51/66/42/1163516642.db2.gz LABLINUXRUSKOY-JTQLQIEISA-N -2 3 319.321 0.722 20 0 DCADHL COC1(C[C@@H]([N-]S(=O)(=O)c2conc2C)C(=O)[O-])CCC1 ZINC001573954728 1163601387 /nfs/dbraw/zinc/60/13/87/1163601387.db2.gz RIUIDHSDKGNFSG-SECBINFHSA-N -2 3 318.351 0.674 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)c1C(=O)[O-] ZINC001574182132 1163653689 /nfs/dbraw/zinc/65/36/89/1163653689.db2.gz JDBPNTQFGZEFLB-SSDOTTSWSA-N -2 3 315.307 0.021 20 0 DCADHL O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc2n[n-]nc21 ZINC001574308827 1163694345 /nfs/dbraw/zinc/69/43/45/1163694345.db2.gz PECKNVPITQRDOP-LDYMZIIASA-N -2 3 304.306 0.710 20 0 DCADHL C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nn(C)cc1[O-] ZINC001575330359 1163977946 /nfs/dbraw/zinc/97/79/46/1163977946.db2.gz KNXYJWXPUHSDQE-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nn(C)cc1[O-] ZINC001575330359 1163977953 /nfs/dbraw/zinc/97/79/53/1163977953.db2.gz KNXYJWXPUHSDQE-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL CC(C)(C(=O)[O-])C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001589058825 1166632899 /nfs/dbraw/zinc/63/28/99/1166632899.db2.gz ALWBQAQBICYXGY-NSHDSACASA-N -2 3 315.333 0.561 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001590819389 1167031633 /nfs/dbraw/zinc/03/16/33/1167031633.db2.gz ROEIXFSGVJXWHQ-UHFFFAOYSA-N -2 3 320.309 0.272 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001590819389 1167031637 /nfs/dbraw/zinc/03/16/37/1167031637.db2.gz ROEIXFSGVJXWHQ-UHFFFAOYSA-N -2 3 320.309 0.272 20 0 DCADHL CCc1nnc(N2CC[C@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1CC ZINC001590931133 1167054816 /nfs/dbraw/zinc/05/48/16/1167054816.db2.gz LEGYNZATYYRKCZ-QMMMGPOBSA-N -2 3 317.353 0.692 20 0 DCADHL CCc1nnc(N2CC[C@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1CC ZINC001590931133 1167054822 /nfs/dbraw/zinc/05/48/22/1167054822.db2.gz LEGYNZATYYRKCZ-QMMMGPOBSA-N -2 3 317.353 0.692 20 0 DCADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001591324550 1167215727 /nfs/dbraw/zinc/21/57/27/1167215727.db2.gz OZJOEXPAZKVYOA-MRVPVSSYSA-N -2 3 312.355 0.347 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)C(C)C)cccc1-c1nnn[n-]1 ZINC001591809447 1167385682 /nfs/dbraw/zinc/38/56/82/1167385682.db2.gz CNXHARXVKXCSQS-UHFFFAOYSA-N -2 3 309.351 0.643 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)C(C)C)cccc1-c1nn[n-]n1 ZINC001591809447 1167385686 /nfs/dbraw/zinc/38/56/86/1167385686.db2.gz CNXHARXVKXCSQS-UHFFFAOYSA-N -2 3 309.351 0.643 20 0 DCADHL Cc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592155136 1167464425 /nfs/dbraw/zinc/46/44/25/1167464425.db2.gz ORMWLHPNPBQAKU-LBPRGKRZSA-N -2 3 303.322 0.461 20 0 DCADHL Cc1cccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001592236735 1167477413 /nfs/dbraw/zinc/47/74/13/1167477413.db2.gz PLPUXMJPVSNEAB-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001592236735 1167477416 /nfs/dbraw/zinc/47/74/16/1167477416.db2.gz PLPUXMJPVSNEAB-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1nnc(NCC2(C(=O)[O-])CCC2)c(-c2nnn[n-]2)c1C ZINC001592446452 1167526423 /nfs/dbraw/zinc/52/64/23/1167526423.db2.gz CBUNYPLGEAZLDF-UHFFFAOYSA-N -2 3 303.326 0.940 20 0 DCADHL Cc1nnc(NCC2(C(=O)[O-])CCC2)c(-c2nn[n-]n2)c1C ZINC001592446452 1167526427 /nfs/dbraw/zinc/52/64/27/1167526427.db2.gz CBUNYPLGEAZLDF-UHFFFAOYSA-N -2 3 303.326 0.940 20 0 DCADHL Cc1nsc(NCCCc2n[nH]c(=O)[n-]2)c1-c1nnn[n-]1 ZINC001592492851 1167538413 /nfs/dbraw/zinc/53/84/13/1167538413.db2.gz OQKYBACMSUVPGD-UHFFFAOYSA-N -2 3 307.343 0.500 20 0 DCADHL Cc1nsc(NCCCc2n[nH]c(=O)[n-]2)c1-c1nn[n-]n1 ZINC001592492851 1167538417 /nfs/dbraw/zinc/53/84/17/1167538417.db2.gz OQKYBACMSUVPGD-UHFFFAOYSA-N -2 3 307.343 0.500 20 0 DCADHL O=C(COCC(F)(F)F)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592886338 1167657085 /nfs/dbraw/zinc/65/70/85/1167657085.db2.gz FJPMUFXRYPPWFK-UHFFFAOYSA-N -2 3 317.227 0.856 20 0 DCADHL O=C(COCC(F)(F)F)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592886338 1167657089 /nfs/dbraw/zinc/65/70/89/1167657089.db2.gz FJPMUFXRYPPWFK-UHFFFAOYSA-N -2 3 317.227 0.856 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@]12CCOC2 ZINC001593170712 1167729737 /nfs/dbraw/zinc/72/97/37/1167729737.db2.gz LRVKEDBKTJRPLB-SMDDNHRTSA-N -2 3 301.306 0.703 20 0 DCADHL O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593275209 1167752636 /nfs/dbraw/zinc/75/26/36/1167752636.db2.gz UYEDYFOQXNNMLL-NSHDSACASA-N -2 3 301.306 0.342 20 0 DCADHL O=S(=O)([N-]c1ccccc1O)c1cncc(-c2nnn[n-]2)c1 ZINC001593445849 1167845312 /nfs/dbraw/zinc/84/53/12/1167845312.db2.gz MWCAQECKDHYEGA-UHFFFAOYSA-N -2 3 318.318 0.768 20 0 DCADHL O=S(=O)([N-]c1ccccc1O)c1cncc(-c2nn[n-]n2)c1 ZINC001593445849 1167845326 /nfs/dbraw/zinc/84/53/26/1167845326.db2.gz MWCAQECKDHYEGA-UHFFFAOYSA-N -2 3 318.318 0.768 20 0 DCADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1F ZINC001600114877 1168121687 /nfs/dbraw/zinc/12/16/87/1168121687.db2.gz UELYERHLWZWEEC-SSDOTTSWSA-N -3 3 323.273 0.533 20 0 DCADHL Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c([O-])c1 ZINC001600335158 1168167905 /nfs/dbraw/zinc/16/79/05/1168167905.db2.gz WLLXSPPOCVCVBR-SNVBAGLBSA-N -2 3 313.331 0.024 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCC2OCCO2)C(=O)[O-])o1 ZINC001600479469 1168190873 /nfs/dbraw/zinc/19/08/73/1168190873.db2.gz YXFDHSMSKCGIEW-VIFPVBQESA-N -2 3 319.335 0.473 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(=O)[n-]1 ZINC001600691055 1168252553 /nfs/dbraw/zinc/25/25/53/1168252553.db2.gz AJEAERCPXYFFOX-FTGAXOIBSA-N -2 3 305.334 0.711 20 0 DCADHL Cc1noc(CCC[N-]S(=O)(=O)c2occc2C(=O)[O-])n1 ZINC001600813652 1168342081 /nfs/dbraw/zinc/34/20/81/1168342081.db2.gz ZRAOREVNUBHECK-UHFFFAOYSA-N -2 3 315.307 0.580 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001600995172 1168552103 /nfs/dbraw/zinc/55/21/03/1168552103.db2.gz MOCTXEZNYFFHRQ-GFCCVEGCSA-N -2 3 316.383 0.517 20 0 DCADHL O=C([O-])c1ccn(CC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001601384597 1168728445 /nfs/dbraw/zinc/72/84/45/1168728445.db2.gz NCMBNQOBZICYIB-UHFFFAOYSA-N -2 3 317.305 0.271 20 0 DCADHL O=C([O-])c1ccc(NC(=O)[N-]O[C@@H](CO)C2CCCC2)nn1 ZINC001601563787 1168783973 /nfs/dbraw/zinc/78/39/73/1168783973.db2.gz QWFBIAHFXOWESI-JTQLQIEISA-N -2 3 310.310 0.779 20 0 DCADHL O=C([O-])C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001601825482 1168907918 /nfs/dbraw/zinc/90/79/18/1168907918.db2.gz WZDGHPIVTQMHON-UHFFFAOYSA-N -2 3 302.294 0.199 20 0 DCADHL O=C([O-])C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001601825482 1168907920 /nfs/dbraw/zinc/90/79/20/1168907920.db2.gz WZDGHPIVTQMHON-UHFFFAOYSA-N -2 3 302.294 0.199 20 0 DCADHL O=C([O-])C[C@@]1([N-]C(=O)C(F)(F)c2nccs2)CCOC1 ZINC001601925704 1168937119 /nfs/dbraw/zinc/93/71/19/1168937119.db2.gz RIODCYZNHJKSPQ-JTQLQIEISA-N -2 3 306.290 0.985 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCn3nccc32)o1 ZINC001602397093 1169069999 /nfs/dbraw/zinc/06/99/99/1169069999.db2.gz LSWIZRBYJKQELP-MRVPVSSYSA-N -2 3 311.319 0.988 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)o1 ZINC001602400469 1169072106 /nfs/dbraw/zinc/07/21/06/1169072106.db2.gz WTRCJTZUUDOVRU-SECBINFHSA-N -2 3 319.335 0.044 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CNCCC1(F)F ZINC001602489255 1169091213 /nfs/dbraw/zinc/09/12/13/1169091213.db2.gz XXXBZWRZASYCLS-SSDOTTSWSA-N -2 3 310.278 0.253 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cc(C2CC2)no1 ZINC001602506756 1169101925 /nfs/dbraw/zinc/10/19/25/1169101925.db2.gz PPRFGWNMCPUWEQ-UHFFFAOYSA-N -2 3 312.307 0.452 20 0 DCADHL O=C([O-])c1coc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001602549342 1169115189 /nfs/dbraw/zinc/11/51/89/1169115189.db2.gz NKRNECVNELNIIW-VIFPVBQESA-N -2 3 318.289 0.482 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c1 ZINC001602557352 1169117279 /nfs/dbraw/zinc/11/72/79/1169117279.db2.gz VQVMXXWICORHGY-UHFFFAOYSA-N -3 3 303.292 0.511 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCO[C@@H]2CCCCO2)c1 ZINC001602558933 1169118365 /nfs/dbraw/zinc/11/83/65/1169118365.db2.gz HYQWEEFXFFKUSV-SNVBAGLBSA-N -2 3 319.335 0.799 20 0 DCADHL CCC1(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CC1 ZINC001604094341 1169492156 /nfs/dbraw/zinc/49/21/56/1169492156.db2.gz WNERAOGAFDZUFK-UHFFFAOYSA-N -2 3 324.366 0.505 20 0 DCADHL CCC1(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001604094341 1169492166 /nfs/dbraw/zinc/49/21/66/1169492166.db2.gz WNERAOGAFDZUFK-UHFFFAOYSA-N -2 3 324.366 0.505 20 0 DCADHL C[C@H](CCCCO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001604133141 1169502997 /nfs/dbraw/zinc/50/29/97/1169502997.db2.gz UBZMJMSBJMABKJ-SSDOTTSWSA-N -2 3 308.381 0.671 20 0 DCADHL CC1(C)COc2c(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])cnn2C1 ZINC001604552228 1169615715 /nfs/dbraw/zinc/61/57/15/1169615715.db2.gz BPJASICDPXXOGN-SSDOTTSWSA-N -2 3 321.330 0.003 20 0 DCADHL C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604850523 1169709470 /nfs/dbraw/zinc/70/94/70/1169709470.db2.gz DWLCVNWIQXZSBO-TYWZFMJISA-N -2 3 306.365 0.447 20 0 DCADHL CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001604859451 1169717439 /nfs/dbraw/zinc/71/74/39/1169717439.db2.gz GKVFWFPNEWLHLD-QMMMGPOBSA-N -2 3 316.335 0.267 20 0 DCADHL CCCn1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nn1 ZINC001605390087 1169909329 /nfs/dbraw/zinc/90/93/29/1169909329.db2.gz RPWWKFITZOILHX-UHFFFAOYSA-N -2 3 310.339 0.809 20 0 DCADHL Cc1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1-c1nnn[n-]1 ZINC001605926532 1170028653 /nfs/dbraw/zinc/02/86/53/1170028653.db2.gz SCUMHQQCKWVDNI-UTCJRWHESA-N -2 3 323.334 0.094 20 0 DCADHL Cc1cccc(S(=O)(=O)NC/C=C\C(=O)[O-])c1-c1nn[n-]n1 ZINC001605926532 1170028656 /nfs/dbraw/zinc/02/86/56/1170028656.db2.gz SCUMHQQCKWVDNI-UTCJRWHESA-N -2 3 323.334 0.094 20 0 DCADHL O=C(CNc1ccc(-c2nnn[n-]2)cn1)[N-]OCC(F)(F)F ZINC001606558038 1170233624 /nfs/dbraw/zinc/23/36/24/1170233624.db2.gz NYAMGSCEUMLFBE-UHFFFAOYSA-N -2 3 317.231 0.284 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)[N-]OCC(F)(F)F ZINC001606558038 1170233629 /nfs/dbraw/zinc/23/36/29/1170233629.db2.gz NYAMGSCEUMLFBE-UHFFFAOYSA-N -2 3 317.231 0.284 20 0 DCADHL O=C(N=S1(=O)CCCC1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606633215 1170248342 /nfs/dbraw/zinc/24/83/42/1170248342.db2.gz LAZYPZNAKDLWRD-UHFFFAOYSA-N -2 3 307.335 0.974 20 0 DCADHL COC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)OC ZINC001606800495 1170295169 /nfs/dbraw/zinc/29/51/69/1170295169.db2.gz KLNSINLXIKWMAW-QMMMGPOBSA-N -2 3 307.324 0.226 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C1CC1 ZINC001606816082 1170300357 /nfs/dbraw/zinc/30/03/57/1170300357.db2.gz MONRDACWTDSGEP-QMMMGPOBSA-N -2 3 303.340 0.120 20 0 DCADHL COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001606833135 1170305819 /nfs/dbraw/zinc/30/58/19/1170305819.db2.gz JISNXYGWLQQVJA-HNNXBMFYSA-N -2 3 323.301 0.827 20 0 DCADHL O=C([O-])[C@H]1CN(c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001606960447 1170340731 /nfs/dbraw/zinc/34/07/31/1170340731.db2.gz HXNLMVXIMJUTLK-SECBINFHSA-N -2 3 309.713 0.810 20 0 DCADHL O=C([O-])[C@H]1CN(c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001606960447 1170340735 /nfs/dbraw/zinc/34/07/35/1170340735.db2.gz HXNLMVXIMJUTLK-SECBINFHSA-N -2 3 309.713 0.810 20 0 DCADHL O=C([O-])C1(CNc2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001606960724 1170341019 /nfs/dbraw/zinc/34/10/19/1170341019.db2.gz TWYRIGVJMMLOJH-UHFFFAOYSA-N -2 3 304.310 0.555 20 0 DCADHL O=C([O-])C1(CNc2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001606960724 1170341022 /nfs/dbraw/zinc/34/10/22/1170341022.db2.gz TWYRIGVJMMLOJH-UHFFFAOYSA-N -2 3 304.310 0.555 20 0 DCADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001607010032 1170352515 /nfs/dbraw/zinc/35/25/15/1170352515.db2.gz MGTDEPBHINZOME-UHFFFAOYSA-N -2 3 319.273 0.776 20 0 DCADHL COc1ccc([C@@H](NC(=O)c2c[n-]ncc2=O)C(=O)[O-])cc1O ZINC001607230855 1170417565 /nfs/dbraw/zinc/41/75/65/1170417565.db2.gz QHTPDLNYZJMFLD-GFCCVEGCSA-N -2 3 319.273 0.452 20 0 DCADHL 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COCCO[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821693054 606367694 /nfs/dbraw/zinc/36/76/94/606367694.db2.gz PGZRPBIYRIWZBS-VIFPVBQESA-N -2 3 307.310 0.328 20 0 DCADHL CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820914935 607108182 /nfs/dbraw/zinc/10/81/82/607108182.db2.gz SHZQOJXWRDBMNG-WCBMZHEXSA-N -2 3 319.321 0.613 20 0 DCADHL CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820914935 607108184 /nfs/dbraw/zinc/10/81/84/607108184.db2.gz SHZQOJXWRDBMNG-WCBMZHEXSA-N -2 3 319.321 0.613 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449833 607860872 /nfs/dbraw/zinc/86/08/72/607860872.db2.gz LFWAZGOASPXHEN-UHFFFAOYSA-N -2 3 310.339 0.055 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449833 607860873 /nfs/dbraw/zinc/86/08/73/607860873.db2.gz LFWAZGOASPXHEN-UHFFFAOYSA-N -2 3 310.339 0.055 20 0 DCADHL O=C(c1ccc([O-])c(F)c1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000907479769 663701197 /nfs/dbraw/zinc/70/11/97/663701197.db2.gz MKRQRFVUJRJSBW-SECBINFHSA-N -2 3 309.326 0.975 20 0 DCADHL O=C(c1ccc([O-])c(F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479769 663701198 /nfs/dbraw/zinc/70/11/98/663701198.db2.gz MKRQRFVUJRJSBW-SECBINFHSA-N -2 3 309.326 0.975 20 0 DCADHL CNC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000057124744 664426490 /nfs/dbraw/zinc/42/64/90/664426490.db2.gz NJXHJCPKMSTJMJ-UHFFFAOYSA-N -2 3 312.351 0.084 20 0 DCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000064375351 665312479 /nfs/dbraw/zinc/31/24/79/665312479.db2.gz GVTHUIZLTLWRRQ-UHFFFAOYSA-N -3 3 321.380 0.739 20 0 DCADHL CCC(=O)[N-][N-]S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000064474607 665317293 /nfs/dbraw/zinc/31/72/93/665317293.db2.gz XEQUOHGGGGSVNE-UHFFFAOYSA-N -2 3 300.336 0.501 20 0 DCADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000776538409 668877339 /nfs/dbraw/zinc/87/73/39/668877339.db2.gz MLOYUEDDZHFGIO-SSDOTTSWSA-N -2 3 321.376 0.924 20 0 DCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(Br)cc1F ZINC000816730509 670850170 /nfs/dbraw/zinc/85/01/70/670850170.db2.gz BPUUAOOOQRMIEF-UHFFFAOYSA-N -2 3 317.074 0.975 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccon1 ZINC000826280176 671483321 /nfs/dbraw/zinc/48/33/21/671483321.db2.gz QCFOQWFMDZOJLW-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccon1 ZINC000826280176 671483324 /nfs/dbraw/zinc/48/33/24/671483324.db2.gz QCFOQWFMDZOJLW-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1onc(CC(=O)[N-]OCc2cccnc2)c1-c1nnn[n-]1 ZINC000826348464 671486501 /nfs/dbraw/zinc/48/65/01/671486501.db2.gz NIDJWXLSOSHKKK-UHFFFAOYSA-N -2 3 315.293 0.349 20 0 DCADHL Cc1onc(CC(=O)[N-]OCc2cccnc2)c1-c1nn[n-]n1 ZINC000826348464 671486503 /nfs/dbraw/zinc/48/65/03/671486503.db2.gz NIDJWXLSOSHKKK-UHFFFAOYSA-N -2 3 315.293 0.349 20 0 DCADHL CC(C)(CO)O[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000836805300 671833432 /nfs/dbraw/zinc/83/34/32/671833432.db2.gz YNJITMFPVHGJBE-GFCCVEGCSA-N -2 3 322.361 0.816 20 0 DCADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824094261 685354874 /nfs/dbraw/zinc/35/48/74/685354874.db2.gz QKBLXBJCZBPBJT-UHFFFAOYSA-N -2 3 312.355 0.301 20 0 DCADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824094261 685354875 /nfs/dbraw/zinc/35/48/75/685354875.db2.gz QKBLXBJCZBPBJT-UHFFFAOYSA-N -2 3 312.355 0.301 20 0 DCADHL CC(C)CCC[C@@H]([N-]S(=O)(=O)c1nncn1C)C(=O)[O-] ZINC001573510638 1163453962 /nfs/dbraw/zinc/45/39/62/1163453962.db2.gz DRVNEUSVDXZLCQ-SECBINFHSA-N -2 3 304.372 0.373 20 0 DCADHL CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC001573807056 1163558526 /nfs/dbraw/zinc/55/85/26/1163558526.db2.gz DCUQJCQJPGMNQF-SECBINFHSA-N -2 3 310.397 0.502 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]CCc1nc(C(=O)[O-])cs1 ZINC001574207092 1163663543 /nfs/dbraw/zinc/66/35/43/1163663543.db2.gz XTKPYVRYTSZGSU-UHFFFAOYSA-N -2 3 317.348 0.659 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC001589002522 1166627412 /nfs/dbraw/zinc/62/74/12/1166627412.db2.gz CSLLIUQYQXFNGT-KWQFWETISA-N -2 3 316.321 0.191 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N1 ZINC001589002522 1166627414 /nfs/dbraw/zinc/62/74/14/1166627414.db2.gz CSLLIUQYQXFNGT-KWQFWETISA-N -2 3 316.321 0.191 20 0 DCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589025287 1166628870 /nfs/dbraw/zinc/62/88/70/1166628870.db2.gz PQXWVOXIDKTCIF-YFKPBYRVSA-N -2 3 317.352 0.022 20 0 DCADHL CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589084659 1166633092 /nfs/dbraw/zinc/63/30/92/1166633092.db2.gz VXJRXZKPRMXKQI-UHFFFAOYSA-N -2 3 323.378 0.859 20 0 DCADHL CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589084659 1166633095 /nfs/dbraw/zinc/63/30/95/1166633095.db2.gz VXJRXZKPRMXKQI-UHFFFAOYSA-N -2 3 323.378 0.859 20 0 DCADHL CC(C)(NC(=O)c1cc(=O)[nH][n-]1)c1cccc(-c2nnn[n-]2)c1 ZINC001589314581 1166647690 /nfs/dbraw/zinc/64/76/90/1166647690.db2.gz TZUZGJUVWSIUGY-UHFFFAOYSA-N -2 3 313.321 0.094 20 0 DCADHL CC(C)(NC(=O)c1cc(=O)[nH][n-]1)c1cccc(-c2nn[n-]n2)c1 ZINC001589314581 1166647693 /nfs/dbraw/zinc/64/76/93/1166647693.db2.gz TZUZGJUVWSIUGY-UHFFFAOYSA-N -2 3 313.321 0.094 20 0 DCADHL C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1nn(C)cc1[O-] ZINC001589942726 1166727057 /nfs/dbraw/zinc/72/70/57/1166727057.db2.gz BGHIKKXCSZPYJP-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1nn(C)cc1[O-] ZINC001589942726 1166727060 /nfs/dbraw/zinc/72/70/60/1166727060.db2.gz BGHIKKXCSZPYJP-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)C(F)(F)F ZINC001589975484 1166733271 /nfs/dbraw/zinc/73/32/71/1166733271.db2.gz CRUVBRRWTOWOSX-RXMQYKEDSA-N -2 3 322.272 0.491 20 0 DCADHL CCN(C(=O)c1ccc(-c2nnn[n-]2)c(C)n1)[C@@H](C)C(=O)[O-] ZINC001590674729 1166966281 /nfs/dbraw/zinc/96/62/81/1166966281.db2.gz URRNFWDOKMQDRC-QMMMGPOBSA-N -2 3 304.310 0.505 20 0 DCADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c(C)n1)[C@@H](C)C(=O)[O-] ZINC001590674729 1166966284 /nfs/dbraw/zinc/96/62/84/1166966284.db2.gz URRNFWDOKMQDRC-QMMMGPOBSA-N -2 3 304.310 0.505 20 0 DCADHL CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC(F)F ZINC001591130262 1167110364 /nfs/dbraw/zinc/11/03/64/1167110364.db2.gz KNGYDGZMMMWFOG-UHFFFAOYSA-N -2 3 310.268 0.312 20 0 DCADHL CO[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001591337737 1167223108 /nfs/dbraw/zinc/22/31/08/1167223108.db2.gz XNCXYFMNMOXBAU-ZDUSSCGKSA-N -2 3 304.310 0.250 20 0 DCADHL CO[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001591337737 1167223112 /nfs/dbraw/zinc/22/31/12/1167223112.db2.gz XNCXYFMNMOXBAU-ZDUSSCGKSA-N -2 3 304.310 0.250 20 0 DCADHL COCCS(=O)(=O)[N-]c1sc(C)c(C)c1-c1nn[n-]n1 ZINC001591446540 1167289080 /nfs/dbraw/zinc/28/90/80/1167289080.db2.gz LPHVCGRCTOPKFL-UHFFFAOYSA-N -2 3 317.396 0.933 20 0 DCADHL Cc1cc(OCC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)no1 ZINC001592058915 1167446310 /nfs/dbraw/zinc/44/63/10/1167446310.db2.gz AFYXWIPTZYKWJO-UHFFFAOYSA-N -2 3 316.277 0.652 20 0 DCADHL Cc1cc(OCC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)no1 ZINC001592058915 1167446316 /nfs/dbraw/zinc/44/63/16/1167446316.db2.gz AFYXWIPTZYKWJO-UHFFFAOYSA-N -2 3 316.277 0.652 20 0 DCADHL Cc1nc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592342355 1167496696 /nfs/dbraw/zinc/49/66/96/1167496696.db2.gz ANLVHADZURRBHC-MRVPVSSYSA-N -2 3 302.294 0.117 20 0 DCADHL Cc1nc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592342355 1167496702 /nfs/dbraw/zinc/49/67/02/1167496702.db2.gz ANLVHADZURRBHC-MRVPVSSYSA-N -2 3 302.294 0.117 20 0 DCADHL Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)ccc1-c1nn[n-]n1 ZINC001592381372 1167508946 /nfs/dbraw/zinc/50/89/46/1167508946.db2.gz ZKTAUQXROMIBLD-SFGNSQDASA-N -2 3 304.310 0.206 20 0 DCADHL Cc1nc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)oc1C ZINC001592393680 1167511611 /nfs/dbraw/zinc/51/16/11/1167511611.db2.gz DUTHXBMCCCVXAD-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1nc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)oc1C ZINC001592393680 1167511614 /nfs/dbraw/zinc/51/16/14/1167511614.db2.gz DUTHXBMCCCVXAD-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL O=C(CSc1n[nH]c(=O)[n-]1)Nc1sccc1-c1nnn[n-]1 ZINC001592906234 1167662261 /nfs/dbraw/zinc/66/22/61/1167662261.db2.gz DOBUAMXWISEZCO-UHFFFAOYSA-N -2 3 324.351 0.483 20 0 DCADHL O=C(CSc1n[nH]c(=O)[n-]1)Nc1sccc1-c1nn[n-]n1 ZINC001592906234 1167662265 /nfs/dbraw/zinc/66/22/65/1167662265.db2.gz DOBUAMXWISEZCO-UHFFFAOYSA-N -2 3 324.351 0.483 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC001593172796 1167732206 /nfs/dbraw/zinc/73/22/06/1167732206.db2.gz PEIZYBHLHTVIRJ-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC001593172796 1167732213 /nfs/dbraw/zinc/73/22/13/1167732213.db2.gz PEIZYBHLHTVIRJ-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C([O-])[C@@]1(NCc2nc(-c3nnn[n-]3)cs2)CCSC1 ZINC001593273406 1167749509 /nfs/dbraw/zinc/74/95/09/1167749509.db2.gz GPDYJXXPGPFIGL-SNVBAGLBSA-N -2 3 312.380 0.373 20 0 DCADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593276671 1167752472 /nfs/dbraw/zinc/75/24/72/1167752472.db2.gz NLNISJQXMNQSQR-MRVPVSSYSA-N -2 3 304.310 0.664 20 0 DCADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593276671 1167752475 /nfs/dbraw/zinc/75/24/75/1167752475.db2.gz NLNISJQXMNQSQR-MRVPVSSYSA-N -2 3 304.310 0.664 20 0 DCADHL O=C([O-])COCCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001593278578 1167753752 /nfs/dbraw/zinc/75/37/52/1167753752.db2.gz NGYXKSAHXZEVDY-UHFFFAOYSA-N -2 3 318.337 0.654 20 0 DCADHL O=C([O-])COCCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001593278578 1167753758 /nfs/dbraw/zinc/75/37/58/1167753758.db2.gz NGYXKSAHXZEVDY-UHFFFAOYSA-N -2 3 318.337 0.654 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])oc1C(=O)[O-] ZINC001600296469 1168158024 /nfs/dbraw/zinc/15/80/24/1168158024.db2.gz CMHHYPQFFJGEOQ-BQBZGAKWSA-N -3 3 305.308 0.674 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1F ZINC001600994958 1168552333 /nfs/dbraw/zinc/55/23/33/1168552333.db2.gz FHRNNEKTGVBUPI-UHFFFAOYSA-N -2 3 314.298 0.131 20 0 DCADHL Nc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001601217193 1168661851 /nfs/dbraw/zinc/66/18/51/1168661851.db2.gz CXLQHXLTUOEFQB-UHFFFAOYSA-N -2 3 313.360 0.902 20 0 DCADHL O=C([O-])c1ccn(CC(=O)Nc2n[n-]c(-c3ccco3)n2)n1 ZINC001601386237 1168729369 /nfs/dbraw/zinc/72/93/69/1168729369.db2.gz XTFXXSKFNWVMHD-UHFFFAOYSA-N -2 3 302.250 0.598 20 0 DCADHL O=C([O-])[C@]1(NC(=O)c2cc(F)cc3n[n-]nc32)CCSC1 ZINC001601431663 1168745860 /nfs/dbraw/zinc/74/58/60/1168745860.db2.gz LTPOWDISVKRIRH-LBPRGKRZSA-N -2 3 310.310 0.787 20 0 DCADHL O=C([O-])C[C@H]1CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001601951211 1168945092 /nfs/dbraw/zinc/94/50/92/1168945092.db2.gz DINNWGZWQSAMKT-LLVKDONJSA-N -2 3 312.366 0.496 20 0 DCADHL O=C([O-])CNC(=O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001602069721 1168986413 /nfs/dbraw/zinc/98/64/13/1168986413.db2.gz ZNLLARXKWLUQAM-UHFFFAOYSA-N -2 3 320.223 0.342 20 0 DCADHL O=C([O-])c1ccc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)nn1 ZINC001602381746 1169067048 /nfs/dbraw/zinc/06/70/48/1169067048.db2.gz MCEUKWPMVMMCMQ-MRVPVSSYSA-N -2 3 302.294 0.361 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c1 ZINC001602555910 1169117256 /nfs/dbraw/zinc/11/72/56/1169117256.db2.gz BABXSQCFBPKICW-SNVBAGLBSA-N -2 3 319.335 0.044 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001602587818 1169127616 /nfs/dbraw/zinc/12/76/16/1169127616.db2.gz FLWPUOVUMWIZQL-NTSWFWBYSA-N -3 3 320.348 0.373 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1=CCCOC1 ZINC001602588907 1169128839 /nfs/dbraw/zinc/12/88/39/1169128839.db2.gz RLPXTTMOYIHCRL-UHFFFAOYSA-N -2 3 304.349 0.466 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1 ZINC001602588843 1169129222 /nfs/dbraw/zinc/12/92/22/1169129222.db2.gz OFRGQIUPMZAMBB-YUMQZZPRSA-N -2 3 320.392 0.671 20 0 DCADHL C[C@@H](C(=O)Nc1cccc([O-])c1F)n1cnc(-c2nnn[n-]2)n1 ZINC001603030044 1169234300 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Cc1onc(CC(=O)[N-]O[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826348656 671486586 /nfs/dbraw/zinc/48/65/86/671486586.db2.gz XMTIPIDSGQXQKU-JTQLQIEISA-N -2 3 308.298 0.280 20 0 DCADHL CCOC(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829843382 671592187 /nfs/dbraw/zinc/59/21/87/671592187.db2.gz VOFSVGUILUTUPS-UHFFFAOYSA-N -2 3 319.335 0.908 20 0 DCADHL O=C([N-]CC1CN(C(=O)c2cncc([O-])c2)C1)C(F)(F)F ZINC000831129918 671655067 /nfs/dbraw/zinc/65/50/67/671655067.db2.gz MIXODTMGLFOLGK-UHFFFAOYSA-N -2 3 303.240 0.538 20 0 DCADHL CC(C)(CO)O[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000836805301 671833523 /nfs/dbraw/zinc/83/35/23/671833523.db2.gz YNJITMFPVHGJBE-LBPRGKRZSA-N -2 3 322.361 0.816 20 0 DCADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837293309 671855642 /nfs/dbraw/zinc/85/56/42/671855642.db2.gz FNZADTSDZJTNRN-HLTSFMKQSA-N -2 3 311.331 0.060 20 0 DCADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])no1 ZINC000844800184 672204153 /nfs/dbraw/zinc/20/41/53/672204153.db2.gz ZACIFWSBKMICPS-MRVPVSSYSA-N -2 3 308.331 0.814 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])[C@@H]1CCCOC1 ZINC001573699820 1163538570 /nfs/dbraw/zinc/53/85/70/1163538570.db2.gz JJTDPUOLKMKULH-PSASIEDQSA-N -2 3 317.367 0.591 20 0 DCADHL Cc1ncoc1C[N-]S(=O)(=O)Cc1cc(C(=O)[O-])no1 ZINC001574198533 1163660368 /nfs/dbraw/zinc/66/03/68/1163660368.db2.gz OLNVNXGTNXEMLP-UHFFFAOYSA-N -2 3 301.280 0.289 20 0 DCADHL O=C([O-])[C@H](F)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574346221 1163700204 /nfs/dbraw/zinc/70/02/04/1163700204.db2.gz QJNMAYJHPISZIV-PSASIEDQSA-N -2 3 320.284 0.147 20 0 DCADHL O=C([O-])[C@H](F)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574346221 1163700212 /nfs/dbraw/zinc/70/02/12/1163700212.db2.gz QJNMAYJHPISZIV-PSASIEDQSA-N -2 3 320.284 0.147 20 0 DCADHL Cc1cc(-c2nnn[n-]2)c(=O)[nH]c1C(=O)Nc1ncccc1[O-] ZINC001580609437 1165655984 /nfs/dbraw/zinc/65/59/84/1165655984.db2.gz YHDVWXHTVYUCEE-UHFFFAOYSA-N -2 3 313.277 0.629 20 0 DCADHL Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ncccc1[O-] ZINC001580609437 1165655989 /nfs/dbraw/zinc/65/59/89/1165655989.db2.gz YHDVWXHTVYUCEE-UHFFFAOYSA-N -2 3 313.277 0.629 20 0 DCADHL O=c1[n-]c([C@@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)n[nH]1 ZINC001582808983 1166089965 /nfs/dbraw/zinc/08/99/65/1166089965.db2.gz OKAAMYJFJTTXFH-MRVPVSSYSA-N -2 3 313.325 0.469 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CC1 ZINC001589003427 1166626302 /nfs/dbraw/zinc/62/63/02/1166626302.db2.gz XNOWNUSVLWLLET-QMMMGPOBSA-N -2 3 321.362 0.718 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC001589003427 1166626307 /nfs/dbraw/zinc/62/63/07/1166626307.db2.gz XNOWNUSVLWLLET-QMMMGPOBSA-N -2 3 321.362 0.718 20 0 DCADHL CC(C)[C@H](CO)ONC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001589459611 1166658755 /nfs/dbraw/zinc/65/87/55/1166658755.db2.gz IWLIGHQOOQBPCM-NSHDSACASA-N -2 3 307.310 0.251 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001590016469 1166752302 /nfs/dbraw/zinc/75/23/02/1166752302.db2.gz VTDLTCABDGUWGM-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001590016469 1166752307 /nfs/dbraw/zinc/75/23/07/1166752307.db2.gz VTDLTCABDGUWGM-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590070730 1166764156 /nfs/dbraw/zinc/76/41/56/1166764156.db2.gz BHLVQIWTDGWULC-CQSZACIVSA-N -2 3 316.321 0.270 20 0 DCADHL CCOCCO[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001590816780 1167031540 /nfs/dbraw/zinc/03/15/40/1167031540.db2.gz RZGVGSGJJWCKRZ-SNVBAGLBSA-N -2 3 321.337 0.718 20 0 DCADHL CCOCCO[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001590816780 1167031545 /nfs/dbraw/zinc/03/15/45/1167031545.db2.gz RZGVGSGJJWCKRZ-SNVBAGLBSA-N -2 3 321.337 0.718 20 0 DCADHL CCO[N-]C(=O)CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001590819642 1167034061 /nfs/dbraw/zinc/03/40/61/1167034061.db2.gz XJYXFUJXLCLQNS-UHFFFAOYSA-N -2 3 319.350 0.956 20 0 DCADHL CCO[N-]C(=O)CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001590819642 1167034067 /nfs/dbraw/zinc/03/40/67/1167034067.db2.gz XJYXFUJXLCLQNS-UHFFFAOYSA-N -2 3 319.350 0.956 20 0 DCADHL CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1n[nH]c(=O)[n-]1 ZINC001591128458 1167111863 /nfs/dbraw/zinc/11/18/63/1167111863.db2.gz PHOVERXXLMEIJX-UHFFFAOYSA-N -2 3 306.311 0.024 20 0 DCADHL CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1n[nH]c(=O)[n-]1 ZINC001591128458 1167111867 /nfs/dbraw/zinc/11/18/67/1167111867.db2.gz PHOVERXXLMEIJX-UHFFFAOYSA-N -2 3 306.311 0.024 20 0 DCADHL COC[C@@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001591370553 1167242755 /nfs/dbraw/zinc/24/27/55/1167242755.db2.gz PCYKXIMJOXMMDG-CYBMUJFWSA-N -2 3 320.309 0.478 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591386056 1167253822 /nfs/dbraw/zinc/25/38/22/1167253822.db2.gz FSQYEQSXBXFTON-CYBMUJFWSA-N -2 3 304.310 0.189 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591386056 1167253831 /nfs/dbraw/zinc/25/38/31/1167253831.db2.gz FSQYEQSXBXFTON-CYBMUJFWSA-N -2 3 304.310 0.189 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnsn1 ZINC001591873033 1167403902 /nfs/dbraw/zinc/40/39/02/1167403902.db2.gz MRJIWSJBALCUHT-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnsn1 ZINC001591873033 1167403903 /nfs/dbraw/zinc/40/39/03/1167403903.db2.gz MRJIWSJBALCUHT-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-]c2cnsn2)c1-c1nnn[n-]1 ZINC001592241027 1167477717 /nfs/dbraw/zinc/47/77/17/1167477717.db2.gz GMYRAPBZIGICMF-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-]c2cnsn2)c1-c1nn[n-]n1 ZINC001592241027 1167477721 /nfs/dbraw/zinc/47/77/21/1167477721.db2.gz GMYRAPBZIGICMF-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1nccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001592416317 1167517641 /nfs/dbraw/zinc/51/76/41/1167517641.db2.gz MTNCBCWLOSQALH-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1nccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001592416317 1167517644 /nfs/dbraw/zinc/51/76/44/1167517644.db2.gz MTNCBCWLOSQALH-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001592580527 1167567686 /nfs/dbraw/zinc/56/76/86/1167567686.db2.gz NVKBHHBWTVTCIU-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC001592580527 1167567689 /nfs/dbraw/zinc/56/76/89/1167567689.db2.gz NVKBHHBWTVTCIU-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Nc1c(NC(=O)c2cncc([O-])c2)ccc(F)c1-c1nnn[n-]1 ZINC001592757316 1167633451 /nfs/dbraw/zinc/63/34/51/1167633451.db2.gz PRYOGDRUNBOSBH-UHFFFAOYSA-N -2 3 315.268 0.941 20 0 DCADHL O=C([O-])C(F)(F)CNCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593275522 1167751264 /nfs/dbraw/zinc/75/12/64/1167751264.db2.gz FIRWMBGBOYJSJU-UHFFFAOYSA-N -2 3 301.228 0.815 20 0 DCADHL O=C([O-])C(F)(F)CNCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593275522 1167751265 /nfs/dbraw/zinc/75/12/65/1167751265.db2.gz FIRWMBGBOYJSJU-UHFFFAOYSA-N -2 3 301.228 0.815 20 0 DCADHL Cc1cc(C)cc(CS(=O)(=O)[N-]c2n[n-]c(CC(=O)[O-])n2)c1 ZINC001600174336 1168129771 /nfs/dbraw/zinc/12/97/71/1168129771.db2.gz RGWJYOSVRMNCAK-UHFFFAOYSA-N -3 3 324.362 0.991 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)oc1C(=O)[O-] ZINC001600300592 1168161928 /nfs/dbraw/zinc/16/19/28/1168161928.db2.gz ZYEVMPUNQVBHSK-QMMMGPOBSA-N -3 3 305.308 0.674 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(C)C)c1C(=O)[O-] ZINC001600673298 1168245028 /nfs/dbraw/zinc/24/50/28/1168245028.db2.gz FEJFEWGQWPEULS-IUCAKERBSA-N -2 3 301.368 0.987 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H](CF)C(=O)[O-] ZINC001600891099 1168496093 /nfs/dbraw/zinc/49/60/93/1168496093.db2.gz UWCIFKLCKOUXEG-VIFPVBQESA-N -2 3 322.296 0.704 20 0 DCADHL Cn1cnc(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001600989920 1168548370 /nfs/dbraw/zinc/54/83/70/1168548370.db2.gz UJGAQGBOIAKZLP-UHFFFAOYSA-N -2 3 314.298 0.131 20 0 DCADHL O=C([O-])C[C@]1(N/C=C2/C(=O)[N-]C(=O)c3ccccc32)CCOC1 ZINC001601933870 1168939173 /nfs/dbraw/zinc/93/91/73/1168939173.db2.gz BUPLRKZIQOEPFV-OQRGYWNNSA-N -2 3 316.313 0.521 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H](O)c1ccco1 ZINC001602489210 1169091275 /nfs/dbraw/zinc/09/12/75/1169091275.db2.gz WCAKPWZIFVPHPD-QMMMGPOBSA-N -2 3 301.276 0.583 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCOC[C@@H]1CCOC1 ZINC001602488737 1169091640 /nfs/dbraw/zinc/09/16/40/1169091640.db2.gz RYTHJKRYQPUXCE-SECBINFHSA-N -2 3 319.335 0.309 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1 ZINC001602588842 1169128995 /nfs/dbraw/zinc/12/89/95/1169128995.db2.gz OFRGQIUPMZAMBB-SFYZADRCSA-N -2 3 320.392 0.671 20 0 DCADHL O=C([O-])C12CCC(C(=O)[N-]OCCN3CCCC3=O)(CC1)C2 ZINC001602643159 1169142767 /nfs/dbraw/zinc/14/27/67/1169142767.db2.gz GULJPVIBOGPDTB-UHFFFAOYSA-N -2 3 310.350 0.692 20 0 DCADHL O=C([O-])[C@H](CC(F)F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001602656449 1169149182 /nfs/dbraw/zinc/14/91/82/1169149182.db2.gz OCCRASBXBIBUGC-ZKXNXJMVSA-N -2 3 310.256 0.996 20 0 DCADHL CC(C)CNC(=O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603817285 1169402318 /nfs/dbraw/zinc/40/23/18/1169402318.db2.gz PTKXBCFBZYXIBL-UHFFFAOYSA-N -2 3 304.324 0.028 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001603994787 1169468344 /nfs/dbraw/zinc/46/83/44/1169468344.db2.gz IHQBNKUPRAOJHY-VIFPVBQESA-N -2 3 323.378 0.859 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603994787 1169468347 /nfs/dbraw/zinc/46/83/47/1169468347.db2.gz IHQBNKUPRAOJHY-VIFPVBQESA-N -2 3 323.378 0.859 20 0 DCADHL C[C@@](CC(=O)[O-])(NC(=O)c1c[n-]ncc1=O)c1cccnc1 ZINC001604087345 1169488162 /nfs/dbraw/zinc/48/81/62/1169488162.db2.gz AVTRZBNJVNYKMN-AWEZNQCLSA-N -2 3 302.290 0.697 20 0 DCADHL CCCCS(=O)(=O)[N-]C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001604190115 1169518753 /nfs/dbraw/zinc/51/87/53/1169518753.db2.gz MXXYSGWZYGRIKK-UHFFFAOYSA-N -2 3 324.366 0.430 20 0 DCADHL CCCCS(=O)(=O)[N-]C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001604190115 1169518757 /nfs/dbraw/zinc/51/87/57/1169518757.db2.gz MXXYSGWZYGRIKK-UHFFFAOYSA-N -2 3 324.366 0.430 20 0 DCADHL CCOC(=O)CCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605536903 1169952994 /nfs/dbraw/zinc/95/29/94/1169952994.db2.gz LZFJOQFABJZJOP-UHFFFAOYSA-N -2 3 322.364 0.463 20 0 DCADHL Cc1nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001606030770 1170059459 /nfs/dbraw/zinc/05/94/59/1170059459.db2.gz NTYBZNWVCIJZQP-OCAPTIKFSA-N -2 3 302.294 0.163 20 0 DCADHL Cc1nc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001606030770 1170059461 /nfs/dbraw/zinc/05/94/61/1170059461.db2.gz NTYBZNWVCIJZQP-OCAPTIKFSA-N -2 3 302.294 0.163 20 0 DCADHL Cc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)s1 ZINC001606123061 1170084352 /nfs/dbraw/zinc/08/43/52/1170084352.db2.gz AKKXKRMAIKRHLS-UHFFFAOYSA-N -2 3 303.307 0.985 20 0 DCADHL CN1CCCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001606225386 1170123265 /nfs/dbraw/zinc/12/32/65/1170123265.db2.gz BTUZKOWVRUHKLR-SECBINFHSA-N -2 3 317.367 0.383 20 0 DCADHL Cn1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606282732 1170147659 /nfs/dbraw/zinc/14/76/59/1170147659.db2.gz UILNVGIGCIPGGY-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001606282732 1170147668 /nfs/dbraw/zinc/14/76/68/1170147668.db2.gz UILNVGIGCIPGGY-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL COC(=O)CCCO[N-]C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001606452970 1170209375 /nfs/dbraw/zinc/20/93/75/1170209375.db2.gz LHKOVQKPIWPFTN-UHFFFAOYSA-N -2 3 313.310 0.363 20 0 DCADHL O=C(COC[C@H]1CCCO1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606566596 1170234855 /nfs/dbraw/zinc/23/48/55/1170234855.db2.gz OTQIWVXLCHHNEK-GFCCVEGCSA-N -2 3 319.321 0.472 20 0 DCADHL O=C(COC[C@H]1CCCO1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606566596 1170234862 /nfs/dbraw/zinc/23/48/62/1170234862.db2.gz OTQIWVXLCHHNEK-GFCCVEGCSA-N -2 3 319.321 0.472 20 0 DCADHL O=C([O-])CCCC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001606960446 1170339486 /nfs/dbraw/zinc/33/94/86/1170339486.db2.gz HXMDGKYSHQVDMY-UHFFFAOYSA-N -2 3 301.306 0.964 20 0 DCADHL O=C([O-])CCCC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001606960446 1170339493 /nfs/dbraw/zinc/33/94/93/1170339493.db2.gz HXMDGKYSHQVDMY-UHFFFAOYSA-N -2 3 301.306 0.964 20 0 DCADHL O=C([O-])[C@H](CNc1cnccc1-c1nnn[n-]1)C1CCOCC1 ZINC001606960328 1170340917 /nfs/dbraw/zinc/34/09/17/1170340917.db2.gz QKCFONKGAKMLSH-LLVKDONJSA-N -2 3 318.337 0.801 20 0 DCADHL O=C([O-])[C@H](CNc1cnccc1-c1nn[n-]n1)C1CCOCC1 ZINC001606960328 1170340921 /nfs/dbraw/zinc/34/09/21/1170340921.db2.gz QKCFONKGAKMLSH-LLVKDONJSA-N -2 3 318.337 0.801 20 0 DCADHL COc1cccc([O-])c1C(=O)N[C@H](CC1OCCO1)C(=O)[O-] ZINC001607326781 1170428747 /nfs/dbraw/zinc/42/87/47/1170428747.db2.gz RJWJTXHQIHVSTF-MRVPVSSYSA-N -2 3 311.290 0.347 20 0 DCADHL Cn1cc(C(=O)[O-])c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001608100195 1170572329 /nfs/dbraw/zinc/57/23/29/1170572329.db2.gz NDUNTKIEMXVMBS-UHFFFAOYSA-N -2 3 303.278 0.744 20 0 DCADHL NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001608231886 1170621849 /nfs/dbraw/zinc/62/18/49/1170621849.db2.gz IRKZGSNBUAJMHC-APPZFPTMSA-N -2 3 316.335 0.300 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC(=O)c1cncs1 ZINC001608339766 1170655209 /nfs/dbraw/zinc/65/52/09/1170655209.db2.gz JKJXAGJFJFKJOF-UHFFFAOYSA-N -2 3 316.316 0.596 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001608604756 1170714151 /nfs/dbraw/zinc/71/41/51/1170714151.db2.gz NPZYMGDWISUWJD-NXEZZACHSA-N -2 3 312.297 0.508 20 0 DCADHL O=C([O-])c1cc(CNCc2nc3c(c(=O)[n-]2)COCC3)c[nH]1 ZINC001608843544 1170764757 /nfs/dbraw/zinc/76/47/57/1170764757.db2.gz RHCIMSJJLZIFDQ-UHFFFAOYSA-N -2 3 304.306 0.571 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)n2)o1 ZINC001608913063 1170770989 /nfs/dbraw/zinc/77/09/89/1170770989.db2.gz FCFSLPWAENLTGW-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC[C@@H](O)C1CC1 ZINC001609003440 1170784560 /nfs/dbraw/zinc/78/45/60/1170784560.db2.gz NFLRVMMSZUPFGH-SSDOTTSWSA-N -2 3 306.365 0.281 20 0 DCADHL Cc1nc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001609448108 1170980754 /nfs/dbraw/zinc/98/07/54/1170980754.db2.gz PTETZIJQUZTJEX-NSHDSACASA-N -2 3 318.337 0.799 20 0 DCADHL Cc1nc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001609448108 1170980761 /nfs/dbraw/zinc/98/07/61/1170980761.db2.gz PTETZIJQUZTJEX-NSHDSACASA-N -2 3 318.337 0.799 20 0 DCADHL C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCC(=O)[O-] ZINC001609636407 1171056703 /nfs/dbraw/zinc/05/67/03/1171056703.db2.gz QHSGPSVELSSUKJ-JTQLQIEISA-N -2 3 308.334 0.796 20 0 DCADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609684665 1171065548 /nfs/dbraw/zinc/06/55/48/1171065548.db2.gz VJTUYIHSTYRFFO-QMMMGPOBSA-N -3 3 305.308 0.755 20 0 DCADHL COc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc(OC)c1[O-] ZINC001610280645 1171216115 /nfs/dbraw/zinc/21/61/15/1171216115.db2.gz NGXUMTMCNAYXFQ-BDAKNGLRSA-N -2 3 311.290 0.069 20 0 DCADHL COc1cc[n-]c(=NNS(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC001610369324 1171225449 /nfs/dbraw/zinc/22/54/49/1171225449.db2.gz BYQCFYYMSIJOFR-UHFFFAOYSA-N -2 3 314.279 0.082 20 0 DCADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCc3c(=O)[n-]cnc3C2)C1 ZINC001610740317 1171306405 /nfs/dbraw/zinc/30/64/05/1171306405.db2.gz TUUVFTPDLFWWLY-VHSXEESVSA-N -2 3 305.334 0.958 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001630807276 1171583035 /nfs/dbraw/zinc/58/30/35/1171583035.db2.gz QTYHUXICFHOYFF-UHFFFAOYSA-N -2 3 321.243 0.560 20 0 DCADHL CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1nnn[n-]1 ZINC001641462387 1171916532 /nfs/dbraw/zinc/91/65/32/1171916532.db2.gz RJEPLOVEJHKLPS-UHFFFAOYSA-N -2 3 303.257 0.507 20 0 DCADHL CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1nn[n-]n1 ZINC001641462387 1171916538 /nfs/dbraw/zinc/91/65/38/1171916538.db2.gz RJEPLOVEJHKLPS-UHFFFAOYSA-N -2 3 303.257 0.507 20 0 DCADHL O=C1[N-]S(=O)(=O)c2cc(NCc3ncccc3[O-])ccc21 ZINC001169732219 760824018 /nfs/dbraw/zinc/82/40/18/760824018.db2.gz IXBFRKIGFFOVDS-UHFFFAOYSA-N -2 3 305.315 0.831 20 0 DCADHL CC(=O)[N-]S(=O)(=O)c1ccc(NCc2ncccc2[O-])nc1 ZINC001158776173 771820635 /nfs/dbraw/zinc/82/06/35/771820635.db2.gz RKHQPKKNJOKVOD-UHFFFAOYSA-N -2 3 322.346 0.619 20 0 DCADHL Cc1cncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185556127 771927729 /nfs/dbraw/zinc/92/77/29/771927729.db2.gz SNMNPQOLUGBWDI-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185556127 771927732 /nfs/dbraw/zinc/92/77/32/771927732.db2.gz SNMNPQOLUGBWDI-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)COC1 ZINC001195245393 773354109 /nfs/dbraw/zinc/35/41/09/773354109.db2.gz QODKRSXKPYFHMT-UHFFFAOYSA-N -2 3 321.301 0.978 20 0 DCADHL COc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cn1 ZINC001195741949 773474329 /nfs/dbraw/zinc/47/43/29/773474329.db2.gz WQERIIHNSTUDCJ-UHFFFAOYSA-N -2 3 324.295 0.326 20 0 DCADHL Cc1ccnc(S(=O)(=O)[N-]c2cc([O-])cc(C(N)=O)c2)c1 ZINC001198011282 773833914 /nfs/dbraw/zinc/83/39/14/773833914.db2.gz CPLILDIZBYMTIV-UHFFFAOYSA-N -2 3 307.331 0.995 20 0 DCADHL C[C@H](CON)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227598690 775989281 /nfs/dbraw/zinc/98/92/81/775989281.db2.gz ZONZVGCZHMBBBW-GSVOUGTGSA-N -2 3 304.104 0.479 20 0 DCADHL O=C([O-])CNC(=O)C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001602065380 1168982776 /nfs/dbraw/zinc/98/27/76/1168982776.db2.gz ASONTVCRMYFWIG-UHFFFAOYSA-N -2 3 320.679 0.749 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2(O)CCOCC2)o1 ZINC001602397968 1169071047 /nfs/dbraw/zinc/07/10/47/1169071047.db2.gz RMAGPKLYTZBNTP-UHFFFAOYSA-N -2 3 319.335 0.188 20 0 DCADHL CS(=O)(=O)c1ccccc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001413323659 942890314 /nfs/dbraw/zinc/89/03/14/942890314.db2.gz CFFSPQHUTSSPOF-UHFFFAOYSA-N -2 3 323.330 0.221 20 0 DCADHL COc1cccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001259193165 946926248 /nfs/dbraw/zinc/92/62/48/946926248.db2.gz COVKERPMYSDYMU-UHFFFAOYSA-N -2 3 323.307 0.931 20 0 DCADHL Cc1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(=O)[n-]1 ZINC001260194243 947082493 /nfs/dbraw/zinc/08/24/93/947082493.db2.gz ILWCWWFKFWCKOS-SNVBAGLBSA-N -2 3 309.303 0.061 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)nc1 ZINC001595220578 949235850 /nfs/dbraw/zinc/23/58/50/949235850.db2.gz PXSAKNTZWRKHPJ-UHFFFAOYSA-N -2 3 306.303 0.494 20 0 DCADHL CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001364566185 949560764 /nfs/dbraw/zinc/56/07/64/949560764.db2.gz AFMLYXRUBXELKP-SSDOTTSWSA-N -2 3 321.366 0.355 20 0 DCADHL O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1cc3c(cc1[O-])OCO3)C2 ZINC001595279459 949964318 /nfs/dbraw/zinc/96/43/18/949964318.db2.gz ZZDYZALRENPOKU-ANRSDYALSA-N -2 3 321.285 0.294 20 0 DCADHL O=C([O-])CC1(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCOCC1 ZINC001594970418 950838612 /nfs/dbraw/zinc/83/86/12/950838612.db2.gz ASUAWHMEFKCLNO-SNVBAGLBSA-N -2 3 323.349 0.703 20 0 DCADHL O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001411938715 952553522 /nfs/dbraw/zinc/55/35/22/952553522.db2.gz ONUWFQZIKNOXGK-VIFPVBQESA-N -2 3 315.337 0.593 20 0 DCADHL CCC(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589419751 954588009 /nfs/dbraw/zinc/58/80/09/954588009.db2.gz HIBKVTCXNNRBCL-UWVGGRQHSA-N -2 3 324.299 0.952 20 0 DCADHL CC[C@@H](CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)C(=O)[O-] ZINC001589533603 955147570 /nfs/dbraw/zinc/14/75/70/955147570.db2.gz BXAUNYIZNYTUTD-VHSXEESVSA-N -2 3 323.353 0.171 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)o1 ZINC000386946132 972092791 /nfs/dbraw/zinc/09/27/91/972092791.db2.gz VMYRIVGMXCFTQR-SECBINFHSA-N -2 3 301.320 0.825 20 0 DCADHL CC(C)c1nnsc1C(=O)[N-]c1n[n-]c(S(C)(=O)=O)n1 ZINC001413849487 955738691 /nfs/dbraw/zinc/73/86/91/955738691.db2.gz IDKWAWMNWCUMFB-UHFFFAOYSA-N -2 3 316.368 0.435 20 0 DCADHL Cn1nccc1[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001594588394 956021470 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/nfs/dbraw/zinc/17/80/94/604178094.db2.gz UPSOGQKQXFBATL-UHFFFAOYSA-N -2 3 311.298 0.039 20 0 DCADHL CN(C)CCN(CC(=O)[O-])C(=O)c1cccc(NC(=O)[O-])c1 ZINC000830604874 604366724 /nfs/dbraw/zinc/36/67/24/604366724.db2.gz WKGOCNHSARWDPT-UHFFFAOYSA-N -2 3 309.322 0.865 20 0 DCADHL Cc1cc(=O)[n-]c(CSCCc2cn(CC(=O)[O-])nn2)n1 ZINC000832899378 604805109 /nfs/dbraw/zinc/80/51/09/604805109.db2.gz NRLAIKWPXSQQOI-UHFFFAOYSA-N -2 3 309.351 0.643 20 0 DCADHL COCCOCCS(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000831766944 604890263 /nfs/dbraw/zinc/89/02/63/604890263.db2.gz AMJIHKXSTGXHRO-UHFFFAOYSA-N -2 3 309.365 0.851 20 0 DCADHL CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833489369 605026950 /nfs/dbraw/zinc/02/69/50/605026950.db2.gz HZKHKPKLDUNHBL-QMMMGPOBSA-N -2 3 319.335 0.844 20 0 DCADHL CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833428347 605034689 /nfs/dbraw/zinc/03/46/89/605034689.db2.gz YGGMAEPMTIIACC-SSDOTTSWSA-N -2 3 308.381 0.527 20 0 DCADHL O=C([O-])NCc1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)o1 ZINC000834246855 605833656 /nfs/dbraw/zinc/83/36/56/605833656.db2.gz RHQDQWCLLMMTSJ-UHFFFAOYSA-N -2 3 318.289 0.741 20 0 DCADHL O=C([O-])N1CCC[C@H]1CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000833988865 605834920 /nfs/dbraw/zinc/83/49/20/605834920.db2.gz VVIZBLZZUHIHNO-VIFPVBQESA-N -2 3 306.322 0.599 20 0 DCADHL O=C([O-])N1CCC(CC(=O)N2CCc3nc[n-]c(=O)c3C2)CC1 ZINC000834070855 605835664 /nfs/dbraw/zinc/83/56/64/605835664.db2.gz BWQJWGWCNCBURQ-UHFFFAOYSA-N -2 3 320.349 0.847 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823266034 606183030 /nfs/dbraw/zinc/18/30/30/606183030.db2.gz KOOCMHCOLKCRFU-UHFFFAOYSA-N -2 3 301.270 0.012 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823266034 606183031 /nfs/dbraw/zinc/18/30/31/606183031.db2.gz KOOCMHCOLKCRFU-UHFFFAOYSA-N -2 3 301.270 0.012 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)c(NCCCc2n[nH]c(=O)[n-]2)n1 ZINC000822214970 607228157 /nfs/dbraw/zinc/22/81/57/607228157.db2.gz GSLNPPQITJPCNA-UHFFFAOYSA-N -2 3 301.314 0.439 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)c(NCCCc2n[nH]c(=O)[n-]2)n1 ZINC000822214970 607228158 /nfs/dbraw/zinc/22/81/58/607228158.db2.gz GSLNPPQITJPCNA-UHFFFAOYSA-N -2 3 301.314 0.439 20 0 DCADHL C[C@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)c1ncccc1[O-] ZINC000986168269 662563615 /nfs/dbraw/zinc/56/36/15/662563615.db2.gz FXQZOVGHWQPMIH-DTWKUNHWSA-N -2 3 318.337 0.004 20 0 DCADHL CO[C@]1(C(=O)[O-])CCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000864171425 667221793 /nfs/dbraw/zinc/22/17/93/667221793.db2.gz VLWQFMNZSPLPJG-OAHLLOKOSA-N -2 3 317.301 0.651 20 0 DCADHL O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000864214089 667225536 /nfs/dbraw/zinc/22/55/36/667225536.db2.gz ISVAMTLBWGNXME-AMIZOPFISA-N -2 3 317.301 0.555 20 0 DCADHL O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc([O-])c(Cl)c1 ZINC000780992143 669024314 /nfs/dbraw/zinc/02/43/14/669024314.db2.gz UXSVEEREKOWKKN-UHFFFAOYSA-N -2 3 309.709 0.924 20 0 DCADHL O=C(c1cc(Cl)ccc1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798148120 669988276 /nfs/dbraw/zinc/98/82/76/669988276.db2.gz NUTGQIFRXOFIBR-UHFFFAOYSA-N -2 3 323.740 0.683 20 0 DCADHL O=C(c1cc(Cl)ccc1[O-])N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148120 669988279 /nfs/dbraw/zinc/98/82/79/669988279.db2.gz NUTGQIFRXOFIBR-UHFFFAOYSA-N -2 3 323.740 0.683 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCOCC2)o1 ZINC000844787116 672202843 /nfs/dbraw/zinc/20/28/43/672202843.db2.gz SHWXXFXHTQHEEZ-NSHDSACASA-N -2 3 303.336 0.746 20 0 DCADHL CNC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844893380 672208451 /nfs/dbraw/zinc/20/84/51/672208451.db2.gz SXOCBJDZHPZAIE-UHFFFAOYSA-N -2 3 322.289 0.077 20 0 DCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000846003060 672287969 /nfs/dbraw/zinc/28/79/69/672287969.db2.gz RBUBINYBPAKECI-UHFFFAOYSA-N -2 3 311.722 0.220 20 0 DCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000846003860 672288338 /nfs/dbraw/zinc/28/83/38/672288338.db2.gz RQXRISCUSUBUHL-UHFFFAOYSA-N -2 3 308.306 0.619 20 0 DCADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001609895583 1159826869 /nfs/dbraw/zinc/82/68/69/1159826869.db2.gz LEWNJEJMYOKIIG-NSHDSACASA-N -3 3 305.308 0.757 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001573624497 1163516413 /nfs/dbraw/zinc/51/64/13/1163516413.db2.gz CCTMGQAWORBMPF-GFCCVEGCSA-N -2 3 318.333 0.947 20 0 DCADHL COC1CCC([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC001573955073 1163599788 /nfs/dbraw/zinc/59/97/88/1163599788.db2.gz VBVQIHZVPWZWBH-UHFFFAOYSA-N -2 3 317.367 0.652 20 0 DCADHL COc1ccc(C(=O)N[C@H]2CN(C(=O)[O-])C[C@H]2CO)c([O-])c1 ZINC001574022952 1163625047 /nfs/dbraw/zinc/62/50/47/1163625047.db2.gz FHCMKKWTDOIATO-KWQFWETISA-N -2 3 310.306 0.101 20 0 DCADHL C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)Nc1nnn[n-]1 ZINC001574108044 1163638040 /nfs/dbraw/zinc/63/80/40/1163638040.db2.gz RDXLYXFZOHBAGD-ONGXEEELSA-N -2 3 318.337 0.202 20 0 DCADHL C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)Nc1nn[n-]n1 ZINC001574108044 1163638044 /nfs/dbraw/zinc/63/80/44/1163638044.db2.gz RDXLYXFZOHBAGD-ONGXEEELSA-N -2 3 318.337 0.202 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@H](C)c2nc(C(=O)[O-])n[nH]2)s1 ZINC001574192054 1163657635 /nfs/dbraw/zinc/65/76/35/1163657635.db2.gz OEJZARPSNMLYNS-SCSAIBSYSA-N -2 3 317.352 0.307 20 0 DCADHL Cc1[nH]c(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1C(=O)[O-] ZINC001574194158 1163659330 /nfs/dbraw/zinc/65/93/30/1163659330.db2.gz YNJSNTXKFGPZAB-UHFFFAOYSA-N -2 3 302.290 0.981 20 0 DCADHL Cn1[n-]c(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1=O ZINC001581821615 1165883843 /nfs/dbraw/zinc/88/38/43/1165883843.db2.gz CAWUNSWDYTYKBK-UHFFFAOYSA-N -2 3 303.257 0.697 20 0 DCADHL Cn1[n-]c(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1=O ZINC001581821615 1165883849 /nfs/dbraw/zinc/88/38/49/1165883849.db2.gz CAWUNSWDYTYKBK-UHFFFAOYSA-N -2 3 303.257 0.697 20 0 DCADHL Cn1[n-]c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1=O ZINC001581821885 1165884165 /nfs/dbraw/zinc/88/41/65/1165884165.db2.gz UATLVCNUYNYPKQ-UHFFFAOYSA-N -2 3 317.284 0.375 20 0 DCADHL Cn1[n-]c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1=O ZINC001581821885 1165884172 /nfs/dbraw/zinc/88/41/72/1165884172.db2.gz UATLVCNUYNYPKQ-UHFFFAOYSA-N -2 3 317.284 0.375 20 0 DCADHL CN1N=C(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC001581821677 1165884351 /nfs/dbraw/zinc/88/43/51/1165884351.db2.gz HDHGMXJCWFUBJG-UHFFFAOYSA-N -2 3 301.266 0.030 20 0 DCADHL CN1N=C(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC001581821677 1165884357 /nfs/dbraw/zinc/88/43/57/1165884357.db2.gz HDHGMXJCWFUBJG-UHFFFAOYSA-N -2 3 301.266 0.030 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001582558100 1166044040 /nfs/dbraw/zinc/04/40/40/1166044040.db2.gz HCIXLPTYTYDZMJ-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001582558100 1166044047 /nfs/dbraw/zinc/04/40/47/1166044047.db2.gz HCIXLPTYTYDZMJ-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589025286 1166629495 /nfs/dbraw/zinc/62/94/95/1166629495.db2.gz PQXWVOXIDKTCIF-RXMQYKEDSA-N -2 3 317.352 0.022 20 0 DCADHL C[C@H](C(=O)[O-])C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001589025487 1166629581 /nfs/dbraw/zinc/62/95/81/1166629581.db2.gz WUPDIHFTLKTABO-VIFPVBQESA-N -2 3 303.322 0.588 20 0 DCADHL CC(C)C[C@H](C(N)=O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589541782 1166664269 /nfs/dbraw/zinc/66/42/69/1166664269.db2.gz KZOPQYZIEHUZNG-LLVKDONJSA-N -2 3 318.337 0.424 20 0 DCADHL CC(C)C[C@H](C(N)=O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589541782 1166664277 /nfs/dbraw/zinc/66/42/77/1166664277.db2.gz KZOPQYZIEHUZNG-LLVKDONJSA-N -2 3 318.337 0.424 20 0 DCADHL CC(C)OC[C@H](NCc1cccc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001589750039 1166684251 /nfs/dbraw/zinc/68/42/51/1166684251.db2.gz RKMXEEBGGYMPHQ-NSHDSACASA-N -2 3 306.326 0.230 20 0 DCADHL CC(C)OC[C@H](NCc1cccc(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001589750039 1166684257 /nfs/dbraw/zinc/68/42/57/1166684257.db2.gz RKMXEEBGGYMPHQ-NSHDSACASA-N -2 3 306.326 0.230 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001590016465 1166753807 /nfs/dbraw/zinc/75/38/07/1166753807.db2.gz VTDLTCABDGUWGM-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001590016465 1166753813 /nfs/dbraw/zinc/75/38/13/1166753813.db2.gz VTDLTCABDGUWGM-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C(=O)[O-] ZINC001590261413 1166829130 /nfs/dbraw/zinc/82/91/30/1166829130.db2.gz PKSDCPACYRLSRO-GMSGAONNSA-N -2 3 304.310 0.520 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590645505 1166959973 /nfs/dbraw/zinc/95/99/73/1166959973.db2.gz ZEFFCVSDFMGAEO-UHFFFAOYSA-N -2 3 324.728 0.916 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590645505 1166959979 /nfs/dbraw/zinc/95/99/79/1166959979.db2.gz ZEFFCVSDFMGAEO-UHFFFAOYSA-N -2 3 324.728 0.916 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001590819331 1167031513 /nfs/dbraw/zinc/03/15/13/1167031513.db2.gz PXUVSMMPDAPCNX-UHFFFAOYSA-N -2 3 319.325 0.364 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001590819331 1167031514 /nfs/dbraw/zinc/03/15/14/1167031514.db2.gz PXUVSMMPDAPCNX-UHFFFAOYSA-N -2 3 319.325 0.364 20 0 DCADHL CC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC001590856976 1167037690 /nfs/dbraw/zinc/03/76/90/1167037690.db2.gz KUCNIJSYFWKMKN-MRVPVSSYSA-N -2 3 311.323 0.008 20 0 DCADHL CC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC001590856976 1167037693 /nfs/dbraw/zinc/03/76/93/1167037693.db2.gz KUCNIJSYFWKMKN-MRVPVSSYSA-N -2 3 311.323 0.008 20 0 DCADHL CSc1nc(=O)n(CCOc2ccccc2-c2nnn[n-]2)[n-]1 ZINC001591720625 1167361081 /nfs/dbraw/zinc/36/10/81/1167361081.db2.gz CRUUTIONPMDDIK-UHFFFAOYSA-N -2 3 319.350 0.552 20 0 DCADHL CSc1nc(=O)n(CCOc2ccccc2-c2nn[n-]n2)[n-]1 ZINC001591720625 1167361087 /nfs/dbraw/zinc/36/10/87/1167361087.db2.gz CRUUTIONPMDDIK-UHFFFAOYSA-N -2 3 319.350 0.552 20 0 DCADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591735339 1167364938 /nfs/dbraw/zinc/36/49/38/1167364938.db2.gz OGXRWOJVNUAKHA-BXKDBHETSA-N -2 3 315.333 0.873 20 0 DCADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001591753012 1167365757 /nfs/dbraw/zinc/36/57/57/1167365757.db2.gz NEKZQUJSFBOOQY-LDYMZIIASA-N -2 3 321.362 0.469 20 0 DCADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001591753012 1167365764 /nfs/dbraw/zinc/36/57/64/1167365764.db2.gz NEKZQUJSFBOOQY-LDYMZIIASA-N -2 3 321.362 0.469 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2nncs2)ccc1-c1nnn[n-]1 ZINC001592067698 1167448508 /nfs/dbraw/zinc/44/85/08/1167448508.db2.gz POPAMYGWYUNQBU-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2nncs2)ccc1-c1nn[n-]n1 ZINC001592067698 1167448515 /nfs/dbraw/zinc/44/85/15/1167448515.db2.gz POPAMYGWYUNQBU-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001592155135 1167463852 /nfs/dbraw/zinc/46/38/52/1167463852.db2.gz ORMWLHPNPBQAKU-GFCCVEGCSA-N -2 3 303.322 0.461 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2c(-c3nnn[n-]3)cnn2C)cc1 ZINC001592195494 1167476290 /nfs/dbraw/zinc/47/62/90/1167476290.db2.gz GYAZAIHGXGFJCN-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1cccs1 ZINC001592597523 1167579463 /nfs/dbraw/zinc/57/94/63/1167579463.db2.gz GVECGJSYZOSRDF-UHFFFAOYSA-N -2 3 311.352 0.463 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593004912 1167684015 /nfs/dbraw/zinc/68/40/15/1167684015.db2.gz ONXXMIIUVMSJQX-SDDRHHMPSA-N -2 3 313.317 0.171 20 0 DCADHL O=C([O-])[C@@]1(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001593216826 1167740729 /nfs/dbraw/zinc/74/07/29/1167740729.db2.gz YMKNXQPLFMYUDY-CYBMUJFWSA-N -2 3 318.293 0.232 20 0 DCADHL O=c1[n-]c(CNc2ncc(-c3nnn[n-]3)c3ccsc32)n[nH]1 ZINC001593489518 1167873011 /nfs/dbraw/zinc/87/30/11/1167873011.db2.gz ADSWRGFXMYLPEB-UHFFFAOYSA-N -2 3 315.322 0.912 20 0 DCADHL O=c1[n-]c(CNc2ncc(-c3nn[n-]n3)c3ccsc32)n[nH]1 ZINC001593489518 1167873020 /nfs/dbraw/zinc/87/30/20/1167873020.db2.gz ADSWRGFXMYLPEB-UHFFFAOYSA-N -2 3 315.322 0.912 20 0 DCADHL Cc1cc(C(=O)[O-])nc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001600126992 1168125083 /nfs/dbraw/zinc/12/50/83/1168125083.db2.gz LRFIQRVWNMGTRO-SECBINFHSA-N -2 3 316.321 0.670 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)nn1 ZINC001600482942 1168190951 /nfs/dbraw/zinc/19/09/51/1168190951.db2.gz PDTVPRVOOMJLFD-YTWAJWBKSA-N -2 3 311.363 0.563 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2ccsc2)c1C(=O)[O-] ZINC001600674898 1168246085 /nfs/dbraw/zinc/24/60/85/1168246085.db2.gz XNJFVKPYOGUGKJ-UHFFFAOYSA-N -2 3 301.349 0.956 20 0 DCADHL Cc1nc([N-]C(=O)c2cc(C(=O)[O-])no2)n(-c2ccccc2)n1 ZINC001600713054 1168261814 /nfs/dbraw/zinc/26/18/14/1168261814.db2.gz KZKLNXILXIZNBO-UHFFFAOYSA-N -2 3 313.273 0.936 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)OCc1oncc1C(=O)[O-] ZINC001600732201 1168266714 /nfs/dbraw/zinc/26/67/14/1168266714.db2.gz HBXLNLYQGPFFNA-UHFFFAOYSA-N -2 3 307.262 0.853 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001600858391 1168488448 /nfs/dbraw/zinc/48/84/48/1168488448.db2.gz VVWIZNBJVJLHGB-UWVGGRQHSA-N -2 3 319.335 0.104 20 0 DCADHL O=C([O-])[C@H](Cn1ccnc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001601360524 1168718619 /nfs/dbraw/zinc/71/86/19/1168718619.db2.gz FIROLCZOIBMIGG-NSHDSACASA-N -2 3 307.281 0.540 20 0 DCADHL O=C([O-])c1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)nc1 ZINC001601495224 1168765490 /nfs/dbraw/zinc/76/54/90/1168765490.db2.gz VRHCWRSZRBEPCE-MRVPVSSYSA-N -2 3 305.294 0.413 20 0 DCADHL O=C([O-])[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3cccnc3F)[C@@H]2C1 ZINC001601863633 1168920593 /nfs/dbraw/zinc/92/05/93/1168920593.db2.gz GSLPTFWIETUIBF-RGOKHQFPSA-N -2 3 314.338 0.998 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCN1CCSCC1 ZINC001602488843 1169088583 /nfs/dbraw/zinc/08/85/83/1169088583.db2.gz VTWUCGUSPKUDTJ-UHFFFAOYSA-N -2 3 320.392 0.305 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001602488761 1169091577 /nfs/dbraw/zinc/09/15/77/1169091577.db2.gz LRMITHSKMFTIEZ-MRTMQBJTSA-N -2 3 317.319 0.060 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC001602506624 1169100896 /nfs/dbraw/zinc/10/08/96/1169100896.db2.gz HZBRPRAXCQFQGO-SNVBAGLBSA-N -2 3 317.367 0.327 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@H](O)C1CCCC1 ZINC001602506651 1169101943 /nfs/dbraw/zinc/10/19/43/1169101943.db2.gz JOZJLRMAQXIBPQ-JTQLQIEISA-N -2 3 317.367 0.327 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c1 ZINC001602559224 1169118534 /nfs/dbraw/zinc/11/85/34/1169118534.db2.gz MMIYHAYMYSOWBW-UHFFFAOYSA-N -3 3 315.259 0.748 20 0 DCADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001602656914 1169149157 /nfs/dbraw/zinc/14/91/57/1169149157.db2.gz WGJSFYYEQFIGPS-ABKXIKBNSA-N -2 3 314.297 0.650 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001602656443 1169149165 /nfs/dbraw/zinc/14/91/65/1169149165.db2.gz OACFHSAOLSHMON-XVKPBYJWSA-N -2 3 306.249 0.207 20 0 DCADHL CC(C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603256491 1169282979 /nfs/dbraw/zinc/28/29/79/1169282979.db2.gz IPHZCOCEYZCKQF-UHFFFAOYSA-N -2 3 310.339 0.113 20 0 DCADHL CC(C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603256491 1169282982 /nfs/dbraw/zinc/28/29/82/1169282982.db2.gz IPHZCOCEYZCKQF-UHFFFAOYSA-N -2 3 310.339 0.113 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001604438038 1169594398 /nfs/dbraw/zinc/59/43/98/1169594398.db2.gz OIRWKUWUNFFYMD-UHFFFAOYSA-N -2 3 319.325 0.364 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001604438038 1169594401 /nfs/dbraw/zinc/59/44/01/1169594401.db2.gz OIRWKUWUNFFYMD-UHFFFAOYSA-N -2 3 319.325 0.364 20 0 DCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)O1 ZINC001604677889 1169653320 /nfs/dbraw/zinc/65/33/20/1169653320.db2.gz VJKIWQLSNATYLS-KWQFWETISA-N -2 3 313.331 0.508 20 0 DCADHL C/C=C\C[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCC ZINC001604852955 1169709576 /nfs/dbraw/zinc/70/95/76/1169709576.db2.gz UMYKBGUSTUDWEN-BXKUYDPTSA-N -2 3 321.395 0.915 20 0 DCADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)c1 ZINC001605821840 1170008800 /nfs/dbraw/zinc/00/88/00/1170008800.db2.gz YCFOSQXASWEFPQ-VXGBXAGGSA-N -2 3 321.329 0.900 20 0 DCADHL CCc1cccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1[O-] ZINC001605825697 1170009026 /nfs/dbraw/zinc/00/90/26/1170009026.db2.gz CDQBBAHCRDPJRV-UHFFFAOYSA-N -2 3 316.317 0.941 20 0 DCADHL CN1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001606226252 1170124334 /nfs/dbraw/zinc/12/43/34/1170124334.db2.gz GAPDOMOTIBETAQ-ZETCQYMHSA-N -2 3 305.381 0.214 20 0 DCADHL COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606332667 1170160389 /nfs/dbraw/zinc/16/03/89/1170160389.db2.gz KXKSHLJMVHSUHS-ZETCQYMHSA-N -2 3 309.271 0.157 20 0 DCADHL CO[C@@H]1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)[C@@H](C(=O)[O-])C1 ZINC001606760003 1170280438 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O=C(C=Cc1ccc(C(=O)[O-])o1)NCCCc1c[n-][nH]c1=O ZINC001608285871 1170642981 /nfs/dbraw/zinc/64/29/81/1170642981.db2.gz BCLPSSAYDNBLGD-RNEXMXFGSA-N -2 3 305.290 0.619 20 0 DCADHL O=C([O-])c1cc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c[nH]1 ZINC001608409359 1170672671 /nfs/dbraw/zinc/67/26/71/1170672671.db2.gz AFKGQGFBPYIXTG-SECBINFHSA-N -2 3 317.305 0.217 20 0 DCADHL O=C([O-])[C@@H](F)CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001608459603 1170684291 /nfs/dbraw/zinc/68/42/91/1170684291.db2.gz INSVNNHCAVOFNE-VIFPVBQESA-N -2 3 314.219 0.959 20 0 DCADHL O=C([O-])C1=CC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001608476502 1170687615 /nfs/dbraw/zinc/68/76/15/1170687615.db2.gz RJWDPQQTLBNYEN-ZCFIWIBFSA-N -2 3 319.243 0.796 20 0 DCADHL O=C([O-])c1ccc2[nH]c(CN3CC[C@@H](c4nnn[n-]4)C3)nc2c1 ZINC001608916102 1170771697 /nfs/dbraw/zinc/77/16/97/1170771697.db2.gz GVEMDHAWENVTPT-SECBINFHSA-N -2 3 313.321 0.764 20 0 DCADHL O=C([O-])c1ccc2[nH]c(CN3CC[C@@H](c4nn[n-]n4)C3)nc2c1 ZINC001608916102 1170771704 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/nfs/dbraw/zinc/21/91/10/1171219110.db2.gz FSLPVTCECATUJR-LLVKDONJSA-N -2 3 322.317 0.206 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000044677395 1171574631 /nfs/dbraw/zinc/57/46/31/1171574631.db2.gz JSSRIICOBOGCKS-ONGXEEELSA-N -2 3 307.331 0.942 20 0 DCADHL COc1cccc2c(OC(=O)[C@H](O)CCC(=O)[O-])[n-]c(=O)nc12 ZINC001231349450 769232928 /nfs/dbraw/zinc/23/29/28/769232928.db2.gz MKWQFJVJKFIQLG-MRVPVSSYSA-N -2 3 322.273 0.475 20 0 DCADHL CCOC(=O)c1ncc(NC(=O)c2ccn(C)c2CC(=O)[O-])[n-]1 ZINC001177363863 770431393 /nfs/dbraw/zinc/43/13/93/770431393.db2.gz VVMUIFMCCVNXLD-UHFFFAOYSA-N -2 3 320.305 0.804 20 0 DCADHL CCOC(=O)c1nc(NC(=O)c2ccn(C)c2CC(=O)[O-])c[n-]1 ZINC001177363863 770431396 /nfs/dbraw/zinc/43/13/96/770431396.db2.gz VVMUIFMCCVNXLD-UHFFFAOYSA-N -2 3 320.305 0.804 20 0 DCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccncc1[O-] ZINC001188628651 772336562 /nfs/dbraw/zinc/33/65/62/772336562.db2.gz HAMGIYZUHLKDMP-UHFFFAOYSA-N -2 3 319.273 0.941 20 0 DCADHL Nc1c2c(=O)nccc-2[n-]n1C(=O)c1ccc(=O)[n-]c1Cl ZINC001190926976 772694324 /nfs/dbraw/zinc/69/43/24/772694324.db2.gz ZETUVBCWYBWNKD-UHFFFAOYSA-N -2 3 305.681 0.701 20 0 DCADHL COC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195248962 773354719 /nfs/dbraw/zinc/35/47/19/773354719.db2.gz MUKFCQYMRTZAHG-UHFFFAOYSA-N -2 3 309.246 0.114 20 0 DCADHL CC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195248056 773355735 /nfs/dbraw/zinc/35/57/35/773355735.db2.gz AKSAMGAXMKTBJW-ZCFIWIBFSA-N -2 3 309.290 0.712 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])c1cnn(-c2cccnc2)c1 ZINC001197584908 773773323 /nfs/dbraw/zinc/77/33/23/773773323.db2.gz OZPYXUVTBJXXAK-UHFFFAOYSA-N -2 3 324.277 0.955 20 0 DCADHL CN(C)c1ccc(C(=O)NCCCCP(=O)([O-])[O-])nc1 ZINC001198138819 773860650 /nfs/dbraw/zinc/86/06/50/773860650.db2.gz WVPOLJIPQCRWAR-UHFFFAOYSA-N -2 3 301.283 0.835 20 0 DCADHL O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000316783616 774985321 /nfs/dbraw/zinc/98/53/21/774985321.db2.gz 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O=C([O-])c1coc(S(=O)(=O)[N-]CCO[C@@H]2CCOC2)c1 ZINC001602558907 1169116100 /nfs/dbraw/zinc/11/61/00/1169116100.db2.gz HGNHQCSLVRBTEK-SECBINFHSA-N -2 3 305.308 0.062 20 0 DCADHL C[C@H]1CCn2cc(C(=O)NCc3nc([O-])cc(=O)[n-]3)nc2C1 ZINC001413344181 942910447 /nfs/dbraw/zinc/91/04/47/942910447.db2.gz QFMAQOVWUORPSM-QMMMGPOBSA-N -2 3 303.322 0.597 20 0 DCADHL O=C([O-])C1(NC(=O)c2cc(F)cc3n[n-]nc32)CCOCC1 ZINC001601431049 970995936 /nfs/dbraw/zinc/99/59/36/970995936.db2.gz KEIRYEGZKLFCFY-UHFFFAOYSA-N -2 3 308.269 0.461 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259863459 947002189 /nfs/dbraw/zinc/00/21/89/947002189.db2.gz QYVOUZQRVTXFSU-UHFFFAOYSA-N -2 3 305.292 0.631 20 0 DCADHL C[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)NC(C)(C)C ZINC001604357615 1169567164 /nfs/dbraw/zinc/56/71/64/1169567164.db2.gz DAPMNLXPSMLRSA-ZETCQYMHSA-N -2 3 318.351 0.559 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ncc[n-]1)c1ccsc1 ZINC001365702178 951452059 /nfs/dbraw/zinc/45/20/59/951452059.db2.gz 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XLYBPDANMULOEU-UHFFFAOYSA-N -2 3 306.204 0.316 20 0 DCADHL Cc1onc(CC(=O)[N-]OCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826348654 671486561 /nfs/dbraw/zinc/48/65/61/671486561.db2.gz XLYBPDANMULOEU-UHFFFAOYSA-N -2 3 306.204 0.316 20 0 DCADHL O=C([O-])COCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844785754 685368740 /nfs/dbraw/zinc/36/87/40/685368740.db2.gz MQFFCZXGWOCBIZ-UHFFFAOYSA-N -2 3 312.706 0.254 20 0 DCADHL CCc1onc(C)c1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573844395 1163565638 /nfs/dbraw/zinc/56/56/38/1163565638.db2.gz GQDXBSYORYUJHY-UHFFFAOYSA-N -2 3 314.323 0.445 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001574156493 1163650199 /nfs/dbraw/zinc/65/01/99/1163650199.db2.gz IRCUOAXMFCFUPG-VHSXEESVSA-N -2 3 315.351 0.086 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001579267055 1165255604 /nfs/dbraw/zinc/25/56/04/1165255604.db2.gz BDUUJOXQYYQXLN-UHFFFAOYSA-N -2 3 315.293 0.156 20 0 DCADHL COc1cncc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001580114304 1165507874 /nfs/dbraw/zinc/50/78/74/1165507874.db2.gz GVFQLBCFMNXHGS-UHFFFAOYSA-N -2 3 313.277 0.623 20 0 DCADHL COc1ncc(NC(=O)C2=C([O-])C(C)N=N2)cc1-c1nn[n-]n1 ZINC001580138651 1165515782 /nfs/dbraw/zinc/51/57/82/1165515782.db2.gz MWWMOCCJERITOV-UHFFFAOYSA-N -2 3 316.281 0.260 20 0 DCADHL CC(C)[C@@H](CO)O[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001589459756 1166659850 /nfs/dbraw/zinc/65/98/50/1166659850.db2.gz JVSMQVZFAYXIKY-GFCCVEGCSA-N -2 3 321.337 0.310 20 0 DCADHL CC1(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590153355 1166790331 /nfs/dbraw/zinc/79/03/31/1166790331.db2.gz SXPKQKUVHXXQIP-UHFFFAOYSA-N -2 3 307.335 0.479 20 0 DCADHL CC1(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590153355 1166790334 /nfs/dbraw/zinc/79/03/34/1166790334.db2.gz SXPKQKUVHXXQIP-UHFFFAOYSA-N -2 3 307.335 0.479 20 0 DCADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590214832 1166816265 /nfs/dbraw/zinc/81/62/65/1166816265.db2.gz DPOJAQJINAMMFK-LDYMZIIASA-N -2 3 321.362 0.469 20 0 DCADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590214832 1166816269 /nfs/dbraw/zinc/81/62/69/1166816269.db2.gz DPOJAQJINAMMFK-LDYMZIIASA-N -2 3 321.362 0.469 20 0 DCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590224898 1166820757 /nfs/dbraw/zinc/82/07/57/1166820757.db2.gz AAMWZIBIAZNSCE-YUMQZZPRSA-N -2 3 304.310 0.520 20 0 DCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590224898 1166820763 /nfs/dbraw/zinc/82/07/63/1166820763.db2.gz AAMWZIBIAZNSCE-YUMQZZPRSA-N -2 3 304.310 0.520 20 0 DCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590224897 1166821426 /nfs/dbraw/zinc/82/14/26/1166821426.db2.gz AAMWZIBIAZNSCE-SFYZADRCSA-N -2 3 304.310 0.520 20 0 DCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590224897 1166821430 /nfs/dbraw/zinc/82/14/30/1166821430.db2.gz AAMWZIBIAZNSCE-SFYZADRCSA-N -2 3 304.310 0.520 20 0 DCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C(=O)[O-] ZINC001590267243 1166831541 /nfs/dbraw/zinc/83/15/41/1166831541.db2.gz MRGIDXMOWPVYDK-SFYZADRCSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C(=O)[O-] ZINC001590267243 1166831547 /nfs/dbraw/zinc/83/15/47/1166831547.db2.gz MRGIDXMOWPVYDK-SFYZADRCSA-N -2 3 304.310 0.378 20 0 DCADHL CCCC(=O)NCC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590536691 1166939813 /nfs/dbraw/zinc/93/98/13/1166939813.db2.gz UYDNNJWHGWEJJE-UHFFFAOYSA-N -2 3 304.310 0.193 20 0 DCADHL CCCC(=O)NCC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590536691 1166939816 /nfs/dbraw/zinc/93/98/16/1166939816.db2.gz UYDNNJWHGWEJJE-UHFFFAOYSA-N -2 3 304.310 0.193 20 0 DCADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590548941 1166941456 /nfs/dbraw/zinc/94/14/56/1166941456.db2.gz ZMIWQIQPNZJBHW-MRVPVSSYSA-N -2 3 324.366 0.503 20 0 DCADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590548941 1166941459 /nfs/dbraw/zinc/94/14/59/1166941459.db2.gz ZMIWQIQPNZJBHW-MRVPVSSYSA-N -2 3 324.366 0.503 20 0 DCADHL COCc1cc(=O)n(-c2cc(-c3nnn[n-]3)cc(Cl)n2)[n-]1 ZINC001591392191 1167259897 /nfs/dbraw/zinc/25/98/97/1167259897.db2.gz INTPPIOANXXDGW-UHFFFAOYSA-N -2 3 307.701 0.654 20 0 DCADHL COCc1cc(=O)n(-c2cc(-c3nn[n-]n3)cc(Cl)n2)[n-]1 ZINC001591392191 1167259901 /nfs/dbraw/zinc/25/99/01/1167259901.db2.gz INTPPIOANXXDGW-UHFFFAOYSA-N -2 3 307.701 0.654 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001591467434 1167300223 /nfs/dbraw/zinc/30/02/23/1167300223.db2.gz OMPUMDBYCZCDNX-UHFFFAOYSA-N -2 3 320.309 0.270 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001591467434 1167300224 /nfs/dbraw/zinc/30/02/24/1167300224.db2.gz OMPUMDBYCZCDNX-UHFFFAOYSA-N -2 3 320.309 0.270 20 0 DCADHL Cc1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592025873 1167439796 /nfs/dbraw/zinc/43/97/96/1167439796.db2.gz RYDXPDGXDRKNIY-ZDUSSCGKSA-N -2 3 320.309 0.132 20 0 DCADHL Cc1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592025873 1167439800 /nfs/dbraw/zinc/43/98/00/1167439800.db2.gz RYDXPDGXDRKNIY-ZDUSSCGKSA-N -2 3 320.309 0.132 20 0 DCADHL Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)ccc1-c1nn[n-]n1 ZINC001592381375 1167509697 /nfs/dbraw/zinc/50/96/97/1167509697.db2.gz ZKTAUQXROMIBLD-SZEHBUNVSA-N -2 3 304.310 0.206 20 0 DCADHL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC001592435961 1167523695 /nfs/dbraw/zinc/52/36/95/1167523695.db2.gz IWTYDFRSOYSIQP-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cn1[n-]c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1=O ZINC001592593978 1167576887 /nfs/dbraw/zinc/57/68/87/1167576887.db2.gz TURUEFZCZGDUGQ-UHFFFAOYSA-N -2 3 303.257 0.697 20 0 DCADHL Cn1[n-]c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1=O ZINC001592593978 1167576892 /nfs/dbraw/zinc/57/68/92/1167576892.db2.gz TURUEFZCZGDUGQ-UHFFFAOYSA-N -2 3 303.257 0.697 20 0 DCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(F)cc(F)c1[O-] ZINC001592752726 1167632332 /nfs/dbraw/zinc/63/23/32/1167632332.db2.gz AHGNHHUDYCSXFP-UHFFFAOYSA-N -2 3 307.220 0.318 20 0 DCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)cc(F)c1[O-] ZINC001592752726 1167632336 /nfs/dbraw/zinc/63/23/36/1167632336.db2.gz AHGNHHUDYCSXFP-UHFFFAOYSA-N -2 3 307.220 0.318 20 0 DCADHL Cc1ccc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])nc1 ZINC001600408418 1168180142 /nfs/dbraw/zinc/18/01/42/1168180142.db2.gz MNRODPREWUYILU-UHFFFAOYSA-N -2 3 310.335 0.332 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)nn1 ZINC001600482941 1168190732 /nfs/dbraw/zinc/19/07/32/1168190732.db2.gz PDTVPRVOOMJLFD-DBIOUOCHSA-N -2 3 311.363 0.563 20 0 DCADHL Cc1nc(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)no1 ZINC001600704404 1168257650 /nfs/dbraw/zinc/25/76/50/1168257650.db2.gz MIYUZKAJLBLTIL-VIFPVBQESA-N -2 3 317.348 0.685 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC001600733685 1168265885 /nfs/dbraw/zinc/26/58/85/1168265885.db2.gz WGKLUUJKTLJYEQ-CMPLNLGQSA-N -2 3 323.349 0.277 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-] ZINC001600772627 1168286290 /nfs/dbraw/zinc/28/62/90/1168286290.db2.gz MJOYHINOSKZXAW-SFYZADRCSA-N -2 3 321.786 0.914 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)/C=C/C(=O)[O-] ZINC001600772176 1168286919 /nfs/dbraw/zinc/28/69/19/1168286919.db2.gz BJSZKEYNSXXHBV-OVCGOVNKSA-N -2 3 307.759 0.690 20 0 DCADHL Cn1c(C(=O)[O-])ccc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001600903218 1168501626 /nfs/dbraw/zinc/50/16/26/1168501626.db2.gz SZTUYJGJDWTDHY-UHFFFAOYSA-N -2 3 318.337 0.331 20 0 DCADHL Cn1c(C(=O)[O-])ccc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001600903218 1168501631 /nfs/dbraw/zinc/50/16/31/1168501631.db2.gz SZTUYJGJDWTDHY-UHFFFAOYSA-N -2 3 318.337 0.331 20 0 DCADHL O=C([O-])[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccnc1F ZINC001601642725 1168799989 /nfs/dbraw/zinc/79/99/89/1168799989.db2.gz SYNMCKUWJKMBIA-RKDXNWHRSA-N -2 3 318.326 0.521 20 0 DCADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)[C@@H]1CCOC1 ZINC001601650780 1168802819 /nfs/dbraw/zinc/80/28/19/1168802819.db2.gz FPQBMFHEHXGKFQ-RQJHMYQMSA-N -2 3 323.758 0.079 20 0 DCADHL O=C([O-])C[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC001601893492 1168926770 /nfs/dbraw/zinc/92/67/70/1168926770.db2.gz BUUBNHVTHBUOJK-JTQLQIEISA-N -2 3 316.313 0.801 20 0 DCADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC001601923339 1168935449 /nfs/dbraw/zinc/93/54/49/1168935449.db2.gz ZTSXJFBUFDOOEG-UHFFFAOYSA-N -3 3 317.319 0.901 20 0 DCADHL O=C([O-])C[C@]1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCOC1 ZINC001601930590 1168938096 /nfs/dbraw/zinc/93/80/96/1168938096.db2.gz ZVNXJDGYSVTEHL-CQSZACIVSA-N -2 3 307.306 0.423 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001602193967 1169023306 /nfs/dbraw/zinc/02/33/06/1169023306.db2.gz AUUJHXPUWPXPSB-DTWKUNHWSA-N -2 3 322.283 0.624 20 0 DCADHL O=C([O-])c1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)ccn1 ZINC001602243273 1169039675 /nfs/dbraw/zinc/03/96/75/1169039675.db2.gz WWMPPIIJNKSPIF-SECBINFHSA-N -2 3 302.290 0.838 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(CCF)C2)o1 ZINC001602396932 1169069597 /nfs/dbraw/zinc/06/95/97/1169069597.db2.gz FFQRYRAXFKGQNA-VIFPVBQESA-N -2 3 320.342 0.690 20 0 DCADHL O=C([O-])c1ccccc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001602464807 1169082310 /nfs/dbraw/zinc/08/23/10/1169082310.db2.gz HWMWMYXFXYJEAL-UHFFFAOYSA-N -2 3 315.333 0.993 20 0 DCADHL O=C([O-])c1ccccc1C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001602464807 1169082323 /nfs/dbraw/zinc/08/23/23/1169082323.db2.gz HWMWMYXFXYJEAL-UHFFFAOYSA-N -2 3 315.333 0.993 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@@H](O)C1CCCC1 ZINC001602506652 1169101786 /nfs/dbraw/zinc/10/17/86/1169101786.db2.gz JOZJLRMAQXIBPQ-SNVBAGLBSA-N -2 3 317.367 0.327 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](CO)C[C@@H]2CCCO2)c1 ZINC001602556010 1169116890 /nfs/dbraw/zinc/11/68/90/1169116890.db2.gz BVCGCSXQALIXQG-UWVGGRQHSA-N -2 3 319.335 0.186 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC001602583850 1169125575 /nfs/dbraw/zinc/12/55/75/1169125575.db2.gz SILURQBDTPVYMP-SSDOTTSWSA-N -2 3 306.365 0.281 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001602583882 1169125955 /nfs/dbraw/zinc/12/59/55/1169125955.db2.gz UIBWGLAUOVBMIN-PHDIDXHHSA-N -3 3 318.332 0.149 20 0 DCADHL C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](C(=O)[O-])C1 ZINC001603166821 1169263465 /nfs/dbraw/zinc/26/34/65/1169263465.db2.gz OHFWBVVSVBQFRC-ZWNOBZJWSA-N -2 3 320.345 0.796 20 0 DCADHL C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604244675 1169531362 /nfs/dbraw/zinc/53/13/62/1169531362.db2.gz YUWIQLOHFLSDSL-MRVPVSSYSA-N -2 3 313.335 0.621 20 0 DCADHL CC[C@](C)([N-]S(=O)(=O)c1c(C)nn2cccnc12)C(=O)[O-] ZINC001604913507 1169741059 /nfs/dbraw/zinc/74/10/59/1169741059.db2.gz AMAWLLRJSODWLT-LBPRGKRZSA-N -2 3 312.351 0.569 20 0 DCADHL CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001604946791 1169759118 /nfs/dbraw/zinc/75/91/18/1169759118.db2.gz OZQCZDICHUNIRS-OIBJUYFYSA-N -2 3 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308.337 0.071 20 0 DCADHL CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833424189 605050142 /nfs/dbraw/zinc/05/01/42/605050142.db2.gz LSRBPSRQULVWKQ-SSDOTTSWSA-N -2 3 322.408 0.917 20 0 DCADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)NC(=O)[O-] ZINC000824124129 605183194 /nfs/dbraw/zinc/18/31/94/605183194.db2.gz VVHMBGHNRBKQNG-ZETCQYMHSA-N -2 3 324.790 0.644 20 0 DCADHL C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000833827817 605901690 /nfs/dbraw/zinc/90/16/90/605901690.db2.gz BALMINMCJHLGQY-NXEZZACHSA-N -2 3 305.338 0.501 20 0 DCADHL COCCO[N-]C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821692805 606367444 /nfs/dbraw/zinc/36/74/44/606367444.db2.gz CNGFTBVXXVSUNS-UHFFFAOYSA-N -2 3 309.351 0.653 20 0 DCADHL COCCO[N-]C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821692805 606367446 /nfs/dbraw/zinc/36/74/46/606367446.db2.gz CNGFTBVXXVSUNS-UHFFFAOYSA-N -2 3 309.351 0.653 20 0 DCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819865039 606394679 /nfs/dbraw/zinc/39/46/79/606394679.db2.gz CHUKSQUYKUTDSR-MRVPVSSYSA-N -2 3 321.362 0.718 20 0 DCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819865039 606394681 /nfs/dbraw/zinc/39/46/81/606394681.db2.gz CHUKSQUYKUTDSR-MRVPVSSYSA-N -2 3 321.362 0.718 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(C)CC1 ZINC000822222649 606761651 /nfs/dbraw/zinc/76/16/51/606761651.db2.gz OTNYKJMDPYQMHJ-UHFFFAOYSA-N -2 3 321.362 0.780 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(C)CC1 ZINC000822222649 606761652 /nfs/dbraw/zinc/76/16/52/606761652.db2.gz OTNYKJMDPYQMHJ-UHFFFAOYSA-N -2 3 321.362 0.780 20 0 DCADHL CC(C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000819988104 607102328 /nfs/dbraw/zinc/10/23/28/607102328.db2.gz SWVKNTWZVRNITI-UHFFFAOYSA-N -2 3 305.294 0.225 20 0 DCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000825074074 608144540 /nfs/dbraw/zinc/14/45/40/608144540.db2.gz FEEBQRIWHGDFLD-ZCFIWIBFSA-N -2 3 315.380 0.786 20 0 DCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000825074074 608144541 /nfs/dbraw/zinc/14/45/41/608144541.db2.gz FEEBQRIWHGDFLD-ZCFIWIBFSA-N -2 3 315.380 0.786 20 0 DCADHL CS(=O)(=O)[N-]c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826223966 609274290 /nfs/dbraw/zinc/27/42/90/609274290.db2.gz JDKXRTRJMYGVNM-UHFFFAOYSA-N -2 3 323.313 0.563 20 0 DCADHL CS(=O)(=O)[N-]c1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826223966 609274292 /nfs/dbraw/zinc/27/42/92/609274292.db2.gz JDKXRTRJMYGVNM-UHFFFAOYSA-N -2 3 323.313 0.563 20 0 DCADHL COCC[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000052785745 657975327 /nfs/dbraw/zinc/97/53/27/657975327.db2.gz DBXMZUQNAXXFSG-SSDOTTSWSA-N -2 3 308.743 0.503 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-] ZINC000170306742 662654553 /nfs/dbraw/zinc/65/45/53/662654553.db2.gz KKUKOIBSSUCFMX-NSHDSACASA-N -2 3 306.340 0.043 20 0 DCADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000863407268 667140061 /nfs/dbraw/zinc/14/00/61/667140061.db2.gz GAAHVPMJVQXHBQ-QMMMGPOBSA-N -2 3 324.717 0.585 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCOCC2)s1 ZINC000776528377 668877093 /nfs/dbraw/zinc/87/70/93/668877093.db2.gz XUHZLLONSMLLDM-SNVBAGLBSA-N -2 3 320.392 0.610 20 0 DCADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776636256 668879717 /nfs/dbraw/zinc/87/97/17/668879717.db2.gz XCQWDQJKAWNGDE-LURJTMIESA-N -3 3 322.726 0.189 20 0 DCADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)[N-]OCCO ZINC000787293235 669365699 /nfs/dbraw/zinc/36/56/99/669365699.db2.gz LHECSZITZBLOAK-UHFFFAOYSA-N -2 3 309.347 0.115 20 0 DCADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000882710027 669571825 /nfs/dbraw/zinc/57/18/25/669571825.db2.gz UNUXEKZHNWWMQN-SFHVURJKSA-N -2 3 311.360 0.762 20 0 DCADHL COc1ccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC000857223870 670897943 /nfs/dbraw/zinc/89/79/43/670897943.db2.gz TXRJSUQNMPWDDY-MGPLVRAMSA-N -2 3 321.329 0.964 20 0 DCADHL CCOC(=O)c1cc(NC(=O)[C@@H]2CSCN2C(=O)[O-])[n-]n1 ZINC001573794504 1163557240 /nfs/dbraw/zinc/55/72/40/1163557240.db2.gz ZKEZRSNQAMRPGL-ZETCQYMHSA-N -2 3 314.323 0.578 20 0 DCADHL CCOC(=O)c1cc(NC(=O)[C@@H]2CSCN2C(=O)[O-])n[n-]1 ZINC001573794504 1163557246 /nfs/dbraw/zinc/55/72/46/1163557246.db2.gz ZKEZRSNQAMRPGL-ZETCQYMHSA-N -2 3 314.323 0.578 20 0 DCADHL CS(C)(=O)=NS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-] ZINC001574097070 1163633956 /nfs/dbraw/zinc/63/39/56/1163633956.db2.gz HCHPDNZQVPUCEX-SNVBAGLBSA-N -2 3 320.392 0.244 20 0 DCADHL O=C([O-])C1=CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574351846 1163702115 /nfs/dbraw/zinc/70/21/15/1163702115.db2.gz MTRXQEHPNXTDOA-SECBINFHSA-N -2 3 300.278 0.165 20 0 DCADHL O=C([O-])C1=CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574351846 1163702121 /nfs/dbraw/zinc/70/21/21/1163702121.db2.gz MTRXQEHPNXTDOA-SECBINFHSA-N -2 3 300.278 0.165 20 0 DCADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)NCCc1n[n-]c(=S)o1 ZINC001580463814 1165611226 /nfs/dbraw/zinc/61/12/26/1165611226.db2.gz VJNRWQSEPAVFFR-UHFFFAOYSA-N -2 3 320.338 0.147 20 0 DCADHL C[C@H](C(=O)Nc1cccc(F)c1[O-])n1cnc(-c2nnn[n-]2)n1 ZINC001589018576 1166628499 /nfs/dbraw/zinc/62/84/99/1166628499.db2.gz HYIGFPBYKGLLSV-ZCFIWIBFSA-N -2 3 318.272 0.503 20 0 DCADHL C[C@H](C(=O)Nc1cccc(F)c1[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001589018576 1166628505 /nfs/dbraw/zinc/62/85/05/1166628505.db2.gz HYIGFPBYKGLLSV-ZCFIWIBFSA-N -2 3 318.272 0.503 20 0 DCADHL CC1(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001590123551 1166782307 /nfs/dbraw/zinc/78/23/07/1166782307.db2.gz PSJKPXKJQKAFJG-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL CC1(CC(=O)[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001590123551 1166782319 /nfs/dbraw/zinc/78/23/19/1166782319.db2.gz PSJKPXKJQKAFJG-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL COC(=O)C1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591243139 1167171885 /nfs/dbraw/zinc/17/18/85/1167171885.db2.gz UWVVGHZXGVRGBX-UHFFFAOYSA-N -2 3 303.278 0.230 20 0 DCADHL COC(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591243139 1167171902 /nfs/dbraw/zinc/17/19/02/1167171902.db2.gz UWVVGHZXGVRGBX-UHFFFAOYSA-N -2 3 303.278 0.230 20 0 DCADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001591279703 1167198557 /nfs/dbraw/zinc/19/85/57/1167198557.db2.gz RMFGCAMDGWUMML-VHSXEESVSA-N -2 3 303.278 0.086 20 0 DCADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001591279703 1167198559 /nfs/dbraw/zinc/19/85/59/1167198559.db2.gz RMFGCAMDGWUMML-VHSXEESVSA-N -2 3 303.278 0.086 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC001591495050 1167315226 /nfs/dbraw/zinc/31/52/26/1167315226.db2.gz NOOKTPCFQOJTHD-UHFFFAOYSA-N -2 3 321.322 0.399 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2)ccc1-c1nnn[n-]1 ZINC001592067288 1167449205 /nfs/dbraw/zinc/44/92/05/1167449205.db2.gz CCTLDFLRMOVVNI-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2)ccc1-c1nn[n-]n1 ZINC001592067288 1167449208 /nfs/dbraw/zinc/44/92/08/1167449208.db2.gz CCTLDFLRMOVVNI-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cncc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001592300703 1167484713 /nfs/dbraw/zinc/48/47/13/1167484713.db2.gz YYCNRVJRAMQAIK-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cncc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001592300703 1167484717 /nfs/dbraw/zinc/48/47/17/1167484717.db2.gz YYCNRVJRAMQAIK-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1[nH]nc(NC(=O)c2ccc(F)cc2[O-])c1-c1nnn[n-]1 ZINC001592333066 1167491009 /nfs/dbraw/zinc/49/10/09/1167491009.db2.gz ZVZIDNNJSKHVCP-UHFFFAOYSA-N -2 3 303.257 0.995 20 0 DCADHL Cc1[nH]nc(NC(=O)c2ccc(F)cc2[O-])c1-c1nn[n-]n1 ZINC001592333066 1167491012 /nfs/dbraw/zinc/49/10/12/1167491012.db2.gz ZVZIDNNJSKHVCP-UHFFFAOYSA-N -2 3 303.257 0.995 20 0 DCADHL Nc1c(NC(=O)c2ccc([O-])cn2)ccc(F)c1-c1nnn[n-]1 ZINC001592755853 1167633593 /nfs/dbraw/zinc/63/35/93/1167633593.db2.gz ANUKWSSZAHPTCN-UHFFFAOYSA-N -2 3 315.268 0.941 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CC1)c1csc(-c2nnn[n-]2)c1 ZINC001593172261 1167730859 /nfs/dbraw/zinc/73/08/59/1167730859.db2.gz GVAPHWQOMHCZCB-UHFFFAOYSA-N -2 3 313.364 0.398 20 0 DCADHL O=C([O-])[C@H]1CN(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)CCO1 ZINC001593276894 1167753289 /nfs/dbraw/zinc/75/32/89/1167753289.db2.gz QTTQUWJQALWFRN-LLVKDONJSA-N -2 3 323.740 0.806 20 0 DCADHL O=C([O-])[C@H]1CN(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)CCO1 ZINC001593276894 1167753292 /nfs/dbraw/zinc/75/32/92/1167753292.db2.gz QTTQUWJQALWFRN-LLVKDONJSA-N -2 3 323.740 0.806 20 0 DCADHL O=C([O-])[C@@H]1CN(c2ncncc2-c2nnn[n-]2)C[C@H]1C1CC1 ZINC001593278782 1167754305 /nfs/dbraw/zinc/75/43/05/1167754305.db2.gz AVVUBVZJZJIAAQ-VHSXEESVSA-N -2 3 301.310 0.204 20 0 DCADHL Cc1cc(C(F)(F)C(=O)[N-][C@H](CO)C(=O)[O-])cnc1Cl ZINC001600142322 1168126788 /nfs/dbraw/zinc/12/67/88/1168126788.db2.gz DGYOTTWZNJCGMY-SSDOTTSWSA-N -2 3 308.668 0.697 20 0 DCADHL Cc1cc(NC(=O)NCCCc2c[n-][nH]c2=O)ncc1C(=O)[O-] ZINC001600269714 1168154463 /nfs/dbraw/zinc/15/44/63/1168154463.db2.gz HIQPWMVUCOLMQD-VIFPVBQESA-N -2 3 319.321 0.722 20 0 DCADHL 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DCADHL O=C(NCC=CCNCc1n[nH]c(=O)[n-]1)c1ccccc1[O-] ZINC001497537789 1018197603 /nfs/dbraw/zinc/19/76/03/1018197603.db2.gz SJSMJLUQQJCZPE-ONEGZZNKSA-N -2 3 303.322 0.292 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)oc1C(=O)[O-] ZINC001607706316 1170498975 /nfs/dbraw/zinc/49/89/75/1170498975.db2.gz ORNFMKJDOIJVLS-SFYZADRCSA-N -3 3 315.303 0.594 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(C)C2=O)oc1C(=O)[O-] ZINC001607706615 1170499445 /nfs/dbraw/zinc/49/94/45/1170499445.db2.gz XRJLLQJEIMCXSU-MRVPVSSYSA-N -2 3 316.335 0.185 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)c1C(=O)[O-] ZINC001607939700 1170529624 /nfs/dbraw/zinc/52/96/24/1170529624.db2.gz FDVLTTUSSNEGGK-JVXZTZIISA-N -2 3 315.351 0.262 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@](C)(C(N)=O)C(C)C)cc1C(=O)[O-] ZINC001608056544 1170561751 /nfs/dbraw/zinc/56/17/51/1170561751.db2.gz PKMXXGSXDRYDFZ-GFCCVEGCSA-N -2 3 318.351 0.465 20 0 DCADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000090263007 185288485 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COC(=O)c1csc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1 ZINC000282912638 217321013 /nfs/dbraw/zinc/32/10/13/217321013.db2.gz SCYWGRYOGRYXON-UHFFFAOYSA-N -2 3 319.360 0.820 20 0 DCADHL CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000035408986 395720614 /nfs/dbraw/zinc/72/06/14/395720614.db2.gz CZPWWTCNOGADRO-SNVBAGLBSA-N -2 3 300.336 0.651 20 0 DCADHL C[C@H](CC(=O)[O-])NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000036981228 395725366 /nfs/dbraw/zinc/72/53/66/395725366.db2.gz OCCQXRVYLRCSHT-MRVPVSSYSA-N -2 3 300.336 0.651 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(F)c1 ZINC000092114541 395729091 /nfs/dbraw/zinc/72/90/91/395729091.db2.gz MTDNADNUFWBYAS-SECBINFHSA-N -2 3 319.310 0.218 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000270531365 395780803 /nfs/dbraw/zinc/78/08/03/395780803.db2.gz UZLBHWADMFWNKV-MRVPVSSYSA-N -2 3 305.308 0.516 20 0 DCADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)nc1C ZINC000050265497 395838086 /nfs/dbraw/zinc/83/80/86/395838086.db2.gz BYKATJFGTASCHD-JTQLQIEISA-N -2 3 303.384 0.989 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCOCC1 ZINC000235190626 395892340 /nfs/dbraw/zinc/89/23/40/395892340.db2.gz UEAHPTYHYYDJGB-SSDOTTSWSA-N -2 3 320.392 0.935 20 0 DCADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000054334100 395898151 /nfs/dbraw/zinc/89/81/51/395898151.db2.gz QTBFEGGPOABGMG-ZCFIWIBFSA-N -2 3 307.349 0.534 20 0 DCADHL C[C@H](CC(=O)[O-])NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000262983630 396196056 /nfs/dbraw/zinc/19/60/56/396196056.db2.gz NJFRJWQWSNUXAN-SFYZADRCSA-N -2 3 320.392 0.394 20 0 DCADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc2n[n-]nc2c1 ZINC000188770798 396385613 /nfs/dbraw/zinc/38/56/13/396385613.db2.gz FSEGWLSYFDZVHT-UHFFFAOYSA-N -2 3 322.288 0.479 20 0 DCADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)cn1C ZINC000560481480 396617179 /nfs/dbraw/zinc/61/71/79/396617179.db2.gz PTGAVSJKTQZFFG-SNVBAGLBSA-N -2 3 301.368 0.685 20 0 DCADHL CCOC[C@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000560480124 396617211 /nfs/dbraw/zinc/61/72/11/396617211.db2.gz PQTVXEIUOZFHGY-VIFPVBQESA-N -2 3 319.383 0.312 20 0 DCADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@H](C)OC ZINC000294221828 396661242 /nfs/dbraw/zinc/66/12/42/396661242.db2.gz NQWGYHFNFWJTHE-QMMMGPOBSA-N -2 3 303.336 0.955 20 0 DCADHL C=CCC[C@H]([N-]S(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000315682669 396790646 /nfs/dbraw/zinc/79/06/46/396790646.db2.gz BNFRLEWOJPNDCP-JTQLQIEISA-N -2 3 301.368 0.909 20 0 DCADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000364422085 397198889 /nfs/dbraw/zinc/19/88/89/397198889.db2.gz RSJHXRFVIPKZJS-SNVBAGLBSA-N -2 3 315.395 0.999 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)CC(=O)[O-] ZINC000232108082 287064501 /nfs/dbraw/zinc/06/45/01/287064501.db2.gz HUSLWDVZBCZJNV-ZETCQYMHSA-N -2 3 309.290 0.733 20 0 DCADHL COCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000044414733 415221600 /nfs/dbraw/zinc/22/16/00/415221600.db2.gz JUJZBWDZFDQGEW-UHFFFAOYSA-N -2 3 309.365 0.388 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccnn2C)ccc1[O-] ZINC000044593927 415226231 /nfs/dbraw/zinc/22/62/31/415226231.db2.gz ZLFPIWUUBXNKIW-UHFFFAOYSA-N -2 3 311.319 0.713 20 0 DCADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cn(C)cn1 ZINC000087673017 415514818 /nfs/dbraw/zinc/51/48/18/415514818.db2.gz LVNUTOACISBWPP-VHSXEESVSA-N -2 3 303.384 0.978 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCCn2cccn2)cc1C(=O)[O-] ZINC000514790199 416676238 /nfs/dbraw/zinc/67/62/38/416676238.db2.gz YDWPKOSGYHUMGF-UHFFFAOYSA-N -2 3 313.335 0.851 20 0 DCADHL CCC(=O)c1ccc([O-])c(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000615110498 416760393 /nfs/dbraw/zinc/76/03/93/416760393.db2.gz IOIPSJAKOGQEQS-VIFPVBQESA-N -2 3 319.317 0.912 20 0 DCADHL Cn1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c(=O)[n-]c1=O ZINC000427980097 416862843 /nfs/dbraw/zinc/86/28/43/416862843.db2.gz RVIBOXXGJOJGLY-UHFFFAOYSA-N -2 3 303.274 0.114 20 0 DCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000568753671 417172928 /nfs/dbraw/zinc/17/29/28/417172928.db2.gz AMKWRQHXKHDMDA-ZCFIWIBFSA-N -2 3 314.323 0.454 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000621894458 417337773 /nfs/dbraw/zinc/33/77/73/417337773.db2.gz PQZCVGQPQQGGQC-UHFFFAOYSA-N -2 3 304.310 0.246 20 0 DCADHL COC[C@@H]([N-]S(=O)(=O)N(C)CCC(=O)[O-])c1ccc(C)o1 ZINC000645971692 417835487 /nfs/dbraw/zinc/83/54/87/417835487.db2.gz UXYLMWFNZYQHFE-SNVBAGLBSA-N -2 3 320.367 0.516 20 0 DCADHL CCO[C@H](CS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1)C1CC1 ZINC000629303690 417775901 /nfs/dbraw/zinc/77/59/01/417775901.db2.gz AJWKPYHXZKGTFM-DGCLKSJQSA-N -2 3 321.395 0.355 20 0 DCADHL C[C@@H](NC(=O)c1c[n-]nn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202131 417806657 /nfs/dbraw/zinc/80/66/57/417806657.db2.gz IXPPBZJIIBXRRO-JGVFFNPUSA-N -2 3 304.310 0.298 20 0 DCADHL C[C@@H](NC(=O)c1cnn[n-]1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202131 417806667 /nfs/dbraw/zinc/80/66/67/417806667.db2.gz IXPPBZJIIBXRRO-JGVFFNPUSA-N -2 3 304.310 0.298 20 0 DCADHL CCc1nc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])cn1CC1CC1 ZINC000663251656 418004348 /nfs/dbraw/zinc/00/43/48/418004348.db2.gz PRLZVOHTACAKPP-VIFPVBQESA-N -2 3 315.395 0.997 20 0 DCADHL CC[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000649262021 418215947 /nfs/dbraw/zinc/21/59/47/418215947.db2.gz YMGURBGILCXHBU-QMMMGPOBSA-N -2 3 320.392 0.253 20 0 DCADHL C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000650447858 418311558 /nfs/dbraw/zinc/31/15/58/418311558.db2.gz YKYDGWPTGZJZEK-ZETCQYMHSA-N -2 3 303.340 0.201 20 0 DCADHL C[C@H](COCC1CC1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000650447394 418311735 /nfs/dbraw/zinc/31/17/35/418311735.db2.gz DTFMDONWLWMPTC-SSDOTTSWSA-N -2 3 320.392 0.935 20 0 DCADHL C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-] ZINC000655560227 418276237 /nfs/dbraw/zinc/27/62/37/418276237.db2.gz RVCXADLOMSEHAV-JQWIXIFHSA-N -2 3 320.345 0.834 20 0 DCADHL CCn1cc(C[N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])nn1 ZINC000656720536 418372769 /nfs/dbraw/zinc/37/27/69/418372769.db2.gz ACFGYWAKIWOTPG-UHFFFAOYSA-N -2 3 324.362 0.783 20 0 DCADHL CCn1cc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])nc1C ZINC000656725041 418373224 /nfs/dbraw/zinc/37/32/24/418373224.db2.gz SDYSOHNBLZBXHJ-LLVKDONJSA-N -2 3 307.347 0.693 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000656725757 418373419 /nfs/dbraw/zinc/37/34/19/418373419.db2.gz QIIMFXIOCPQWMB-SNVBAGLBSA-N -2 3 301.368 0.682 20 0 DCADHL CCCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000315715654 261174247 /nfs/dbraw/zinc/17/42/47/261174247.db2.gz HLTMKKYTGDVLLI-UHFFFAOYSA-N -2 3 305.290 0.899 20 0 DCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000547616742 288062904 /nfs/dbraw/zinc/06/29/04/288062904.db2.gz BXTNFYBDERLLMK-SNVBAGLBSA-N -2 3 304.299 0.321 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000547893531 288089360 /nfs/dbraw/zinc/08/93/60/288089360.db2.gz MWDXXBJKGJIYFK-VIFPVBQESA-N -2 3 311.718 0.857 20 0 DCADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])c1 ZINC000548551813 288153458 /nfs/dbraw/zinc/15/34/58/288153458.db2.gz OUZUTFDPBAFQRD-VIFPVBQESA-N -2 3 323.754 0.727 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)[O-] ZINC000548556015 288153992 /nfs/dbraw/zinc/15/39/92/288153992.db2.gz SRZHOPXFYWHAGO-VIFPVBQESA-N -2 3 323.754 0.727 20 0 DCADHL C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000263576937 298209844 /nfs/dbraw/zinc/20/98/44/298209844.db2.gz QYIPMAPQKNKDGV-ZYHUDNBSSA-N -2 3 320.345 0.928 20 0 DCADHL C[C@@]1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC000397241126 333360909 /nfs/dbraw/zinc/36/09/09/333360909.db2.gz RMKJASUKKRGOAB-JTQLQIEISA-N -2 3 306.365 0.546 20 0 DCADHL COC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCCC1 ZINC000570960539 333466672 /nfs/dbraw/zinc/46/66/72/333466672.db2.gz XZOBNDNHKRMUTD-UHFFFAOYSA-N -2 3 317.367 0.736 20 0 DCADHL CCn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)nc1C ZINC000399224361 337314374 /nfs/dbraw/zinc/31/43/74/337314374.db2.gz WNVDYENXBVOBDK-NSHDSACASA-N -2 3 301.368 0.743 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000576461816 341847535 /nfs/dbraw/zinc/84/75/35/341847535.db2.gz LXGBACPXLDHEGQ-LBPRGKRZSA-N -2 3 323.374 0.642 20 0 DCADHL CSC[C@@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001607395383 1159797312 /nfs/dbraw/zinc/79/73/12/1159797312.db2.gz YYOPXSVPZRFARX-MRVPVSSYSA-N -2 3 309.365 0.370 20 0 DCADHL O=C([O-])CCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000227941644 527588876 /nfs/dbraw/zinc/58/88/76/527588876.db2.gz VNLXDMJWPQNVNH-SECBINFHSA-N -3 3 319.310 0.812 20 0 DCADHL CC(C)(CC[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000424391736 535040671 /nfs/dbraw/zinc/04/06/71/535040671.db2.gz NOVZBSBFGWSQIK-UHFFFAOYSA-N -2 3 315.395 0.999 20 0 DCADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000672770963 547405560 /nfs/dbraw/zinc/40/55/60/547405560.db2.gz UVEULVIZGKCXGY-CYBMUJFWSA-N -2 3 323.312 0.994 20 0 DCADHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000672770963 547405562 /nfs/dbraw/zinc/40/55/62/547405562.db2.gz UVEULVIZGKCXGY-CYBMUJFWSA-N -2 3 323.312 0.994 20 0 DCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)CC1CC1 ZINC000737962987 598857317 /nfs/dbraw/zinc/85/73/17/598857317.db2.gz PXYLKWWFWMRGIG-UHFFFAOYSA-N -2 3 321.362 0.265 20 0 DCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CC1CC1 ZINC000737962987 598857318 /nfs/dbraw/zinc/85/73/18/598857318.db2.gz PXYLKWWFWMRGIG-UHFFFAOYSA-N -2 3 321.362 0.265 20 0 DCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC(=O)[O-] ZINC000736184560 599220010 /nfs/dbraw/zinc/22/00/10/599220010.db2.gz LTTJDTNIWUYIQV-VIFPVBQESA-N -2 3 319.321 0.615 20 0 DCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC(=O)[O-] ZINC000736184560 599220013 /nfs/dbraw/zinc/22/00/13/599220013.db2.gz LTTJDTNIWUYIQV-VIFPVBQESA-N -2 3 319.321 0.615 20 0 DCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CC(=O)[O-] ZINC000736184158 599220063 /nfs/dbraw/zinc/22/00/63/599220063.db2.gz WHSKYWZOXMPSCN-QMMMGPOBSA-N -2 3 305.294 0.177 20 0 DCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CC(=O)[O-] ZINC000736184158 599220066 /nfs/dbraw/zinc/22/00/66/599220066.db2.gz WHSKYWZOXMPSCN-QMMMGPOBSA-N -2 3 305.294 0.177 20 0 DCADHL CC(C)(CCC(=O)[O-])NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000817836499 596965537 /nfs/dbraw/zinc/96/55/37/596965537.db2.gz YIZGTOFEJQAEBD-UHFFFAOYSA-N -2 3 304.302 0.943 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nncs1 ZINC000822152964 607319528 /nfs/dbraw/zinc/31/95/28/607319528.db2.gz JWCPFHRMXCYFHQ-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nncs1 ZINC000822152964 607319529 /nfs/dbraw/zinc/31/95/29/607319529.db2.gz JWCPFHRMXCYFHQ-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL COC(=O)CCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737596361 599771983 /nfs/dbraw/zinc/77/19/83/599771983.db2.gz PUMHUUOUJXSSPV-UHFFFAOYSA-N -2 3 319.335 0.990 20 0 DCADHL O=C([O-])NCCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000739940358 599783842 /nfs/dbraw/zinc/78/38/42/599783842.db2.gz TVWLALDVSNIACR-UHFFFAOYSA-N -2 3 321.333 0.334 20 0 DCADHL O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000739544450 600159370 /nfs/dbraw/zinc/15/93/70/600159370.db2.gz HZMAQIVLTSJYEY-RYUDHWBXSA-N -2 3 318.329 0.397 20 0 DCADHL O=C([O-])Cc1nc([N-]C(=O)c2cnn(-c3ccccc3)n2)n[nH]1 ZINC000739899403 600182238 /nfs/dbraw/zinc/18/22/38/600182238.db2.gz MPZGRBKGBGUGSL-UHFFFAOYSA-N -2 3 313.277 0.265 20 0 DCADHL O=C([O-])[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000136158211 600362321 /nfs/dbraw/zinc/36/23/21/600362321.db2.gz XOGDFAGWHXPJJI-VIFPVBQESA-N -2 3 301.302 0.860 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(C)C2)cc1C(=O)[O-] ZINC000833028992 601217879 /nfs/dbraw/zinc/21/78/79/601217879.db2.gz VNKXSCHRPIWHDY-SECBINFHSA-N -2 3 302.352 0.659 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1 ZINC000833014035 601389704 /nfs/dbraw/zinc/38/97/04/601389704.db2.gz HUOKPIYHVLKKMY-SSDOTTSWSA-N -2 3 307.759 0.523 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000831077842 601784694 /nfs/dbraw/zinc/78/46/94/601784694.db2.gz CPVNZBSKZWIEPX-MWLCHTKSSA-N -2 3 315.347 0.541 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833090045 602050701 /nfs/dbraw/zinc/05/07/01/602050701.db2.gz ORZILGVGISVEJL-YUMQZZPRSA-N -2 3 324.337 0.623 20 0 DCADHL C[C@@H](CS(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1)C(=O)[O-] ZINC000827572065 602121866 /nfs/dbraw/zinc/12/18/66/602121866.db2.gz XTRMGXMHRKELNZ-ZETCQYMHSA-N -2 3 321.424 0.976 20 0 DCADHL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000826125366 603578420 /nfs/dbraw/zinc/57/84/20/603578420.db2.gz HHKASEZVTKXXAF-VXNVDRBHSA-N -2 3 306.326 0.642 20 0 DCADHL Cc1nc(C)c(CCC(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)c(=O)[n-]1 ZINC000830715360 603695347 /nfs/dbraw/zinc/69/53/47/603695347.db2.gz AVDYWLNKADCOCD-NSHDSACASA-N -2 3 322.365 0.942 20 0 DCADHL O=C([O-])N1CC[C@@](F)(C(=O)Nc2n[n-]c(-c3ccccn3)n2)C1 ZINC000831908929 603848057 /nfs/dbraw/zinc/84/80/57/603848057.db2.gz VPBLTNIEKMSWIF-ZDUSSCGKSA-N -2 3 320.284 0.897 20 0 DCADHL CCC(CC)(CNC(=O)c1[nH]c(=O)[n-]c(=O)c1N)NC(=O)[O-] ZINC000826548458 603873367 /nfs/dbraw/zinc/87/33/67/603873367.db2.gz ZCJSBGNCTBYCQH-UHFFFAOYSA-N -2 3 313.314 0.026 20 0 DCADHL O=C([O-])N1CCC(C(=O)Nc2n[n-]c(SCCO)n2)CC1 ZINC000831810303 604935812 /nfs/dbraw/zinc/93/58/12/604935812.db2.gz LQJCUZPGTQTZGF-UHFFFAOYSA-N -2 3 315.355 0.218 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC000833649234 605012648 /nfs/dbraw/zinc/01/26/48/605012648.db2.gz GSWRNACTVHWJSC-SSDOTTSWSA-N -2 3 305.308 0.598 20 0 DCADHL O=C([O-])N1CC(OCCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000833993865 605305788 /nfs/dbraw/zinc/30/57/88/605305788.db2.gz JMHFENLKPVKBSK-UHFFFAOYSA-N -2 3 321.293 0.772 20 0 DCADHL C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833635434 605413503 /nfs/dbraw/zinc/41/35/03/605413503.db2.gz VTOXZWBHKPMWNQ-LDWIPMOCSA-N -2 3 306.365 0.687 20 0 DCADHL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000834169157 605833890 /nfs/dbraw/zinc/83/38/90/605833890.db2.gz SDJMHWPGNZYOSP-NXEZZACHSA-N -2 3 320.349 0.893 20 0 DCADHL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000834171858 605835325 /nfs/dbraw/zinc/83/53/25/605835325.db2.gz GWQFPSAUEKIHFI-LDYMZIIASA-N -2 3 306.322 0.503 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1sccc1-c1nnn[n-]1 ZINC000823197267 606290695 /nfs/dbraw/zinc/29/06/95/606290695.db2.gz OLTYHRCEUNTZGN-UHFFFAOYSA-N -2 3 320.338 0.115 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1sccc1-c1nn[n-]n1 ZINC000823197267 606290697 /nfs/dbraw/zinc/29/06/97/606290697.db2.gz OLTYHRCEUNTZGN-UHFFFAOYSA-N -2 3 320.338 0.115 20 0 DCADHL C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820314892 607109871 /nfs/dbraw/zinc/10/98/71/607109871.db2.gz LRFFZPHKHPAWDU-HTQZYQBOSA-N -2 3 305.294 0.223 20 0 DCADHL C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820314892 607109874 /nfs/dbraw/zinc/10/98/74/607109874.db2.gz LRFFZPHKHPAWDU-HTQZYQBOSA-N -2 3 305.294 0.223 20 0 DCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824795970 607806160 /nfs/dbraw/zinc/80/61/60/607806160.db2.gz KDWPOOLEYKMCME-SNVBAGLBSA-N -2 3 321.362 0.718 20 0 DCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824795970 607806161 /nfs/dbraw/zinc/80/61/61/607806161.db2.gz KDWPOOLEYKMCME-SNVBAGLBSA-N -2 3 321.362 0.718 20 0 DCADHL CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000971107412 658278674 /nfs/dbraw/zinc/27/86/74/658278674.db2.gz CUXWNOGYSANKBH-JTQLQIEISA-N -2 3 317.349 0.562 20 0 DCADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])cc1F ZINC000926453619 658847258 /nfs/dbraw/zinc/84/72/58/658847258.db2.gz NAYDZVKIBFMRMI-LURJTMIESA-N -2 3 309.290 0.972 20 0 DCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000170306721 662655954 /nfs/dbraw/zinc/65/59/54/662655954.db2.gz FSMSQOJZXUNLGE-SECBINFHSA-N -2 3 304.324 0.392 20 0 DCADHL O=C(NN1CC(=O)[N-]C1=O)c1ccc(Br)cc1[O-] ZINC000743287627 667805910 /nfs/dbraw/zinc/80/59/10/667805910.db2.gz OIGJVQLHRVVTOX-UHFFFAOYSA-N -2 3 314.095 0.351 20 0 DCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(Br)ccc1F ZINC000816733857 670852992 /nfs/dbraw/zinc/85/29/92/670852992.db2.gz OISTWHSXZZOJJH-UHFFFAOYSA-N -2 3 317.074 0.975 20 0 DCADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000830790282 671641003 /nfs/dbraw/zinc/64/10/03/671641003.db2.gz QYZRCFZXUXJNJJ-LLVKDONJSA-N -2 3 318.255 0.465 20 0 DCADHL CO[N-]C(=O)C[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000832735282 671737671 /nfs/dbraw/zinc/73/76/71/671737671.db2.gz DYAZARKBEYTISS-UHFFFAOYSA-N -2 3 307.684 0.929 20 0 DCADHL Cc1cnc(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])s1 ZINC000833753812 671749470 /nfs/dbraw/zinc/74/94/70/671749470.db2.gz DLGUVFWTNPKOMK-UHFFFAOYSA-N -2 3 316.364 0.660 20 0 DCADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837293316 671855346 /nfs/dbraw/zinc/85/53/46/671855346.db2.gz FNZADTSDZJTNRN-YIZRAAEISA-N -2 3 311.331 0.060 20 0 DCADHL CCCO[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000844080206 672146486 /nfs/dbraw/zinc/14/64/86/672146486.db2.gz DNCQAYUKNCDIMW-UHFFFAOYSA-N -2 3 306.116 0.169 20 0 DCADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000387287428 1158647036 /nfs/dbraw/zinc/64/70/36/1158647036.db2.gz ZVYQHYMSKBPKLR-CQSZACIVSA-N -2 3 301.306 0.946 20 0 DCADHL C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609878126 1159824910 /nfs/dbraw/zinc/82/49/10/1159824910.db2.gz KQCWACFELVQQMM-RQJHMYQMSA-N -2 3 306.365 0.545 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c1C(=O)[O-] ZINC001574182530 1163655566 /nfs/dbraw/zinc/65/55/66/1163655566.db2.gz OMHBHGXNZYCMPX-SCZZXKLOSA-N -2 3 315.351 0.262 20 0 DCADHL O=C([O-])Cn1cnc([N-]C(=O)c2cc(C(F)(F)F)ncn2)n1 ZINC001574376922 1163710361 /nfs/dbraw/zinc/71/03/61/1163710361.db2.gz JVYQSUOGMSWQRC-UHFFFAOYSA-N -2 3 316.199 0.424 20 0 DCADHL COc1ncc(NC(=O)c2cncc([O-])c2)cc1-c1nnn[n-]1 ZINC001580140131 1165515453 /nfs/dbraw/zinc/51/54/53/1165515453.db2.gz UMHWBDOBWNOOAH-UHFFFAOYSA-N -2 3 313.277 0.623 20 0 DCADHL CCC[C@H](CC)S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC001590554375 1166942288 /nfs/dbraw/zinc/94/22/88/1166942288.db2.gz BFWDNDLJNMAYGF-QMMMGPOBSA-N -2 3 313.387 0.921 20 0 DCADHL CCC[C@H](CC)S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1 ZINC001590554375 1166942294 /nfs/dbraw/zinc/94/22/94/1166942294.db2.gz BFWDNDLJNMAYGF-QMMMGPOBSA-N -2 3 313.387 0.921 20 0 DCADHL CCCS(=O)(=O)[N-]c1nc2n(c1-c1nn[n-]n1)CCS2 ZINC001590650254 1166960655 /nfs/dbraw/zinc/96/06/55/1166960655.db2.gz GNVVPNLGPQVYGV-UHFFFAOYSA-N -2 3 315.384 0.321 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590818969 1167031269 /nfs/dbraw/zinc/03/12/69/1167031269.db2.gz LOOUYERJKSSMNH-UHFFFAOYSA-N -2 3 323.288 0.195 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590818969 1167031274 /nfs/dbraw/zinc/03/12/74/1167031274.db2.gz LOOUYERJKSSMNH-UHFFFAOYSA-N -2 3 323.288 0.195 20 0 DCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccccc1 ZINC001590966070 1167061436 /nfs/dbraw/zinc/06/14/36/1167061436.db2.gz RJSPBEKKCGCTFS-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591387526 1167257309 /nfs/dbraw/zinc/25/73/09/1167257309.db2.gz XPORYIOPXAVYSL-AWEZNQCLSA-N -2 3 303.322 0.794 20 0 DCADHL COCCN(CCC(=O)[O-])c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001591422244 1167277966 /nfs/dbraw/zinc/27/79/66/1167277966.db2.gz DNGHIYZAWVGUON-UHFFFAOYSA-N -2 3 320.353 0.806 20 0 DCADHL COCCN(CCC(=O)[O-])c1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001591422244 1167277972 /nfs/dbraw/zinc/27/79/72/1167277972.db2.gz DNGHIYZAWVGUON-UHFFFAOYSA-N -2 3 320.353 0.806 20 0 DCADHL C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591753419 1167366355 /nfs/dbraw/zinc/36/63/55/1167366355.db2.gz ZANWUOLBNSWTTK-MLUIRONXSA-N -2 3 315.305 0.832 20 0 DCADHL O=C(NCCc1n[n-]c(=S)o1)c1sccc1-c1nnn[n-]1 ZINC001593107147 1167709772 /nfs/dbraw/zinc/70/97/72/1167709772.db2.gz REIWZMALYYQYQI-UHFFFAOYSA-N -2 3 323.363 0.572 20 0 DCADHL O=C(NCCc1n[n-]c(=S)o1)c1sccc1-c1nn[n-]n1 ZINC001593107147 1167709780 /nfs/dbraw/zinc/70/97/80/1167709780.db2.gz REIWZMALYYQYQI-UHFFFAOYSA-N -2 3 323.363 0.572 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2sccc2-c2nnn[n-]2)O1 ZINC001593273359 1167749113 /nfs/dbraw/zinc/74/91/13/1167749113.db2.gz FUFHVUAFJMAYLH-NKWVEPMBSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2sccc2-c2nn[n-]n2)O1 ZINC001593273359 1167749124 /nfs/dbraw/zinc/74/91/24/1167749124.db2.gz FUFHVUAFJMAYLH-NKWVEPMBSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)O1 ZINC001593275745 1167751567 /nfs/dbraw/zinc/75/15/67/1167751567.db2.gz XGRMEFZFAYTVHY-UWVGGRQHSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)O1 ZINC001593275745 1167751573 /nfs/dbraw/zinc/75/15/73/1167751573.db2.gz XGRMEFZFAYTVHY-UWVGGRQHSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@@H]1CCN(c2nc3ncccc3cc2-c2nnn[n-]2)C1 ZINC001593275374 1167752278 /nfs/dbraw/zinc/75/22/78/1167752278.db2.gz BCYXGGBJCFCRLG-SECBINFHSA-N -2 3 311.305 0.721 20 0 DCADHL O=C([O-])[C@@H]1CCN(c2nc3ncccc3cc2-c2nn[n-]n2)C1 ZINC001593275374 1167752285 /nfs/dbraw/zinc/75/22/85/1167752285.db2.gz BCYXGGBJCFCRLG-SECBINFHSA-N -2 3 311.305 0.721 20 0 DCADHL O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593278813 1167754653 /nfs/dbraw/zinc/75/46/53/1167754653.db2.gz CIZALBBXPUKJKB-LBPRGKRZSA-N -2 3 315.333 0.732 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1c(C)nn2cccnc12)C(=O)[O-] ZINC001596001895 1167984538 /nfs/dbraw/zinc/98/45/38/1167984538.db2.gz BAOHVLZFLQGZEQ-SECBINFHSA-N -2 3 312.351 0.569 20 0 DCADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC001600353522 1168172909 /nfs/dbraw/zinc/17/29/09/1168172909.db2.gz AAIDJIRVYKCOMT-QMMMGPOBSA-N -2 3 318.289 0.995 20 0 DCADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC001600353522 1168172913 /nfs/dbraw/zinc/17/29/13/1168172913.db2.gz AAIDJIRVYKCOMT-QMMMGPOBSA-N -2 3 318.289 0.995 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCOC2)c1C(=O)[O-] ZINC001600673130 1168244966 /nfs/dbraw/zinc/24/49/66/1168244966.db2.gz NZIVTNNXLROMLJ-APPZFPTMSA-N -2 3 317.367 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)C[C@H]2CCOC2)c1C(=O)[O-] ZINC001600673133 1168245955 /nfs/dbraw/zinc/24/59/55/1168245955.db2.gz NZIVTNNXLROMLJ-VXNVDRBHSA-N -2 3 317.367 0.510 20 0 DCADHL Cc1nc(C)c(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(=O)[n-]1 ZINC001600691609 1168253769 /nfs/dbraw/zinc/25/37/69/1168253769.db2.gz KZQYDVHHZWSKRF-ZWNOBZJWSA-N -2 3 323.349 0.338 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]C(C)(C)c1cc(C(=O)[O-])on1 ZINC001600818556 1168474625 /nfs/dbraw/zinc/47/46/25/1168474625.db2.gz QQFYSPNWEFUPFY-UHFFFAOYSA-N -2 3 315.307 0.883 20 0 DCADHL O=C([O-])c1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)nc1 ZINC001601495225 1168765118 /nfs/dbraw/zinc/76/51/18/1168765118.db2.gz VRHCWRSZRBEPCE-QMMMGPOBSA-N -2 3 305.294 0.413 20 0 DCADHL O=C([O-])Cc1nc([N-]C(=O)c2coc3c2C(=O)CCC3)n[nH]1 ZINC001602154450 1169004917 /nfs/dbraw/zinc/00/49/17/1169004917.db2.gz OKPQYXVKSQAHNA-UHFFFAOYSA-N -2 3 304.262 0.796 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cnc(Cl)cn2)o1 ZINC001602401233 1169074179 /nfs/dbraw/zinc/07/41/79/1169074179.db2.gz WXDPJYJRAAQEMN-UHFFFAOYSA-N -2 3 317.710 0.900 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCc2cccnc21 ZINC001602506947 1169101917 /nfs/dbraw/zinc/10/19/17/1169101917.db2.gz UPEUCSMWUVLBRH-VIFPVBQESA-N -2 3 322.346 0.511 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1 ZINC001602588841 1169127154 /nfs/dbraw/zinc/12/71/54/1169127154.db2.gz OFRGQIUPMZAMBB-JGVFFNPUSA-N -2 3 320.392 0.671 20 0 DCADHL O=C([O-])[C@H](CC(F)F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001602656447 1169149437 /nfs/dbraw/zinc/14/94/37/1169149437.db2.gz OCCRASBXBIBUGC-MBACFSSFSA-N -2 3 310.256 0.996 20 0 DCADHL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001603304702 1169290547 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396193607 /nfs/dbraw/zinc/19/36/07/396193607.db2.gz IHZKCXICUTZAQG-VIFPVBQESA-N -2 3 319.317 0.059 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000262983623 396196523 /nfs/dbraw/zinc/19/65/23/396196523.db2.gz NJFRJWQWSNUXAN-JGVFFNPUSA-N -2 3 320.392 0.394 20 0 DCADHL CCOC(=O)c1nc([N-]S(=O)(=O)CCOCC2CC2)c[n-]1 ZINC000591649299 396965205 /nfs/dbraw/zinc/96/52/05/396965205.db2.gz CLHOAJWCFXDAKC-UHFFFAOYSA-N -2 3 317.367 0.755 20 0 DCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1sc(C)nc1C ZINC000573244128 397149184 /nfs/dbraw/zinc/14/91/84/397149184.db2.gz RPBLXVLKJDCTLH-NSHDSACASA-N -2 3 322.408 0.918 20 0 DCADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000400468764 397319426 /nfs/dbraw/zinc/31/94/26/397319426.db2.gz WCHCGYIUIITKTA-WCBMZHEXSA-N -2 3 303.384 0.896 20 0 DCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CCO1 ZINC000408488479 160119293 /nfs/dbraw/zinc/11/92/93/160119293.db2.gz NVFNLIKATYKWQT-IUCAKERBSA-N -2 3 324.362 0.578 20 0 DCADHL CS(=O)(=O)[N-]c1cncc(C(=O)NCc2ncccc2[O-])c1 ZINC000352514592 415200519 /nfs/dbraw/zinc/20/05/19/415200519.db2.gz BLRVKUUSHHTIDX-UHFFFAOYSA-N -2 3 322.346 0.484 20 0 DCADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000358953316 416297699 /nfs/dbraw/zinc/29/76/99/416297699.db2.gz ZJQUBRRHRBHVTM-UHFFFAOYSA-N -2 3 314.298 0.460 20 0 DCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccn(C)n2)ccc1[O-] ZINC000360499032 416394001 /nfs/dbraw/zinc/39/40/01/416394001.db2.gz DYGLOXHKCPMOJF-UHFFFAOYSA-N -2 3 310.335 0.885 20 0 DCADHL CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1(C)C ZINC000516865104 416747150 /nfs/dbraw/zinc/74/71/50/416747150.db2.gz OWWWJRDWYWOFLX-FTLITQJKSA-N -2 3 317.367 0.446 20 0 DCADHL Cc1cc(C(=O)NCc2c[nH]cn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000443363364 416752886 /nfs/dbraw/zinc/75/28/86/416752886.db2.gz BJNHQMZWLDPIGZ-UHFFFAOYSA-N -2 3 300.278 0.398 20 0 DCADHL Cc1cc(C(=O)NCc2cnc[nH]2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000443363364 416752894 /nfs/dbraw/zinc/75/28/94/416752894.db2.gz BJNHQMZWLDPIGZ-UHFFFAOYSA-N -2 3 300.278 0.398 20 0 DCADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC3(C(=O)[O-])CC3)cn21 ZINC000557082990 416726394 /nfs/dbraw/zinc/72/63/94/416726394.db2.gz FQFKVLVRHXCMOY-SECBINFHSA-N -2 3 313.379 0.924 20 0 DCADHL O=C(c1c(F)ccc([O-])c1F)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000408206536 417149135 /nfs/dbraw/zinc/14/91/35/417149135.db2.gz UJVXTDALVJKUEM-ZETCQYMHSA-N -2 3 311.244 0.047 20 0 DCADHL C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000568746090 417168740 /nfs/dbraw/zinc/16/87/40/417168740.db2.gz LQPXIQKJUVJQIA-BQBZGAKWSA-N -2 3 308.381 0.527 20 0 DCADHL O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1c(=O)[nH][n-]c1C1CC1 ZINC000568747217 417170111 /nfs/dbraw/zinc/17/01/11/417170111.db2.gz FHZOKSLDPIIRAH-JTQLQIEISA-N -2 3 312.285 0.021 20 0 DCADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2ccccc2C)n1 ZINC000414457525 417280119 /nfs/dbraw/zinc/28/01/19/417280119.db2.gz SBRBHVANVJNVRI-UHFFFAOYSA-N -2 3 310.335 0.629 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1F)CC(=O)[O-] ZINC000530488381 417580336 /nfs/dbraw/zinc/58/03/36/417580336.db2.gz FFHSAWQALFRWAZ-MRVPVSSYSA-N -2 3 323.317 0.874 20 0 DCADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000645963823 417833262 /nfs/dbraw/zinc/83/32/62/417833262.db2.gz VUVYWOBMDYXYTQ-ZETCQYMHSA-N -2 3 321.376 0.912 20 0 DCADHL CC(C)c1[n-][nH]c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000663220022 418001459 /nfs/dbraw/zinc/00/14/59/418001459.db2.gz WCUARLWEEHWGSR-SNVBAGLBSA-N -2 3 314.301 0.267 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493368 418083110 /nfs/dbraw/zinc/08/31/10/418083110.db2.gz UDJYDEHKCXWYRV-KXUCPTDWSA-N -2 3 315.395 0.834 20 0 DCADHL C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000650447853 418311630 /nfs/dbraw/zinc/31/16/30/418311630.db2.gz YDHQSDMOSNYHSU-ZETCQYMHSA-N -2 3 320.392 0.935 20 0 DCADHL COc1nc([N-]S(=O)(=O)CCc2ccc(F)cc2)n[n-]1 ZINC000656731896 418374312 /nfs/dbraw/zinc/37/43/12/418374312.db2.gz OVRLXOFUSPXXSQ-UHFFFAOYSA-N -2 3 300.315 0.937 20 0 DCADHL Cc1ncc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)s1 ZINC000354452623 261220844 /nfs/dbraw/zinc/22/08/44/261220844.db2.gz WFFSOJRNEJTLJI-UHFFFAOYSA-N -2 3 319.393 0.927 20 0 DCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000547546045 288056557 /nfs/dbraw/zinc/05/65/57/288056557.db2.gz ZRHTWZYZHDXCPB-ZETCQYMHSA-N -2 3 319.310 0.611 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c(F)c1 ZINC000547553646 288057532 /nfs/dbraw/zinc/05/75/32/288057532.db2.gz FMGCNJRTQLRREN-JOYOIKCWSA-N -2 3 317.338 0.902 20 0 DCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)[C@@H]1CCOC1 ZINC000547880520 288088263 /nfs/dbraw/zinc/08/82/63/288088263.db2.gz OCPWJGNSFPVBKN-XCBNKYQSSA-N -2 3 320.754 0.503 20 0 DCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000548228700 288122848 /nfs/dbraw/zinc/12/28/48/288122848.db2.gz IQSNUKFYLNLJAG-SECBINFHSA-N -2 3 309.290 0.651 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1F ZINC000548528496 288150524 /nfs/dbraw/zinc/15/05/24/288150524.db2.gz AYKKPIOFROJOEM-BXKDBHETSA-N -2 3 317.338 0.902 20 0 DCADHL C[C@@]1(C[C@H]2CCCN2C(=O)c2ncccc2[O-])NC(=O)[N-]C1=O ZINC000561240039 288535038 /nfs/dbraw/zinc/53/50/38/288535038.db2.gz GCKFULCRZQGBJY-PSLIRLAXSA-N -2 3 318.333 0.380 20 0 DCADHL CC(C)n1cnc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c1 ZINC000563687296 288697377 /nfs/dbraw/zinc/69/73/77/288697377.db2.gz KUZJNAQJNUOKJA-UHFFFAOYSA-N -2 3 301.368 0.997 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCC[S@@](C)=O)cc1C(=O)[O-] ZINC000584170281 331851573 /nfs/dbraw/zinc/85/15/73/331851573.db2.gz GPWKIXQLJKPGAF-GOSISDBHSA-N -2 3 309.365 0.333 20 0 DCADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000583202168 337268714 /nfs/dbraw/zinc/26/87/14/337268714.db2.gz RKLIIXJCWXWYPX-SFYZADRCSA-N -2 3 320.392 0.935 20 0 DCADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCOC1 ZINC000085855688 545706176 /nfs/dbraw/zinc/70/61/76/545706176.db2.gz MZFRDRGOUKEPLA-NSHDSACASA-N -2 3 307.274 0.487 20 0 DCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000822259323 607259161 /nfs/dbraw/zinc/25/91/61/607259161.db2.gz ULOOOQIMIAZNMW-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1conc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822409845 607380912 /nfs/dbraw/zinc/38/09/12/607380912.db2.gz VVXVEUVWBVHFQX-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1conc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822409845 607380914 /nfs/dbraw/zinc/38/09/14/607380914.db2.gz VVXVEUVWBVHFQX-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CCNC(=O)[O-] ZINC000738167862 599744036 /nfs/dbraw/zinc/74/40/36/599744036.db2.gz IJWHBGKLTPSPPF-UHFFFAOYSA-N -2 3 301.324 0.654 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccnc2)o1 ZINC000740176631 600449951 /nfs/dbraw/zinc/44/99/51/600449951.db2.gz LRDSYMCMCQGMIH-UHFFFAOYSA-N -2 3 312.303 0.730 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1F ZINC000826292736 607460540 /nfs/dbraw/zinc/46/05/40/607460540.db2.gz JTCPMHNMSFLCCR-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL O=c1[n-]c(CNc2c(-c3nnn[n-]3)cnc3ccccc32)n[nH]1 ZINC000826501468 607522002 /nfs/dbraw/zinc/52/20/02/607522002.db2.gz RQHGBWVTQPRESM-UHFFFAOYSA-N -2 3 309.293 0.273 20 0 DCADHL O=c1[n-]c(CNc2c(-c3nn[n-]n3)cnc3ccccc32)n[nH]1 ZINC000826501468 607522003 /nfs/dbraw/zinc/52/20/03/607522003.db2.gz RQHGBWVTQPRESM-UHFFFAOYSA-N -2 3 309.293 0.273 20 0 DCADHL O=C([O-])[C@]1(F)CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000833360441 601718147 /nfs/dbraw/zinc/71/81/47/601718147.db2.gz IQCKLWGZHFFLSZ-AWEZNQCLSA-N -2 3 306.249 0.209 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000831077840 601784600 /nfs/dbraw/zinc/78/46/00/601784600.db2.gz CPVNZBSKZWIEPX-GXSJLCMTSA-N -2 3 315.347 0.541 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826303999 607535085 /nfs/dbraw/zinc/53/50/85/607535085.db2.gz QHVRLDMIZCDYMR-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826303999 607535087 /nfs/dbraw/zinc/53/50/87/607535087.db2.gz QHVRLDMIZCDYMR-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc(C(=O)[N-]c2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)on1 ZINC000829971643 603954004 /nfs/dbraw/zinc/95/40/04/603954004.db2.gz PGHLSDFKHLHGDB-UHFFFAOYSA-N -2 3 321.297 0.153 20 0 DCADHL C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)NC(=O)[O-] ZINC000824727395 603981164 /nfs/dbraw/zinc/98/11/64/603981164.db2.gz HLOGLTTWFNQXPE-ZETCQYMHSA-N -2 3 314.319 0.594 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000831192516 604316973 /nfs/dbraw/zinc/31/69/73/604316973.db2.gz LPNGPWLZDRZESW-UHFFFAOYSA-N -2 3 322.252 0.610 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n[n-]1 ZINC000831192516 604316977 /nfs/dbraw/zinc/31/69/77/604316977.db2.gz LPNGPWLZDRZESW-UHFFFAOYSA-N -2 3 322.252 0.610 20 0 DCADHL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000833721775 604528128 /nfs/dbraw/zinc/52/81/28/604528128.db2.gz HABINIVTXQOJAR-HNNXBMFYSA-N -2 3 324.333 0.960 20 0 DCADHL O=C([O-])N1CCC[C@H](C(=O)Nc2n[n-]c(SCCO)n2)C1 ZINC000831810294 604935556 /nfs/dbraw/zinc/93/55/56/604935556.db2.gz LPNHGJIQNHLKRN-ZETCQYMHSA-N -2 3 315.355 0.218 20 0 DCADHL COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)NC(=O)[O-])nc21 ZINC000833717055 605059529 /nfs/dbraw/zinc/05/95/29/605059529.db2.gz TVAOOADBFJJRFA-LURJTMIESA-N -2 3 306.278 0.944 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]C2CCN(C(=O)[O-])CC2)s1 ZINC000830812694 605170597 /nfs/dbraw/zinc/17/05/97/605170597.db2.gz IHALPQPFISRMNH-UHFFFAOYSA-N -2 3 305.381 0.872 20 0 DCADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCCNC(=O)[O-] ZINC000823760334 605401780 /nfs/dbraw/zinc/40/17/80/605401780.db2.gz RDNSQGFZFJCFKR-MRVPVSSYSA-N -2 3 310.372 0.151 20 0 DCADHL O=C([O-])N(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000833997051 605984353 /nfs/dbraw/zinc/98/43/53/605984353.db2.gz AFJDBNLJLQXXMF-UHFFFAOYSA-N -2 3 316.321 0.625 20 0 DCADHL O=C([O-])N[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000834147566 605991985 /nfs/dbraw/zinc/99/19/85/605991985.db2.gz QNSKDFVTAZRTHT-LLVKDONJSA-N -2 3 317.301 0.346 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000820226009 607108435 /nfs/dbraw/zinc/10/84/35/607108435.db2.gz RRDQVMDNFJVLNP-DTWKUNHWSA-N -2 3 319.321 0.613 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000820226009 607108437 /nfs/dbraw/zinc/10/84/37/607108437.db2.gz RRDQVMDNFJVLNP-DTWKUNHWSA-N -2 3 319.321 0.613 20 0 DCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998993806 665559290 /nfs/dbraw/zinc/55/92/90/665559290.db2.gz CVDMFKMPDQNGRI-SECBINFHSA-N -2 3 318.337 0.005 20 0 DCADHL O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)COC2)NCC1CC1 ZINC000068076371 665394485 /nfs/dbraw/zinc/39/44/85/665394485.db2.gz WJRZGDJPXVGGED-UHFFFAOYSA-N -2 3 311.363 0.619 20 0 DCADHL O=C(c1ccccc1[O-])N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[n-]1 ZINC001032287613 666694006 /nfs/dbraw/zinc/69/40/06/666694006.db2.gz LISGYUWSLWYMBB-UWVGGRQHSA-N -2 3 315.333 0.315 20 0 DCADHL O=C(c1ccc([O-])cc1F)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000776563746 668877717 /nfs/dbraw/zinc/87/77/17/668877717.db2.gz JYSMWQFNLWCYQO-SNVBAGLBSA-N -2 3 309.326 0.975 20 0 DCADHL O=C(c1ccc([O-])cc1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563746 668877718 /nfs/dbraw/zinc/87/77/18/668877718.db2.gz JYSMWQFNLWCYQO-SNVBAGLBSA-N -2 3 309.326 0.975 20 0 DCADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000787936882 669414016 /nfs/dbraw/zinc/41/40/16/669414016.db2.gz VHNYWRCSQFXTCP-ZETCQYMHSA-N -2 3 323.758 0.093 20 0 DCADHL Cn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000389842210 685258428 /nfs/dbraw/zinc/25/84/28/685258428.db2.gz XLGJPBYTCPVKKJ-UHFFFAOYSA-N -2 3 302.337 0.053 20 0 DCADHL CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573608768 1163516087 /nfs/dbraw/zinc/51/60/87/1163516087.db2.gz GCIPHMGHBWEZSR-LBPRGKRZSA-N -2 3 317.367 0.327 20 0 DCADHL COc1cc(C(=O)NC2(CC(=O)[O-])COC2)cc(OC)c1[O-] ZINC001574012486 1163624505 /nfs/dbraw/zinc/62/45/05/1163624505.db2.gz MXARXCUPNOMDIB-UHFFFAOYSA-N -2 3 311.290 0.383 20 0 DCADHL Cc1nc(C)c(CC(=O)NCc2cc(C(=O)[O-])no2)c(=O)[n-]1 ZINC001574187318 1163654830 /nfs/dbraw/zinc/65/48/30/1163654830.db2.gz HCHWAPAWUGBLLY-UHFFFAOYSA-N -2 3 306.278 0.344 20 0 DCADHL O=C(NN1C[C@@H]2CCC[C@H]2C1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001582561739 1166047302 /nfs/dbraw/zinc/04/73/02/1166047302.db2.gz SYYSARDAMWUTQQ-QWRGUYRKSA-N -2 3 314.349 0.949 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(F)(F)F ZINC001589975438 1166733494 /nfs/dbraw/zinc/73/34/94/1166733494.db2.gz JJTWGDPIOZGTAS-SCSAIBSYSA-N -2 3 311.245 0.689 20 0 DCADHL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590548942 1166942037 /nfs/dbraw/zinc/94/20/37/1166942037.db2.gz ZMIWQIQPNZJBHW-QMMMGPOBSA-N -2 3 324.366 0.503 20 0 DCADHL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590548942 1166942046 /nfs/dbraw/zinc/94/20/46/1166942046.db2.gz ZMIWQIQPNZJBHW-QMMMGPOBSA-N -2 3 324.366 0.503 20 0 DCADHL CCOCCO[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001590816346 1167029080 /nfs/dbraw/zinc/02/90/80/1167029080.db2.gz IKFDCQGBURBYGZ-UHFFFAOYSA-N -2 3 307.310 0.330 20 0 DCADHL CCOCCO[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001590816346 1167029083 /nfs/dbraw/zinc/02/90/83/1167029083.db2.gz IKFDCQGBURBYGZ-UHFFFAOYSA-N -2 3 307.310 0.330 20 0 DCADHL CCO[N-]C(=O)CNC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590818455 1167030848 /nfs/dbraw/zinc/03/08/48/1167030848.db2.gz AFRKYVQVEBDIFW-UHFFFAOYSA-N -2 3 318.337 0.281 20 0 DCADHL CCO[N-]C(=O)CNC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590818455 1167030852 /nfs/dbraw/zinc/03/08/52/1167030852.db2.gz AFRKYVQVEBDIFW-UHFFFAOYSA-N -2 3 318.337 0.281 20 0 DCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccoc1 ZINC001590965829 1167062463 /nfs/dbraw/zinc/06/24/63/1167062463.db2.gz MWFKEDVBQILPEQ-UHFFFAOYSA-N -2 3 309.311 0.477 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591152059 1167116998 /nfs/dbraw/zinc/11/69/98/1167116998.db2.gz OMBHQRNSFFXABT-UHFFFAOYSA-N -2 3 307.295 0.289 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591152059 1167117001 /nfs/dbraw/zinc/11/70/01/1167117001.db2.gz OMBHQRNSFFXABT-UHFFFAOYSA-N -2 3 307.295 0.289 20 0 DCADHL COCCO[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591439297 1167290191 /nfs/dbraw/zinc/29/01/91/1167290191.db2.gz JDYCYINRSIPJTN-UHFFFAOYSA-N -2 3 303.322 0.593 20 0 DCADHL COCCO[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591439297 1167290198 /nfs/dbraw/zinc/29/01/98/1167290198.db2.gz JDYCYINRSIPJTN-UHFFFAOYSA-N -2 3 303.322 0.593 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001591467808 1167298202 /nfs/dbraw/zinc/29/82/02/1167298202.db2.gz WMQUBIMQQRDYMI-UHFFFAOYSA-N -2 3 324.366 0.842 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001591467808 1167298208 /nfs/dbraw/zinc/29/82/08/1167298208.db2.gz WMQUBIMQQRDYMI-UHFFFAOYSA-N -2 3 324.366 0.842 20 0 DCADHL COc1ccc(CNC(=O)[C@H](C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001591592287 1167334352 /nfs/dbraw/zinc/33/43/52/1167334352.db2.gz HZQIVDWRZJAFLJ-ZETCQYMHSA-N -2 3 305.294 0.212 20 0 DCADHL COc1ccc(CNC(=O)[C@H](C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001591592287 1167334363 /nfs/dbraw/zinc/33/43/63/1167334363.db2.gz HZQIVDWRZJAFLJ-ZETCQYMHSA-N -2 3 305.294 0.212 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2nnc[nH]2)ccc1-c1nnn[n-]1 ZINC001592067920 1167449110 /nfs/dbraw/zinc/44/91/10/1167449110.db2.gz YRQLEEIZVKLUTH-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2nnc[nH]2)ccc1-c1nn[n-]n1 ZINC001592067920 1167449113 /nfs/dbraw/zinc/44/91/13/1167449113.db2.gz YRQLEEIZVKLUTH-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)nc2)c1-c1nnn[n-]1 ZINC001592194075 1167476491 /nfs/dbraw/zinc/47/64/91/1167476491.db2.gz OGQJICUEKHJUQY-UHFFFAOYSA-N -2 3 320.338 0.402 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2cccnc2)cc1-c1nnn[n-]1 ZINC001592414753 1167516504 /nfs/dbraw/zinc/51/65/04/1167516504.db2.gz MPCNCLIDSMYFAP-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2cccnc2)cc1-c1nn[n-]n1 ZINC001592414753 1167516511 /nfs/dbraw/zinc/51/65/11/1167516511.db2.gz MPCNCLIDSMYFAP-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL O=C([N-]OC/C=C/Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001593169477 1167728991 /nfs/dbraw/zinc/72/89/91/1167728991.db2.gz TZIVVXRARINQIA-LZCJLJQNSA-N -2 3 322.712 0.606 20 0 DCADHL O=C([N-]OC/C=C/Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001593169477 1167728999 /nfs/dbraw/zinc/72/89/99/1167728999.db2.gz TZIVVXRARINQIA-LZCJLJQNSA-N -2 3 322.712 0.606 20 0 DCADHL O=C(NO[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593166242 1167729085 /nfs/dbraw/zinc/72/90/85/1167729085.db2.gz DTVLPXXQVDXQPA-LLVKDONJSA-N -2 3 305.294 0.760 20 0 DCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593170955 1167729577 /nfs/dbraw/zinc/72/95/77/1167729577.db2.gz NIQFIUGILHWGFX-FHUSYTEZSA-N -2 3 313.317 0.700 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593170955 1167729587 /nfs/dbraw/zinc/72/95/87/1167729587.db2.gz NIQFIUGILHWGFX-FHUSYTEZSA-N -2 3 313.317 0.700 20 0 DCADHL O=C([O-])C1CN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001593275527 1167753073 /nfs/dbraw/zinc/75/30/73/1167753073.db2.gz CLVPIYQIVDMOFC-UHFFFAOYSA-N -2 3 320.284 0.232 20 0 DCADHL O=C([O-])C1CN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001593275527 1167753079 /nfs/dbraw/zinc/75/30/79/1167753079.db2.gz CLVPIYQIVDMOFC-UHFFFAOYSA-N -2 3 320.284 0.232 20 0 DCADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(C)nn2)cc1C(=O)[O-] ZINC001600481479 1168191133 /nfs/dbraw/zinc/19/11/33/1168191133.db2.gz YOLCNFGNJFIUPM-UHFFFAOYSA-N -2 3 311.319 0.863 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])c(=O)[n-]1 ZINC001600691020 1168252683 /nfs/dbraw/zinc/25/26/83/1168252683.db2.gz PFUIAWCEWGSEMV-JTQLQIEISA-N -2 3 309.322 0.044 20 0 DCADHL Cc1nccn1CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001600755699 1168279172 /nfs/dbraw/zinc/27/91/72/1168279172.db2.gz ZETWDOWWYYQHMV-UHFFFAOYSA-N -2 3 314.323 0.246 20 0 DCADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)[n-]cn1)Cc1ccncc1 ZINC001601465433 1168756748 /nfs/dbraw/zinc/75/67/48/1168756748.db2.gz QETWNQSOCUUBMK-JTQLQIEISA-N -2 3 302.290 0.251 20 0 DCADHL O=C([O-])[C@@H]1OCC[C@@H]1NCc1ncc(Br)cc1[O-] ZINC001602202965 1169027477 /nfs/dbraw/zinc/02/74/77/1169027477.db2.gz MTPRQILOXOWJQC-OIBJUYFYSA-N -2 3 317.139 0.881 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])o1 ZINC001602395998 1169070228 /nfs/dbraw/zinc/07/02/28/1169070228.db2.gz KSAPJPURGZHPIT-MRVPVSSYSA-N -3 3 317.319 0.900 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCC12OCCO2 ZINC001602488739 1169091461 /nfs/dbraw/zinc/09/14/61/1169091461.db2.gz LJUJSFOGLLUZGH-SECBINFHSA-N -2 3 317.319 0.552 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC001602506623 1169101158 /nfs/dbraw/zinc/10/11/58/1169101158.db2.gz HZBRPRAXCQFQGO-JTQLQIEISA-N -2 3 317.367 0.327 20 0 DCADHL O=C([O-])c1coc(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)c1 ZINC001602549341 1169114939 /nfs/dbraw/zinc/11/49/39/1169114939.db2.gz NKRNECVNELNIIW-SECBINFHSA-N -2 3 318.289 0.482 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCc1cscn1 ZINC001602588634 1169127076 /nfs/dbraw/zinc/12/70/76/1169127076.db2.gz FGDGSCUZSQJXLY-UHFFFAOYSA-N -2 3 319.389 0.819 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC001602588844 1169129491 /nfs/dbraw/zinc/12/94/91/1169129491.db2.gz OFZSXMKZPKCYRH-UHFFFAOYSA-N -2 3 306.365 0.281 20 0 DCADHL CCn1cc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001604604148 1169628855 /nfs/dbraw/zinc/62/88/55/1169628855.db2.gz MCDWYHYTUHQOEG-UHFFFAOYSA-N -2 3 313.321 0.736 20 0 DCADHL CCn1cc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001604604148 1169628860 /nfs/dbraw/zinc/62/88/60/1169628860.db2.gz MCDWYHYTUHQOEG-UHFFFAOYSA-N -2 3 313.321 0.736 20 0 DCADHL Cc1c(NC(=O)C(=O)[N-]OC2CCC2)cccc1-c1nnn[n-]1 ZINC001605494177 1169939070 /nfs/dbraw/zinc/93/90/70/1169939070.db2.gz GZZVKPCAZXADGQ-UHFFFAOYSA-N -2 3 316.321 0.714 20 0 DCADHL Cc1c(NC(=O)C(=O)[N-]OC2CCC2)cccc1-c1nn[n-]n1 ZINC001605494177 1169939073 /nfs/dbraw/zinc/93/90/73/1169939073.db2.gz GZZVKPCAZXADGQ-UHFFFAOYSA-N -2 3 316.321 0.714 20 0 DCADHL CCOC(=O)c1cc(NC(=O)c2csc(C(=O)[O-])n2)[n-]n1 ZINC001605565829 1169962154 /nfs/dbraw/zinc/96/21/54/1169962154.db2.gz JRIPWXNQUQTABI-UHFFFAOYSA-N -2 3 310.291 0.993 20 0 DCADHL CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001605734284 1169995413 /nfs/dbraw/zinc/99/54/13/1169995413.db2.gz FPAWZVQVDDIEAK-RGOKHQFPSA-N -2 3 324.424 0.438 20 0 DCADHL Cn1ncc(-c2nnn[n-]2)c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001606270733 1170144494 /nfs/dbraw/zinc/14/44/94/1170144494.db2.gz HIBKJWUEPYSQCQ-VHSXEESVSA-N -2 3 303.326 0.147 20 0 DCADHL Cn1ncc(-c2nn[n-]n2)c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001606270733 1170144500 /nfs/dbraw/zinc/14/45/00/1170144500.db2.gz HIBKJWUEPYSQCQ-VHSXEESVSA-N -2 3 303.326 0.147 20 0 DCADHL O=C([O-])[C@]1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001606489659 1170220138 /nfs/dbraw/zinc/22/01/38/1170220138.db2.gz HJJCIVFFGXULIP-AWEZNQCLSA-N -2 3 317.305 0.687 20 0 DCADHL COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606507022 1170223327 /nfs/dbraw/zinc/22/33/27/1170223327.db2.gz PHUVYTYRGDBNEO-APPZFPTMSA-N -2 3 317.319 0.598 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC001606865518 1170317681 /nfs/dbraw/zinc/31/76/81/1170317681.db2.gz PUGBDNPKNDGHOI-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001606865518 1170317686 /nfs/dbraw/zinc/31/76/86/1170317686.db2.gz PUGBDNPKNDGHOI-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL CO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO2 ZINC001607005020 1170353099 /nfs/dbraw/zinc/35/30/99/1170353099.db2.gz XEFYFXKFHNXARD-JLLWLGSASA-N -2 3 307.368 0.312 20 0 DCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001607445833 1170456277 /nfs/dbraw/zinc/45/62/77/1170456277.db2.gz FZYYIQPGAKUVHS-RKDXNWHRSA-N -2 3 316.321 0.587 20 0 DCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001607445833 1170456280 /nfs/dbraw/zinc/45/62/80/1170456280.db2.gz FZYYIQPGAKUVHS-RKDXNWHRSA-N -2 3 316.321 0.587 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC2(C)OCCO2)oc1C(=O)[O-] ZINC001607707908 1170498864 /nfs/dbraw/zinc/49/88/64/1170498864.db2.gz VWSFZIJWKXDSIF-UHFFFAOYSA-N -2 3 305.308 0.328 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)c1C(=O)[O-] ZINC001607939938 1170528727 /nfs/dbraw/zinc/52/87/27/1170528727.db2.gz IAFYCQZRQQCIGB-CBAPKCEASA-N -2 3 317.367 0.510 20 0 DCADHL Cn1cc(C(=O)C(=O)Nc2cc(CCC(=O)[O-])ccc2[O-])cn1 ZINC001608097238 1170571263 /nfs/dbraw/zinc/57/12/63/1170571263.db2.gz SXDCBVYHHXUHQM-UHFFFAOYSA-N -2 3 317.301 0.964 20 0 DCADHL Cn1nccc1[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001608163225 1170604818 /nfs/dbraw/zinc/60/48/18/1170604818.db2.gz ODFASFHBIVRTCT-LBPRGKRZSA-N -2 3 319.273 0.410 20 0 DCADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001608414713 1170673615 /nfs/dbraw/zinc/67/36/15/1170673615.db2.gz QFTJQDCMJHTULB-BZNIZROVSA-N -2 3 318.329 0.588 20 0 DCADHL O=C([O-])[C@@H](CC1OCCO1)[N-]C(=O)C(F)(F)c1nccs1 ZINC001608533360 1170696673 /nfs/dbraw/zinc/69/66/73/1170696673.db2.gz OEHOHFTWGKVDGU-ZCFIWIBFSA-N -2 3 322.289 0.567 20 0 DCADHL O=C([O-])CCCS(=O)(=O)[N-][C@H]1CN(c2ccccc2)C1=O ZINC001608718253 1170742732 /nfs/dbraw/zinc/74/27/32/1170742732.db2.gz GFNVRKLNXAUTED-NSHDSACASA-N -2 3 312.347 0.186 20 0 DCADHL O=C([O-])CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001608743544 1170748245 /nfs/dbraw/zinc/74/82/45/1170748245.db2.gz KPNKTBPWIGCKAH-UHFFFAOYSA-N -2 3 316.321 0.731 20 0 DCADHL O=C([O-])CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001608743544 1170748247 /nfs/dbraw/zinc/74/82/47/1170748247.db2.gz KPNKTBPWIGCKAH-UHFFFAOYSA-N -2 3 316.321 0.731 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H](O)c2ccco2)c1 ZINC001608990892 1170781617 /nfs/dbraw/zinc/78/16/17/1170781617.db2.gz UJTIRLUDTBDNHQ-QMMMGPOBSA-N -2 3 301.276 0.583 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCC=CO1 ZINC001609005470 1170784309 /nfs/dbraw/zinc/78/43/09/1170784309.db2.gz QJQNTSOTTFYSBI-SSDOTTSWSA-N -2 3 304.349 0.812 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC001609004914 1170784578 /nfs/dbraw/zinc/78/45/78/1170784578.db2.gz CGHNGEYRVAPVQW-QMMMGPOBSA-N -2 3 318.376 0.689 20 0 DCADHL O=C([O-])C1(S(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)CCC1 ZINC001609031484 1170787983 /nfs/dbraw/zinc/78/79/83/1170787983.db2.gz GSKIWJZPZQPBRJ-LLVKDONJSA-N -2 3 324.358 0.329 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OC(C)(C)CO ZINC001609136059 1170821812 /nfs/dbraw/zinc/82/18/12/1170821812.db2.gz KSGRLNKJOIKZIZ-SECBINFHSA-N -2 3 321.337 0.453 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OC(C)(C)CO ZINC001609136059 1170821817 /nfs/dbraw/zinc/82/18/17/1170821817.db2.gz KSGRLNKJOIKZIZ-SECBINFHSA-N -2 3 321.337 0.453 20 0 DCADHL CC[C@@H](C)CO[N-]C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001609184842 1170858299 /nfs/dbraw/zinc/85/82/99/1170858299.db2.gz RPZLXKZSMCLXKW-SECBINFHSA-N -2 3 305.342 0.768 20 0 DCADHL CC[C@@H](C)CO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001609184842 1170858309 /nfs/dbraw/zinc/85/83/09/1170858309.db2.gz RPZLXKZSMCLXKW-SECBINFHSA-N -2 3 305.342 0.768 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)NCCC(=O)[O-] ZINC001609335564 1170945277 /nfs/dbraw/zinc/94/52/77/1170945277.db2.gz UUXHTTCSQLDJNZ-UHFFFAOYSA-N -2 3 306.282 0.472 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)NCCC(=O)[O-] ZINC001609335564 1170945281 /nfs/dbraw/zinc/94/52/81/1170945281.db2.gz UUXHTTCSQLDJNZ-UHFFFAOYSA-N -2 3 306.282 0.472 20 0 DCADHL Cc1c(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cccc1-c1nnn[n-]1 ZINC001609384850 1170956623 /nfs/dbraw/zinc/95/66/23/1170956623.db2.gz VLWSBPCBGAVHST-QWRGUYRKSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1c(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)cccc1-c1nn[n-]n1 ZINC001609384850 1170956627 /nfs/dbraw/zinc/95/66/27/1170956627.db2.gz VLWSBPCBGAVHST-QWRGUYRKSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1noc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1C ZINC001609463248 1170986839 /nfs/dbraw/zinc/98/68/39/1170986839.db2.gz IITQKJJFEHRZIG-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1noc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1C ZINC001609463248 1170986848 /nfs/dbraw/zinc/98/68/48/1170986848.db2.gz IITQKJJFEHRZIG-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609578175 1171028235 /nfs/dbraw/zinc/02/82/35/1171028235.db2.gz CLSCDPQLLVVEPG-UHFFFAOYSA-N -2 3 321.684 0.701 20 0 DCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609578175 1171028242 /nfs/dbraw/zinc/02/82/42/1171028242.db2.gz CLSCDPQLLVVEPG-UHFFFAOYSA-N -2 3 321.684 0.701 20 0 DCADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001609676498 1171063201 /nfs/dbraw/zinc/06/32/01/1171063201.db2.gz NDSQGFYHPPAYRI-UHFFFAOYSA-N -3 3 308.337 0.230 20 0 DCADHL CCC[C@@H](CCO)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609955160 1171127910 /nfs/dbraw/zinc/12/79/10/1171127910.db2.gz CATYRSCLAKKALQ-QMMMGPOBSA-N -2 3 322.408 0.918 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCN2CCOC2=O)c1 ZINC001610868257 1171345664 /nfs/dbraw/zinc/34/56/64/1171345664.db2.gz WMNQVPVHYVJBCV-UHFFFAOYSA-N -2 3 318.307 0.098 20 0 DCADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])o1 ZINC000315305795 1190407296 /nfs/dbraw/zinc/40/72/96/1190407296.db2.gz YIGRTNJZVWBOBA-UHFFFAOYSA-N -2 3 314.323 0.445 20 0 DCADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000315972198 1190412273 /nfs/dbraw/zinc/41/22/73/1190412273.db2.gz MXXWKDQFJQNUDC-AWEZNQCLSA-N -2 3 301.306 0.946 20 0 DCADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000315972198 1190412275 /nfs/dbraw/zinc/41/22/75/1190412275.db2.gz MXXWKDQFJQNUDC-AWEZNQCLSA-N -2 3 301.306 0.946 20 0 DCADHL CC(C)(C)n1cc(C(=O)C(=O)NCc2nc([O-])cc(=O)[n-]2)cn1 ZINC001168429694 750823339 /nfs/dbraw/zinc/82/33/39/750823339.db2.gz HJQMEKFSXZPAPX-UHFFFAOYSA-N -2 3 319.321 0.338 20 0 DCADHL Cc1nc(NCCOP(=O)([O-])[O-])cc(N2CCOCC2)n1 ZINC001168587414 752659207 /nfs/dbraw/zinc/65/92/07/752659207.db2.gz UKFYQVAEYMTYII-UHFFFAOYSA-N -2 3 318.270 0.143 20 0 DCADHL COC(=O)c1nc2ccc(NCCOP(=O)([O-])[O-])[n-]c-2n1 ZINC001168591832 752664668 /nfs/dbraw/zinc/66/46/68/752664668.db2.gz FEMCOUFTYJCLOX-UHFFFAOYSA-N -3 3 316.210 0.266 20 0 DCADHL COC(=O)c1nc2ccc(NCCOP(=O)([O-])[O-])nc2[n-]1 ZINC001168591832 752664675 /nfs/dbraw/zinc/66/46/75/752664675.db2.gz FEMCOUFTYJCLOX-UHFFFAOYSA-N -3 3 316.210 0.266 20 0 DCADHL COC(=O)c1nc2nc(NCCOP(=O)([O-])[O-])ccc2[n-]1 ZINC001168591832 752664683 /nfs/dbraw/zinc/66/46/83/752664683.db2.gz FEMCOUFTYJCLOX-UHFFFAOYSA-N -3 3 316.210 0.266 20 0 DCADHL COC(=O)[C@H](Cc1ccccc1)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934264 769500080 /nfs/dbraw/zinc/50/00/80/769500080.db2.gz IXIFKNQXDBDBQM-NSHDSACASA-N -2 3 314.301 0.809 20 0 DCADHL O=C(N[C@@H]1CO[N-]C1=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908308 769996035 /nfs/dbraw/zinc/99/60/35/769996035.db2.gz AQYFPTQVAHCAGN-SNVBAGLBSA-N -2 3 307.693 0.341 20 0 DCADHL O=CNc1nc(CC(=O)NCCCCP(=O)([O-])[O-])cs1 ZINC001178036814 770616285 /nfs/dbraw/zinc/61/62/85/770616285.db2.gz GZYQYGXBBPJODT-UHFFFAOYSA-N -2 3 321.295 0.328 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H](O)Cc1cccc(F)c1 ZINC001184150605 771748896 /nfs/dbraw/zinc/74/88/96/771748896.db2.gz PWSUMPPSKABHOV-LBPRGKRZSA-N -2 3 319.269 0.803 20 0 DCADHL O=S(=O)([N-]c1cccnn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566944 771929591 /nfs/dbraw/zinc/92/95/91/771929591.db2.gz XDBDQAHAIBQCCQ-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL O=S(=O)([N-]c1cccnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566944 771929593 /nfs/dbraw/zinc/92/95/93/771929593.db2.gz XDBDQAHAIBQCCQ-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL CCCCOC(=O)CNC(=O)NCCCCP(=O)([O-])[O-] ZINC001188298019 772281765 /nfs/dbraw/zinc/28/17/65/772281765.db2.gz USIQRMNCXFZEER-UHFFFAOYSA-N -2 3 310.287 0.587 20 0 DCADHL O=C(NCS(=O)(=O)[O-])c1ccc(Br)c(=O)[n-]1 ZINC001193163232 773020681 /nfs/dbraw/zinc/02/06/81/773020681.db2.gz UDBQGCHLSHEAKL-UHFFFAOYSA-N -2 3 311.113 0.125 20 0 DCADHL O=C(N=c1[n-]cnn2cccc12)c1cccc(OCCO)c1[O-] ZINC001193322092 773045530 /nfs/dbraw/zinc/04/55/30/773045530.db2.gz NCIYEUHCTOXIEM-UHFFFAOYSA-N -2 3 314.301 0.480 20 0 DCADHL CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254610 773356053 /nfs/dbraw/zinc/35/60/53/773356053.db2.gz NVERJLBOYPLZHI-YFKPBYRVSA-N -2 3 322.289 0.076 20 0 DCADHL COc1cccc(CS(=O)(=O)NCCP(=O)([O-])[O-])c1 ZINC001197397100 773738018 /nfs/dbraw/zinc/73/80/18/773738018.db2.gz FNGMRMUZNLRLSD-UHFFFAOYSA-N -2 3 309.280 0.292 20 0 DCADHL COC(=O)C([N-]S(=O)(=O)Cc1c(F)cccc1F)=C(C)[O-] ZINC001197622578 773771351 /nfs/dbraw/zinc/77/13/51/773771351.db2.gz JMCYVGUELKFPES-NSHDSACASA-N -2 3 321.301 0.515 20 0 DCADHL O=c1nc2nc(Br)[n-]c2c(OC2CC(O)C2)[n-]1 ZINC001218257494 774219166 /nfs/dbraw/zinc/21/91/66/774219166.db2.gz SVVMMGRNPFQGTQ-UHFFFAOYSA-N -2 3 301.100 0.723 20 0 DCADHL N[C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001218905241 774325149 /nfs/dbraw/zinc/32/51/49/774325149.db2.gz DCIGAQAHOCMKDA-LURJTMIESA-N -2 3 321.391 0.607 20 0 DCADHL N[C@@H](Cc1nn[n-]n1)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001218905241 774325156 /nfs/dbraw/zinc/32/51/56/774325156.db2.gz DCIGAQAHOCMKDA-LURJTMIESA-N -2 3 321.391 0.607 20 0 DCADHL CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566087 775985746 /nfs/dbraw/zinc/98/57/46/775985746.db2.gz FOPCMJJMQPUTDP-VIFPVBQESA-N -2 3 319.321 0.624 20 0 DCADHL CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227571628 775987513 /nfs/dbraw/zinc/98/75/13/775987513.db2.gz XISXSQGZMJJCFU-MRVPVSSYSA-N -2 3 310.310 0.837 20 0 DCADHL O=C([O-])c1csc([N-]S(=O)(=O)N2CCCOCC2)c1 ZINC001602563654 1169118096 /nfs/dbraw/zinc/11/80/96/1169118096.db2.gz AFPMICMUKPHZBY-UHFFFAOYSA-N -2 3 306.365 0.825 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC001602582353 1169125974 /nfs/dbraw/zinc/12/59/74/1169125974.db2.gz CRBQIJJVBMZNDY-UHFFFAOYSA-N -2 3 320.392 0.672 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001602587602 1169127866 /nfs/dbraw/zinc/12/78/66/1169127866.db2.gz ZBJGPGIYGHXBFW-PHDIDXHHSA-N -3 3 318.332 0.149 20 0 DCADHL O=C([N-]CC1CN(C(=O)c2ccc([O-])cn2)C1)C(F)(F)F ZINC001413458184 942992459 /nfs/dbraw/zinc/99/24/59/942992459.db2.gz GHPORMWKDSIGDE-UHFFFAOYSA-N -2 3 303.240 0.538 20 0 DCADHL C[S@](=O)CCCNC(=S)NCCCCP(=O)([O-])[O-] ZINC001246656979 945453721 /nfs/dbraw/zinc/45/37/21/945453721.db2.gz AHDBRBQUPSLJIC-SFHVURJKSA-N -2 3 316.385 0.177 20 0 DCADHL O=C([O-])Cn1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)n1 ZINC001602166816 971160582 /nfs/dbraw/zinc/16/05/82/971160582.db2.gz GLCWLKINSKMMLR-UHFFFAOYSA-N -2 3 305.246 0.654 20 0 DCADHL COc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001251957753 945824241 /nfs/dbraw/zinc/82/42/41/945824241.db2.gz 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O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCO1 ZINC000314799629 599945726 /nfs/dbraw/zinc/94/57/26/599945726.db2.gz DLLNPOBZJQOKCW-ZDUSSCGKSA-N -2 3 302.286 0.866 20 0 DCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1ccccc1C ZINC000737573534 600339571 /nfs/dbraw/zinc/33/95/71/600339571.db2.gz KQBMXDJTMBOSFL-LLVKDONJSA-N -2 3 315.347 0.431 20 0 DCADHL O=C([O-])C1(NC(=O)COC(=O)c2cncc([O-])c2)CCCCC1 ZINC000739321664 600371502 /nfs/dbraw/zinc/37/15/02/600371502.db2.gz IWQCPKWSOFEKRR-UHFFFAOYSA-N -2 3 322.317 0.848 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000833090253 600880014 /nfs/dbraw/zinc/88/00/14/600880014.db2.gz VLXATSLBUCTGPY-UHFFFAOYSA-N -2 3 310.310 0.377 20 0 DCADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000828692629 601219773 /nfs/dbraw/zinc/21/97/73/601219773.db2.gz KIWGOXYFGKLWMC-LBPRGKRZSA-N -2 3 319.335 0.906 20 0 DCADHL COC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000036909067 601229943 /nfs/dbraw/zinc/22/99/43/601229943.db2.gz KGYLBOWMHHWUHH-UHFFFAOYSA-N -2 3 323.273 0.504 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CC1 ZINC000776573645 601611865 /nfs/dbraw/zinc/61/18/65/601611865.db2.gz MCWVBRFUZCWLKQ-QMMMGPOBSA-N -2 3 321.786 0.914 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2CC[C@](F)(C(=O)[O-])C2)c(=O)[n-]1 ZINC000832994612 601716393 /nfs/dbraw/zinc/71/63/93/601716393.db2.gz NPJGEWPYXALAOE-CQSZACIVSA-N -2 3 311.313 0.757 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000825907772 601760185 /nfs/dbraw/zinc/76/01/85/601760185.db2.gz CILRCQVDYIWKEU-LLVKDONJSA-N -2 3 322.317 0.666 20 0 DCADHL COC(=O)[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C1CCCCC1 ZINC000831078882 601801608 /nfs/dbraw/zinc/80/16/08/601801608.db2.gz PIFMZNJKZOYVRL-ONGXEEELSA-N -2 3 321.395 0.748 20 0 DCADHL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1n[n-]c(SCCO)n1 ZINC000826807196 601881108 /nfs/dbraw/zinc/88/11/08/601881108.db2.gz NCYMGYUFYWEMHK-ZETCQYMHSA-N -2 3 317.371 0.510 20 0 DCADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000821546112 601881138 /nfs/dbraw/zinc/88/11/38/601881138.db2.gz ZCAZUWIVRHIMIC-UHFFFAOYSA-N -2 3 308.319 0.840 20 0 DCADHL O=C([O-])NC1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CC1 ZINC000832167785 604658841 /nfs/dbraw/zinc/65/88/41/604658841.db2.gz KJHVNLBQHZJJPC-UHFFFAOYSA-N -2 3 307.306 0.038 20 0 DCADHL CC(C)C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC000833483514 604882186 /nfs/dbraw/zinc/88/21/86/604882186.db2.gz KURMBHGGJBEQAT-LURJTMIESA-N -3 3 322.364 0.619 20 0 DCADHL CC(C)C(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694170778 605192181 /nfs/dbraw/zinc/19/21/81/605192181.db2.gz DUKNWJSESWBBNQ-UHFFFAOYSA-N -2 3 304.324 0.028 20 0 DCADHL CSc1nc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n[n-]1 ZINC000829783325 605284690 /nfs/dbraw/zinc/28/46/90/605284690.db2.gz JPRDBLKQVXDVKC-ZETCQYMHSA-N -2 3 315.355 0.624 20 0 DCADHL O=C([O-])N1CC[C@H](CCC(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000834077079 605534450 /nfs/dbraw/zinc/53/44/50/605534450.db2.gz ANMUUISWNIMXTN-JTQLQIEISA-N -2 3 320.349 0.847 20 0 DCADHL O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CN3CCN2CC3)c([O-])c1 ZINC000834257492 605666089 /nfs/dbraw/zinc/66/60/89/605666089.db2.gz NCGSKWHMBCTOGS-LLVKDONJSA-N -2 3 320.349 0.212 20 0 DCADHL NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000833982522 605667400 /nfs/dbraw/zinc/66/74/00/605667400.db2.gz LTYZDYPOPMYFHZ-ZETCQYMHSA-N -2 3 301.686 0.496 20 0 DCADHL O=C([O-])N1CC(C[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000834068332 605727004 /nfs/dbraw/zinc/72/70/04/605727004.db2.gz BRHISSZFHNTNND-UHFFFAOYSA-N -2 3 306.290 0.853 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)n1 ZINC000828699969 605727473 /nfs/dbraw/zinc/72/74/73/605727473.db2.gz OILRVOVMEKVSOA-MRVPVSSYSA-N -2 3 313.314 0.141 20 0 DCADHL COC(=O)Cc1nc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)n[n-]1 ZINC000828699969 605727476 /nfs/dbraw/zinc/72/74/76/605727476.db2.gz OILRVOVMEKVSOA-MRVPVSSYSA-N -2 3 313.314 0.141 20 0 DCADHL O=C([O-])N1CC(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000834069219 605727833 /nfs/dbraw/zinc/72/78/33/605727833.db2.gz SRJNNABVBCFNMG-UHFFFAOYSA-N -2 3 324.280 0.992 20 0 DCADHL O=C([O-])N1CC(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000834034943 605734198 /nfs/dbraw/zinc/73/41/98/605734198.db2.gz CZOHRIPNZGAIDY-UHFFFAOYSA-N -2 3 318.289 0.302 20 0 DCADHL O=C([O-])NC1(CC(=O)Nc2n[n-]c(SCCO)n2)CCC1 ZINC000834155449 605952048 /nfs/dbraw/zinc/95/20/48/605952048.db2.gz YDLUYCPTRLTJBI-UHFFFAOYSA-N -2 3 315.355 0.408 20 0 DCADHL NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000833984113 606013609 /nfs/dbraw/zinc/01/36/09/606013609.db2.gz MQDQLMVWOBPXGO-SSDOTTSWSA-N -2 3 301.686 0.496 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCC(=O)[O-] ZINC000820542615 606100040 /nfs/dbraw/zinc/10/00/40/606100040.db2.gz PGRYMZQUFFEXSY-MRVPVSSYSA-N -2 3 305.294 0.225 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCC(=O)[O-] ZINC000820542615 606100041 /nfs/dbraw/zinc/10/00/41/606100041.db2.gz PGRYMZQUFFEXSY-MRVPVSSYSA-N -2 3 305.294 0.225 20 0 DCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000822622607 606711009 /nfs/dbraw/zinc/71/10/09/606711009.db2.gz FITJOYBWRDFQNU-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820914933 607108401 /nfs/dbraw/zinc/10/84/01/607108401.db2.gz SHZQOJXWRDBMNG-PSASIEDQSA-N -2 3 319.321 0.613 20 0 DCADHL CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820914933 607108400 /nfs/dbraw/zinc/10/84/00/607108400.db2.gz SHZQOJXWRDBMNG-PSASIEDQSA-N -2 3 319.321 0.613 20 0 DCADHL C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820259886 607109840 /nfs/dbraw/zinc/10/98/40/607109840.db2.gz BXBCVJBEVPNOBC-RKDXNWHRSA-N -2 3 319.321 0.471 20 0 DCADHL C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820259886 607109842 /nfs/dbraw/zinc/10/98/42/607109842.db2.gz BXBCVJBEVPNOBC-RKDXNWHRSA-N -2 3 319.321 0.471 20 0 DCADHL O=S(=O)([N-]c1ncccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493359 609342522 /nfs/dbraw/zinc/34/25/22/609342522.db2.gz HGMHWBRJNOQRKD-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL O=S(=O)([N-]c1ncccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493359 609342524 /nfs/dbraw/zinc/34/25/24/609342524.db2.gz HGMHWBRJNOQRKD-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL Cn1cnc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC000861819532 666983185 /nfs/dbraw/zinc/98/31/85/666983185.db2.gz HGBBTNDWSNEFJR-UHFFFAOYSA-N -2 3 317.227 0.839 20 0 DCADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000863407267 667140136 /nfs/dbraw/zinc/14/01/36/667140136.db2.gz GAAHVPMJVQXHBQ-MRVPVSSYSA-N -2 3 324.717 0.585 20 0 DCADHL O=C(NCc1ccc([O-])c(Br)c1)c1cc(=O)[nH][n-]1 ZINC000768295823 668604800 /nfs/dbraw/zinc/60/48/00/668604800.db2.gz LPSYNZQHXMDPMC-UHFFFAOYSA-N -2 3 312.123 0.647 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C/C=C\C(=O)[O-])c(F)c1 ZINC000809225468 670443868 /nfs/dbraw/zinc/44/38/68/670443868.db2.gz NYXOXNJQUFCGNU-IHWYPQMZSA-N -2 3 317.294 0.531 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000837292208 671854907 /nfs/dbraw/zinc/85/49/07/671854907.db2.gz LVYYIAUWPIVXLA-RITPCOANSA-N -2 3 309.775 0.769 20 0 DCADHL CCn1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cn1 ZINC000066577362 685067841 /nfs/dbraw/zinc/06/78/41/685067841.db2.gz PQAOVYHEZWXSOK-UHFFFAOYSA-N -2 3 312.326 0.665 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCC1CCOCC1 ZINC000383531463 1158138748 /nfs/dbraw/zinc/13/87/48/1158138748.db2.gz AYULJPHMSFLALR-UHFFFAOYSA-N -2 3 303.340 0.203 20 0 DCADHL CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001573397641 1163424038 /nfs/dbraw/zinc/42/40/38/1163424038.db2.gz PAAOMNOMMRNOMR-KYZUINATSA-N -2 3 315.351 0.534 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001573624498 1163517397 /nfs/dbraw/zinc/51/73/97/1163517397.db2.gz CCTMGQAWORBMPF-LBPRGKRZSA-N -2 3 318.333 0.947 20 0 DCADHL C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573654624 1163522783 /nfs/dbraw/zinc/52/27/83/1163522783.db2.gz MNWZKUWMFWECJI-JGVFFNPUSA-N -2 3 303.340 0.059 20 0 DCADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])[C@@H](O)c1cccnc1 ZINC001574308426 1163692861 /nfs/dbraw/zinc/69/28/61/1163692861.db2.gz KTLDRCSKQLNHBE-STQMWFEESA-N -2 3 302.286 0.704 20 0 DCADHL C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nn(C)cc1[O-] ZINC001575326708 1163975823 /nfs/dbraw/zinc/97/58/23/1163975823.db2.gz MSIXVLVHYPGVNW-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nn(C)cc1[O-] ZINC001575326708 1163975828 /nfs/dbraw/zinc/97/58/28/1163975828.db2.gz MSIXVLVHYPGVNW-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL CC(C)(O)CO[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001589338686 1166649947 /nfs/dbraw/zinc/64/99/47/1166649947.db2.gz JECIMQDNXOPWGH-UHFFFAOYSA-N -2 3 307.310 0.064 20 0 DCADHL C[C@H](CN(C)c1nc2ncccc2cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589846608 1166698672 /nfs/dbraw/zinc/69/86/72/1166698672.db2.gz HBHRTUGTFDILGD-MRVPVSSYSA-N -2 3 313.321 0.967 20 0 DCADHL C[C@H](CN(C)c1nc2ncccc2cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589846608 1166698680 /nfs/dbraw/zinc/69/86/80/1166698680.db2.gz HBHRTUGTFDILGD-MRVPVSSYSA-N -2 3 313.321 0.967 20 0 DCADHL C[C@@H](C(=O)[O-])[C@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001589924151 1166721595 /nfs/dbraw/zinc/72/15/95/1166721595.db2.gz SHBJYKULQHPRAT-BDAKNGLRSA-N -2 3 319.321 0.471 20 0 DCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC(=O)[O-] ZINC001590023625 1166756221 /nfs/dbraw/zinc/75/62/21/1166756221.db2.gz WVNOHDOSSOQOMN-QMMMGPOBSA-N -2 3 305.294 0.225 20 0 DCADHL CC[C@@H](C(=O)[O-])N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001590371150 1166891550 /nfs/dbraw/zinc/89/15/50/1166891550.db2.gz RTPNQSRDDKKEAS-NSHDSACASA-N -2 3 319.321 0.567 20 0 DCADHL CCCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590585454 1166947024 /nfs/dbraw/zinc/94/70/24/1166947024.db2.gz FLLAHGAYOYXGKT-UHFFFAOYSA-N -2 3 324.366 0.647 20 0 DCADHL CCCCCC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590585454 1166947028 /nfs/dbraw/zinc/94/70/28/1166947028.db2.gz FLLAHGAYOYXGKT-UHFFFAOYSA-N -2 3 324.366 0.647 20 0 DCADHL CCO[N-]C(=O)CNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001590819376 1167030503 /nfs/dbraw/zinc/03/05/03/1167030503.db2.gz QSXBNYLJXAYJTK-UHFFFAOYSA-N -2 3 320.357 0.261 20 0 DCADHL CCO[N-]C(=O)CNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001590819376 1167030506 /nfs/dbraw/zinc/03/05/06/1167030506.db2.gz QSXBNYLJXAYJTK-UHFFFAOYSA-N -2 3 320.357 0.261 20 0 DCADHL CN(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)c1nncs1 ZINC001590992391 1167069567 /nfs/dbraw/zinc/06/95/67/1167069567.db2.gz KZMFJNYFVZYGDY-UHFFFAOYSA-N -2 3 303.307 0.700 20 0 DCADHL Cc1cc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592016730 1167435002 /nfs/dbraw/zinc/43/50/02/1167435002.db2.gz WXGKYBGEKHCUGK-RKDXNWHRSA-N -2 3 319.321 0.992 20 0 DCADHL Cc1cc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592016730 1167435004 /nfs/dbraw/zinc/43/50/04/1167435004.db2.gz WXGKYBGEKHCUGK-RKDXNWHRSA-N -2 3 319.321 0.992 20 0 DCADHL Cc1cc(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592016727 1167435245 /nfs/dbraw/zinc/43/52/45/1167435245.db2.gz WXGKYBGEKHCUGK-DTWKUNHWSA-N -2 3 319.321 0.992 20 0 DCADHL Cc1cc(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592016727 1167435251 /nfs/dbraw/zinc/43/52/51/1167435251.db2.gz WXGKYBGEKHCUGK-DTWKUNHWSA-N -2 3 319.321 0.992 20 0 DCADHL Cc1ccnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)c1 ZINC001592275446 1167482746 /nfs/dbraw/zinc/48/27/46/1167482746.db2.gz LXTFPCMDXQACQR-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ccnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)c1 ZINC001592275446 1167482749 /nfs/dbraw/zinc/48/27/49/1167482749.db2.gz LXTFPCMDXQACQR-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1csc(NC(=O)CSCC(=O)[O-])c1-c1nnn[n-]1 ZINC001592315815 1167484814 /nfs/dbraw/zinc/48/48/14/1167484814.db2.gz CCAVZLSNTKMOAD-UHFFFAOYSA-N -2 3 313.364 0.993 20 0 DCADHL Cc1csc(NC(=O)CSCC(=O)[O-])c1-c1nn[n-]n1 ZINC001592315815 1167484819 /nfs/dbraw/zinc/48/48/19/1167484819.db2.gz CCAVZLSNTKMOAD-UHFFFAOYSA-N -2 3 313.364 0.993 20 0 DCADHL Cc1nc(C(=O)NCCCCC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592347971 1167498810 /nfs/dbraw/zinc/49/88/10/1167498810.db2.gz CXLBCPRUWBEOED-UHFFFAOYSA-N -2 3 304.310 0.555 20 0 DCADHL Cc1nc(C(=O)NCCCCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592347971 1167498814 /nfs/dbraw/zinc/49/88/14/1167498814.db2.gz CXLBCPRUWBEOED-UHFFFAOYSA-N -2 3 304.310 0.555 20 0 DCADHL Cc1nc(N2CCO[C@@](C)(C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592372260 1167507736 /nfs/dbraw/zinc/50/77/36/1167507736.db2.gz BOXNXLFWWCBQMN-CYBMUJFWSA-N -2 3 304.310 0.250 20 0 DCADHL Cc1nc(N2CCO[C@@](C)(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592372260 1167507739 /nfs/dbraw/zinc/50/77/39/1167507739.db2.gz BOXNXLFWWCBQMN-CYBMUJFWSA-N -2 3 304.310 0.250 20 0 DCADHL Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(F)c2[O-])n1 ZINC001592559797 1167560956 /nfs/dbraw/zinc/56/09/56/1167560956.db2.gz FDWXCNFVIFLTFR-UHFFFAOYSA-N -2 3 303.257 0.697 20 0 DCADHL Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(F)c2[O-])n1 ZINC001592559797 1167560962 /nfs/dbraw/zinc/56/09/62/1167560962.db2.gz FDWXCNFVIFLTFR-UHFFFAOYSA-N -2 3 303.257 0.697 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1csc(-c2nnn[n-]2)c1 ZINC001593079964 1167700713 /nfs/dbraw/zinc/70/07/13/1167700713.db2.gz AXQXTAZCANZYLY-UHFFFAOYSA-N -2 3 320.338 0.115 20 0 DCADHL O=C([O-])CSCC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593278569 1167756484 /nfs/dbraw/zinc/75/64/84/1167756484.db2.gz MZLHXDCGQWNWMC-UHFFFAOYSA-N -2 3 321.362 0.343 20 0 DCADHL O=C([O-])CSCC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593278569 1167756488 /nfs/dbraw/zinc/75/64/88/1167756488.db2.gz MZLHXDCGQWNWMC-UHFFFAOYSA-N -2 3 321.362 0.343 20 0 DCADHL O=c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c[nH]1 ZINC001593445144 1167847223 /nfs/dbraw/zinc/84/72/23/1167847223.db2.gz LMXLUEDDEGASQO-UHFFFAOYSA-N -2 3 308.279 0.361 20 0 DCADHL O=c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c[nH]1 ZINC001593445144 1167847236 /nfs/dbraw/zinc/84/72/36/1167847236.db2.gz LMXLUEDDEGASQO-UHFFFAOYSA-N -2 3 308.279 0.361 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)n1 ZINC001600065375 1168110487 /nfs/dbraw/zinc/11/04/87/1168110487.db2.gz UBVBCFVGSNCQOM-JTQLQIEISA-N -2 3 322.365 0.640 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c1C(=O)[O-] ZINC001600463790 1168188469 /nfs/dbraw/zinc/18/84/69/1168188469.db2.gz QJIOZVAQWSCLKD-UHFFFAOYSA-N -2 3 312.307 0.626 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@H](C(=O)[O-])c2ccccn2)c(=O)[n-]1 ZINC001600690945 1168252414 /nfs/dbraw/zinc/25/24/14/1168252414.db2.gz KGZRGXOOMOPMAU-ZDUSSCGKSA-N -2 3 316.317 0.679 20 0 DCADHL Cn1cc(-c2ccc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)o2)cn1 ZINC001600923004 1168510344 /nfs/dbraw/zinc/51/03/44/1168510344.db2.gz QNNGTKQEKZGNNN-UHFFFAOYSA-N -2 3 316.277 0.678 20 0 DCADHL NC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCCC1 ZINC001601139269 1168596059 /nfs/dbraw/zinc/59/60/59/1168596059.db2.gz QMFHYKUIPYTWBY-UHFFFAOYSA-N -2 3 316.335 0.444 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCC(=O)NC1CC1 ZINC001601268873 1168685642 /nfs/dbraw/zinc/68/56/42/1168685642.db2.gz RFMYQSKTBCRMGG-UHFFFAOYSA-N -2 3 316.335 0.315 20 0 DCADHL O=C([O-])[C@H](CCC1OCCO1)NC(=O)c1cccc2n[n-]nc21 ZINC001601410917 1168736125 /nfs/dbraw/zinc/73/61/25/1168736125.db2.gz CIEMLXGXWGKTOZ-JTQLQIEISA-N -2 3 320.305 0.294 20 0 DCADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2ccc(F)cc2F)CCOC1 ZINC001601937482 1168940387 /nfs/dbraw/zinc/94/03/87/1168940387.db2.gz WLVHGRDMCDBPPL-GFCCVEGCSA-N -2 3 321.301 0.877 20 0 DCADHL O=C([O-])CCS(=O)(=O)[N-]c1cc2oc(=O)[nH]c2cc1F ZINC001602027451 1168971846 /nfs/dbraw/zinc/97/18/46/1168971846.db2.gz DKHIOSJZAZHBNF-UHFFFAOYSA-N -2 3 304.255 0.889 20 0 DCADHL O=C([O-])CSCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001602100102 1168990894 /nfs/dbraw/zinc/99/08/94/1168990894.db2.gz XKSKDLAOUKSZSN-UHFFFAOYSA-N -3 3 309.321 0.074 20 0 DCADHL O=C([O-])Cc1cccc(C(=O)Nc2n[n-]c(SCCO)n2)c1 ZINC001602135199 1169001956 /nfs/dbraw/zinc/00/19/56/1169001956.db2.gz WAJVZZSVOJUFTM-UHFFFAOYSA-N -2 3 322.346 0.769 20 0 DCADHL O=C([O-])[C@]12C[C@H]1C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C2 ZINC001602208035 1169031071 /nfs/dbraw/zinc/03/10/71/1169031071.db2.gz PYIFHQPOVMJIJK-YWVKMMECSA-N -2 3 322.408 0.336 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2F)o1 ZINC001602401075 1169072302 /nfs/dbraw/zinc/07/23/02/1169072302.db2.gz KNRQKWAUUCDECH-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL O=C([O-])c1ccn(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC001602477462 1169086067 /nfs/dbraw/zinc/08/60/67/1169086067.db2.gz VYUIKSLFACDTJI-MRVPVSSYSA-N -2 3 305.294 0.026 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC001602489155 1169091664 /nfs/dbraw/zinc/09/16/64/1169091664.db2.gz ULUBDCNFSRPHCJ-SNVBAGLBSA-N -2 3 303.336 0.807 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c1 ZINC001602556199 1169117293 /nfs/dbraw/zinc/11/72/93/1169117293.db2.gz CTHAHHVZYHXNGG-SCZZXKLOSA-N -2 3 303.336 0.807 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1ccc[nH]c1=O ZINC001602588822 1169127273 /nfs/dbraw/zinc/12/72/73/1169127273.db2.gz NMAREOIUJBTKAR-UHFFFAOYSA-N -2 3 315.332 0.420 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC001602587604 1169127409 /nfs/dbraw/zinc/12/74/09/1169127409.db2.gz ZBJGPGIYGHXBFW-WDSKDSINSA-N -3 3 318.332 0.149 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1ccc(F)cn1 ZINC001602588661 1169127467 /nfs/dbraw/zinc/12/74/67/1169127467.db2.gz GKRHNKDOSSKJQV-UHFFFAOYSA-N -2 3 317.323 0.854 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001602587603 1169127577 /nfs/dbraw/zinc/12/75/77/1169127577.db2.gz ZBJGPGIYGHXBFW-RITPCOANSA-N -3 3 318.332 0.149 20 0 DCADHL O=C([O-])C1(O)CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001602625282 1169133630 /nfs/dbraw/zinc/13/36/30/1169133630.db2.gz YKLIVUQXMZQYRR-UHFFFAOYSA-N -2 3 307.306 0.111 20 0 DCADHL CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001603525782 1169319446 /nfs/dbraw/zinc/31/94/46/1169319446.db2.gz XTJZJSCVTXTJAU-SSDOTTSWSA-N -2 3 308.381 0.527 20 0 DCADHL C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1nn(C)cc1[O-] ZINC001603648345 1169341332 /nfs/dbraw/zinc/34/13/32/1169341332.db2.gz FSJMSTUMKZBCQE-LURJTMIESA-N -2 3 303.282 0.390 20 0 DCADHL C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1nn(C)cc1[O-] ZINC001603648345 1169341343 /nfs/dbraw/zinc/34/13/43/1169341343.db2.gz FSJMSTUMKZBCQE-LURJTMIESA-N -2 3 303.282 0.390 20 0 DCADHL CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603907400 1169429457 /nfs/dbraw/zinc/42/94/57/1169429457.db2.gz DTBXUPMITWMUGB-QMMMGPOBSA-N -2 3 319.335 0.844 20 0 DCADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001605204640 1169869895 /nfs/dbraw/zinc/86/98/95/1169869895.db2.gz SEIPVJZALRSETI-LBPRGKRZSA-N -2 3 319.335 0.988 20 0 DCADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001605290617 1169887824 /nfs/dbraw/zinc/88/78/24/1169887824.db2.gz RXESLJMBISCTTE-QMMMGPOBSA-N -3 3 305.308 0.900 20 0 DCADHL CCN1CC[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605475880 1169933611 /nfs/dbraw/zinc/93/36/11/1169933611.db2.gz UFPQOAJEGGRDPQ-SSDOTTSWSA-N -2 3 305.381 0.214 20 0 DCADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)o1 ZINC001605979695 1170041064 /nfs/dbraw/zinc/04/10/64/1170041064.db2.gz YVQJVOWAVWAMPS-UHFFFAOYSA-N -2 3 310.295 0.235 20 0 DCADHL CN1CC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001606219504 1170119979 /nfs/dbraw/zinc/11/99/79/1170119979.db2.gz LWCONPBGCHDTHN-MRVPVSSYSA-N -2 3 320.317 0.645 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCC(=O)OC(C)C)oc1C(=O)[O-] ZINC001607707983 1170499454 /nfs/dbraw/zinc/49/94/54/1170499454.db2.gz YINJIFWJVVEODP-UHFFFAOYSA-N -2 3 319.335 0.906 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCOCC(C)C)c1C(=O)[O-] ZINC001607938749 1170528844 /nfs/dbraw/zinc/52/88/44/1170528844.db2.gz WSRJLCZRYCQWKN-UHFFFAOYSA-N -2 3 319.383 0.757 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c(=O)[n-]1 ZINC001607947332 1170531966 /nfs/dbraw/zinc/53/19/66/1170531966.db2.gz LAGMFSBYIMBSMU-PWSUYJOCSA-N -2 3 323.349 0.480 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC001607987817 1170540002 /nfs/dbraw/zinc/54/00/02/1170540002.db2.gz XOVBXXPJSDOATC-DTWKUNHWSA-N -2 3 320.392 0.467 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)c1cccc2n[n-]nc21)[C@H]1CCOC1 ZINC001608418279 1170674973 /nfs/dbraw/zinc/67/49/73/1170674973.db2.gz RWSBXEODDSYOKQ-WPRPVWTQSA-N -2 3 304.306 0.425 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)c1 ZINC001608990601 1170781928 /nfs/dbraw/zinc/78/19/28/1170781928.db2.gz GPSXBDPLGDGQJB-SECBINFHSA-N -2 3 311.319 0.468 20 0 DCADHL O=C([O-])[C@H](CCF)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609566584 1171023291 /nfs/dbraw/zinc/02/32/91/1171023291.db2.gz QBAXNPJSWFKWIT-VIFPVBQESA-N -2 3 308.273 0.801 20 0 DCADHL O=C([O-])[C@H](CCF)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609566584 1171023296 /nfs/dbraw/zinc/02/32/96/1171023296.db2.gz QBAXNPJSWFKWIT-VIFPVBQESA-N -2 3 308.273 0.801 20 0 DCADHL CCCC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001609960919 1171127536 /nfs/dbraw/zinc/12/75/36/1171127536.db2.gz BWKIKJOVPGZICX-ZCFIWIBFSA-N -3 3 322.364 0.763 20 0 DCADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c[n-]n2c1nccc2=O ZINC001627306389 1171503601 /nfs/dbraw/zinc/50/36/01/1171503601.db2.gz PFESCOMYVLCIHV-UHFFFAOYSA-N -2 3 322.288 0.455 20 0 DCADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c[n-]n2c1nccc2=O ZINC001627306389 1171503606 /nfs/dbraw/zinc/50/36/06/1171503606.db2.gz PFESCOMYVLCIHV-UHFFFAOYSA-N -2 3 322.288 0.455 20 0 DCADHL COC[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1nn[n-]n1 ZINC001634620956 1171679708 /nfs/dbraw/zinc/67/97/08/1171679708.db2.gz AQDRZWNOURALCD-SNVBAGLBSA-N -2 3 314.305 0.571 20 0 DCADHL CC(C)Cn1[n-]c(CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1=O ZINC001638204699 1171792391 /nfs/dbraw/zinc/79/23/91/1171792391.db2.gz KFMFHXGGHIURJU-UHFFFAOYSA-N -2 3 321.381 0.147 20 0 DCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1c[n-][nH]c1=O ZINC001651044834 1173739382 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CO[C@@H](C)CS(=O)(=O)[N-]Cc1nc(C)c(C(=O)[O-])s1 ZINC000646037385 417856846 /nfs/dbraw/zinc/85/68/46/417856846.db2.gz LAXMDVVTISZBTK-LURJTMIESA-N -2 3 308.381 0.604 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000645992793 417842944 /nfs/dbraw/zinc/84/29/44/417842944.db2.gz BKQPLRCVXBJZSZ-ADEWGFFLSA-N -2 3 319.342 0.725 20 0 DCADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2ncn(C(C)C)n2)co1 ZINC000652727492 417958395 /nfs/dbraw/zinc/95/83/95/417958395.db2.gz UJZDBDKNIQMYEF-UHFFFAOYSA-N -2 3 313.339 0.612 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000647248315 418003156 /nfs/dbraw/zinc/00/31/56/418003156.db2.gz NDYSFFWTGPWYOM-OAHLLOKOSA-N -2 3 302.286 0.507 20 0 DCADHL CCc1nc(S(=O)(=O)[N-][C@@H](CC)C(=O)[O-])cn1CC1CC1 ZINC000663253258 418004904 /nfs/dbraw/zinc/00/49/04/418004904.db2.gz RTRUMORJNVAMDZ-JTQLQIEISA-N -2 3 315.395 0.997 20 0 DCADHL O=C([O-])[C@@]1(C(=O)N2CCc3nc[n-]c(=O)c3C2)CC=CCC1 ZINC000653288005 418053162 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CC(C)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000656232140 418338249 /nfs/dbraw/zinc/33/82/49/418338249.db2.gz WEMVVEVHOKYYHJ-LLVKDONJSA-N -2 3 304.302 0.657 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)cn1C ZINC000656722796 418373347 /nfs/dbraw/zinc/37/33/47/418373347.db2.gz BZPMTQKWONGBGC-JTQLQIEISA-N -2 3 301.368 0.508 20 0 DCADHL COCCN(CC(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000390414548 262160164 /nfs/dbraw/zinc/16/01/64/262160164.db2.gz XHWJXCOPKPEAHS-UHFFFAOYSA-N -2 3 321.289 0.135 20 0 DCADHL C[C@@H](C(=O)[O-])C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000520405623 272518724 /nfs/dbraw/zinc/51/87/24/272518724.db2.gz PCWPKTYHEBYSEC-NXSYQRQQSA-N -2 3 305.290 0.400 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)CC(=O)[O-] ZINC000530541149 272745254 /nfs/dbraw/zinc/74/52/54/272745254.db2.gz HTPYFVXWSSJQNR-QMMMGPOBSA-N -2 3 308.743 0.503 20 0 DCADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2c[nH]cn2)C(=O)[O-])c1 ZINC000547883960 288088559 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COc1cccc(OC)c1S(=O)(=O)[N-][C@H](CF)C(=O)[O-] ZINC000580548119 341874623 /nfs/dbraw/zinc/87/46/23/341874623.db2.gz FIOZCAZDBSRKBS-SSDOTTSWSA-N -2 3 307.299 0.405 20 0 DCADHL CN(CCC(=O)[O-])C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000262744958 522684926 /nfs/dbraw/zinc/68/49/26/522684926.db2.gz HMVOIVSZMGFZBU-OAHLLOKOSA-N -2 3 319.317 0.288 20 0 DCADHL CCc1cc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)ccc1[O-] ZINC000365981323 523757395 /nfs/dbraw/zinc/75/73/95/523757395.db2.gz NNXKMWHRZKAIDD-GFCCVEGCSA-N -2 3 303.322 0.681 20 0 DCADHL Cc1cc(C(=O)N(C)CCN(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000267877122 526219795 /nfs/dbraw/zinc/21/97/95/526219795.db2.gz MZLJXVZCYIFWHQ-UHFFFAOYSA-N -2 3 305.338 0.378 20 0 DCADHL COc1ccc(C(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c([O-])c1 ZINC000283734193 536722485 /nfs/dbraw/zinc/72/24/85/536722485.db2.gz OINOITWJRMONTB-VIFPVBQESA-N -2 3 318.333 0.832 20 0 DCADHL COCC[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000681565938 548264289 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C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820402777 599553270 /nfs/dbraw/zinc/55/32/70/599553270.db2.gz FWPXUCZKZBFBFW-LURJTMIESA-N -2 3 300.282 0.181 20 0 DCADHL CC(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000037048770 599767251 /nfs/dbraw/zinc/76/72/51/599767251.db2.gz BBSRNJJPNOFSPM-UHFFFAOYSA-N -2 3 316.335 0.267 20 0 DCADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC ZINC000736862953 599776729 /nfs/dbraw/zinc/77/67/29/599776729.db2.gz HGEZTIMDRHOAOU-NSHDSACASA-N -2 3 305.308 0.598 20 0 DCADHL CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737132243 599777959 /nfs/dbraw/zinc/77/79/59/599777959.db2.gz JLEHMJURTZNKHQ-UHFFFAOYSA-N -2 3 305.308 0.598 20 0 DCADHL Cc1nc(C)c(CCC(=O)Nc2cnn(CC(=O)[O-])c2)c(=O)[n-]1 ZINC000320980947 600526123 /nfs/dbraw/zinc/52/61/23/600526123.db2.gz LHLYLKJFTFQFBM-UHFFFAOYSA-N -2 3 319.321 0.651 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000833027171 601223415 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CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000828879800 602209976 /nfs/dbraw/zinc/20/99/76/602209976.db2.gz PCZYNFKGAQWZRR-SECBINFHSA-N -2 3 305.352 0.973 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])n1 ZINC000737631990 603208229 /nfs/dbraw/zinc/20/82/29/603208229.db2.gz ZNPCKJQPYDBVFD-SSDOTTSWSA-N -2 3 313.314 0.141 20 0 DCADHL COC(=O)Cc1nc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])n[n-]1 ZINC000737631990 603208231 /nfs/dbraw/zinc/20/82/31/603208231.db2.gz ZNPCKJQPYDBVFD-SSDOTTSWSA-N -2 3 313.314 0.141 20 0 DCADHL C[C@@H](CNC(=O)[O-])N(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000824961220 603548712 /nfs/dbraw/zinc/54/87/12/603548712.db2.gz YRKIPUXALFPWHF-VIFPVBQESA-N -2 3 309.322 0.237 20 0 DCADHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000826125364 603578349 /nfs/dbraw/zinc/57/83/49/603578349.db2.gz HHKASEZVTKXXAF-CBAPKCEASA-N -2 3 306.326 0.642 20 0 DCADHL Cc1nc(C)c(CC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)c(=O)[n-]1 ZINC000830716709 603762161 /nfs/dbraw/zinc/76/21/61/603762161.db2.gz WOYNQTQFPDQVIR-NSHDSACASA-N -2 3 323.305 0.206 20 0 DCADHL O=C([O-])Nc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c([O-])c1 ZINC000832832955 603943193 /nfs/dbraw/zinc/94/31/93/603943193.db2.gz DXIVXQHWTYWOHX-UHFFFAOYSA-N -3 3 321.293 0.668 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1CN(C(=O)[O-])C1 ZINC000740246866 604412861 /nfs/dbraw/zinc/41/28/61/604412861.db2.gz RPRQXUHIYGTWEC-UHFFFAOYSA-N -2 3 308.747 0.022 20 0 DCADHL CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000830978658 604506154 /nfs/dbraw/zinc/50/61/54/604506154.db2.gz GDURNYFCPITXRN-JTQLQIEISA-N -2 3 318.351 0.335 20 0 DCADHL CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000833699698 605211476 /nfs/dbraw/zinc/21/14/76/605211476.db2.gz VXLMATDBGUZCNA-VIFPVBQESA-N -2 3 304.324 0.027 20 0 DCADHL CC(C)N(CC(=O)[O-])C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820116371 607102280 /nfs/dbraw/zinc/10/22/80/607102280.db2.gz JDCSLLILELXCPW-UHFFFAOYSA-N -2 3 319.321 0.567 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825029744 608039473 /nfs/dbraw/zinc/03/94/73/608039473.db2.gz YTVLRUNBRSCEGB-OQFOIZHKSA-N -2 3 321.362 0.779 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825029744 608039474 /nfs/dbraw/zinc/03/94/74/608039474.db2.gz YTVLRUNBRSCEGB-OQFOIZHKSA-N -2 3 321.362 0.779 20 0 DCADHL C[C@@H](NC(=O)N(C)CC(=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824490402 609149869 /nfs/dbraw/zinc/14/98/69/609149869.db2.gz OURXDHBEMOZONX-MRVPVSSYSA-N -2 3 304.310 0.654 20 0 DCADHL COC(=O)c1ccccc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000047215112 661525508 /nfs/dbraw/zinc/52/55/08/661525508.db2.gz OCOBPMOPDUQIOC-UHFFFAOYSA-N -2 3 300.336 0.439 20 0 DCADHL O=C(NC1CN(C(=O)c2ncccc2[O-])C1)c1ncccc1[O-] ZINC000990968345 663393948 /nfs/dbraw/zinc/39/39/48/663393948.db2.gz GIMUZWJUEJVZDP-UHFFFAOYSA-N -2 3 314.301 0.142 20 0 DCADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000863406968 667140103 /nfs/dbraw/zinc/14/01/03/667140103.db2.gz BTDKUXSPYSDFPC-SNVBAGLBSA-N -2 3 321.301 0.984 20 0 DCADHL CO[N-]C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000746113618 667861975 /nfs/dbraw/zinc/86/19/75/667861975.db2.gz IOLQPTUTYBLZLT-UHFFFAOYSA-N -2 3 317.367 0.560 20 0 DCADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000774895026 668849766 /nfs/dbraw/zinc/84/97/66/668849766.db2.gz BMPRBEMLAQNXRO-UHFFFAOYSA-N -2 3 312.307 0.239 20 0 DCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@H]1CCOC1 ZINC000776503157 668876944 /nfs/dbraw/zinc/87/69/44/668876944.db2.gz NFNQERAKQAGURJ-CBAPKCEASA-N -2 3 320.754 0.503 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])nc1Cl ZINC000776633511 668879560 /nfs/dbraw/zinc/87/95/60/668879560.db2.gz FRPVLWKZLMVPJY-RDDDGLTNSA-N -2 3 321.786 0.995 20 0 DCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccco1)[C@H](O)c1ccccc1 ZINC000790615241 669562451 /nfs/dbraw/zinc/56/24/51/669562451.db2.gz HAUSTEQEFFNSKJ-VXGBXAGGSA-N -2 3 311.315 0.745 20 0 DCADHL Cc1cccc([O-])c1[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000882708927 669570968 /nfs/dbraw/zinc/57/09/68/669570968.db2.gz NRPCIESKHLRBIE-GOSISDBHSA-N -2 3 307.397 0.932 20 0 DCADHL CCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000796776713 669942224 /nfs/dbraw/zinc/94/22/24/669942224.db2.gz KOLNXPCRYCKBOS-UHFFFAOYSA-N -2 3 324.355 0.412 20 0 DCADHL O=C([N-]S(=O)(=O)C1CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826449904 671488557 /nfs/dbraw/zinc/48/85/57/671488557.db2.gz OEXRKROFMWJSIT-UHFFFAOYSA-N -2 3 324.366 0.587 20 0 DCADHL O=C([N-]S(=O)(=O)C1CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449904 671488559 /nfs/dbraw/zinc/48/85/59/671488559.db2.gz OEXRKROFMWJSIT-UHFFFAOYSA-N -2 3 324.366 0.587 20 0 DCADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837293306 671855626 /nfs/dbraw/zinc/85/56/26/671855626.db2.gz FNZADTSDZJTNRN-DJLDLDEBSA-N -2 3 311.331 0.060 20 0 DCADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCOC1 ZINC000844802116 672204269 /nfs/dbraw/zinc/20/42/69/672204269.db2.gz VWAOYGYIGXBKFG-SNVBAGLBSA-N -2 3 324.717 0.396 20 0 DCADHL C[C@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1nc(C(F)(F)F)n[n-]1 ZINC001573611054 1163515671 /nfs/dbraw/zinc/51/56/71/1163515671.db2.gz HJQPQRQNGQVLDO-UCORVYFPSA-N -2 3 321.215 0.230 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1cc(C(=O)[O-])cnc1C ZINC001573625739 1163517011 /nfs/dbraw/zinc/51/70/11/1163517011.db2.gz LABLINUXRUSKOY-SNVBAGLBSA-N -2 3 319.321 0.722 20 0 DCADHL CCC[C@@H](C(=O)[O-])S(=O)(=O)[N-]C1(c2nc(C)no2)CC1 ZINC001573723945 1163540981 /nfs/dbraw/zinc/54/09/81/1163540981.db2.gz ALDVLGVGBRHULL-QMMMGPOBSA-N -2 3 303.340 0.540 20 0 DCADHL CCOC(=O)c1nc(CNCc2cccc(C(=O)[O-])n2)n[n-]1 ZINC001573793283 1163555816 /nfs/dbraw/zinc/55/58/16/1163555816.db2.gz FCHGPSZZKREGMF-UHFFFAOYSA-N -2 3 305.294 0.364 20 0 DCADHL CCOC(=O)c1nnc(CNCc2cccc(C(=O)[O-])n2)[n-]1 ZINC001573793283 1163555824 /nfs/dbraw/zinc/55/58/24/1163555824.db2.gz FCHGPSZZKREGMF-UHFFFAOYSA-N -2 3 305.294 0.364 20 0 DCADHL CCOC(=O)c1n[n-]c(CNCc2cccc(C(=O)[O-])n2)n1 ZINC001573793283 1163555832 /nfs/dbraw/zinc/55/58/32/1163555832.db2.gz FCHGPSZZKREGMF-UHFFFAOYSA-N -2 3 305.294 0.364 20 0 DCADHL CCOC(=O)c1cc(NC(=O)[C@H]2CSCN2C(=O)[O-])[n-]n1 ZINC001573794503 1163556954 /nfs/dbraw/zinc/55/69/54/1163556954.db2.gz ZKEZRSNQAMRPGL-SSDOTTSWSA-N -2 3 314.323 0.578 20 0 DCADHL CCOC(=O)c1cc(NC(=O)[C@H]2CSCN2C(=O)[O-])n[n-]1 ZINC001573794503 1163556959 /nfs/dbraw/zinc/55/69/59/1163556959.db2.gz ZKEZRSNQAMRPGL-SSDOTTSWSA-N -2 3 314.323 0.578 20 0 DCADHL CSC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC001574096205 1163634377 /nfs/dbraw/zinc/63/43/77/1163634377.db2.gz BGTNXCZJQTVVTQ-SECBINFHSA-N -2 3 307.331 0.881 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c1C(=O)[O-] ZINC001574181711 1163653946 /nfs/dbraw/zinc/65/39/46/1163653946.db2.gz FDWZYFLHIMQIGB-MRVPVSSYSA-N -2 3 315.351 0.406 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)c2cnccn2)c1C(=O)[O-] ZINC001574182335 1163655800 /nfs/dbraw/zinc/65/58/00/1163655800.db2.gz MIQDGQWBILOZPK-LURJTMIESA-N -2 3 311.323 0.246 20 0 DCADHL Cc1noc(C2([N-]S(=O)(=O)C3(CC(=O)[O-])CC3)CC2)n1 ZINC001574196688 1163659314 /nfs/dbraw/zinc/65/93/14/1163659314.db2.gz ASBMWSKSIVTMSW-UHFFFAOYSA-N -2 3 301.324 0.294 20 0 DCADHL O=C([O-])c1ccccc1NC(=O)CN1CC[C@H](c2nnn[n-]2)C1 ZINC001574299332 1163689666 /nfs/dbraw/zinc/68/96/66/1163689666.db2.gz DUKYQILBBQLJBB-VIFPVBQESA-N -2 3 316.321 0.326 20 0 DCADHL O=C([O-])c1ccccc1NC(=O)CN1CC[C@H](c2nn[n-]n2)C1 ZINC001574299332 1163689669 /nfs/dbraw/zinc/68/96/69/1163689669.db2.gz DUKYQILBBQLJBB-VIFPVBQESA-N -2 3 316.321 0.326 20 0 DCADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(=O)n(C)[n-]1 ZINC001579969558 1165454068 /nfs/dbraw/zinc/45/40/68/1165454068.db2.gz LEZPOEZASLPXJG-UHFFFAOYSA-N -2 3 315.293 0.567 20 0 DCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(=O)n(C)[n-]1 ZINC001579969558 1165454071 /nfs/dbraw/zinc/45/40/71/1165454071.db2.gz LEZPOEZASLPXJG-UHFFFAOYSA-N -2 3 315.293 0.567 20 0 DCADHL Cc1[n-]n(-c2cc(-c3nnn[n-]3)cc(Cl)n2)c(=O)c1CCO ZINC001590162519 1166792197 /nfs/dbraw/zinc/79/21/97/1166792197.db2.gz XJCSWEQVVKPICH-QMMMGPOBSA-N -2 3 321.728 0.636 20 0 DCADHL Cc1[n-]n(-c2cc(-c3nn[n-]n3)cc(Cl)n2)c(=O)c1CCO ZINC001590162519 1166792201 /nfs/dbraw/zinc/79/22/01/1166792201.db2.gz XJCSWEQVVKPICH-QMMMGPOBSA-N -2 3 321.728 0.636 20 0 DCADHL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590216803 1166817619 /nfs/dbraw/zinc/81/76/19/1166817619.db2.gz ZLDHFRSPKBPMTD-KCJUWKMLSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590216803 1166817627 /nfs/dbraw/zinc/81/76/27/1166817627.db2.gz ZLDHFRSPKBPMTD-KCJUWKMLSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C(=O)[O-] ZINC001590261415 1166830254 /nfs/dbraw/zinc/83/02/54/1166830254.db2.gz PKSDCPACYRLSRO-OIBJUYFYSA-N -2 3 304.310 0.520 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590394036 1166897285 /nfs/dbraw/zinc/89/72/85/1166897285.db2.gz SFVWBQZDKWDQNG-QMMMGPOBSA-N -2 3 309.351 0.718 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590394036 1166897288 /nfs/dbraw/zinc/89/72/88/1166897288.db2.gz SFVWBQZDKWDQNG-QMMMGPOBSA-N -2 3 309.351 0.718 20 0 DCADHL CCn1ccc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001590957884 1167059206 /nfs/dbraw/zinc/05/92/06/1167059206.db2.gz BLXHAZLUZGEPGE-UHFFFAOYSA-N -2 3 313.321 0.736 20 0 DCADHL CCn1ccc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001590957884 1167059208 /nfs/dbraw/zinc/05/92/08/1167059208.db2.gz BLXHAZLUZGEPGE-UHFFFAOYSA-N -2 3 313.321 0.736 20 0 DCADHL COCCCO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001591417260 1167274654 /nfs/dbraw/zinc/27/46/54/1167274654.db2.gz QUEQKGUYTOHVNJ-UHFFFAOYSA-N -2 3 306.326 0.363 20 0 DCADHL CO[N-]C(=O)CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001591466462 1167300268 /nfs/dbraw/zinc/30/02/68/1167300268.db2.gz NECCSQRZCPTMBB-UHFFFAOYSA-N -2 3 316.243 0.975 20 0 DCADHL CO[N-]C(=O)CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001591466462 1167300273 /nfs/dbraw/zinc/30/02/73/1167300273.db2.gz NECCSQRZCPTMBB-UHFFFAOYSA-N -2 3 316.243 0.975 20 0 DCADHL CSc1nc(CNc2nccnc2-c2nnn[n-]2)cc(=O)[n-]1 ZINC001591716146 1167361033 /nfs/dbraw/zinc/36/10/33/1167361033.db2.gz JTMOZNNGLKJIDM-UHFFFAOYSA-N -2 3 317.338 0.486 20 0 DCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001591752193 1167366828 /nfs/dbraw/zinc/36/68/28/1167366828.db2.gz BRUKMYAYOOKQDJ-GLEZIHRCSA-N -2 3 313.317 0.820 20 0 DCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001591752256 1167367545 /nfs/dbraw/zinc/36/75/45/1167367545.db2.gz GIJJDQHZXBRJAX-PSLIRLAXSA-N -2 3 315.333 0.636 20 0 DCADHL Cc1cnc(C(=O)NOc2cccc(-c3nnn[n-]3)c2)c([O-])c1 ZINC001592291324 1167484587 /nfs/dbraw/zinc/48/45/87/1167484587.db2.gz HWNFMAMUIDZESE-UHFFFAOYSA-N -2 3 312.289 1.000 20 0 DCADHL Cc1ncccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592417005 1167517661 /nfs/dbraw/zinc/51/76/61/1167517661.db2.gz MAJWPEQXMARKSU-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ncccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592417005 1167517664 /nfs/dbraw/zinc/51/76/64/1167517664.db2.gz MAJWPEQXMARKSU-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2ccccn2)cc1-c1nnn[n-]1 ZINC001592414908 1167518371 /nfs/dbraw/zinc/51/83/71/1167518371.db2.gz OXXVZLWQDYAOQE-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2ccccn2)cc1-c1nn[n-]n1 ZINC001592414908 1167518376 /nfs/dbraw/zinc/51/83/76/1167518376.db2.gz OXXVZLWQDYAOQE-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1onc(CC(=O)[N-]OCCOC(C)C)c1-c1nnn[n-]1 ZINC001592516480 1167547460 /nfs/dbraw/zinc/54/74/60/1167547460.db2.gz NSPNCFCWZFTPIU-UHFFFAOYSA-N -2 3 310.314 0.178 20 0 DCADHL Cc1onc(CC(=O)[N-]OCCOC(C)C)c1-c1nn[n-]n1 ZINC001592516480 1167547465 /nfs/dbraw/zinc/54/74/65/1167547465.db2.gz NSPNCFCWZFTPIU-UHFFFAOYSA-N -2 3 310.314 0.178 20 0 DCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C1=NC(=O)SC1 ZINC001593171303 1167729755 /nfs/dbraw/zinc/72/97/55/1167729755.db2.gz YVJKLFWMXIQNEH-UHFFFAOYSA-N -2 3 304.291 0.753 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C1=NC(=O)SC1 ZINC001593171303 1167729760 /nfs/dbraw/zinc/72/97/60/1167729760.db2.gz YVJKLFWMXIQNEH-UHFFFAOYSA-N -2 3 304.291 0.753 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@]12CCOC2 ZINC001593170709 1167730063 /nfs/dbraw/zinc/73/00/63/1167730063.db2.gz LRVKEDBKTJRPLB-BXUZGUMPSA-N -2 3 301.306 0.703 20 0 DCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001593278694 1167755364 /nfs/dbraw/zinc/75/53/64/1167755364.db2.gz UJMIBDOFBSPFCK-UHFFFAOYSA-N -2 3 323.334 0.104 20 0 DCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001593278694 1167755371 /nfs/dbraw/zinc/75/53/71/1167755371.db2.gz UJMIBDOFBSPFCK-UHFFFAOYSA-N -2 3 323.334 0.104 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001593278923 1167755389 /nfs/dbraw/zinc/75/53/89/1167755389.db2.gz HGIHTKAGPPRYBJ-DTORHVGOSA-N -2 3 323.334 0.008 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001593278923 1167755398 /nfs/dbraw/zinc/75/53/98/1167755398.db2.gz HGIHTKAGPPRYBJ-DTORHVGOSA-N -2 3 323.334 0.008 20 0 DCADHL Cc1cc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])ncn1 ZINC001600210244 1168138800 /nfs/dbraw/zinc/13/88/00/1168138800.db2.gz MIVMMBAOWHLWCK-UHFFFAOYSA-N -2 3 314.348 0.418 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CC[C@H]2O3)oc1C(=O)[O-] ZINC001600300572 1168161710 /nfs/dbraw/zinc/16/17/10/1168161710.db2.gz ZNCKMQUSZHCXTJ-DJLDLDEBSA-N -2 3 301.320 0.884 20 0 DCADHL Cc1ccc(-c2nc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)n[n-]2)o1 ZINC001600320328 1168165528 /nfs/dbraw/zinc/16/55/28/1168165528.db2.gz UVXGEPJMFNLIOG-BDAKNGLRSA-N -2 3 306.278 0.944 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c1C(=O)[O-] ZINC001600673488 1168243699 /nfs/dbraw/zinc/24/36/99/1168243699.db2.gz GDOMEUIKPUPWSR-ZCFIWIBFSA-N -3 3 319.339 0.196 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C)C2)c1C(=O)[O-] ZINC001600672879 1168243918 /nfs/dbraw/zinc/24/39/18/1168243918.db2.gz JPQGBLLSHXRKPI-POYBYMJQSA-N -2 3 303.340 0.262 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)c1C(=O)[O-] ZINC001600673302 1168245216 /nfs/dbraw/zinc/24/52/16/1168245216.db2.gz FFBTYFQVASRQLD-QMMMGPOBSA-N -2 3 317.367 0.652 20 0 DCADHL Cc1noc(C2([N-]S(=O)(=O)CC3(C(=O)[O-])CC3)CC2)n1 ZINC001600810789 1168320499 /nfs/dbraw/zinc/32/04/99/1168320499.db2.gz HKAOMUVXEKBSRN-UHFFFAOYSA-N -2 3 301.324 0.151 20 0 DCADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1cccc2n[n-]nc21 ZINC001601411263 1168736410 /nfs/dbraw/zinc/73/64/10/1168736410.db2.gz FMWZMWIRARDTKC-CABZTGNLSA-N -2 3 318.333 0.958 20 0 DCADHL O=C([O-])CC1CC(NC(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC001601944533 1168944300 /nfs/dbraw/zinc/94/43/00/1168944300.db2.gz JNLNCXMINIHMOR-UHFFFAOYSA-N -2 3 322.325 0.072 20 0 DCADHL O=C([O-])CNC(=O)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001602069685 1168985733 /nfs/dbraw/zinc/98/57/33/1168985733.db2.gz XHPAWXLSRXZTSN-UHFFFAOYSA-N -2 3 302.286 0.476 20 0 DCADHL O=C([O-])[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001602200943 1169026669 /nfs/dbraw/zinc/02/66/69/1169026669.db2.gz GJJPYMBUEVDIMB-RDDDGLTNSA-N -2 3 321.301 0.733 20 0 DCADHL O=C([O-])c1coc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)c1 ZINC001602548795 1169114869 /nfs/dbraw/zinc/11/48/69/1169114869.db2.gz KJIOBWQWMLEQLA-UHFFFAOYSA-N -2 3 305.294 0.586 20 0 DCADHL O=C([O-])c1coc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)c1 ZINC001602548795 1169114872 /nfs/dbraw/zinc/11/48/72/1169114872.db2.gz KJIOBWQWMLEQLA-UHFFFAOYSA-N -2 3 305.294 0.586 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC001602589124 1169129258 /nfs/dbraw/zinc/12/92/58/1169129258.db2.gz VGTNDQLJARTJDN-RNFRBKRXSA-N -2 3 306.365 0.281 20 0 DCADHL CC(=O)N[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001602932449 1169210574 /nfs/dbraw/zinc/21/05/74/1169210574.db2.gz GISKFYGCHXYWDM-GFCCVEGCSA-N -2 3 318.337 0.437 20 0 DCADHL CC(=O)N[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001602932449 1169210578 /nfs/dbraw/zinc/21/05/78/1169210578.db2.gz GISKFYGCHXYWDM-GFCCVEGCSA-N -2 3 318.337 0.437 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1CC1 ZINC001603022933 1169231888 /nfs/dbraw/zinc/23/18/88/1169231888.db2.gz WAFYHZJBTAQRBC-ZETCQYMHSA-N -2 3 322.350 0.113 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1CC1 ZINC001603022933 1169231899 /nfs/dbraw/zinc/23/18/99/1169231899.db2.gz WAFYHZJBTAQRBC-ZETCQYMHSA-N -2 3 322.350 0.113 20 0 DCADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001603724842 1169370947 /nfs/dbraw/zinc/37/09/47/1169370947.db2.gz VHQWNEKAYGSSQS-ZCFIWIBFSA-N -3 3 322.364 0.619 20 0 DCADHL CC(C)OC(=O)C[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001603908811 1169430942 /nfs/dbraw/zinc/43/09/42/1169430942.db2.gz XHRXNFMYCQOUMB-UHFFFAOYSA-N -2 3 307.368 0.502 20 0 DCADHL CNC(=O)C1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001604875629 1169725788 /nfs/dbraw/zinc/72/57/88/1169725788.db2.gz SFBPFLVIBMVCPM-UHFFFAOYSA-N -2 3 316.321 0.193 20 0 DCADHL CNC(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001604875629 1169725796 /nfs/dbraw/zinc/72/57/96/1169725796.db2.gz SFBPFLVIBMVCPM-UHFFFAOYSA-N -2 3 316.321 0.193 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(OC)OC ZINC001605104594 1169827051 /nfs/dbraw/zinc/82/70/51/1169827051.db2.gz HERGSTXMZKBGAD-LURJTMIESA-N -2 3 324.380 0.517 20 0 DCADHL CCCOC(=O)CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001605334499 1169897059 /nfs/dbraw/zinc/89/70/59/1169897059.db2.gz FPWWFLNIPSNZKU-UHFFFAOYSA-N -2 3 319.335 0.908 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)OC ZINC001605354473 1169903025 /nfs/dbraw/zinc/90/30/25/1169903025.db2.gz CUDTYUPQTWAMAC-SECBINFHSA-N -2 3 307.368 0.502 20 0 DCADHL CCOC(=O)[C@H](CSC)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001605514329 1169943993 /nfs/dbraw/zinc/94/39/93/1169943993.db2.gz TXSWWEZBMJCSRQ-QMMMGPOBSA-N -2 3 313.397 0.065 20 0 DCADHL CN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605962346 1170037264 /nfs/dbraw/zinc/03/72/64/1170037264.db2.gz PZFODMBIGNMEMJ-PHIMTYICSA-N -2 3 306.318 0.444 20 0 DCADHL CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605981791 1170040550 /nfs/dbraw/zinc/04/05/50/1170040550.db2.gz OHULELRJKKTLFZ-DTORHVGOSA-N -2 3 302.294 0.197 20 0 DCADHL CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605981791 1170040559 /nfs/dbraw/zinc/04/05/59/1170040559.db2.gz OHULELRJKKTLFZ-DTORHVGOSA-N -2 3 302.294 0.197 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)o1 ZINC001605980856 1170040747 /nfs/dbraw/zinc/04/07/47/1170040747.db2.gz ZLUZINFBKOMLHN-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)o1 ZINC001605980856 1170040753 /nfs/dbraw/zinc/04/07/53/1170040753.db2.gz ZLUZINFBKOMLHN-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1nc(C(=O)N(CC(=O)[O-])C(C)C)ccc1-c1nnn[n-]1 ZINC001606025157 1170054470 /nfs/dbraw/zinc/05/44/70/1170054470.db2.gz NGPZCRJDTVWKGN-UHFFFAOYSA-N -2 3 304.310 0.505 20 0 DCADHL Cc1nc(C(=O)N(CC(=O)[O-])C(C)C)ccc1-c1nn[n-]n1 ZINC001606025157 1170054474 /nfs/dbraw/zinc/05/44/74/1170054474.db2.gz NGPZCRJDTVWKGN-UHFFFAOYSA-N -2 3 304.310 0.505 20 0 DCADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001606480501 1170216885 /nfs/dbraw/zinc/21/68/85/1170216885.db2.gz OUFBNEWEHWAMCI-ARJAWSKDSA-N -2 3 320.334 0.033 20 0 DCADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001606480501 1170216888 /nfs/dbraw/zinc/21/68/88/1170216888.db2.gz OUFBNEWEHWAMCI-ARJAWSKDSA-N -2 3 320.334 0.033 20 0 DCADHL COC(=O)[C@@H](F)C[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001606506181 1170223606 /nfs/dbraw/zinc/22/36/06/1170223606.db2.gz VFWHVSLXYFMFJM-JTQLQIEISA-N -2 3 319.310 0.315 20 0 DCADHL O=C(CN1CCSC1=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606551689 1170231735 /nfs/dbraw/zinc/23/17/35/1170231735.db2.gz YYAMESHMQBDBQK-UHFFFAOYSA-N -2 3 320.334 0.446 20 0 DCADHL O=C(CN1CCSC1=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606551689 1170231741 /nfs/dbraw/zinc/23/17/41/1170231741.db2.gz YYAMESHMQBDBQK-UHFFFAOYSA-N -2 3 320.334 0.446 20 0 DCADHL O=C(COc1cccnc1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606579083 1170237224 /nfs/dbraw/zinc/23/72/24/1170237224.db2.gz BICUEKVOHYCMJU-UHFFFAOYSA-N -2 3 312.289 0.751 20 0 DCADHL O=C(COc1cccnc1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606579083 1170237227 /nfs/dbraw/zinc/23/72/27/1170237227.db2.gz BICUEKVOHYCMJU-UHFFFAOYSA-N -2 3 312.289 0.751 20 0 DCADHL O=C([O-])[C@H]1CCCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC001606962246 1170340745 /nfs/dbraw/zinc/34/07/45/1170340745.db2.gz LXWVYHGKGUALEP-VIFPVBQESA-N -2 3 313.321 0.815 20 0 DCADHL O=C([O-])[C@H]1CCCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC001606962246 1170340750 /nfs/dbraw/zinc/34/07/50/1170340750.db2.gz LXWVYHGKGUALEP-VIFPVBQESA-N -2 3 313.321 0.815 20 0 DCADHL COc1nc(N2CCc3nc[n-]c(=O)c3C2)ccc1C(=O)[O-] ZINC001607357934 1170434376 /nfs/dbraw/zinc/43/43/76/1170434376.db2.gz NRMOYBATEJDIIK-UHFFFAOYSA-N -2 3 302.290 0.847 20 0 DCADHL O=C([O-])c1coc(CNC(=O)CNC(=O)c2ccc([O-])cc2)n1 ZINC001608339000 1170654721 /nfs/dbraw/zinc/65/47/21/1170654721.db2.gz XOWFEYBJDIWDGD-UHFFFAOYSA-N -2 3 319.273 0.125 20 0 DCADHL O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001608398022 1170669387 /nfs/dbraw/zinc/66/93/87/1170669387.db2.gz ZCCSWCQJIXDRRL-SECBINFHSA-N -2 3 324.268 0.043 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)o1 ZINC001608911780 1170771238 /nfs/dbraw/zinc/77/12/38/1170771238.db2.gz AAUOHOGRNBFVTI-GFCCVEGCSA-N -2 3 319.335 0.045 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ncc2c(n1)CCC2 ZINC001608956116 1170775122 /nfs/dbraw/zinc/77/51/22/1170775122.db2.gz FRGKLOQECRWBHI-UHFFFAOYSA-N -2 3 323.330 0.735 20 0 DCADHL O=C([O-])C1(O)CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001609030205 1170787955 /nfs/dbraw/zinc/78/79/55/1170787955.db2.gz KODYBBGJEPXCSJ-UHFFFAOYSA-N -2 3 324.239 0.078 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609241862 1170894779 /nfs/dbraw/zinc/89/47/79/1170894779.db2.gz ZYFNONJOJDBACC-UHFFFAOYSA-N -2 3 323.288 0.195 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609241862 1170894790 /nfs/dbraw/zinc/89/47/90/1170894790.db2.gz ZYFNONJOJDBACC-UHFFFAOYSA-N -2 3 323.288 0.195 20 0 DCADHL Cc1nc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1-c1nnn[n-]1 ZINC001609446519 1170981510 /nfs/dbraw/zinc/98/15/10/1170981510.db2.gz GXVUWRMHUWDOAX-UHFFFAOYSA-N -2 3 316.321 0.507 20 0 DCADHL Cc1nc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1-c1nn[n-]n1 ZINC001609446519 1170981512 /nfs/dbraw/zinc/98/15/12/1170981512.db2.gz GXVUWRMHUWDOAX-UHFFFAOYSA-N -2 3 316.321 0.507 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccoc1 ZINC001609560285 1171020748 /nfs/dbraw/zinc/02/07/48/1171020748.db2.gz GDGJIWJHZXBLIT-UHFFFAOYSA-N -2 3 319.302 0.578 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccoc1 ZINC001609560285 1171020756 /nfs/dbraw/zinc/02/07/56/1171020756.db2.gz GDGJIWJHZXBLIT-UHFFFAOYSA-N -2 3 319.302 0.578 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ccc(C)nc2)c1C(=O)[O-] ZINC001610500522 1171244222 /nfs/dbraw/zinc/24/42/22/1171244222.db2.gz FSVLPADMEXHEQW-UHFFFAOYSA-N -2 3 324.362 0.641 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)C2CCOCC2)c1C(=O)[O-] ZINC001610550016 1171252056 /nfs/dbraw/zinc/25/20/56/1171252056.db2.gz UBESZUOGSDKRGP-SSDOTTSWSA-N -2 3 317.367 0.510 20 0 DCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001149297364 768727633 /nfs/dbraw/zinc/72/76/33/768727633.db2.gz LUGXWXIELRQYTJ-UHFFFAOYSA-N -2 3 303.278 0.270 20 0 DCADHL Cc1cccn2c(C(=O)NCCCCP(=O)([O-])[O-])nnc12 ZINC001156356476 770794948 /nfs/dbraw/zinc/79/49/48/770794948.db2.gz OPHGETFPENLDBJ-UHFFFAOYSA-N -2 3 312.266 0.725 20 0 DCADHL O=S(=O)([N-]c1cncnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185556186 771927920 /nfs/dbraw/zinc/92/79/20/771927920.db2.gz VPXWBIRMHMLCHS-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL O=S(=O)([N-]c1cncnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185556186 771927924 /nfs/dbraw/zinc/92/79/24/771927924.db2.gz VPXWBIRMHMLCHS-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL COc1cc([O-])c(C(=O)N=c2ncnc3[nH][n-]cc2-3)c(OC)c1 ZINC001190110283 772591156 /nfs/dbraw/zinc/59/11/56/772591156.db2.gz LRYUJHJPCXCOME-UHFFFAOYSA-N -2 3 315.289 0.702 20 0 DCADHL CN(C)c1cncc(C(=O)NCCCCP(=O)([O-])[O-])n1 ZINC001190734104 772670611 /nfs/dbraw/zinc/67/06/11/772670611.db2.gz NBUSYVILHKIKNJ-UHFFFAOYSA-N -2 3 302.271 0.230 20 0 DCADHL Cn1[n-]c(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1=O ZINC001194202578 773163097 /nfs/dbraw/zinc/16/30/97/773163097.db2.gz NESROSCRLURUQZ-UHFFFAOYSA-N -2 3 301.262 0.732 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CO)CC2)c(F)cc1F ZINC001195246374 773353718 /nfs/dbraw/zinc/35/37/18/773353718.db2.gz FUZLHIBYWZOGQH-UHFFFAOYSA-N -2 3 307.274 0.466 20 0 DCADHL COc1ccc(F)c(S(=O)(=O)[N-][C@H]2SC(=O)[N-]C2=O)c1 ZINC001196779475 773652645 /nfs/dbraw/zinc/65/26/45/773652645.db2.gz GRVMRFXOEWRIMC-VIFPVBQESA-N -2 3 320.323 0.422 20 0 DCADHL COC(=O)c1ncc2n1CCC[C@@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569361 775986090 /nfs/dbraw/zinc/98/60/90/775986090.db2.gz ABMNYKJHUYJBEP-ZETCQYMHSA-N -2 3 307.266 0.180 20 0 DCADHL Cc1cccc2c(OC(=O)[C@H](O)CCC(=O)[O-])[n-]c(=O)nc12 ZINC001229405655 776187909 /nfs/dbraw/zinc/18/79/09/776187909.db2.gz WVIPRTGROFLBAV-SECBINFHSA-N -2 3 306.274 0.775 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)[S@](C)=O)oc1C(=O)[O-] ZINC001600298358 1168159126 /nfs/dbraw/zinc/15/91/26/1168159126.db2.gz DVSTYRRARZWDAP-YLVJLNSGSA-N -2 3 323.392 0.722 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCNC(=O)CC2)oc1C(=O)[O-] ZINC001600299307 1168159439 /nfs/dbraw/zinc/15/94/39/1168159439.db2.gz VZNZMMCRAPEYGU-MRVPVSSYSA-N -2 3 316.335 0.233 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)oc1C(=O)[O-] ZINC001600299609 1168162025 /nfs/dbraw/zinc/16/20/25/1168162025.db2.gz BPITVQBFUXYKGH-DTWKUNHWSA-N -2 3 303.336 0.726 20 0 DCADHL O=C([O-])Cn1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cn1 ZINC001602164280 1169011910 /nfs/dbraw/zinc/01/19/10/1169011910.db2.gz XKTGDXSPFCTRAH-UHFFFAOYSA-N -2 3 323.321 0.824 20 0 DCADHL COC(=O)c1cncc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)c1 ZINC001245947179 945301451 /nfs/dbraw/zinc/30/14/51/945301451.db2.gz SJRQGEXDPGWILY-UHFFFAOYSA-N -2 3 313.273 0.922 20 0 DCADHL COCCS(=O)(=O)[N-]c1nc[n-]c(=O)c1Br ZINC001259966346 947039628 /nfs/dbraw/zinc/03/96/28/947039628.db2.gz XSULIUIJLCLRFD-UHFFFAOYSA-N -2 3 312.145 0.333 20 0 DCADHL Cc1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(=O)[n-]1 ZINC001260232162 947089582 /nfs/dbraw/zinc/08/95/82/947089582.db2.gz AATWJJBNRKYRQS-SNVBAGLBSA-N -2 3 309.303 0.061 20 0 DCADHL CSc1nc(=O)[n-]c(C)c1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001364566187 949558417 /nfs/dbraw/zinc/55/84/17/949558417.db2.gz AFMLYXRUBXELKP-ZETCQYMHSA-N -2 3 321.366 0.355 20 0 DCADHL CCOc1nc(NC(=O)c2ccc(OCC(=O)[O-])cc2)n[n-]1 ZINC001593060785 951396703 /nfs/dbraw/zinc/39/67/03/951396703.db2.gz OLFBCTLKSBHBEH-UHFFFAOYSA-N -2 3 306.278 0.919 20 0 DCADHL CCOc1nnc(NC(=O)c2ccc(OCC(=O)[O-])cc2)[n-]1 ZINC001593060785 951396711 /nfs/dbraw/zinc/39/67/11/951396711.db2.gz OLFBCTLKSBHBEH-UHFFFAOYSA-N -2 3 306.278 0.919 20 0 DCADHL CCOc1n[n-]c(NC(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001593060785 951396722 /nfs/dbraw/zinc/39/67/22/951396722.db2.gz OLFBCTLKSBHBEH-UHFFFAOYSA-N -2 3 306.278 0.919 20 0 DCADHL CCn1c(C)cc2n[n-]c(NC(=O)[C@H](OC)C(=O)[O-])c2c1=O ZINC001593660699 953796656 /nfs/dbraw/zinc/79/66/56/953796656.db2.gz PATDZJFCLOVCKN-VIFPVBQESA-N -2 3 308.294 0.091 20 0 DCADHL O=C([O-])[C@@]1(NCc2nnc(-c3ccccc3[O-])o2)CCOC1 ZINC001594882970 954442304 /nfs/dbraw/zinc/44/23/04/954442304.db2.gz ANPMAYFJRWJCEV-CQSZACIVSA-N -2 3 305.290 0.776 20 0 DCADHL Cn1nccc1[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001594588396 956021334 /nfs/dbraw/zinc/02/13/34/956021334.db2.gz GFFFWIAOHUZTLH-ZDUSSCGKSA-N -2 3 307.281 0.749 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001589196300 956611002 /nfs/dbraw/zinc/61/10/02/956611002.db2.gz WHUNMQRNAGEYKK-CYBMUJFWSA-N -2 3 302.294 0.199 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001589196300 956611011 /nfs/dbraw/zinc/61/10/11/956611011.db2.gz WHUNMQRNAGEYKK-CYBMUJFWSA-N -2 3 302.294 0.199 20 0 DCADHL O=C([O-])C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccccc1[O-] ZINC000125967530 958574707 /nfs/dbraw/zinc/57/47/07/958574707.db2.gz WPYYJVSWRJUDRH-VIFPVBQESA-N -2 3 313.331 0.106 20 0 DCADHL CC1(C)[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C[C@@H]1O ZINC000128033618 958627053 /nfs/dbraw/zinc/62/70/53/958627053.db2.gz JIISTFYXVUHXQW-RITPCOANSA-N -2 3 306.365 0.279 20 0 DCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594460309 959449965 /nfs/dbraw/zinc/44/99/65/959449965.db2.gz FEAHMDMYKRLDLK-YUMQZZPRSA-N -2 3 311.294 0.405 20 0 DCADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(C(=O)[O-])CCOCC1)C2 ZINC001594460481 959452887 /nfs/dbraw/zinc/45/28/87/959452887.db2.gz WFGSZDXAAUEAPY-UHFFFAOYSA-N -2 3 307.306 0.214 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC001594269498 959786787 /nfs/dbraw/zinc/78/67/87/959786787.db2.gz QTPPFVSWNRQDES-UHFFFAOYSA-N -2 3 317.301 0.884 20 0 DCADHL CC(C)Oc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)ccn1 ZINC001362720570 959889243 /nfs/dbraw/zinc/88/92/43/959889243.db2.gz RUNGCIMRDGTFBM-UHFFFAOYSA-N -2 3 304.306 1.000 20 0 DCADHL O=C(CNC(=O)c1ncccc1[O-])Nc1nc(Cl)ccc1[O-] ZINC001306827642 960134200 /nfs/dbraw/zinc/13/42/00/960134200.db2.gz SWZQBQDKUSGWET-UHFFFAOYSA-N -2 3 322.708 0.910 20 0 DCADHL CC[S@@](=O)c1ccccc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001363040040 960332761 /nfs/dbraw/zinc/33/27/61/960332761.db2.gz RYGUSIWYJLVOJD-JOCHJYFZSA-N -2 3 321.358 0.945 20 0 DCADHL CCc1nn(C)c(Cl)c1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001363153682 960495170 /nfs/dbraw/zinc/49/51/70/960495170.db2.gz VVTRJJMDCZUTII-UHFFFAOYSA-N -2 3 311.729 0.767 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)c1C(=O)[O-] ZINC001571079238 960975522 /nfs/dbraw/zinc/97/55/22/960975522.db2.gz BXYDHKXKAKRKLC-XPUUQOCRSA-N -2 3 303.340 0.120 20 0 DCADHL CSc1ncc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(=O)[n-]1 ZINC001363477833 961240649 /nfs/dbraw/zinc/24/06/49/961240649.db2.gz VHHMWSYNAAMHFH-ZETCQYMHSA-N -2 3 321.362 0.963 20 0 DCADHL C[C@](CC(=O)[O-])(NC(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001571129130 961531640 /nfs/dbraw/zinc/53/16/40/961531640.db2.gz ZFFFHJZJVOVVJG-CQSZACIVSA-N -2 3 316.321 0.635 20 0 DCADHL C[C@](CC(=O)[O-])(NC(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001571129130 961531652 /nfs/dbraw/zinc/53/16/52/961531652.db2.gz ZFFFHJZJVOVVJG-CQSZACIVSA-N -2 3 316.321 0.635 20 0 DCADHL CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001571154528 961846606 /nfs/dbraw/zinc/84/66/06/961846606.db2.gz ODGYXWSMODSHOL-IRCOFANPSA-N -2 3 321.395 0.353 20 0 DCADHL O=C([O-])C=Cc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)co1 ZINC001574665142 962499142 /nfs/dbraw/zinc/49/91/42/962499142.db2.gz AVQDKFVAFGPDSW-ONEGZZNKSA-N -2 3 305.290 0.763 20 0 DCADHL CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605206283 1169870583 /nfs/dbraw/zinc/87/05/83/1169870583.db2.gz URNNUSHGNGAORO-SFYZADRCSA-N -2 3 322.408 0.917 20 0 DCADHL O=C([O-])C[C@@H](O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000398291022 973105298 /nfs/dbraw/zinc/10/52/98/973105298.db2.gz CBCFHUIHPVDCIJ-SSDOTTSWSA-N -2 3 311.718 0.593 20 0 DCADHL O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2ccco2)C1=O ZINC001606259006 973617612 /nfs/dbraw/zinc/61/76/12/973617612.db2.gz MWQSTENDSLFSBY-VIFPVBQESA-N -2 3 316.335 0.024 20 0 DCADHL COc1ccc(F)c(C(=O)[N-]c2ncn(CC(=O)[O-])n2)c1OC ZINC001604806440 974044443 /nfs/dbraw/zinc/04/44/43/974044443.db2.gz QKULXTVUPKZOMB-UHFFFAOYSA-N -2 3 324.268 0.771 20 0 DCADHL C[C@](O)(CNC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700710996 976965606 /nfs/dbraw/zinc/96/56/06/976965606.db2.gz QYINMUFRLWGBLC-NSHDSACASA-N -2 3 318.123 0.720 20 0 DCADHL CN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710608786 977515468 /nfs/dbraw/zinc/51/54/68/977515468.db2.gz QGCJXRXURLRYSJ-JTQLQIEISA-N -2 3 302.352 0.740 20 0 DCADHL C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710602310 977515690 /nfs/dbraw/zinc/51/56/90/977515690.db2.gz SIMHIRTUTAEKSL-PELKAZGASA-N -2 3 303.336 0.807 20 0 DCADHL Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000710608374 977515709 /nfs/dbraw/zinc/51/57/09/977515709.db2.gz OCUWWGHUIJTMOJ-UHFFFAOYSA-N -2 3 319.726 0.843 20 0 DCADHL C[C@@](Cn1cccn1)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC001592925162 979939196 /nfs/dbraw/zinc/93/91/96/979939196.db2.gz USTZPMVUTABWLB-AWEZNQCLSA-N -2 3 305.290 0.568 20 0 DCADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001594952976 982676332 /nfs/dbraw/zinc/67/63/32/982676332.db2.gz LFSIXCMFYTYFDM-YUMQZZPRSA-N -2 3 300.402 0.438 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c1C(=O)[O-] ZINC001574181504 983183767 /nfs/dbraw/zinc/18/37/67/983183767.db2.gz ABPYHRKSLXBPBB-VIFPVBQESA-N -2 3 317.367 0.246 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2CCC(O)CC2)c1C(=O)[O-] ZINC001574181596 983184092 /nfs/dbraw/zinc/18/40/92/983184092.db2.gz BMSSLTRHBYJSID-UHFFFAOYSA-N -2 3 317.367 0.246 20 0 DCADHL 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/nfs/dbraw/zinc/33/28/33/418332833.db2.gz HGTLPZZSRAJVLK-MRVPVSSYSA-N -2 3 304.324 0.361 20 0 DCADHL COCC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000656180078 418334065 /nfs/dbraw/zinc/33/40/65/418334065.db2.gz FUXUQBIXSCUOBY-UHFFFAOYSA-N -2 3 306.365 0.546 20 0 DCADHL C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000656520690 418359655 /nfs/dbraw/zinc/35/96/55/418359655.db2.gz QNYBVOGNNBVVDX-GWCFXTLKSA-N -2 3 323.374 0.955 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCOC1 ZINC000656717643 418372721 /nfs/dbraw/zinc/37/27/21/418372721.db2.gz KPAOKMHQRONRKU-SCZZXKLOSA-N -2 3 319.335 0.308 20 0 DCADHL C[C@](CCF)([N-]S(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000656725990 418373069 /nfs/dbraw/zinc/37/30/69/418373069.db2.gz XJGYMRVJUSEYPK-LLVKDONJSA-N -2 3 321.330 0.147 20 0 DCADHL CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(SC)n1)[C@@H]1CCOC1 ZINC000656729262 418374212 /nfs/dbraw/zinc/37/42/12/418374212.db2.gz UUMQFBGMVACYBG-HTQZYQBOSA-N -2 3 322.412 0.320 20 0 DCADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nncn2C2CC2)co1 ZINC000356161436 261398566 /nfs/dbraw/zinc/39/85/66/261398566.db2.gz CPKRDIFGKWLBJT-UHFFFAOYSA-N -2 3 311.323 0.366 20 0 DCADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000363779913 271206036 /nfs/dbraw/zinc/20/60/36/271206036.db2.gz NJAOLDYTNIZFQY-SNVBAGLBSA-N -2 3 315.395 0.997 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000547547344 288056561 /nfs/dbraw/zinc/05/65/61/288056561.db2.gz WASSCSFBRTXLFJ-LLVKDONJSA-N -2 3 313.310 0.663 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000548596738 288158709 /nfs/dbraw/zinc/15/87/09/288158709.db2.gz SRVBPMYBUINZDP-ZCFIWIBFSA-N -2 3 322.364 0.461 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c1 ZINC000548992906 288189320 /nfs/dbraw/zinc/18/93/20/288189320.db2.gz UXTUINNRJGNKGS-KWQFWETISA-N -2 3 301.368 0.681 20 0 DCADHL Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000262700119 301101804 /nfs/dbraw/zinc/10/18/04/301101804.db2.gz AOWDIPJVSMCXFH-IUCAKERBSA-N -2 3 317.349 0.567 20 0 DCADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1 ZINC000215331916 332227611 /nfs/dbraw/zinc/22/76/11/332227611.db2.gz BBEYFSMFPDPOAU-SSDOTTSWSA-N -2 3 303.340 0.344 20 0 DCADHL O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000387519937 332328542 /nfs/dbraw/zinc/32/85/42/332328542.db2.gz ODNJRWAKJQLENQ-JTQLQIEISA-N -2 3 303.274 0.555 20 0 DCADHL CCn1cc(C[N-]S(=O)(=O)c2ccsc2C(=O)[O-])nn1 ZINC000404473393 546227227 /nfs/dbraw/zinc/22/72/27/546227227.db2.gz TUCNFTBUWDKNPZ-UHFFFAOYSA-N -2 3 316.364 0.536 20 0 DCADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cn[nH]c1 ZINC000738343482 598594382 /nfs/dbraw/zinc/59/43/82/598594382.db2.gz ZWUKDBFLVNPWKV-UHFFFAOYSA-N -2 3 309.286 0.530 20 0 DCADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC000738343482 598594384 /nfs/dbraw/zinc/59/43/84/598594384.db2.gz ZWUKDBFLVNPWKV-UHFFFAOYSA-N -2 3 309.286 0.530 20 0 DCADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735819788 598739504 /nfs/dbraw/zinc/73/95/04/598739504.db2.gz LLTVTBGQAZWNSN-UHFFFAOYSA-N -2 3 323.378 0.972 20 0 DCADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735819788 598739503 /nfs/dbraw/zinc/73/95/03/598739503.db2.gz LLTVTBGQAZWNSN-UHFFFAOYSA-N -2 3 323.378 0.972 20 0 DCADHL O=C([O-])CC1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000738562932 600161110 /nfs/dbraw/zinc/16/11/10/600161110.db2.gz IASRSUPTOPEDQM-UHFFFAOYSA-N -2 3 320.345 0.835 20 0 DCADHL O=C([O-])c1ccnc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000740244146 600453482 /nfs/dbraw/zinc/45/34/82/600453482.db2.gz GDPQVJHFIPPLED-UHFFFAOYSA-N -2 3 311.253 0.916 20 0 DCADHL CC(C)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000736473383 600519377 /nfs/dbraw/zinc/51/93/77/600519377.db2.gz CUKGTGYOIATAGT-QMMMGPOBSA-N -2 3 316.335 0.265 20 0 DCADHL O=C([O-])CCc1nnc([N-]C(=O)c2cnn3cccnc23)s1 ZINC000739781077 600634988 /nfs/dbraw/zinc/63/49/88/600634988.db2.gz DBTGNAUPMWXUEF-UHFFFAOYSA-N -2 3 318.318 0.850 20 0 DCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826492340 607462607 /nfs/dbraw/zinc/46/26/07/607462607.db2.gz FSHHCWGJVYEPQW-UHFFFAOYSA-N -2 3 309.286 0.530 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000738446977 601126181 /nfs/dbraw/zinc/12/61/81/601126181.db2.gz WLCAXTUFVAJXCN-MRVPVSSYSA-N -2 3 318.289 0.416 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C(N)=O)C(C)C)cc1C(=O)[O-] ZINC000833027065 601220869 /nfs/dbraw/zinc/22/08/69/601220869.db2.gz AULPFHWEIISKCE-VIFPVBQESA-N -2 3 304.324 0.074 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1C(=O)[O-] ZINC000828403796 601762820 /nfs/dbraw/zinc/76/28/20/601762820.db2.gz XDZWIDBUTIDASW-HQJQHLMTSA-N -2 3 302.286 0.363 20 0 DCADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[S@](C)=O ZINC000229786638 602227454 /nfs/dbraw/zinc/22/74/54/602227454.db2.gz HTXMVEBPSZKHGU-VIIUKITBSA-N -2 3 309.365 0.413 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccccn2)o1 ZINC000833323437 602302011 /nfs/dbraw/zinc/30/20/11/602302011.db2.gz RSULTSLQHBSPJC-UHFFFAOYSA-N -2 3 311.319 0.763 20 0 DCADHL CC(C)(NC(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736332860 602500244 /nfs/dbraw/zinc/50/02/44/602500244.db2.gz WWESTFANIMXDIP-UHFFFAOYSA-N -2 3 304.310 0.529 20 0 DCADHL O=C([O-])N1CCC[C@@H](NC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000739297061 603274760 /nfs/dbraw/zinc/27/47/60/603274760.db2.gz HNPGSMKYQHLELH-LLVKDONJSA-N -2 3 321.333 0.381 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCN(C(=O)[O-])CC2(C)C)c(=O)[n-]1 ZINC000830716322 603946930 /nfs/dbraw/zinc/94/69/30/603946930.db2.gz RCVJXFHZJRUDKB-UHFFFAOYSA-N -2 3 322.365 0.942 20 0 DCADHL CN(C)S(=O)(=O)N=c1[n-]c2c(s1)CN(C(=O)[O-])CC2 ZINC000828051708 604044725 /nfs/dbraw/zinc/04/47/25/604044725.db2.gz SYKDUSRBIQRGPL-UHFFFAOYSA-N -2 3 306.369 0.398 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)c(=O)[n-]1 ZINC000833754952 604844274 /nfs/dbraw/zinc/84/42/74/604844274.db2.gz REFAVYYWSQBIFY-ZDUSSCGKSA-N -2 3 311.363 0.418 20 0 DCADHL CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833477128 605030972 /nfs/dbraw/zinc/03/09/72/605030972.db2.gz GIFQYRCOCHLGBB-ZETCQYMHSA-N -2 3 308.381 0.527 20 0 DCADHL CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833481952 605032986 /nfs/dbraw/zinc/03/29/86/605032986.db2.gz YJBKGQBPWCTCIN-SSDOTTSWSA-N -2 3 308.381 0.527 20 0 DCADHL C[C@@](CNC(=O)[O-])(NCc1cc(=O)n2[n-]ccc2n1)C1CC1 ZINC000824953740 605169767 /nfs/dbraw/zinc/16/97/67/605169767.db2.gz WRIKREMEAWMYBX-AWEZNQCLSA-N -2 3 305.338 0.549 20 0 DCADHL CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833655514 605199992 /nfs/dbraw/zinc/19/99/92/605199992.db2.gz BZEQEHZONVCEDR-UHFFFAOYSA-N -2 3 305.308 0.598 20 0 DCADHL O=C([O-])NC[C@H]1CCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000834226115 605807606 /nfs/dbraw/zinc/80/76/06/605807606.db2.gz VDGLOZDNHCQUJH-CYBMUJFWSA-N -2 3 307.350 0.824 20 0 DCADHL O=C([O-])NCC1(C(=O)N2CCc3nc[n-]c(=O)c3C2)CCCC1 ZINC000834207621 605836246 /nfs/dbraw/zinc/83/62/46/605836246.db2.gz TZFPXVCZQOADGC-UHFFFAOYSA-N -2 3 320.349 0.895 20 0 DCADHL C[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820226010 607108366 /nfs/dbraw/zinc/10/83/66/607108366.db2.gz RRDQVMDNFJVLNP-IUCAKERBSA-N -2 3 319.321 0.613 20 0 DCADHL C[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820226010 607108368 /nfs/dbraw/zinc/10/83/68/607108368.db2.gz RRDQVMDNFJVLNP-IUCAKERBSA-N -2 3 319.321 0.613 20 0 DCADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824093874 607777917 /nfs/dbraw/zinc/77/79/17/607777917.db2.gz NHGUARFLOVEGBR-UHFFFAOYSA-N -2 3 312.355 0.301 20 0 DCADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824093874 607777918 /nfs/dbraw/zinc/77/79/18/607777918.db2.gz NHGUARFLOVEGBR-UHFFFAOYSA-N -2 3 312.355 0.301 20 0 DCADHL O=C([O-])Cc1csc(C[N-]S(=O)(=O)CC2(F)CC2)n1 ZINC000906000232 663594723 /nfs/dbraw/zinc/59/47/23/663594723.db2.gz IIQSLFDBMYITGN-UHFFFAOYSA-N -2 3 308.356 0.692 20 0 DCADHL O=C(c1ccc([O-])c(F)c1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907479771 663701469 /nfs/dbraw/zinc/70/14/69/663701469.db2.gz MKRQRFVUJRJSBW-VIFPVBQESA-N -2 3 309.326 0.975 20 0 DCADHL O=C(c1ccc([O-])c(F)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479771 663701470 /nfs/dbraw/zinc/70/14/70/663701470.db2.gz MKRQRFVUJRJSBW-VIFPVBQESA-N -2 3 309.326 0.975 20 0 DCADHL C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910184140 663852948 /nfs/dbraw/zinc/85/29/48/663852948.db2.gz CRWRCQFHJIPNPQ-WHOHXGKFSA-N -2 3 312.366 0.636 20 0 DCADHL C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910184141 663853231 /nfs/dbraw/zinc/85/32/31/663853231.db2.gz CRWRCQFHJIPNPQ-WRWGMCAJSA-N -2 3 312.366 0.636 20 0 DCADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000776631759 668879509 /nfs/dbraw/zinc/87/95/09/668879509.db2.gz CXYBLLKBSDPFCX-ZETCQYMHSA-N -2 3 309.775 0.853 20 0 DCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776636257 668879648 /nfs/dbraw/zinc/87/96/48/668879648.db2.gz XCQWDQJKAWNGDE-ZCFIWIBFSA-N -3 3 322.726 0.189 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCC[S@](C)=O)oc1C(=O)[O-] ZINC000853231340 671222966 /nfs/dbraw/zinc/22/29/66/671222966.db2.gz LWFZZNMMSAOWRN-SFHVURJKSA-N -2 3 309.365 0.333 20 0 DCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000824730687 671438691 /nfs/dbraw/zinc/43/86/91/671438691.db2.gz PSBWAMIFDYVQSX-IUCAKERBSA-N -2 3 319.321 0.566 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncccn1 ZINC000826256714 671482566 /nfs/dbraw/zinc/48/25/66/671482566.db2.gz XKJLGMPTGBHURZ-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncccn1 ZINC000826256714 671482567 /nfs/dbraw/zinc/48/25/67/671482567.db2.gz XKJLGMPTGBHURZ-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1[nH]nc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1[O-] ZINC000831140174 671655463 /nfs/dbraw/zinc/65/54/63/671655463.db2.gz UIXSCDDWYUKZRX-UHFFFAOYSA-N -2 3 306.244 0.174 20 0 DCADHL CCn1cc(C(=O)[O-])c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)n1 ZINC001573846800 1163566665 /nfs/dbraw/zinc/56/66/65/1163566665.db2.gz IXDGDWYOQOOUTM-UHFFFAOYSA-N -2 3 319.321 0.895 20 0 DCADHL CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001573948002 1163597168 /nfs/dbraw/zinc/59/71/68/1163597168.db2.gz GJJDENIQYPXBOE-JMCQJSRRSA-N -2 3 317.367 0.590 20 0 DCADHL Cc1nc(C[N-]S(=O)(=O)Cc2ccno2)sc1C(=O)[O-] ZINC001574188497 1163656430 /nfs/dbraw/zinc/65/64/30/1163656430.db2.gz QHEFGORTWRELGW-UHFFFAOYSA-N -2 3 317.348 0.757 20 0 DCADHL O=C([O-])c1c[nH]nc1[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC001574414856 1163718039 /nfs/dbraw/zinc/71/80/39/1163718039.db2.gz GLFCSWFJLFFGJF-ZETCQYMHSA-N -2 3 303.278 0.233 20 0 DCADHL C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1nn(C)cc1[O-] ZINC001575355935 1163985721 /nfs/dbraw/zinc/98/57/21/1163985721.db2.gz LGUSJQKMDCFKFU-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1nn(C)cc1[O-] ZINC001575355935 1163985724 /nfs/dbraw/zinc/98/57/24/1163985724.db2.gz LGUSJQKMDCFKFU-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc([O-])c(F)cc1F ZINC001582199001 1165982657 /nfs/dbraw/zinc/98/26/57/1165982657.db2.gz ARDGZPZTNDUOER-UHFFFAOYSA-N -2 3 322.235 0.081 20 0 DCADHL CC(C)(C(=O)[O-])C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001589058824 1166634093 /nfs/dbraw/zinc/63/40/93/1166634093.db2.gz ALWBQAQBICYXGY-LLVKDONJSA-N -2 3 315.333 0.561 20 0 DCADHL CC(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589536469 1166665551 /nfs/dbraw/zinc/66/55/51/1166665551.db2.gz XIAXXZOIAVHWHA-UHFFFAOYSA-N -2 3 323.378 0.859 20 0 DCADHL CC(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589536469 1166665555 /nfs/dbraw/zinc/66/55/55/1166665555.db2.gz XIAXXZOIAVHWHA-UHFFFAOYSA-N -2 3 323.378 0.859 20 0 DCADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591780491 1167375679 /nfs/dbraw/zinc/37/56/79/1167375679.db2.gz ZOHYEDLSVFLTGE-UHFFFAOYSA-N -2 3 301.266 0.562 20 0 DCADHL Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1ncc[n-]1 ZINC001591850648 1167394999 /nfs/dbraw/zinc/39/49/99/1167394999.db2.gz HKKSVKWTMMMXIB-UHFFFAOYSA-N -2 3 320.334 0.974 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1ncc[n-]1 ZINC001591850648 1167395005 /nfs/dbraw/zinc/39/50/05/1167395005.db2.gz HKKSVKWTMMMXIB-UHFFFAOYSA-N -2 3 320.334 0.974 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)[N-]OCC1CC1 ZINC001592103652 1167456678 /nfs/dbraw/zinc/45/66/78/1167456678.db2.gz FTDBLGPYMYANGK-UHFFFAOYSA-N -2 3 316.321 0.571 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCC1CC1 ZINC001592103652 1167456684 /nfs/dbraw/zinc/45/66/84/1167456684.db2.gz FTDBLGPYMYANGK-UHFFFAOYSA-N -2 3 316.321 0.571 20 0 DCADHL Cc1ccc(NCCCc2n[nH]c(=O)[n-]2)nc1-c1nnn[n-]1 ZINC001592186084 1167474022 /nfs/dbraw/zinc/47/40/22/1167474022.db2.gz PWVQVWJMCNXYGY-UHFFFAOYSA-N -2 3 301.314 0.439 20 0 DCADHL Cc1[nH]nc(NC(=O)c2c([O-])cccc2F)c1-c1nnn[n-]1 ZINC001592330407 1167491024 /nfs/dbraw/zinc/49/10/24/1167491024.db2.gz NSOZONIRQIYGTA-UHFFFAOYSA-N -2 3 303.257 0.995 20 0 DCADHL Cc1[nH]nc(NC(=O)c2c([O-])cccc2F)c1-c1nn[n-]n1 ZINC001592330407 1167491026 /nfs/dbraw/zinc/49/10/26/1167491026.db2.gz NSOZONIRQIYGTA-UHFFFAOYSA-N -2 3 303.257 0.995 20 0 DCADHL Cn1[n-]c(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)cc1=O ZINC001592592282 1167576988 /nfs/dbraw/zinc/57/69/88/1167576988.db2.gz UIAVGBFECQKJRW-UHFFFAOYSA-N -2 3 311.305 0.509 20 0 DCADHL Cn1[n-]c(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)cc1=O ZINC001592592282 1167576993 /nfs/dbraw/zinc/57/69/93/1167576993.db2.gz UIAVGBFECQKJRW-UHFFFAOYSA-N -2 3 311.305 0.509 20 0 DCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]O[C@H]1CCCCO1 ZINC001592897615 1167661310 /nfs/dbraw/zinc/66/13/10/1167661310.db2.gz GVQKOJSADHPYAQ-ZDUSSCGKSA-N -2 3 319.321 0.820 20 0 DCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]O[C@H]1CCCCO1 ZINC001592897615 1167661316 /nfs/dbraw/zinc/66/13/16/1167661316.db2.gz GVQKOJSADHPYAQ-ZDUSSCGKSA-N -2 3 319.321 0.820 20 0 DCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001593170633 1167729388 /nfs/dbraw/zinc/72/93/88/1167729388.db2.gz IONAHTZBYWECNM-IJLUTSLNSA-N -2 3 301.306 0.702 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001593170633 1167729396 /nfs/dbraw/zinc/72/93/96/1167729396.db2.gz IONAHTZBYWECNM-IJLUTSLNSA-N -2 3 301.306 0.702 20 0 DCADHL O=C([N-]OCC1CC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001593169620 1167730648 /nfs/dbraw/zinc/73/06/48/1167730648.db2.gz ZVUIRUPTFRUPNC-UHFFFAOYSA-N -2 3 320.284 0.402 20 0 DCADHL O=C([N-]OCC1CC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001593169620 1167730657 /nfs/dbraw/zinc/73/06/57/1167730657.db2.gz ZVUIRUPTFRUPNC-UHFFFAOYSA-N -2 3 320.284 0.402 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001593273482 1167750702 /nfs/dbraw/zinc/75/07/02/1167750702.db2.gz HCNHPJGJMHZVFU-SSDOTTSWSA-N -2 3 320.284 0.944 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001593273482 1167750710 /nfs/dbraw/zinc/75/07/10/1167750710.db2.gz HCNHPJGJMHZVFU-SSDOTTSWSA-N -2 3 320.284 0.944 20 0 DCADHL O=C([O-])[C@@H]1CN(c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC001593275497 1167751169 /nfs/dbraw/zinc/75/11/69/1167751169.db2.gz CBRADOQOAFDRDQ-VIFPVBQESA-N -2 3 311.248 0.435 20 0 DCADHL O=C([O-])[C@@H]1CN(c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC001593275497 1167751175 /nfs/dbraw/zinc/75/11/75/1167751175.db2.gz CBRADOQOAFDRDQ-VIFPVBQESA-N -2 3 311.248 0.435 20 0 DCADHL O=C([O-])COCCOCCNc1ccc(-c2nn[n-]n2)cc1 ZINC001593278557 1167754990 /nfs/dbraw/zinc/75/49/90/1167754990.db2.gz MGWYMBQHPFTPDS-UHFFFAOYSA-N -2 3 307.310 0.396 20 0 DCADHL O=C([O-])CCCNC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593278259 1167755450 /nfs/dbraw/zinc/75/54/50/1167755450.db2.gz WPPICYRXNIMAHI-UHFFFAOYSA-N -2 3 318.337 0.573 20 0 DCADHL O=C([O-])CCCNC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593278259 1167755457 /nfs/dbraw/zinc/75/54/57/1167755457.db2.gz WPPICYRXNIMAHI-UHFFFAOYSA-N -2 3 318.337 0.573 20 0 DCADHL O=c1[n-]c(SCCOc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC001593541803 1167921097 /nfs/dbraw/zinc/92/10/97/1167921097.db2.gz SPQCOTIZAICXPR-UHFFFAOYSA-N -2 3 305.323 0.862 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@H](Nc3cc(C(=O)[O-])ncn3)C2)n1 ZINC001600065156 1168109481 /nfs/dbraw/zinc/10/94/81/1168109481.db2.gz SHKVOBITFNVERZ-VIFPVBQESA-N -2 3 316.321 0.670 20 0 DCADHL Cc1cc(C(=O)N2CCc3c(=O)[n-]cnc3C2)oc1C(=O)[O-] ZINC001600085483 1168115067 /nfs/dbraw/zinc/11/50/67/1168115067.db2.gz UFDSIDYYWVDMPG-UHFFFAOYSA-N -2 3 303.274 0.980 20 0 DCADHL Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001600668735 1168236716 /nfs/dbraw/zinc/23/67/16/1168236716.db2.gz GNKRCQLONUTTMM-SSDOTTSWSA-N -2 3 314.323 0.752 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)CCO)c1C(=O)[O-] ZINC001600673854 1168245988 /nfs/dbraw/zinc/24/59/88/1168245988.db2.gz WGLUATQEULLAGM-UHFFFAOYSA-N -2 3 305.356 0.103 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)OCC(=O)C(C)(C)C(=O)[O-] ZINC001600732245 1168265469 /nfs/dbraw/zinc/26/54/69/1168265469.db2.gz JWBWWWLXGQZWOJ-UHFFFAOYSA-N -2 3 310.306 0.646 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H]1C(=O)[O-] ZINC001600772861 1168287067 /nfs/dbraw/zinc/28/70/67/1168287067.db2.gz ZISPLRUJKMAMCF-RQJHMYQMSA-N -2 3 307.759 0.523 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-][C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001600817810 1168472847 /nfs/dbraw/zinc/47/28/47/1168472847.db2.gz DXJLVEJKPJUCCU-KYXWUPHJSA-N -2 3 300.336 0.761 20 0 DCADHL O=C([O-])c1ncoc1CCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001601297882 1168694739 /nfs/dbraw/zinc/69/47/39/1168694739.db2.gz JACGQVMOUMWGTA-UHFFFAOYSA-N -2 3 308.294 0.078 20 0 DCADHL O=C([O-])[C@H]1C[C@H](O)CN(CC(=O)[N-]OCc2ccccc2)C1 ZINC001601306134 1168697240 /nfs/dbraw/zinc/69/72/40/1168697240.db2.gz OYDSXRQCNUXUGS-STQMWFEESA-N -2 3 308.334 0.002 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)[n-]cn1)Cc1ccncc1 ZINC001601465434 1168756952 /nfs/dbraw/zinc/75/69/52/1168756952.db2.gz QETWNQSOCUUBMK-SNVBAGLBSA-N -2 3 302.290 0.251 20 0 DCADHL O=C([O-])[C@]1(CNC(=O)c2nnc3ccccc3c2[O-])CCOC1 ZINC001601473634 1168758804 /nfs/dbraw/zinc/75/88/04/1168758804.db2.gz VFBCFXMZMYYHMU-HNNXBMFYSA-N -2 3 317.301 0.557 20 0 DCADHL O=C([O-])c1cc(NCCNC(=O)c2ccc([O-])cc2)ncn1 ZINC001601511707 1168770517 /nfs/dbraw/zinc/77/05/17/1168770517.db2.gz XTAGEPODLHDKNK-UHFFFAOYSA-N -2 3 302.290 0.722 20 0 DCADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)[C@H]1CCOC1 ZINC001601650761 1168804475 /nfs/dbraw/zinc/80/44/75/1168804475.db2.gz FPQBMFHEHXGKFQ-NKWVEPMBSA-N -2 3 323.758 0.079 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601772557 1168871800 /nfs/dbraw/zinc/87/18/00/1168871800.db2.gz LLIJPDQBTXBQJO-STQMWFEESA-N -2 3 315.329 0.869 20 0 DCADHL O=C([O-])c1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001602314954 1169056058 /nfs/dbraw/zinc/05/60/58/1169056058.db2.gz AUYUZQMDORFDLC-UHFFFAOYSA-N -2 3 315.333 0.993 20 0 DCADHL O=C([O-])c1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001602314954 1169056068 /nfs/dbraw/zinc/05/60/68/1169056068.db2.gz AUYUZQMDORFDLC-UHFFFAOYSA-N -2 3 315.333 0.993 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1 ZINC001602488883 1169091182 /nfs/dbraw/zinc/09/11/82/1169091182.db2.gz XMYWPYMOGQUOIJ-NSHDSACASA-N -2 3 311.315 0.990 20 0 DCADHL C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](C(=O)[O-])C1 ZINC001603166815 1169264302 /nfs/dbraw/zinc/26/43/02/1169264302.db2.gz OHFWBVVSVBQFRC-GXFFZTMASA-N -2 3 320.345 0.796 20 0 DCADHL CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001604485274 1169602316 /nfs/dbraw/zinc/60/23/16/1169602316.db2.gz NPXCMTSSBHTPTD-RXMQYKEDSA-N -2 3 317.352 0.070 20 0 DCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604489224 1169602988 /nfs/dbraw/zinc/60/29/88/1169602988.db2.gz AANVPQKOZWJYSB-PRHODGIISA-N -3 3 317.319 0.900 20 0 DCADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605022626 1169782851 /nfs/dbraw/zinc/78/28/51/1169782851.db2.gz VXBNSHNLXFCTPB-QMMMGPOBSA-N -3 3 305.308 0.900 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001605064884 1169802082 /nfs/dbraw/zinc/80/20/82/1169802082.db2.gz KMUQIIAVMVLFCG-AWEZNQCLSA-N -2 3 321.312 0.933 20 0 DCADHL CN1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1 ZINC001606212919 1170117522 /nfs/dbraw/zinc/11/75/22/1170117522.db2.gz ZAOLGOAYKWVZII-SSDOTTSWSA-N -2 3 322.770 0.861 20 0 DCADHL COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606434424 1170200466 /nfs/dbraw/zinc/20/04/66/1170200466.db2.gz SWBYLONMUDVIAC-YUDCMIJISA-N -2 3 320.348 0.237 20 0 DCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001606446469 1170206477 /nfs/dbraw/zinc/20/64/77/1170206477.db2.gz QZOFPDJYFCAYTD-UHFFFAOYSA-N -2 3 323.675 0.832 20 0 DCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001606446469 1170206481 /nfs/dbraw/zinc/20/64/81/1170206481.db2.gz QZOFPDJYFCAYTD-UHFFFAOYSA-N -2 3 323.675 0.832 20 0 DCADHL COC(=O)C[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606479092 1170217302 /nfs/dbraw/zinc/21/73/02/1170217302.db2.gz QYRHWPCNLJIKHK-YFKPBYRVSA-N -2 3 308.337 0.071 20 0 DCADHL COC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001606509783 1170223363 /nfs/dbraw/zinc/22/33/63/1170223363.db2.gz MXVKWXHWZFVFKB-SFYZADRCSA-N -2 3 317.319 0.598 20 0 DCADHL COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001606532331 1170229749 /nfs/dbraw/zinc/22/97/49/1170229749.db2.gz LKSVVDYOBBBTHA-KNVOCYPGSA-N -2 3 324.289 0.637 20 0 DCADHL O=C(CSc1n[nH]c(=O)[n-]1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606588268 1170239506 /nfs/dbraw/zinc/23/95/06/1170239506.db2.gz PANVUZBMLZOPQO-UHFFFAOYSA-N -2 3 303.307 0.665 20 0 DCADHL O=C(CSc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606588268 1170239511 /nfs/dbraw/zinc/23/95/11/1170239511.db2.gz PANVUZBMLZOPQO-UHFFFAOYSA-N -2 3 303.307 0.665 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)/C=C/C(=O)[O-] ZINC001606637175 1170251699 /nfs/dbraw/zinc/25/16/99/1170251699.db2.gz YAWOKPYGOMHXHP-YUDCMIJISA-N -2 3 320.348 0.237 20 0 DCADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(OCC(=O)[O-])c1 ZINC001606666483 1170256174 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Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000820293016 671189663 /nfs/dbraw/zinc/18/96/63/671189663.db2.gz YUVCHBGRXWWEPQ-UHFFFAOYSA-N -2 3 308.298 0.175 20 0 DCADHL CO[C@@H](CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1ccccc1 ZINC000837294400 671855698 /nfs/dbraw/zinc/85/56/98/671855698.db2.gz KNGVBZOVHXGCSS-MNOVXSKESA-N -2 3 305.327 0.716 20 0 DCADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000903034909 685462976 /nfs/dbraw/zinc/46/29/76/685462976.db2.gz FHYVVCDCSSWAEF-JTQLQIEISA-N -2 3 301.295 0.762 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC001609005534 1159813746 /nfs/dbraw/zinc/81/37/46/1159813746.db2.gz ROQGKTIIRQAYJP-JGVFFNPUSA-N -2 3 320.392 0.671 20 0 DCADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001609895582 1159828042 /nfs/dbraw/zinc/82/80/42/1159828042.db2.gz LEWNJEJMYOKIIG-LLVKDONJSA-N -3 3 305.308 0.757 20 0 DCADHL C[C@@H](C(=O)[O-])C1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001573398017 1163423851 /nfs/dbraw/zinc/42/38/51/1163423851.db2.gz CAKGTYKZZJDKMD-RXMQYKEDSA-N -2 3 321.259 0.686 20 0 DCADHL CCC[C@H](CCO)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573729601 1163542809 /nfs/dbraw/zinc/54/28/09/1163542809.db2.gz VTEGLDQTRAGWQE-SECBINFHSA-N -2 3 319.383 0.493 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C(=O)[O-])c(C)n2)n1 ZINC001574127989 1163643826 /nfs/dbraw/zinc/64/38/26/1163643826.db2.gz QMMYBXOGYFLOIP-UHFFFAOYSA-N -2 3 302.290 0.822 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@]2(C)CCOC2)c1C(=O)[O-] ZINC001574183209 1163655519 /nfs/dbraw/zinc/65/55/19/1163655519.db2.gz ZZGSWEVEUVVIAW-NSHDSACASA-N -2 3 303.340 0.121 20 0 DCADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001574309529 1163693541 /nfs/dbraw/zinc/69/35/41/1163693541.db2.gz XUKUNFFMTCAUTC-SNVBAGLBSA-N -2 3 302.294 0.245 20 0 DCADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001574309529 1163693545 /nfs/dbraw/zinc/69/35/45/1163693545.db2.gz XUKUNFFMTCAUTC-SNVBAGLBSA-N -2 3 302.294 0.245 20 0 DCADHL O=C([O-])c1cc(CNC(=O)c2cc3c(cc2[O-])OCO3)on1 ZINC001574409394 1163716107 /nfs/dbraw/zinc/71/61/07/1163716107.db2.gz ZDJSJUABONJIQU-UHFFFAOYSA-N -2 3 306.230 0.737 20 0 DCADHL CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589115959 1166634974 /nfs/dbraw/zinc/63/49/74/1166634974.db2.gz FDDZAJXFSWFEEV-UHFFFAOYSA-N -2 3 324.366 0.503 20 0 DCADHL CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589115959 1166634980 /nfs/dbraw/zinc/63/49/80/1166634980.db2.gz FDDZAJXFSWFEEV-UHFFFAOYSA-N -2 3 324.366 0.503 20 0 DCADHL C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(=O)[nH][n-]1 ZINC001590041239 1166759900 /nfs/dbraw/zinc/75/99/00/1166759900.db2.gz OOPINAXIPSOKPU-MRVPVSSYSA-N -2 3 313.321 0.262 20 0 DCADHL C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(=O)[nH][n-]1 ZINC001590041239 1166759909 /nfs/dbraw/zinc/75/99/09/1166759909.db2.gz OOPINAXIPSOKPU-MRVPVSSYSA-N -2 3 313.321 0.262 20 0 DCADHL CCC1(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590498988 1166925526 /nfs/dbraw/zinc/92/55/26/1166925526.db2.gz ANMOEMXUUNCLQB-UHFFFAOYSA-N -2 3 321.362 0.869 20 0 DCADHL CCC1(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590498988 1166925535 /nfs/dbraw/zinc/92/55/35/1166925535.db2.gz ANMOEMXUUNCLQB-UHFFFAOYSA-N -2 3 321.362 0.869 20 0 DCADHL Cc1cc(=O)c(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC001591904860 1167416914 /nfs/dbraw/zinc/41/69/14/1167416914.db2.gz UUOARRJQPNHBQD-UHFFFAOYSA-N -2 3 312.289 0.587 20 0 DCADHL Cc1cc(=O)c(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC001591904860 1167416918 /nfs/dbraw/zinc/41/69/18/1167416918.db2.gz UUOARRJQPNHBQD-UHFFFAOYSA-N -2 3 312.289 0.587 20 0 DCADHL Cc1cc[nH]c(=O)c1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592275478 1167481883 /nfs/dbraw/zinc/48/18/83/1167481883.db2.gz NLAWLPSIECZREX-UHFFFAOYSA-N -2 3 312.289 1.000 20 0 DCADHL Cc1cc[nH]c(=O)c1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592275478 1167481886 /nfs/dbraw/zinc/48/18/86/1167481886.db2.gz NLAWLPSIECZREX-UHFFFAOYSA-N -2 3 312.289 1.000 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC001592293536 1167484768 /nfs/dbraw/zinc/48/47/68/1167484768.db2.gz CIDINOMTUNPCGA-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC001592293536 1167484772 /nfs/dbraw/zinc/48/47/72/1167484772.db2.gz CIDINOMTUNPCGA-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL O=C(NCCc1n[n-]c(=S)o1)c1cccc(-c2nnn[n-]2)c1 ZINC001593107201 1167709737 /nfs/dbraw/zinc/70/97/37/1167709737.db2.gz VFWLGFSFGMETSM-UHFFFAOYSA-N -2 3 317.334 0.511 20 0 DCADHL O=C(NCCc1n[n-]c(=S)o1)c1cccc(-c2nn[n-]n2)c1 ZINC001593107201 1167709747 /nfs/dbraw/zinc/70/97/47/1167709747.db2.gz VFWLGFSFGMETSM-UHFFFAOYSA-N -2 3 317.334 0.511 20 0 DCADHL O=C([O-])C1(CNc2ncc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC001593272385 1167749322 /nfs/dbraw/zinc/74/93/22/1167749322.db2.gz ATCFKSSEVGLEJB-UHFFFAOYSA-N -2 3 322.300 0.694 20 0 DCADHL O=C([O-])C1(CNc2ncc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC001593272385 1167749326 /nfs/dbraw/zinc/74/93/26/1167749326.db2.gz ATCFKSSEVGLEJB-UHFFFAOYSA-N -2 3 322.300 0.694 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3cc(C(=O)[O-])ncn3)C2)n1 ZINC001600065155 1168109836 /nfs/dbraw/zinc/10/98/36/1168109836.db2.gz SHKVOBITFNVERZ-SECBINFHSA-N -2 3 316.321 0.670 20 0 DCADHL Cc1coc(CC(=O)[O-])c1C(=O)NCCCc1c[n-][nH]c1=O ZINC001600642083 1168225172 /nfs/dbraw/zinc/22/51/72/1168225172.db2.gz GASZEYLGPAIASH-VIFPVBQESA-N -2 3 307.306 0.457 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1 ZINC001600790247 1168296209 /nfs/dbraw/zinc/29/62/09/1168296209.db2.gz FFDBPTASDIEWAE-UHFFFAOYSA-N -2 3 324.362 0.569 20 0 DCADHL O=C([O-])C1(NC(=O)c2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001601430298 1168745464 /nfs/dbraw/zinc/74/54/64/1168745464.db2.gz KNVGJALELLAZCY-UHFFFAOYSA-N -2 3 316.321 0.779 20 0 DCADHL O=C([O-])C1(NC(=O)c2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001601430298 1168745467 /nfs/dbraw/zinc/74/54/67/1168745467.db2.gz KNVGJALELLAZCY-UHFFFAOYSA-N -2 3 316.321 0.779 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001601476598 1168759573 /nfs/dbraw/zinc/75/95/73/1168759573.db2.gz UIOWTUNXLBBGQX-WDEREUQCSA-N -2 3 318.329 0.492 20 0 DCADHL O=C([O-])Cc1nc(NC(=O)c2nc[n-]c2C(F)(F)F)n[nH]1 ZINC001602154665 1169005360 /nfs/dbraw/zinc/00/53/60/1169005360.db2.gz OYRQZGHJUKTDKE-UHFFFAOYSA-N -2 3 304.188 0.426 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCn3nccc32)o1 ZINC001602397094 1169069671 /nfs/dbraw/zinc/06/96/71/1169069671.db2.gz LSWIZRBYJKQELP-QMMMGPOBSA-N -2 3 311.319 0.988 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCOC2=O)o1 ZINC001602397738 1169071303 /nfs/dbraw/zinc/07/13/03/1169071303.db2.gz JPWVDBOIASUNMK-QMMMGPOBSA-N -2 3 317.319 0.599 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCN1CCCCC1 ZINC001602488216 1169088987 /nfs/dbraw/zinc/08/89/87/1169088987.db2.gz LDCWYWKOFUTJSQ-UHFFFAOYSA-N -2 3 302.352 0.742 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccccc1CO ZINC001602506757 1169101282 /nfs/dbraw/zinc/10/12/82/1169101282.db2.gz PSJXYQBXCLGMIM-UHFFFAOYSA-N -2 3 311.319 0.079 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1([C@@H]2CCCCO2)CC1 ZINC001602507923 1169103123 /nfs/dbraw/zinc/10/31/23/1169103123.db2.gz PRHCLBPIYUHXSD-VIFPVBQESA-N -2 3 315.351 0.488 20 0 DCADHL O=C([O-])c1cnc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)nc1 ZINC001602531508 1169107450 /nfs/dbraw/zinc/10/74/50/1169107450.db2.gz OOCPQOBJOKIJGP-VIFPVBQESA-N -2 3 302.294 0.361 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](CO)CC1CC1 ZINC001602583538 1169125610 /nfs/dbraw/zinc/12/56/10/1169125610.db2.gz NZJYKOOTCYELMV-ZETCQYMHSA-N -2 3 306.365 0.281 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(CO)CCCC1 ZINC001602589281 1169129326 /nfs/dbraw/zinc/12/93/26/1169129326.db2.gz XUZMPWNTEKXRIM-UHFFFAOYSA-N -2 3 320.392 0.672 20 0 DCADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)[O-] ZINC001603525629 1169319600 /nfs/dbraw/zinc/31/96/00/1169319600.db2.gz LGRAQCFGIABNET-QMMMGPOBSA-N -3 3 305.308 0.755 20 0 DCADHL CC(C)(O)CO[N-]C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC001603692304 1169354638 /nfs/dbraw/zinc/35/46/38/1169354638.db2.gz CCXQEEHNHVFGGC-UHFFFAOYSA-N -2 3 304.328 0.379 20 0 DCADHL C[C@H](CCC[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001604133524 1169503384 /nfs/dbraw/zinc/50/33/84/1169503384.db2.gz ZAJAUOBUPKBLEE-ZCFIWIBFSA-N -3 3 322.364 0.621 20 0 DCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001604853591 1169710296 /nfs/dbraw/zinc/71/02/96/1169710296.db2.gz VBGIVWKSQRXADD-MRVPVSSYSA-N -3 3 319.291 0.079 20 0 DCADHL CO[C@@H](C)CS(=O)(=O)[N-]c1sccc1-c1nn[n-]n1 ZINC001605005152 1169777439 /nfs/dbraw/zinc/77/74/39/1169777439.db2.gz ARXNCGFTCKFWTE-LURJTMIESA-N -2 3 303.369 0.705 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)OC ZINC001605355128 1169902307 /nfs/dbraw/zinc/90/23/07/1169902307.db2.gz GQRYBQXUTSVFDC-MRVPVSSYSA-N -2 3 305.308 0.598 20 0 DCADHL Cc1nc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001606055803 1170065323 /nfs/dbraw/zinc/06/53/23/1170065323.db2.gz VDSNYDSVICLWRB-XCBNKYQSSA-N -2 3 304.310 0.248 20 0 DCADHL Cc1nc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001606055803 1170065333 /nfs/dbraw/zinc/06/53/33/1170065333.db2.gz VDSNYDSVICLWRB-XCBNKYQSSA-N -2 3 304.310 0.248 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)C ZINC001606515563 1170225436 /nfs/dbraw/zinc/22/54/36/1170225436.db2.gz VKFQVXHWBCQTQV-SSDOTTSWSA-N -2 3 322.364 0.317 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001606680484 1170260169 /nfs/dbraw/zinc/26/01/69/1170260169.db2.gz SCQPQBKSQZPRDR-ZETCQYMHSA-N -2 3 319.301 0.738 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001606863242 1170316059 /nfs/dbraw/zinc/31/60/59/1170316059.db2.gz UALZIWSMHHKISD-UHFFFAOYSA-N -2 3 316.321 0.653 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001606863242 1170316069 /nfs/dbraw/zinc/31/60/69/1170316069.db2.gz UALZIWSMHHKISD-UHFFFAOYSA-N -2 3 316.321 0.653 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ncccc2C)c1C(=O)[O-] ZINC001607888908 1170517264 /nfs/dbraw/zinc/51/72/64/1170517264.db2.gz UVYGDDFYLMKFFG-UHFFFAOYSA-N -2 3 324.362 0.641 20 0 DCADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccn2)no1 ZINC001607949051 1170531266 /nfs/dbraw/zinc/53/12/66/1170531266.db2.gz NEZWGGTZEWZAIL-ZCFIWIBFSA-N -2 3 312.307 0.511 20 0 DCADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCc1ocnc1C(=O)[O-])C2 ZINC001607967822 1170535837 /nfs/dbraw/zinc/53/58/37/1170535837.db2.gz GUXAFODBNCICNK-UHFFFAOYSA-N -2 3 318.289 0.652 20 0 DCADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3ncc[nH]3)n2)n[nH]1 ZINC001608793902 1170755300 /nfs/dbraw/zinc/75/53/00/1170755300.db2.gz VQPYETFOHMMZKV-UHFFFAOYSA-N -2 3 319.306 0.531 20 0 DCADHL O=C([O-])c1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC001608879557 1170768260 /nfs/dbraw/zinc/76/82/60/1170768260.db2.gz MRWQZHMGWXVQPK-SNVBAGLBSA-N -2 3 316.317 0.767 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)c2cncs2)o1 ZINC001608911269 1170770845 /nfs/dbraw/zinc/77/08/45/1170770845.db2.gz FAQIKXAPGKBTJR-UHFFFAOYSA-N -2 3 316.316 0.596 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])o1 ZINC001608910593 1170771161 /nfs/dbraw/zinc/77/11/61/1170771161.db2.gz CNVOSJVKMZYBOM-SCSAIBSYSA-N -3 3 313.234 0.365 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)o1 ZINC001608911651 1170771248 /nfs/dbraw/zinc/77/12/48/1170771248.db2.gz VFYCTPFGBLITGB-RQJHMYQMSA-N -3 3 301.276 0.285 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCC1 ZINC001609142638 1170824172 /nfs/dbraw/zinc/82/41/72/1170824172.db2.gz GWTQKGWFOKSRIS-UHFFFAOYSA-N -2 3 322.350 0.257 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCC1 ZINC001609142638 1170824178 /nfs/dbraw/zinc/82/41/78/1170824178.db2.gz GWTQKGWFOKSRIS-UHFFFAOYSA-N -2 3 322.350 0.257 20 0 DCADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCC(=O)[O-] ZINC001609350687 1170946348 /nfs/dbraw/zinc/94/63/48/1170946348.db2.gz NFFXAFGDIRRCNT-UHFFFAOYSA-N -2 3 320.309 0.862 20 0 DCADHL O=S(=O)([N-]c1cccnc1)c1cncc(-c2nnn[n-]2)c1 ZINC001609596189 1171036362 /nfs/dbraw/zinc/03/63/62/1171036362.db2.gz ODYAOBLYUBVUES-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL O=S(=O)([N-]c1cccnc1)c1cncc(-c2nn[n-]n2)c1 ZINC001609596189 1171036368 /nfs/dbraw/zinc/03/63/68/1171036368.db2.gz ODYAOBLYUBVUES-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL O=c1[n-]c(SCCOc2ccccc2-c2nnn[n-]2)n[nH]1 ZINC001609611493 1171049335 /nfs/dbraw/zinc/04/93/35/1171049335.db2.gz FFNYXHTVUOQZAC-UHFFFAOYSA-N -2 3 305.323 0.862 20 0 DCADHL O=c1[n-]c(SCCOc2ccccc2-c2nn[n-]n2)n[nH]1 ZINC001609611493 1171049340 /nfs/dbraw/zinc/04/93/40/1171049340.db2.gz FFNYXHTVUOQZAC-UHFFFAOYSA-N -2 3 305.323 0.862 20 0 DCADHL CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])N(CC)CC ZINC001609884921 1171115085 /nfs/dbraw/zinc/11/50/85/1171115085.db2.gz UQZHDPJZLZLWEI-JTQLQIEISA-N -2 3 322.427 0.664 20 0 DCADHL CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC001610231447 1171202250 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/nfs/dbraw/zinc/20/95/89/417209589.db2.gz USHRWNBNRSLVLE-UHFFFAOYSA-N -2 3 306.365 0.137 20 0 DCADHL CN(CCNC(=O)c1ncccc1[O-])C(=O)c1ncccc1[O-] ZINC000438380470 287368982 /nfs/dbraw/zinc/36/89/82/287368982.db2.gz YPVYBTLNEYUVEF-UHFFFAOYSA-N -2 3 316.317 0.390 20 0 DCADHL CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000530151159 417543660 /nfs/dbraw/zinc/54/36/60/417543660.db2.gz IERIQPOBRXAPST-PELKAZGASA-N -2 3 301.320 0.824 20 0 DCADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC ZINC000530488410 417581001 /nfs/dbraw/zinc/58/10/01/417581001.db2.gz HWTGVMAGHBQENC-ZETCQYMHSA-N -2 3 309.365 0.525 20 0 DCADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2ccccc2F)CCOC1 ZINC000644576356 417623010 /nfs/dbraw/zinc/62/30/10/417623010.db2.gz ZCJZTBMOIAEWSV-LBPRGKRZSA-N -2 3 303.311 0.738 20 0 DCADHL Cc1nc(CS(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)cs1 ZINC000646044087 417859936 /nfs/dbraw/zinc/85/99/36/417859936.db2.gz NHMNAHSKVNHCAB-LLVKDONJSA-N -2 3 320.392 0.505 20 0 DCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000663083314 417987906 /nfs/dbraw/zinc/98/79/06/417987906.db2.gz RUGOYVKFMXSZLW-HNNXBMFYSA-N -2 3 315.333 0.984 20 0 DCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000663083314 417987908 /nfs/dbraw/zinc/98/79/08/417987908.db2.gz RUGOYVKFMXSZLW-HNNXBMFYSA-N -2 3 315.333 0.984 20 0 DCADHL CN(CC(=O)[O-])C[C@H]1CN(c2ccnc(C(=O)[O-])c2)CCO1 ZINC000650766110 418323863 /nfs/dbraw/zinc/32/38/63/418323863.db2.gz UMOKCXQMHHCWAU-NSHDSACASA-N -2 3 309.322 0.001 20 0 DCADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])cn21 ZINC000656165264 418332523 /nfs/dbraw/zinc/33/25/23/418332523.db2.gz QBSOYHRWQWPXJF-DTWKUNHWSA-N -2 3 319.358 0.872 20 0 DCADHL COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@H](C)C(=O)[O-])c2=O ZINC000656231310 418338130 /nfs/dbraw/zinc/33/81/30/418338130.db2.gz GLSAQPKAQQAHBL-MRVPVSSYSA-N -2 3 304.302 0.987 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)c1 ZINC000656719781 418372763 /nfs/dbraw/zinc/37/27/63/418372763.db2.gz OBNUQXZYWZTDBG-ZETCQYMHSA-N -2 3 311.262 0.680 20 0 DCADHL CCc1[n-]n(C)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000535062272 287827278 /nfs/dbraw/zinc/82/72/78/287827278.db2.gz HXXKHBRRPRHOHK-LLVKDONJSA-N -2 3 314.301 0.363 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547544296 288056317 /nfs/dbraw/zinc/05/63/17/288056317.db2.gz MFQWQMXGKZFRFY-VIFPVBQESA-N -2 3 318.307 0.017 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000547562301 288058549 /nfs/dbraw/zinc/05/85/49/288058549.db2.gz ZXTNQHWFUDMELD-VIFPVBQESA-N -2 3 309.290 0.651 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000547885266 288088589 /nfs/dbraw/zinc/08/85/89/288088589.db2.gz FJJGVRODADRNRX-JTQLQIEISA-N -2 3 309.290 0.484 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCOC)C(=O)[O-])s1 ZINC000548534230 288151089 /nfs/dbraw/zinc/15/10/89/288151089.db2.gz BGBQBFWXEBLGDD-SSDOTTSWSA-N -2 3 308.381 0.474 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])s1 ZINC000548684511 288167374 /nfs/dbraw/zinc/16/73/74/288167374.db2.gz AGMGAFMYZQCMMY-NSHDSACASA-N -2 3 322.408 0.457 20 0 DCADHL CCn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)nc1C ZINC000558686633 288455947 /nfs/dbraw/zinc/45/59/47/288455947.db2.gz KQNDXFMKIBEFJT-QPUJVOFHSA-N -2 3 315.395 0.989 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1F ZINC000313213465 302018355 /nfs/dbraw/zinc/01/83/55/302018355.db2.gz WTAFTMKWXLHDNV-GFCCVEGCSA-N -2 3 303.311 0.656 20 0 DCADHL O=C([O-])C[C@@H](O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001574363489 1159246515 /nfs/dbraw/zinc/24/65/15/1159246515.db2.gz QVCDCYMGODKERN-SECBINFHSA-N -2 3 318.123 0.607 20 0 DCADHL CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])nc1C ZINC000392975624 337082210 /nfs/dbraw/zinc/08/22/10/337082210.db2.gz WZPPPLLNRAZPPF-SECBINFHSA-N -2 3 303.384 0.991 20 0 DCADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-] ZINC000582736730 337128089 /nfs/dbraw/zinc/12/80/89/337128089.db2.gz HBFZWIDVCGMGNP-SSDOTTSWSA-N -2 3 309.727 0.072 20 0 DCADHL Cc1csc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000038090809 337372456 /nfs/dbraw/zinc/37/24/56/337372456.db2.gz BISHZAFCUZRYIN-UHFFFAOYSA-N -2 3 316.364 0.211 20 0 DCADHL C[C@H]1CC([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C[C@H](C)O1 ZINC000577725964 341932033 /nfs/dbraw/zinc/93/20/33/341932033.db2.gz GGHBALGZNAAGRU-BQBZGAKWSA-N -2 3 303.340 0.342 20 0 DCADHL COC[C@](C)([N-]S(=O)(=O)c1cn(C(C)C)cn1)C(=O)[O-] ZINC000577951047 341957004 /nfs/dbraw/zinc/95/70/04/341957004.db2.gz UCBZQYUDXPFSQG-NSHDSACASA-N -2 3 305.356 0.232 20 0 DCADHL COc1cccc(S([O-])=CC(=O)N2CCc3n[n-]nc3C2)c1 ZINC000424698623 536917590 /nfs/dbraw/zinc/91/75/90/536917590.db2.gz UWCYNYPVBOVJIV-QFIPXVFZSA-N -2 3 320.374 0.506 20 0 DCADHL Cn1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737629423 598909905 /nfs/dbraw/zinc/90/99/05/598909905.db2.gz USIFZHXEUGNIGR-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737629423 598909906 /nfs/dbraw/zinc/90/99/06/598909906.db2.gz USIFZHXEUGNIGR-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CC1)c1sccc1-c1nnn[n-]1 ZINC000738138975 599029257 /nfs/dbraw/zinc/02/92/57/599029257.db2.gz JLGCXGIAMJKNLW-UHFFFAOYSA-N -2 3 313.364 0.398 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CC1)c1sccc1-c1nn[n-]n1 ZINC000738138975 599029258 /nfs/dbraw/zinc/02/92/58/599029258.db2.gz JLGCXGIAMJKNLW-UHFFFAOYSA-N -2 3 313.364 0.398 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C(C)C ZINC000826249608 607399604 /nfs/dbraw/zinc/39/96/04/607399604.db2.gz KZWSXAJIHMYSIV-UHFFFAOYSA-N -2 3 309.351 0.643 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C(C)C ZINC000826249608 607399606 /nfs/dbraw/zinc/39/96/06/607399606.db2.gz KZWSXAJIHMYSIV-UHFFFAOYSA-N -2 3 309.351 0.643 20 0 DCADHL O=C([O-])CSCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000739846830 600170807 /nfs/dbraw/zinc/17/08/07/600170807.db2.gz RLDGGANQMNDPBK-UHFFFAOYSA-N -2 3 321.362 0.691 20 0 DCADHL O=C([O-])CSCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000739846830 600170809 /nfs/dbraw/zinc/17/08/09/600170809.db2.gz RLDGGANQMNDPBK-UHFFFAOYSA-N -2 3 321.362 0.691 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000737631953 600182735 /nfs/dbraw/zinc/18/27/35/600182735.db2.gz XPDRNVLZHHJNFT-UHFFFAOYSA-N -2 3 319.277 0.862 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2ccccc2NC(=O)[O-])n[n-]1 ZINC000737631953 600182736 /nfs/dbraw/zinc/18/27/36/600182736.db2.gz XPDRNVLZHHJNFT-UHFFFAOYSA-N -2 3 319.277 0.862 20 0 DCADHL O=C([O-])c1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000740215526 600261361 /nfs/dbraw/zinc/26/13/61/600261361.db2.gz YGIUWAZEHDHYAQ-UHFFFAOYSA-N -2 3 324.300 0.890 20 0 DCADHL O=C([O-])c1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000740215526 600261363 /nfs/dbraw/zinc/26/13/63/600261363.db2.gz YGIUWAZEHDHYAQ-UHFFFAOYSA-N -2 3 324.300 0.890 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000831079500 600750934 /nfs/dbraw/zinc/75/09/34/600750934.db2.gz VVZHYAUYGFUXQV-VIFPVBQESA-N -2 3 319.335 0.844 20 0 DCADHL CCCCOC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829402328 601222106 /nfs/dbraw/zinc/22/21/06/601222106.db2.gz SPXXYBCJEJKCSM-UHFFFAOYSA-N -2 3 319.335 0.908 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c(=O)[n-]1 ZINC000390361111 601740982 /nfs/dbraw/zinc/74/09/82/601740982.db2.gz RBGRETXTCKNVFD-LLVKDONJSA-N -2 3 323.349 0.434 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C(N)=O)C(C)(C)C)cc1C(=O)[O-] ZINC000833027788 601956988 /nfs/dbraw/zinc/95/69/88/601956988.db2.gz XFOZLQQBUQNYIC-SECBINFHSA-N -2 3 318.351 0.465 20 0 DCADHL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000825262931 604258924 /nfs/dbraw/zinc/25/89/24/604258924.db2.gz DCZWAYXLKWLXOD-GHMZBOCLSA-N -2 3 319.365 0.891 20 0 DCADHL CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000833492080 605764388 /nfs/dbraw/zinc/76/43/88/605764388.db2.gz GALGJSBEAQKILK-NSHDSACASA-N -2 3 324.333 0.443 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])C1CC1 ZINC000833932254 605805107 /nfs/dbraw/zinc/80/51/07/605805107.db2.gz LOGKUHLPNIVRPR-SECBINFHSA-N -2 3 303.340 0.616 20 0 DCADHL COc1cc(C(=O)N2CCN(C(=O)[O-])CC2)cc(OC)c1[O-] ZINC000833727335 606006766 /nfs/dbraw/zinc/00/67/66/606006766.db2.gz WJVWMZURIUIULJ-UHFFFAOYSA-N -2 3 310.306 0.845 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000820259884 607110010 /nfs/dbraw/zinc/11/00/10/607110010.db2.gz BXBCVJBEVPNOBC-DTWKUNHWSA-N -2 3 319.321 0.471 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000820259884 607110011 /nfs/dbraw/zinc/11/00/11/607110011.db2.gz BXBCVJBEVPNOBC-DTWKUNHWSA-N -2 3 319.321 0.471 20 0 DCADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000825750096 609342709 /nfs/dbraw/zinc/34/27/09/609342709.db2.gz MFCHSIBJPIUUCC-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000825750096 609342710 /nfs/dbraw/zinc/34/27/10/609342710.db2.gz MFCHSIBJPIUUCC-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000055617588 664381011 /nfs/dbraw/zinc/38/10/11/664381011.db2.gz YNZFCPZNCURUMA-SECBINFHSA-N -2 3 314.363 0.829 20 0 DCADHL CCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000064477331 665317532 /nfs/dbraw/zinc/31/75/32/665317532.db2.gz AWIPZKCSQFXJCI-UHFFFAOYSA-N -2 3 315.351 0.294 20 0 DCADHL O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000738247918 667662663 /nfs/dbraw/zinc/66/26/63/667662663.db2.gz UFXDFJODVPEKAA-SNVBAGLBSA-N -2 3 309.713 0.772 20 0 DCADHL O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000738247918 667662664 /nfs/dbraw/zinc/66/26/64/667662664.db2.gz UFXDFJODVPEKAA-SNVBAGLBSA-N -2 3 309.713 0.772 20 0 DCADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000776562708 668877793 /nfs/dbraw/zinc/87/77/93/668877793.db2.gz FRCRGBVGPZLMPM-SSDOTTSWSA-N -2 3 309.775 0.709 20 0 DCADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000882710816 669572192 /nfs/dbraw/zinc/57/21/92/669572192.db2.gz SHZUKSLHYKWCNX-SFHVURJKSA-N -2 3 311.360 0.762 20 0 DCADHL COCC[C@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000799251111 670050547 /nfs/dbraw/zinc/05/05/47/670050547.db2.gz JZOCUFAZBGBSJP-JTQLQIEISA-N -2 3 305.290 0.555 20 0 DCADHL O=C([N-]S(=O)(=O)CCCF)c1sccc1-c1nnn[n-]1 ZINC000823284774 671383798 /nfs/dbraw/zinc/38/37/98/671383798.db2.gz JNHRRPCBGDFWHE-UHFFFAOYSA-N -2 3 319.343 0.347 20 0 DCADHL O=C([N-]S(=O)(=O)CCCF)c1sccc1-c1nn[n-]n1 ZINC000823284774 671383801 /nfs/dbraw/zinc/38/38/01/671383801.db2.gz JNHRRPCBGDFWHE-UHFFFAOYSA-N -2 3 319.343 0.347 20 0 DCADHL CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000825679852 671469636 /nfs/dbraw/zinc/46/96/36/671469636.db2.gz KHZPYNSUCUKTBR-SECBINFHSA-N -2 3 311.323 0.008 20 0 DCADHL CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000825679852 671469638 /nfs/dbraw/zinc/46/96/38/671469638.db2.gz KHZPYNSUCUKTBR-SECBINFHSA-N -2 3 311.323 0.008 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OCCC1CC1 ZINC000832845951 671745013 /nfs/dbraw/zinc/74/50/13/671745013.db2.gz WNJCRTLYXOLSIA-UHFFFAOYSA-N -2 3 317.367 0.418 20 0 DCADHL CCOC(=O)c1nnc(CNC(=O)c2cc(C(=O)[O-])c(C)[nH]2)[n-]1 ZINC001573793803 1163555774 /nfs/dbraw/zinc/55/57/74/1163555774.db2.gz OIORSTPQPQRELV-UHFFFAOYSA-N -2 3 321.293 0.246 20 0 DCADHL CSc1nc(NC(=O)CC2(C(=O)[O-])CCOCC2)n[n-]1 ZINC001574098315 1163637271 /nfs/dbraw/zinc/63/72/71/1163637271.db2.gz GFWZMPKDCMIOMH-UHFFFAOYSA-N -2 3 300.340 0.737 20 0 DCADHL Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NCc1nc(=O)o[n-]1 ZINC001580612471 1165657119 /nfs/dbraw/zinc/65/71/19/1165657119.db2.gz QOFXEKOEGJGFLH-UHFFFAOYSA-N -2 3 315.293 0.090 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCc1nc(=O)o[n-]1 ZINC001580612471 1165657122 /nfs/dbraw/zinc/65/71/22/1165657122.db2.gz QOFXEKOEGJGFLH-UHFFFAOYSA-N -2 3 315.293 0.090 20 0 DCADHL O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001582561738 1166046321 /nfs/dbraw/zinc/04/63/21/1166046321.db2.gz SYYSARDAMWUTQQ-PHIMTYICSA-N -2 3 314.349 0.949 20 0 DCADHL CC(C)(O)CO[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589338613 1166650622 /nfs/dbraw/zinc/65/06/22/1166650622.db2.gz DSQHBDFAZHSLNA-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL CC(C)(O)CO[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589338613 1166650626 /nfs/dbraw/zinc/65/06/26/1166650626.db2.gz DSQHBDFAZHSLNA-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589937530 1166722776 /nfs/dbraw/zinc/72/27/76/1166722776.db2.gz GDWZBTUYARUPLY-XROYCOCOSA-N -2 3 301.306 0.765 20 0 DCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C(=O)[O-] ZINC001590267241 1166832504 /nfs/dbraw/zinc/83/25/04/1166832504.db2.gz MRGIDXMOWPVYDK-HTQZYQBOSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C(=O)[O-] ZINC001590267241 1166832508 /nfs/dbraw/zinc/83/25/08/1166832508.db2.gz MRGIDXMOWPVYDK-HTQZYQBOSA-N -2 3 304.310 0.378 20 0 DCADHL CCCCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001590611465 1166950012 /nfs/dbraw/zinc/95/00/12/1166950012.db2.gz KEHRSJCQASQYTF-UHFFFAOYSA-N -2 3 312.355 0.363 20 0 DCADHL CCCCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001590611465 1166950014 /nfs/dbraw/zinc/95/00/14/1166950014.db2.gz KEHRSJCQASQYTF-UHFFFAOYSA-N -2 3 312.355 0.363 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001590644980 1166959579 /nfs/dbraw/zinc/95/95/79/1166959579.db2.gz PXMKGZRLCJKUAS-UHFFFAOYSA-N -2 3 322.300 0.711 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001590644980 1166959582 /nfs/dbraw/zinc/95/95/82/1166959582.db2.gz PXMKGZRLCJKUAS-UHFFFAOYSA-N -2 3 322.300 0.711 20 0 DCADHL CCO[N-]C(=O)CNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001590819545 1167030206 /nfs/dbraw/zinc/03/02/06/1167030206.db2.gz VCQFWBJTEKLPMW-UHFFFAOYSA-N -2 3 311.733 0.703 20 0 DCADHL CCO[N-]C(=O)CNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001590819545 1167030213 /nfs/dbraw/zinc/03/02/13/1167030213.db2.gz VCQFWBJTEKLPMW-UHFFFAOYSA-N -2 3 311.733 0.703 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001590819011 1167030342 /nfs/dbraw/zinc/03/03/42/1167030342.db2.gz MVLXONKGRXWBBS-UHFFFAOYSA-N -2 3 310.701 0.526 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001590819011 1167030346 /nfs/dbraw/zinc/03/03/46/1167030346.db2.gz MVLXONKGRXWBBS-UHFFFAOYSA-N -2 3 310.701 0.526 20 0 DCADHL COCCCO[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001591417214 1167275289 /nfs/dbraw/zinc/27/52/89/1167275289.db2.gz OCWXVYLYLPDWEN-SNVBAGLBSA-N -2 3 321.337 0.718 20 0 DCADHL COCCCO[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001591417214 1167275296 /nfs/dbraw/zinc/27/52/96/1167275296.db2.gz OCWXVYLYLPDWEN-SNVBAGLBSA-N -2 3 321.337 0.718 20 0 DCADHL C[C@@H](CC(=O)[O-])NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001591719367 1167361510 /nfs/dbraw/zinc/36/15/10/1167361510.db2.gz DQTHEHAQFFHGIV-QMMMGPOBSA-N -2 3 305.294 0.225 20 0 DCADHL Cc1cc(-c2nnn[n-]2)cc(NCCCc2n[nH]c(=O)[n-]2)n1 ZINC001591857526 1167398395 /nfs/dbraw/zinc/39/83/95/1167398395.db2.gz GWLAOAQCVXQMRW-UHFFFAOYSA-N -2 3 301.314 0.439 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(NCCCc2n[nH]c(=O)[n-]2)n1 ZINC001591857526 1167398401 /nfs/dbraw/zinc/39/84/01/1167398401.db2.gz GWLAOAQCVXQMRW-UHFFFAOYSA-N -2 3 301.314 0.439 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2ccnn2C)ccc1-c1nnn[n-]1 ZINC001592067282 1167449216 /nfs/dbraw/zinc/44/92/16/1167449216.db2.gz BYFXSAPBMDNWHR-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2ccnn2C)ccc1-c1nn[n-]n1 ZINC001592067282 1167449218 /nfs/dbraw/zinc/44/92/18/1167449218.db2.gz BYFXSAPBMDNWHR-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC1(C(=O)[O-])CC1 ZINC001592111115 1167457407 /nfs/dbraw/zinc/45/74/07/1167457407.db2.gz SFBDXGSVUOLSKY-UHFFFAOYSA-N -2 3 323.334 0.071 20 0 DCADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592275495 1167482208 /nfs/dbraw/zinc/48/22/08/1167482208.db2.gz OMFRECSSALPLMV-UHFFFAOYSA-N -2 3 318.322 0.161 20 0 DCADHL Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)ccc1-c1nn[n-]n1 ZINC001592381365 1167508813 /nfs/dbraw/zinc/50/88/13/1167508813.db2.gz ZKTAUQXROMIBLD-FXBDTBDDSA-N -2 3 304.310 0.206 20 0 DCADHL O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1n[nH]c(=O)[n-]1 ZINC001592961041 1167675033 /nfs/dbraw/zinc/67/50/33/1167675033.db2.gz GJNLPUCUZCGRNI-UHFFFAOYSA-N -2 3 312.293 0.110 20 0 DCADHL O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1n[nH]c(=O)[n-]1 ZINC001592961041 1167675036 /nfs/dbraw/zinc/67/50/36/1167675036.db2.gz GJNLPUCUZCGRNI-UHFFFAOYSA-N -2 3 312.293 0.110 20 0 DCADHL O=C([N-]OCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001593168752 1167728464 /nfs/dbraw/zinc/72/84/64/1167728464.db2.gz BYVRGHSTOGJFKO-UHFFFAOYSA-N -2 3 302.294 0.263 20 0 DCADHL O=C([N-]OCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001593168752 1167728471 /nfs/dbraw/zinc/72/84/71/1167728471.db2.gz BYVRGHSTOGJFKO-UHFFFAOYSA-N -2 3 302.294 0.263 20 0 DCADHL O=C([N-]N1CCCNC1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001593153433 1167730357 /nfs/dbraw/zinc/73/03/57/1167730357.db2.gz GQMZDXKMYDKHHS-UHFFFAOYSA-N -2 3 305.273 0.066 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2sccc2-c2nnn[n-]2)O1 ZINC001593273361 1167749157 /nfs/dbraw/zinc/74/91/57/1167749157.db2.gz FUFHVUAFJMAYLH-RNFRBKRXSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2sccc2-c2nn[n-]n2)O1 ZINC001593273361 1167749166 /nfs/dbraw/zinc/74/91/66/1167749166.db2.gz FUFHVUAFJMAYLH-RNFRBKRXSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCC1 ZINC001593278530 1167753857 /nfs/dbraw/zinc/75/38/57/1167753857.db2.gz KVKHNWOPTGNRMG-UHFFFAOYSA-N -2 3 316.321 0.270 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)o1 ZINC001593489941 1167875977 /nfs/dbraw/zinc/87/59/77/1167875977.db2.gz PFYWWQCGHCRALD-SSDOTTSWSA-N -2 3 315.297 0.129 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)o1 ZINC001593489941 1167875985 /nfs/dbraw/zinc/87/59/85/1167875985.db2.gz PFYWWQCGHCRALD-SSDOTTSWSA-N -2 3 315.297 0.129 20 0 DCADHL COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001598728421 1168032372 /nfs/dbraw/zinc/03/23/72/1168032372.db2.gz BEACMOUSXQTGBC-MRVPVSSYSA-N -2 3 315.303 0.518 20 0 DCADHL Cc1c(C(=O)[O-])sc2[n-]c(CS(C)(=O)=O)nc(=O)c12 ZINC001600004871 1168088026 /nfs/dbraw/zinc/08/80/26/1168088026.db2.gz FZDYCSBCHQEMBD-UHFFFAOYSA-N -2 3 302.333 0.536 20 0 DCADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001600182725 1168132170 /nfs/dbraw/zinc/13/21/70/1168132170.db2.gz JRXWHACJAALOHP-UHFFFAOYSA-N -2 3 323.334 0.492 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)nn1 ZINC001600480786 1168190681 /nfs/dbraw/zinc/19/06/81/1168190681.db2.gz HCAZLHWHJVQBAU-GFCCVEGCSA-N -2 3 321.358 0.932 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCCSC2)c1C(=O)[O-] ZINC001600672498 1168239611 /nfs/dbraw/zinc/23/96/11/1168239611.db2.gz DMDBMOKMTSVKIZ-ZETCQYMHSA-N -2 3 305.381 0.590 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c(=O)[n-]1 ZINC001600691121 1168251414 /nfs/dbraw/zinc/25/14/14/1168251414.db2.gz QHIBIBDBXJHVQL-CYBMUJFWSA-N -2 3 323.349 0.026 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c(=O)[n-]1 ZINC001600691365 1168253416 /nfs/dbraw/zinc/25/34/16/1168253416.db2.gz HDIGFGSAHDLLQV-UFBFGSQYSA-N -2 3 323.349 0.432 20 0 DCADHL Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C2 ZINC001600719086 1168261199 /nfs/dbraw/zinc/26/11/99/1168261199.db2.gz SDOUECOPNXQJLM-UHFFFAOYSA-N -2 3 324.318 0.221 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)cc1C(=O)[O-] ZINC001600858389 1168489161 /nfs/dbraw/zinc/48/91/61/1168489161.db2.gz VVWIZNBJVJLHGB-NXEZZACHSA-N -2 3 319.335 0.104 20 0 DCADHL O=C([O-])c1cnn(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001601380796 1168725623 /nfs/dbraw/zinc/72/56/23/1168725623.db2.gz RCIOGOQKYVLGID-UHFFFAOYSA-N -2 3 301.262 0.802 20 0 DCADHL O=C([O-])[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001601574072 1168787029 /nfs/dbraw/zinc/78/70/29/1168787029.db2.gz OUJSLTWCLCYXTK-QCMRWSPLSA-N -2 3 318.329 0.490 20 0 DCADHL O=C([O-])C1([N-]S(=O)(=O)c2cccnc2Cl)CC(CO)C1 ZINC001601724058 1168833223 /nfs/dbraw/zinc/83/32/23/1168833223.db2.gz VOMPVYMLAMKZCB-UHFFFAOYSA-N -2 3 320.754 0.239 20 0 DCADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001601741188 1168844883 /nfs/dbraw/zinc/84/48/83/1168844883.db2.gz RHSQLWZWCKEXAG-LURJTMIESA-N -3 3 318.332 0.293 20 0 DCADHL O=C([O-])CC1(CS(=O)(=O)[N-][C@H]2CCCC23OCCO3)CC1 ZINC001601922315 1168935531 /nfs/dbraw/zinc/93/55/31/1168935531.db2.gz RFJFOHAZKMXOHH-JTQLQIEISA-N -2 3 319.379 0.456 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)O1 ZINC001602178029 1169017794 /nfs/dbraw/zinc/01/77/94/1169017794.db2.gz FXSHSCJVOQIPSI-BDAKNGLRSA-N -2 3 303.278 0.437 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C[C@H]2CCCO2)o1 ZINC001602397865 1169071020 /nfs/dbraw/zinc/07/10/20/1169071020.db2.gz LCPLYGQMSDSUNW-RKDXNWHRSA-N -2 3 319.335 0.186 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])o1 ZINC001602400199 1169071194 /nfs/dbraw/zinc/07/11/94/1169071194.db2.gz KRNDHYIHUGOBHK-HTQZYQBOSA-N -3 3 317.319 0.757 20 0 DCADHL O=C([O-])c1ccc2[nH]c(CN=c3ncnc4[nH][n-]cc3-4)nc2c1 ZINC001602409066 1169072816 /nfs/dbraw/zinc/07/28/16/1169072816.db2.gz SNPYANYQUSGSMU-UHFFFAOYSA-N -2 3 309.289 0.913 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCNc1ccccc1 ZINC001602507011 1169101712 /nfs/dbraw/zinc/10/17/12/1169101712.db2.gz XSTHKJAGKAUHPN-UHFFFAOYSA-N -2 3 310.335 0.498 20 0 DCADHL O=C([O-])c1cnn(CC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001602543942 1169113250 /nfs/dbraw/zinc/11/32/50/1169113250.db2.gz BQXFDFFSUSOCRS-MRVPVSSYSA-N -2 3 305.294 0.026 20 0 DCADHL O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)c2cnn[n-]2)C1=O ZINC001602608847 1169131164 /nfs/dbraw/zinc/13/11/64/1169131164.db2.gz KOLIBDMOIUSRBJ-MRVPVSSYSA-N -2 3 322.302 0.527 20 0 DCADHL O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)c2c[n-]nn2)C1=O ZINC001602608847 1169131180 /nfs/dbraw/zinc/13/11/80/1169131180.db2.gz KOLIBDMOIUSRBJ-MRVPVSSYSA-N -2 3 322.302 0.527 20 0 DCADHL CC(C)(C(=O)NCCC(=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001603043321 1169238763 /nfs/dbraw/zinc/23/87/63/1169238763.db2.gz LDSXVUQAJRLUSV-UHFFFAOYSA-N -2 3 303.322 0.735 20 0 DCADHL CC(C)(CS(=O)(=O)[N-][C@@H]1CCCC12OCCO2)C(=O)[O-] ZINC001603659941 1169346870 /nfs/dbraw/zinc/34/68/70/1169346870.db2.gz IRUWYPZAQPCXEN-SECBINFHSA-N -2 3 307.368 0.312 20 0 DCADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604490490 1169603601 /nfs/dbraw/zinc/60/36/01/1169603601.db2.gz VDHCTOIHGBDDNO-PRHODGIISA-N -3 3 317.319 0.900 20 0 DCADHL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001604494796 1169604861 /nfs/dbraw/zinc/60/48/61/1169604861.db2.gz NRZGADYXFVLZBD-MRXNPFEDSA-N -2 3 316.313 0.897 20 0 DCADHL CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604546658 1169614753 /nfs/dbraw/zinc/61/47/53/1169614753.db2.gz BMSXIMQQEFPAJF-ZETCQYMHSA-N -2 3 303.292 0.208 20 0 DCADHL C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604722693 1169662880 /nfs/dbraw/zinc/66/28/80/1169662880.db2.gz ALIHRXYSIUBXEC-PRHODGIISA-N -2 3 303.336 0.807 20 0 DCADHL CO[C@@H]1C[C@H](CC(=O)[O-])N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001605025453 1169784587 /nfs/dbraw/zinc/78/45/87/1169784587.db2.gz WSCNVEJXRLCBHI-RKDXNWHRSA-N -2 3 304.310 0.330 20 0 DCADHL CC[C@@H](COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC001605050542 1169794782 /nfs/dbraw/zinc/79/47/82/1169794782.db2.gz YXWLTOIQKCDSLZ-QMMMGPOBSA-N -2 3 319.335 0.764 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc([N-]S(=O)(=O)CC2(F)CC2)n1 ZINC001605535225 1169950738 /nfs/dbraw/zinc/95/07/38/1169950738.db2.gz QODHZGINWGVJGY-UHFFFAOYSA-N -2 3 312.330 0.814 20 0 DCADHL CCOCC(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605624414 1169976746 /nfs/dbraw/zinc/97/67/46/1169976746.db2.gz FUGHESKFGJJLKH-UHFFFAOYSA-N -2 3 308.381 0.935 20 0 DCADHL CCc1ccc([O-])c(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001605821353 1170009204 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/nfs/dbraw/zinc/65/64/36/1167656436.db2.gz MTGJBQVLAXNCBK-UHFFFAOYSA-N -2 3 303.326 0.522 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)[N-]OCC1CCC1 ZINC001592879301 1167656438 /nfs/dbraw/zinc/65/64/38/1167656438.db2.gz MTGJBQVLAXNCBK-UHFFFAOYSA-N -2 3 303.326 0.522 20 0 DCADHL O=C([O-])CCCNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001593277721 1167751239 /nfs/dbraw/zinc/75/12/39/1167751239.db2.gz FWIWKHQRAKPEHX-UHFFFAOYSA-N -2 3 316.321 0.757 20 0 DCADHL O=C([O-])CCCNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001593277721 1167751243 /nfs/dbraw/zinc/75/12/43/1167751243.db2.gz FWIWKHQRAKPEHX-UHFFFAOYSA-N -2 3 316.321 0.757 20 0 DCADHL Cc1cc(C(F)(F)C(=O)[N-][C@@H](CO)C(=O)[O-])cnc1Cl ZINC001600142323 1168126444 /nfs/dbraw/zinc/12/64/44/1168126444.db2.gz DGYOTTWZNJCGMY-ZETCQYMHSA-N -2 3 308.668 0.697 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)oc1C(=O)[O-] ZINC001600297345 1168160071 /nfs/dbraw/zinc/16/00/71/1168160071.db2.gz PQXNYKVYCMFLQF-UHFFFAOYSA-N -3 3 303.292 0.572 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)NCC2(C(=O)[O-])CC2)c([O-])c1 ZINC001600339718 1168169490 /nfs/dbraw/zinc/16/94/90/1168169490.db2.gz WBOHKOYMMDIUED-UHFFFAOYSA-N -2 3 320.345 0.802 20 0 DCADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]Cc1nccc(C)n1 ZINC001600601887 1168209753 /nfs/dbraw/zinc/20/97/53/1168209753.db2.gz ZANXRKFKUIXISB-UHFFFAOYSA-N -2 3 311.319 0.863 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCC2(O)CCC2)c1C(=O)[O-] ZINC001600673565 1168242458 /nfs/dbraw/zinc/24/24/58/1168242458.db2.gz JYNQYIZYZLZMAL-UHFFFAOYSA-N -2 3 317.367 0.390 20 0 DCADHL O=C([O-])C1CC2(C1)CN(CC(=O)NCC1CCC1)C[C@H]2C(=O)[O-] ZINC001601305805 1168696928 /nfs/dbraw/zinc/69/69/28/1168696928.db2.gz NTYKPVUZBVCPBY-BGMSHATGSA-N -2 3 324.377 0.400 20 0 DCADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC001601575278 1168788279 /nfs/dbraw/zinc/78/82/79/1168788279.db2.gz CZPUUYBVRJHVBW-GLSBUQGYSA-N -2 3 314.297 0.553 20 0 DCADHL O=C([O-])CCCO[N-]C(=O)CCc1nc(-c2ccncc2)no1 ZINC001601994777 1168954713 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O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCn2ccnc2C1 ZINC001602488101 1169088794 /nfs/dbraw/zinc/08/87/94/1169088794.db2.gz CEBUCWWTPCFCDD-MRVPVSSYSA-N -2 3 311.319 0.468 20 0 DCADHL O=C([O-])c1coc(C[N-]S(=O)(=O)CCOCC2CC2)n1 ZINC001602556194 1169117098 /nfs/dbraw/zinc/11/70/98/1169117098.db2.gz IWHSQQWMNVXJKU-UHFFFAOYSA-N -2 3 304.324 0.219 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1 ZINC001602587556 1169127535 /nfs/dbraw/zinc/12/75/35/1169127535.db2.gz XDJJVOFYCDOGKH-MRVPVSSYSA-N -2 3 320.392 0.671 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC001602589337 1169129158 /nfs/dbraw/zinc/12/91/58/1169129158.db2.gz ZZDGIBBVUHFMSH-RQJHMYQMSA-N -2 3 306.365 0.281 20 0 DCADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001602624513 1169133546 /nfs/dbraw/zinc/13/35/46/1169133546.db2.gz XUFVPMNZWZIMLO-OTYXRUKQSA-N -2 3 314.305 0.341 20 0 DCADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001602624513 1169133550 /nfs/dbraw/zinc/13/35/50/1169133550.db2.gz XUFVPMNZWZIMLO-OTYXRUKQSA-N -2 3 314.305 0.341 20 0 DCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@@H]2Cc3ccccc3NC2=O)CC1 ZINC001602660855 1169151973 /nfs/dbraw/zinc/15/19/73/1169151973.db2.gz KVQRWOCUQXWASF-LLVKDONJSA-N -2 3 324.358 0.334 20 0 DCADHL C[C@H](C(=O)Nc1cccc([O-])c1F)n1cnc(-c2nnn[n-]2)n1 ZINC001603030045 1169235100 /nfs/dbraw/zinc/23/51/00/1169235100.db2.gz OPITYVBFHIPAAP-ZCFIWIBFSA-N -2 3 318.272 0.503 20 0 DCADHL CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC001603591921 1169331806 /nfs/dbraw/zinc/33/18/06/1169331806.db2.gz OFFNVCBFESKCEG-SFHVURJKSA-N -2 3 314.429 0.970 20 0 DCADHL CO[C@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCSC1 ZINC001605013357 1169778392 /nfs/dbraw/zinc/77/83/92/1169778392.db2.gz HWAPKIWKCPFFAB-CYBMUJFWSA-N -2 3 321.362 0.799 20 0 DCADHL CO[C@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCSC1 ZINC001605013357 1169778399 /nfs/dbraw/zinc/77/83/99/1169778399.db2.gz HWAPKIWKCPFFAB-CYBMUJFWSA-N -2 3 321.362 0.799 20 0 DCADHL Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC001605452893 1169928815 /nfs/dbraw/zinc/92/88/15/1169928815.db2.gz ORKUFXZOBLCZBK-UHFFFAOYSA-N -2 3 310.339 0.115 20 0 DCADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC001605452893 1169928819 /nfs/dbraw/zinc/92/88/19/1169928819.db2.gz ORKUFXZOBLCZBK-UHFFFAOYSA-N -2 3 310.339 0.115 20 0 DCADHL Cc1cc(=O)c(COC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n[n-]1 ZINC001605586628 1169965310 /nfs/dbraw/zinc/96/53/10/1169965310.db2.gz RIIQHAHSLXVKMU-UHFFFAOYSA-N -2 3 301.266 0.356 20 0 DCADHL Cc1cc(=O)c(COC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n[n-]1 ZINC001605586628 1169965319 /nfs/dbraw/zinc/96/53/19/1169965319.db2.gz RIIQHAHSLXVKMU-UHFFFAOYSA-N -2 3 301.266 0.356 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCF ZINC001605802009 1170005203 /nfs/dbraw/zinc/00/52/03/1170005203.db2.gz QOTBRDIBNGLZNG-UHFFFAOYSA-N -2 3 313.314 0.340 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCF ZINC001605802009 1170005204 /nfs/dbraw/zinc/00/52/04/1170005204.db2.gz QOTBRDIBNGLZNG-UHFFFAOYSA-N -2 3 313.314 0.340 20 0 DCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)CCCC(C)(C)C ZINC001606326366 1170159575 /nfs/dbraw/zinc/15/95/75/1170159575.db2.gz VYCXSRWMXHEIPV-VIFPVBQESA-N -2 3 309.384 0.748 20 0 DCADHL COC(=O)C1CCC(NC(=O)c2cc(=O)[n-]cn2)(C(=O)[O-])CC1 ZINC001606396872 1170184112 /nfs/dbraw/zinc/18/41/12/1170184112.db2.gz RGTMCILLXFLLMF-UHFFFAOYSA-N -2 3 323.305 0.099 20 0 DCADHL COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001606506713 1170223389 /nfs/dbraw/zinc/22/33/89/1170223389.db2.gz PCSHNEJENJJFBM-KXUCPTDWSA-N -2 3 321.395 0.747 20 0 DCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)c1ns[nH]c1=O ZINC001606863778 1170317510 /nfs/dbraw/zinc/31/75/10/1170317510.db2.gz PXNCVCQSAHYLAW-UHFFFAOYSA-N -2 3 305.279 0.148 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)c1ns[nH]c1=O ZINC001606863778 1170317513 /nfs/dbraw/zinc/31/75/13/1170317513.db2.gz PXNCVCQSAHYLAW-UHFFFAOYSA-N -2 3 305.279 0.148 20 0 DCADHL O=C([O-])C1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606960809 1170340470 /nfs/dbraw/zinc/34/04/70/1170340470.db2.gz MQEGMFMVSGVKKL-UHFFFAOYSA-N -2 3 315.333 0.732 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)O1 ZINC001606961550 1170341183 /nfs/dbraw/zinc/34/11/83/1170341183.db2.gz UVFNREFPDQITIU-VHSXEESVSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)O1 ZINC001606961550 1170341186 /nfs/dbraw/zinc/34/11/86/1170341186.db2.gz UVFNREFPDQITIU-VHSXEESVSA-N -2 3 321.268 0.577 20 0 DCADHL O=c1[n-]c([C@@H]2CCCN(Cc3ccc(-c4nnn[n-]4)o3)C2)n[nH]1 ZINC001607090824 1170389046 /nfs/dbraw/zinc/38/90/46/1170389046.db2.gz XKTJOOGVCUSREN-MRVPVSSYSA-N -2 3 316.325 0.663 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@H](Nc3cncc(C(=O)[O-])n3)C2)n1 ZINC001607560206 1170476941 /nfs/dbraw/zinc/47/69/41/1170476941.db2.gz HNZVXWSXANOOOX-VIFPVBQESA-N -2 3 316.321 0.670 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)c2ccns2)c1C(=O)[O-] ZINC001607940049 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0 DCADHL CC(C)(O)CO[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001609085287 1170804763 /nfs/dbraw/zinc/80/47/63/1170804763.db2.gz KFRGUAHJQMCJCU-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL CC(C)(O)CO[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001609085287 1170804769 /nfs/dbraw/zinc/80/47/69/1170804769.db2.gz KFRGUAHJQMCJCU-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-] ZINC001609415910 1170971927 /nfs/dbraw/zinc/97/19/27/1170971927.db2.gz REGSARUFENXKLQ-IUCAKERBSA-N -2 3 319.321 0.992 20 0 DCADHL C[C@@](O)(C[N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001609784708 1171083193 /nfs/dbraw/zinc/08/31/93/1171083193.db2.gz DBTRALVENPOKTH-MRVPVSSYSA-N -2 3 319.301 0.474 20 0 DCADHL CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001609900712 1171117771 /nfs/dbraw/zinc/11/77/71/1171117771.db2.gz OPRYMBQMPOXTCT-XPUUQOCRSA-N -2 3 305.356 0.102 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCC2CC(O)C2)cc1C(=O)[O-] ZINC001610586641 1171260064 /nfs/dbraw/zinc/26/00/64/1171260064.db2.gz LYKZHNWBMOHSEE-UHFFFAOYSA-N -2 3 303.336 0.726 20 0 DCADHL Cn1ccc([C@@H]([N-]C(=O)C(F)(F)C2(O)CCC2)C(=O)[O-])n1 ZINC001610607936 1171266032 /nfs/dbraw/zinc/26/60/32/1171266032.db2.gz MFQMFGLSTRLEJF-MRVPVSSYSA-N -2 3 303.265 0.212 20 0 DCADHL O=C([O-])[C@@H](CC(F)F)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001610665533 1171286828 /nfs/dbraw/zinc/28/68/28/1171286828.db2.gz IFTJZGAFDXMENG-SECBINFHSA-N -2 3 316.260 0.347 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC001610872864 1171345433 /nfs/dbraw/zinc/34/54/33/1171345433.db2.gz KOWMGWYDNPYYLI-SCSAIBSYSA-N -2 3 316.307 0.136 20 0 DCADHL C[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H](C)C(=O)[O-] ZINC001645903392 1172178056 /nfs/dbraw/zinc/17/80/56/1172178056.db2.gz DNPNARXPJQDSGU-IUCAKERBSA-N -2 3 311.363 0.707 20 0 DCADHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001647858474 1173058650 /nfs/dbraw/zinc/05/86/50/1173058650.db2.gz HSNFTZVUAOQANI-SSDOTTSWSA-N -2 3 303.278 0.170 20 0 DCADHL COC(=O)c1ncc2n1CCC[C@@H]2OCCP(=O)([O-])[O-] ZINC001224601897 750147493 /nfs/dbraw/zinc/14/74/93/750147493.db2.gz MLXUEFLIXLPTLM-VIFPVBQESA-N -2 3 304.239 0.699 20 0 DCADHL O=C([O-])CC[C@@H](O)C(=O)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234905775 769721442 /nfs/dbraw/zinc/72/14/42/769721442.db2.gz IFHDRUIZQXRZKI-SSDOTTSWSA-N -2 3 314.319 0.352 20 0 DCADHL COC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1nnn[n-]1 ZINC001177828673 770549800 /nfs/dbraw/zinc/54/98/00/770549800.db2.gz PHRLKQBSSGNWST-SNVBAGLBSA-N -2 3 305.294 0.144 20 0 DCADHL COC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1nn[n-]n1 ZINC001177828673 770549805 /nfs/dbraw/zinc/54/98/05/770549805.db2.gz PHRLKQBSSGNWST-SNVBAGLBSA-N -2 3 305.294 0.144 20 0 DCADHL Cc1ncc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(=O)[n-]1 ZINC001184728502 771820979 /nfs/dbraw/zinc/82/09/79/771820979.db2.gz VDBBEZJGBNBGOZ-LLVKDONJSA-N -2 3 323.330 0.370 20 0 DCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189853403 772554713 /nfs/dbraw/zinc/55/47/13/772554713.db2.gz BOJSICRODCFGTP-UHFFFAOYSA-N -2 3 321.301 0.818 20 0 DCADHL CSc1ncc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)c(=O)[n-]1 ZINC001191436055 772768702 /nfs/dbraw/zinc/76/87/02/772768702.db2.gz CEFZUGRCGOENJU-UHFFFAOYSA-N -2 3 319.306 0.528 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCCO)c(F)cc1F ZINC001195187670 773337667 /nfs/dbraw/zinc/33/76/67/773337667.db2.gz VKMWSBXKYWQJSA-UHFFFAOYSA-N -2 3 309.290 0.714 20 0 DCADHL NC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccn2)cc1[O-] ZINC001197830246 773803920 /nfs/dbraw/zinc/80/39/20/773803920.db2.gz XTCQPSDUMFPSDI-UHFFFAOYSA-N -2 3 307.331 0.828 20 0 DCADHL O=c1nc2c(=O)[n-]c(=O)[nH]c2c(O[C@@H]2CCn3ccnc32)[n-]1 ZINC001226888704 775890773 /nfs/dbraw/zinc/89/07/73/775890773.db2.gz VFVLYLPQDPLTKK-RXMQYKEDSA-N -2 3 302.250 0.257 20 0 DCADHL CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590573363 1166947723 /nfs/dbraw/zinc/94/77/23/1166947723.db2.gz KBDYLCFZMZMYLT-UHFFFAOYSA-N -2 3 309.351 0.862 20 0 DCADHL CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590573363 1166947726 /nfs/dbraw/zinc/94/77/26/1166947726.db2.gz KBDYLCFZMZMYLT-UHFFFAOYSA-N -2 3 309.351 0.862 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)c1 ZINC001602557422 1169116640 /nfs/dbraw/zinc/11/66/40/1169116640.db2.gz WJDHYSQCHYPKIF-QMMMGPOBSA-N -2 3 314.319 0.019 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCOC1CCC1 ZINC001602589106 1169129032 /nfs/dbraw/zinc/12/90/32/1169129032.db2.gz UQSUDMULHYVUED-UHFFFAOYSA-N -2 3 306.365 0.689 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(=O)[n-]1 ZINC001412849767 942106877 /nfs/dbraw/zinc/10/68/77/942106877.db2.gz FANNFMJDSOCCDN-SNVBAGLBSA-N -2 3 317.353 0.261 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1 ZINC001260230377 947088938 /nfs/dbraw/zinc/08/89/38/947088938.db2.gz VBSYJSXRZQJMLL-UHFFFAOYSA-N -2 3 308.315 0.964 20 0 DCADHL CC[C@@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC000378783550 971580642 /nfs/dbraw/zinc/58/06/42/971580642.db2.gz OPPXNIAZYMKWPH-SNVBAGLBSA-N -2 3 306.365 0.689 20 0 DCADHL COCC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1 ZINC000380434838 971699396 /nfs/dbraw/zinc/69/93/96/971699396.db2.gz KVBWKHNMHQZFFW-UHFFFAOYSA-N -2 3 303.340 0.203 20 0 DCADHL CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CCCC(=O)[O-] ZINC001591280085 951126205 /nfs/dbraw/zinc/12/62/05/951126205.db2.gz OBXBHSVSWFBICF-VIFPVBQESA-N -2 3 324.337 0.900 20 0 DCADHL CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CCCC(=O)[O-] ZINC001591280085 951126213 /nfs/dbraw/zinc/12/62/13/951126213.db2.gz OBXBHSVSWFBICF-VIFPVBQESA-N -2 3 324.337 0.900 20 0 DCADHL COc1ncc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])s1 ZINC000381883616 951214574 /nfs/dbraw/zinc/21/45/74/951214574.db2.gz PCQWBOXIYKHNFT-SSDOTTSWSA-N -2 3 308.381 0.929 20 0 DCADHL O=C([O-])c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC001595215037 952373811 /nfs/dbraw/zinc/37/38/11/952373811.db2.gz VYUUJINQPCKCLV-VIFPVBQESA-N -2 3 302.290 0.838 20 0 DCADHL O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001411938711 952553498 /nfs/dbraw/zinc/55/34/98/952553498.db2.gz ONUWFQZIKNOXGK-SECBINFHSA-N -2 3 315.337 0.593 20 0 DCADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001594568929 955862566 /nfs/dbraw/zinc/86/25/66/955862566.db2.gz HDGRCKYKSZVRGH-UHFFFAOYSA-N -2 3 313.277 0.551 20 0 DCADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001594568929 955862577 /nfs/dbraw/zinc/86/25/77/955862577.db2.gz HDGRCKYKSZVRGH-UHFFFAOYSA-N -2 3 313.277 0.551 20 0 DCADHL Cc1nc(C)c(CCC(=O)N[C@]2(C(=O)[O-])CCOC2)c(=O)[n-]1 ZINC000387882214 972146168 /nfs/dbraw/zinc/14/61/68/972146168.db2.gz PJNLUMDIUXRDHD-CQSZACIVSA-N -2 3 309.322 0.092 20 0 DCADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1n[n-]c(SCCO)n1 ZINC001589219010 956751398 /nfs/dbraw/zinc/75/13/98/956751398.db2.gz WZLKPQGGAMIIFU-NSHDSACASA-N -2 3 300.340 0.329 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000049160342 957474674 /nfs/dbraw/zinc/47/46/74/957474674.db2.gz QHUKXEWUGAPDTL-UHFFFAOYSA-N -2 3 301.349 0.690 20 0 DCADHL CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000128033804 958628344 /nfs/dbraw/zinc/62/83/44/958628344.db2.gz JIISTFYXVUHXQW-WDSKDSINSA-N -2 3 306.365 0.279 20 0 DCADHL CCOC(=O)CCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134715849 958858267 /nfs/dbraw/zinc/85/82/67/958858267.db2.gz KJTLGYOIVAOBNN-UHFFFAOYSA-N -2 3 322.364 0.463 20 0 DCADHL CSc1ncc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(=O)[n-]1 ZINC001362242920 958991079 /nfs/dbraw/zinc/99/10/79/958991079.db2.gz AHSAHBALIDWHNF-ZETCQYMHSA-N -2 3 309.351 0.146 20 0 DCADHL Cc1cccnc1C(F)(F)C(=O)[N-][C@@]1(C(=O)[O-])CCOC1 ZINC001594420595 959059678 /nfs/dbraw/zinc/05/96/78/959059678.db2.gz MMMISWMPFPLFFF-LBPRGKRZSA-N -2 3 300.261 0.842 20 0 DCADHL O=C([O-])C1(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCOCC1 ZINC001605762498 972427196 /nfs/dbraw/zinc/42/71/96/972427196.db2.gz UOCYMAKWARDFOQ-UHFFFAOYSA-N -2 3 321.333 0.671 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)o1 ZINC000227550028 959958425 /nfs/dbraw/zinc/95/84/25/959958425.db2.gz IQBHNEPPVMJWER-BDAKNGLRSA-N -2 3 303.336 0.807 20 0 DCADHL Cn1cnc(C[N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000236139006 960555836 /nfs/dbraw/zinc/55/58/36/960555836.db2.gz JZNFYSSYOPYAFK-UHFFFAOYSA-N -2 3 302.337 0.053 20 0 DCADHL O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC(c2nnn[n-]2)CC1 ZINC001363283069 960782338 /nfs/dbraw/zinc/78/23/38/960782338.db2.gz PJMICRUHLADWBS-UHFFFAOYSA-N -2 3 315.337 0.593 20 0 DCADHL O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000237948928 961052057 /nfs/dbraw/zinc/05/20/57/961052057.db2.gz NDAGEGWVJOSYJA-VHSXEESVSA-N -2 3 301.302 0.906 20 0 DCADHL O=C([O-])NC1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)CC1 ZINC001571103605 961264084 /nfs/dbraw/zinc/26/40/84/961264084.db2.gz ZUTKVCBIJKBCIC-UHFFFAOYSA-N -2 3 308.338 0.487 20 0 DCADHL COCC1(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1 ZINC001571133198 961583616 /nfs/dbraw/zinc/58/36/16/961583616.db2.gz JEFPXDWJTAOGFF-UHFFFAOYSA-N -2 3 317.367 0.593 20 0 DCADHL C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1nc(C(F)(F)F)n[n-]1 ZINC001363702216 961722491 /nfs/dbraw/zinc/72/24/91/961722491.db2.gz BKQOBHOXFVXHMK-SCSAIBSYSA-N -2 3 304.232 0.754 20 0 DCADHL COc1ccc(F)c(OC)c1C(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001574212975 962923733 /nfs/dbraw/zinc/92/37/33/962923733.db2.gz UYXZSLAYUQTNGO-UHFFFAOYSA-N -2 3 324.268 0.771 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)OC ZINC000311533471 963488684 /nfs/dbraw/zinc/48/86/84/963488684.db2.gz HJGHMBXCGARZOT-YFKPBYRVSA-N -2 3 308.337 0.071 20 0 DCADHL COc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])s1 ZINC000311582986 963493694 /nfs/dbraw/zinc/49/36/94/963493694.db2.gz OYPGCKOFARVAQJ-RQJHMYQMSA-N -2 3 306.365 0.683 20 0 DCADHL COc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)s1 ZINC000311686818 963502454 /nfs/dbraw/zinc/50/24/54/963502454.db2.gz JRSIXIKRDULKIU-SSDOTTSWSA-N -2 3 306.365 0.683 20 0 DCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C(=O)[O-] ZINC001603425698 973151463 /nfs/dbraw/zinc/15/14/63/973151463.db2.gz SMEQCSBBYUGIDE-PSASIEDQSA-N -2 3 316.321 0.445 20 0 DCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C(=O)[O-] ZINC001603425698 973151467 /nfs/dbraw/zinc/15/14/67/973151467.db2.gz SMEQCSBBYUGIDE-PSASIEDQSA-N -2 3 316.321 0.445 20 0 DCADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c([O-])c1 ZINC000402552280 973624533 /nfs/dbraw/zinc/62/45/33/973624533.db2.gz KYHAHRZNQSDTKF-GFCCVEGCSA-N -2 3 305.290 0.690 20 0 DCADHL C[C@@H](CCCNc1ncc(C(=O)[O-])cn1)NC(=O)c1cn[n-]n1 ZINC001592487932 978278504 /nfs/dbraw/zinc/27/85/04/978278504.db2.gz WWTICDJNSLEMAK-QMMMGPOBSA-N -2 3 319.325 0.304 20 0 DCADHL O=C([O-])[C@@H]1CSCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000738558529 978558795 /nfs/dbraw/zinc/55/87/95/978558795.db2.gz UJLMSSGKDUQWPZ-JTQLQIEISA-N -2 3 319.342 0.978 20 0 DCADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001595125937 979512943 /nfs/dbraw/zinc/51/29/43/979512943.db2.gz PRWBAPRTATYREA-ZETCQYMHSA-N -3 3 305.308 0.900 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(=O)OC ZINC001595305402 980446129 /nfs/dbraw/zinc/44/61/29/980446129.db2.gz HIPRJSLGDNKBCR-LPEHRKFASA-N -2 3 307.368 0.501 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])[C@H](O)C(C)C ZINC001595311032 980470465 /nfs/dbraw/zinc/47/04/65/980470465.db2.gz OWXMSGDYCJYOEZ-PSASIEDQSA-N -2 3 319.383 0.490 20 0 DCADHL CCCCOC(=O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001595764303 982479235 /nfs/dbraw/zinc/47/92/35/982479235.db2.gz KXYOSKZDQLPBGZ-UHFFFAOYSA-N -2 3 305.308 0.599 20 0 DCADHL CCCn1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nn1 ZINC001596116721 983448952 /nfs/dbraw/zinc/44/89/52/983448952.db2.gz OJHSJXJOQBRPLV-UHFFFAOYSA-N -2 3 314.323 0.458 20 0 DCADHL CCOC(=O)C[N-]S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001596625263 984604959 /nfs/dbraw/zinc/60/49/59/984604959.db2.gz YNYKPEYFWSGCJI-UHFFFAOYSA-N -2 3 301.320 0.367 20 0 DCADHL C[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC1CCCC1 ZINC001599901703 984844979 /nfs/dbraw/zinc/84/49/79/984844979.db2.gz PQGYBBFMAVQPAK-VIFPVBQESA-N -2 3 321.395 0.891 20 0 DCADHL CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001596864705 985670457 /nfs/dbraw/zinc/67/04/57/985670457.db2.gz XFIMBLYMYXXIBK-PSASIEDQSA-N -2 3 319.335 0.450 20 0 DCADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001596986771 986255112 /nfs/dbraw/zinc/25/51/12/986255112.db2.gz JXQRVMAZIKHCNA-LJGSYFOKSA-N -2 3 306.365 0.687 20 0 DCADHL C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001594684954 987051394 /nfs/dbraw/zinc/05/13/94/987051394.db2.gz VJUZRXKDRNVDDH-TUUFMJSCSA-N -2 3 303.340 0.022 20 0 DCADHL Cc1n[nH]c(C(=O)N[C@H](C)CNC(=O)c2ccccc2[O-])c1[O-] ZINC001386658184 987276810 /nfs/dbraw/zinc/27/68/10/987276810.db2.gz WDCLAZBJTSLJHK-MRVPVSSYSA-N -2 3 318.333 0.678 20 0 DCADHL CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599787255 987943379 /nfs/dbraw/zinc/94/33/79/987943379.db2.gz NMNGOSOJAVSXCV-JGVFFNPUSA-N -2 3 323.392 0.677 20 0 DCADHL CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598060327 990329150 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Cc1nc(C(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001606025328 1170055447 /nfs/dbraw/zinc/05/54/47/1170055447.db2.gz SKQGOIOJMHKZGN-SSDOTTSWSA-N -2 3 304.310 0.363 20 0 DCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CC2)ccc1F ZINC001606303722 1170155674 /nfs/dbraw/zinc/15/56/74/1170155674.db2.gz UGZORXVKICOUKZ-UHFFFAOYSA-N -2 3 316.310 0.081 20 0 DCADHL COC(=O)/C=C\[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606434422 1170199794 /nfs/dbraw/zinc/19/97/94/1170199794.db2.gz SWBYLONMUDVIAC-KGJQDRRLSA-N -2 3 320.348 0.237 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c(C)o1 ZINC001606564925 1170234898 /nfs/dbraw/zinc/23/48/98/1170234898.db2.gz SRPRTXAKPHZNLR-ZCFIWIBFSA-N -2 3 309.271 0.076 20 0 DCADHL CO[C@H]1CCN(Cc2nc3c(c(=O)[n-]2)COCC3)[C@H](C(=O)[O-])C1 ZINC001606760004 1170280545 /nfs/dbraw/zinc/28/05/45/1170280545.db2.gz GZVPTCUROJYTNC-CABZTGNLSA-N -2 3 323.349 0.319 20 0 DCADHL O=S(=O)(CCCCF)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC001607057907 1170375300 /nfs/dbraw/zinc/37/53/00/1170375300.db2.gz LLBDMGLOIXUKEE-UHFFFAOYSA-N -2 3 300.319 0.753 20 0 DCADHL O=S(=O)([N-]c1cccc(O)c1)c1cncc(-c2nnn[n-]2)c1 ZINC001607069143 1170378315 /nfs/dbraw/zinc/37/83/15/1170378315.db2.gz ZVQINAHHHMGSKS-UHFFFAOYSA-N -2 3 318.318 0.768 20 0 DCADHL O=S(=O)([N-]c1cccc(O)c1)c1cncc(-c2nn[n-]n2)c1 ZINC001607069143 1170378319 /nfs/dbraw/zinc/37/83/19/1170378319.db2.gz ZVQINAHHHMGSKS-UHFFFAOYSA-N -2 3 318.318 0.768 20 0 DCADHL C[C@@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)C[C@H]1CC(=O)[O-] ZINC001607430768 1170452112 /nfs/dbraw/zinc/45/21/12/1170452112.db2.gz AMAOIRVPXCZGRO-ZYHUDNBSSA-N -2 3 320.345 0.691 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCC2(CO)CC2)oc1C(=O)[O-] ZINC001607707985 1170499034 /nfs/dbraw/zinc/49/90/34/1170499034.db2.gz YLJHUBDOAIKKSI-UHFFFAOYSA-N -2 3 303.336 0.727 20 0 DCADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2nncn2C)C(=O)[O-])cc1 ZINC001607760643 1170503800 /nfs/dbraw/zinc/50/38/00/1170503800.db2.gz TYXWKTOERKXCTB-NSHDSACASA-N -2 3 324.362 0.270 20 0 DCADHL Cc1ncccc1CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001607989158 1170541798 /nfs/dbraw/zinc/54/17/98/1170541798.db2.gz XZTLFMYWIREDPP-UHFFFAOYSA-N -2 3 310.335 0.332 20 0 DCADHL Cc1nnc([C@H](C)[N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)o1 ZINC001608014741 1170547504 /nfs/dbraw/zinc/54/75/04/1170547504.db2.gz UJNVSWYDFLEYEY-ZETCQYMHSA-N -2 3 303.340 0.613 20 0 DCADHL Cc1nonc1C[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001608030192 1170555186 /nfs/dbraw/zinc/55/51/86/1170555186.db2.gz HPYFIIWYCIBFNJ-UHFFFAOYSA-N -2 3 303.340 0.442 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])nc1Cl ZINC001608122044 1170582368 /nfs/dbraw/zinc/58/23/68/1170582368.db2.gz RUZCUXXJKKBSIM-NKWVEPMBSA-N -2 3 307.759 0.605 20 0 DCADHL O=C([O-])C1CC2(C1)CN(CC(=O)N1CCCCC1)C[C@@H]2C(=O)[O-] ZINC001608610524 1170719563 /nfs/dbraw/zinc/71/95/63/1170719563.db2.gz KFPFJRPGEOONTH-BWBHSNQOSA-N -2 3 324.377 0.496 20 0 DCADHL O=C([O-])CC1CC([N-]S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC001608692832 1170738496 /nfs/dbraw/zinc/73/84/96/1170738496.db2.gz BQXNIWXNLBFFNU-UHFFFAOYSA-N -2 3 310.397 0.336 20 0 DCADHL O=C([O-])CCN(CC(=O)[O-])C(=O)[C@@H]1CNCc2ccccc21 ZINC001608720762 1170743214 /nfs/dbraw/zinc/74/32/14/1170743214.db2.gz CPEOAGHYZZLWIN-GFCCVEGCSA-N -2 3 306.318 0.261 20 0 DCADHL O=C([O-])CCN(CC(=O)[O-])C(=O)[C@H]1CNCc2ccccc21 ZINC001608720763 1170743623 /nfs/dbraw/zinc/74/36/23/1170743623.db2.gz CPEOAGHYZZLWIN-LBPRGKRZSA-N -2 3 306.318 0.261 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)n[n-]2)O1 ZINC001608804368 1170757849 /nfs/dbraw/zinc/75/78/49/1170757849.db2.gz PJCSVKSEMGCFKE-UHNVWZDZSA-N -2 3 308.216 0.072 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(Br)CC2)n[nH]1 ZINC001608861195 1170766277 /nfs/dbraw/zinc/76/62/77/1170766277.db2.gz UTQANUCOOBLMOU-UHFFFAOYSA-N -2 3 324.156 0.314 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCOC2)o1 ZINC001608911112 1170771323 /nfs/dbraw/zinc/77/13/23/1170771323.db2.gz XNWKVYPOCKKNPA-DTWKUNHWSA-N -2 3 319.335 0.044 20 0 DCADHL CC(C)(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609080271 1170802731 /nfs/dbraw/zinc/80/27/31/1170802731.db2.gz VWSCFIXQCWSDKR-UHFFFAOYSA-N -2 3 323.378 0.654 20 0 DCADHL CC(C)(C)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609080271 1170802734 /nfs/dbraw/zinc/80/27/34/1170802734.db2.gz VWSCFIXQCWSDKR-UHFFFAOYSA-N -2 3 323.378 0.654 20 0 DCADHL CC(F)(F)CC[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609116574 1170815118 /nfs/dbraw/zinc/81/51/18/1170815118.db2.gz RFSWFTZMDKYDMS-UHFFFAOYSA-N -2 3 307.282 0.783 20 0 DCADHL CC(F)(F)CC[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609116574 1170815122 /nfs/dbraw/zinc/81/51/22/1170815122.db2.gz RFSWFTZMDKYDMS-UHFFFAOYSA-N -2 3 307.282 0.783 20 0 DCADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609375478 1170955299 /nfs/dbraw/zinc/95/52/99/1170955299.db2.gz LIDGFQZLLRILHM-VXNVDRBHSA-N -2 3 307.335 0.328 20 0 DCADHL C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609375478 1170955301 /nfs/dbraw/zinc/95/53/01/1170955301.db2.gz LIDGFQZLLRILHM-VXNVDRBHSA-N -2 3 307.335 0.328 20 0 DCADHL O=S(=O)([N-]c1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001609596449 1171036146 /nfs/dbraw/zinc/03/61/46/1171036146.db2.gz KUBDWYXGHKOMKG-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL O=S(=O)([N-]c1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001609596449 1171036154 /nfs/dbraw/zinc/03/61/54/1171036154.db2.gz KUBDWYXGHKOMKG-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2)c1C(=O)[O-] ZINC001610549718 1171251974 /nfs/dbraw/zinc/25/19/74/1171251974.db2.gz JHBVMWZJUWNZTB-DTORHVGOSA-N -2 3 317.367 0.651 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001610587273 1171260900 /nfs/dbraw/zinc/26/09/00/1171260900.db2.gz XVAOXUPOAWRBDS-JGVFFNPUSA-N -3 3 317.319 0.818 20 0 DCADHL NC(=O)c1cccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)n1 ZINC001610642022 1171278127 /nfs/dbraw/zinc/27/81/27/1171278127.db2.gz PEZOJHSAPHKKBZ-UHFFFAOYSA-N -2 3 321.318 0.302 20 0 DCADHL O=C(Cn1c(=O)oc2ccccc21)NCc1nc([O-])cc(=O)[n-]1 ZINC001642456495 1171946809 /nfs/dbraw/zinc/94/68/09/1171946809.db2.gz NIDUNVCLHISHQN-UHFFFAOYSA-N -2 3 316.273 0.112 20 0 DCADHL CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1ccccc1[O-] ZINC001716206780 1182251232 /nfs/dbraw/zinc/25/12/32/1182251232.db2.gz MJRHPSIZHXEFCI-UHFFFAOYSA-N -2 3 305.338 0.468 20 0 DCADHL COc1cccc2c(OC(=O)[C@H](O)CC(=O)[O-])[n-]c(=O)nc12 ZINC001231351377 769233443 /nfs/dbraw/zinc/23/34/43/769233443.db2.gz ZWUUEUDCESHNHT-SSDOTTSWSA-N -2 3 308.246 0.085 20 0 DCADHL O=C(c1n[n-]c2ccccc2c1=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001153002582 769691952 /nfs/dbraw/zinc/69/19/52/769691952.db2.gz URTLUCJNDIQNOV-MRVPVSSYSA-N -2 3 311.305 0.478 20 0 DCADHL O=C(c1n[n-]c2ccccc2c1=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001153002582 769691960 /nfs/dbraw/zinc/69/19/60/769691960.db2.gz URTLUCJNDIQNOV-MRVPVSSYSA-N -2 3 311.305 0.478 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)Cc1c(F)cccc1F ZINC001197616087 773770535 /nfs/dbraw/zinc/77/05/35/773770535.db2.gz KABSGRJKJKVJKE-UHFFFAOYSA-N -2 3 315.234 0.562 20 0 DCADHL Cc1ccc(S(=O)(=O)NCCCCP(=O)([O-])[O-])cn1 ZINC001198333414 773901114 /nfs/dbraw/zinc/90/11/14/773901114.db2.gz MBKAUFGPBIUTGK-UHFFFAOYSA-N -2 3 308.296 0.626 20 0 DCADHL CC(C)CS(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589651420 1166671195 /nfs/dbraw/zinc/67/11/95/1166671195.db2.gz RIWUKSPSQISPGN-UHFFFAOYSA-N -2 3 315.380 0.644 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c1C(=O)[O-] ZINC001600674039 1168244420 /nfs/dbraw/zinc/24/44/20/1168244420.db2.gz NZVFMEILERLUHT-DTWKUNHWSA-N -2 3 317.367 0.246 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@]2(C)CCOC2=O)cc1C(=O)[O-] ZINC001600855628 1168486647 /nfs/dbraw/zinc/48/66/47/1168486647.db2.gz SEVHQVNKIBGLRS-NSHDSACASA-N -2 3 303.292 0.270 20 0 DCADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001594952974 982675876 /nfs/dbraw/zinc/67/58/76/982675876.db2.gz LFSIXCMFYTYFDM-SFYZADRCSA-N -2 3 300.402 0.438 20 0 DCADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2cccnc2Cl)CCOC1 ZINC001601938488 1168940699 /nfs/dbraw/zinc/94/06/99/1168940699.db2.gz WALBOPNPNURWLE-LLVKDONJSA-N -2 3 320.754 0.647 20 0 DCADHL CC(C)(C)OC(=O)C[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001603373929 1169302298 /nfs/dbraw/zinc/30/22/98/1169302298.db2.gz SLDAFYCWTCPAHT-UHFFFAOYSA-N -2 3 321.395 0.893 20 0 DCADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000321414841 970768845 /nfs/dbraw/zinc/76/88/45/970768845.db2.gz NDJPEIAWZVTLKE-IONNQARKSA-N -2 3 317.301 0.897 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]N=c2[n-]ncc(N)c2Cl)c[nH]1 ZINC001319281475 945540959 /nfs/dbraw/zinc/54/09/59/945540959.db2.gz AMBUWAVYKYCIJF-UHFFFAOYSA-N -2 3 303.735 0.049 20 0 DCADHL COC(=O)CS(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001259017495 946892353 /nfs/dbraw/zinc/89/23/53/946892353.db2.gz XXXKAKWHMKMBBG-UHFFFAOYSA-N -2 3 302.333 0.917 20 0 DCADHL COC(=O)CS(=O)(=O)[N-]c1cc(NC(C)=O)ccc1[O-] ZINC001259028208 946901705 /nfs/dbraw/zinc/90/17/05/946901705.db2.gz BJLQMOGIHSLVJM-UHFFFAOYSA-N -2 3 302.308 0.265 20 0 DCADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H]2COC[C@@H]2F)c1 ZINC001260220975 947087282 /nfs/dbraw/zinc/08/72/82/947087282.db2.gz ZMDXQRKOCSAQLH-DTWKUNHWSA-N -2 3 307.274 0.539 20 0 DCADHL Cc1n[nH]c(C)c1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001261032926 947170093 /nfs/dbraw/zinc/17/00/93/947170093.db2.gz LIUADOZSHKJKOB-UHFFFAOYSA-N -2 3 311.300 0.263 20 0 DCADHL C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000328133282 971448332 /nfs/dbraw/zinc/44/83/32/971448332.db2.gz XDRXZEMOOYZTPL-PRHODGIISA-N -2 3 303.336 0.807 20 0 DCADHL COC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCC1 ZINC000383286463 971860633 /nfs/dbraw/zinc/86/06/33/971860633.db2.gz JUTZJOQNRDDMTJ-UHFFFAOYSA-N -2 3 303.340 0.345 20 0 DCADHL COc1cnc(C(C)(C)NC(=O)CCCc2nnn[n-]2)[n-]c1=O ZINC001412657497 952973652 /nfs/dbraw/zinc/97/36/52/952973652.db2.gz BTGNKTWHUSXAIU-UHFFFAOYSA-N -2 3 321.341 0.078 20 0 DCADHL COc1cnc(C(C)(C)NC(=O)CCCc2nn[n-]n2)[n-]c1=O ZINC001412657497 952973657 /nfs/dbraw/zinc/97/36/57/952973657.db2.gz BTGNKTWHUSXAIU-UHFFFAOYSA-N -2 3 321.341 0.078 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2n[n-]nc2C(=O)NC2CC2)C1 ZINC001594799175 953724529 /nfs/dbraw/zinc/72/45/29/953724529.db2.gz ZVOJXJYIBDJMCL-SVRRBLITSA-N -2 3 322.325 0.072 20 0 DCADHL O=C([O-])C1=NO[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001594890164 954513144 /nfs/dbraw/zinc/51/31/44/954513144.db2.gz PAWSYKHUUIGKOD-VIFPVBQESA-N -2 3 302.250 0.035 20 0 DCADHL O=C([O-])C1=NO[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001594890164 954513152 /nfs/dbraw/zinc/51/31/52/954513152.db2.gz PAWSYKHUUIGKOD-VIFPVBQESA-N -2 3 302.250 0.035 20 0 DCADHL CCC(=O)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589419753 954588266 /nfs/dbraw/zinc/58/82/66/954588266.db2.gz HIBKVTCXNNRBCL-ZJUUUORDSA-N -2 3 324.299 0.952 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)C1CCC1 ZINC001594697933 956791844 /nfs/dbraw/zinc/79/18/44/956791844.db2.gz VZGWRAVMIJAQKB-ZDUSSCGKSA-N -2 3 320.345 0.739 20 0 DCADHL O=C(COC(=O)[C@@H](C(=O)[O-])C1CC1)[N-]C(=O)c1cccs1 ZINC001594698206 956795026 /nfs/dbraw/zinc/79/50/26/956795026.db2.gz BGCYYEOGZLGXKB-SNVBAGLBSA-N -2 3 311.315 0.659 20 0 DCADHL CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001573490228 959017293 /nfs/dbraw/zinc/01/72/93/959017293.db2.gz ZSXYJFGNAPETMA-BXKDBHETSA-N -2 3 308.338 0.234 20 0 DCADHL CCn1nc(C2CC2)cc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001362727441 959899829 /nfs/dbraw/zinc/89/98/29/959899829.db2.gz UYFCCGCJHFNMRV-UHFFFAOYSA-N -2 3 303.322 0.912 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(CO)cc1 ZINC000227454188 959949444 /nfs/dbraw/zinc/94/94/44/959949444.db2.gz VCLKLDGPUFHARF-UHFFFAOYSA-N -2 3 311.319 0.079 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(Cc3cc(=O)n4[n-]ccc4n3)C2)o1 ZINC001307732831 960157050 /nfs/dbraw/zinc/15/70/50/960157050.db2.gz QIQWKEKUHZEGKS-SECBINFHSA-N -2 3 316.321 0.491 20 0 DCADHL O=C(c1ccc(Cl)c([O-])c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001363031382 960320048 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COC(=O)C1([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC001598725428 995513958 /nfs/dbraw/zinc/51/39/58/995513958.db2.gz ZVLXEVZHPLODHI-UHFFFAOYSA-N -2 3 313.331 0.510 20 0 DCADHL COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598834595 996471383 /nfs/dbraw/zinc/47/13/83/996471383.db2.gz ZDTRRBPPNJUKND-UHFFFAOYSA-N -2 3 319.335 0.906 20 0 DCADHL CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001593953365 997031242 /nfs/dbraw/zinc/03/12/42/997031242.db2.gz UHMOEYCSBJXEIG-LURJTMIESA-N -2 3 320.348 0.071 20 0 DCADHL CO[C@@]12CCC[C@]1([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)CCO2 ZINC001599323787 997627258 /nfs/dbraw/zinc/62/72/58/997627258.db2.gz KMWGVUOQINYQDB-QWHCGFSZSA-N -2 3 319.379 0.456 20 0 DCADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]Cc1nc(C(=O)[O-])co1 ZINC001599044909 999144045 /nfs/dbraw/zinc/14/40/45/999144045.db2.gz GLDGRLDZYRMLBG-VIFPVBQESA-N -2 3 320.367 0.853 20 0 DCADHL C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594358062 999354532 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O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ncccc1[O-] ZINC001593196183 1167735817 /nfs/dbraw/zinc/73/58/17/1167735817.db2.gz KZCYXPRHDSKHEC-UHFFFAOYSA-N -2 3 312.293 0.820 20 0 DCADHL O=C(Nc1cc(CO)ccn1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593206003 1167739277 /nfs/dbraw/zinc/73/92/77/1167739277.db2.gz SKTUSCFQFVATSA-UHFFFAOYSA-N -2 3 312.289 0.712 20 0 DCADHL O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001593275593 1167751726 /nfs/dbraw/zinc/75/17/26/1167751726.db2.gz DAPAUWVBDNZOJT-JTQLQIEISA-N -2 3 318.293 0.184 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)CCCC(=O)[O-])CC2)n1 ZINC001600065394 1168111418 /nfs/dbraw/zinc/11/14/18/1168111418.db2.gz UNBCOQAOZNHOIQ-UHFFFAOYSA-N -2 3 308.338 0.394 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@](C)(C(N)=O)C(C)C)oc1C(=O)[O-] ZINC001600297720 1168159826 /nfs/dbraw/zinc/15/98/26/1168159826.db2.gz SCENMIITNJJLQU-GFCCVEGCSA-N -2 3 318.351 0.465 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC(=O)NC(C)C)oc1C(=O)[O-] ZINC001600298882 1168159924 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O=C([O-])[C@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001601476591 1168759802 /nfs/dbraw/zinc/75/98/02/1168759802.db2.gz UIOWTUNXLBBGQX-MNOVXSKESA-N -2 3 318.329 0.492 20 0 DCADHL O=C([O-])c1ccc(NCCNC(=O)c2ccc([O-])cc2)nn1 ZINC001601511622 1168770671 /nfs/dbraw/zinc/77/06/71/1168770671.db2.gz RMKYEJFSRDDSIZ-UHFFFAOYSA-N -2 3 302.290 0.722 20 0 DCADHL O=C([O-])CC1(CS(=O)(=O)[N-][C@@H]2CCCC23OCCO3)CC1 ZINC001601922316 1168935889 /nfs/dbraw/zinc/93/58/89/1168935889.db2.gz RFJFOHAZKMXOHH-SNVBAGLBSA-N -2 3 319.379 0.456 20 0 DCADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001601984922 1168953021 /nfs/dbraw/zinc/95/30/21/1168953021.db2.gz QZVVVEQBJOHJES-UHFFFAOYSA-N -3 3 319.339 0.421 20 0 DCADHL O=C([O-])c1ccc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)nn1 ZINC001602381747 1169066377 /nfs/dbraw/zinc/06/63/77/1169066377.db2.gz MCEUKWPMVMMCMQ-QMMMGPOBSA-N -2 3 302.294 0.361 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])o1 ZINC001602395999 1169069303 /nfs/dbraw/zinc/06/93/03/1169069303.db2.gz KSAPJPURGZHPIT-QMMMGPOBSA-N -3 3 317.319 0.900 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCn3ccnc3C2)o1 ZINC001602398367 1169071234 /nfs/dbraw/zinc/07/12/34/1169071234.db2.gz BNDQJZHWRJTWQI-QMMMGPOBSA-N -2 3 311.319 0.468 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cn1 ZINC001602399889 1169071551 /nfs/dbraw/zinc/07/15/51/1169071551.db2.gz RFYHACIQMQMZHV-UHFFFAOYSA-N -2 3 316.232 0.959 20 0 DCADHL O=C([O-])c1cnc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)nc1 ZINC001602531507 1169107796 /nfs/dbraw/zinc/10/77/96/1169107796.db2.gz OOCPQOBJOKIJGP-SECBINFHSA-N -2 3 302.294 0.361 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(O)CCCC1 ZINC001602588718 1169127129 /nfs/dbraw/zinc/12/71/29/1169127129.db2.gz IVBJLVVYLYJNBX-UHFFFAOYSA-N -2 3 306.365 0.425 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](CCO)C1CC1 ZINC001602586743 1169127707 /nfs/dbraw/zinc/12/77/07/1169127707.db2.gz GOISDGMDJRTGHW-ZETCQYMHSA-N -2 3 306.365 0.281 20 0 DCADHL O=C([O-])[C@@H](CC(F)F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001602656448 1169149016 /nfs/dbraw/zinc/14/90/16/1169149016.db2.gz OCCRASBXBIBUGC-OLKPEBQYSA-N -2 3 310.256 0.996 20 0 DCADHL C[C@@H](C(=O)[O-])C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001603033134 1169237570 /nfs/dbraw/zinc/23/75/70/1169237570.db2.gz WBZZIJDWPDGPRR-MRVPVSSYSA-N -2 3 303.322 0.939 20 0 DCADHL C[C@@H](C(=O)[O-])C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001603033134 1169237580 /nfs/dbraw/zinc/23/75/80/1169237580.db2.gz WBZZIJDWPDGPRR-MRVPVSSYSA-N -2 3 303.322 0.939 20 0 DCADHL CC(C)OC(=O)c1cc(NC(=O)c2cc(C(=O)[O-])on2)[n-]n1 ZINC001603907116 1169429418 /nfs/dbraw/zinc/42/94/18/1169429418.db2.gz BYQAQYQRAILYAV-UHFFFAOYSA-N -2 3 308.250 0.913 20 0 DCADHL CC(C)OC(=O)c1cc(NC(=O)c2cc(C(=O)[O-])on2)n[n-]1 ZINC001603907116 1169429421 /nfs/dbraw/zinc/42/94/21/1169429421.db2.gz BYQAQYQRAILYAV-UHFFFAOYSA-N -2 3 308.250 0.913 20 0 DCADHL CC(C)c1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c([O-])c1 ZINC001603997029 1169468692 /nfs/dbraw/zinc/46/86/92/1169468692.db2.gz SOUBJKXQGPQCLL-GFCCVEGCSA-N -2 3 318.333 0.990 20 0 DCADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccn2)cn1 ZINC001604606188 1169627641 /nfs/dbraw/zinc/62/76/41/1169627641.db2.gz AORJVKLLPLBYPD-UHFFFAOYSA-N -2 3 320.338 0.279 20 0 DCADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccn2)cn1 ZINC001604606188 1169627643 /nfs/dbraw/zinc/62/76/43/1169627643.db2.gz AORJVKLLPLBYPD-UHFFFAOYSA-N -2 3 320.338 0.279 20 0 DCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)C2CCC(C(=O)[O-])CC2)C(=O)O1 ZINC001604677882 1169653532 /nfs/dbraw/zinc/65/35/32/1169653532.db2.gz VEBCIJSQPVMJOI-WOOKNIGNSA-N -2 3 305.352 0.253 20 0 DCADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001604838658 1169702986 /nfs/dbraw/zinc/70/29/86/1169702986.db2.gz YCLSEKLIDYQXHO-MADCSZMMSA-N -2 3 323.330 0.908 20 0 DCADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001604853592 1169710755 /nfs/dbraw/zinc/71/07/55/1169710755.db2.gz VBGIVWKSQRXADD-QMMMGPOBSA-N -3 3 319.291 0.079 20 0 DCADHL CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604923675 1169746280 /nfs/dbraw/zinc/74/62/80/1169746280.db2.gz OEPVVADDLIDGOX-HQJQHLMTSA-N -2 3 322.408 0.917 20 0 DCADHL CC[C@H](CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001605022575 1169781908 /nfs/dbraw/zinc/78/19/08/1169781908.db2.gz UECMGXLUXSMKMJ-ZCFIWIBFSA-N -3 3 322.364 0.621 20 0 DCADHL CC[C@@H](C[N-]S(=O)(=O)c1c(C)nn2cccnc12)C(=O)[O-] ZINC001605040137 1169792145 /nfs/dbraw/zinc/79/21/45/1169792145.db2.gz GHHAOKZRDRFIMA-VIFPVBQESA-N -2 3 312.351 0.427 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2cc(-c3nnn[n-]3)cc(C)n2)C1 ZINC001605065090 1169801604 /nfs/dbraw/zinc/80/16/04/1169801604.db2.gz NSEKFQOCACELCC-AWEZNQCLSA-N -2 3 318.337 0.498 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2cc(-c3nn[n-]n3)cc(C)n2)C1 ZINC001605065090 1169801612 /nfs/dbraw/zinc/80/16/12/1169801612.db2.gz NSEKFQOCACELCC-AWEZNQCLSA-N -2 3 318.337 0.498 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1CSc1n[nH]c(=O)[n-]1 ZINC001605169244 1169856692 /nfs/dbraw/zinc/85/66/92/1169856692.db2.gz ZZPVFUMKMFNWJG-UHFFFAOYSA-N -2 3 305.323 0.991 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1CSc1n[nH]c(=O)[n-]1 ZINC001605169244 1169856699 /nfs/dbraw/zinc/85/66/99/1169856699.db2.gz ZZPVFUMKMFNWJG-UHFFFAOYSA-N -2 3 305.323 0.991 20 0 DCADHL CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605206281 1169868009 /nfs/dbraw/zinc/86/80/09/1169868009.db2.gz URNNUSHGNGAORO-HTQZYQBOSA-N -2 3 322.408 0.917 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2ccon2)cc1-c1nnn[n-]1 ZINC001606091177 1170074803 /nfs/dbraw/zinc/07/48/03/1170074803.db2.gz DNWGLXNDUOWJFP-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2ccon2)cc1-c1nn[n-]n1 ZINC001606091177 1170074807 /nfs/dbraw/zinc/07/48/07/1170074807.db2.gz DNWGLXNDUOWJFP-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC001606505723 1170221950 /nfs/dbraw/zinc/22/19/50/1170221950.db2.gz TYZIKPAYWDBBTI-SNVBAGLBSA-N -2 3 313.281 0.596 20 0 DCADHL COC(=O)c1csc(S(=O)(=O)[N-]C/C=C(/C)C(=O)[O-])c1 ZINC001606634099 1170247569 /nfs/dbraw/zinc/24/75/69/1170247569.db2.gz RSESNHKXYDNZQO-CLTKARDFSA-N -2 3 319.360 0.844 20 0 DCADHL COCCOC[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001606903110 1170327003 /nfs/dbraw/zinc/32/70/03/1170327003.db2.gz AZZYOCHBXNMTKP-ZETCQYMHSA-N -2 3 324.380 0.171 20 0 DCADHL COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)C(=O)[O-])c1 ZINC001607328872 1170429898 /nfs/dbraw/zinc/42/98/98/1170429898.db2.gz DKHXKTXTVVGNTK-PPRQPISWSA-N -2 3 314.315 0.388 20 0 DCADHL Cn1ncc(CCC[N-]S(=O)(=O)c2occc2C(=O)[O-])n1 ZINC001608158111 1170600893 /nfs/dbraw/zinc/60/08/93/1170600893.db2.gz WRHGGRBUZYSFOR-UHFFFAOYSA-N -2 3 314.323 0.017 20 0 DCADHL O=C([O-])c1nsc([N-]C(=O)c2cc3c(cn2)OCCO3)n1 ZINC001608525065 1170695383 /nfs/dbraw/zinc/69/53/83/1170695383.db2.gz JLGDMHFANUJRCA-UHFFFAOYSA-N -2 3 308.275 0.655 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC001608606199 1170715414 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C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cn(C)cn1 ZINC000087673018 415514556 /nfs/dbraw/zinc/51/45/56/415514556.db2.gz LVNUTOACISBWPP-NXEZZACHSA-N -2 3 303.384 0.978 20 0 DCADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(C)ccc2[O-])o1 ZINC000345920644 416169859 /nfs/dbraw/zinc/16/98/59/416169859.db2.gz CTTHNMRMWUNYKT-UHFFFAOYSA-N -2 3 311.319 0.849 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1c[n-]c2ccccc2c1=O ZINC000359523859 416349457 /nfs/dbraw/zinc/34/94/57/416349457.db2.gz IRLQVDHECMOBGF-UHFFFAOYSA-N -2 3 313.317 0.714 20 0 DCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000422578056 416440795 /nfs/dbraw/zinc/44/07/95/416440795.db2.gz CTTMOPFNLLBIEF-DTWKUNHWSA-N -2 3 308.338 0.574 20 0 DCADHL COC(=O)c1cccc([N-]S(=O)(=O)C[C@@H](C)OC)c1[O-] ZINC000436520618 416562445 /nfs/dbraw/zinc/56/24/45/416562445.db2.gz HYFWLABGPXATJO-MRVPVSSYSA-N -2 3 303.336 0.955 20 0 DCADHL Cc1cc(C(=O)N2CC(N(C)C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000537121369 416553215 /nfs/dbraw/zinc/55/32/15/416553215.db2.gz QOKFZZZIISTZGE-UHFFFAOYSA-N -2 3 303.322 0.130 20 0 DCADHL C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])C1 ZINC000538093170 416564841 /nfs/dbraw/zinc/56/48/41/416564841.db2.gz QDKZRRZFMUYIAG-IUCAKERBSA-N -2 3 316.383 0.753 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-]CCc2nc(C(=O)[O-])cs2)n1 ZINC000514601011 416663477 /nfs/dbraw/zinc/66/34/77/416663477.db2.gz XDQYWMXBMLMSDN-UHFFFAOYSA-N -2 3 316.364 0.096 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)o1 ZINC000521997399 417039437 /nfs/dbraw/zinc/03/94/37/417039437.db2.gz JEIMCLYVSWKERD-SECBINFHSA-N -2 3 319.335 0.452 20 0 DCADHL CC(C)[C@H](C(=O)[O-])N1CC[C@@H](NC(=O)c2ccccc2[O-])C1=O ZINC000449119669 417123184 /nfs/dbraw/zinc/12/31/84/417123184.db2.gz AGVOISMDBISVOO-DGCLKSJQSA-N -2 3 320.345 0.832 20 0 DCADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1c(C(=O)[O-])cnn1C ZINC000530148270 417542711 /nfs/dbraw/zinc/54/27/11/417542711.db2.gz BHXVJSLNAAJDHF-UHFFFAOYSA-N -2 3 314.323 0.202 20 0 DCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000645972931 417838105 /nfs/dbraw/zinc/83/81/05/417838105.db2.gz CZCQVQFJAQGGFT-RQJHMYQMSA-N -2 3 306.365 0.687 20 0 DCADHL C[C@]([N-]S(=O)(=O)c1cnn2c1OCCC2)(C(=O)[O-])C1CC1 ZINC000646026837 417852777 /nfs/dbraw/zinc/85/27/77/417852777.db2.gz RFLQLAODZSSLQU-GFCCVEGCSA-N -2 3 315.351 0.197 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)cn1C ZINC000663255010 418005209 /nfs/dbraw/zinc/00/52/09/418005209.db2.gz OGQUYYHYUQVJHQ-JTQLQIEISA-N -2 3 301.368 0.508 20 0 DCADHL CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@@H](C)C(=O)[O-] ZINC000659777666 418180649 /nfs/dbraw/zinc/18/06/49/418180649.db2.gz YMSQTLILMHWOOG-VIFPVBQESA-N -2 3 314.363 0.993 20 0 DCADHL CC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1[O-] ZINC000659780745 418181300 /nfs/dbraw/zinc/18/13/00/418181300.db2.gz SUXYDJJFBHPWNB-BDJLRTHQSA-N -2 3 319.313 0.768 20 0 DCADHL CC(C)(NC(=O)c1nn(-c2ccccc2)cc1[O-])c1nnn[n-]1 ZINC000362817258 262075835 /nfs/dbraw/zinc/07/58/35/262075835.db2.gz JTUADDMAGQUYDL-UHFFFAOYSA-N -2 3 313.321 0.756 20 0 DCADHL CC(C)(NC(=O)c1nn(-c2ccccc2)cc1[O-])c1nn[n-]n1 ZINC000362817258 262075838 /nfs/dbraw/zinc/07/58/38/262075838.db2.gz JTUADDMAGQUYDL-UHFFFAOYSA-N -2 3 313.321 0.756 20 0 DCADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548200847 288120472 /nfs/dbraw/zinc/12/04/72/288120472.db2.gz RLBSTYKJHBJTTO-BXKDBHETSA-N -2 3 317.338 0.902 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)cn1C ZINC000554674884 288335104 /nfs/dbraw/zinc/33/51/04/288335104.db2.gz IXWZWKPKVVFAEL-CPCISQLKSA-N -2 3 301.368 0.506 20 0 DCADHL CCCSC[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000564708973 288760744 /nfs/dbraw/zinc/76/07/44/288760744.db2.gz NSCIWKLVGMMICF-VIFPVBQESA-N -2 3 321.424 0.603 20 0 DCADHL C[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1C(=O)[O-] ZINC000564967896 288798581 /nfs/dbraw/zinc/79/85/81/288798581.db2.gz VCGJSPHWYPNIDS-QPUJVOFHSA-N -2 3 316.313 0.896 20 0 DCADHL C[C@H](CC(=O)[O-])N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000583642598 336014259 /nfs/dbraw/zinc/01/42/59/336014259.db2.gz LSAJYFMJBSDZGR-SECBINFHSA-N -2 3 314.363 0.993 20 0 DCADHL CCOc1ccncc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1 ZINC000582484826 337097195 /nfs/dbraw/zinc/09/71/95/337097195.db2.gz OTTYQXKGLYJCEK-GFCCVEGCSA-N -2 3 316.335 0.002 20 0 DCADHL CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000584599009 337370617 /nfs/dbraw/zinc/37/06/17/337370617.db2.gz PAZJMPKWNWBJEI-SECBINFHSA-N -2 3 318.326 0.083 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)OC ZINC001596001906 1159776121 /nfs/dbraw/zinc/77/61/21/1159776121.db2.gz BVNQQWOCWMKSNF-SNVBAGLBSA-N -2 3 321.395 0.893 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1 ZINC001602589327 1159784959 /nfs/dbraw/zinc/78/49/59/1159784959.db2.gz ZHMJAUXGCSGRDJ-QMMMGPOBSA-N -2 3 320.392 0.528 20 0 DCADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC ZINC001604954457 1159791757 /nfs/dbraw/zinc/79/17/57/1159791757.db2.gz IBJJCOUHYSRFTQ-NXEZZACHSA-N -2 3 321.395 0.891 20 0 DCADHL O=C([O-])[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C1CCOCC1 ZINC000668311798 546726270 /nfs/dbraw/zinc/72/62/70/546726270.db2.gz DQCGVWCSPKCDJJ-LBPRGKRZSA-N -2 3 304.306 0.568 20 0 DCADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc3ccccn3n2)co1 ZINC000677805343 547905106 /nfs/dbraw/zinc/90/51/06/547905106.db2.gz XODUFNQMZIZOJO-UHFFFAOYSA-N -2 3 321.318 0.483 20 0 DCADHL O=C(NCc1nnn[n-]1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000679408927 548055255 /nfs/dbraw/zinc/05/52/55/548055255.db2.gz PLADUALIXUGIMU-UHFFFAOYSA-N -2 3 303.257 0.160 20 0 DCADHL O=C(NCc1nn[n-]n1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000679408927 548055256 /nfs/dbraw/zinc/05/52/56/548055256.db2.gz PLADUALIXUGIMU-UHFFFAOYSA-N -2 3 303.257 0.160 20 0 DCADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c(F)c1 ZINC000682896772 548436874 /nfs/dbraw/zinc/43/68/74/548436874.db2.gz RNJQXLASOUIIHM-LLVKDONJSA-N -2 3 303.311 0.976 20 0 DCADHL O=C(NCc1nnn[n-]1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000684049223 548559373 /nfs/dbraw/zinc/55/93/73/548559373.db2.gz VCYROGRPNLMMHU-UHFFFAOYSA-N -2 3 319.712 0.674 20 0 DCADHL O=C(NCc1nn[n-]n1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000684049223 548559377 /nfs/dbraw/zinc/55/93/77/548559377.db2.gz VCYROGRPNLMMHU-UHFFFAOYSA-N -2 3 319.712 0.674 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1C ZINC000737225656 599029820 /nfs/dbraw/zinc/02/98/20/599029820.db2.gz FVEUZIQZTIJIDI-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1C ZINC000737225656 599029822 /nfs/dbraw/zinc/02/98/22/599029822.db2.gz FVEUZIQZTIJIDI-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)no2)o1 ZINC000740177081 599775970 /nfs/dbraw/zinc/77/59/70/599775970.db2.gz AJZGMTGBOAIKJB-UHFFFAOYSA-N -2 3 313.291 0.717 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000387277253 597533962 /nfs/dbraw/zinc/53/39/62/597533962.db2.gz JLWFLLZHGFMFQX-SSDOTTSWSA-N -2 3 303.274 0.509 20 0 DCADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737627007 598593876 /nfs/dbraw/zinc/59/38/76/598593876.db2.gz HJEMTPTYNCQIKE-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737627007 598593879 /nfs/dbraw/zinc/59/38/79/598593879.db2.gz HJEMTPTYNCQIKE-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737612400 599500256 /nfs/dbraw/zinc/50/02/56/599500256.db2.gz JJRRMQCMYITWDR-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737612400 599500258 /nfs/dbraw/zinc/50/02/58/599500258.db2.gz JJRRMQCMYITWDR-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822478095 599691749 /nfs/dbraw/zinc/69/17/49/599691749.db2.gz QMKKRNSLUYJWCH-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736242034 599776398 /nfs/dbraw/zinc/77/63/98/599776398.db2.gz PURMVISFVJLGHZ-UHFFFAOYSA-N -2 3 318.351 0.418 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)Cn2cccn2)cc1C(=O)[O-] ZINC000833028986 601216893 /nfs/dbraw/zinc/21/68/93/601216893.db2.gz VFNSMTXUXNLMAC-QMMMGPOBSA-N -2 3 313.335 0.850 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)cc1C(=O)[O-] ZINC000833028108 601222679 /nfs/dbraw/zinc/22/26/79/601222679.db2.gz JICVKHXJGWSQDD-MRVPVSSYSA-N -2 3 316.335 0.185 20 0 DCADHL C[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C(=O)[O-] ZINC000827570728 601614288 /nfs/dbraw/zinc/61/42/88/601614288.db2.gz FYHHJPAZCWFACJ-ZCFIWIBFSA-N -3 3 303.292 0.553 20 0 DCADHL Cn1cc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1C(=O)[O-] ZINC000833045912 601761176 /nfs/dbraw/zinc/76/11/76/601761176.db2.gz SRFRRDPVAFVHJL-UHFFFAOYSA-N -2 3 317.301 0.797 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCC[C@H]2CNC(=O)[O-])c(=O)[n-]1 ZINC000830716326 603135136 /nfs/dbraw/zinc/13/51/36/603135136.db2.gz RLTFSNGIYGADOQ-JTQLQIEISA-N -2 3 308.338 0.600 20 0 DCADHL Cc1nc(C)c(CC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)c(=O)[n-]1 ZINC000830716708 603762321 /nfs/dbraw/zinc/76/23/21/603762321.db2.gz WOYNQTQFPDQVIR-LLVKDONJSA-N -2 3 323.305 0.206 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)nc1Cl ZINC000833053343 604408070 /nfs/dbraw/zinc/40/80/70/604408070.db2.gz GJJRGPPXDNINID-JTQLQIEISA-N -2 3 307.759 0.605 20 0 DCADHL CC(C)[C@H](NC(=O)[O-])C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000736370797 604410920 /nfs/dbraw/zinc/41/09/20/604410920.db2.gz PRIIMQLZGCXSQV-LBPRGKRZSA-N -2 3 323.349 0.530 20 0 DCADHL CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833504817 605207668 /nfs/dbraw/zinc/20/76/68/605207668.db2.gz PMNZMQKRHWZURK-QMMMGPOBSA-N -2 3 319.335 0.844 20 0 DCADHL CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833657365 605423240 /nfs/dbraw/zinc/42/32/40/605423240.db2.gz QSXJNDIUMOXAJL-SFYZADRCSA-N -2 3 319.335 0.844 20 0 DCADHL CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833657784 605423541 /nfs/dbraw/zinc/42/35/41/605423541.db2.gz UANVWSGKIQFJAP-JGVFFNPUSA-N -2 3 319.335 0.844 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](NC(=O)[O-])C1CC1 ZINC000833932256 605805429 /nfs/dbraw/zinc/80/54/29/605805429.db2.gz LOGKUHLPNIVRPR-VIFPVBQESA-N -2 3 303.340 0.616 20 0 DCADHL O=C([O-])N1CC[C@@H](CNC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000834291368 606072346 /nfs/dbraw/zinc/07/23/46/606072346.db2.gz YFFXKOWXCOXTKQ-XNFYSYIQSA-N -2 3 315.329 0.887 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822333103 606711054 /nfs/dbraw/zinc/71/10/54/606711054.db2.gz WNXGIJCONSFPKQ-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL COCCO[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821693081 607055087 /nfs/dbraw/zinc/05/50/87/607055087.db2.gz QHLYUXWUVXEMOG-UHFFFAOYSA-N -2 3 321.337 0.718 20 0 DCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825074925 608144558 /nfs/dbraw/zinc/14/45/58/608144558.db2.gz LDYBOKDMILLRBP-QMMMGPOBSA-N -2 3 309.351 0.725 20 0 DCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825074925 608144559 /nfs/dbraw/zinc/14/45/59/608144559.db2.gz LDYBOKDMILLRBP-QMMMGPOBSA-N -2 3 309.351 0.725 20 0 DCADHL COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000826211913 608307276 /nfs/dbraw/zinc/30/72/76/608307276.db2.gz ZVHDUIVHGCTQGK-UHFFFAOYSA-N -2 3 321.322 0.399 20 0 DCADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000068239560 665410049 /nfs/dbraw/zinc/41/00/49/665410049.db2.gz NOVSGORTCBWEIZ-UHFFFAOYSA-N -2 3 314.367 0.078 20 0 DCADHL O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC000738247915 667662392 /nfs/dbraw/zinc/66/23/92/667662392.db2.gz UFXDFJODVPEKAA-JTQLQIEISA-N -2 3 309.713 0.772 20 0 DCADHL O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000738247915 667662395 /nfs/dbraw/zinc/66/23/95/667662395.db2.gz UFXDFJODVPEKAA-JTQLQIEISA-N -2 3 309.713 0.772 20 0 DCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)CC2CCC2)c(=O)[n-]1 ZINC000755125735 668056377 /nfs/dbraw/zinc/05/63/77/668056377.db2.gz CJMGYDGAUXOKNB-UHFFFAOYSA-N -2 3 313.379 0.588 20 0 DCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C/C=C/C(=O)[O-] ZINC000788444818 669440210 /nfs/dbraw/zinc/44/02/10/669440210.db2.gz BUCMNJXFIJMION-NSCUHMNNSA-N -2 3 317.294 0.531 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])nc1Cl ZINC000794913886 669867548 /nfs/dbraw/zinc/86/75/48/669867548.db2.gz GFDPRXXFPNPGEU-QMMMGPOBSA-N -2 3 321.786 0.995 20 0 DCADHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000048653517 669940922 /nfs/dbraw/zinc/94/09/22/669940922.db2.gz FXUBTRCDLBXUMT-UHFFFAOYSA-N -2 3 301.324 0.869 20 0 DCADHL CC(C)[C@@H](CNC(=O)NCc1nc(C(F)(F)F)n[n-]1)C(=O)[O-] ZINC000848583028 670698002 /nfs/dbraw/zinc/69/80/02/670698002.db2.gz TVLGSFFHSNKXHY-ZCFIWIBFSA-N -2 3 323.275 0.980 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)nc1Cl ZINC000853024493 671202746 /nfs/dbraw/zinc/20/27/46/671202746.db2.gz LDGLQFGPVHDADY-MRVPVSSYSA-N -2 3 321.786 0.853 20 0 DCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000824730689 671438730 /nfs/dbraw/zinc/43/87/30/671438730.db2.gz PSBWAMIFDYVQSX-RKDXNWHRSA-N -2 3 319.321 0.566 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncccn1 ZINC000826279798 671483316 /nfs/dbraw/zinc/48/33/16/671483316.db2.gz CLTYDCOOQCEVTG-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1onc(CC(=O)Nc2ncccc2[O-])c1-c1nnn[n-]1 ZINC000826349582 671486269 /nfs/dbraw/zinc/48/62/69/671486269.db2.gz MZSMQPIPDUOLLW-UHFFFAOYSA-N -2 3 301.266 0.445 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)n1 ZINC000826363651 671486685 /nfs/dbraw/zinc/48/66/85/671486685.db2.gz WEJGASFCYAYUMF-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450580 671488341 /nfs/dbraw/zinc/48/83/41/671488341.db2.gz SFUYNZXCXJYWID-UHFFFAOYSA-N -2 3 318.318 0.314 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450580 671488343 /nfs/dbraw/zinc/48/83/43/671488343.db2.gz SFUYNZXCXJYWID-UHFFFAOYSA-N -2 3 318.318 0.314 20 0 DCADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)[N-]OC(C)C ZINC001569694825 1161197400 /nfs/dbraw/zinc/19/74/00/1161197400.db2.gz ZPQPUDJXYUHGBO-UHFFFAOYSA-N -2 3 303.322 0.946 20 0 DCADHL CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573665610 1163526825 /nfs/dbraw/zinc/52/68/25/1163526825.db2.gz BDNPTDYLYZLXBU-NSHDSACASA-N -2 3 316.321 0.730 20 0 DCADHL CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573665610 1163526831 /nfs/dbraw/zinc/52/68/31/1163526831.db2.gz BDNPTDYLYZLXBU-NSHDSACASA-N -2 3 316.321 0.730 20 0 DCADHL O=C([O-])CC1([N-]S(=O)(=O)C[C@H]2CC3(CCC3)CO2)COC1 ZINC001574365117 1163706889 /nfs/dbraw/zinc/70/68/89/1163706889.db2.gz NBDCDJMKMZRIPY-SNVBAGLBSA-N -2 3 319.379 0.109 20 0 DCADHL O=C([O-])N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574380788 1163710044 /nfs/dbraw/zinc/71/00/44/1163710044.db2.gz HUEVBVWTSZBMAI-SECBINFHSA-N -2 3 317.309 0.134 20 0 DCADHL O=C([O-])N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574380788 1163710051 /nfs/dbraw/zinc/71/00/51/1163710051.db2.gz HUEVBVWTSZBMAI-SECBINFHSA-N -2 3 317.309 0.134 20 0 DCADHL CCN(C)C(=O)N(CC(=O)[O-])Cc1cccc(-c2nn[n-]n2)c1 ZINC001590677073 1166966233 /nfs/dbraw/zinc/96/62/33/1166966233.db2.gz VGPABOPYXYIMFX-UHFFFAOYSA-N -2 3 318.337 0.825 20 0 DCADHL CCOC(=O)C1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590754150 1167006397 /nfs/dbraw/zinc/00/63/97/1167006397.db2.gz RRTIHBMESSOZHU-UHFFFAOYSA-N -2 3 317.305 0.620 20 0 DCADHL CCOC(=O)C1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590754150 1167006412 /nfs/dbraw/zinc/00/64/12/1167006412.db2.gz RRTIHBMESSOZHU-UHFFFAOYSA-N -2 3 317.305 0.620 20 0 DCADHL CO[C@H]1C[C@@H](CC(=O)[O-])N(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001591344569 1167224574 /nfs/dbraw/zinc/22/45/74/1167224574.db2.gz APLDJEBIULAMJV-UWVGGRQHSA-N -2 3 318.337 0.639 20 0 DCADHL CO[C@H]1C[C@@H](CC(=O)[O-])N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001591344569 1167224576 /nfs/dbraw/zinc/22/45/76/1167224576.db2.gz APLDJEBIULAMJV-UWVGGRQHSA-N -2 3 318.337 0.639 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001591467611 1167300172 /nfs/dbraw/zinc/30/01/72/1167300172.db2.gz RZMUQILIZLQWOO-UHFFFAOYSA-N -2 3 320.309 0.270 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001591467611 1167300178 /nfs/dbraw/zinc/30/01/78/1167300178.db2.gz RZMUQILIZLQWOO-UHFFFAOYSA-N -2 3 320.309 0.270 20 0 DCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC001591875639 1167405698 /nfs/dbraw/zinc/40/56/98/1167405698.db2.gz IVLLQZXZABBHDH-UHFFFAOYSA-N -2 3 322.350 0.182 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC001591875639 1167405701 /nfs/dbraw/zinc/40/57/01/1167405701.db2.gz IVLLQZXZABBHDH-UHFFFAOYSA-N -2 3 322.350 0.182 20 0 DCADHL Cc1nc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592342356 1167497185 /nfs/dbraw/zinc/49/71/85/1167497185.db2.gz ANLVHADZURRBHC-QMMMGPOBSA-N -2 3 302.294 0.117 20 0 DCADHL Cc1nc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592342356 1167497196 /nfs/dbraw/zinc/49/71/96/1167497196.db2.gz ANLVHADZURRBHC-QMMMGPOBSA-N -2 3 302.294 0.117 20 0 DCADHL Cc1nnc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)s1 ZINC001592441702 1167524862 /nfs/dbraw/zinc/52/48/62/1167524862.db2.gz VXAISIGYXGXHEC-UHFFFAOYSA-N -2 3 317.334 0.679 20 0 DCADHL Cc1nnc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)s1 ZINC001592441702 1167524870 /nfs/dbraw/zinc/52/48/70/1167524870.db2.gz VXAISIGYXGXHEC-UHFFFAOYSA-N -2 3 317.334 0.679 20 0 DCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592889700 1167658689 /nfs/dbraw/zinc/65/86/89/1167658689.db2.gz VPEDURWNLVUZDY-AOOOYVTPSA-N -2 3 317.305 0.225 20 0 DCADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001593276672 1167753180 /nfs/dbraw/zinc/75/31/80/1167753180.db2.gz NLNISJQXMNQSQR-QMMMGPOBSA-N -2 3 304.310 0.664 20 0 DCADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001593276672 1167753185 /nfs/dbraw/zinc/75/31/85/1167753185.db2.gz NLNISJQXMNQSQR-QMMMGPOBSA-N -2 3 304.310 0.664 20 0 DCADHL O=C([O-])CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001593278046 1167754423 /nfs/dbraw/zinc/75/44/23/1167754423.db2.gz OBDAGCJAHSFHIH-UHFFFAOYSA-N -2 3 318.337 0.912 20 0 DCADHL O=C([O-])CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001593278046 1167754430 /nfs/dbraw/zinc/75/44/30/1167754430.db2.gz OBDAGCJAHSFHIH-UHFFFAOYSA-N -2 3 318.337 0.912 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001593490046 1167876725 /nfs/dbraw/zinc/87/67/25/1167876725.db2.gz VMZWJCRXBPCTQL-SECBINFHSA-N -2 3 314.309 0.734 20 0 DCADHL O=c1[n-]c(C2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n[nH]1 ZINC001593497372 1167880268 /nfs/dbraw/zinc/88/02/68/1167880268.db2.gz AFBAYQWBOSODRY-UHFFFAOYSA-N -2 3 313.325 0.469 20 0 DCADHL O=c1[n-]c([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)n[nH]1 ZINC001593498048 1167880284 /nfs/dbraw/zinc/88/02/84/1167880284.db2.gz PWSNAOLUUDHGKZ-SECBINFHSA-N -2 3 313.325 0.469 20 0 DCADHL O=c1[n-]c([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)n[nH]1 ZINC001593498048 1167880287 /nfs/dbraw/zinc/88/02/87/1167880287.db2.gz PWSNAOLUUDHGKZ-SECBINFHSA-N -2 3 313.325 0.469 20 0 DCADHL Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])o1 ZINC001600387394 1168177497 /nfs/dbraw/zinc/17/74/97/1168177497.db2.gz XYPCMXRHYFVHBD-QMMMGPOBSA-N -2 3 315.307 0.021 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)c2nccn2C)c1C(=O)[O-] ZINC001600672258 1168240190 /nfs/dbraw/zinc/24/01/90/1168240190.db2.gz BFPSQXVAOOKURL-ZETCQYMHSA-N -2 3 313.339 0.189 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1 ZINC001600818111 1168474636 /nfs/dbraw/zinc/47/46/36/1168474636.db2.gz JOZOBDHVXVCOCY-LLVKDONJSA-N -2 3 304.324 0.285 20 0 DCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001601140450 1168595761 /nfs/dbraw/zinc/59/57/61/1168595761.db2.gz VUGRJENOMFYWSD-LLVKDONJSA-N -2 3 324.314 0.483 20 0 DCADHL O=C([O-])[C@@]1(CNC(=O)c2nnc3ccccc3c2[O-])CCOC1 ZINC001601473635 1168758254 /nfs/dbraw/zinc/75/82/54/1168758254.db2.gz VFBCFXMZMYYHMU-OAHLLOKOSA-N -2 3 317.301 0.557 20 0 DCADHL O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC001601757550 1168854871 /nfs/dbraw/zinc/85/48/71/1168854871.db2.gz HEEINDMOEQBJTF-JQWIXIFHSA-N -2 3 317.301 0.386 20 0 DCADHL O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001601812243 1168902422 /nfs/dbraw/zinc/90/24/22/1168902422.db2.gz ZUWTXOXTSCILBN-LLVKDONJSA-N -2 3 316.321 0.731 20 0 DCADHL O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001601812243 1168902429 /nfs/dbraw/zinc/90/24/29/1168902429.db2.gz ZUWTXOXTSCILBN-LLVKDONJSA-N -2 3 316.321 0.731 20 0 DCADHL O=C([O-])C[C@@]1(NC(=O)c2cc3c(cc2[O-])OCO3)CCOC1 ZINC001601929748 1168937904 /nfs/dbraw/zinc/93/79/04/1168937904.db2.gz KZACEGQQDXBLRL-AWEZNQCLSA-N -2 3 309.274 0.485 20 0 DCADHL O=C([O-])CCSCCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001602029087 1168972048 /nfs/dbraw/zinc/97/20/48/1168972048.db2.gz DUWLDGWCYIODPK-UHFFFAOYSA-N -2 3 322.350 0.199 20 0 DCADHL O=C([O-])CCSCCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001602029087 1168972053 /nfs/dbraw/zinc/97/20/53/1168972053.db2.gz DUWLDGWCYIODPK-UHFFFAOYSA-N -2 3 322.350 0.199 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(CCF)C2)o1 ZINC001602396931 1169070018 /nfs/dbraw/zinc/07/00/18/1169070018.db2.gz FFQRYRAXFKGQNA-SECBINFHSA-N -2 3 320.342 0.690 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@H]2O)o1 ZINC001602401538 1169074110 /nfs/dbraw/zinc/07/41/10/1169074110.db2.gz YOGMSYWJHHXFRL-ZWNOBZJWSA-N -2 3 323.326 0.914 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H](O)c2ccccn2)c1 ZINC001602556248 1169116728 /nfs/dbraw/zinc/11/67/28/1169116728.db2.gz DXGWZMDZRCMPMO-JTQLQIEISA-N -2 3 312.303 0.385 20 0 DCADHL CC(=O)Nc1c(C)[n-]n(Cc2cccc(-c3nn[n-]n3)c2)c1=O ZINC001602939334 1169212906 /nfs/dbraw/zinc/21/29/06/1169212906.db2.gz OQBSOXNKZOETRT-GFCCVEGCSA-N -2 3 313.321 0.090 20 0 DCADHL C[C@H](CNC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603535722 1169318276 /nfs/dbraw/zinc/31/82/76/1169318276.db2.gz OSJQJNHGWNJJIQ-MRVPVSSYSA-N -2 3 304.310 0.387 20 0 DCADHL C[C@H](CNC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603535722 1169318280 /nfs/dbraw/zinc/31/82/80/1169318280.db2.gz OSJQJNHGWNJJIQ-MRVPVSSYSA-N -2 3 304.310 0.387 20 0 DCADHL CC(C)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c([O-])c1 ZINC001603997030 1169468765 /nfs/dbraw/zinc/46/87/65/1169468765.db2.gz SOUBJKXQGPQCLL-LBPRGKRZSA-N -2 3 318.333 0.990 20 0 DCADHL C[C@@]1(CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-])CC1(Cl)Cl ZINC001604582669 1169624078 /nfs/dbraw/zinc/62/40/78/1169624078.db2.gz CNLJVBDNBAVLBE-FSPLSTOPSA-N -2 3 308.158 0.912 20 0 DCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001604635222 1169638782 /nfs/dbraw/zinc/63/87/82/1169638782.db2.gz ZADQTXGGFWMBGY-RITPCOANSA-N -2 3 321.259 0.828 20 0 DCADHL CN(CC(=O)[O-])C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604712570 1169661733 /nfs/dbraw/zinc/66/17/33/1169661733.db2.gz ZTZKGQOBLFVNFA-UHFFFAOYSA-N -2 3 303.322 0.687 20 0 DCADHL CNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC001604899193 1169736092 /nfs/dbraw/zinc/73/60/92/1169736092.db2.gz QSZWJAAEKQOJLI-UHFFFAOYSA-N -2 3 320.338 0.432 20 0 DCADHL COC(=O)Cc1c[n-]n(Cc2cccc(-c3nn[n-]n3)c2)c1=O ZINC001604930968 1169751242 /nfs/dbraw/zinc/75/12/42/1169751242.db2.gz UUESNTMJKXUIDV-NSHDSACASA-N -2 3 314.305 0.374 20 0 DCADHL COc1ccc(CSc2n[nH]c(=O)[n-]2)cc1-c1nnn[n-]1 ZINC001605289873 1169887298 /nfs/dbraw/zinc/88/72/98/1169887298.db2.gz NOPANOJOEDRVPV-UHFFFAOYSA-N -2 3 305.323 0.991 20 0 DCADHL COc1ccc(CSc2n[nH]c(=O)[n-]2)cc1-c1nn[n-]n1 ZINC001605289873 1169887306 /nfs/dbraw/zinc/88/73/06/1169887306.db2.gz NOPANOJOEDRVPV-UHFFFAOYSA-N -2 3 305.323 0.991 20 0 DCADHL CCOC(=O)[C@@H](CSC)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001605514328 1169945094 /nfs/dbraw/zinc/94/50/94/1169945094.db2.gz TXSWWEZBMJCSRQ-MRVPVSSYSA-N -2 3 313.397 0.065 20 0 DCADHL COC(=O)C1(NC(=O)c2cc(=O)[n-]cn2)CCC(C(=O)[O-])CC1 ZINC001606352362 1170167767 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CO[C@@H](C[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)CC(=O)[O-] ZINC000682699029 548420748 /nfs/dbraw/zinc/42/07/48/548420748.db2.gz SXNHBCMAVBNAEW-MRVPVSSYSA-N -2 3 305.356 0.301 20 0 DCADHL C[C@H](CCO)SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC000735986150 599107952 /nfs/dbraw/zinc/10/79/52/599107952.db2.gz MHUWSRVFKILWNX-SSDOTTSWSA-N -2 3 321.366 0.619 20 0 DCADHL CC[C@H](C)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000820437666 597411408 /nfs/dbraw/zinc/41/14/08/597411408.db2.gz IYUBAFGSTVVSSG-ZANVPECISA-N -2 3 308.334 0.738 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000737296560 598452452 /nfs/dbraw/zinc/45/24/52/598452452.db2.gz KWBXQPBDJCVQGM-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCSCC(=O)[O-])c1 ZINC000736164823 599903134 /nfs/dbraw/zinc/90/31/34/599903134.db2.gz FNNGNOPFECZCNE-UHFFFAOYSA-N -2 3 312.347 0.898 20 0 DCADHL C[C@](NC(=O)c1nnc2ccccc2c1[O-])(C(=O)[O-])C1CC1 ZINC000237462132 600200430 /nfs/dbraw/zinc/20/04/30/600200430.db2.gz SDNWHMSAJAZPDZ-OAHLLOKOSA-N -2 3 301.302 0.906 20 0 DCADHL C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736697750 600371042 /nfs/dbraw/zinc/37/10/42/600371042.db2.gz RXMUOUZLMVZGMB-SECBINFHSA-N -2 3 322.317 0.656 20 0 DCADHL NC(=O)C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000739154298 600639404 /nfs/dbraw/zinc/63/94/04/600639404.db2.gz QMDBKWKGAWSSNH-UHFFFAOYSA-N -2 3 316.335 0.302 20 0 DCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)CC1CCCCC1 ZINC000737577147 600647058 /nfs/dbraw/zinc/64/70/58/600647058.db2.gz VCWRCJYLVSMRBX-SNVBAGLBSA-N -2 3 307.368 0.502 20 0 DCADHL CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000037225476 600990658 /nfs/dbraw/zinc/99/06/58/600990658.db2.gz RBNGEXKXLWCRKF-UHFFFAOYSA-N -2 3 322.289 0.030 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C)Cn2cncn2)cc1C(=O)[O-] ZINC000833028394 601220840 /nfs/dbraw/zinc/22/08/40/601220840.db2.gz NGMJCYGICRNPKC-SSDOTTSWSA-N -2 3 314.323 0.245 20 0 DCADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000833085892 601394107 /nfs/dbraw/zinc/39/41/07/601394107.db2.gz YAKOSXGRHVKZEY-UHFFFAOYSA-N -2 3 314.275 0.148 20 0 DCADHL CC(C)C[C@H](NC(=O)Cn1cc(Cl)c(=O)[n-]c1=O)C(=O)[O-] ZINC000826792610 601577160 /nfs/dbraw/zinc/57/71/60/601577160.db2.gz CHQWYMRHUKJIQH-QMMMGPOBSA-N -2 3 317.729 0.218 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(=O)[n-]1 ZINC000832994611 601716365 /nfs/dbraw/zinc/71/63/65/601716365.db2.gz NPJGEWPYXALAOE-AWEZNQCLSA-N -2 3 311.313 0.757 20 0 DCADHL C[C@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)C[C@H]1C(=O)[O-] ZINC000828340188 601763334 /nfs/dbraw/zinc/76/33/34/601763334.db2.gz FKLUDBHDHSNHQM-JOYOIKCWSA-N -2 3 306.318 0.301 20 0 DCADHL COC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000381230035 601803614 /nfs/dbraw/zinc/80/36/14/601803614.db2.gz PNMRHOJSTOZOQY-LLVKDONJSA-N -2 3 309.290 0.733 20 0 DCADHL CCC[C@@](C)([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000829202717 602205376 /nfs/dbraw/zinc/20/53/76/602205376.db2.gz QQZDBNLVTXJJGR-SNVBAGLBSA-N -2 3 309.775 0.995 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCC[C@@H]2CNC(=O)[O-])c(=O)[n-]1 ZINC000830716327 603135091 /nfs/dbraw/zinc/13/50/91/603135091.db2.gz RLTFSNGIYGADOQ-SNVBAGLBSA-N -2 3 308.338 0.600 20 0 DCADHL CC(C)(CNC(=O)[O-])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000823991805 603643347 /nfs/dbraw/zinc/64/33/47/603643347.db2.gz RAAHCQPVKUVYLJ-UHFFFAOYSA-N -2 3 320.305 0.738 20 0 DCADHL CN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827938511 603710453 /nfs/dbraw/zinc/71/04/53/603710453.db2.gz MOJHQLNIBLYERV-VIFPVBQESA-N -2 3 317.301 0.395 20 0 DCADHL C[C@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)CCN1C(=O)[O-] ZINC000826034109 603875958 /nfs/dbraw/zinc/87/59/58/603875958.db2.gz FLHKMUYIYDXEON-QMMMGPOBSA-N -2 3 308.290 0.945 20 0 DCADHL O=C([O-])N1CC(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000831768371 604421663 /nfs/dbraw/zinc/42/16/63/604421663.db2.gz NVROCFHXCNKHMP-UHFFFAOYSA-N -2 3 304.262 0.054 20 0 DCADHL Cc1ccc(-c2nc(NC(=O)COCCNC(=O)[O-])n[n-]2)o1 ZINC000830159693 604585583 /nfs/dbraw/zinc/58/55/83/604585583.db2.gz HNMWFSDGORZOLE-UHFFFAOYSA-N -2 3 309.282 0.596 20 0 DCADHL CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829786274 604810689 /nfs/dbraw/zinc/81/06/89/604810689.db2.gz KKXSXGCFCXYPNH-UHFFFAOYSA-N -2 3 318.351 0.418 20 0 DCADHL CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833433942 605203982 /nfs/dbraw/zinc/20/39/82/605203982.db2.gz FUKDYNPLYRADFQ-UHFFFAOYSA-N -2 3 305.308 0.598 20 0 DCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CN1C1CC1 ZINC000833597031 605210023 /nfs/dbraw/zinc/21/00/23/605210023.db2.gz IWFMXIWFWBELBZ-PSASIEDQSA-N -2 3 314.363 0.881 20 0 DCADHL CNC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000833699697 605211632 /nfs/dbraw/zinc/21/16/32/605211632.db2.gz VXLMATDBGUZCNA-SECBINFHSA-N -2 3 304.324 0.027 20 0 DCADHL O=C([O-])NCC(=O)NCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000834197754 605393506 /nfs/dbraw/zinc/39/35/06/605393506.db2.gz AQYNGUYNSJZQRU-UHFFFAOYSA-N -2 3 301.686 0.368 20 0 DCADHL O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000834169171 605833945 /nfs/dbraw/zinc/83/39/45/605833945.db2.gz SDJMHWPGNZYOSP-VHSXEESVSA-N -2 3 320.349 0.893 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819867991 606394322 /nfs/dbraw/zinc/39/43/22/606394322.db2.gz WTEDBOTVEADQOR-QMMMGPOBSA-N -2 3 321.362 0.718 20 0 DCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819867991 606394323 /nfs/dbraw/zinc/39/43/23/606394323.db2.gz WTEDBOTVEADQOR-QMMMGPOBSA-N -2 3 321.362 0.718 20 0 DCADHL COc1ccc(CNC(=O)CCC(=O)[O-])cc1-c1nnn[n-]1 ZINC000826197033 607833455 /nfs/dbraw/zinc/83/34/55/607833455.db2.gz XAPGKBDLEOORSI-UHFFFAOYSA-N -2 3 305.294 0.356 20 0 DCADHL COc1ccc(CNC(=O)CCC(=O)[O-])cc1-c1nn[n-]n1 ZINC000826197033 607833456 /nfs/dbraw/zinc/83/34/56/607833456.db2.gz XAPGKBDLEOORSI-UHFFFAOYSA-N -2 3 305.294 0.356 20 0 DCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc(Cl)cc1[O-] ZINC000826425546 607836090 /nfs/dbraw/zinc/83/60/90/607836090.db2.gz IZRBIPXSDVPONJ-UHFFFAOYSA-N -2 3 320.700 0.456 20 0 DCADHL Cc1ccnc(NCCCc2n[nH]c(=O)[n-]2)c1-c1nnn[n-]1 ZINC000826313898 609567501 /nfs/dbraw/zinc/56/75/01/609567501.db2.gz XRKBGMKOTOMKRY-UHFFFAOYSA-N -2 3 301.314 0.439 20 0 DCADHL Cc1ccnc(NCCCc2n[nH]c(=O)[n-]2)c1-c1nn[n-]n1 ZINC000826313898 609567503 /nfs/dbraw/zinc/56/75/03/609567503.db2.gz XRKBGMKOTOMKRY-UHFFFAOYSA-N -2 3 301.314 0.439 20 0 DCADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000037396140 658394983 /nfs/dbraw/zinc/39/49/83/658394983.db2.gz WSZGXEICCKASLT-LURJTMIESA-N -3 3 322.726 0.331 20 0 DCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000921687597 665698099 /nfs/dbraw/zinc/69/80/99/665698099.db2.gz HYAATIUVAJYQCW-UHFFFAOYSA-N -2 3 313.257 0.056 20 0 DCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000921687824 665711330 /nfs/dbraw/zinc/71/13/30/665711330.db2.gz LXRFPEXPLZPSCI-UHFFFAOYSA-N -2 3 313.257 0.056 20 0 DCADHL CSc1ccc([O-])c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000902771644 663432909 /nfs/dbraw/zinc/43/29/09/663432909.db2.gz JQUOTTYJWQLZDQ-UHFFFAOYSA-N -2 3 324.358 0.483 20 0 DCADHL C[C@@H]1C(=O)N([N-]C(=O)c2c(Cl)[n-]nc2C2CC2)C(=O)N1C ZINC000912816739 664234215 /nfs/dbraw/zinc/23/42/15/664234215.db2.gz GAGDGAQAQQNDES-RXMQYKEDSA-N -2 3 311.729 0.868 20 0 DCADHL O=C(NC1CCN(Cc2n[nH]c(=O)[n-]2)CC1)c1ccccc1[O-] ZINC001002363496 666161921 /nfs/dbraw/zinc/16/19/21/666161921.db2.gz DYUKRCDAMHSHEF-UHFFFAOYSA-N -2 3 317.349 0.610 20 0 DCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)CC(C)C)c(=O)[n-]1 ZINC000749070030 667945813 /nfs/dbraw/zinc/94/58/13/667945813.db2.gz GIFPBJMHIHWQRP-UHFFFAOYSA-N -2 3 301.368 0.444 20 0 DCADHL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000882710815 669571726 /nfs/dbraw/zinc/57/17/26/669571726.db2.gz SHZUKSLHYKWCNX-GOSISDBHSA-N -2 3 311.360 0.762 20 0 DCADHL CS(C)(=O)=NS(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000821178592 671260077 /nfs/dbraw/zinc/26/00/77/671260077.db2.gz SRWPDXIVAKAQJE-UHFFFAOYSA-N -2 3 306.365 0.698 20 0 DCADHL O=C([O-])C[C@@]1(NC(=O)c2nnc3ccccc3c2[O-])CCOC1 ZINC000823341721 671388168 /nfs/dbraw/zinc/38/81/68/671388168.db2.gz WNXGMXNKQAZWFA-HNNXBMFYSA-N -2 3 317.301 0.699 20 0 DCADHL C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824738240 671439228 /nfs/dbraw/zinc/43/92/28/671439228.db2.gz NMZLNAOCPVJVNI-SFYZADRCSA-N -2 3 305.294 0.223 20 0 DCADHL Cn1nccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826367030 671486390 /nfs/dbraw/zinc/48/63/90/671486390.db2.gz IYUPQMLRCFBFPO-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c(F)c1 ZINC000837296306 671855984 /nfs/dbraw/zinc/85/59/84/671855984.db2.gz LKGBBEXHONGKCM-SECBINFHSA-N -2 3 322.289 0.485 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c(C)o1 ZINC000837295947 671856027 /nfs/dbraw/zinc/85/60/27/671856027.db2.gz FZUSPCIHWRILRV-ZCFIWIBFSA-N -2 3 309.271 0.076 20 0 DCADHL O=C(NCCc1n[n-]c(=S)o1)c1cc2c(cc1[O-])OCO2 ZINC000841426890 671931120 /nfs/dbraw/zinc/93/11/20/671931120.db2.gz OYYOYFXKOYXAGO-UHFFFAOYSA-N -2 3 309.303 0.765 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCOCC2)o1 ZINC000844787115 672202903 /nfs/dbraw/zinc/20/29/03/672202903.db2.gz SHWXXFXHTQHEEZ-LLVKDONJSA-N -2 3 303.336 0.746 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000739199973 685327367 /nfs/dbraw/zinc/32/73/67/685327367.db2.gz BGORKGDYYQTUPY-YFKPBYRVSA-N -2 3 324.318 0.477 20 0 DCADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]O[C@@H](CO)C(C)C ZINC001628298568 1157996225 /nfs/dbraw/zinc/99/62/25/1157996225.db2.gz ZDWDHXOPZDDPRQ-QMMMGPOBSA-N -2 3 301.368 0.891 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001573448122 1163437922 /nfs/dbraw/zinc/43/79/22/1163437922.db2.gz BJKKDDMODGVYCP-AWEZNQCLSA-N -2 3 308.290 0.012 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC001574201381 1163661683 /nfs/dbraw/zinc/66/16/83/1163661683.db2.gz ZPYOBKAGAXMIKS-JGVFFNPUSA-N -2 3 312.351 0.425 20 0 DCADHL Cc1oc([N-]C(=O)c2ccc(S(C)(=O)=O)o2)nc1C(=O)[O-] ZINC001574206002 1163663346 /nfs/dbraw/zinc/66/33/46/1163663346.db2.gz NJUXZBIJRBPVKO-UHFFFAOYSA-N -2 3 314.275 0.930 20 0 DCADHL O=C([O-])N1CSC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001574341759 1163699091 /nfs/dbraw/zinc/69/90/91/1163699091.db2.gz MZVBHHVBNDCYLY-VIFPVBQESA-N -2 3 320.334 0.858 20 0 DCADHL O=C([O-])N1CSC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001574341759 1163699098 /nfs/dbraw/zinc/69/90/98/1163699098.db2.gz MZVBHHVBNDCYLY-VIFPVBQESA-N -2 3 320.334 0.858 20 0 DCADHL O=C([O-])[C@@H]1CN(C(=O)c2c[n-]ncc2=O)C[C@H]1C(F)(F)F ZINC001574392938 1163711712 /nfs/dbraw/zinc/71/17/12/1163711712.db2.gz JVWDSFDWTXQFHH-RNFRBKRXSA-N -2 3 305.212 0.517 20 0 DCADHL C[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1nn(C)cc1[O-] ZINC001575320010 1163972859 /nfs/dbraw/zinc/97/28/59/1163972859.db2.gz PWAHARKTXHGGCH-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1nn(C)cc1[O-] ZINC001575320010 1163972863 /nfs/dbraw/zinc/97/28/63/1163972863.db2.gz PWAHARKTXHGGCH-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nn(C)cc1[O-] ZINC001575331160 1163976971 /nfs/dbraw/zinc/97/69/71/1163976971.db2.gz OURQLMHCZHEQFN-LURJTMIESA-N -2 3 303.282 0.390 20 0 DCADHL C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nn(C)cc1[O-] ZINC001575331160 1163976975 /nfs/dbraw/zinc/97/69/75/1163976975.db2.gz OURQLMHCZHEQFN-LURJTMIESA-N -2 3 303.282 0.390 20 0 DCADHL C[C@]1(C(=O)[O-])CCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC001590071515 1166764194 /nfs/dbraw/zinc/76/41/94/1166764194.db2.gz PDNOZNSNCGQMPV-AWEZNQCLSA-N -2 3 313.321 0.815 20 0 DCADHL C[C@]1(C(=O)[O-])CCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC001590071515 1166764201 /nfs/dbraw/zinc/76/42/01/1166764201.db2.gz PDNOZNSNCGQMPV-AWEZNQCLSA-N -2 3 313.321 0.815 20 0 DCADHL CCN(C(=O)c1ccc(-c2nnn[n-]2)c(C)n1)[C@H](C)C(=O)[O-] ZINC001590674728 1166965316 /nfs/dbraw/zinc/96/53/16/1166965316.db2.gz URRNFWDOKMQDRC-MRVPVSSYSA-N -2 3 304.310 0.505 20 0 DCADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c(C)n1)[C@H](C)C(=O)[O-] ZINC001590674728 1166965318 /nfs/dbraw/zinc/96/53/18/1166965318.db2.gz URRNFWDOKMQDRC-MRVPVSSYSA-N -2 3 304.310 0.505 20 0 DCADHL CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)C1(C(=O)[O-])CC1 ZINC001591119343 1167108851 /nfs/dbraw/zinc/10/88/51/1167108851.db2.gz MQLKCLIZAFLXDV-UHFFFAOYSA-N -2 3 315.333 0.732 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001591387092 1167257859 /nfs/dbraw/zinc/25/78/59/1167257859.db2.gz OGAPGYJLEMFPOB-CQSZACIVSA-N -2 3 318.337 0.579 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001591387092 1167257867 /nfs/dbraw/zinc/25/78/67/1167257867.db2.gz OGAPGYJLEMFPOB-CQSZACIVSA-N -2 3 318.337 0.579 20 0 DCADHL Cc1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592025872 1167438451 /nfs/dbraw/zinc/43/84/51/1167438451.db2.gz RYDXPDGXDRKNIY-CYBMUJFWSA-N -2 3 320.309 0.132 20 0 DCADHL Cc1cc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592025872 1167438453 /nfs/dbraw/zinc/43/84/53/1167438453.db2.gz RYDXPDGXDRKNIY-CYBMUJFWSA-N -2 3 320.309 0.132 20 0 DCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc1-c1nnn[n-]1 ZINC001592128372 1167461112 /nfs/dbraw/zinc/46/11/12/1167461112.db2.gz QJHUKXSFXAFRCI-UHFFFAOYSA-N -2 3 317.277 0.457 20 0 DCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc1-c1nn[n-]n1 ZINC001592128372 1167461115 /nfs/dbraw/zinc/46/11/15/1167461115.db2.gz QJHUKXSFXAFRCI-UHFFFAOYSA-N -2 3 317.277 0.457 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)o1 ZINC001592195878 1167475997 /nfs/dbraw/zinc/47/59/97/1167475997.db2.gz SFNTUNKGWJCSAR-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)o1 ZINC001592195878 1167476001 /nfs/dbraw/zinc/47/60/01/1167476001.db2.gz SFNTUNKGWJCSAR-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cnc(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)c([O-])c1 ZINC001592290378 1167484550 /nfs/dbraw/zinc/48/45/50/1167484550.db2.gz PCEYONOAGVQNEO-UHFFFAOYSA-N -2 3 311.305 0.601 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592813589 1167645355 /nfs/dbraw/zinc/64/53/55/1167645355.db2.gz LJYGDXZJKDPGLD-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592813589 1167645357 /nfs/dbraw/zinc/64/53/57/1167645357.db2.gz LJYGDXZJKDPGLD-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001592910988 1167661752 /nfs/dbraw/zinc/66/17/52/1167661752.db2.gz GNMUBSWTBLCXJH-PHIMTYICSA-N -2 3 301.306 0.389 20 0 DCADHL O=C(NOCc1cccnc1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593170669 1167730453 /nfs/dbraw/zinc/73/04/53/1167730453.db2.gz KATBQFVPQOYFTG-UHFFFAOYSA-N -2 3 312.289 0.829 20 0 DCADHL O=C([O-])[C@H](CC1CCOCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001593274934 1167751664 /nfs/dbraw/zinc/75/16/64/1167751664.db2.gz BTYRVFBITLHVFC-LBPRGKRZSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@H](CC1CCOCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001593274934 1167751671 /nfs/dbraw/zinc/75/16/71/1167751671.db2.gz BTYRVFBITLHVFC-LBPRGKRZSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001593275273 1167752258 /nfs/dbraw/zinc/75/22/58/1167752258.db2.gz CVTQVFGZBJXASN-JOYOIKCWSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001593275273 1167752266 /nfs/dbraw/zinc/75/22/66/1167752266.db2.gz CVTQVFGZBJXASN-JOYOIKCWSA-N -2 3 318.337 0.944 20 0 DCADHL O=c1cc(C2CCOCC2)[n-]n1-c1ccc(-c2nnn[n-]2)cn1 ZINC001593382652 1167794238 /nfs/dbraw/zinc/79/42/38/1167794238.db2.gz FFVSPXJWLFLGHM-UHFFFAOYSA-N -2 3 313.321 0.781 20 0 DCADHL O=c1cc(C2CCOCC2)[n-]n1-c1ccc(-c2nn[n-]n2)cn1 ZINC001593382652 1167794245 /nfs/dbraw/zinc/79/42/45/1167794245.db2.gz FFVSPXJWLFLGHM-UHFFFAOYSA-N -2 3 313.321 0.781 20 0 DCADHL O=c1cc(Cn2ccc(-c3nnn[n-]3)cc2=O)nc(C2CC2)[n-]1 ZINC001593494402 1167877286 /nfs/dbraw/zinc/87/72/86/1167877286.db2.gz SKRJECKOMPVRNN-UHFFFAOYSA-N -2 3 311.305 0.450 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)oc1C(=O)[O-] ZINC001600296546 1168157756 /nfs/dbraw/zinc/15/77/56/1168157756.db2.gz ASYFEBKNDYBUCE-ZCFIWIBFSA-N -2 3 313.278 0.581 20 0 DCADHL Cc1csc(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1 ZINC001600660869 1168234280 /nfs/dbraw/zinc/23/42/80/1168234280.db2.gz PGYWNHHCYGGBFE-UHFFFAOYSA-N -2 3 316.364 0.660 20 0 DCADHL Cc1nc(C)c(CC(=O)N(CC(=O)[O-])C2CCOCC2)c(=O)[n-]1 ZINC001600691421 1168253456 /nfs/dbraw/zinc/25/34/56/1168253456.db2.gz WUWYDKHMVSVOHE-UHFFFAOYSA-N -2 3 323.349 0.434 20 0 DCADHL Cc1nc(CS(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)no1 ZINC001600704642 1168257949 /nfs/dbraw/zinc/25/79/49/1168257949.db2.gz SOENLZQJGFAEAK-UHFFFAOYSA-N -2 3 301.280 0.289 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001600733689 1168266687 /nfs/dbraw/zinc/26/66/87/1168266687.db2.gz WGKLUUJKTLJYEQ-PWSUYJOCSA-N -2 3 323.349 0.277 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCNC(=O)C(C)C)cc1C(=O)[O-] ZINC001600856884 1168487690 /nfs/dbraw/zinc/48/76/90/1168487690.db2.gz AYWHOYYMJRRNEV-UHFFFAOYSA-N -2 3 318.351 0.337 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCc2ccn(C)n2)cc1C(=O)[O-] ZINC001600858005 1168488699 /nfs/dbraw/zinc/48/86/99/1168488699.db2.gz QHZIIQXWOXEARN-UHFFFAOYSA-N -2 3 313.335 0.541 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001601206977 1168660259 /nfs/dbraw/zinc/66/02/59/1168660259.db2.gz LXKKAVPLWYIJRB-NXSYQRQQSA-N -2 3 322.321 0.187 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC(=O)OCC1CC1 ZINC001601327708 1168711194 /nfs/dbraw/zinc/71/11/94/1168711194.db2.gz TVXOGSOEZPLXPQ-UHFFFAOYSA-N -2 3 320.348 0.073 20 0 DCADHL O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cc2c(cc1[O-])OCO2 ZINC001601524919 1168774762 /nfs/dbraw/zinc/77/47/62/1168774762.db2.gz NOLOSQZHAHGJPP-JMCQJSRRSA-N -2 3 309.274 0.340 20 0 DCADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cscn1 ZINC001601642858 1168799060 /nfs/dbraw/zinc/79/90/60/1168799060.db2.gz RHPIIAHVRFLYBQ-IUCAKERBSA-N -2 3 320.392 0.691 20 0 DCADHL O=C([O-])CCCO[N-]C(=O)CCc1nc(-c2ncccn2)no1 ZINC001601994451 1168954293 /nfs/dbraw/zinc/95/42/93/1168954293.db2.gz BKGABZIXGJBZLW-UHFFFAOYSA-N -2 3 321.293 0.372 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1cccnc1F ZINC001602588744 1169127052 /nfs/dbraw/zinc/12/70/52/1169127052.db2.gz KECCKBGWXNHBTJ-UHFFFAOYSA-N -2 3 317.323 0.854 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1 ZINC001602588840 1169127741 /nfs/dbraw/zinc/12/77/41/1169127741.db2.gz OFRGQIUPMZAMBB-HTQZYQBOSA-N -2 3 320.392 0.671 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)c(F)c1 ZINC001602633665 1169137120 /nfs/dbraw/zinc/13/71/20/1169137120.db2.gz LQLYRCRIVAVOEC-UHFFFAOYSA-N -2 3 307.281 0.910 20 0 DCADHL C[C@H](C(=O)[O-])N(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001603033415 1169235913 /nfs/dbraw/zinc/23/59/13/1169235913.db2.gz YCCGQIWBQUEXEB-MRVPVSSYSA-N -2 3 316.321 0.268 20 0 DCADHL C[C@H](C(=O)[O-])C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001603033135 1169236825 /nfs/dbraw/zinc/23/68/25/1169236825.db2.gz WBZZIJDWPDGPRR-QMMMGPOBSA-N -2 3 303.322 0.939 20 0 DCADHL C[C@H](C(=O)[O-])C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001603033135 1169236828 /nfs/dbraw/zinc/23/68/28/1169236828.db2.gz WBZZIJDWPDGPRR-QMMMGPOBSA-N -2 3 303.322 0.939 20 0 DCADHL C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](C(=O)[O-])C1 ZINC001603166812 1169264122 /nfs/dbraw/zinc/26/41/22/1169264122.db2.gz OHFWBVVSVBQFRC-GWCFXTLKSA-N -2 3 320.345 0.796 20 0 DCADHL CCOCCO[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001604433956 1169592230 /nfs/dbraw/zinc/59/22/30/1169592230.db2.gz HNNURKBHNQDEEE-UHFFFAOYSA-N -2 3 307.310 0.330 20 0 DCADHL CCC(C)(C)CCS(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC ZINC001604895729 1169734721 /nfs/dbraw/zinc/73/47/21/1169734721.db2.gz AJGZXDASSZHFIR-SECBINFHSA-N -2 3 309.384 0.748 20 0 DCADHL CCC(CC)([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC ZINC001605010547 1169779056 /nfs/dbraw/zinc/77/90/56/1169779056.db2.gz MYBUJAYHTAVLFR-UHFFFAOYSA-N -2 3 309.384 0.748 20 0 DCADHL CC[C@@]1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOC1 ZINC001605146689 1169847584 /nfs/dbraw/zinc/84/75/84/1169847584.db2.gz GMDMUSKMEXHPJE-LLVKDONJSA-N -2 3 303.340 0.264 20 0 DCADHL Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc(-c2nnn[n-]2)c1 ZINC001605713202 1169989334 /nfs/dbraw/zinc/98/93/34/1169989334.db2.gz KVDJYHRRVXKJTD-UHFFFAOYSA-N -2 3 315.297 0.321 20 0 DCADHL Cc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc(-c2nn[n-]n2)c1 ZINC001605713202 1169989337 /nfs/dbraw/zinc/98/93/37/1169989337.db2.gz KVDJYHRRVXKJTD-UHFFFAOYSA-N -2 3 315.297 0.321 20 0 DCADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)CN ZINC001605886872 1170023445 /nfs/dbraw/zinc/02/34/45/1170023445.db2.gz RPLMLGHJXPTYGL-UHFFFAOYSA-N -2 3 312.294 0.413 20 0 DCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001606325727 1170159885 /nfs/dbraw/zinc/15/98/85/1170159885.db2.gz OONMGSYOZFEUKU-SECBINFHSA-N -2 3 323.273 0.259 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)/C=C\C(=O)[O-] ZINC001606637173 1170251043 /nfs/dbraw/zinc/25/10/43/1170251043.db2.gz YAWOKPYGOMHXHP-KGJQDRRLSA-N -2 3 320.348 0.237 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001606680483 1170259888 /nfs/dbraw/zinc/25/98/88/1170259888.db2.gz SCQPQBKSQZPRDR-SSDOTTSWSA-N -2 3 319.301 0.738 20 0 DCADHL COC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)OC ZINC001606800960 1170294821 /nfs/dbraw/zinc/29/48/21/1170294821.db2.gz ZXCZEFXXTOFUDD-MRVPVSSYSA-N -2 3 307.324 0.226 20 0 DCADHL O=C([O-])[C@]1(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC001606932404 1170332420 /nfs/dbraw/zinc/33/24/20/1170332420.db2.gz GVVKSFGNWILQTF-ZDUSSCGKSA-N -2 3 318.293 0.232 20 0 DCADHL O=C([O-])[C@]1(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC001606932404 1170332425 /nfs/dbraw/zinc/33/24/25/1170332425.db2.gz GVVKSFGNWILQTF-ZDUSSCGKSA-N -2 3 318.293 0.232 20 0 DCADHL O=C([O-])CN1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC001606957406 1170338450 /nfs/dbraw/zinc/33/84/50/1170338450.db2.gz DFHWSHKAXVJPGZ-SNVBAGLBSA-N -2 3 321.268 0.070 20 0 DCADHL O=C([O-])CN1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC001606957406 1170338457 /nfs/dbraw/zinc/33/84/57/1170338457.db2.gz DFHWSHKAXVJPGZ-SNVBAGLBSA-N -2 3 321.268 0.070 20 0 DCADHL CO[C@@]12CCC[C@]1([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])CCO2 ZINC001607003133 1170351945 /nfs/dbraw/zinc/35/19/45/1170351945.db2.gz XEFYFXKFHNXARD-ZMLRMANQSA-N -2 3 307.368 0.312 20 0 DCADHL O=c1cc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc2nc[n-]n21 ZINC001607091465 1170389889 /nfs/dbraw/zinc/38/98/89/1170389889.db2.gz OCXJVGORRMRAJE-HNQUOIGGSA-N -2 3 324.279 0.907 20 0 DCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)n1 ZINC001607560592 1170476643 /nfs/dbraw/zinc/47/66/43/1170476643.db2.gz LTZLLUXIQUVFCC-BCMRRPTOSA-N -2 3 323.349 0.720 20 0 DCADHL Cc1nc(C)c(CCC(=O)NCc2nc(C(=O)[O-])co2)c(=O)[n-]1 ZINC001607947992 1170531373 /nfs/dbraw/zinc/53/13/73/1170531373.db2.gz SPEKAXBKKRFHBR-UHFFFAOYSA-N -2 3 320.305 0.734 20 0 DCADHL O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc([O-])c2F)C1=O ZINC001608332821 1170653447 /nfs/dbraw/zinc/65/34/47/1170653447.db2.gz MSSKKYRIXFATFT-MRVPVSSYSA-N -2 3 310.281 0.793 20 0 DCADHL O=C([O-])c1csc(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC001608476952 1170687661 /nfs/dbraw/zinc/68/76/61/1170687661.db2.gz GYIWOLFSTMYGLC-UHFFFAOYSA-N -2 3 321.314 0.802 20 0 DCADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC001608621405 1170723600 /nfs/dbraw/zinc/72/36/00/1170723600.db2.gz JZYIRQJUCWMCSV-VHSXEESVSA-N -2 3 305.334 0.958 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)[nH]1 ZINC001608874952 1170768420 /nfs/dbraw/zinc/76/84/20/1170768420.db2.gz ATZJKXJYWRVLAN-UHFFFAOYSA-N -2 3 303.200 0.780 20 0 DCADHL CSCCO[N-]C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001609371231 1170952918 /nfs/dbraw/zinc/95/29/18/1170952918.db2.gz BEKLUOMAFBHJNX-UHFFFAOYSA-N -2 3 309.355 0.084 20 0 DCADHL CSCCO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001609371231 1170952924 /nfs/dbraw/zinc/95/29/24/1170952924.db2.gz BEKLUOMAFBHJNX-UHFFFAOYSA-N -2 3 309.355 0.084 20 0 DCADHL 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ZINC001595791913 982592123 /nfs/dbraw/zinc/59/21/23/982592123.db2.gz KULWXQHWSQTRJH-ZETCQYMHSA-N -3 3 305.308 0.900 20 0 DCADHL CC[C@@](C)(C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])OC ZINC001573666144 983077842 /nfs/dbraw/zinc/07/78/42/983077842.db2.gz ONFZGKFDRMZWNE-NSHDSACASA-N -2 3 305.356 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@]2(C)CCCCO2)c1C(=O)[O-] ZINC001574182906 983185103 /nfs/dbraw/zinc/18/51/03/983185103.db2.gz SZFLTJXWBMGNCP-LBPRGKRZSA-N -2 3 317.367 0.654 20 0 DCADHL CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C(=O)[O-] ZINC001596165619 983530389 /nfs/dbraw/zinc/53/03/89/983530389.db2.gz WQHACAOENZSVRJ-UHFFFAOYSA-N -2 3 304.310 0.587 20 0 DCADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C(=O)[O-] ZINC001596165619 983530392 /nfs/dbraw/zinc/53/03/92/983530392.db2.gz WQHACAOENZSVRJ-UHFFFAOYSA-N -2 3 304.310 0.587 20 0 DCADHL CCN(CC(=O)[O-])C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001596215172 983607889 /nfs/dbraw/zinc/60/78/89/983607889.db2.gz OFCVPUWUBRQYEL-UHFFFAOYSA-N -2 3 308.334 0.754 20 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/nfs/dbraw/zinc/21/18/57/991211857.db2.gz JVTPYBRHXLPEJE-QMMMGPOBSA-N -2 3 303.340 0.840 20 0 DCADHL CS(=O)(=O)[N-]c1cc(C(=O)OC2(C(=O)[O-])CC2)ccc1F ZINC001599759974 992107132 /nfs/dbraw/zinc/10/71/32/992107132.db2.gz OJLZZARXKMRMTH-UHFFFAOYSA-N -2 3 317.294 0.971 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1s[n-]c(=O)c1Cl ZINC001464881361 1015962807 /nfs/dbraw/zinc/96/28/07/1015962807.db2.gz CLORZNIULMOOCR-RXMQYKEDSA-N -2 3 302.743 0.744 20 0 DCADHL COc1ccc(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c([O-])c1 ZINC001599480818 996774615 /nfs/dbraw/zinc/77/46/15/996774615.db2.gz PWRQTDFXPSUHGZ-OAHLLOKOSA-N -2 3 320.301 0.846 20 0 DCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCCO1 ZINC001599178344 996895828 /nfs/dbraw/zinc/89/58/28/996895828.db2.gz XVNJLHNEIYGWQA-ZJUUUORDSA-N -2 3 319.335 0.450 20 0 DCADHL COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C(C)C ZINC001598893496 997036000 /nfs/dbraw/zinc/03/60/00/997036000.db2.gz CEYFALXTUKINPV-AXFHLTTASA-N -2 3 321.395 0.747 20 0 DCADHL COc1cc(OC)cc([C@H](OC(=O)c2cnn[n-]2)C(=O)[O-])c1 ZINC001599451956 998119174 /nfs/dbraw/zinc/11/91/74/998119174.db2.gz CRQHMCMVSGTJLI-NSHDSACASA-N -2 3 307.262 0.805 20 0 DCADHL COc1cc(OC)cc([C@H](OC(=O)c2c[n-]nn2)C(=O)[O-])c1 ZINC001599451956 998119183 /nfs/dbraw/zinc/11/91/83/998119183.db2.gz CRQHMCMVSGTJLI-NSHDSACASA-N -2 3 307.262 0.805 20 0 DCADHL COCCS(=O)(=O)[N-]c1ccc2cnn(CC(=O)[O-])c2c1 ZINC001599262762 998415966 /nfs/dbraw/zinc/41/59/66/998415966.db2.gz NTRRQZNSALODQN-UHFFFAOYSA-N -2 3 313.335 0.509 20 0 DCADHL C[C@H]1CCN(C(=O)CNC(=O)c2ccc([O-])cc2)[C@H](C(=O)[O-])C1 ZINC001594400370 999498523 /nfs/dbraw/zinc/49/85/23/999498523.db2.gz FURFEKSQXFPJBW-GWCFXTLKSA-N -2 3 320.345 0.834 20 0 DCADHL C[S@@](=O)c1cccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001421002358 1003223548 /nfs/dbraw/zinc/22/35/48/1003223548.db2.gz SIKIDBFTTQAQFW-OAQYLSRUSA-N -2 3 307.331 0.555 20 0 DCADHL CN1CCCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001606225387 1170122945 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CC(C)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000032070964 395709121 /nfs/dbraw/zinc/70/91/21/395709121.db2.gz LEWVLFRCPMRQSY-LLVKDONJSA-N -2 3 314.363 0.897 20 0 DCADHL CCN(CCC(=O)[O-])C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000038022812 395730802 /nfs/dbraw/zinc/73/08/02/395730802.db2.gz YRKVCDBIJSTKIY-UHFFFAOYSA-N -2 3 314.363 0.995 20 0 DCADHL CCn1cnnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000226374242 395865813 /nfs/dbraw/zinc/86/58/13/395865813.db2.gz QZWGYRKOWKJIFN-UHFFFAOYSA-N -2 3 316.364 0.536 20 0 DCADHL Cc1nc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)no1 ZINC000231788406 395885300 /nfs/dbraw/zinc/88/53/00/395885300.db2.gz RHUZPYRYSDGWSW-UHFFFAOYSA-N -2 3 311.319 0.863 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])sc1Cl ZINC000231806789 395885638 /nfs/dbraw/zinc/88/56/38/395885638.db2.gz PYLPHEYCYMWLPF-ZCFIWIBFSA-N -2 3 313.784 0.824 20 0 DCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000261855606 396072654 /nfs/dbraw/zinc/07/26/54/396072654.db2.gz 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/nfs/dbraw/zinc/52/91/08/608529108.db2.gz TWQTYTWHLFJKAY-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL C[C@H](NC(=O)N(C)CC(=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824490404 609150088 /nfs/dbraw/zinc/15/00/88/609150088.db2.gz OURXDHBEMOZONX-QMMMGPOBSA-N -2 3 304.310 0.654 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OC1CCC1 ZINC000812791701 658676498 /nfs/dbraw/zinc/67/64/98/658676498.db2.gz UHVNFPHEIQNDMH-UHFFFAOYSA-N -2 3 303.340 0.170 20 0 DCADHL O=C(c1ncccc1[O-])N1CCC(NCc2n[nH]c(=O)[n-]2)CC1 ZINC000991580749 664436651 /nfs/dbraw/zinc/43/66/51/664436651.db2.gz JKTKMYSOLUUVRI-UHFFFAOYSA-N -2 3 318.337 0.005 20 0 DCADHL Cc1cc(=O)[n-]c(CSc2n[n-]c3nc(=O)c(C)nn32)n1 ZINC000754449450 668046253 /nfs/dbraw/zinc/04/62/53/668046253.db2.gz GNDNEZIZJXOTCN-UHFFFAOYSA-N -2 3 305.323 0.217 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)nc1Cl ZINC000794766961 669863405 /nfs/dbraw/zinc/86/34/05/669863405.db2.gz JWWKYSZZCBJLEK-UHFFFAOYSA-N -2 3 307.759 0.607 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])nc1Cl ZINC000794913884 669867524 /nfs/dbraw/zinc/86/75/24/669867524.db2.gz GFDPRXXFPNPGEU-MRVPVSSYSA-N -2 3 321.786 0.995 20 0 DCADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000848680917 670712993 /nfs/dbraw/zinc/71/29/93/670712993.db2.gz PZEVXTDCHXMWEU-SSDOTTSWSA-N -2 3 314.697 0.965 20 0 DCADHL COc1ccc(-c2n[nH]cc2C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc1 ZINC000816731117 670849892 /nfs/dbraw/zinc/84/98/92/670849892.db2.gz BOMZVUKJHXJFSH-UHFFFAOYSA-N -2 3 316.277 0.472 20 0 DCADHL CCOCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852734363 671154324 /nfs/dbraw/zinc/15/43/24/671154324.db2.gz AGJBDZKWWAZJTC-BDAKNGLRSA-N -2 3 312.288 0.619 20 0 DCADHL COc1cccc(S([O-])=CC(=O)OCc2n[nH]c(=O)[n-]2)c1 ZINC000821352727 671273876 /nfs/dbraw/zinc/27/38/76/671273876.db2.gz NCMIPKUUDHRAMT-OAQYLSRUSA-N -2 3 311.319 0.370 20 0 DCADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824249060 671424585 /nfs/dbraw/zinc/42/45/85/671424585.db2.gz HKOGJGBDNUMLMP-UHFFFAOYSA-N -2 3 312.355 0.301 20 0 DCADHL CC(C)CCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824249060 671424588 /nfs/dbraw/zinc/42/45/88/671424588.db2.gz HKOGJGBDNUMLMP-UHFFFAOYSA-N -2 3 312.355 0.301 20 0 DCADHL CO[C@H](CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1ccccc1 ZINC000837294395 671855545 /nfs/dbraw/zinc/85/55/45/671855545.db2.gz KNGVBZOVHXGCSS-GHMZBOCLSA-N -2 3 305.327 0.716 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844790412 672202672 /nfs/dbraw/zinc/20/26/72/672202672.db2.gz XYCRODMUJXSHJH-ZETCQYMHSA-N -2 3 312.706 0.252 20 0 DCADHL COC(=O)/C=C\[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606432656 1159795645 /nfs/dbraw/zinc/79/56/45/1159795645.db2.gz CRGQDHWBWKYPJS-YSCPKTQFSA-N -2 3 303.292 0.374 20 0 DCADHL CO[C@]12CCC[C@@]1([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)CCO2 ZINC001574010080 1163623159 /nfs/dbraw/zinc/62/31/59/1163623159.db2.gz FXZZRJGXDUROBM-OLZOCXBDSA-N -2 3 319.379 0.599 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(=O)[O-])nn1 ZINC001574156491 1163650130 /nfs/dbraw/zinc/65/01/30/1163650130.db2.gz IRCUOAXMFCFUPG-UWVGGRQHSA-N -2 3 315.351 0.086 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]C[C@@]1(C(=O)[O-])CCCOC1 ZINC001574204428 1163661865 /nfs/dbraw/zinc/66/18/65/1163661865.db2.gz AORFEFJJESGWML-NSHDSACASA-N -2 3 304.324 0.143 20 0 DCADHL Cc1c(C(=O)N(C)Cc2n[n-]c(=O)o2)cccc1-c1nn[n-]n1 ZINC001580528727 1165630641 /nfs/dbraw/zinc/63/06/41/1165630641.db2.gz WCLMPTVVRYWJDK-UHFFFAOYSA-N -2 3 315.293 0.536 20 0 DCADHL O=S(=O)(NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ncc[n-]1 ZINC001582796380 1166084049 /nfs/dbraw/zinc/08/40/49/1166084049.db2.gz PFJFMHXIAXAURR-UHFFFAOYSA-N -2 3 323.313 0.207 20 0 DCADHL O=S(=O)(NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ncc[n-]1 ZINC001582796380 1166084053 /nfs/dbraw/zinc/08/40/53/1166084053.db2.gz PFJFMHXIAXAURR-UHFFFAOYSA-N -2 3 323.313 0.207 20 0 DCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589793935 1166688683 /nfs/dbraw/zinc/68/86/83/1166688683.db2.gz FWNFCEOFTGOEJH-SSDOTTSWSA-N -2 3 311.323 0.008 20 0 DCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589793935 1166688686 /nfs/dbraw/zinc/68/86/86/1166688686.db2.gz FWNFCEOFTGOEJH-SSDOTTSWSA-N -2 3 311.323 0.008 20 0 DCADHL C[C@](O)(CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)C(=O)[O-] ZINC001589991479 1166738051 /nfs/dbraw/zinc/73/80/51/1166738051.db2.gz QXXGUQHPNIDUPI-AWEZNQCLSA-N -2 3 318.337 0.388 20 0 DCADHL C[C@](O)(CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)C(=O)[O-] ZINC001589991479 1166738059 /nfs/dbraw/zinc/73/80/59/1166738059.db2.gz QXXGUQHPNIDUPI-AWEZNQCLSA-N -2 3 318.337 0.388 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001590016467 1166753061 /nfs/dbraw/zinc/75/30/61/1166753061.db2.gz VTDLTCABDGUWGM-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001590016467 1166753065 /nfs/dbraw/zinc/75/30/65/1166753065.db2.gz VTDLTCABDGUWGM-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC(=O)[O-] ZINC001590023354 1166755967 /nfs/dbraw/zinc/75/59/67/1166755967.db2.gz VCCMCXNBWPCBJP-SECBINFHSA-N -2 3 319.321 0.615 20 0 DCADHL C[C@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001590069065 1166763717 /nfs/dbraw/zinc/76/37/17/1166763717.db2.gz SLQSVRZJKUAUSN-AWEZNQCLSA-N -2 3 316.321 0.193 20 0 DCADHL C[C@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001590069065 1166763725 /nfs/dbraw/zinc/76/37/25/1166763725.db2.gz SLQSVRZJKUAUSN-AWEZNQCLSA-N -2 3 316.321 0.193 20 0 DCADHL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590214829 1166814781 /nfs/dbraw/zinc/81/47/81/1166814781.db2.gz DPOJAQJINAMMFK-GZMMTYOYSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590214829 1166814786 /nfs/dbraw/zinc/81/47/86/1166814786.db2.gz DPOJAQJINAMMFK-GZMMTYOYSA-N -2 3 321.362 0.469 20 0 DCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590868957 1167041625 /nfs/dbraw/zinc/04/16/25/1167041625.db2.gz LGLDUIZLBJNMDL-PSASIEDQSA-N -2 3 321.362 0.718 20 0 DCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590868957 1167041631 /nfs/dbraw/zinc/04/16/31/1167041631.db2.gz LGLDUIZLBJNMDL-PSASIEDQSA-N -2 3 321.362 0.718 20 0 DCADHL CCc1noc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001590934622 1167057425 /nfs/dbraw/zinc/05/74/25/1167057425.db2.gz FDJXMWMMOWWVOD-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CCc1noc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001590934622 1167057430 /nfs/dbraw/zinc/05/74/30/1167057430.db2.gz FDJXMWMMOWWVOD-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591151840 1167117385 /nfs/dbraw/zinc/11/73/85/1167117385.db2.gz HHQOMSKKAKETFH-UHFFFAOYSA-N -2 3 305.273 0.726 20 0 DCADHL COC[C@](C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001591370556 1167241179 /nfs/dbraw/zinc/24/11/79/1167241179.db2.gz PCYKXIMJOXMMDG-ZDUSSCGKSA-N -2 3 320.309 0.478 20 0 DCADHL C[C@H](NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001591766162 1167368181 /nfs/dbraw/zinc/36/81/81/1167368181.db2.gz LXSHCULJQHEMRV-QMMMGPOBSA-N -2 3 303.322 0.734 20 0 DCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001591759471 1167369287 /nfs/dbraw/zinc/36/92/87/1167369287.db2.gz IFNHMLOMJKWJIT-SSDOTTSWSA-N -2 3 311.323 0.008 20 0 DCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001591759471 1167369290 /nfs/dbraw/zinc/36/92/90/1167369290.db2.gz IFNHMLOMJKWJIT-SSDOTTSWSA-N -2 3 311.323 0.008 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001592104260 1167455795 /nfs/dbraw/zinc/45/57/95/1167455795.db2.gz STGQZCZCRCGTAN-WDEREUQCSA-N -2 3 317.305 0.746 20 0 DCADHL O=C([N-]N1CCCC1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593153714 1167729560 /nfs/dbraw/zinc/72/95/60/1167729560.db2.gz RHDGCMNQPRTSLB-UHFFFAOYSA-N -2 3 308.248 0.412 20 0 DCADHL O=C([O-])CC[C@@H]1CCCN(c2ncncc2-c2nnn[n-]2)C1 ZINC001593278007 1167751514 /nfs/dbraw/zinc/75/15/14/1167751514.db2.gz MQOBTRFNHXVPIM-VIFPVBQESA-N -2 3 303.326 0.738 20 0 DCADHL O=C([N-]n1cnc2ccccc2c1=O)c1ccc(-c2nnn[n-]2)o1 ZINC001593276609 1167751926 /nfs/dbraw/zinc/75/19/26/1167751926.db2.gz PVROTXSTTIDUEE-UHFFFAOYSA-N -2 3 323.272 0.554 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C(=O)NCCF)oc1C(=O)[O-] ZINC001600296874 1168159912 /nfs/dbraw/zinc/15/99/12/1168159912.db2.gz IQCDMPVRBQNSJC-ZETCQYMHSA-N -2 3 322.314 0.039 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCSCC(=O)[O-])oc1C(=O)[O-] ZINC001600299864 1168161275 /nfs/dbraw/zinc/16/12/75/1168161275.db2.gz LQYHAXYXLROJRP-UHFFFAOYSA-N -3 3 323.348 0.382 20 0 DCADHL Cc1cccc(CCC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC001600529722 1168196166 /nfs/dbraw/zinc/19/61/66/1168196166.db2.gz MRZWUDGMEOBVNW-UHFFFAOYSA-N -2 3 324.362 0.722 20 0 DCADHL Cc1n[nH]c(C)c1CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001600668332 1168237281 /nfs/dbraw/zinc/23/72/81/1168237281.db2.gz OJJDTNDDRBFTMB-UHFFFAOYSA-N -2 3 313.335 0.839 20 0 DCADHL Cc1nc(C)c(CC(=O)NCC2(C(=O)[O-])CCOCC2)c(=O)[n-]1 ZINC001600691711 1168252477 /nfs/dbraw/zinc/25/24/77/1168252477.db2.gz MIJBUJUYKLPJTE-UHFFFAOYSA-N -2 3 323.349 0.339 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](C)/C=C/C(=O)[O-] ZINC001600790564 1168296588 /nfs/dbraw/zinc/29/65/88/1168296588.db2.gz LFHCCYDUCHBEFY-WTSVBCDHSA-N -2 3 310.335 0.345 20 0 DCADHL O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC001601757546 1168855977 /nfs/dbraw/zinc/85/59/77/1168855977.db2.gz HEEINDMOEQBJTF-CMPLNLGQSA-N -2 3 317.301 0.386 20 0 DCADHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001601812244 1168902733 /nfs/dbraw/zinc/90/27/33/1168902733.db2.gz ZUWTXOXTSCILBN-NSHDSACASA-N -2 3 316.321 0.731 20 0 DCADHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001601812244 1168902741 /nfs/dbraw/zinc/90/27/41/1168902741.db2.gz ZUWTXOXTSCILBN-NSHDSACASA-N -2 3 316.321 0.731 20 0 DCADHL O=C([O-])CCCO[N-]C(=O)CCCNC(=O)c1cccnc1 ZINC001601995282 1168954687 /nfs/dbraw/zinc/95/46/87/1168954687.db2.gz OAWGXNTWIJJERM-UHFFFAOYSA-N -2 3 309.322 0.504 20 0 DCADHL O=C([O-])c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)on1 ZINC001602247944 1169042120 /nfs/dbraw/zinc/04/21/20/1169042120.db2.gz OYURMWYXGFTLEP-UHFFFAOYSA-N -2 3 300.234 0.805 20 0 DCADHL O=C([O-])c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001602247944 1169042130 /nfs/dbraw/zinc/04/21/30/1169042130.db2.gz OYURMWYXGFTLEP-UHFFFAOYSA-N -2 3 300.234 0.805 20 0 DCADHL O=C([O-])c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)[nH]1 ZINC001602321273 1169059592 /nfs/dbraw/zinc/05/95/92/1169059592.db2.gz HYSQTHCCLQFFNX-QMMMGPOBSA-N -2 3 317.305 0.217 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC2(O)CCC2)o1 ZINC001602397808 1169071573 /nfs/dbraw/zinc/07/15/73/1169071573.db2.gz OBAQDOUXXSWQEZ-UHFFFAOYSA-N -2 3 303.336 0.951 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C[C@@H]2CCCO2)o1 ZINC001602397864 1169071793 /nfs/dbraw/zinc/07/17/93/1169071793.db2.gz LCPLYGQMSDSUNW-IUCAKERBSA-N -2 3 319.335 0.186 20 0 DCADHL O=C([O-])c1ccn(CC(=O)N2CCCc3c(=O)[n-]cnc32)n1 ZINC001602477241 1169085442 /nfs/dbraw/zinc/08/54/42/1169085442.db2.gz JBDZWOOTYZAMQY-UHFFFAOYSA-N -2 3 303.278 0.056 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC001602589122 1169128923 /nfs/dbraw/zinc/12/89/23/1169128923.db2.gz VGTNDQLJARTJDN-BQBZGAKWSA-N -2 3 306.365 0.281 20 0 DCADHL CC(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cc1[O-] ZINC001603108652 1169246945 /nfs/dbraw/zinc/24/69/45/1169246945.db2.gz BBGFIROOVURKBR-UHFFFAOYSA-N -2 3 307.302 0.550 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C(=O)[O-] ZINC001603929677 1169439046 /nfs/dbraw/zinc/43/90/46/1169439046.db2.gz BCYNAYGJHNLJSK-SFYZADRCSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C(=O)[O-] ZINC001603929677 1169439049 /nfs/dbraw/zinc/43/90/49/1169439049.db2.gz BCYNAYGJHNLJSK-SFYZADRCSA-N -2 3 304.310 0.378 20 0 DCADHL CC=C(CC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603961584 1169453982 /nfs/dbraw/zinc/45/39/82/1169453982.db2.gz DBFSIMSXSJMAQN-FPYGCLRLSA-N -2 3 322.350 0.423 20 0 DCADHL CC=C(CC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603961584 1169453986 /nfs/dbraw/zinc/45/39/86/1169453986.db2.gz DBFSIMSXSJMAQN-FPYGCLRLSA-N -2 3 322.350 0.423 20 0 DCADHL C[C@H](C[C@@H](C)Nc1ncc(C(=O)[O-])cn1)NC(=O)c1cn[n-]n1 ZINC001604124721 1169500848 /nfs/dbraw/zinc/50/08/48/1169500848.db2.gz FIXNZEPLIGRHPQ-HTQZYQBOSA-N -2 3 319.325 0.302 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001604616330 1169631393 /nfs/dbraw/zinc/63/13/93/1169631393.db2.gz QLFBFIRQNWAQFS-GFCCVEGCSA-N -2 3 318.333 0.947 20 0 DCADHL CC[C@@](C)([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC001604915554 1169741742 /nfs/dbraw/zinc/74/17/42/1169741742.db2.gz XGZAVADOCWTEKR-SNVBAGLBSA-N -2 3 309.775 0.914 20 0 DCADHL CCC(CC)([N-]S(=O)(=O)c1occc1C(=O)[O-])C(N)=O ZINC001605010408 1169778759 /nfs/dbraw/zinc/77/87/59/1169778759.db2.gz JBVZPYOBZUSYBB-UHFFFAOYSA-N -2 3 304.324 0.300 20 0 DCADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001605022168 1169782924 /nfs/dbraw/zinc/78/29/24/1169782924.db2.gz FOBJFCHRCGBECS-SSDOTTSWSA-N -3 3 305.308 0.757 20 0 DCADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605022625 1169783354 /nfs/dbraw/zinc/78/33/54/1169783354.db2.gz VXBNSHNLXFCTPB-MRVPVSSYSA-N -3 3 305.308 0.900 20 0 DCADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC001605652229 1169981987 /nfs/dbraw/zinc/98/19/87/1169981987.db2.gz NZXYRRTUPOCRIS-OCAPTIKFSA-N -2 3 303.340 0.262 20 0 DCADHL CCOc1ccc(C[C@@H](CNC(=O)c2cn[n-]n2)C(=O)[O-])cc1 ZINC001605686795 1169985315 /nfs/dbraw/zinc/98/53/15/1169985315.db2.gz ZPQSQXJOVWEVDI-NSHDSACASA-N -2 3 318.333 0.877 20 0 DCADHL Cc1[nH]nc(NC(=O)c2ncc(C)cc2[O-])c1-c1nnn[n-]1 ZINC001605978403 1170040044 /nfs/dbraw/zinc/04/00/44/1170040044.db2.gz VTUATESGSRBBAE-UHFFFAOYSA-N -2 3 300.282 0.560 20 0 DCADHL Cc1[nH]nc(NC(=O)c2ncc(C)cc2[O-])c1-c1nn[n-]n1 ZINC001605978403 1170040054 /nfs/dbraw/zinc/04/00/54/1170040054.db2.gz VTUATESGSRBBAE-UHFFFAOYSA-N -2 3 300.282 0.560 20 0 DCADHL COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(O)cc1[O-] ZINC001606371645 1170172893 /nfs/dbraw/zinc/17/28/93/1170172893.db2.gz DXZJRAHSRVKNKZ-GZMMTYOYSA-N -2 3 323.301 0.576 20 0 DCADHL Nc1nc(N2CCC[C@@H](CCC(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001606455842 1170212080 /nfs/dbraw/zinc/21/20/80/1170212080.db2.gz RVOTUDKTKLWOHF-VIFPVBQESA-N -2 3 317.353 0.925 20 0 DCADHL COC(C)(C)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606656598 1170254002 /nfs/dbraw/zinc/25/40/02/1170254002.db2.gz KYQUQNPOPJCAQO-UHFFFAOYSA-N -2 3 308.381 0.935 20 0 DCADHL COC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C1CC1 ZINC001606816081 1170300031 /nfs/dbraw/zinc/30/00/31/1170300031.db2.gz MONRDACWTDSGEP-MRVPVSSYSA-N -2 3 303.340 0.120 20 0 DCADHL O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ncccc1[O-] ZINC001606847003 1170312962 /nfs/dbraw/zinc/31/29/62/1170312962.db2.gz CAUJPOKEHYUYKC-UHFFFAOYSA-N -2 3 303.307 0.354 20 0 DCADHL O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ncccc1[O-] ZINC001606847003 1170312966 /nfs/dbraw/zinc/31/29/66/1170312966.db2.gz CAUJPOKEHYUYKC-UHFFFAOYSA-N -2 3 303.307 0.354 20 0 DCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001606960023 1170339927 /nfs/dbraw/zinc/33/99/27/1170339927.db2.gz OOHUJBVCSCVNPV-PEXQALLHSA-N -2 3 300.322 0.951 20 0 DCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc(-c2nn[n-]n2)nc1 ZINC001606960023 1170339933 /nfs/dbraw/zinc/33/99/33/1170339933.db2.gz OOHUJBVCSCVNPV-PEXQALLHSA-N -2 3 300.322 0.951 20 0 DCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cn2ccc(C(=O)[O-])n2)n1 ZINC001607560940 1170476714 /nfs/dbraw/zinc/47/67/14/1170476714.db2.gz QJEXHEUNXPLAGW-UHFFFAOYSA-N -2 3 319.321 0.437 20 0 DCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(C(=O)[O-])no2)n1 ZINC001607560259 1170476798 /nfs/dbraw/zinc/47/67/98/1170476798.db2.gz JFBNPJPVKJCGBS-UHFFFAOYSA-N -2 3 306.278 0.842 20 0 DCADHL Cc1cc(C(=O)[O-])oc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001607601598 1170483195 /nfs/dbraw/zinc/48/31/95/1170483195.db2.gz DOOUUZHDSROQRU-UHFFFAOYSA-N -2 3 303.274 0.980 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])c(F)cc1F ZINC001607705360 1170498147 /nfs/dbraw/zinc/49/81/47/1170498147.db2.gz KSGLYVMCZMIWII-SNVBAGLBSA-N -2 3 323.317 0.776 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCOCC(F)F)oc1C(=O)[O-] ZINC001607707977 1170499323 /nfs/dbraw/zinc/49/93/23/1170499323.db2.gz YHFLCVOEPHFMEY-UHFFFAOYSA-N -2 3 313.278 0.846 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c1C(=O)[O-] ZINC001607940014 1170529493 /nfs/dbraw/zinc/52/94/93/1170529493.db2.gz JVRSWEZHTLMLJQ-MRVPVSSYSA-N -2 3 303.340 0.264 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001607975564 1170536589 /nfs/dbraw/zinc/53/65/89/1170536589.db2.gz IYSQBUIOZZSPBL-UHFFFAOYSA-N -2 3 316.317 0.833 20 0 DCADHL Cc1nnc([C@@H](C)[N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)o1 ZINC001608014739 1170548294 /nfs/dbraw/zinc/54/82/94/1170548294.db2.gz UJNVSWYDFLEYEY-SSDOTTSWSA-N -2 3 303.340 0.613 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]C[C@H](CO)C(C)C)cc1C(=O)[O-] ZINC001608056442 1170561182 /nfs/dbraw/zinc/56/11/82/1170561182.db2.gz LSEBQYJKGXHOTP-SECBINFHSA-N -2 3 305.352 0.829 20 0 DCADHL O=C([O-])[C@@H](Cc1cncs1)[N-]S(=O)(=O)c1ccco1 ZINC001608544802 1170699099 /nfs/dbraw/zinc/69/90/99/1170699099.db2.gz CTIOOPFZNHTNIN-MRVPVSSYSA-N -2 3 302.333 0.710 20 0 DCADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001608585580 1170708076 /nfs/dbraw/zinc/70/80/76/1170708076.db2.gz BJNZVIDMTDRZCF-ZCFIWIBFSA-N -3 3 318.332 0.293 20 0 DCADHL O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001608598821 1170711993 /nfs/dbraw/zinc/71/19/93/1170711993.db2.gz YNTCJPBHZOSGSN-QPUJVOFHSA-N -2 3 309.274 0.171 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])o1 ZINC001608913045 1170770902 /nfs/dbraw/zinc/77/09/02/1170770902.db2.gz CUIQMCCCXWABBT-ZETCQYMHSA-N -3 3 303.292 0.509 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(CCO)CCOC2)o1 ZINC001608911781 1170770953 /nfs/dbraw/zinc/77/09/53/1170770953.db2.gz AAUOHOGRNBFVTI-LBPRGKRZSA-N -2 3 319.335 0.045 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)o1 ZINC001608911225 1170770962 /nfs/dbraw/zinc/77/09/62/1170770962.db2.gz BYZNRBABENBFRG-IUCAKERBSA-N -2 3 301.320 0.560 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cncs2)o1 ZINC001608912286 1170771120 /nfs/dbraw/zinc/77/11/20/1170771120.db2.gz XLISQJPAIFAKLS-ZCFIWIBFSA-N -2 3 318.332 0.446 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC2(O)CCOCC2)c1 ZINC001608990711 1170781893 /nfs/dbraw/zinc/78/18/93/1170781893.db2.gz LOAGIITUVAOIGT-UHFFFAOYSA-N -2 3 319.335 0.188 20 0 DCADHL CC(C)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001609104055 1170810907 /nfs/dbraw/zinc/81/09/07/1170810907.db2.gz LRFRHMUAKMBHGX-GFCCVEGCSA-N -2 3 319.321 0.471 20 0 DCADHL Cc1cc(-c2nnn[n-]2)cnc1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC001609390237 1170962668 /nfs/dbraw/zinc/96/26/68/1170962668.db2.gz FVOXNVBLUNAGAD-UHFFFAOYSA-N -2 3 322.350 0.040 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cnc1C(=O)[N-]S(=O)(=O)CC1CC1 ZINC001609390237 1170962673 /nfs/dbraw/zinc/96/26/73/1170962673.db2.gz FVOXNVBLUNAGAD-UHFFFAOYSA-N -2 3 322.350 0.040 20 0 DCADHL Cc1csc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c1-c1nnn[n-]1 ZINC001609443834 1170978716 /nfs/dbraw/zinc/97/87/16/1170978716.db2.gz WXLNEVZBZNWERC-RNFRBKRXSA-N -2 3 323.334 0.807 20 0 DCADHL Cc1csc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c1-c1nn[n-]n1 ZINC001609443834 1170978724 /nfs/dbraw/zinc/97/87/24/1170978724.db2.gz WXLNEVZBZNWERC-RNFRBKRXSA-N -2 3 323.334 0.807 20 0 DCADHL C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609878122 1171112986 /nfs/dbraw/zinc/11/29/86/1171112986.db2.gz KQCWACFELVQQMM-NKWVEPMBSA-N -2 3 306.365 0.545 20 0 DCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C1CC1 ZINC001610013945 1171139995 /nfs/dbraw/zinc/13/99/95/1171139995.db2.gz RVKVMEVTTMLIFE-LLVKDONJSA-N -2 3 319.379 0.502 20 0 DCADHL Cc1c(NC(=O)c2cccc3n[n-]nc32)cnn1CC(=O)[O-] ZINC001610424287 1171234460 /nfs/dbraw/zinc/23/44/60/1171234460.db2.gz GDMCNIDJDPAVDC-UHFFFAOYSA-N -2 3 300.278 0.800 20 0 DCADHL O=C([O-])c1cn([C@H]2CCN(C(=O)c3ccccc3[O-])C2)nn1 ZINC001610859897 1171342563 /nfs/dbraw/zinc/34/25/63/1171342563.db2.gz YCVYWHWQHMQWAR-VIFPVBQESA-N -2 3 302.290 0.769 20 0 DCADHL Cc1cnc2c(C(=O)NCc3nc([O-])cc(=O)[n-]3)cnn2c1 ZINC001642459990 1171947144 /nfs/dbraw/zinc/94/71/44/1171947144.db2.gz GNRFASFCVHXMDY-UHFFFAOYSA-N -2 3 300.278 0.169 20 0 DCADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000315972199 1190411862 /nfs/dbraw/zinc/41/18/62/1190411862.db2.gz MXXWKDQFJQNUDC-CQSZACIVSA-N -2 3 301.306 0.946 20 0 DCADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000315972199 1190411865 /nfs/dbraw/zinc/41/18/65/1190411865.db2.gz MXXWKDQFJQNUDC-CQSZACIVSA-N -2 3 301.306 0.946 20 0 DCADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000316776843 1190416835 /nfs/dbraw/zinc/41/68/35/1190416835.db2.gz FSLUAFKQOGTNBS-LLVKDONJSA-N -2 3 301.306 0.804 20 0 DCADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000316776843 1190416838 /nfs/dbraw/zinc/41/68/38/1190416838.db2.gz FSLUAFKQOGTNBS-LLVKDONJSA-N -2 3 301.306 0.804 20 0 DCADHL C[C@H](CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nnn[n-]1 ZINC001771764440 1190493317 /nfs/dbraw/zinc/49/33/17/1190493317.db2.gz JKFZYIVPLPQMQA-SSDOTTSWSA-N -2 3 303.326 0.448 20 0 DCADHL O=P([O-])([O-])c1ccc(NCCN2CCSCC2)cc1 ZINC001167840136 748417303 /nfs/dbraw/zinc/41/73/03/748417303.db2.gz ZQVVUFKUICLNGU-UHFFFAOYSA-N -2 3 302.336 0.950 20 0 DCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)c2nnn[n-]2)n1 ZINC001168359165 749974575 /nfs/dbraw/zinc/97/45/75/749974575.db2.gz OPNTUIHYQYBQLX-UHFFFAOYSA-N -2 3 313.321 0.930 20 0 DCADHL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)c2nn[n-]n2)n1 ZINC001168359165 749974579 /nfs/dbraw/zinc/97/45/79/749974579.db2.gz OPNTUIHYQYBQLX-UHFFFAOYSA-N -2 3 313.321 0.930 20 0 DCADHL CCOC(=O)[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(F)(F)F ZINC001233939654 769502638 /nfs/dbraw/zinc/50/26/38/769502638.db2.gz MKTAHRQKJMKICD-LURJTMIESA-N -2 3 306.200 0.519 20 0 DCADHL O=C(CCNC(=O)c1ccc[nH]1)NCCCCP(=O)([O-])[O-] ZINC001175564623 769927625 /nfs/dbraw/zinc/92/76/25/769927625.db2.gz LMYCZMYRUDYYCE-UHFFFAOYSA-N -2 3 317.282 0.209 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc(Cl)nc1 ZINC001185698665 771944749 /nfs/dbraw/zinc/94/47/49/771944749.db2.gz SPCPKDAWBDSVHE-UHFFFAOYSA-N -2 3 300.660 0.191 20 0 DCADHL Cc1nnc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1 ZINC001186209898 772020985 /nfs/dbraw/zinc/02/09/85/772020985.db2.gz BVDOKYWDMYQVHR-UHFFFAOYSA-N -2 3 315.282 0.694 20 0 DCADHL Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186770421 772088028 /nfs/dbraw/zinc/08/80/28/772088028.db2.gz GQNNFWCUDLVZDH-UHFFFAOYSA-N -2 3 316.195 0.845 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Br)c(=O)[n-]1 ZINC001193161740 773020011 /nfs/dbraw/zinc/02/00/11/773020011.db2.gz DQCGTFKQADNSIW-UHFFFAOYSA-N -2 3 314.099 0.303 20 0 DCADHL CCn1cccc(C(=O)NCCCCP(=O)([O-])[O-])c1=O ZINC001194481284 773195739 /nfs/dbraw/zinc/19/57/39/773195739.db2.gz HQMUEAGOFXNMSR-UHFFFAOYSA-N -2 3 302.267 0.556 20 0 DCADHL O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)S1 ZINC001197613331 773769625 /nfs/dbraw/zinc/76/96/25/773769625.db2.gz PLNZRZDIJYHVKM-VIFPVBQESA-N -2 3 322.314 0.693 20 0 DCADHL COC(=O)C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)C(=O)OC ZINC001226780220 775876044 /nfs/dbraw/zinc/87/60/44/775876044.db2.gz GOSWMPJKDDUUQD-YFKPBYRVSA-N -2 3 312.307 0.125 20 0 DCADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H]2CCOC2)[n-]1 ZINC001227593693 775988196 /nfs/dbraw/zinc/98/81/96/775988196.db2.gz GWROVEFMIICWLJ-SCSAIBSYSA-N -2 3 301.100 0.989 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)C)oc1C(=O)[O-] ZINC001600298252 1168159325 /nfs/dbraw/zinc/15/93/25/1168159325.db2.gz YVWWFJYTWHQUPD-QMMMGPOBSA-N -2 3 318.351 0.478 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])oc1C(=O)[O-] ZINC001600297943 1168159382 /nfs/dbraw/zinc/15/93/82/1168159382.db2.gz UUXFDGRERUCXOX-ZETCQYMHSA-N -3 3 305.308 0.818 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC001602589094 1169128505 /nfs/dbraw/zinc/12/85/05/1169128505.db2.gz UEYITYQOOBIBRY-SSDOTTSWSA-N -2 3 306.365 0.546 20 0 DCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000321414839 970768699 /nfs/dbraw/zinc/76/86/99/970768699.db2.gz NDJPEIAWZVTLKE-CBAPKCEASA-N -2 3 317.301 0.897 20 0 DCADHL C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604165406 1169510602 /nfs/dbraw/zinc/51/06/02/1169510602.db2.gz PVSOZADCYPFDPE-QMMMGPOBSA-N -2 3 316.335 0.267 20 0 DCADHL C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000328133284 971448586 /nfs/dbraw/zinc/44/85/86/971448586.db2.gz XDRXZEMOOYZTPL-UFBFGSQYSA-N -2 3 303.336 0.807 20 0 DCADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573732658 948605677 /nfs/dbraw/zinc/60/56/77/948605677.db2.gz UKCKRLTTWDFVCL-QMMMGPOBSA-N -2 3 300.282 0.129 20 0 DCADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573732658 948605679 /nfs/dbraw/zinc/60/56/79/948605679.db2.gz UKCKRLTTWDFVCL-QMMMGPOBSA-N -2 3 300.282 0.129 20 0 DCADHL CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H](C)C(=O)[O-] ZINC001591279106 951112316 /nfs/dbraw/zinc/11/23/16/951112316.db2.gz BKUYWQAVMHRKLR-JGVFFNPUSA-N -2 3 310.310 0.366 20 0 DCADHL CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H](C)C(=O)[O-] ZINC001591279106 951112308 /nfs/dbraw/zinc/11/23/08/951112308.db2.gz BKUYWQAVMHRKLR-JGVFFNPUSA-N -2 3 310.310 0.366 20 0 DCADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001594568941 955862921 /nfs/dbraw/zinc/86/29/21/955862921.db2.gz HLLZTNVIHMEDJS-UHFFFAOYSA-N -2 3 313.277 0.551 20 0 DCADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001594568941 955862926 /nfs/dbraw/zinc/86/29/26/955862926.db2.gz HLLZTNVIHMEDJS-UHFFFAOYSA-N -2 3 313.277 0.551 20 0 DCADHL CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001573490231 959016979 /nfs/dbraw/zinc/01/69/79/959016979.db2.gz ZSXYJFGNAPETMA-SKDRFNHKSA-N -2 3 308.338 0.234 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000227547465 959954813 /nfs/dbraw/zinc/95/48/13/959954813.db2.gz KYRYAEMGEHCCPF-RNFRBKRXSA-N -2 3 306.365 0.281 20 0 DCADHL CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000231070759 960186580 /nfs/dbraw/zinc/18/65/80/960186580.db2.gz CWACAQAQENPRMA-SSDOTTSWSA-N -2 3 308.381 0.527 20 0 DCADHL CCn1ncc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1C1CC1 ZINC001363038558 960330379 /nfs/dbraw/zinc/33/03/79/960330379.db2.gz OJIABUCKIMEQPB-UHFFFAOYSA-N -2 3 303.322 0.912 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC[C@@H]1C(=O)[O-] ZINC001573749229 960534937 /nfs/dbraw/zinc/53/49/37/960534937.db2.gz PKVKVUICJCYNNP-SCZZXKLOSA-N -2 3 316.321 0.445 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC[C@@H]1C(=O)[O-] ZINC001573749229 960534952 /nfs/dbraw/zinc/53/49/52/960534952.db2.gz PKVKVUICJCYNNP-SCZZXKLOSA-N -2 3 316.321 0.445 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001571079428 960979718 /nfs/dbraw/zinc/97/97/18/960979718.db2.gz DVQCFEYHMFVQNZ-GFCCVEGCSA-N -2 3 303.318 0.556 20 0 DCADHL COc1cccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1OC ZINC001363487972 961258777 /nfs/dbraw/zinc/25/87/77/961258777.db2.gz FXAPAKPAILXAKH-UHFFFAOYSA-N -2 3 305.290 0.835 20 0 DCADHL COc1cnc(C(C)(C)NC(=O)c2ccc([O-])cn2)[n-]c1=O ZINC001363634829 961596612 /nfs/dbraw/zinc/59/66/12/961596612.db2.gz WQPNWGYOPXXUBW-UHFFFAOYSA-N -2 3 304.306 0.957 20 0 DCADHL CO[C@]12CCC[C@@]1([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CCO2 ZINC001571154587 961846754 /nfs/dbraw/zinc/84/67/54/961846754.db2.gz ORSCIIJWOLWGSX-OLZOCXBDSA-N -2 3 321.395 0.702 20 0 DCADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCCc3c(=O)[n-]cnc32)CO1 ZINC001574681084 962585383 /nfs/dbraw/zinc/58/53/83/962585383.db2.gz GSKZMDPLYFJKKD-NXEZZACHSA-N -2 3 321.333 0.731 20 0 DCADHL Cc1c([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cnn1C ZINC000315719674 963928949 /nfs/dbraw/zinc/92/89/49/963928949.db2.gz BBOVGSQPEMESGN-LURJTMIESA-N -2 3 314.323 0.454 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1cnn(C)c1 ZINC000315993630 963962702 /nfs/dbraw/zinc/96/27/02/963962702.db2.gz PYDYRTNUOWGVHV-ZCFIWIBFSA-N -2 3 300.296 0.146 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)(C)O ZINC000394002953 972662306 /nfs/dbraw/zinc/66/23/06/972662306.db2.gz GEJNWFFWARKFRQ-ZCFIWIBFSA-N -2 3 308.381 0.669 20 0 DCADHL C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000398004881 973049244 /nfs/dbraw/zinc/04/92/44/973049244.db2.gz VCISXCHVPOFBIG-PHDIDXHHSA-N -2 3 308.406 0.871 20 0 DCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC001604366066 973064856 /nfs/dbraw/zinc/06/48/56/973064856.db2.gz MAFVNRQQYVFKNE-UHFFFAOYSA-N -2 3 319.339 0.038 20 0 DCADHL O=C([O-])CN(CC1CC1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001606226320 973480512 /nfs/dbraw/zinc/48/05/12/973480512.db2.gz YNOZXXDIWNMQBF-UHFFFAOYSA-N -2 3 302.294 0.199 20 0 DCADHL O=C([O-])CN(CC1CC1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001606226320 973480518 /nfs/dbraw/zinc/48/05/18/973480518.db2.gz YNOZXXDIWNMQBF-UHFFFAOYSA-N -2 3 302.294 0.199 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC[C@H]1CCOC1 ZINC000402013638 973591313 /nfs/dbraw/zinc/59/13/13/973591313.db2.gz STZJYRXEIZKNBV-QMMMGPOBSA-N -2 3 320.392 0.936 20 0 DCADHL O=C([O-])[C@@H](O)CCNC(=O)c1cc([O-])cc(Br)c1 ZINC000700708676 976964452 /nfs/dbraw/zinc/96/44/52/976964452.db2.gz DTVDBYJITOJLHT-VIFPVBQESA-N -2 3 318.123 0.720 20 0 DCADHL C[C@H](CC(=O)[O-])C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC001592361777 977850210 /nfs/dbraw/zinc/85/02/10/977850210.db2.gz BIYNTRSBIXOCQN-SSDOTTSWSA-N -2 3 307.306 0.632 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1(CO)CCC1 ZINC000717688183 977908357 /nfs/dbraw/zinc/90/83/57/977908357.db2.gz JBYUXQKVWJHDKG-UHFFFAOYSA-N -2 3 306.365 0.282 20 0 DCADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1)CC(F)(F)F ZINC001592715868 979214332 /nfs/dbraw/zinc/21/43/32/979214332.db2.gz KCVSUCYTPRSRRW-RXMQYKEDSA-N -2 3 315.273 0.975 20 0 DCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCS1 ZINC001573634945 983071826 /nfs/dbraw/zinc/07/18/26/983071826.db2.gz GWVISHKYNSDNAH-NKWVEPMBSA-N -2 3 305.381 0.670 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCN(c3ccnc(C(=O)[O-])n3)CC2)n1 ZINC001574126889 983174227 /nfs/dbraw/zinc/17/42/27/983174227.db2.gz IZSZAQRAVZLTSJ-UHFFFAOYSA-N -2 3 316.321 0.305 20 0 DCADHL C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001599902779 984870740 /nfs/dbraw/zinc/87/07/40/984870740.db2.gz LKDDZQRDGZDNAT-ASCAZGACSA-N -2 3 312.413 0.724 20 0 DCADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccn2)on1 ZINC001597478783 987965092 /nfs/dbraw/zinc/96/50/92/987965092.db2.gz VGFMEPIQYLWAPZ-UHFFFAOYSA-N -2 3 311.319 0.809 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C(=O)[O-] ZINC001599863063 989201301 /nfs/dbraw/zinc/20/13/01/989201301.db2.gz IIHKNVUKZNTKID-VXNVDRBHSA-N -2 3 302.294 0.054 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C(=O)[O-] ZINC001599863063 989201308 /nfs/dbraw/zinc/20/13/08/989201308.db2.gz IIHKNVUKZNTKID-VXNVDRBHSA-N -2 3 302.294 0.054 20 0 DCADHL CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598655318 994511178 /nfs/dbraw/zinc/51/11/78/994511178.db2.gz CFGWCZGHFGATOP-VIFPVBQESA-N -2 3 318.351 0.417 20 0 DCADHL COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001598699926 995205235 /nfs/dbraw/zinc/20/52/35/995205235.db2.gz YGNIFGQXNZVCKU-VIFPVBQESA-N -2 3 323.411 0.994 20 0 DCADHL COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)CC1CCCCC1 ZINC001598894078 997046640 /nfs/dbraw/zinc/04/66/40/997046640.db2.gz VVBIAHVICQGSEM-LLVKDONJSA-N -2 3 321.395 0.893 20 0 DCADHL CC1(C[N-]S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])OCCCO1 ZINC001594027047 997569166 /nfs/dbraw/zinc/56/91/66/997569166.db2.gz BRHIMLLYSRTEMT-MNOVXSKESA-N -2 3 321.395 0.702 20 0 DCADHL CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599139169 998096676 /nfs/dbraw/zinc/09/66/76/998096676.db2.gz KJSATZWOOZEBLR-PSASIEDQSA-N -2 3 319.335 0.308 20 0 DCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnc(OC)s1 ZINC001599151282 998303495 /nfs/dbraw/zinc/30/34/95/998303495.db2.gz SOPVGTTVMUXAOY-JTQLQIEISA-N -2 3 324.380 0.310 20 0 DCADHL CCOc1nc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n[n-]1 ZINC001471301016 1016549352 /nfs/dbraw/zinc/54/93/52/1016549352.db2.gz VVJJKIPAWCLNOK-UHFFFAOYSA-N -2 3 309.248 0.599 20 0 DCADHL CCOc1n[n-]c(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC001471301016 1016549360 /nfs/dbraw/zinc/54/93/60/1016549360.db2.gz VVJJKIPAWCLNOK-UHFFFAOYSA-N -2 3 309.248 0.599 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)o1 ZINC000085976736 545706418 /nfs/dbraw/zinc/70/64/18/545706418.db2.gz ZRTYLUYRKJLMGE-DTWKUNHWSA-N -2 3 303.336 0.807 20 0 DCADHL COCCC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1 ZINC000566174432 291276839 /nfs/dbraw/zinc/27/68/39/291276839.db2.gz QKZBWUVODRIQNM-UHFFFAOYSA-N -2 3 317.367 0.593 20 0 DCADHL CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000566970796 291331114 /nfs/dbraw/zinc/33/11/14/291331114.db2.gz APLJZPJBMPPOLM-JTQLQIEISA-N -2 3 308.381 0.527 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)cn1C ZINC000275139868 212145320 /nfs/dbraw/zinc/14/53/20/212145320.db2.gz WRMZYOXTWXJDPP-UHFFFAOYSA-N -2 3 323.374 0.948 20 0 DCADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000275097660 212118268 /nfs/dbraw/zinc/11/82/68/212118268.db2.gz QBFBDJXIHCJTFB-VIFPVBQESA-N -2 3 311.718 0.593 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c(C)o1 ZINC000274998156 212064692 /nfs/dbraw/zinc/06/46/92/212064692.db2.gz AGWHGTUSKOXPTH-UHFFFAOYSA-N -2 3 319.335 0.764 20 0 DCADHL CCCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000274125211 211378525 /nfs/dbraw/zinc/37/85/25/211378525.db2.gz ZYIPISWOMVMRFK-SSDOTTSWSA-N -2 3 309.775 0.995 20 0 DCADHL CC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000273809467 211079111 /nfs/dbraw/zinc/07/91/11/211079111.db2.gz YQIYLRFDVIRQPO-UHFFFAOYSA-N -2 3 318.326 0.247 20 0 DCADHL CCOC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000273780701 211052948 /nfs/dbraw/zinc/05/29/48/211052948.db2.gz SMGYNSNIRJIHKA-UHFFFAOYSA-N -2 3 319.310 0.674 20 0 DCADHL CO[C@@H](C)c1nc(=NC(=O)NCc2cnc(C)[n-]c2=O)s[n-]1 ZINC000350655494 254322768 /nfs/dbraw/zinc/32/27/68/254322768.db2.gz XFRREFMZCDOVJC-LURJTMIESA-N -2 3 324.366 0.793 20 0 DCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)C1CC1 ZINC000283958777 131036094 /nfs/dbraw/zinc/03/60/94/131036094.db2.gz RSJOASJAOMXXGB-UHFFFAOYSA-N -2 3 302.308 0.492 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])cn1C ZINC000094703119 395740299 /nfs/dbraw/zinc/74/02/99/395740299.db2.gz KDZKQAUAOCFSCC-JTQLQIEISA-N -2 3 303.384 0.754 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c1 ZINC000092890033 395733676 /nfs/dbraw/zinc/73/36/76/395733676.db2.gz HVSPUMXSLXWHGR-UHFFFAOYSA-N -2 3 301.368 0.969 20 0 DCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000233691285 395887239 /nfs/dbraw/zinc/88/72/39/395887239.db2.gz QQPAXEDRFWNZPE-QMMMGPOBSA-N -2 3 321.376 0.823 20 0 DCADHL COCCOCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000234820902 395891286 /nfs/dbraw/zinc/89/12/86/395891286.db2.gz DSDRBGMKHQKDSR-UHFFFAOYSA-N -2 3 307.324 0.309 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000134691304 395933952 /nfs/dbraw/zinc/93/39/52/395933952.db2.gz MDQBVWBCLDYLLO-ZETCQYMHSA-N -2 3 306.365 0.546 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)cn1C ZINC000136741417 395948763 /nfs/dbraw/zinc/94/87/63/395948763.db2.gz KDCMDKUHJUMORV-VIFPVBQESA-N -2 3 303.384 0.896 20 0 DCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2CC2)c(F)c1 ZINC000067718094 396031920 /nfs/dbraw/zinc/03/19/20/396031920.db2.gz CTZQTOXZZXSZLC-UHFFFAOYSA-N -2 3 322.383 0.886 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)s1 ZINC000261626802 396050135 /nfs/dbraw/zinc/05/01/35/396050135.db2.gz CXPNSYAZXXGFOI-VIFPVBQESA-N -2 3 321.376 0.922 20 0 DCADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277240544 396056956 /nfs/dbraw/zinc/05/69/56/396056956.db2.gz KLYHPVQDCWNBRG-LLVKDONJSA-N -2 3 313.335 0.734 20 0 DCADHL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000263234091 396207867 /nfs/dbraw/zinc/20/78/67/396207867.db2.gz BGNMDDVXKAOVPL-SSDOTTSWSA-N -2 3 318.326 0.742 20 0 DCADHL O=C([O-])CC1(NC(=O)c2ccc3n[n-]nc3c2)CCOCC1 ZINC000262497189 396147587 /nfs/dbraw/zinc/14/75/87/396147587.db2.gz MWFPIOLTERRZQL-UHFFFAOYSA-N -2 3 304.306 0.712 20 0 DCADHL C[C@]1(c2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000262648704 396167672 /nfs/dbraw/zinc/16/76/72/396167672.db2.gz ROFRGZLIVQJHPF-HFBDOXOYSA-N -2 3 317.301 0.400 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000263480763 396218327 /nfs/dbraw/zinc/21/83/27/396218327.db2.gz KUZVWTVKSZOMCN-SSDOTTSWSA-N -2 3 321.380 0.633 20 0 DCADHL COCCCO[N-]C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000287788447 396423619 /nfs/dbraw/zinc/42/36/19/396423619.db2.gz KZWYSWGNVUSTIQ-UHFFFAOYSA-N -2 3 308.338 0.266 20 0 DCADHL CCOC[C@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000290755536 396471592 /nfs/dbraw/zinc/47/15/92/396471592.db2.gz YTRYSLUDEGEFTM-ZETCQYMHSA-N -2 3 309.365 0.525 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCCC(=O)[O-])c(F)c1 ZINC000520652624 396529352 /nfs/dbraw/zinc/52/93/52/396529352.db2.gz KLOUEVOSGMXPDM-UHFFFAOYSA-N -2 3 319.310 0.755 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)cn1C ZINC000315298546 396789853 /nfs/dbraw/zinc/78/98/53/396789853.db2.gz FDJIXQFBMCONII-LBPRGKRZSA-N -2 3 323.374 0.875 20 0 DCADHL C[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1C(=O)[O-] ZINC000564967897 396912810 /nfs/dbraw/zinc/91/28/10/396912810.db2.gz VCGJSPHWYPNIDS-UFBFGSQYSA-N -2 3 316.313 0.896 20 0 DCADHL CO[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)[C@](C)(C(=O)[O-])C1 ZINC000630313747 396982174 /nfs/dbraw/zinc/98/21/74/396982174.db2.gz YJSRXNZNTUHWKT-OTYXRUKQSA-N -2 3 304.306 0.662 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000572102618 397020723 /nfs/dbraw/zinc/02/07/23/397020723.db2.gz MSQSALVMHULUPW-BDAKNGLRSA-N -2 3 317.367 0.158 20 0 DCADHL C[C@]1(c2ccc(NC(=O)CCC(=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000577427728 397330797 /nfs/dbraw/zinc/33/07/97/397330797.db2.gz KBVURENLDXSWCY-CQSZACIVSA-N -2 3 305.290 0.545 20 0 DCADHL CC(C)c1nnc(C[N-]S(=O)(=O)CCCC(=O)[O-])s1 ZINC000578189843 397401090 /nfs/dbraw/zinc/40/10/90/397401090.db2.gz FDVRVWAFIYKNDI-UHFFFAOYSA-N -2 3 307.397 0.946 20 0 DCADHL COC(=O)Cc1n[n-]c([N-]S(=O)(=O)c2cc(C)ccc2C)n1 ZINC000358951568 416296703 /nfs/dbraw/zinc/29/67/03/416296703.db2.gz WTZQPIZVCUWBHB-UHFFFAOYSA-N -2 3 324.362 0.938 20 0 DCADHL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000263319272 416337588 /nfs/dbraw/zinc/33/75/88/416337588.db2.gz QXRMAJJWSFWKCI-ANRSDYALSA-N -2 3 319.317 0.286 20 0 DCADHL COCCc1nc(=NCc2nnc(C(F)(F)F)[n-]2)s[n-]1 ZINC000359694236 416354064 /nfs/dbraw/zinc/35/40/64/416354064.db2.gz IESMCAFZXMBJRQ-UHFFFAOYSA-N -2 3 308.289 0.898 20 0 DCADHL COCCc1nc(=NCc2n[n-]c(C(F)(F)F)n2)s[n-]1 ZINC000359694236 416354065 /nfs/dbraw/zinc/35/40/65/416354065.db2.gz IESMCAFZXMBJRQ-UHFFFAOYSA-N -2 3 308.289 0.898 20 0 DCADHL COCCc1nc(=NCc2nc(C(F)(F)F)n[n-]2)s[n-]1 ZINC000359694236 416354066 /nfs/dbraw/zinc/35/40/66/416354066.db2.gz IESMCAFZXMBJRQ-UHFFFAOYSA-N -2 3 308.289 0.898 20 0 DCADHL COC[C@@H]([N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)[O-] ZINC000516968096 416762016 /nfs/dbraw/zinc/76/20/16/416762016.db2.gz CLVUTICEBLEJFP-SECBINFHSA-N -2 3 320.367 0.491 20 0 DCADHL COc1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])c(F)c1 ZINC000560379668 416847454 /nfs/dbraw/zinc/84/74/54/416847454.db2.gz NUOXYVJICKWKPS-UHFFFAOYSA-N -2 3 307.299 0.214 20 0 DCADHL CCn1nncc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000530149597 417543339 /nfs/dbraw/zinc/54/33/39/417543339.db2.gz OVQUFGFGXHOBTE-UHFFFAOYSA-N -2 3 300.296 0.068 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCOCC2CC2)cc1C(=O)[O-] ZINC000645958727 417830757 /nfs/dbraw/zinc/83/07/57/417830757.db2.gz COKZBQOYWCOBHQ-UHFFFAOYSA-N -2 3 303.336 0.991 20 0 DCADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000645963822 417833510 /nfs/dbraw/zinc/83/35/10/417833510.db2.gz VUVYWOBMDYXYTQ-SSDOTTSWSA-N -2 3 321.376 0.912 20 0 DCADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](CCOC)C(=O)[O-] ZINC000646042044 417860131 /nfs/dbraw/zinc/86/01/31/417860131.db2.gz MVMQZUQHDCNRNL-VIFPVBQESA-N -2 3 318.351 0.248 20 0 DCADHL Cn1cnc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000646057192 417865033 /nfs/dbraw/zinc/86/50/33/417865033.db2.gz ZEEWQZHKFUSLMW-UHFFFAOYSA-N -2 3 314.323 0.017 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663254718 418005802 /nfs/dbraw/zinc/00/58/02/418005802.db2.gz MFQBLUYGSKXMDW-JTQLQIEISA-N -2 3 301.368 0.682 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCC1 ZINC000663429866 418018389 /nfs/dbraw/zinc/01/83/89/418018389.db2.gz IZBBSKYRFGASCM-JTQLQIEISA-N -2 3 317.367 0.591 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O)oc1C(=O)[O-] ZINC000663424295 418018785 /nfs/dbraw/zinc/01/87/85/418018785.db2.gz NSXJSJDEJXNGMD-VXNVDRBHSA-N -2 3 305.352 0.972 20 0 DCADHL C[C@H](COCC1CC1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000650447852 418311761 /nfs/dbraw/zinc/31/17/61/418311761.db2.gz YDHQSDMOSNYHSU-SSDOTTSWSA-N -2 3 320.392 0.935 20 0 DCADHL O=C([O-])c1conc1C[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC000656165147 418332273 /nfs/dbraw/zinc/33/22/73/418332273.db2.gz NOTSAJYNSJIODM-UHFFFAOYSA-N -2 3 322.342 0.960 20 0 DCADHL Cc1noc(=NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)[n-]1 ZINC000495022492 272235734 /nfs/dbraw/zinc/23/57/34/272235734.db2.gz XPAVNGCIRWUTGC-CQSZACIVSA-N -2 3 315.289 0.107 20 0 DCADHL CC(=O)NCCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)C(=O)[O-] ZINC000263037819 278107933 /nfs/dbraw/zinc/10/79/33/278107933.db2.gz DJCUEVPGPLVOHX-SNVBAGLBSA-N -2 3 308.334 0.752 20 0 DCADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC000547548378 288056772 /nfs/dbraw/zinc/05/67/72/288056772.db2.gz JVHSILGMNVTKLU-IUCAKERBSA-N -2 3 320.392 0.528 20 0 DCADHL C[C@H](C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000547870567 288086785 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20 0 DCADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N1 ZINC001589002519 1166626870 /nfs/dbraw/zinc/62/68/70/1166626870.db2.gz CSLLIUQYQXFNGT-KCJUWKMLSA-N -2 3 316.321 0.191 20 0 DCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(F)F ZINC001590031723 1166757163 /nfs/dbraw/zinc/75/71/63/1166757163.db2.gz ORLWWLHHCJLIIU-ZETCQYMHSA-N -2 3 313.264 0.947 20 0 DCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(F)F ZINC001590031723 1166757169 /nfs/dbraw/zinc/75/71/69/1166757169.db2.gz ORLWWLHHCJLIIU-ZETCQYMHSA-N -2 3 313.264 0.947 20 0 DCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OC(C)(C)CO ZINC001590025542 1166758267 /nfs/dbraw/zinc/75/82/67/1166758267.db2.gz YUQDLRLQCMWICQ-VIFPVBQESA-N -2 3 321.337 0.453 20 0 DCADHL CO[N-]C(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001591466432 1167298821 /nfs/dbraw/zinc/29/88/21/1167298821.db2.gz KYTUQTLPSSIURJ-UHFFFAOYSA-N -2 3 316.243 0.975 20 0 DCADHL CO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001591466432 1167298824 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O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001593172677 1167732315 /nfs/dbraw/zinc/73/23/15/1167732315.db2.gz LVFSWJUUJSVRRQ-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001593172677 1167732320 /nfs/dbraw/zinc/73/23/20/1167732320.db2.gz LVFSWJUUJSVRRQ-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=C([O-])[C@H](C[C@H]1CCCOC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001593275276 1167751640 /nfs/dbraw/zinc/75/16/40/1167751640.db2.gz CVTQVFGZBJXASN-SKDRFNHKSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@H](C[C@H]1CCCOC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001593275276 1167751648 /nfs/dbraw/zinc/75/16/48/1167751648.db2.gz CVTQVFGZBJXASN-SKDRFNHKSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593274806 1167751994 /nfs/dbraw/zinc/75/19/94/1167751994.db2.gz QREUUTLVMMDBBD-SECBINFHSA-N -2 3 302.294 0.805 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593274806 1167752002 /nfs/dbraw/zinc/75/20/02/1167752002.db2.gz QREUUTLVMMDBBD-SECBINFHSA-N -2 3 302.294 0.805 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)O1 ZINC001593275747 1167752831 /nfs/dbraw/zinc/75/28/31/1167752831.db2.gz XGRMEFZFAYTVHY-VHSXEESVSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)O1 ZINC001593275747 1167752839 /nfs/dbraw/zinc/75/28/39/1167752839.db2.gz XGRMEFZFAYTVHY-VHSXEESVSA-N -2 3 321.268 0.577 20 0 DCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccn1)c1cccnc1 ZINC001593444717 1167846031 /nfs/dbraw/zinc/84/60/31/1167846031.db2.gz CJALLLFUXGLVAL-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccn1)c1cccnc1 ZINC001593444717 1167846040 /nfs/dbraw/zinc/84/60/40/1167846040.db2.gz CJALLLFUXGLVAL-UHFFFAOYSA-N -2 3 303.307 0.458 20 0 DCADHL Cc1cnn(C)c1CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600635918 1168223045 /nfs/dbraw/zinc/22/30/45/1168223045.db2.gz UYILZICKYNRGOZ-LOIXOFCESA-N -2 3 307.350 0.726 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCOCC2CC2)c1C(=O)[O-] ZINC001600674211 1168245138 /nfs/dbraw/zinc/24/51/38/1168245138.db2.gz QJUGMGHGCPVMGE-UHFFFAOYSA-N -2 3 317.367 0.511 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001600855614 1168487079 /nfs/dbraw/zinc/48/70/79/1168487079.db2.gz RFHCVGCAQBBTKH-RITPCOANSA-N -3 3 305.308 0.674 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-] ZINC001600995447 1168553766 /nfs/dbraw/zinc/55/37/66/1168553766.db2.gz SJWJWQPSEGVFBP-JTQLQIEISA-N -2 3 316.383 0.517 20 0 DCADHL Cn1[n-]c(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)nc1=O ZINC001601010427 1168560769 /nfs/dbraw/zinc/56/07/69/1168560769.db2.gz MMFBPQHEWSYLPG-OAHLLOKOSA-N -2 3 302.334 0.337 20 0 DCADHL NC(=O)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC001601147203 1168601436 /nfs/dbraw/zinc/60/14/36/1168601436.db2.gz KSAKAWXBZGZCIY-UHFFFAOYSA-N -2 3 302.308 0.054 20 0 DCADHL O=C(C=Cc1cc(C(=O)[O-])co1)NCCCc1c[n-][nH]c1=O ZINC001601232061 1168671414 /nfs/dbraw/zinc/67/14/14/1168671414.db2.gz BIPGNAIUBGLRJV-TYRPZCRBSA-N -2 3 305.290 0.619 20 0 DCADHL O=C([O-])c1ccccc1CCC(=O)NCCCc1c[n-][nH]c1=O ZINC001601291160 1168691756 /nfs/dbraw/zinc/69/17/56/1168691756.db2.gz CYHYKWLSNNZDJW-GFCCVEGCSA-N -2 3 317.345 0.946 20 0 DCADHL O=C([O-])c1cccn(CC(=O)NCc2ccc([O-])c(F)c2)c1=O ZINC001601389058 1168730565 /nfs/dbraw/zinc/73/05/65/1168730565.db2.gz YRZPOIJMONLOOP-UHFFFAOYSA-N -2 3 320.276 0.708 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601448839 1168750652 /nfs/dbraw/zinc/75/06/52/1168750652.db2.gz OKFANMRUWKHUDL-ONGXEEELSA-N -2 3 310.281 0.146 20 0 DCADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)[n-]cn1)Cc1cccc(F)c1 ZINC001601463430 1168754514 /nfs/dbraw/zinc/75/45/14/1168754514.db2.gz ZYQJRCPDPXTFGQ-JTQLQIEISA-N -2 3 319.292 0.995 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)O1 ZINC001602176592 1169016241 /nfs/dbraw/zinc/01/62/41/1169016241.db2.gz GOWIMLJRCLZWLN-ZJUUUORDSA-N -2 3 307.306 0.308 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2nc[nH]n2)oc1Cl ZINC001602295409 1169050490 /nfs/dbraw/zinc/05/04/90/1169050490.db2.gz YEUWPWZOVSUJEF-UHFFFAOYSA-N -2 3 320.714 0.270 20 0 DCADHL O=C([O-])c1cnc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)cn1 ZINC001602519979 1169104807 /nfs/dbraw/zinc/10/48/07/1169104807.db2.gz FLCSDDOTSOQTSH-MRVPVSSYSA-N -2 3 305.294 0.643 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC001602583776 1169126726 /nfs/dbraw/zinc/12/67/26/1169126726.db2.gz RDMISIOPNLNSTL-UHFFFAOYSA-N -3 3 306.321 0.127 20 0 DCADHL CC(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1[O-] ZINC001603109003 1169247546 /nfs/dbraw/zinc/24/75/46/1169247546.db2.gz SKHLOZVAXMCJCT-OQPBUACISA-N -2 3 307.302 0.909 20 0 DCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OCCO ZINC001603176106 1169267403 /nfs/dbraw/zinc/26/74/03/1169267403.db2.gz FSCOEQMOUQWTCK-UHFFFAOYSA-N -2 3 307.310 0.064 20 0 DCADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001603724841 1169371444 /nfs/dbraw/zinc/37/14/44/1169371444.db2.gz VHQWNEKAYGSSQS-LURJTMIESA-N -3 3 322.364 0.619 20 0 DCADHL CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001603789843 1169392222 /nfs/dbraw/zinc/39/22/22/1169392222.db2.gz YCYYRXSRGWXKJS-QMMMGPOBSA-N -2 3 322.408 0.917 20 0 DCADHL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603864987 1169417563 /nfs/dbraw/zinc/41/75/63/1169417563.db2.gz NEKZQUJSFBOOQY-KCJUWKMLSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001603864987 1169417560 /nfs/dbraw/zinc/41/75/60/1169417560.db2.gz NEKZQUJSFBOOQY-KCJUWKMLSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@@H](CCCCO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001604133142 1169503310 /nfs/dbraw/zinc/50/33/10/1169503310.db2.gz UBZMJMSBJMABKJ-ZETCQYMHSA-N -2 3 308.381 0.671 20 0 DCADHL CCC/C=C\[C@@H](O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001604157074 1169507691 /nfs/dbraw/zinc/50/76/91/1169507691.db2.gz UBNOJYYRGLMYSS-HXUAIIEXSA-N -2 3 303.322 0.994 20 0 DCADHL CCC/C=C\[C@@H](O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001604157074 1169507695 /nfs/dbraw/zinc/50/76/95/1169507695.db2.gz UBNOJYYRGLMYSS-HXUAIIEXSA-N -2 3 303.322 0.994 20 0 DCADHL CCCN(CC(=O)[O-])C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001604201142 1169523298 /nfs/dbraw/zinc/52/32/98/1169523298.db2.gz YUWGYEQCOUHCQT-UHFFFAOYSA-N -2 3 304.310 0.507 20 0 DCADHL CCCN(CC(=O)[O-])C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001604201142 1169523302 /nfs/dbraw/zinc/52/33/02/1169523302.db2.gz YUWGYEQCOUHCQT-UHFFFAOYSA-N -2 3 304.310 0.507 20 0 DCADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001604837563 1169702441 /nfs/dbraw/zinc/70/24/41/1169702441.db2.gz MKHBKRGJHMSGBM-CPCISQLKSA-N -2 3 323.330 0.908 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(OC)OC ZINC001605104595 1169825260 /nfs/dbraw/zinc/82/52/60/1169825260.db2.gz HERGSTXMZKBGAD-ZCFIWIBFSA-N -2 3 324.380 0.517 20 0 DCADHL CN(C(=O)c1cc(=O)[n-]cn1)c1ccc(OCC(=O)[O-])cc1 ZINC001605980162 1170041040 /nfs/dbraw/zinc/04/10/40/1170041040.db2.gz MBLBYXPVZCIPBW-UHFFFAOYSA-N -2 3 303.274 0.922 20 0 DCADHL CN(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606018980 1170051442 /nfs/dbraw/zinc/05/14/42/1170051442.db2.gz JJGYGOGVCRLOJB-WPRPVWTQSA-N -2 3 317.367 0.524 20 0 DCADHL CN(CCNc1ccnc(C(=O)[O-])n1)C(=O)c1ccccc1[O-] ZINC001606133376 1170090896 /nfs/dbraw/zinc/09/08/96/1170090896.db2.gz SOGHTRFLFZECFP-UHFFFAOYSA-N -2 3 316.317 0.486 20 0 DCADHL COC(=O)[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001606407047 1170187808 /nfs/dbraw/zinc/18/78/08/1170187808.db2.gz LNVAOSWHHKCGAF-KWQFWETISA-N -2 3 323.301 0.576 20 0 DCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]OC1CCOCC1 ZINC001606578910 1170236949 /nfs/dbraw/zinc/23/69/49/1170236949.db2.gz WTKHUBJIIKDKCG-UHFFFAOYSA-N -2 3 319.321 0.472 20 0 DCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]OC1CCOCC1 ZINC001606578910 1170236951 /nfs/dbraw/zinc/23/69/51/1170236951.db2.gz WTKHUBJIIKDKCG-UHFFFAOYSA-N -2 3 319.321 0.472 20 0 DCADHL COC(=O)c1ccn(CCCC(=O)[N-]OCCCC(=O)[O-])n1 ZINC001606622420 1170245212 /nfs/dbraw/zinc/24/52/12/1170245212.db2.gz VWRIYYXKKWCEMY-UHFFFAOYSA-N -2 3 313.310 0.363 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1 ZINC001606637127 1170249408 /nfs/dbraw/zinc/24/94/08/1170249408.db2.gz WGNIVMCYFMPUMS-UHFFFAOYSA-N -2 3 320.348 0.073 20 0 DCADHL O=C([N-]N1Cc2ccccc2C1=O)c1cnccc1-c1nn[n-]n1 ZINC001606850292 1170312302 /nfs/dbraw/zinc/31/23/02/1170312302.db2.gz HCNFWJBQFKTVOC-UHFFFAOYSA-N -2 3 321.300 0.563 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC001607987819 1170539911 /nfs/dbraw/zinc/53/99/11/1170539911.db2.gz XOVBXXPJSDOATC-RKDXNWHRSA-N -2 3 320.392 0.467 20 0 DCADHL O=C([O-])[C@@]1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCOC1 ZINC001608428273 1170677009 /nfs/dbraw/zinc/67/70/09/1170677009.db2.gz PBVSXYUNFYRJMQ-CYBMUJFWSA-N -2 3 308.269 0.318 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)[C@@H]2CCCOC2)o1 ZINC001608911114 1170770999 /nfs/dbraw/zinc/77/09/99/1170770999.db2.gz XNWKVYPOCKKNPA-RKDXNWHRSA-N -2 3 319.335 0.044 20 0 DCADHL CCOCCO[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609241369 1170892983 /nfs/dbraw/zinc/89/29/83/1170892983.db2.gz SBMYECSXJLMFND-JTQLQIEISA-N -2 3 321.337 0.718 20 0 DCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C1CC=CC1 ZINC001609560438 1171021239 /nfs/dbraw/zinc/02/12/39/1171021239.db2.gz NZYWEAYKIYYPOF-UHFFFAOYSA-N -2 3 320.334 0.033 20 0 DCADHL O=C([N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C1CC=CC1 ZINC001609560438 1171021244 /nfs/dbraw/zinc/02/12/44/1171021244.db2.gz NZYWEAYKIYYPOF-UHFFFAOYSA-N -2 3 320.334 0.033 20 0 DCADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H]1CCCOC1 ZINC001609782874 1171083326 /nfs/dbraw/zinc/08/33/26/1171083326.db2.gz DWMNSBFXWWDOAX-YUMQZZPRSA-N -2 3 320.392 0.935 20 0 DCADHL CC1(C)OCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CO1 ZINC001609819990 1171094399 /nfs/dbraw/zinc/09/43/99/1171094399.db2.gz ZWUOPIFWDTYKQC-UHFFFAOYSA-N -2 3 305.308 0.408 20 0 DCADHL COC(=O)c1coc(C=CC(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001641493704 1171918440 /nfs/dbraw/zinc/91/84/40/1171918440.db2.gz WWTWHMHFVGDWEA-NSCUHMNNSA-N -2 3 319.273 0.597 20 0 DCADHL O=C([O-])C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000386212498 1190699491 /nfs/dbraw/zinc/69/94/91/1190699491.db2.gz MMDIQXGWVIHFFS-UHFFFAOYSA-N -2 3 301.306 0.804 20 0 DCADHL O=C([O-])C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000386212498 1190699493 /nfs/dbraw/zinc/69/94/93/1190699493.db2.gz MMDIQXGWVIHFFS-UHFFFAOYSA-N -2 3 301.306 0.804 20 0 DCADHL CCOC(=O)C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(F)(F)F ZINC001233933538 769498988 /nfs/dbraw/zinc/49/89/88/769498988.db2.gz CXBYIAWZFOACRY-ZCFIWIBFSA-N -2 3 320.227 0.909 20 0 DCADHL O=C([O-])C[C@@H](O)C(=O)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234689734 769718827 /nfs/dbraw/zinc/71/88/27/769718827.db2.gz SVWMIRPSJWBTCX-SECBINFHSA-N -2 3 304.258 0.590 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])c1cn2c(n1)CCCC2 ZINC001153411807 769810374 /nfs/dbraw/zinc/81/03/74/769810374.db2.gz 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O=C1CCC(S(=O)(=O)NCCCCP(=O)([O-])[O-])CC1 ZINC001194821681 773265927 /nfs/dbraw/zinc/26/59/27/773265927.db2.gz RPQGVRZPTVWPFU-UHFFFAOYSA-N -2 3 313.312 0.375 20 0 DCADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C[C@@H](O)C1 ZINC001195246537 773355602 /nfs/dbraw/zinc/35/56/02/773355602.db2.gz HYPGBQSUZLVMAU-KEYALVSWSA-N -2 3 321.301 0.855 20 0 DCADHL COC(=O)c1cc(C(=O)NCCCCP(=O)([O-])[O-])ccn1 ZINC001197056014 773684391 /nfs/dbraw/zinc/68/43/91/773684391.db2.gz ZJGPORZLWPQVRP-UHFFFAOYSA-N -2 3 316.250 0.556 20 0 DCADHL CN(C)c1cnccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001198177604 773871927 /nfs/dbraw/zinc/87/19/27/773871927.db2.gz DNSXHILMGPPIRJ-UHFFFAOYSA-N -2 3 301.283 0.835 20 0 DCADHL O=C(NCCOP(=O)([O-])[O-])[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001220221270 774738307 /nfs/dbraw/zinc/73/83/07/774738307.db2.gz XMIWGDGBTRYHNE-RNFRBKRXSA-N -2 3 320.204 0.142 20 0 DCADHL O=c1nc2c(=O)[n-]c(=O)[nH]c2c(O[C@H]2CCn3ccnc32)[n-]1 ZINC001226888705 775891154 /nfs/dbraw/zinc/89/11/54/775891154.db2.gz VFVLYLPQDPLTKK-YFKPBYRVSA-N -2 3 302.250 0.257 20 0 DCADHL CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3nc(=O)[n-]c(=O)[n-]3)[C@@H]2C1 ZINC001227569693 775985937 /nfs/dbraw/zinc/98/59/37/775985937.db2.gz FBICVLPXFYXVDR-DJLDLDEBSA-N -2 3 324.337 0.917 20 0 DCADHL Cc1nsc(NC(=O)NC[C@H](C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592481320 1167533855 /nfs/dbraw/zinc/53/38/55/1167533855.db2.gz LPZFBQMLABJNPD-BYPYZUCNSA-N -2 3 311.327 0.474 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C=C[C@H](CO)C2)oc1C(=O)[O-] ZINC001600300173 1168162193 /nfs/dbraw/zinc/16/21/93/1168162193.db2.gz BICUDILZLDLIIZ-DTWKUNHWSA-N -2 3 301.320 0.502 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCO[C@H](C)C2)c1C(=O)[O-] ZINC001600672880 1168242348 /nfs/dbraw/zinc/24/23/48/1168242348.db2.gz JPQGBLLSHXRKPI-SVRRBLITSA-N -2 3 303.340 0.262 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@H]2C)c1C(=O)[O-] ZINC001600673878 1168245509 /nfs/dbraw/zinc/24/55/09/1168245509.db2.gz WJCPVVVZQDNCJX-YEPSODPASA-N -2 3 317.367 0.508 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1C(=O)[O-] ZINC001600673487 1168244653 /nfs/dbraw/zinc/24/46/53/1168244653.db2.gz GDOMEUIKPUPWSR-LURJTMIESA-N -3 3 319.339 0.196 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)cc1C(=O)[O-] ZINC001600855610 1168486550 /nfs/dbraw/zinc/48/65/50/1168486550.db2.gz RCBLSGNPRKBITK-LURJTMIESA-N -3 3 317.319 0.818 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cccc(F)n1 ZINC001602507003 1169100828 /nfs/dbraw/zinc/10/08/28/1169100828.db2.gz XFGHCLPDPPBPAF-UHFFFAOYSA-N -2 3 300.271 0.121 20 0 DCADHL C[N-]S(=O)(=O)c1cc(-c2nc(CC(=O)[O-])no2)c(C)o1 ZINC001610960160 970808320 /nfs/dbraw/zinc/80/83/20/970808320.db2.gz DSCCOQZCDUKFHB-UHFFFAOYSA-N -2 3 301.280 0.173 20 0 DCADHL CC(=O)c1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])cc1 ZINC001259180338 946923329 /nfs/dbraw/zinc/92/33/29/946923329.db2.gz UGTLFSIIZQBFTG-UHFFFAOYSA-N -2 3 307.264 0.345 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC001259243951 946930475 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O=C([O-])[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CCC1 ZINC001594735622 957067359 /nfs/dbraw/zinc/06/73/59/957067359.db2.gz FYCZFIGBKNMCLF-GFCCVEGCSA-N -2 3 316.313 0.801 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCc1ccccn1 ZINC000134667860 958844186 /nfs/dbraw/zinc/84/41/86/958844186.db2.gz KEAMTDLZZHNKOI-UHFFFAOYSA-N -2 3 313.360 0.757 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCN(C2CC2)C1 ZINC000134700496 958854831 /nfs/dbraw/zinc/85/48/31/958854831.db2.gz LGQKDCYGZVDXFN-ZETCQYMHSA-N -2 3 317.392 0.356 20 0 DCADHL Cn1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC000134731321 958859620 /nfs/dbraw/zinc/85/96/20/958859620.db2.gz GUDWMGMPNGTSSY-UHFFFAOYSA-N -2 3 302.337 0.053 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)CCCCC(=O)[O-])C2)n1 ZINC001594269328 959784524 /nfs/dbraw/zinc/78/45/24/959784524.db2.gz LSYBLAMKVGDEGA-NSHDSACASA-N -2 3 322.365 0.831 20 0 DCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1coc(C2CCOCC2)n1 ZINC001363148500 960479107 /nfs/dbraw/zinc/47/91/07/960479107.db2.gz AVSFPGWYVLVTEM-UHFFFAOYSA-N -2 3 320.305 0.700 20 0 DCADHL CC(C)Oc1ncccc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001363148550 960483222 /nfs/dbraw/zinc/48/32/22/960483222.db2.gz AYCRCNPRDMACEU-UHFFFAOYSA-N -2 3 304.306 1.000 20 0 DCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(C(=O)[O-])nn2C)n1 ZINC001574307129 960745445 /nfs/dbraw/zinc/74/54/45/960745445.db2.gz UEYVZPAGPPDLGB-UHFFFAOYSA-N -2 3 319.321 0.587 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@]23CCC[C@H]2OCC3)c1C(=O)[O-] ZINC001571126151 961500487 /nfs/dbraw/zinc/50/04/87/961500487.db2.gz NWXYAVLPPRUGOR-PELKAZGASA-N -2 3 315.351 0.406 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](CO)CC2CC2)c1C(=O)[O-] ZINC001571133727 961599915 /nfs/dbraw/zinc/59/99/15/961599915.db2.gz VPIYQEXKJTYLCQ-SECBINFHSA-N -2 3 317.367 0.103 20 0 DCADHL CC(C)[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(=O)[O-] ZINC001588960779 962619211 /nfs/dbraw/zinc/61/92/11/962619211.db2.gz BADNSOGCZTYECT-DCXZOGHSSA-N -2 3 314.429 0.826 20 0 DCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccc(N2CCCC2)nn1 ZINC001364208936 962674874 /nfs/dbraw/zinc/67/48/74/962674874.db2.gz XBZAAVHKPVHUQW-UHFFFAOYSA-N -2 3 316.321 0.208 20 0 DCADHL N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000313876440 963688011 /nfs/dbraw/zinc/68/80/11/963688011.db2.gz BFPHFQCNLNQIHE-LURJTMIESA-N -2 3 323.252 0.637 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605528748 973715413 /nfs/dbraw/zinc/71/54/13/973715413.db2.gz VQGUBJOVMOUCHA-QWRGUYRKSA-N -2 3 322.346 0.407 20 0 DCADHL Cn1nccc1[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001605567318 973811927 /nfs/dbraw/zinc/81/19/27/973811927.db2.gz CTQRGZLJZJVUBY-NSHDSACASA-N -2 3 318.268 0.386 20 0 DCADHL O=C([O-])c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001606500981 973987970 /nfs/dbraw/zinc/98/79/70/973987970.db2.gz QWOATDJTMFAAGF-UHFFFAOYSA-N -2 3 311.261 0.607 20 0 DCADHL O=C([O-])c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001606500981 973987980 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C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592912997 979884169 /nfs/dbraw/zinc/88/41/69/979884169.db2.gz RITFNKDMUTWQGX-MRVPVSSYSA-N -2 3 313.335 0.621 20 0 DCADHL CCCC[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(=O)OC ZINC001595640221 981961490 /nfs/dbraw/zinc/96/14/90/981961490.db2.gz BYTMGBWIIZKELY-SNVBAGLBSA-N -2 3 321.395 0.893 20 0 DCADHL CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001595915318 983012001 /nfs/dbraw/zinc/01/20/01/983012001.db2.gz HSAGPXXUHICMDR-ZCFIWIBFSA-N -2 3 321.380 0.034 20 0 DCADHL COCCC(C)(C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573975706 983147188 /nfs/dbraw/zinc/14/71/88/983147188.db2.gz RPRYDYSNNKYLLR-UHFFFAOYSA-N -2 3 305.356 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2COC(C)(C)C2)c1C(=O)[O-] ZINC001574182013 983183418 /nfs/dbraw/zinc/18/34/18/983183418.db2.gz HSQLSTCWLFPYTQ-SSDOTTSWSA-N -2 3 303.340 0.262 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)[nH]1 ZINC001574812293 983280406 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LWOOPWOADSFDAO-UHFFFAOYSA-N -2 3 321.333 0.334 20 0 DCADHL CCOC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000291034157 396477751 /nfs/dbraw/zinc/47/77/51/396477751.db2.gz XNPKCFWPHLLPDK-SNVBAGLBSA-N -2 3 305.327 0.902 20 0 DCADHL CCc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)ccc1[O-] ZINC000293038809 396583202 /nfs/dbraw/zinc/58/32/02/396583202.db2.gz VXMWPDNMVKEXME-UHFFFAOYSA-N -2 3 314.363 0.150 20 0 DCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)c1 ZINC000581882198 396589451 /nfs/dbraw/zinc/58/94/51/396589451.db2.gz IQKVFNWXLWTKCI-LLVKDONJSA-N -2 3 319.408 0.703 20 0 DCADHL C[C@]1(C[C@@H]2CCCN2C(=O)c2ncccc2[O-])NC(=O)[N-]C1=O ZINC000561240038 396636085 /nfs/dbraw/zinc/63/60/85/396636085.db2.gz GCKFULCRZQGBJY-BJOHPYRUSA-N -2 3 318.333 0.380 20 0 DCADHL CC(C)O[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000295547976 396699881 /nfs/dbraw/zinc/69/98/81/396699881.db2.gz LLJNIGHQIJOJCZ-UHFFFAOYSA-N -2 3 306.116 0.168 20 0 DCADHL O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1cc([O-])ccc1Cl ZINC000629490331 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DQOSCLBECXPEEA-MRVPVSSYSA-N -2 3 301.306 0.944 20 0 DCADHL C[C@H](C(=O)[O-])N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819877138 607106453 /nfs/dbraw/zinc/10/64/53/607106453.db2.gz PIVKEGITNWBPCV-MRVPVSSYSA-N -2 3 305.294 0.177 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825029245 608038776 /nfs/dbraw/zinc/03/87/76/608038776.db2.gz PMCDAITZCWCIKU-BAQGIRSFSA-N -2 3 307.335 0.638 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825029245 608038777 /nfs/dbraw/zinc/03/87/77/608038777.db2.gz PMCDAITZCWCIKU-BAQGIRSFSA-N -2 3 307.335 0.638 20 0 DCADHL CSC[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000903054381 663446445 /nfs/dbraw/zinc/44/64/45/663446445.db2.gz JYKSHXNOXIDWBJ-ZCFIWIBFSA-N -2 3 310.784 0.830 20 0 DCADHL C[C@H]1C(=O)N([N-]C(=O)c2c(Cl)[n-]nc2C2CC2)C(=O)N1C ZINC000912816740 664234239 /nfs/dbraw/zinc/23/42/39/664234239.db2.gz GAGDGAQAQQNDES-YFKPBYRVSA-N -2 3 311.729 0.868 20 0 DCADHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000032587919 664940998 /nfs/dbraw/zinc/94/09/98/664940998.db2.gz JNPNHSQRVPWYFE-UHFFFAOYSA-N -2 3 301.324 0.869 20 0 DCADHL O=C([N-]OCc1ccc(C(F)(F)F)cc1)c1nc(=O)[n-][nH]1 ZINC000154104666 665080373 /nfs/dbraw/zinc/08/03/73/665080373.db2.gz VTPOFEMQETVKDZ-UHFFFAOYSA-N -2 3 302.212 0.978 20 0 DCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000916708846 665090298 /nfs/dbraw/zinc/09/02/98/665090298.db2.gz ACMDRBJWXSBFFZ-UHFFFAOYSA-N -2 3 324.305 0.319 20 0 DCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CC)C(=O)[O-] ZINC000917720355 665141238 /nfs/dbraw/zinc/14/12/38/665141238.db2.gz NYESFNNQAIQVNM-SSDOTTSWSA-N -2 3 319.339 0.036 20 0 DCADHL CC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000776536365 668877394 /nfs/dbraw/zinc/87/73/94/668877394.db2.gz CYSKQWBEZBVEDB-ZCFIWIBFSA-N -2 3 322.364 0.319 20 0 DCADHL Cc1ccc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)c([O-])c1 ZINC000882664224 669562896 /nfs/dbraw/zinc/56/28/96/669562896.db2.gz OYSDMBVRAKWJAZ-SFHVURJKSA-N -2 3 307.397 0.932 20 0 DCADHL O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000820287702 671188885 /nfs/dbraw/zinc/18/88/85/671188885.db2.gz BMHNOASPDRPXFV-UHFFFAOYSA-N -2 3 304.184 0.798 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CC=C(C(=O)[O-])C1 ZINC000853070635 671206517 /nfs/dbraw/zinc/20/65/17/671206517.db2.gz ZAHRDNKOFQWBHR-QMMMGPOBSA-N -2 3 319.770 0.834 20 0 DCADHL C[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824738239 671439199 /nfs/dbraw/zinc/43/91/99/671439199.db2.gz NMZLNAOCPVJVNI-HTQZYQBOSA-N -2 3 305.294 0.223 20 0 DCADHL Nc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c([O-])c1 ZINC000832185493 671708286 /nfs/dbraw/zinc/70/82/86/671708286.db2.gz BWESTDLMCDRACV-QMMMGPOBSA-N -2 3 303.322 0.818 20 0 DCADHL O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-] ZINC001010265973 691203107 /nfs/dbraw/zinc/20/31/07/691203107.db2.gz FBSFYJVSACVTBV-VIFPVBQESA-N -2 3 303.322 0.220 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC000386305780 1158455896 /nfs/dbraw/zinc/45/58/96/1158455896.db2.gz WCVACAFMXWPFHS-SNVBAGLBSA-N -2 3 317.367 0.327 20 0 DCADHL Cc1nc(CCC(=O)[O-])cc(N2CCc3c(=O)[n-]cnc3C2)n1 ZINC001574187752 1163655065 /nfs/dbraw/zinc/65/50/65/1163655065.db2.gz MRZUOUXWFDONRX-UHFFFAOYSA-N -2 3 315.333 0.861 20 0 DCADHL Cc1nc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)ncc1C(=O)[O-] ZINC001574187693 1163655266 /nfs/dbraw/zinc/65/52/66/1163655266.db2.gz JPKZCVLSXMEDQU-VIFPVBQESA-N -2 3 316.321 0.670 20 0 DCADHL Cn1nc(C(=O)[N-]c2nnc(CC(=O)[O-])s2)cc1Cl ZINC001574226248 1163670069 /nfs/dbraw/zinc/67/00/69/1163670069.db2.gz ACXRZPCKCJGZBS-UHFFFAOYSA-N -2 3 301.715 0.804 20 0 DCADHL O=C([O-])c1c[nH]nc1[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC001574414855 1163718252 /nfs/dbraw/zinc/71/82/52/1163718252.db2.gz GLFCSWFJLFFGJF-SSDOTTSWSA-N -2 3 303.278 0.233 20 0 DCADHL CC(C)CO[N-]C(=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001589647240 1166671707 /nfs/dbraw/zinc/67/17/07/1166671707.db2.gz HMAVWQJERNDKPK-UHFFFAOYSA-N -2 3 318.337 0.187 20 0 DCADHL CC(C)CO[N-]C(=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001589647240 1166671712 /nfs/dbraw/zinc/67/17/12/1166671712.db2.gz HMAVWQJERNDKPK-UHFFFAOYSA-N -2 3 318.337 0.187 20 0 DCADHL CCO[C@@H]1[C@H](C)[C@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590786730 1167019626 /nfs/dbraw/zinc/01/96/26/1167019626.db2.gz QBEJDSRQJWFWQG-GGZOMVNGSA-N -2 3 303.322 0.948 20 0 DCADHL CCO[C@@H]1[C@H](C)[C@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590786730 1167019630 /nfs/dbraw/zinc/01/96/30/1167019630.db2.gz QBEJDSRQJWFWQG-GGZOMVNGSA-N -2 3 303.322 0.948 20 0 DCADHL CCc1nnc(N2CC[C@@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1CC ZINC001590931132 1167053948 /nfs/dbraw/zinc/05/39/48/1167053948.db2.gz LEGYNZATYYRKCZ-MRVPVSSYSA-N -2 3 317.353 0.692 20 0 DCADHL CCc1nnc(N2CC[C@@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1CC ZINC001590931132 1167053955 /nfs/dbraw/zinc/05/39/55/1167053955.db2.gz LEGYNZATYYRKCZ-MRVPVSSYSA-N -2 3 317.353 0.692 20 0 DCADHL Cc1cc(C=O)c([O-])c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001591958953 1167425009 /nfs/dbraw/zinc/42/50/09/1167425009.db2.gz VFEZOPIVPKYJKP-UHFFFAOYSA-N -2 3 313.277 0.669 20 0 DCADHL Cc1cc(C=O)c([O-])c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001591958953 1167425013 /nfs/dbraw/zinc/42/50/13/1167425013.db2.gz VFEZOPIVPKYJKP-UHFFFAOYSA-N -2 3 313.277 0.669 20 0 DCADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)on1 ZINC001591969179 1167428584 /nfs/dbraw/zinc/42/85/84/1167428584.db2.gz TUBZUUCFSRPDJI-UHFFFAOYSA-N -2 3 310.295 0.235 20 0 DCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccsc2)c1-c1nnn[n-]1 ZINC001592331831 1167491553 /nfs/dbraw/zinc/49/15/53/1167491553.db2.gz OBMDGATUVKXRGE-UHFFFAOYSA-N -2 3 311.352 0.761 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2ccn(C)n2)cc1-c1nnn[n-]1 ZINC001592415365 1167517777 /nfs/dbraw/zinc/51/77/77/1167517777.db2.gz WSTSEOJTJFMKLI-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2ccn(C)n2)cc1-c1nn[n-]n1 ZINC001592415365 1167517779 /nfs/dbraw/zinc/51/77/79/1167517779.db2.gz WSTSEOJTJFMKLI-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]OC1CCC1 ZINC001592872232 1167654060 /nfs/dbraw/zinc/65/40/60/1167654060.db2.gz UOZMXTUAGARIBT-UHFFFAOYSA-N -2 3 316.321 0.197 20 0 DCADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]OC1CCC1 ZINC001592872232 1167654067 /nfs/dbraw/zinc/65/40/67/1167654067.db2.gz UOZMXTUAGARIBT-UHFFFAOYSA-N -2 3 316.321 0.197 20 0 DCADHL O=C([O-])[C@@H]1COCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593276510 1167751537 /nfs/dbraw/zinc/75/15/37/1167751537.db2.gz MDRSLHJMBKNUNS-VIFPVBQESA-N -2 3 311.248 0.435 20 0 DCADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001593275269 1167752987 /nfs/dbraw/zinc/75/29/87/1167752987.db2.gz CVTQVFGZBJXASN-BXKDBHETSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001593275269 1167752991 /nfs/dbraw/zinc/75/29/91/1167752991.db2.gz CVTQVFGZBJXASN-BXKDBHETSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@@H]1CN(c2cnccc2-c2nnn[n-]2)C[C@H]1C1CC1 ZINC001593279425 1167755346 /nfs/dbraw/zinc/75/53/46/1167755346.db2.gz KTJVLLJHMNSQTH-WDEREUQCSA-N -2 3 300.322 0.809 20 0 DCADHL O=C([O-])[C@@H]1CN(c2cnccc2-c2nn[n-]n2)C[C@H]1C1CC1 ZINC001593279425 1167755348 /nfs/dbraw/zinc/75/53/48/1167755348.db2.gz KTJVLLJHMNSQTH-WDEREUQCSA-N -2 3 300.322 0.809 20 0 DCADHL O=c1cc([C@@H]2CCOC2)[n-]n1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593382442 1167794077 /nfs/dbraw/zinc/79/40/77/1167794077.db2.gz ATOIYIGFIVAPRR-GFCCVEGCSA-N -2 3 312.333 0.992 20 0 DCADHL NS(=O)(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1[O-] ZINC001598161314 1168017778 /nfs/dbraw/zinc/01/77/78/1168017778.db2.gz VIXPLKWESOFMPX-UHFFFAOYSA-N -2 3 308.315 0.998 20 0 DCADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC001600353521 1168172476 /nfs/dbraw/zinc/17/24/76/1168172476.db2.gz AAIDJIRVYKCOMT-MRVPVSSYSA-N -2 3 318.289 0.995 20 0 DCADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC001600353521 1168172478 /nfs/dbraw/zinc/17/24/78/1168172478.db2.gz AAIDJIRVYKCOMT-MRVPVSSYSA-N -2 3 318.289 0.995 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCOC2)c1C(=O)[O-] ZINC001600673131 1168242157 /nfs/dbraw/zinc/24/21/57/1168242157.db2.gz NZIVTNNXLROMLJ-CBAPKCEASA-N -2 3 317.367 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC=Cc2cccnc2)c1C(=O)[O-] ZINC001600674235 1168243732 /nfs/dbraw/zinc/24/37/32/1168243732.db2.gz QWKDWFCOWBUKJV-HYXAFXHYSA-N -2 3 322.346 0.803 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@H]1C(=O)[O-] ZINC001600891542 1168496178 /nfs/dbraw/zinc/49/61/78/1168496178.db2.gz WPAGMTJOQZSZKO-SNVBAGLBSA-N -2 3 316.317 0.850 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC001600994899 1168552708 /nfs/dbraw/zinc/55/27/08/1168552708.db2.gz BDSKXBVGFBTFEH-NSHDSACASA-N -2 3 324.362 0.700 20 0 DCADHL O=C([O-])c1cncnc1NCCNC(=O)c1ccc([O-])cc1 ZINC001601504280 1168767580 /nfs/dbraw/zinc/76/75/80/1168767580.db2.gz JCWWPGIZQMZWRU-UHFFFAOYSA-N -2 3 302.290 0.722 20 0 DCADHL O=C([O-])[C@@H](O)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001601523733 1168774091 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CSc1ncc(C(=O)NCCc2c(C)[n-][nH]c2=O)c(=O)[n-]1 ZINC001191436613 772768633 /nfs/dbraw/zinc/76/86/33/772768633.db2.gz DZRRGGRUWMPLFL-UHFFFAOYSA-N -2 3 309.351 0.614 20 0 DCADHL COC(=O)c1ccc([O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC001192399950 772919017 /nfs/dbraw/zinc/91/90/17/772919017.db2.gz LPRDZRWXVGLHIM-UHFFFAOYSA-N -2 3 319.317 0.888 20 0 DCADHL CCOc1c(C(=O)NCCCCP(=O)([O-])[O-])cnn1C ZINC001194377865 773183787 /nfs/dbraw/zinc/18/37/87/773183787.db2.gz AOBWNOMAGOCWMV-UHFFFAOYSA-N -2 3 305.271 0.507 20 0 DCADHL COc1ncccc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001194737232 773238841 /nfs/dbraw/zinc/23/88/41/773238841.db2.gz QVYQMHIXTDHGFA-UHFFFAOYSA-N -2 3 324.295 0.326 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)c1cccc2nccnc21 ZINC001194996215 773303564 /nfs/dbraw/zinc/30/35/64/773303564.db2.gz OLZRNDAUGNPPIL-UHFFFAOYSA-N -2 3 317.263 0.086 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)c(F)cc1F ZINC001195247119 773355562 /nfs/dbraw/zinc/35/55/62/773355562.db2.gz NSKGBFXGIYJITD-KNVOCYPGSA-N -2 3 321.301 0.712 20 0 DCADHL O=C1C[C@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)CO1 ZINC001227593137 775987374 /nfs/dbraw/zinc/98/73/74/775987374.db2.gz CCJAIPIACWAKSO-VKHMYHEASA-N -2 3 315.083 0.515 20 0 DCADHL CCOC(=O)c1c(O)cc([O-])cc1OC(=O)[C@H](O)CC(=O)[O-] ZINC001229743648 776222687 /nfs/dbraw/zinc/22/26/87/776222687.db2.gz CPABOYJAUUWFLN-MRVPVSSYSA-N -2 3 314.246 0.016 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]Cc2snnc2C)oc1C(=O)[O-] ZINC001600300270 1168162211 /nfs/dbraw/zinc/16/22/11/1168162211.db2.gz GOJRHAXCGLUYDE-UHFFFAOYSA-N -2 3 317.348 0.925 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c1C(=O)[O-] ZINC001600673691 1168242096 /nfs/dbraw/zinc/24/20/96/1168242096.db2.gz UHKIDDFGEXHITL-ZETCQYMHSA-N -2 3 310.335 0.851 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H](CCO)c1ccco1 ZINC001602489187 1169091344 /nfs/dbraw/zinc/09/13/44/1169091344.db2.gz VKYWKLWCGGBVPJ-VIFPVBQESA-N -2 3 315.303 0.973 20 0 DCADHL C[C@H]1CCCc2ncc(C(=O)NCc3nc([O-])cc(=O)[n-]3)n21 ZINC001413338324 942905034 /nfs/dbraw/zinc/90/50/34/942905034.db2.gz DVWDOPQUVIVHCS-QMMMGPOBSA-N -2 3 303.322 0.912 20 0 DCADHL CC(C)[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000388216878 944630777 /nfs/dbraw/zinc/63/07/77/944630777.db2.gz QQIGZPQUAKMWGX-LLVKDONJSA-N -2 3 303.322 0.953 20 0 DCADHL CC(C)[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000388216878 944630789 /nfs/dbraw/zinc/63/07/89/944630789.db2.gz QQIGZPQUAKMWGX-LLVKDONJSA-N -2 3 303.322 0.953 20 0 DCADHL NS(=O)(=O)c1ccc2nc(-c3c([O-])nc[nH]c3=O)[n-]c2c1 ZINC001250874732 945687226 /nfs/dbraw/zinc/68/72/26/945687226.db2.gz OSPXHFXOZSTOOM-UHFFFAOYSA-N -2 3 307.291 0.079 20 0 DCADHL NS(=O)(=O)c1ccc2[n-]c(-c3c([O-])nc[nH]c3=O)nc2c1 ZINC001250874732 945687232 /nfs/dbraw/zinc/68/72/32/945687232.db2.gz OSPXHFXOZSTOOM-UHFFFAOYSA-N -2 3 307.291 0.079 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]N=c2[n-]ncc(N)c2Cl)cn1C ZINC001253087220 946056867 /nfs/dbraw/zinc/05/68/67/946056867.db2.gz VPEOWZXLIDEYPG-UHFFFAOYSA-N -2 3 317.762 0.060 20 0 DCADHL COc1ccccc1S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001259303648 946942008 /nfs/dbraw/zinc/94/20/08/946942008.db2.gz ZXIWAQQANBVOBL-UHFFFAOYSA-N -2 3 323.307 0.931 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC001594500904 955320492 /nfs/dbraw/zinc/32/04/92/955320492.db2.gz BSTKXTOWFMSBQW-UHFFFAOYSA-N -2 3 304.324 0.143 20 0 DCADHL Cc1noc(C[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000386928408 972091959 /nfs/dbraw/zinc/09/19/59/972091959.db2.gz NUEKREIGCONBIY-QPJJXVBHSA-N -2 3 323.330 0.954 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)n1 ZINC001300200806 955935190 /nfs/dbraw/zinc/93/51/90/955935190.db2.gz DQFGWRSTSOASSM-UHFFFAOYSA-N -2 3 301.262 0.662 20 0 DCADHL CO[C@@H](CS(=O)(=O)[N-]c1cncc(C(=O)[O-])c1)C1CC1 ZINC001593941432 956277425 /nfs/dbraw/zinc/27/74/25/956277425.db2.gz JEQSEGAMQUMXPX-NSHDSACASA-N -2 3 300.336 0.947 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001589192642 956600894 /nfs/dbraw/zinc/60/08/94/956600894.db2.gz LSCDRXAMWUMYAH-SNVBAGLBSA-N -2 3 321.259 0.830 20 0 DCADHL O=C([O-])C[C@@H](NCc1cccnc1Br)C(=O)[O-] ZINC001331997437 957745738 /nfs/dbraw/zinc/74/57/38/957745738.db2.gz CXVYXDSBARZVDO-SSDOTTSWSA-N -2 3 303.112 0.862 20 0 DCADHL Cc1cc(C(=O)N2CCN(C)[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001362295583 959089602 /nfs/dbraw/zinc/08/96/02/959089602.db2.gz YKOFXZDGOPWTBV-SECBINFHSA-N -2 3 317.349 0.521 20 0 DCADHL CSc1ncc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(=O)[n-]1 ZINC001362303752 959104571 /nfs/dbraw/zinc/10/45/71/959104571.db2.gz XBLSQKCJFYQXKL-ZCFIWIBFSA-N -2 3 309.355 0.293 20 0 DCADHL CSc1ncc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c(=O)[n-]1 ZINC001362303752 959104564 /nfs/dbraw/zinc/10/45/64/959104564.db2.gz XBLSQKCJFYQXKL-ZCFIWIBFSA-N -2 3 309.355 0.293 20 0 DCADHL CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000228236966 960007155 /nfs/dbraw/zinc/00/71/55/960007155.db2.gz UNUXCLFERYHDQP-HTRCEHHLSA-N -2 3 309.365 0.369 20 0 DCADHL C[C@@H]1C[C@H](C(=O)N2CCCc3c(=O)[n-]cnc32)O[C@H]1C(=O)[O-] ZINC001571096397 961170265 /nfs/dbraw/zinc/17/02/65/961170265.db2.gz OGZZOMYPCNXEMW-SZEHBUNVSA-N -2 3 307.306 0.340 20 0 DCADHL CC[C@H](COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC001595176762 979770296 /nfs/dbraw/zinc/77/02/96/979770296.db2.gz GTXGAYGLLVNPEO-RKDXNWHRSA-N -2 3 309.384 0.604 20 0 DCADHL CC[C@]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)(C(N)=O)C(C)C ZINC001595310120 980466274 /nfs/dbraw/zinc/46/62/74/980466274.db2.gz AWKDFIQXPBHZAC-GFCCVEGCSA-N -2 3 318.351 0.546 20 0 DCADHL O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001574351784 983223259 /nfs/dbraw/zinc/22/32/59/983223259.db2.gz KYGPYGCVRBKLNB-SNVBAGLBSA-N -2 3 302.294 0.341 20 0 DCADHL O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001574351784 983223263 /nfs/dbraw/zinc/22/32/63/983223263.db2.gz KYGPYGCVRBKLNB-SNVBAGLBSA-N -2 3 302.294 0.341 20 0 DCADHL CCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)OC ZINC001596024446 983286464 /nfs/dbraw/zinc/28/64/64/983286464.db2.gz LYLWGARJSXROFD-LURJTMIESA-N -2 3 322.364 0.461 20 0 DCADHL CCOC(=O)C(C)(C)O[N-]C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001596516926 984300987 /nfs/dbraw/zinc/30/09/87/984300987.db2.gz RICWGXKYGWVWNK-UHFFFAOYSA-N -2 3 314.298 0.513 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC001589199545 985634857 /nfs/dbraw/zinc/63/48/57/985634857.db2.gz QRFVTXDZWVNZNE-UHFFFAOYSA-N -2 3 322.317 0.402 20 0 DCADHL CC(=O)c1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1[O-] ZINC001589274042 985980727 /nfs/dbraw/zinc/98/07/27/985980727.db2.gz XKQKBNLLMNAJJR-CQSZACIVSA-N -2 3 321.329 0.893 20 0 DCADHL C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001594604176 986555426 /nfs/dbraw/zinc/55/54/26/986555426.db2.gz OBZYDIAMLAWNMI-HTQZYQBOSA-N -2 3 320.392 0.792 20 0 DCADHL CCc1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1[O-] ZINC001597570602 988347612 /nfs/dbraw/zinc/34/76/12/988347612.db2.gz RKDXYPMYEGQLDL-LLVKDONJSA-N -2 3 306.318 0.322 20 0 DCADHL CNC(=O)c1n[n-]nc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001598662179 994614482 /nfs/dbraw/zinc/61/44/82/994614482.db2.gz VDUFTKXLAHBRSJ-QMMMGPOBSA-N -2 3 324.341 0.319 20 0 DCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCF)C(=O)[O-])c(C)o1 ZINC001598673029 994790261 /nfs/dbraw/zinc/79/02/61/994790261.db2.gz CYMIEWACHICIHD-QMMMGPOBSA-N -2 3 322.314 0.039 20 0 DCADHL COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001598729760 995546362 /nfs/dbraw/zinc/54/63/62/995546362.db2.gz OVFXWSDXKYGNTA-VIFPVBQESA-N -2 3 315.303 0.518 20 0 DCADHL COC1(OC)CCCC[C@@H]1[N-]S(=O)(=O)CC1(C(=O)[O-])CC1 ZINC001599094906 997261852 /nfs/dbraw/zinc/26/18/52/997261852.db2.gz NIHFHFWYFYRLCO-JTQLQIEISA-N -2 3 321.395 0.702 20 0 DCADHL COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001598908938 997322506 /nfs/dbraw/zinc/32/25/06/997322506.db2.gz IUJLVOARXKDXFG-LJGSYFOKSA-N -2 3 303.292 0.208 20 0 DCADHL CC1(C[N-]S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])OCCO1 ZINC001594027008 997566640 /nfs/dbraw/zinc/56/66/40/997566640.db2.gz ASKFEFYACMQHFD-UWVGGRQHSA-N -2 3 307.368 0.312 20 0 DCADHL C[C@]1([N-]S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCOC1=O ZINC001594061957 997857086 /nfs/dbraw/zinc/85/70/86/997857086.db2.gz QIJFNQCEQHNZJA-LNLATYFQSA-N -2 3 305.352 0.255 20 0 DCADHL COCC(COC)[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599166363 998548476 /nfs/dbraw/zinc/54/84/76/998548476.db2.gz NMPQBOPCFKCOEC-UHFFFAOYSA-N -2 3 323.411 0.602 20 0 DCADHL COCOCCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599273750 998580852 /nfs/dbraw/zinc/58/08/52/998580852.db2.gz ZGVSIUFPVVFKRI-UHFFFAOYSA-N -2 3 307.324 0.575 20 0 DCADHL C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)C1 ZINC001594238542 998907626 /nfs/dbraw/zinc/90/76/26/998907626.db2.gz OUJALSXBWLSNHE-IUCAKERBSA-N -2 3 316.383 0.753 20 0 DCADHL COc1cnc([C@@H]2CCCN2C(=O)c2n[nH]c(C)c2[O-])[n-]c1=O ZINC001456847803 1011489238 /nfs/dbraw/zinc/48/92/38/1011489238.db2.gz MAUNIMPNISKLPJ-QMMMGPOBSA-N -2 3 319.321 0.905 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCCn2ccnn2)oc1C(=O)[O-] ZINC001607707154 1170498827 /nfs/dbraw/zinc/49/88/27/1170498827.db2.gz CVRLEZQROWMTQF-UHFFFAOYSA-N -2 3 314.323 0.246 20 0 DCADHL O=C(Cc1ccc([O-])cc1Cl)NCCCc1nc(=O)[n-][nH]1 ZINC000155654633 237042896 /nfs/dbraw/zinc/04/28/96/237042896.db2.gz FAARSVDBADJSQT-UHFFFAOYSA-N -2 3 310.741 0.749 20 0 DCADHL CCSCC[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000159929324 291236904 /nfs/dbraw/zinc/23/69/04/291236904.db2.gz HZSUQFSSSSKARY-SSDOTTSWSA-N -2 3 307.397 0.918 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c1 ZINC000566174114 291277207 /nfs/dbraw/zinc/27/72/07/291277207.db2.gz QLSOLGKGWQGYBS-JTQLQIEISA-N -2 3 319.335 0.452 20 0 DCADHL CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1(C)C ZINC000567349315 291349927 /nfs/dbraw/zinc/34/99/27/291349927.db2.gz GWZAXKIRVJPTGW-QPUJVOFHSA-N -2 3 317.367 0.590 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]C[C@@](C)(O)C(C)C)cc1C(=O)[O-] ZINC000567797556 291378499 /nfs/dbraw/zinc/37/84/99/291378499.db2.gz SZVVBUIPDYEEAY-GFCCVEGCSA-N -2 3 305.352 0.972 20 0 DCADHL COCC[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000275156232 212157094 /nfs/dbraw/zinc/15/70/94/212157094.db2.gz ZIQLTJVWHBGHIJ-MRVPVSSYSA-N -2 3 308.381 0.528 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000274982436 212056282 /nfs/dbraw/zinc/05/62/82/212056282.db2.gz LUDWWRCJIXXQAN-VIFPVBQESA-N -2 3 303.384 0.835 20 0 DCADHL O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000274882369 212006031 /nfs/dbraw/zinc/00/60/31/212006031.db2.gz DFAVOKHLOMMKNP-LURJTMIESA-N -2 3 315.134 0.112 20 0 DCADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n[nH]1 ZINC000285610911 131186635 /nfs/dbraw/zinc/18/66/35/131186635.db2.gz WMLUWGLDSBDGLC-YFKPBYRVSA-N -2 3 314.323 0.752 20 0 DCADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)n1 ZINC000289350470 131376725 /nfs/dbraw/zinc/37/67/25/131376725.db2.gz GDGYACXWCUXREV-NXEZZACHSA-N -2 3 304.354 0.843 20 0 DCADHL 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ZINC000547938529 288094292 /nfs/dbraw/zinc/09/42/92/288094292.db2.gz ANMOTTPUKTYMNI-LBPRGKRZSA-N -2 3 323.374 0.957 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(Cl)cc1F ZINC000548202556 288120345 /nfs/dbraw/zinc/12/03/45/288120345.db2.gz DXXUUGPCBQNTES-MRVPVSSYSA-N -2 3 311.718 0.511 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000548223240 288122565 /nfs/dbraw/zinc/12/25/65/288122565.db2.gz MKELJGLXYBFVTA-QMMMGPOBSA-N -2 3 313.253 0.482 20 0 DCADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cn(C)cn2)(CC(=O)[O-])C1 ZINC000548549548 288153127 /nfs/dbraw/zinc/15/31/27/288153127.db2.gz RDGJSCAENMDTLH-GWCFXTLKSA-N -2 3 315.395 0.980 20 0 DCADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-])c1 ZINC000548551812 288153530 /nfs/dbraw/zinc/15/35/30/288153530.db2.gz OUZUTFDPBAFQRD-SECBINFHSA-N -2 3 323.754 0.727 20 0 DCADHL COCCOCCS(=O)(=O)[N-]c1cccc(C(C)=O)c1[O-] ZINC000555881146 288364766 /nfs/dbraw/zinc/36/47/66/288364766.db2.gz ZYSNHTJZDUPWPP-UHFFFAOYSA-N -2 3 317.363 1.000 20 0 DCADHL C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000557082978 288408260 /nfs/dbraw/zinc/40/82/60/288408260.db2.gz WSKUHKUHMPFYCQ-BDAKNGLRSA-N -2 3 301.368 0.779 20 0 DCADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c1 ZINC000085855094 301609314 /nfs/dbraw/zinc/60/93/14/301609314.db2.gz SGPMTIPSVYAKGK-LBPRGKRZSA-N -2 3 303.311 0.656 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)cn1C ZINC000399747571 331484893 /nfs/dbraw/zinc/48/48/93/331484893.db2.gz SCVSHQXSRIVZFY-KWQFWETISA-N -2 3 303.384 0.752 20 0 DCADHL C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000582060435 333194182 /nfs/dbraw/zinc/19/41/82/333194182.db2.gz IXGUFCHYNWCTNJ-YUMQZZPRSA-N -2 3 303.340 0.344 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cn1 ZINC000388557414 333356732 /nfs/dbraw/zinc/35/67/32/333356732.db2.gz ZMCGYHGAGLXYOZ-ZCFIWIBFSA-N -2 3 301.246 0.104 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000134726209 545801964 /nfs/dbraw/zinc/80/19/64/545801964.db2.gz GXKSYJHTQNZIMK-QYNIQEEDSA-N -2 3 304.349 0.440 20 0 DCADHL COCCN(CC(=O)[O-])C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000315039877 546026295 /nfs/dbraw/zinc/02/62/95/546026295.db2.gz XYYAULKIUCJYRJ-UHFFFAOYSA-N -2 3 311.338 0.291 20 0 DCADHL NS(=O)(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000351853917 546167924 /nfs/dbraw/zinc/16/79/24/546167924.db2.gz PMXSMDHTYPZRKT-UHFFFAOYSA-N -2 3 317.326 0.943 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000681557215 548263628 /nfs/dbraw/zinc/26/36/28/548263628.db2.gz HRGQZHHCWXPUNW-QMMMGPOBSA-N -2 3 315.376 0.976 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)cn1C ZINC000685209855 548694184 /nfs/dbraw/zinc/69/41/84/548694184.db2.gz SPNLKZGMYADXCY-SSDOTTSWSA-N -2 3 311.310 0.363 20 0 DCADHL CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735481627 598415881 /nfs/dbraw/zinc/41/58/81/598415881.db2.gz IYSJSWGSDFOEGJ-UHFFFAOYSA-N -2 3 301.715 0.345 20 0 DCADHL CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735481627 598415883 /nfs/dbraw/zinc/41/58/83/598415883.db2.gz IYSJSWGSDFOEGJ-UHFFFAOYSA-N -2 3 301.715 0.345 20 0 DCADHL O=C(CC1CCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822941333 599621064 /nfs/dbraw/zinc/62/10/64/599621064.db2.gz UZPOUGCYGVAHNH-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C(CC1CCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822941333 599621065 /nfs/dbraw/zinc/62/10/65/599621065.db2.gz UZPOUGCYGVAHNH-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C ZINC000035346589 599765431 /nfs/dbraw/zinc/76/54/31/599765431.db2.gz IRPRSQDUUTXFQP-VIFPVBQESA-N -2 3 305.308 0.454 20 0 DCADHL O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000319799880 599779409 /nfs/dbraw/zinc/77/94/09/599779409.db2.gz IYGFZTZKLGYYKM-MRVPVSSYSA-N -2 3 317.301 0.899 20 0 DCADHL O=C([O-])CCN(Cc1cc(=O)n2[n-]ccc2n1)C[C@@H]1CCCO1 ZINC000739724658 600513844 /nfs/dbraw/zinc/51/38/44/600513844.db2.gz PGBRGPXURYEAPV-LBPRGKRZSA-N -2 3 320.349 0.478 20 0 DCADHL O=S(=O)(CCc1ccccc1)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826485459 607462674 /nfs/dbraw/zinc/46/26/74/607462674.db2.gz RHYCNBCCGZNNCB-UHFFFAOYSA-N -2 3 319.350 0.574 20 0 DCADHL O=S(=O)(CCc1ccccc1)[N-]c1n[nH]cc1-c1nn[n-]n1 ZINC000826485459 607462676 /nfs/dbraw/zinc/46/26/76/607462676.db2.gz RHYCNBCCGZNNCB-UHFFFAOYSA-N -2 3 319.350 0.574 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)cc1C(=O)[O-] ZINC000833028109 601222603 /nfs/dbraw/zinc/22/26/03/601222603.db2.gz JICVKHXJGWSQDD-QMMMGPOBSA-N -2 3 316.335 0.185 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCOC2)cc1C(=O)[O-] ZINC000833027170 601223410 /nfs/dbraw/zinc/22/34/10/601223410.db2.gz DUZKUAGZSRQRSA-CBAPKCEASA-N -2 3 303.336 0.990 20 0 DCADHL CC(C)[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)OC(C)(C)C ZINC000827571776 602005284 /nfs/dbraw/zinc/00/52/84/602005284.db2.gz RLWZXFBBPFNUGE-VHSXEESVSA-N -2 3 323.411 0.993 20 0 DCADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[S@](C)=O ZINC000229786642 602227300 /nfs/dbraw/zinc/22/73/00/602227300.db2.gz HTXMVEBPSZKHGU-MDTSDYNXSA-N -2 3 309.365 0.413 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)c1C(=O)[O-] ZINC000832899992 602305535 /nfs/dbraw/zinc/30/55/35/602305535.db2.gz WHIFYCYIRYEZNW-UHFFFAOYSA-N -2 3 312.307 0.626 20 0 DCADHL CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736368887 602500257 /nfs/dbraw/zinc/50/02/57/602500257.db2.gz GBJLPVFNIPBIJH-NSHDSACASA-N -2 3 318.337 0.775 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1C ZINC000826271448 607664421 /nfs/dbraw/zinc/66/44/21/607664421.db2.gz ROQRXQANQNBAON-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1C ZINC000826271448 607664423 /nfs/dbraw/zinc/66/44/23/607664423.db2.gz ROQRXQANQNBAON-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000825262937 604258945 /nfs/dbraw/zinc/25/89/45/604258945.db2.gz DCZWAYXLKWLXOD-WDEREUQCSA-N -2 3 319.365 0.891 20 0 DCADHL CC1(C[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)OCCO1 ZINC000716794158 604549303 /nfs/dbraw/zinc/54/93/03/604549303.db2.gz UJRMGGAJNMXIFZ-UHFFFAOYSA-N -2 3 315.347 0.567 20 0 DCADHL CC(C)C(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833463526 604569404 /nfs/dbraw/zinc/56/94/04/604569404.db2.gz ODKCTLDJBKDQQJ-UHFFFAOYSA-N -2 3 318.351 0.418 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]CCN(C(=O)[O-])C2CC2)nc1Cl ZINC000831014768 605183248 /nfs/dbraw/zinc/18/32/48/605183248.db2.gz ZOAHWJYVBRIDCZ-UHFFFAOYSA-N -2 3 322.774 0.494 20 0 DCADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)o1 ZINC000833762253 605208659 /nfs/dbraw/zinc/20/86/59/605208659.db2.gz HOSISWXFXNQHSY-UHFFFAOYSA-N -2 3 314.275 0.148 20 0 DCADHL CC(C)(CC(=O)[O-])CC(=O)Nc1n[n-]c(SCCO)n1 ZINC000833456109 605717733 /nfs/dbraw/zinc/71/77/33/605717733.db2.gz DOPYEBHYYFWUJD-UHFFFAOYSA-N -2 3 302.356 0.719 20 0 DCADHL C[C@@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820259703 607109696 /nfs/dbraw/zinc/10/96/96/607109696.db2.gz BEPGZOJPIDQJLG-QMMMGPOBSA-N -2 3 305.294 0.082 20 0 DCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826327423 608107967 /nfs/dbraw/zinc/10/79/67/608107967.db2.gz HARPANCZXYNZHH-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826327423 608107968 /nfs/dbraw/zinc/10/79/68/608107968.db2.gz HARPANCZXYNZHH-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL O=c1[n-]c(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n[nH]1 ZINC000826501944 608389933 /nfs/dbraw/zinc/38/99/33/608389933.db2.gz NJNWAIMZLQEHQF-UHFFFAOYSA-N -2 3 312.337 0.855 20 0 DCADHL O=C([N-]OCC(F)(F)F)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449960 609252198 /nfs/dbraw/zinc/25/21/98/609252198.db2.gz QTVOFLCHYLSKQX-QMMMGPOBSA-N -2 3 317.227 0.510 20 0 DCADHL O=C([N-]OCC(F)(F)F)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449960 609252199 /nfs/dbraw/zinc/25/21/99/609252199.db2.gz QTVOFLCHYLSKQX-QMMMGPOBSA-N -2 3 317.227 0.510 20 0 DCADHL C[C@@H](CCC(=O)[O-])NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824402313 609258788 /nfs/dbraw/zinc/25/87/88/609258788.db2.gz VPMLYIZFWBQURV-VIFPVBQESA-N -2 3 319.321 0.615 20 0 DCADHL COCCc1ccc(S(=O)(=O)[N-][N-]C(=O)NC(C)C)cc1 ZINC000068784956 665443043 /nfs/dbraw/zinc/44/30/43/665443043.db2.gz DIWVFFOFYHZKPL-UHFFFAOYSA-N -2 3 315.395 0.776 20 0 DCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000070776638 665921272 /nfs/dbraw/zinc/92/12/72/665921272.db2.gz NMTOZBFTDXRJAS-UHFFFAOYSA-N -3 3 315.351 0.596 20 0 DCADHL Cc1n[nH]c(C(=O)NC2CN(C(=O)c3ccccc3[O-])C2)c1[O-] ZINC000990866171 663299747 /nfs/dbraw/zinc/29/97/47/663299747.db2.gz VCFPSUIMKBUDTE-UHFFFAOYSA-N -2 3 316.317 0.384 20 0 DCADHL COc1cc(F)ccc1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC000905999668 663594718 /nfs/dbraw/zinc/59/47/18/663594718.db2.gz NMLAGJWCGSIACS-UHFFFAOYSA-N -2 3 313.253 0.833 20 0 DCADHL COCCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000748859710 667941301 /nfs/dbraw/zinc/94/13/01/667941301.db2.gz NZIBAYRHHHQQBH-GFCCVEGCSA-N -2 3 308.334 0.691 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)nc1Cl ZINC000776584539 668878390 /nfs/dbraw/zinc/87/83/90/668878390.db2.gz UYIPPYHMBITKFM-UHFFFAOYSA-N -2 3 321.786 0.997 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])nc1Cl ZINC000776633510 668879556 /nfs/dbraw/zinc/87/95/56/668879556.db2.gz FRPVLWKZLMVPJY-HQJQHLMTSA-N -2 3 321.786 0.995 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])s1 ZINC000788448006 668912280 /nfs/dbraw/zinc/91/22/80/668912280.db2.gz URYZWNYDLPWTIF-NSCUHMNNSA-N -2 3 305.333 0.454 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000831038941 671651487 /nfs/dbraw/zinc/65/14/87/671651487.db2.gz NPWTZBKGPMYZQX-RITPCOANSA-N -2 3 321.259 0.876 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC001609005537 1159813915 /nfs/dbraw/zinc/81/39/15/1159813915.db2.gz ROQGKTIIRQAYJP-YUMQZZPRSA-N -2 3 320.392 0.671 20 0 DCADHL CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573675560 1163533283 /nfs/dbraw/zinc/53/32/83/1163533283.db2.gz YVOKMTHKUSGQQO-HTQZYQBOSA-N -2 3 305.356 0.183 20 0 DCADHL COC(=O)c1ccc(C(=O)Nc2cc(C)nn2CC(=O)[O-])[n-]1 ZINC001573940533 1163593691 /nfs/dbraw/zinc/59/36/91/1163593691.db2.gz FEVRZGQOYYBFLV-UHFFFAOYSA-N -2 3 306.278 0.643 20 0 DCADHL CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001573948005 1163597019 /nfs/dbraw/zinc/59/70/19/1163597019.db2.gz GJJDENIQYPXBOE-KRTXAFLBSA-N -2 3 317.367 0.590 20 0 DCADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ncc[n-]1 ZINC001579251233 1165252326 /nfs/dbraw/zinc/25/23/26/1165252326.db2.gz FMVKXMZORIXQPL-UHFFFAOYSA-N -2 3 319.350 0.411 20 0 DCADHL O=c1[n-]c(C2CC2)nc2c1CN(c1ccnc(-c3nnn[n-]3)n1)C2 ZINC001582815864 1166097283 /nfs/dbraw/zinc/09/72/83/1166097283.db2.gz CGNBFUFZKSMAAE-UHFFFAOYSA-N -2 3 323.320 0.550 20 0 DCADHL CC(C)(O)CO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001589339181 1166650548 /nfs/dbraw/zinc/65/05/48/1166650548.db2.gz UDLFESDZVATJCZ-UHFFFAOYSA-N -2 3 306.326 0.097 20 0 DCADHL C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001589937528 1166723636 /nfs/dbraw/zinc/72/36/36/1166723636.db2.gz GDWZBTUYARUPLY-ONOSFVFSSA-N -2 3 301.306 0.765 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590015731 1166752402 /nfs/dbraw/zinc/75/24/02/1166752402.db2.gz KROQJKLLDZTVNR-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590015731 1166752410 /nfs/dbraw/zinc/75/24/10/1166752410.db2.gz KROQJKLLDZTVNR-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001590069066 1166764262 /nfs/dbraw/zinc/76/42/62/1166764262.db2.gz SLQSVRZJKUAUSN-CQSZACIVSA-N -2 3 316.321 0.193 20 0 DCADHL C[C@@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001590069066 1166764263 /nfs/dbraw/zinc/76/42/63/1166764263.db2.gz SLQSVRZJKUAUSN-CQSZACIVSA-N -2 3 316.321 0.193 20 0 DCADHL CC[C@@H](CS(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1)OC ZINC001590447022 1166908468 /nfs/dbraw/zinc/90/84/68/1166908468.db2.gz JSSSJBDIELAKAX-LURJTMIESA-N -2 3 318.384 0.490 20 0 DCADHL CCCN(CC(=O)[O-])C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590621177 1166952495 /nfs/dbraw/zinc/95/24/95/1166952495.db2.gz COXTVRPIKSZRKE-UHFFFAOYSA-N -2 3 303.322 0.732 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001590648998 1166959194 /nfs/dbraw/zinc/95/91/94/1166959194.db2.gz GEBKNYQCDRMQAX-UHFFFAOYSA-N -2 3 309.351 0.645 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001590648998 1166959200 /nfs/dbraw/zinc/95/92/00/1166959200.db2.gz GEBKNYQCDRMQAX-UHFFFAOYSA-N -2 3 309.351 0.645 20 0 DCADHL CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590786732 1167018281 /nfs/dbraw/zinc/01/82/81/1167018281.db2.gz QBEJDSRQJWFWQG-KPXOXKRLSA-N -2 3 303.322 0.948 20 0 DCADHL CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590786732 1167018289 /nfs/dbraw/zinc/01/82/89/1167018289.db2.gz QBEJDSRQJWFWQG-KPXOXKRLSA-N -2 3 303.322 0.948 20 0 DCADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591324488 1167216095 /nfs/dbraw/zinc/21/60/95/1167216095.db2.gz NTUPCEPCNZOHHO-SSDOTTSWSA-N -2 3 315.330 0.782 20 0 DCADHL CSc1nc(=O)n(Cc2ccc(C)c(-c3nn[n-]n3)c2)[n-]1 ZINC001591720594 1167361310 /nfs/dbraw/zinc/36/13/10/1167361310.db2.gz BCXMGIHKTFVYHF-UHFFFAOYSA-N -2 3 303.351 0.830 20 0 DCADHL Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1 ZINC001591890831 1167414161 /nfs/dbraw/zinc/41/41/61/1167414161.db2.gz SBYLFEBWPCZZEB-YMTOWFKASA-N -2 3 316.321 0.108 20 0 DCADHL Cc1nsc(NC(=O)NCC2(C(=O)[O-])CC2)c1-c1nnn[n-]1 ZINC001592481681 1167538278 /nfs/dbraw/zinc/53/82/78/1167538278.db2.gz SURVZMXUGFAUTH-UHFFFAOYSA-N -2 3 323.338 0.618 20 0 DCADHL Nc1nc(NC2CCC(C(=O)[O-])CC2)ccc1-c1nn[n-]n1 ZINC001592764486 1167639007 /nfs/dbraw/zinc/63/90/07/1167639007.db2.gz WZIPBHFGJRSPLE-UHFFFAOYSA-N -2 3 303.326 0.899 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001593279131 1167754784 /nfs/dbraw/zinc/75/47/84/1167754784.db2.gz RUOUKDZZLLOPQL-OCAPTIKFSA-N -2 3 323.334 0.008 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001593279131 1167754793 /nfs/dbraw/zinc/75/47/93/1167754793.db2.gz RUOUKDZZLLOPQL-OCAPTIKFSA-N -2 3 323.334 0.008 20 0 DCADHL O=C([O-])[C@@H](Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593279292 1167755959 /nfs/dbraw/zinc/75/59/59/1167755959.db2.gz CQWOXRYNKANKQF-SNVBAGLBSA-N -2 3 311.305 0.765 20 0 DCADHL O=S(=O)(CCOCC1CC1)[N-]c1ncccc1-c1nn[n-]n1 ZINC001593420567 1167833102 /nfs/dbraw/zinc/83/31/02/1167833102.db2.gz MBULLXMJGATDIW-UHFFFAOYSA-N -2 3 324.366 0.430 20 0 DCADHL O=S(=O)([N-]c1cncc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593446008 1167846414 /nfs/dbraw/zinc/84/64/14/1167846414.db2.gz RMBJXDHDIYKSAF-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL Cc1cnc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c([O-])c1 ZINC001600616337 1168215450 /nfs/dbraw/zinc/21/54/50/1168215450.db2.gz TYDLBFSIUIDSQH-NSHDSACASA-N -2 3 307.350 0.717 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)c2ccccn2)c1C(=O)[O-] ZINC001600675028 1168243555 /nfs/dbraw/zinc/24/35/55/1168243555.db2.gz YPRNQSBKOMMPGM-ZETCQYMHSA-N -2 3 310.335 0.851 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)c2cccnc2)c1C(=O)[O-] ZINC001600673690 1168244904 /nfs/dbraw/zinc/24/49/04/1168244904.db2.gz UHKIDDFGEXHITL-SSDOTTSWSA-N -2 3 310.335 0.851 20 0 DCADHL Cc1ncc(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])o1 ZINC001600736658 1168267312 /nfs/dbraw/zinc/26/73/12/1168267312.db2.gz BXKODUWMTLYGAT-UHFFFAOYSA-N -2 3 300.296 0.191 20 0 DCADHL NCC(F)(F)C[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001601183939 1168629552 /nfs/dbraw/zinc/62/95/52/1168629552.db2.gz ZODKOANQCIUZJM-UHFFFAOYSA-N -2 3 312.269 0.396 20 0 DCADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C2 ZINC001601322671 1168709610 /nfs/dbraw/zinc/70/96/10/1168709610.db2.gz YDPFDPDPRLCPQC-GDLVEWKHSA-N -2 3 318.329 0.492 20 0 DCADHL O=C([O-])[C@@H](Cn1ccnc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001601360523 1168718651 /nfs/dbraw/zinc/71/86/51/1168718651.db2.gz FIROLCZOIBMIGG-LLVKDONJSA-N -2 3 307.281 0.540 20 0 DCADHL O=C([O-])[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccnc1F ZINC001601642724 1168799458 /nfs/dbraw/zinc/79/94/58/1168799458.db2.gz SYNMCKUWJKMBIA-IUCAKERBSA-N -2 3 318.326 0.521 20 0 DCADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cccnc2Cl)CCOC1 ZINC001601710727 1168822803 /nfs/dbraw/zinc/82/28/03/1168822803.db2.gz FHXZJSOZHWJRRQ-NSHDSACASA-N -2 3 320.754 0.505 20 0 DCADHL O=C([O-])CC1CC(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001601945733 1168944008 /nfs/dbraw/zinc/94/40/08/1168944008.db2.gz WEYIJNDVIIKHOE-UHFFFAOYSA-N -2 3 302.286 0.553 20 0 DCADHL O=C([O-])Cc1sccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001602157213 1169005779 /nfs/dbraw/zinc/00/57/79/1169005779.db2.gz HBYYWBPXXCEXIB-UHFFFAOYSA-N -2 3 309.347 0.761 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1cncc(F)c1 ZINC001602487902 1169089720 /nfs/dbraw/zinc/08/97/20/1169089720.db2.gz ISUKDWSBPARMRE-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC[C@H]2CCOC2=O)c1 ZINC001602557057 1169116683 /nfs/dbraw/zinc/11/66/83/1169116683.db2.gz OZSRMYZIUUHRDQ-QMMMGPOBSA-N -2 3 317.319 0.599 20 0 DCADHL O=C([O-])C1(O)CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001602629341 1169134683 /nfs/dbraw/zinc/13/46/83/1169134683.db2.gz DJJGKAJVBZMPSD-UHFFFAOYSA-N -2 3 322.704 0.453 20 0 DCADHL O=C([O-])C1(C(=O)NCCCc2cc(=O)[nH][n-]2)CC2(CCC2)C1 ZINC001602633717 1169137213 /nfs/dbraw/zinc/13/72/13/1169137213.db2.gz MZEYEBNERHKUFB-UHFFFAOYSA-N -2 3 307.350 0.794 20 0 DCADHL CC(C)(C)OCCS(=O)(=O)[N-]Cc1nc(C(=O)[O-])co1 ZINC001603512329 1169317067 /nfs/dbraw/zinc/31/70/67/1169317067.db2.gz FQKXIWBZEKWZCI-UHFFFAOYSA-N -2 3 306.340 0.607 20 0 DCADHL CC1=NO[C@](C)(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001603826249 1169404032 /nfs/dbraw/zinc/40/40/32/1169404032.db2.gz IHUJQRNPPZVKNO-ZDUSSCGKSA-N -2 3 302.294 0.832 20 0 DCADHL CC1=NO[C@](C)(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001603826249 1169404036 /nfs/dbraw/zinc/40/40/36/1169404036.db2.gz IHUJQRNPPZVKNO-ZDUSSCGKSA-N -2 3 302.294 0.832 20 0 DCADHL CC(C)OC(=O)CCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603907719 1169429676 /nfs/dbraw/zinc/42/96/76/1169429676.db2.gz NFFTWBDVYWXIML-UHFFFAOYSA-N -2 3 319.335 0.988 20 0 DCADHL CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603995450 1169467400 /nfs/dbraw/zinc/46/74/00/1169467400.db2.gz NBJVEWCXYDAVPX-MRVPVSSYSA-N -2 3 309.351 0.718 20 0 DCADHL CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603995450 1169467407 /nfs/dbraw/zinc/46/74/07/1169467407.db2.gz NBJVEWCXYDAVPX-MRVPVSSYSA-N -2 3 309.351 0.718 20 0 DCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001604635223 1169638101 /nfs/dbraw/zinc/63/81/01/1169638101.db2.gz ZADQTXGGFWMBGY-WDSKDSINSA-N -2 3 321.259 0.828 20 0 DCADHL C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604850521 1169708231 /nfs/dbraw/zinc/70/82/31/1169708231.db2.gz DWLCVNWIQXZSBO-AIYRYJHASA-N -2 3 306.365 0.447 20 0 DCADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)[O-] ZINC001605041663 1169791734 /nfs/dbraw/zinc/79/17/34/1169791734.db2.gz QDRHGSMRTXXGHL-ZETCQYMHSA-N -3 3 305.308 0.675 20 0 DCADHL CCC(O)(CC)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001605108781 1169829614 /nfs/dbraw/zinc/82/96/14/1169829614.db2.gz WKJUFYOLNDFLAR-UHFFFAOYSA-N -2 3 305.356 0.246 20 0 DCADHL COCCCO[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001605091290 1169818849 /nfs/dbraw/zinc/81/88/49/1169818849.db2.gz NTJDSXXIOQHRSR-UHFFFAOYSA-N -2 3 307.310 0.330 20 0 DCADHL CCc1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)c1[O-] ZINC001605825770 1170008593 /nfs/dbraw/zinc/00/85/93/1170008593.db2.gz FXJNIUWIZSALNW-NWDGAFQWSA-N -2 3 321.329 0.900 20 0 DCADHL Cc1[nH]nc([N-]S(=O)(=O)CC2(F)CC2)c1-c1nnn[n-]1 ZINC001606013587 1170049246 /nfs/dbraw/zinc/04/92/46/1170049246.db2.gz DHSCXXAQNCQBDR-UHFFFAOYSA-N -2 3 301.307 0.142 20 0 DCADHL CN1CCN(Cc2nc(=O)c3sccc3[n-]2)C[C@H](C(=O)[O-])C1 ZINC001606244509 1170133868 /nfs/dbraw/zinc/13/38/68/1170133868.db2.gz JWGXTLHDZQJLBK-SECBINFHSA-N -2 3 322.390 0.845 20 0 DCADHL CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606262072 1170139536 /nfs/dbraw/zinc/13/95/36/1170139536.db2.gz MNYAMYBGFROHEG-DTWKUNHWSA-N -2 3 316.335 0.171 20 0 DCADHL CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606284098 1170149722 /nfs/dbraw/zinc/14/97/22/1170149722.db2.gz UUCLYROEXJHJJC-VIFPVBQESA-N -2 3 318.351 0.417 20 0 DCADHL C[N-]S(=O)(=O)c1cc(C(=O)NOCCCC(=O)[O-])c(C)o1 ZINC001606303652 1170155729 /nfs/dbraw/zinc/15/57/29/1170155729.db2.gz QOKMCWJLICLHMA-UHFFFAOYSA-N -2 3 320.323 0.022 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C1CC1 ZINC001606681236 1170261381 /nfs/dbraw/zinc/26/13/81/1170261381.db2.gz ZWDDMGINJCMCAU-MRVPVSSYSA-N -2 3 303.340 0.120 20 0 DCADHL COCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001606852514 1170314481 /nfs/dbraw/zinc/31/44/81/1170314481.db2.gz LQRLQJVHYOGKAU-GFCCVEGCSA-N -2 3 321.351 0.352 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)cc1C(=O)[O-] ZINC001608057035 1170561410 /nfs/dbraw/zinc/56/14/10/1170561410.db2.gz KYAHHMJEAQLCMX-SECBINFHSA-N -3 3 305.308 0.674 20 0 DCADHL O=C([O-])CCCS(=O)(=O)[N-][C@@H]1CN(c2ccccc2)C1=O ZINC001608718252 1170742830 /nfs/dbraw/zinc/74/28/30/1170742830.db2.gz GFNVRKLNXAUTED-LLVKDONJSA-N -2 3 312.347 0.186 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCC2(CCC2)O1 ZINC001608965578 1170777372 /nfs/dbraw/zinc/77/73/72/1170777372.db2.gz ZRYJQNCQSWQZNT-MRVPVSSYSA-N -2 3 315.351 0.488 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H](CCO)c1ccco1 ZINC001608965290 1170777518 /nfs/dbraw/zinc/77/75/18/1170777518.db2.gz JEHNEXPZGANXGA-MRVPVSSYSA-N -2 3 315.307 0.103 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCC2)O1 ZINC001608965579 1170777902 /nfs/dbraw/zinc/77/79/02/1170777902.db2.gz ZRYJQNCQSWQZNT-QMMMGPOBSA-N -2 3 315.351 0.488 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1ncccc1F ZINC001609003805 1170784234 /nfs/dbraw/zinc/78/42/34/1170784234.db2.gz CYMRDXUBLQEDQA-UHFFFAOYSA-N -2 3 317.323 0.854 20 0 DCADHL CC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609150861 1170829517 /nfs/dbraw/zinc/82/95/17/1170829517.db2.gz WLJFKQDPAZYTRE-UHFFFAOYSA-N -2 3 307.335 0.479 20 0 DCADHL CC1(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609150861 1170829525 /nfs/dbraw/zinc/82/95/25/1170829525.db2.gz WLJFKQDPAZYTRE-UHFFFAOYSA-N -2 3 307.335 0.479 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1)C(F)F ZINC001609194987 1170860473 /nfs/dbraw/zinc/86/04/73/1170860473.db2.gz USRMXJPVTDZKTI-RXMQYKEDSA-N -2 3 307.282 0.782 20 0 DCADHL Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc(-c2nnn[n-]2)c1 ZINC001609406142 1170969530 /nfs/dbraw/zinc/96/95/30/1170969530.db2.gz MDYPJKHOGSPXEL-GHMZBOCLSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cc(-c2nn[n-]n2)c1 ZINC001609406142 1170969536 /nfs/dbraw/zinc/96/95/36/1170969536.db2.gz MDYPJKHOGSPXEL-GHMZBOCLSA-N -2 3 317.305 0.746 20 0 DCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(N)=O ZINC001609669329 1171062747 /nfs/dbraw/zinc/06/27/47/1171062747.db2.gz GXJSWMOCRGDKHS-ZCFIWIBFSA-N -2 3 321.380 0.020 20 0 DCADHL CCC[C@H](CCO)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609955159 1171127655 /nfs/dbraw/zinc/12/76/55/1171127655.db2.gz CATYRSCLAKKALQ-MRVPVSSYSA-N -2 3 322.408 0.918 20 0 DCADHL COC(=O)C1([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCC1 ZINC001610156311 1171181216 /nfs/dbraw/zinc/18/12/16/1171181216.db2.gz HODRWOUTQNPPHZ-VHSXEESVSA-N -2 3 319.379 0.645 20 0 DCADHL Cc1nnc(C[N-]S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC001610571465 1171257978 /nfs/dbraw/zinc/25/79/78/1171257978.db2.gz FNHYSKALZTVRFC-BDAKNGLRSA-N -2 3 319.408 0.909 20 0 DCADHL O=C([O-])[C@H](CC(F)F)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001610665534 1171287063 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O=P([O-])([O-])CCNC(=S)NCc1ccc2c(c1)OCO2 ZINC001200735520 774402373 /nfs/dbraw/zinc/40/23/73/774402373.db2.gz VWKJEIMJKAZKEO-UHFFFAOYSA-N -2 3 318.291 0.557 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)Cn2cccn2)oc1C(=O)[O-] ZINC001600297108 1168159509 /nfs/dbraw/zinc/15/95/09/1168159509.db2.gz KUEBGMIEGAXVJJ-VIFPVBQESA-N -2 3 313.335 0.850 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC2(O)CCOCC2)oc1C(=O)[O-] ZINC001600299732 1168161491 /nfs/dbraw/zinc/16/14/91/1168161491.db2.gz SLWHCYVSGHRBDO-UHFFFAOYSA-N -2 3 319.335 0.106 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001600855613 1168487025 /nfs/dbraw/zinc/48/70/25/1168487025.db2.gz RFHCVGCAQBBTKH-PHDIDXHHSA-N -3 3 305.308 0.674 20 0 DCADHL CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(=O)[O-] ZINC001596022987 983285715 /nfs/dbraw/zinc/28/57/15/983285715.db2.gz XSLYYBIMNZRCPX-ASCAZGACSA-N -2 3 314.429 0.970 20 0 DCADHL CC(F)(F)C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603595096 1169331504 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CN(Cc1n[n-]c(=O)o1)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001570921252 948617229 /nfs/dbraw/zinc/61/72/29/948617229.db2.gz SJDJYIKWADBDDB-JTQLQIEISA-N -2 3 317.309 0.121 20 0 DCADHL C[S@@](=O)C1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000380110697 971677449 /nfs/dbraw/zinc/67/74/49/971677449.db2.gz GQRHQMFKVYXJDF-GOSISDBHSA-N -2 3 324.405 0.031 20 0 DCADHL O=C([O-])CN1CC[C@@H](OC(=O)Cc2ccc([O-])c(F)c2)C1=O ZINC001595081127 951678922 /nfs/dbraw/zinc/67/89/22/951678922.db2.gz NAZHTOYAUGZVKG-LLVKDONJSA-N -2 3 311.265 0.303 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001412528933 952870819 /nfs/dbraw/zinc/87/08/19/952870819.db2.gz QZUAQIGAOYIOFN-GFCCVEGCSA-N -2 3 321.381 0.003 20 0 DCADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC001589268213 953383665 /nfs/dbraw/zinc/38/36/65/953383665.db2.gz DLQVAKBRRACPFQ-PWSUYJOCSA-N -2 3 320.345 0.691 20 0 DCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC001589268211 953383742 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O=C(c1c(F)ccc([O-])c1F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001362058466 958666966 /nfs/dbraw/zinc/66/69/66/958666966.db2.gz BQMYKTOQJLEPDS-MRVPVSSYSA-N -2 3 311.248 0.397 20 0 DCADHL O=C(c1ccc(F)c([O-])c1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001362413360 959305363 /nfs/dbraw/zinc/30/53/63/959305363.db2.gz YRJUCFZKDYDXJM-VIFPVBQESA-N -2 3 309.326 0.975 20 0 DCADHL O=C(c1ccc(F)c([O-])c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001362413360 959305391 /nfs/dbraw/zinc/30/53/91/959305391.db2.gz YRJUCFZKDYDXJM-VIFPVBQESA-N -2 3 309.326 0.975 20 0 DCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001594226561 959432037 /nfs/dbraw/zinc/43/20/37/959432037.db2.gz VPJVJNICQVTFIL-PSLIRLAXSA-N -2 3 306.318 0.349 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000228551096 960024832 /nfs/dbraw/zinc/02/48/32/960024832.db2.gz BFANTBXGOXJPFH-LURJTMIESA-N -2 3 308.406 0.873 20 0 DCADHL CN(C)c1nc(C(=O)NCc2cccc(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001604092376 972495951 /nfs/dbraw/zinc/49/59/51/972495951.db2.gz 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C=CC(=O)Nc1ccc([O-])c(C(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC001602713324 971363417 /nfs/dbraw/zinc/36/34/17/971363417.db2.gz ZEEZUDVMJIVELS-AWEZNQCLSA-N -2 3 308.290 0.082 20 0 DCADHL CSc1nc(CNc2ccc(-c3nnn[n-]3)nn2)cc(=O)[n-]1 ZINC001570921016 948612261 /nfs/dbraw/zinc/61/22/61/948612261.db2.gz KMKAZHHQYWMZTO-UHFFFAOYSA-N -2 3 317.338 0.486 20 0 DCADHL CCOc1nc(NC(=O)c2cccc(OCC(=O)[O-])c2)n[n-]1 ZINC001593060198 951391887 /nfs/dbraw/zinc/39/18/87/951391887.db2.gz BDSIXHFMFDKAON-UHFFFAOYSA-N -2 3 306.278 0.919 20 0 DCADHL CCOc1n[n-]c(NC(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC001593060198 951391903 /nfs/dbraw/zinc/39/19/03/951391903.db2.gz BDSIXHFMFDKAON-UHFFFAOYSA-N -2 3 306.278 0.919 20 0 DCADHL O=C([O-])CN1CCCC[C@@H](NC(=O)c2ccccc2[O-])C1=O ZINC001595096587 951819202 /nfs/dbraw/zinc/81/92/02/951819202.db2.gz QDDIUDNJOSDRCC-LLVKDONJSA-N -2 3 306.318 0.588 20 0 DCADHL Cc1cc(C(=O)NC[C@H]2CCN2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001412658045 952970542 /nfs/dbraw/zinc/97/05/42/952970542.db2.gz 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O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](O)C2CC2)c1F ZINC000071306469 957717277 /nfs/dbraw/zinc/71/72/77/957717277.db2.gz WIVOYTAXGYTRAN-MRVPVSSYSA-N -2 3 321.301 0.712 20 0 DCADHL O=C([O-])c1cnc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cn1 ZINC001574819819 957904130 /nfs/dbraw/zinc/90/41/30/957904130.db2.gz FUYQNBYYIIHUBR-SSDOTTSWSA-N -2 3 303.278 0.233 20 0 DCADHL O=C(C(=O)N1CCSC[C@H]1c1nnn[n-]1)c1ccc([O-])cc1 ZINC001296691751 958037013 /nfs/dbraw/zinc/03/70/13/958037013.db2.gz WZLVEUYFGGDPCW-JTQLQIEISA-N -2 3 319.346 0.405 20 0 DCADHL O=C(C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc([O-])cc1 ZINC001296691751 958037033 /nfs/dbraw/zinc/03/70/33/958037033.db2.gz WZLVEUYFGGDPCW-JTQLQIEISA-N -2 3 319.346 0.405 20 0 DCADHL O=C(c1ccc(Cl)c([O-])c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001362120998 958772821 /nfs/dbraw/zinc/77/28/21/958772821.db2.gz CESBDJUJPWEMDQ-JTQLQIEISA-N -2 3 309.713 0.772 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)CCC(=O)[O-])C2)n1 ZINC001594269359 959784757 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C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1nccs1 ZINC000235109891 960387541 /nfs/dbraw/zinc/38/75/41/960387541.db2.gz XSEYPNHHDFGWEL-LURJTMIESA-N -2 3 316.364 0.646 20 0 DCADHL O=C(Cc1ccc([O-])c(Cl)c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363117410 960423059 /nfs/dbraw/zinc/42/30/59/960423059.db2.gz WNMASFFSNKEHGT-JTQLQIEISA-N -2 3 323.740 0.701 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)o1 ZINC000236465705 960640917 /nfs/dbraw/zinc/64/09/17/960640917.db2.gz JHHXCLPDKNRTNT-KCJUWKMLSA-N -2 3 301.320 0.824 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000236471785 960652911 /nfs/dbraw/zinc/65/29/11/960652911.db2.gz QAKOEPOMZSWWKM-ZETCQYMHSA-N -2 3 306.365 0.546 20 0 DCADHL COC(=O)c1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cc1F ZINC001363316492 960871417 /nfs/dbraw/zinc/87/14/17/960871417.db2.gz DAXNWJIEAMWVGT-UHFFFAOYSA-N -2 3 321.264 0.744 20 0 DCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccc2c(c1)OCCCO2 ZINC001363332332 960916618 /nfs/dbraw/zinc/91/66/18/960916618.db2.gz 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CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001596450764 984155032 /nfs/dbraw/zinc/15/50/32/984155032.db2.gz VVMPWYRXSIVHDF-UHFFFAOYSA-N -2 3 318.351 0.418 20 0 DCADHL C[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001599901347 984833894 /nfs/dbraw/zinc/83/38/94/984833894.db2.gz CEPIGKBZUBZJJE-QMMMGPOBSA-N -2 3 307.368 0.501 20 0 DCADHL CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)[C@H](CC)C(=O)[O-] ZINC001596754507 985115441 /nfs/dbraw/zinc/11/54/41/985115441.db2.gz PAMDLSJTCFTGLB-DTWKUNHWSA-N -2 3 324.337 0.756 20 0 DCADHL CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)[C@H](CC)C(=O)[O-] ZINC001596754507 985115444 /nfs/dbraw/zinc/11/54/44/985115444.db2.gz PAMDLSJTCFTGLB-DTWKUNHWSA-N -2 3 324.337 0.756 20 0 DCADHL C[C@H](C(=O)N(CCC(=O)[O-])CC(=O)[O-])N1CCCCCC1 ZINC001589342003 986261529 /nfs/dbraw/zinc/26/15/29/986261529.db2.gz SWRWNYTWRJRHTC-LLVKDONJSA-N -2 3 300.355 0.639 20 0 DCADHL CC[C@H](C)[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-] ZINC001597324486 987454045 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/nfs/dbraw/zinc/33/42/18/418334218.db2.gz UOMTUOMRYIUSCJ-OCAPTIKFSA-N -2 3 303.311 0.976 20 0 DCADHL O=C([O-])CN1CC[C@H](N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1=O ZINC000662203215 418387706 /nfs/dbraw/zinc/38/77/06/418387706.db2.gz BYNUZBGNTUPZBG-WYUUTHIRSA-N -2 3 310.350 0.390 20 0 DCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@H]1CCOC1 ZINC000547549055 288056827 /nfs/dbraw/zinc/05/68/27/288056827.db2.gz DSOJEHKFQJMOQH-CPCISQLKSA-N -2 3 321.301 0.733 20 0 DCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000547600328 288061495 /nfs/dbraw/zinc/06/14/95/288061495.db2.gz UMRVNIFSDUMFPK-QMMMGPOBSA-N -3 3 319.339 0.060 20 0 DCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548204757 288120683 /nfs/dbraw/zinc/12/06/83/288120683.db2.gz PASYMSBBIQYKOZ-MWLCHTKSSA-N -2 3 317.367 0.232 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(Cl)cc1F ZINC000548534326 288151507 /nfs/dbraw/zinc/15/15/07/288151507.db2.gz DXXUUGPCBQNTES-QMMMGPOBSA-N -2 3 311.718 0.511 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-] ZINC000548538118 288151804 /nfs/dbraw/zinc/15/18/04/288151804.db2.gz PPBOIAKXABYRFX-JTQLQIEISA-N -2 3 319.310 0.754 20 0 DCADHL O=C(c1ccc(Cl)cc1[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000332583192 280183820 /nfs/dbraw/zinc/18/38/20/280183820.db2.gz JWBZPBMBWYQXGP-VIFPVBQESA-N -2 3 309.709 0.422 20 0 DCADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C(=O)[O-])C3CC3)cn21 ZINC000563520952 288681961 /nfs/dbraw/zinc/68/19/61/288681961.db2.gz NYOKVUBZJACMSJ-UFBFGSQYSA-N -2 3 313.379 0.922 20 0 DCADHL C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1C(=O)[O-] ZINC000564967891 288798571 /nfs/dbraw/zinc/79/85/71/288798571.db2.gz VCGJSPHWYPNIDS-PELKAZGASA-N -2 3 316.313 0.896 20 0 DCADHL O=C([O-])Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)cn1 ZINC000583932748 331474174 /nfs/dbraw/zinc/47/41/74/331474174.db2.gz HWOYPKFNPPXCPP-BDAKNGLRSA-N -2 3 305.331 0.527 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)cn1C ZINC000399747570 331484899 /nfs/dbraw/zinc/48/48/99/331484899.db2.gz SCVSHQXSRIVZFY-KCJUWKMLSA-N -2 3 303.384 0.752 20 0 DCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584002686 331559427 /nfs/dbraw/zinc/55/94/27/331559427.db2.gz IHPUKZMGUQRDIP-UHFFFAOYSA-N -2 3 303.278 0.822 20 0 DCADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-] ZINC000580712596 332967176 /nfs/dbraw/zinc/96/71/76/332967176.db2.gz NODIKCHLFGWYIZ-AYYIZTPMSA-N -2 3 301.368 0.909 20 0 DCADHL C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000582060433 333194066 /nfs/dbraw/zinc/19/40/66/333194066.db2.gz IXGUFCHYNWCTNJ-JGVFFNPUSA-N -2 3 303.340 0.344 20 0 DCADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000583202166 337268763 /nfs/dbraw/zinc/26/87/63/337268763.db2.gz RKLIIXJCWXWYPX-HTQZYQBOSA-N -2 3 320.392 0.935 20 0 DCADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-] ZINC000576633733 341855939 /nfs/dbraw/zinc/85/59/39/341855939.db2.gz NTKXNHJKVOVDPU-JTQLQIEISA-N -2 3 321.374 0.857 20 0 DCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000576700445 341859153 /nfs/dbraw/zinc/85/91/53/341859153.db2.gz FQIVTZRAWBUJHX-SECBINFHSA-N -2 3 303.340 0.053 20 0 DCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@](C)(CO)C(=O)[O-])c1 ZINC001600623668 1159778901 /nfs/dbraw/zinc/77/89/01/1159778901.db2.gz NUTPMMWOBMOGMB-SNVBAGLBSA-N -2 3 308.743 0.157 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c1 ZINC001602556201 1159785051 /nfs/dbraw/zinc/78/50/51/1159785051.db2.gz CTHAHHVZYHXNGG-WPRPVWTQSA-N -2 3 303.336 0.807 20 0 DCADHL CCn1nccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000364218622 523744089 /nfs/dbraw/zinc/74/40/89/523744089.db2.gz HYRPSFXEAMBNIT-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL CCn1nccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000364218622 523744096 /nfs/dbraw/zinc/74/40/96/523744096.db2.gz HYRPSFXEAMBNIT-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL CCOC(=O)c1cc(S(=O)(=O)[N-]CC(=O)[O-])c(F)cc1C ZINC000285007774 535684529 /nfs/dbraw/zinc/68/45/29/535684529.db2.gz HINIVJMEFLWFQD-UHFFFAOYSA-N -2 3 319.310 0.674 20 0 DCADHL O=C([O-])C1([N-]S(=O)(=O)c2c[nH]cn2)Cc2ccccc2C1 ZINC000681952336 548331567 /nfs/dbraw/zinc/33/15/67/548331567.db2.gz SWLFEMPZBFIKNT-UHFFFAOYSA-N -2 3 307.331 0.310 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC(=O)NC2CC2)o1 ZINC000092987712 599770420 /nfs/dbraw/zinc/77/04/20/599770420.db2.gz WINZRCZKYRGWDA-UHFFFAOYSA-N -2 3 316.335 0.315 20 0 DCADHL Cc1c([O-])ccc2c(CN3C[C@H](O)C[C@H]3C(=O)[O-])cc(=O)oc12 ZINC000738304713 600140404 /nfs/dbraw/zinc/14/04/04/600140404.db2.gz BIJFVUABQNLGFO-PWSUYJOCSA-N -2 3 319.313 0.827 20 0 DCADHL CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC000736876319 600371296 /nfs/dbraw/zinc/37/12/96/600371296.db2.gz ZSPMZLZWPHNEAX-QPUJVOFHSA-N -2 3 310.306 0.560 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)Cn2ccnc2)cc1C(=O)[O-] ZINC000833027469 601217132 /nfs/dbraw/zinc/21/71/32/601217132.db2.gz FSBMBZYVCQEIMB-QMMMGPOBSA-N -2 3 313.335 0.850 20 0 DCADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000828692620 601219643 /nfs/dbraw/zinc/21/96/43/601219643.db2.gz KIWGOXYFGKLWMC-GFCCVEGCSA-N -2 3 319.335 0.906 20 0 DCADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC000231788053 601251776 /nfs/dbraw/zinc/25/17/76/601251776.db2.gz GDXXEBWLJAFQFH-UHFFFAOYSA-N -2 3 315.282 0.694 20 0 DCADHL O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C1CC1 ZINC000833197424 601563964 /nfs/dbraw/zinc/56/39/64/601563964.db2.gz CQWNDVILGHHUNH-GFCCVEGCSA-N -2 3 306.318 0.492 20 0 DCADHL CC(C)C[C@@H](NC(=O)Cn1cc(Cl)c(=O)[n-]c1=O)C(=O)[O-] ZINC000826792606 601577020 /nfs/dbraw/zinc/57/70/20/601577020.db2.gz CHQWYMRHUKJIQH-MRVPVSSYSA-N -2 3 317.729 0.218 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-]c2cnoc2)c1-c1nn[n-]n1 ZINC000826303951 607536511 /nfs/dbraw/zinc/53/65/11/607536511.db2.gz OBEOYSWFGZGLCH-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL O=C([O-])NC[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000832568076 603127854 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C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000166896957 605037477 /nfs/dbraw/zinc/03/74/77/605037477.db2.gz PHPVWPGSIJNPPI-BQBZGAKWSA-N -2 3 323.317 0.958 20 0 DCADHL CN(CCC[N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000828306815 605182088 /nfs/dbraw/zinc/18/20/88/605182088.db2.gz WCSXWRWIQJQDLG-UHFFFAOYSA-N -2 3 310.763 0.352 20 0 DCADHL CC(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833392327 605192062 /nfs/dbraw/zinc/19/20/62/605192062.db2.gz DFGPPEMWDASYPS-UHFFFAOYSA-N -2 3 316.335 0.267 20 0 DCADHL CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833657786 605423516 /nfs/dbraw/zinc/42/35/16/605423516.db2.gz UANVWSGKIQFJAP-YUMQZZPRSA-N -2 3 319.335 0.844 20 0 DCADHL O=C([O-])N1CCN(CCNC(=O)c2ccc(O)cc2[O-])CC1 ZINC000834041690 605833911 /nfs/dbraw/zinc/83/39/11/605833911.db2.gz NUNCHUAXDNBDIS-UHFFFAOYSA-N -2 3 309.322 0.123 20 0 DCADHL CSc1nc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n[n-]1 ZINC000829783113 605895831 /nfs/dbraw/zinc/89/58/31/605895831.db2.gz 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609218237 /nfs/dbraw/zinc/21/82/37/609218237.db2.gz BXIWUSBDZCZYOU-RYUDHWBXSA-N -2 3 319.321 0.475 20 0 DCADHL O=C([N-]O[C@H]1CCCCO1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449633 609218238 /nfs/dbraw/zinc/21/82/38/609218238.db2.gz BXIWUSBDZCZYOU-RYUDHWBXSA-N -2 3 319.321 0.475 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])s1 ZINC000776588853 659482057 /nfs/dbraw/zinc/48/20/57/659482057.db2.gz SVTUINPCDBHVKF-SSDOTTSWSA-N -2 3 321.376 0.924 20 0 DCADHL O=C(c1cc(F)ccc1[O-])N1CCSC[C@H]1c1nnn[n-]1 ZINC000907473383 663697245 /nfs/dbraw/zinc/69/72/45/663697245.db2.gz GUZQFZXIFSRUIK-VIFPVBQESA-N -2 3 309.326 0.975 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])s1 ZINC000863411072 667140800 /nfs/dbraw/zinc/14/08/00/667140800.db2.gz SZARDMRDYKFQDR-ZETCQYMHSA-N -2 3 306.365 0.416 20 0 DCADHL O=C(c1c([O-])cccc1Cl)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000738246285 667662730 /nfs/dbraw/zinc/66/27/30/667662730.db2.gz DMBYYCXCAMGXEA-SECBINFHSA-N -2 3 309.713 0.772 20 0 DCADHL O=C(c1c([O-])cccc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000738246285 667662731 /nfs/dbraw/zinc/66/27/31/667662731.db2.gz DMBYYCXCAMGXEA-SECBINFHSA-N -2 3 309.713 0.772 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCOCC2)s1 ZINC000776528374 668877078 /nfs/dbraw/zinc/87/70/78/668877078.db2.gz XUHZLLONSMLLDM-JTQLQIEISA-N -2 3 320.392 0.610 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-] ZINC000776589660 668878764 /nfs/dbraw/zinc/87/87/64/668878764.db2.gz ZCFGYVZVOLDFFO-ZCFIWIBFSA-N -2 3 309.775 0.771 20 0 DCADHL O=C([O-])C1(NC(=O)c2nnc3ccccc3c2[O-])CCOCC1 ZINC000852961027 671201026 /nfs/dbraw/zinc/20/10/26/671201026.db2.gz ZGNROOOOTRBDLB-UHFFFAOYSA-N -2 3 317.301 0.699 20 0 DCADHL C[C@H](CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824420574 671430261 /nfs/dbraw/zinc/43/02/61/671430261.db2.gz MZZSMQCUXZAHSJ-BDAKNGLRSA-N -2 3 319.321 0.471 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1 ZINC000825804888 671472645 /nfs/dbraw/zinc/47/26/45/671472645.db2.gz JCIONNUFFQCBPJ-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCOC1 ZINC000844802115 672204180 /nfs/dbraw/zinc/20/41/80/672204180.db2.gz VWAOYGYIGXBKFG-JTQLQIEISA-N -2 3 324.717 0.396 20 0 DCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000846001088 672287569 /nfs/dbraw/zinc/28/75/69/672287569.db2.gz APKZWTAXSHSNKJ-UHFFFAOYSA-N -2 3 310.734 0.825 20 0 DCADHL CCN(CCCNC(=O)c1ncccc1[O-])Cc1n[nH]c(=O)[n-]1 ZINC001566547285 1160050916 /nfs/dbraw/zinc/05/09/16/1160050916.db2.gz MLTAJPIAVYDOKH-UHFFFAOYSA-N -2 3 320.353 0.253 20 0 DCADHL C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccncc1 ZINC001573550874 1163487769 /nfs/dbraw/zinc/48/77/69/1163487769.db2.gz JHYXAKNCYJQXFF-QMMMGPOBSA-N -2 3 310.335 0.585 20 0 DCADHL CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573729784 1163544287 /nfs/dbraw/zinc/54/42/87/1163544287.db2.gz YWIZDTRNDFXROC-IONNQARKSA-N -2 3 305.356 0.183 20 0 DCADHL O=C([O-])C1(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC001574292475 1163686233 /nfs/dbraw/zinc/68/62/33/1163686233.db2.gz AUNCFOAFSBLJLB-JTQLQIEISA-N -2 3 320.349 0.522 20 0 DCADHL Cn1[n-]c(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1=O ZINC001581821573 1165884230 /nfs/dbraw/zinc/88/42/30/1165884230.db2.gz AATKATWLHOJVHA-UHFFFAOYSA-N -2 3 317.284 0.375 20 0 DCADHL Cn1[n-]c(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1=O ZINC001581821573 1165884239 /nfs/dbraw/zinc/88/42/39/1165884239.db2.gz AATKATWLHOJVHA-UHFFFAOYSA-N -2 3 317.284 0.375 20 0 DCADHL CC(=O)OC(C)(C)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001588886411 1166614296 /nfs/dbraw/zinc/61/42/96/1166614296.db2.gz DJNJMRGITJYIRM-UHFFFAOYSA-N -2 3 305.294 0.618 20 0 DCADHL CC(=O)OC(C)(C)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001588886411 1166614302 /nfs/dbraw/zinc/61/43/02/1166614302.db2.gz DJNJMRGITJYIRM-UHFFFAOYSA-N -2 3 305.294 0.618 20 0 DCADHL C[C@@H](C(=O)[O-])C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001589025486 1166628836 /nfs/dbraw/zinc/62/88/36/1166628836.db2.gz WUPDIHFTLKTABO-SECBINFHSA-N -2 3 303.322 0.588 20 0 DCADHL C[C@](O)(CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001589989691 1166737409 /nfs/dbraw/zinc/73/74/09/1166737409.db2.gz HODGZIRGUDQECZ-AWEZNQCLSA-N -2 3 303.322 0.828 20 0 DCADHL C[C@](O)(CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001589989691 1166737415 /nfs/dbraw/zinc/73/74/15/1166737415.db2.gz HODGZIRGUDQECZ-AWEZNQCLSA-N -2 3 303.322 0.828 20 0 DCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OC(C)(C)CO ZINC001590025536 1166757704 /nfs/dbraw/zinc/75/77/04/1166757704.db2.gz YUQDLRLQCMWICQ-SECBINFHSA-N -2 3 321.337 0.453 20 0 DCADHL CC[C@@H](CS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1)OC ZINC001590448635 1166908865 /nfs/dbraw/zinc/90/88/65/1166908865.db2.gz XUCINWGSKPVABF-ZETCQYMHSA-N -2 3 315.359 0.065 20 0 DCADHL CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590688859 1166973777 /nfs/dbraw/zinc/97/37/77/1166973777.db2.gz YWTYFDNCEFRNHX-UHFFFAOYSA-N -2 3 324.366 0.183 20 0 DCADHL CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590688859 1166973784 /nfs/dbraw/zinc/97/37/84/1166973784.db2.gz YWTYFDNCEFRNHX-UHFFFAOYSA-N -2 3 324.366 0.183 20 0 DCADHL CCOCCO[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590816532 1167031369 /nfs/dbraw/zinc/03/13/69/1167031369.db2.gz NBJMMWOAAPBAMU-UHFFFAOYSA-N -2 3 317.349 0.983 20 0 DCADHL CCOCCO[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590816532 1167031372 /nfs/dbraw/zinc/03/13/72/1167031372.db2.gz NBJMMWOAAPBAMU-UHFFFAOYSA-N -2 3 317.349 0.983 20 0 DCADHL CCO[N-]C(=O)CNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001590819652 1167034693 /nfs/dbraw/zinc/03/46/93/1167034693.db2.gz XMDBVIXZIVAZGO-UHFFFAOYSA-N -2 3 314.309 0.290 20 0 DCADHL CCO[N-]C(=O)CNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001590819652 1167034700 /nfs/dbraw/zinc/03/47/00/1167034700.db2.gz XMDBVIXZIVAZGO-UHFFFAOYSA-N -2 3 314.309 0.290 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001591467446 1167298513 /nfs/dbraw/zinc/29/85/13/1167298513.db2.gz OSLJTXVCEGLBNK-UHFFFAOYSA-N -2 3 302.294 0.360 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001591467446 1167298517 /nfs/dbraw/zinc/29/85/17/1167298517.db2.gz OSLJTXVCEGLBNK-UHFFFAOYSA-N -2 3 302.294 0.360 20 0 DCADHL COc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591509511 1167316447 /nfs/dbraw/zinc/31/64/47/1167316447.db2.gz AQHUPVFUQPFJKI-MRVPVSSYSA-N -2 3 319.321 0.668 20 0 DCADHL COc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591509511 1167316453 /nfs/dbraw/zinc/31/64/53/1167316453.db2.gz AQHUPVFUQPFJKI-MRVPVSSYSA-N -2 3 319.321 0.668 20 0 DCADHL Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC001591784434 1167378093 /nfs/dbraw/zinc/37/80/93/1167378093.db2.gz NVVAMZHSTQSZFX-UHFFFAOYSA-N -2 3 324.366 0.363 20 0 DCADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC001591784434 1167378096 /nfs/dbraw/zinc/37/80/96/1167378096.db2.gz NVVAMZHSTQSZFX-UHFFFAOYSA-N -2 3 324.366 0.363 20 0 DCADHL Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)ccc1-c1nn[n-]n1 ZINC001592381370 1167510031 /nfs/dbraw/zinc/51/00/31/1167510031.db2.gz ZKTAUQXROMIBLD-QNSHHTMESA-N -2 3 304.310 0.206 20 0 DCADHL O=C([N-]OCCO)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001593169608 1167730335 /nfs/dbraw/zinc/73/03/35/1167730335.db2.gz ZKNYTUHKZNLENQ-UHFFFAOYSA-N -2 3 307.285 0.078 20 0 DCADHL O=C([N-]OCCO)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001593169608 1167730342 /nfs/dbraw/zinc/73/03/42/1167730342.db2.gz ZKNYTUHKZNLENQ-UHFFFAOYSA-N -2 3 307.285 0.078 20 0 DCADHL O=C([O-])[C@@H]1COCCN1Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001593277205 1167751122 /nfs/dbraw/zinc/75/11/22/1167751122.db2.gz UHDMIKIYUGKSHH-NSHDSACASA-N -2 3 323.740 0.806 20 0 DCADHL O=C([O-])[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC001593277234 1167751765 /nfs/dbraw/zinc/75/17/65/1167751765.db2.gz VMUXRTPYHSOOOM-VIFPVBQESA-N -2 3 309.713 0.810 20 0 DCADHL O=C([O-])[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC001593277234 1167751772 /nfs/dbraw/zinc/75/17/72/1167751772.db2.gz VMUXRTPYHSOOOM-VIFPVBQESA-N -2 3 309.713 0.810 20 0 DCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593306951 1167766498 /nfs/dbraw/zinc/76/64/98/1167766498.db2.gz HXCWRGLGJFBOAP-UHFFFAOYSA-N -2 3 321.684 0.701 20 0 DCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593306951 1167766505 /nfs/dbraw/zinc/76/65/05/1167766505.db2.gz HXCWRGLGJFBOAP-UHFFFAOYSA-N -2 3 321.684 0.701 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])oc1C(=O)[O-] ZINC001600299293 1168161254 /nfs/dbraw/zinc/16/12/54/1168161254.db2.gz WIBVICZPHCDENT-LURJTMIESA-N -3 3 305.308 0.675 20 0 DCADHL Cc1nc(C)c(CC(=O)OCC(=O)C(C)(C)C(=O)[O-])c(=O)[n-]1 ZINC001600691921 1168252360 /nfs/dbraw/zinc/25/23/60/1168252360.db2.gz VPKVUSVBCZFKBJ-UHFFFAOYSA-N -2 3 310.306 0.565 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c(=O)[n-]1 ZINC001600691364 1168252597 /nfs/dbraw/zinc/25/25/97/1168252597.db2.gz HDIGFGSAHDLLQV-PELKAZGASA-N -2 3 323.349 0.432 20 0 DCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)n1 ZINC001600804719 1168300345 /nfs/dbraw/zinc/30/03/45/1168300345.db2.gz ZXEGEFADDXGOEY-SSDOTTSWSA-N -2 3 303.340 0.613 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCOCC1 ZINC001600818034 1168473603 /nfs/dbraw/zinc/47/36/03/1168473603.db2.gz IKZMKODBFMWDCH-UHFFFAOYSA-N -2 3 318.351 0.533 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC(=O)[O-])C2)nc1Cl ZINC001600968609 1168537171 /nfs/dbraw/zinc/53/71/71/1168537171.db2.gz VCLUHLPHPHRCTR-SFYZADRCSA-N -2 3 321.786 0.995 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]([C@H]2CCCO2)C1 ZINC001601825117 1168907601 /nfs/dbraw/zinc/90/76/01/1168907601.db2.gz YHXMARUAXSCDCS-YUSALJHKSA-N -2 3 321.333 0.667 20 0 DCADHL O=C([O-])C[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001601952402 1168945859 /nfs/dbraw/zinc/94/58/59/1168945859.db2.gz FOYSRZUMPHSCQU-LURJTMIESA-N -2 3 321.259 0.972 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CC3(C2)OCCO3)o1 ZINC001602399700 1169072332 /nfs/dbraw/zinc/07/23/32/1169072332.db2.gz KXAMBDAOWLZRGL-UHFFFAOYSA-N -2 3 317.319 0.409 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCN(C2CC2)C1 ZINC001602488099 1169089687 /nfs/dbraw/zinc/08/96/87/1169089687.db2.gz CCVVEJUZQOSDBI-QMMMGPOBSA-N -2 3 300.336 0.493 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@]12CCC[C@H]1OCC2 ZINC001602487840 1169089809 /nfs/dbraw/zinc/08/98/09/1169089809.db2.gz GWWUQJAFKHMJFZ-SKDRFNHKSA-N -2 3 301.320 0.968 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC001602489059 1169090842 /nfs/dbraw/zinc/09/08/42/1169090842.db2.gz QKLSLOXNJSCIMH-UHFFFAOYSA-N -2 3 303.336 0.809 20 0 DCADHL C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603536099 1169319720 /nfs/dbraw/zinc/31/97/20/1169319720.db2.gz SMOQFRHYIBRPSW-ZCFIWIBFSA-N -2 3 308.273 0.848 20 0 DCADHL C[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603536099 1169319725 /nfs/dbraw/zinc/31/97/25/1169319725.db2.gz SMOQFRHYIBRPSW-ZCFIWIBFSA-N -2 3 308.273 0.848 20 0 DCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001603844177 1169411013 /nfs/dbraw/zinc/41/10/13/1169411013.db2.gz BIWAPUHOBIPXPX-YUMQZZPRSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001603844177 1169411020 /nfs/dbraw/zinc/41/10/20/1169411020.db2.gz BIWAPUHOBIPXPX-YUMQZZPRSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604489226 1169603836 /nfs/dbraw/zinc/60/38/36/1169603836.db2.gz AANVPQKOZWJYSB-UFBFGSQYSA-N -3 3 317.319 0.900 20 0 DCADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001604635218 1169638437 /nfs/dbraw/zinc/63/84/37/1169638437.db2.gz ZADQTXGGFWMBGY-NTSWFWBYSA-N -2 3 321.259 0.828 20 0 DCADHL CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC001605362094 1169904499 /nfs/dbraw/zinc/90/44/99/1169904499.db2.gz SAAKXNOOVUWOSQ-UHFFFAOYSA-N -2 3 316.368 0.251 20 0 DCADHL Cc1nc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1-c1nnn[n-]1 ZINC001606025508 1170055618 /nfs/dbraw/zinc/05/56/18/1170055618.db2.gz TYFWWFSTMDQJSX-MRVPVSSYSA-N -2 3 316.321 0.648 20 0 DCADHL Cc1nc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1-c1nn[n-]n1 ZINC001606025508 1170055626 /nfs/dbraw/zinc/05/56/26/1170055626.db2.gz TYFWWFSTMDQJSX-MRVPVSSYSA-N -2 3 316.321 0.648 20 0 DCADHL Cn1[n-]c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1=O ZINC001606267145 1170142003 /nfs/dbraw/zinc/14/20/03/1170142003.db2.gz XLACCYKBOSPYGB-UHFFFAOYSA-N -2 3 317.284 0.375 20 0 DCADHL Cn1[n-]c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1=O ZINC001606267145 1170142005 /nfs/dbraw/zinc/14/20/05/1170142005.db2.gz XLACCYKBOSPYGB-UHFFFAOYSA-N -2 3 317.284 0.375 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C1CC1 ZINC001606681244 1170261132 /nfs/dbraw/zinc/26/11/32/1170261132.db2.gz ZWDDMGINJCMCAU-QMMMGPOBSA-N -2 3 303.340 0.120 20 0 DCADHL O=C([N-]S(=O)(=O)C(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC001606863482 1170316435 /nfs/dbraw/zinc/31/64/35/1170316435.db2.gz BTCXCDDUPJMZNT-UHFFFAOYSA-N -2 3 303.250 0.149 20 0 DCADHL O=C([N-]S(=O)(=O)C(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC001606863482 1170316436 /nfs/dbraw/zinc/31/64/36/1170316436.db2.gz BTCXCDDUPJMZNT-UHFFFAOYSA-N -2 3 303.250 0.149 20 0 DCADHL O=C(NOCc1ccccn1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606863530 1170317827 /nfs/dbraw/zinc/31/78/27/1170317827.db2.gz DRJKPSSCNKLZMF-UHFFFAOYSA-N -2 3 312.289 0.829 20 0 DCADHL O=C([O-])C1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001606960478 1170340515 /nfs/dbraw/zinc/34/05/15/1170340515.db2.gz IXLICVNSQFGRDU-UHFFFAOYSA-N -2 3 320.284 0.232 20 0 DCADHL O=C([O-])C1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001606960478 1170340520 /nfs/dbraw/zinc/34/05/20/1170340520.db2.gz IXLICVNSQFGRDU-UHFFFAOYSA-N -2 3 320.284 0.232 20 0 DCADHL CO[C@@]12CCC[C@]1([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])CCO2 ZINC001607003132 1170351057 /nfs/dbraw/zinc/35/10/57/1170351057.db2.gz XEFYFXKFHNXARD-ADEWGFFLSA-N -2 3 307.368 0.312 20 0 DCADHL C[C@@H]1C[C@H](C(=O)Nc2ccccc2-c2nnn[n-]2)O[C@H]1C(=O)[O-] ZINC001607444861 1170454609 /nfs/dbraw/zinc/45/46/09/1170454609.db2.gz SVVYVAODUNXDPT-AVPPRXQKSA-N -2 3 317.305 0.683 20 0 DCADHL C[C@@H]1C[C@H](C(=O)Nc2ccccc2-c2nn[n-]n2)O[C@H]1C(=O)[O-] ZINC001607444861 1170454610 /nfs/dbraw/zinc/45/46/10/1170454610.db2.gz SVVYVAODUNXDPT-AVPPRXQKSA-N -2 3 317.305 0.683 20 0 DCADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001607453301 1170457051 /nfs/dbraw/zinc/45/70/51/1170457051.db2.gz DGCUHUGLOTWSQC-RXMQYKEDSA-N -3 3 323.273 0.805 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CS[C@@H](C)C2)c1C(=O)[O-] ZINC001607940777 1170528636 /nfs/dbraw/zinc/52/86/36/1170528636.db2.gz UVEIUMXLLJWASG-FSPLSTOPSA-N -2 3 305.381 0.589 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CC[C@H](C)[S@](C)=O)cc1C(=O)[O-] ZINC001608055635 1170560628 /nfs/dbraw/zinc/56/06/28/1170560628.db2.gz ACPLKUYPUODJMK-IIYDVTGLSA-N -2 3 323.392 0.722 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CC2(CO)CCC2)cc1C(=O)[O-] ZINC001608057170 1170561452 /nfs/dbraw/zinc/56/14/52/1170561452.db2.gz YAQXEAYDAVMEMY-UHFFFAOYSA-N -2 3 303.336 0.727 20 0 DCADHL O=C([O-])[C@H](O)C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC001608554135 1170700102 /nfs/dbraw/zinc/70/01/02/1170700102.db2.gz FOHDRQJZSSSRJV-CYBMUJFWSA-N -2 3 323.301 0.419 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCOC2)o1 ZINC001608911111 1170771186 /nfs/dbraw/zinc/77/11/86/1170771186.db2.gz XNWKVYPOCKKNPA-BDAKNGLRSA-N -2 3 319.335 0.044 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1cccc(F)n1 ZINC001608956510 1170775059 /nfs/dbraw/zinc/77/50/59/1170775059.db2.gz WKKPDRRXBUPEHS-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC[C@@](C)(O)C(=O)[O-])n1 ZINC001609127763 1170821418 /nfs/dbraw/zinc/82/14/18/1170821418.db2.gz VOKCUPPCAZQRCP-CQSZACIVSA-N -2 3 320.353 0.807 20 0 DCADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC[C@@](C)(O)C(=O)[O-])n1 ZINC001609127763 1170821427 /nfs/dbraw/zinc/82/14/27/1170821427.db2.gz VOKCUPPCAZQRCP-CQSZACIVSA-N -2 3 320.353 0.807 20 0 DCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OC(C)(C)CO ZINC001609136060 1170822981 /nfs/dbraw/zinc/82/29/81/1170822981.db2.gz KSGRLNKJOIKZIZ-VIFPVBQESA-N -2 3 321.337 0.453 20 0 DCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OC(C)(C)CO ZINC001609136060 1170822989 /nfs/dbraw/zinc/82/29/89/1170822989.db2.gz KSGRLNKJOIKZIZ-VIFPVBQESA-N -2 3 321.337 0.453 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-] ZINC001609415908 1170972641 /nfs/dbraw/zinc/97/26/41/1170972641.db2.gz REGSARUFENXKLQ-BDAKNGLRSA-N -2 3 319.321 0.992 20 0 DCADHL O=C(NCc1nc(=O)o[n-]1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609557734 1171020533 /nfs/dbraw/zinc/02/05/33/1171020533.db2.gz PUBOUYGHSLVZIQ-UHFFFAOYSA-N -2 3 321.684 0.126 20 0 DCADHL O=C(NCc1nc(=O)o[n-]1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609557734 1171020541 /nfs/dbraw/zinc/02/05/41/1171020541.db2.gz PUBOUYGHSLVZIQ-UHFFFAOYSA-N -2 3 321.684 0.126 20 0 DCADHL O=c1cc(C=Cc2ccc(-c3nnn[n-]3)s2)nc2nc[n-]n21 ZINC001609604716 1171038712 /nfs/dbraw/zinc/03/87/12/1171038712.db2.gz IXPRYQNIEMOFJA-UPHRSURJSA-N -2 3 312.318 0.830 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1 ZINC001609624620 1171052478 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DCADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3n(n2)CCCO3)s1 ZINC001610779476 1171321113 /nfs/dbraw/zinc/32/11/13/1171321113.db2.gz URBOEPPFRMDIHA-UHFFFAOYSA-N -2 3 323.334 0.787 20 0 DCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cnn(-c2ccccc2)n1 ZINC001642456945 1171946618 /nfs/dbraw/zinc/94/66/18/1171946618.db2.gz VEEHMAWJBBNYJP-UHFFFAOYSA-N -2 3 312.289 0.399 20 0 DCADHL O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@H](c2nnn[n-]2)C1 ZINC001643387169 1171974088 /nfs/dbraw/zinc/97/40/88/1171974088.db2.gz NVJKPTZPEMIQPV-ZETCQYMHSA-N -2 3 316.350 0.161 20 0 DCADHL O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643387169 1171974094 /nfs/dbraw/zinc/97/40/94/1171974094.db2.gz NVJKPTZPEMIQPV-ZETCQYMHSA-N -2 3 316.350 0.161 20 0 DCADHL C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)[C@H](C)C(=O)[O-] ZINC001645903391 1172177785 /nfs/dbraw/zinc/17/77/85/1172177785.db2.gz DNPNARXPJQDSGU-DTWKUNHWSA-N -2 3 311.363 0.707 20 0 DCADHL C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NCc1n[nH]c(=O)[n-]1 ZINC001134194098 765397663 /nfs/dbraw/zinc/39/76/63/765397663.db2.gz QURYHDGNVZSYJD-IUCAKERBSA-N -2 3 320.353 0.298 20 0 DCADHL CN1C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCC1=O ZINC001180176144 771067808 /nfs/dbraw/zinc/06/78/08/771067808.db2.gz NRZJTOAKUPTOTD-RXMQYKEDSA-N -2 3 300.208 0.079 20 0 DCADHL COC(=O)[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233933492 769498821 /nfs/dbraw/zinc/49/88/21/769498821.db2.gz CEBQRIBUJOAXAZ-NSHDSACASA-N -2 3 300.274 0.939 20 0 DCADHL COc1ccc2ncc([O-])c(C(=O)NCc3nnn[n-]3)c2c1 ZINC001154514608 770205692 /nfs/dbraw/zinc/20/56/92/770205692.db2.gz CYBKIXYGEZOALO-UHFFFAOYSA-N -2 3 300.278 0.392 20 0 DCADHL COc1ccc2ncc([O-])c(C(=O)NCc3nn[n-]n3)c2c1 ZINC001154514608 770205695 /nfs/dbraw/zinc/20/56/95/770205695.db2.gz CYBKIXYGEZOALO-UHFFFAOYSA-N -2 3 300.278 0.392 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC001185555555 771927528 /nfs/dbraw/zinc/92/75/28/771927528.db2.gz ADLGODVSTGRQID-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC001185555555 771927530 /nfs/dbraw/zinc/92/75/30/771927530.db2.gz ADLGODVSTGRQID-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)Nc2cnc[n-]c2=O)ccc1F ZINC001186150253 772012241 /nfs/dbraw/zinc/01/22/41/772012241.db2.gz AGECSNMNMNDVAX-UHFFFAOYSA-N -2 3 313.266 0.820 20 0 DCADHL Cc1oncc1S(=O)(=O)[N-]c1[nH]c(=S)[n-]c(=O)c1N=O ZINC001187333206 772168058 /nfs/dbraw/zinc/16/80/58/772168058.db2.gz GCGJMBKDDFQNGH-UHFFFAOYSA-N -2 3 317.308 0.966 20 0 DCADHL COC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1[O-] ZINC001188392837 772297202 /nfs/dbraw/zinc/29/72/02/772297202.db2.gz WAVFPERGXOFULC-UHFFFAOYSA-N -2 3 317.319 0.484 20 0 DCADHL O=C(NCCP(=O)([O-])[O-])Nc1cccc2nsnc21 ZINC001190320107 772616226 /nfs/dbraw/zinc/61/62/26/772616226.db2.gz IWSJKAYFBHQTAQ-UHFFFAOYSA-N -2 3 302.252 0.991 20 0 DCADHL O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)c2cnccc2Cl)S1 ZINC001192911611 772974635 /nfs/dbraw/zinc/97/46/35/772974635.db2.gz LHQDKWVLZQUKSA-ZETCQYMHSA-N -2 3 307.740 0.322 20 0 DCADHL O=C(Nc1ncc(Br)[n-]c1=O)c1cc(=O)[nH][n-]1 ZINC001193475415 773068628 /nfs/dbraw/zinc/06/86/28/773068628.db2.gz HNRHQYNDHYLUBR-UHFFFAOYSA-N -2 3 300.072 0.213 20 0 DCADHL O=P([O-])([O-])CCCCNS(=O)(=O)Cc1cccnc1 ZINC001197486300 773753055 /nfs/dbraw/zinc/75/30/55/773753055.db2.gz ONIDOSZZZPCGLC-UHFFFAOYSA-N -2 3 308.296 0.459 20 0 DCADHL COC(=O)C([N-]S(=O)(=O)Cc1c(F)cccc1F)=C(C)[O-] ZINC001197622577 773770984 /nfs/dbraw/zinc/77/09/84/773770984.db2.gz JMCYVGUELKFPES-LLVKDONJSA-N -2 3 321.301 0.515 20 0 DCADHL Cc1ccnc(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001198028331 773845588 /nfs/dbraw/zinc/84/55/88/773845588.db2.gz SISQWKPBUOEOEE-UHFFFAOYSA-N -2 3 308.296 0.626 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](CCO)C2CC2)oc1C(=O)[O-] ZINC001600296600 1168157817 /nfs/dbraw/zinc/15/78/17/1168157817.db2.gz CXYSOHLWCSDGCX-SECBINFHSA-N -2 3 303.336 0.726 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCc2ccn(C)n2)oc1C(=O)[O-] ZINC001600299955 1168161170 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O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1n[nH]c(=O)[n-]1 ZINC000826402502 608439847 /nfs/dbraw/zinc/43/98/47/608439847.db2.gz VXDYTUWMHANAJC-AATRIKPKSA-N -2 3 313.277 0.447 20 0 DCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1n[nH]c(=O)[n-]1 ZINC000826402502 608439849 /nfs/dbraw/zinc/43/98/49/608439849.db2.gz VXDYTUWMHANAJC-AATRIKPKSA-N -2 3 313.277 0.447 20 0 DCADHL CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000064940092 658178006 /nfs/dbraw/zinc/17/80/06/658178006.db2.gz PZQLJGXNVGOITK-UHFFFAOYSA-N -3 3 315.351 0.216 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000232108011 661318717 /nfs/dbraw/zinc/31/87/17/661318717.db2.gz LAWJJJLJTXWONY-ZETCQYMHSA-N -2 3 308.743 0.503 20 0 DCADHL COc1cc(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)cc(OC)c1[O-] ZINC000910131840 663846009 /nfs/dbraw/zinc/84/60/09/663846009.db2.gz KMLUSEBRYFFJHM-LLVKDONJSA-N -2 3 313.281 0.904 20 0 DCADHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000057734911 664450212 /nfs/dbraw/zinc/45/02/12/664450212.db2.gz OWRADANKIULRJX-UHFFFAOYSA-N -2 3 300.336 0.567 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])sc1Cl ZINC000231807426 664631921 /nfs/dbraw/zinc/63/19/21/664631921.db2.gz UKHYFILPQWIUNU-SECBINFHSA-N -2 3 313.784 0.824 20 0 DCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)C2CCCC2)c(=O)[n-]1 ZINC000754752791 668050550 /nfs/dbraw/zinc/05/05/50/668050550.db2.gz WQJYGNOSOVCPPW-UHFFFAOYSA-N -2 3 313.379 0.730 20 0 DCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nc[nH]c1C(=O)c1ccccc1 ZINC000816732093 670851000 /nfs/dbraw/zinc/85/10/00/670851000.db2.gz RVHSILXUKVBDAZ-UHFFFAOYSA-N -2 3 314.261 0.027 20 0 DCADHL CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000821185115 671260756 /nfs/dbraw/zinc/26/07/56/671260756.db2.gz KKDWZRSWKLFGLZ-UHFFFAOYSA-N -2 3 308.337 0.475 20 0 DCADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-][N-]C(=O)c1ccccc1F ZINC000016148699 685050267 /nfs/dbraw/zinc/05/02/67/685050267.db2.gz MSHNPMGEFYPEMI-UHFFFAOYSA-N -2 3 312.326 0.789 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(CC(=O)[O-])CC1 ZINC001771748668 1158331761 /nfs/dbraw/zinc/33/17/61/1158331761.db2.gz CWLMDGAUFJKHEY-UHFFFAOYSA-N -2 3 321.786 0.915 20 0 DCADHL CCO[C@H](CS(=O)(=O)[N-]Cc1cc(C(=O)[O-])no1)C1CC1 ZINC001573795070 1163556588 /nfs/dbraw/zinc/55/65/88/1163556588.db2.gz DXYNVBDORBNLOB-LLVKDONJSA-N -2 3 318.351 0.607 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@@H](C)CCO)c1C(=O)[O-] ZINC001574181568 1163653927 /nfs/dbraw/zinc/65/39/27/1163653927.db2.gz BAXNOVJJHZNPRB-SSDOTTSWSA-N -2 3 305.356 0.103 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C2CC2)O1 ZINC001574418061 1163717753 /nfs/dbraw/zinc/71/77/53/1163717753.db2.gz UCSDBZSBOWMMHF-PSASIEDQSA-N -2 3 315.351 0.344 20 0 DCADHL O=C([O-])c1cccc(CNCc2nc3c(c(=O)[n-]2)COCC3)n1 ZINC001574414893 1163717854 /nfs/dbraw/zinc/71/78/54/1163717854.db2.gz IXFAVIADWMECDR-UHFFFAOYSA-N -2 3 316.317 0.638 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC001574418421 1163719184 /nfs/dbraw/zinc/71/91/84/1163719184.db2.gz YGACEWJFGMWAMJ-UHFFFAOYSA-N -2 3 321.358 0.801 20 0 DCADHL Cc1ccc(CNC(=O)c2cc(=O)n(C)[n-]2)cc1-c1nnn[n-]1 ZINC001581197638 1165795233 /nfs/dbraw/zinc/79/52/33/1165795233.db2.gz IHJDWRNECDDZDE-UHFFFAOYSA-N -2 3 313.321 0.544 20 0 DCADHL Cc1ccc(CNC(=O)c2cc(=O)n(C)[n-]2)cc1-c1nn[n-]n1 ZINC001581197638 1165795240 /nfs/dbraw/zinc/79/52/40/1165795240.db2.gz IHJDWRNECDDZDE-UHFFFAOYSA-N -2 3 313.321 0.544 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001590015707 1166753038 /nfs/dbraw/zinc/75/30/38/1166753038.db2.gz KNSYHOXWYIFFFK-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001590015707 1166753044 /nfs/dbraw/zinc/75/30/44/1166753044.db2.gz KNSYHOXWYIFFFK-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL Cc1[n-]n(-c2cc(-c3nnn[n-]3)cc(Cl)n2)c(=O)c1CCO ZINC001590162518 1166793337 /nfs/dbraw/zinc/79/33/37/1166793337.db2.gz XJCSWEQVVKPICH-MRVPVSSYSA-N -2 3 321.728 0.636 20 0 DCADHL Cc1[n-]n(-c2cc(-c3nn[n-]n3)cc(Cl)n2)c(=O)c1CCO ZINC001590162518 1166793342 /nfs/dbraw/zinc/79/33/42/1166793342.db2.gz XJCSWEQVVKPICH-MRVPVSSYSA-N -2 3 321.728 0.636 20 0 DCADHL C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C(=O)[O-] ZINC001590267244 1166831962 /nfs/dbraw/zinc/83/19/62/1166831962.db2.gz MRGIDXMOWPVYDK-YUMQZZPRSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C(=O)[O-] ZINC001590267244 1166831971 /nfs/dbraw/zinc/83/19/71/1166831971.db2.gz MRGIDXMOWPVYDK-YUMQZZPRSA-N -2 3 304.310 0.378 20 0 DCADHL COCCO[N-]C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591440174 1167288951 /nfs/dbraw/zinc/28/89/51/1167288951.db2.gz ZRMWXLBCQWMIDK-UHFFFAOYSA-N -2 3 323.328 0.978 20 0 DCADHL COCCO[N-]C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591440174 1167288958 /nfs/dbraw/zinc/28/89/58/1167288958.db2.gz ZRMWXLBCQWMIDK-UHFFFAOYSA-N -2 3 323.328 0.978 20 0 DCADHL CO[N-]C(=O)CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001591466453 1167299568 /nfs/dbraw/zinc/29/95/68/1167299568.db2.gz MJCZNJJAGOMINN-UHFFFAOYSA-N -2 3 305.323 0.566 20 0 DCADHL CO[N-]C(=O)CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001591466453 1167299571 /nfs/dbraw/zinc/29/95/71/1167299571.db2.gz MJCZNJJAGOMINN-UHFFFAOYSA-N -2 3 305.323 0.566 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1Cn1[n-]c(SC)nc1=O ZINC001591487439 1167312345 /nfs/dbraw/zinc/31/23/45/1167312345.db2.gz FAFQAHIJVVXWIP-UHFFFAOYSA-N -2 3 319.350 0.530 20 0 DCADHL Cc1ccc2ncc(-c3nnn[n-]3)c(NCc3n[nH]c(=O)[n-]3)c2c1 ZINC001592209090 1167475321 /nfs/dbraw/zinc/47/53/21/1167475321.db2.gz SGKJYMIXEHWUEJ-UHFFFAOYSA-N -2 3 323.320 0.581 20 0 DCADHL Cc1ccc2ncc(-c3nn[n-]n3)c(NCc3n[nH]c(=O)[n-]3)c2c1 ZINC001592209090 1167475323 /nfs/dbraw/zinc/47/53/23/1167475323.db2.gz SGKJYMIXEHWUEJ-UHFFFAOYSA-N -2 3 323.320 0.581 20 0 DCADHL Cc1csc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)n1 ZINC001592321587 1167488954 /nfs/dbraw/zinc/48/89/54/1167488954.db2.gz SLGKYMADOWRVTG-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1csc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)n1 ZINC001592321587 1167488958 /nfs/dbraw/zinc/48/89/58/1167488958.db2.gz SLGKYMADOWRVTG-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cn1[n-]cc2c(=NC(=O)c3coc(-c4nnn[n-]4)c3)ccnc1-2 ZINC001592544103 1167550202 /nfs/dbraw/zinc/55/02/02/1167550202.db2.gz IRLTVTJZLXFNAA-UHFFFAOYSA-N -2 3 310.277 0.367 20 0 DCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]O[C@H]1CCCCO1 ZINC001592891706 1167658936 /nfs/dbraw/zinc/65/89/36/1167658936.db2.gz RFRKFDFJTSKKHL-ZDUSSCGKSA-N -2 3 319.321 0.820 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)o1 ZINC001593489784 1167870769 /nfs/dbraw/zinc/87/07/69/1167870769.db2.gz IBXHKQAAURUURJ-MRVPVSSYSA-N -2 3 314.309 0.734 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)o1 ZINC001593489784 1167870792 /nfs/dbraw/zinc/87/07/92/1167870792.db2.gz IBXHKQAAURUURJ-MRVPVSSYSA-N -2 3 314.309 0.734 20 0 DCADHL O=c1cc(CSc2ncco2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593539643 1167922349 /nfs/dbraw/zinc/92/23/49/1167922349.db2.gz ZKDDDXHPUMVCBE-UHFFFAOYSA-N -2 3 316.306 0.895 20 0 DCADHL Cc1nc(CS(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])no1 ZINC001600704643 1168258368 /nfs/dbraw/zinc/25/83/68/1168258368.db2.gz SPGNIKRTWOCPJX-RXMQYKEDSA-N -2 3 317.245 0.203 20 0 DCADHL Cn1cc(-n2cc(C(=O)[N-]OCCCC(=O)[O-])ccc2=O)cn1 ZINC001600926576 1168510172 /nfs/dbraw/zinc/51/01/72/1168510172.db2.gz PIAOECONMQLJRG-UHFFFAOYSA-N -2 3 320.305 0.097 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-] ZINC001600995448 1168553543 /nfs/dbraw/zinc/55/35/43/1168553543.db2.gz SJWJWQPSEGVFBP-SNVBAGLBSA-N -2 3 316.383 0.517 20 0 DCADHL Cn1nc(C(F)(F)F)cc1CN(CCC(=O)[O-])CC(=O)[O-] ZINC001601019478 1168567031 /nfs/dbraw/zinc/56/70/31/1168567031.db2.gz DBWHEXKDDSBDAZ-UHFFFAOYSA-N -2 3 309.244 0.800 20 0 DCADHL O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC001601757552 1168855808 /nfs/dbraw/zinc/85/58/08/1168855808.db2.gz HEEINDMOEQBJTF-PWSUYJOCSA-N -2 3 317.301 0.386 20 0 DCADHL O=C([O-])c1ccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)nc1 ZINC001602319614 1169058282 /nfs/dbraw/zinc/05/82/82/1169058282.db2.gz MSXLYXDEVCYBJR-UHFFFAOYSA-N -2 3 300.274 0.474 20 0 DCADHL O=C([O-])c1cnc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001602508611 1169103493 /nfs/dbraw/zinc/10/34/93/1169103493.db2.gz VUNKDXWBJAFQJH-UHFFFAOYSA-N -2 3 311.261 0.607 20 0 DCADHL O=C([O-])c1cnc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001602508611 1169103494 /nfs/dbraw/zinc/10/34/94/1169103494.db2.gz VUNKDXWBJAFQJH-UHFFFAOYSA-N -2 3 311.261 0.607 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c1 ZINC001602556996 1169116582 /nfs/dbraw/zinc/11/65/82/1169116582.db2.gz OEKQFRQEIUZWPG-GFCCVEGCSA-N -2 3 319.335 0.045 20 0 DCADHL CC(C)(C)[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC001603308850 1169290933 /nfs/dbraw/zinc/29/09/33/1169290933.db2.gz AJESKHOXSXBACP-LBPRGKRZSA-N -2 3 308.334 0.738 20 0 DCADHL CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603907398 1169429496 /nfs/dbraw/zinc/42/94/96/1169429496.db2.gz DTBXUPMITWMUGB-MRVPVSSYSA-N -2 3 319.335 0.844 20 0 DCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001604011271 1169471254 /nfs/dbraw/zinc/47/12/54/1169471254.db2.gz HINOEEMJDJMOBQ-ZCFIWIBFSA-N -2 3 312.355 0.361 20 0 DCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001604011271 1169471257 /nfs/dbraw/zinc/47/12/57/1169471257.db2.gz HINOEEMJDJMOBQ-ZCFIWIBFSA-N -2 3 312.355 0.361 20 0 DCADHL CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1)C(=O)[O-] ZINC001604499492 1169604517 /nfs/dbraw/zinc/60/45/17/1169604517.db2.gz AHKOAKRVPFSVLS-VIFPVBQESA-N -2 3 305.294 0.468 20 0 DCADHL CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1)C(=O)[O-] ZINC001604499492 1169604522 /nfs/dbraw/zinc/60/45/22/1169604522.db2.gz AHKOAKRVPFSVLS-VIFPVBQESA-N -2 3 305.294 0.468 20 0 DCADHL CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001604499915 1169606677 /nfs/dbraw/zinc/60/66/77/1169606677.db2.gz QATQGCIUFXHRGB-JTQLQIEISA-N -2 3 305.294 0.225 20 0 DCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c2ncnn21 ZINC001604676815 1169651986 /nfs/dbraw/zinc/65/19/86/1169651986.db2.gz NAGQCKMQDZUYRT-POYBYMJQSA-N -2 3 312.307 0.554 20 0 DCADHL CC[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)[C@@H](C)C(=O)[O-] ZINC001605115141 1169832097 /nfs/dbraw/zinc/83/20/97/1169832097.db2.gz YPBQLENDHJBSBP-UTLUCORTSA-N -2 3 323.411 0.993 20 0 DCADHL CC[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)[C@H](C)C(=O)[O-] ZINC001605115138 1169833120 /nfs/dbraw/zinc/83/31/20/1169833120.db2.gz YPBQLENDHJBSBP-GUBZILKMSA-N -2 3 323.411 0.993 20 0 DCADHL Cc1nc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001606024775 1170054932 /nfs/dbraw/zinc/05/49/32/1170054932.db2.gz ZHBGWJSOBKFQNL-CQSZACIVSA-N -2 3 316.321 0.507 20 0 DCADHL Cc1nc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001606024775 1170054934 /nfs/dbraw/zinc/05/49/34/1170054934.db2.gz ZHBGWJSOBKFQNL-CQSZACIVSA-N -2 3 316.321 0.507 20 0 DCADHL CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606262020 1170139119 /nfs/dbraw/zinc/13/91/19/1170139119.db2.gz JXEVQIGMOYJLGB-HTQZYQBOSA-N -2 3 316.335 0.171 20 0 DCADHL COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001606468219 1170215351 /nfs/dbraw/zinc/21/53/51/1170215351.db2.gz RPQVSDQBGXVQRB-UHFFFAOYSA-N -2 3 309.274 0.295 20 0 DCADHL COCC[C@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606852518 1170314007 /nfs/dbraw/zinc/31/40/07/1170314007.db2.gz LTCCPTBUSFDYND-ZETCQYMHSA-N -2 3 308.381 0.792 20 0 DCADHL O=C([N-]N1CCOC1=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001606850995 1170314435 /nfs/dbraw/zinc/31/44/35/1170314435.db2.gz WQRQKAXDQVQGKD-UHFFFAOYSA-N -2 3 310.220 0.242 20 0 DCADHL O=C([N-]N1CCOC1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606850995 1170314436 /nfs/dbraw/zinc/31/44/36/1170314436.db2.gz WQRQKAXDQVQGKD-UHFFFAOYSA-N -2 3 310.220 0.242 20 0 DCADHL COc1cccc([O-])c1C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001607326536 1170428394 /nfs/dbraw/zinc/42/83/94/1170428394.db2.gz JKROJPCQLRPDDY-MGPLVRAMSA-N -2 3 321.329 0.964 20 0 DCADHL 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C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nn(C)cc1[O-] ZINC001570920021 948594379 /nfs/dbraw/zinc/59/43/79/948594379.db2.gz FIBXNAZNTQERBF-QMMMGPOBSA-N -2 3 313.321 0.797 20 0 DCADHL C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nn(C)cc1[O-] ZINC001365121351 950556889 /nfs/dbraw/zinc/55/68/89/950556889.db2.gz SGONJRFIJKSGAR-SSDOTTSWSA-N -2 3 303.322 0.990 20 0 DCADHL O=C([O-])Cn1cnc([N-]C(=O)c2cnn(-c3ccccc3)n2)n1 ZINC001595160185 952190472 /nfs/dbraw/zinc/19/04/72/952190472.db2.gz GKCSSURSDSWVKL-UHFFFAOYSA-N -2 3 313.277 0.196 20 0 DCADHL CCS(=O)(CC)=NS(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC001593460190 953371191 /nfs/dbraw/zinc/37/11/91/953371191.db2.gz KMCOODOTUQSSII-UHFFFAOYSA-N -2 3 314.429 0.830 20 0 DCADHL O=C([O-])c1ccnc(NC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001594757353 953476972 /nfs/dbraw/zinc/47/69/72/953476972.db2.gz WUJNYPWPYZHJMY-VIFPVBQESA-N -2 3 305.294 0.413 20 0 DCADHL O=C([O-])C1(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCOCC1 ZINC001594845953 954146109 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CC(C)[C@H](NC(=O)[O-])C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001573495038 1163452432 /nfs/dbraw/zinc/45/24/32/1163452432.db2.gz SPNJIYAMRZJDGY-NSHDSACASA-N -2 3 308.338 0.968 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-]C[C@H](CC(C)C)NC(=O)[O-] ZINC001574204962 1163661499 /nfs/dbraw/zinc/66/14/99/1163661499.db2.gz HAPBNTOKEFJTRI-VIFPVBQESA-N -2 3 305.356 0.944 20 0 DCADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001574309528 1163693845 /nfs/dbraw/zinc/69/38/45/1163693845.db2.gz XUKUNFFMTCAUTC-JTQLQIEISA-N -2 3 302.294 0.245 20 0 DCADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001574309528 1163693851 /nfs/dbraw/zinc/69/38/51/1163693851.db2.gz XUKUNFFMTCAUTC-JTQLQIEISA-N -2 3 302.294 0.245 20 0 DCADHL C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)n1C)c1nn(C)cc1[O-] ZINC001575326072 1163976616 /nfs/dbraw/zinc/97/66/16/1163976616.db2.gz HWPWXAXSADZYEQ-ZETCQYMHSA-N -2 3 316.325 0.135 20 0 DCADHL O=c1cc(CN2CCC[C@H](F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001582814704 1166093417 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ZINC001601943264 1168944131 /nfs/dbraw/zinc/94/41/31/1168944131.db2.gz FQFWPJUYZGHKQQ-UHFFFAOYSA-N -2 3 321.259 0.876 20 0 DCADHL O=C([O-])c1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)on1 ZINC001602247422 1169041718 /nfs/dbraw/zinc/04/17/18/1169041718.db2.gz NSQSYQYUYALXTC-UHFFFAOYSA-N -2 3 304.262 0.676 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC32CCC2)o1 ZINC001602401624 1169073437 /nfs/dbraw/zinc/07/34/37/1169073437.db2.gz HEEYNPZEYKWYGO-ISVAXAHUSA-N -2 3 313.331 0.968 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC001602506807 1169100914 /nfs/dbraw/zinc/10/09/14/1169100914.db2.gz SFBQHIAJRHVKTL-QMMMGPOBSA-N -2 3 323.330 0.562 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1COCc2ccccc21 ZINC001602507012 1169101885 /nfs/dbraw/zinc/10/18/85/1169101885.db2.gz XURIWYGRULZZOA-LLVKDONJSA-N -2 3 323.330 0.658 20 0 DCADHL C[C@@H](CNC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603535723 1169318908 /nfs/dbraw/zinc/31/89/08/1169318908.db2.gz OSJQJNHGWNJJIQ-QMMMGPOBSA-N -2 3 304.310 0.387 20 0 DCADHL C[C@@H](CNC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603535723 1169318913 /nfs/dbraw/zinc/31/89/13/1169318913.db2.gz OSJQJNHGWNJJIQ-QMMMGPOBSA-N -2 3 304.310 0.387 20 0 DCADHL CC(C)([N-]S(=O)(=O)c1cccnc1Cl)[C@@H](O)C(=O)[O-] ZINC001603686152 1169352481 /nfs/dbraw/zinc/35/24/81/1169352481.db2.gz OUASTVNEWNAQLV-ZETCQYMHSA-N -2 3 308.743 0.237 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603704911 1169366752 /nfs/dbraw/zinc/36/67/52/1169366752.db2.gz MXYBMTAHDQOYSU-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603704911 1169366761 /nfs/dbraw/zinc/36/67/61/1169366761.db2.gz MXYBMTAHDQOYSU-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL CC[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)n1)OC ZINC001604039606 1169476569 /nfs/dbraw/zinc/47/65/69/1169476569.db2.gz MKVYFFSXHWLFQP-QMMMGPOBSA-N -2 3 312.355 0.428 20 0 DCADHL CC[C@@H](CS(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)n1)OC ZINC001604039606 1169476576 /nfs/dbraw/zinc/47/65/76/1169476576.db2.gz MKVYFFSXHWLFQP-QMMMGPOBSA-N -2 3 312.355 0.428 20 0 DCADHL C[C@]1(CS(=O)(=O)[N-]C[C@H](F)C(=O)[O-])CC1(Cl)Cl ZINC001604582659 1169623985 /nfs/dbraw/zinc/62/39/85/1169623985.db2.gz CNLJVBDNBAVLBE-CAHLUQPWSA-N -2 3 308.158 0.912 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001604616267 1169632211 /nfs/dbraw/zinc/63/22/11/1169632211.db2.gz NPQINRXSIKXLLT-LLVKDONJSA-N -2 3 303.318 0.935 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC)C(=O)[O-] ZINC001605354794 1169903008 /nfs/dbraw/zinc/90/30/08/1169903008.db2.gz SNJDJFSNQMVMJA-SSDOTTSWSA-N -2 3 319.339 0.036 20 0 DCADHL Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)nnn1C ZINC001605499010 1169940766 /nfs/dbraw/zinc/94/07/66/1169940766.db2.gz SGXRFKPTHNDJQN-UHFFFAOYSA-N -2 3 300.282 0.262 20 0 DCADHL Cc1cccc(F)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC001605916764 1170026883 /nfs/dbraw/zinc/02/68/83/1170026883.db2.gz UPPZANWTIIWMND-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c1-c1nnn[n-]1 ZINC001605959008 1170038574 /nfs/dbraw/zinc/03/85/74/1170038574.db2.gz STLXWFCAQKKDSF-DJLDLDEBSA-N -2 3 304.310 0.206 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c1-c1nn[n-]n1 ZINC001605959008 1170038579 /nfs/dbraw/zinc/03/85/79/1170038579.db2.gz STLXWFCAQKKDSF-DJLDLDEBSA-N -2 3 304.310 0.206 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c1-c1nnn[n-]1 ZINC001605959011 1170038687 /nfs/dbraw/zinc/03/86/87/1170038687.db2.gz STLXWFCAQKKDSF-YIZRAAEISA-N -2 3 304.310 0.206 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c1-c1nn[n-]n1 ZINC001605959011 1170038689 /nfs/dbraw/zinc/03/86/89/1170038689.db2.gz STLXWFCAQKKDSF-YIZRAAEISA-N -2 3 304.310 0.206 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC001606263481 1170140460 /nfs/dbraw/zinc/14/04/60/1170140460.db2.gz SPLJNPZCLUTTMG-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC001606263481 1170140461 /nfs/dbraw/zinc/14/04/61/1170140461.db2.gz SPLJNPZCLUTTMG-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL COC(=O)[C@@H](C)[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001606501229 1170220990 /nfs/dbraw/zinc/22/09/90/1170220990.db2.gz OIMAFBYPUADWCQ-SECBINFHSA-N -2 3 307.368 0.502 20 0 DCADHL O=C([N-]OC/C=C/Cl)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606863325 1170316512 /nfs/dbraw/zinc/31/65/12/1170316512.db2.gz VOYBRTOZIFRELV-OZNLJZBPSA-N -2 3 309.713 0.700 20 0 DCADHL O=C([N-]OC/C=C/Cl)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606863325 1170316519 /nfs/dbraw/zinc/31/65/19/1170316519.db2.gz VOYBRTOZIFRELV-OZNLJZBPSA-N -2 3 309.713 0.700 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001606863195 1170317199 /nfs/dbraw/zinc/31/71/99/1170317199.db2.gz TVHCVBSQIIDIPR-UHFFFAOYSA-N -2 3 316.321 0.653 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001606863195 1170317205 /nfs/dbraw/zinc/31/72/05/1170317205.db2.gz TVHCVBSQIIDIPR-UHFFFAOYSA-N -2 3 316.321 0.653 20 0 DCADHL O=C([O-])CN1CC[C@H](Oc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC001606957404 1170338218 /nfs/dbraw/zinc/33/82/18/1170338218.db2.gz DFHWSHKAXVJPGZ-JTQLQIEISA-N -2 3 321.268 0.070 20 0 DCADHL O=C([O-])CN1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC001606957404 1170338225 /nfs/dbraw/zinc/33/82/25/1170338225.db2.gz DFHWSHKAXVJPGZ-JTQLQIEISA-N -2 3 321.268 0.070 20 0 DCADHL O=C([N-]n1ccccc1=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001606961156 1170340652 /nfs/dbraw/zinc/34/06/52/1170340652.db2.gz XIVGFCPWMQXPEQ-UHFFFAOYSA-N -2 3 317.696 0.461 20 0 DCADHL O=C([N-]n1ccccc1=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001606961156 1170340657 /nfs/dbraw/zinc/34/06/57/1170340657.db2.gz XIVGFCPWMQXPEQ-UHFFFAOYSA-N -2 3 317.696 0.461 20 0 DCADHL COc1cccc([O-])c1C(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607326974 1170428726 /nfs/dbraw/zinc/42/87/26/1170428726.db2.gz ZPKUALUHNYXKHI-HNNXBMFYSA-N -2 3 320.301 0.846 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)cc1C(=O)[O-] ZINC001608057161 1170560935 /nfs/dbraw/zinc/56/09/35/1170560935.db2.gz XSYKMEKEMGGVBM-UHFFFAOYSA-N -3 3 317.319 0.819 20 0 DCADHL O=C([O-])c1ccccc1CCC(=O)[N-]OCCN1CCCC1=O ZINC001608318365 1170648329 /nfs/dbraw/zinc/64/83/29/1170648329.db2.gz JYVIMGFLVVGFIL-UHFFFAOYSA-N -2 3 320.345 0.988 20 0 DCADHL O=C([O-])[C@@]1(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCOC1 ZINC001608427792 1170675593 /nfs/dbraw/zinc/67/55/93/1170675593.db2.gz FIVUUTKLYYZJJL-CQSZACIVSA-N -2 3 307.306 0.281 20 0 DCADHL O=C([O-])C1(CNC(=O)c2cccc3n[n-]nc32)CCOCC1 ZINC001608427881 1170676085 /nfs/dbraw/zinc/67/60/85/1170676085.db2.gz QPSJYIVBXGDFBH-UHFFFAOYSA-N -2 3 304.306 0.569 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC001608606201 1170716109 /nfs/dbraw/zinc/71/61/09/1170716109.db2.gz SSYNCWDDEJMDBF-SFYZADRCSA-N -2 3 309.274 0.029 20 0 DCADHL O=C([O-])CCC1CCN([C@@H]2CCN(CCC(=O)[O-])C2=O)CC1 ZINC001608708309 1170741551 /nfs/dbraw/zinc/74/15/51/1170741551.db2.gz BZGOCDJJZZQELO-GFCCVEGCSA-N -2 3 312.366 0.639 20 0 DCADHL O=C([O-])c1ccc(CNCc2nc3c(c(=O)[n-]2)COCC3)[nH]1 ZINC001608887161 1170769118 /nfs/dbraw/zinc/76/91/18/1170769118.db2.gz FGLQDIXALRNPOA-UHFFFAOYSA-N -2 3 304.306 0.571 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1cncc(F)c1 ZINC001609005190 1170784525 /nfs/dbraw/zinc/78/45/25/1170784525.db2.gz MLHQVDXMUKQNOG-UHFFFAOYSA-N -2 3 317.323 0.854 20 0 DCADHL O=C([O-])c1occc1CNCc1nc2c(c(=O)[n-]1)COCC2 ZINC001609006126 1170784658 /nfs/dbraw/zinc/78/46/58/1170784658.db2.gz SAMDWFUSXKRIAD-UHFFFAOYSA-N -2 3 305.290 0.836 20 0 DCADHL CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609182712 1170852124 /nfs/dbraw/zinc/85/21/24/1170852124.db2.gz NKSDUIUVQHTPNI-UHFFFAOYSA-N -2 3 324.366 0.503 20 0 DCADHL CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609182712 1170852134 /nfs/dbraw/zinc/85/21/34/1170852134.db2.gz NKSDUIUVQHTPNI-UHFFFAOYSA-N -2 3 324.366 0.503 20 0 DCADHL CCc1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)CCOC)s1 ZINC001609250735 1170899378 /nfs/dbraw/zinc/89/93/78/1170899378.db2.gz YDDDJWGKVXWACW-UHFFFAOYSA-N -2 3 317.396 0.879 20 0 DCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001609351415 1170947983 /nfs/dbraw/zinc/94/79/83/1170947983.db2.gz OVHSVOJKAHXJGB-UHFFFAOYSA-N -2 3 321.322 0.399 20 0 DCADHL CC(C)n1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nn1 ZINC001609723927 1171074222 /nfs/dbraw/zinc/07/42/22/1171074222.db2.gz CQGNFBIUSFIUIV-UHFFFAOYSA-N -2 3 310.339 0.980 20 0 DCADHL C[C@H](CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])CC(=O)[O-] ZINC001609739456 1171076623 /nfs/dbraw/zinc/07/66/23/1171076623.db2.gz PYBIIHJXGVTSGG-ZCFIWIBFSA-N -3 3 322.364 0.621 20 0 DCADHL COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001610223174 1171199852 /nfs/dbraw/zinc/19/98/52/1171199852.db2.gz MCPXZIJBZVKNNT-ZETCQYMHSA-N -2 3 319.383 0.898 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O)c1C(=O)[O-] ZINC001610549498 1171252275 /nfs/dbraw/zinc/25/22/75/1171252275.db2.gz CQMUFDIEGTUFNO-ZETCQYMHSA-N -2 3 319.383 0.492 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-]c2ccncc2C(=O)[O-])c1Cl ZINC001610611555 1171266765 /nfs/dbraw/zinc/26/67/65/1171266765.db2.gz XYYGYKJEGONJES-UHFFFAOYSA-N -2 3 316.726 0.389 20 0 DCADHL O=C([O-])C1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001610743557 1171305717 /nfs/dbraw/zinc/30/57/17/1171305717.db2.gz AVWDBBAQVMXTES-UHFFFAOYSA-N -2 3 321.259 0.830 20 0 DCADHL Cc1ccc([O-])c(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)n1 ZINC001635376677 1171701169 /nfs/dbraw/zinc/70/11/69/1171701169.db2.gz CVWXCPDWKBKOGH-UHFFFAOYSA-N -2 3 311.305 0.736 20 0 DCADHL COc1cccc([O-])c1C(=O)NCCn1cnc(C(=O)[O-])c1 ZINC000404638242 1190207625 /nfs/dbraw/zinc/20/76/25/1190207625.db2.gz BCQQYKOWTQHGRA-UHFFFAOYSA-N -2 3 305.290 0.726 20 0 DCADHL NC(=O)c1ccccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001148536332 768009538 /nfs/dbraw/zinc/00/95/38/768009538.db2.gz TVHQFAODTDNPHE-UHFFFAOYSA-N -2 3 300.251 0.473 20 0 DCADHL CN(C)C1CN(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])C1 ZINC001148914730 768048770 /nfs/dbraw/zinc/04/87/70/768048770.db2.gz DFNUPMUUXJOKGT-UHFFFAOYSA-N -2 3 300.336 0.025 20 0 DCADHL O=C(C(=O)N1CCC(c2nnn[n-]2)CC1)c1ccc([O-])cc1 ZINC001152486295 769576228 /nfs/dbraw/zinc/57/62/28/769576228.db2.gz NMIKBKWHXIWINW-UHFFFAOYSA-N -2 3 301.306 0.494 20 0 DCADHL O=C(C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc([O-])cc1 ZINC001152486295 769576235 /nfs/dbraw/zinc/57/62/35/769576235.db2.gz NMIKBKWHXIWINW-UHFFFAOYSA-N -2 3 301.306 0.494 20 0 DCADHL CN(CC(=O)NCCCCP(=O)([O-])[O-])c1ccccn1 ZINC001177413736 770445552 /nfs/dbraw/zinc/44/55/52/770445552.db2.gz IMUFUXRDICFDRJ-UHFFFAOYSA-N -2 3 301.283 0.592 20 0 DCADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1CCc2n[nH]cc2C1 ZINC001180177061 771068587 /nfs/dbraw/zinc/06/85/87/771068587.db2.gz ZFCSMDFYDYRPCU-LURJTMIESA-N -2 3 309.219 0.738 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182461453 771494331 /nfs/dbraw/zinc/49/43/31/771494331.db2.gz IRFOJSGHDJEDLL-NSHDSACASA-N -2 3 318.310 0.319 20 0 DCADHL Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565485 771929161 /nfs/dbraw/zinc/92/91/61/771929161.db2.gz BBQJITRGGXFCFF-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565485 771929163 /nfs/dbraw/zinc/92/91/63/771929163.db2.gz BBQJITRGGXFCFF-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL CCOCCS(=O)(=O)[N-]c1nc(N(C)C)[n-]c(=O)c1N=O ZINC001187250038 772162270 /nfs/dbraw/zinc/16/22/70/772162270.db2.gz KWJPKWYWVKZLEV-UHFFFAOYSA-N -2 3 319.343 0.424 20 0 DCADHL Cn1nc(C2CC2)cc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001189412116 772471315 /nfs/dbraw/zinc/47/13/15/772471315.db2.gz IFUQCOZIMUVAGV-UHFFFAOYSA-N -2 3 301.283 0.985 20 0 DCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1ncc[n-]1)c1cccnc1 ZINC001190755286 772666122 /nfs/dbraw/zinc/66/61/22/772666122.db2.gz OMVJXGOKJWKJQY-SNVBAGLBSA-N -2 3 310.335 0.387 20 0 DCADHL CN(C)c1cncc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001193822929 773115938 /nfs/dbraw/zinc/11/59/38/773115938.db2.gz WZMDEBSHHQGWNH-UHFFFAOYSA-N -2 3 301.283 0.835 20 0 DCADHL COc1ccc(F)c(S(=O)(=O)NCCP(=O)([O-])[O-])c1 ZINC001196785050 773647849 /nfs/dbraw/zinc/64/78/49/773647849.db2.gz PIFIKPIAEIPRCC-UHFFFAOYSA-N -2 3 313.243 0.290 20 0 DCADHL CN(C)c1cccnc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001198236025 773882813 /nfs/dbraw/zinc/88/28/13/773882813.db2.gz MUIXILKEAXOUFT-UHFFFAOYSA-N -2 3 301.283 0.835 20 0 DCADHL CO[C@@H]1O[C@H](COCCP(=O)([O-])[O-])[C@H]2OC(C)(C)O[C@@H]12 ZINC001224607980 775589419 /nfs/dbraw/zinc/58/94/19/775589419.db2.gz XLMNBILZVFGWAG-ZYUZMQFOSA-N -2 3 312.255 0.072 20 0 DCADHL COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569167 775985828 /nfs/dbraw/zinc/98/58/28/775985828.db2.gz UONSCMXFFAEYPZ-IVZWLZJFSA-N -2 3 317.342 0.507 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(=O)N(C)C)oc1C(=O)[O-] ZINC001600300162 1168161088 /nfs/dbraw/zinc/16/10/88/1168161088.db2.gz AVYDSKMZSYWFGM-SSDOTTSWSA-N -2 3 304.324 0.041 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)cc1C(=O)[O-] ZINC001600856944 1168486528 /nfs/dbraw/zinc/48/65/28/1168486528.db2.gz CJSINEXSJLOIRJ-DTWKUNHWSA-N -2 3 303.336 0.724 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(F)cn2)c1 ZINC001602559055 1169118099 /nfs/dbraw/zinc/11/80/99/1169118099.db2.gz JXPPQIWLXOVALG-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL CSc1ncc(C(=O)N(Cc2nnn[n-]2)CC(C)C)c(=O)[n-]1 ZINC001413504999 943026370 /nfs/dbraw/zinc/02/63/70/943026370.db2.gz PRSMDDFXOYJGEX-UHFFFAOYSA-N -2 3 323.382 0.716 20 0 DCADHL CSc1ncc(C(=O)N(Cc2nn[n-]n2)CC(C)C)c(=O)[n-]1 ZINC001413504999 943026377 /nfs/dbraw/zinc/02/63/77/943026377.db2.gz PRSMDDFXOYJGEX-UHFFFAOYSA-N -2 3 323.382 0.716 20 0 DCADHL O=Nc1c(=O)[n-]c(=O)[nH]c1[N-]S(=O)(=O)CC(F)(F)F ZINC001253118343 946057643 /nfs/dbraw/zinc/05/76/43/946057643.db2.gz PJCBDKGUWLMSDQ-UHFFFAOYSA-N -2 3 302.190 0.590 20 0 DCADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCOC[C@H]2F)c1 ZINC001260218872 947083310 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O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000020304870 182205018 /nfs/dbraw/zinc/20/50/18/182205018.db2.gz KUQUFDWHYDXHCC-SSDOTTSWSA-N -2 3 313.253 0.429 20 0 DCADHL CS(=O)(=O)c1cccc([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000037464514 182896671 /nfs/dbraw/zinc/89/66/71/182896671.db2.gz HSRZHUHLFFVZMD-UHFFFAOYSA-N -2 3 307.349 0.307 20 0 DCADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-] ZINC000574514050 291699572 /nfs/dbraw/zinc/69/95/72/291699572.db2.gz GSOTYUYYMQBBSS-VIFPVBQESA-N -2 3 323.754 0.727 20 0 DCADHL COCCOCCS(=O)(=O)[N-]c1cc(OC)ccc1[O-] ZINC000339073425 253028211 /nfs/dbraw/zinc/02/82/11/253028211.db2.gz YEIZYIPYUXVFES-UHFFFAOYSA-N -2 3 305.352 0.806 20 0 DCADHL O=C(NCc1ccc([O-])c(F)c1)c1c[n-]n2c1nccc2=O ZINC000339355533 253071677 /nfs/dbraw/zinc/07/16/77/253071677.db2.gz IKHMUOHAUTWIGL-UHFFFAOYSA-N -2 3 302.265 0.797 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])cn1C ZINC000275323429 130304879 /nfs/dbraw/zinc/30/48/79/130304879.db2.gz 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ZINC000263501905 396219214 /nfs/dbraw/zinc/21/92/14/396219214.db2.gz TZZKYTILLVBNME-JTQLQIEISA-N -2 3 313.253 0.218 20 0 DCADHL CN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000263573206 396220572 /nfs/dbraw/zinc/22/05/72/396220572.db2.gz MAPLDCQJVMWIJP-NSHDSACASA-N -2 3 306.318 0.540 20 0 DCADHL COC(=O)CCCO[N-]C(=O)CNC(=O)c1cccc([O-])c1 ZINC000290694436 396470384 /nfs/dbraw/zinc/47/03/84/396470384.db2.gz QATCLBXZCKXQES-UHFFFAOYSA-N -2 3 310.306 0.123 20 0 DCADHL CCOC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)[O-] ZINC000290748826 396471486 /nfs/dbraw/zinc/47/14/86/396471486.db2.gz YBHWKIVZEVSHRQ-NSHDSACASA-N -2 3 323.317 0.874 20 0 DCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cnn(C)c2C)c[n-]1 ZINC000589976788 396732959 /nfs/dbraw/zinc/73/29/59/396732959.db2.gz XGKQGHFZURZAIO-UHFFFAOYSA-N -2 3 313.339 0.429 20 0 DCADHL CC(C)[C@H](O)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000564920618 396899132 /nfs/dbraw/zinc/89/91/32/396899132.db2.gz JIWTZMDNWQFENF-SSDOTTSWSA-N -2 3 308.381 0.527 20 0 DCADHL CCOC(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)n[n-]1 ZINC000592353829 397159426 /nfs/dbraw/zinc/15/94/26/397159426.db2.gz ZBWZKRBBTDBWGX-SNVBAGLBSA-N -2 3 319.383 0.999 20 0 DCADHL C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000386855887 397290898 /nfs/dbraw/zinc/29/08/98/397290898.db2.gz YUEMKUURCMAWRB-YUMQZZPRSA-N -2 3 320.392 0.935 20 0 DCADHL CC(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000579473734 397572952 /nfs/dbraw/zinc/57/29/52/397572952.db2.gz JKAPLUYIMPDXIQ-NSHDSACASA-N -2 3 304.302 0.799 20 0 DCADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)CC1(OC)CCCC1)C(=O)[O-] ZINC000579578316 397580577 /nfs/dbraw/zinc/58/05/77/397580577.db2.gz TWGLZNRBOILJGO-GHMZBOCLSA-N -2 3 323.411 0.479 20 0 DCADHL C[C@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000054310123 158020222 /nfs/dbraw/zinc/02/02/22/158020222.db2.gz RGXNPCLSVHHISU-MRVPVSSYSA-N -2 3 300.336 0.509 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000343288967 415530935 /nfs/dbraw/zinc/53/09/35/415530935.db2.gz ZHXJDXYGYLDJCA-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000343288967 415530940 /nfs/dbraw/zinc/53/09/40/415530940.db2.gz ZHXJDXYGYLDJCA-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000424232871 416630786 /nfs/dbraw/zinc/63/07/86/416630786.db2.gz CSTDXUDKFQIEOR-NSHDSACASA-N -2 3 313.331 0.024 20 0 DCADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]CC(F)F ZINC000518543982 416863195 /nfs/dbraw/zinc/86/31/95/416863195.db2.gz ZMWLVHIJNRRLOI-UHFFFAOYSA-N -2 3 309.290 0.866 20 0 DCADHL CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](CF)C(=O)[O-])no1 ZINC000517932278 416831307 /nfs/dbraw/zinc/83/13/07/416831307.db2.gz HDFYNMBOHTUSQE-MRVPVSSYSA-N -2 3 308.331 0.814 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1 ZINC000565829172 417021517 /nfs/dbraw/zinc/02/15/17/417021517.db2.gz YDHDCWAXFPLWGR-LLVKDONJSA-N -2 3 304.324 0.204 20 0 DCADHL C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000393587544 417104282 /nfs/dbraw/zinc/10/42/82/417104282.db2.gz WWYWRPAIGSIHCO-SSDOTTSWSA-N -2 3 322.408 0.917 20 0 DCADHL O=C(c1c(F)ccc([O-])c1F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000408206532 417148034 /nfs/dbraw/zinc/14/80/34/417148034.db2.gz UJVXTDALVJKUEM-SSDOTTSWSA-N -2 3 311.244 0.047 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000568980467 417200893 /nfs/dbraw/zinc/20/08/93/417200893.db2.gz YCONZWAJHSYWEL-VIFPVBQESA-N -2 3 317.367 0.736 20 0 DCADHL CCn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC000530149039 417543426 /nfs/dbraw/zinc/54/34/26/417543426.db2.gz BQYBFDGYDGFXSR-UHFFFAOYSA-N -2 3 314.323 0.376 20 0 DCADHL Cc1cnc(C[N-]S(=O)(=O)c2c(C(=O)[O-])cnn2C)s1 ZINC000530153066 417544660 /nfs/dbraw/zinc/54/46/60/417544660.db2.gz IDORMMOIUCKEPA-UHFFFAOYSA-N -2 3 316.364 0.362 20 0 DCADHL CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000530152848 417545281 /nfs/dbraw/zinc/54/52/81/417545281.db2.gz MXWVEIBVWQTRSD-KRTXAFLBSA-N -2 3 301.320 0.824 20 0 DCADHL CCn1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000530153447 417545733 /nfs/dbraw/zinc/54/57/33/417545733.db2.gz VKOUEHVJWZQIAI-UHFFFAOYSA-N -2 3 300.296 0.068 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1cn(C(C)C)cn1)CC(=O)[O-] ZINC000530541074 417583774 /nfs/dbraw/zinc/58/37/74/417583774.db2.gz CRHPHAHFRWLSNX-SECBINFHSA-N -2 3 305.356 0.232 20 0 DCADHL CO[C@H](C)CS(=O)(=O)[N-]Cc1nc(C)c(C(=O)[O-])s1 ZINC000646037386 417857419 /nfs/dbraw/zinc/85/74/19/417857419.db2.gz LAXMDVVTISZBTK-ZCFIWIBFSA-N -2 3 308.381 0.604 20 0 DCADHL CC(C)C[C@H](CNC(=O)C(=O)[N-]c1cnns1)CC(=O)[O-] ZINC000659068211 418053552 /nfs/dbraw/zinc/05/35/52/418053552.db2.gz OQGQNIHJIZWALP-QMMMGPOBSA-N -2 3 314.367 0.730 20 0 DCADHL CC[C@@H](C(=O)[O-])N(C)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000653339382 418059601 /nfs/dbraw/zinc/05/96/01/418059601.db2.gz DQERRMKYUYGKQX-QMMMGPOBSA-N -2 3 320.392 0.348 20 0 DCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000654777244 418187249 /nfs/dbraw/zinc/18/72/49/418187249.db2.gz PQTVXEIUOZFHGY-SECBINFHSA-N -2 3 319.383 0.312 20 0 DCADHL COc1ccc(F)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1 ZINC000650421103 418309517 /nfs/dbraw/zinc/30/95/17/418309517.db2.gz GNRUKMGCNSRWES-UHFFFAOYSA-N -2 3 303.311 0.977 20 0 DCADHL C[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585214 418278694 /nfs/dbraw/zinc/27/86/94/418278694.db2.gz VDLNRJCLWKDXTO-LYFYHCNISA-N -2 3 324.337 0.335 20 0 DCADHL O=C([O-])c1conc1C[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000656164382 418332936 /nfs/dbraw/zinc/33/29/36/418332936.db2.gz HGTLPZZSRAJVLK-QMMMGPOBSA-N -2 3 304.324 0.361 20 0 DCADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-])C1CC1 ZINC000656168665 418333300 /nfs/dbraw/zinc/33/33/00/418333300.db2.gz SRSIJJQLGNFBSD-UWVGGRQHSA-N -2 3 303.336 0.826 20 0 DCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])c1 ZINC000656724178 418373657 /nfs/dbraw/zinc/37/36/57/418373657.db2.gz KJYZNORPQXLWQL-NSHDSACASA-N -2 3 307.347 0.945 20 0 DCADHL CCn1cc(S(=O)(=O)[N-]Cc2ccoc2C(=O)[O-])nc1C ZINC000656726209 418373855 /nfs/dbraw/zinc/37/38/55/418373855.db2.gz YMBITHIQUZGQKG-UHFFFAOYSA-N -2 3 313.335 0.981 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c[nH]1 ZINC000362959064 262090075 /nfs/dbraw/zinc/09/00/75/262090075.db2.gz XGBLIIWAQPEYDO-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000362959064 262090078 /nfs/dbraw/zinc/09/00/78/262090078.db2.gz XGBLIIWAQPEYDO-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL CC(=O)c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc1[O-] ZINC000412153736 271237218 /nfs/dbraw/zinc/23/72/18/271237218.db2.gz HWEKWHCWDPWGPX-UHFFFAOYSA-N -2 3 304.306 0.781 20 0 DCADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC000547548380 288056805 /nfs/dbraw/zinc/05/68/05/288056805.db2.gz JVHSILGMNVTKLU-RKDXNWHRSA-N -2 3 320.392 0.528 20 0 DCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@@H]1CCOC1 ZINC000547549057 288056871 /nfs/dbraw/zinc/05/68/71/288056871.db2.gz DSOJEHKFQJMOQH-RDDDGLTNSA-N -2 3 321.301 0.733 20 0 DCADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c1 ZINC000548220025 288122538 /nfs/dbraw/zinc/12/25/38/288122538.db2.gz VHRUHKAGGMGPPD-NSHDSACASA-N -2 3 301.368 0.681 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C(=O)[O-])n1 ZINC000564926683 288789846 /nfs/dbraw/zinc/78/98/46/288789846.db2.gz MFAMGASMQXLSQA-JOYOIKCWSA-N -2 3 301.368 0.732 20 0 DCADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@]1(C)CCOC1 ZINC000565831390 288881087 /nfs/dbraw/zinc/88/10/87/288881087.db2.gz NTDRTPPGGIFEFU-LLVKDONJSA-N -2 3 321.376 0.912 20 0 DCADHL Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000272529347 301123334 /nfs/dbraw/zinc/12/33/34/301123334.db2.gz IHRIHMAVRVKEHB-DTWKUNHWSA-N -2 3 317.349 0.567 20 0 DCADHL Cc1cc(C(=O)NC[C@H]2CCCN2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000266793182 301134525 /nfs/dbraw/zinc/13/45/25/301134525.db2.gz BOYONLSPWOHCCY-SECBINFHSA-N -2 3 317.349 0.568 20 0 DCADHL 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YAXMEAUNTAGJLG-UHFFFAOYSA-N -2 3 318.395 0.172 20 0 DCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000168828295 523118162 /nfs/dbraw/zinc/11/81/62/523118162.db2.gz KBPGUEBKJXZYBX-VIFPVBQESA-N -2 3 319.310 0.510 20 0 DCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)c1 ZINC000671661392 547280766 /nfs/dbraw/zinc/28/07/66/547280766.db2.gz ORYVSAOWCOJAJR-UHFFFAOYSA-N -2 3 312.307 0.024 20 0 DCADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000681572687 548266017 /nfs/dbraw/zinc/26/60/17/548266017.db2.gz XMIFINSQRDOGNV-UHFFFAOYSA-N -2 3 309.347 0.558 20 0 DCADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccco1 ZINC000682894050 548436746 /nfs/dbraw/zinc/43/67/46/548436746.db2.gz GSARJODCADSQGB-LLVKDONJSA-N -2 3 311.315 0.959 20 0 DCADHL O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450099 607779228 /nfs/dbraw/zinc/77/92/28/607779228.db2.gz WYKDFUYCPCNQJW-UHFFFAOYSA-N -2 3 310.339 0.197 20 0 DCADHL O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450099 607779229 /nfs/dbraw/zinc/77/92/29/607779229.db2.gz WYKDFUYCPCNQJW-UHFFFAOYSA-N -2 3 310.339 0.197 20 0 DCADHL CCc1cc(=O)[n-]c(CN(CCNC(C)=O)[C@H](C)C(=O)[O-])n1 ZINC000820480086 597681230 /nfs/dbraw/zinc/68/12/30/597681230.db2.gz RKZWNZYMZDQVKN-SECBINFHSA-N -2 3 310.354 0.156 20 0 DCADHL C[C@H](CO)CSCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC000736036518 599283578 /nfs/dbraw/zinc/28/35/78/599283578.db2.gz CEFKHCSPULIEDE-SSDOTTSWSA-N -2 3 321.366 0.477 20 0 DCADHL O=C([O-])NCCCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000739960123 599784405 /nfs/dbraw/zinc/78/44/05/599784405.db2.gz SHAPMVRPDFFLPN-UHFFFAOYSA-N -2 3 309.322 0.286 20 0 DCADHL O=C([O-])Cc1nc(NC(=O)c2nnc3ccccc3c2[O-])n[nH]1 ZINC000739900073 600182944 /nfs/dbraw/zinc/18/29/44/600182944.db2.gz YPTKZYLMUXDWLH-UHFFFAOYSA-N -2 3 314.261 0.333 20 0 DCADHL O=C([O-])Cc1nc([N-]C(=O)c2nnc3ccccc3c2O)n[nH]1 ZINC000739900073 600182948 /nfs/dbraw/zinc/18/29/48/600182948.db2.gz YPTKZYLMUXDWLH-UHFFFAOYSA-N -2 3 314.261 0.333 20 0 DCADHL COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000737561302 600238988 /nfs/dbraw/zinc/23/89/88/600238988.db2.gz FYTUZQCORAWRHX-GFCCVEGCSA-N -2 3 317.319 0.598 20 0 DCADHL COCCN(CCC(=O)[O-])C(=O)c1nnc2ccccc2c1[O-] ZINC000737797313 600485855 /nfs/dbraw/zinc/48/58/55/600485855.db2.gz HKNNBKSAZYUDQQ-UHFFFAOYSA-N -2 3 319.317 0.899 20 0 DCADHL O=C([O-])Cn1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000739911498 600532696 /nfs/dbraw/zinc/53/26/96/600532696.db2.gz INBJNPUKUYBYQW-UHFFFAOYSA-N -2 3 314.257 0.104 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000831079824 601389356 /nfs/dbraw/zinc/38/93/56/601389356.db2.gz ZTFVDUKYZQMCPV-SNVBAGLBSA-N -2 3 317.319 0.516 20 0 DCADHL CC[C@@H](C)[C@@H](NC(=O)Cn1cc(Cl)c(=O)[n-]c1=O)C(=O)[O-] ZINC000828729582 601577133 /nfs/dbraw/zinc/57/71/33/601577133.db2.gz RKBGKHNCCLFHPD-HZGVNTEJSA-N -2 3 317.729 0.218 20 0 DCADHL O=C([O-])CCCc1nc(Cn2cc(Cl)c(=O)[n-]c2=O)no1 ZINC000833229820 601577445 /nfs/dbraw/zinc/57/74/45/601577445.db2.gz CXFLQMOJBWZVRJ-UHFFFAOYSA-N -2 3 314.685 0.441 20 0 DCADHL NC(=O)CC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000833081241 601585800 /nfs/dbraw/zinc/58/58/00/601585800.db2.gz YRTXFDCDIZHJNO-UHFFFAOYSA-N -2 3 302.308 0.054 20 0 DCADHL C[C@@H]1CN(C(=O)CNC(=O)c2ccc([O-])cc2)C[C@H]1C(=O)[O-] ZINC000828340184 601763472 /nfs/dbraw/zinc/76/34/72/601763472.db2.gz FKLUDBHDHSNHQM-BXKDBHETSA-N -2 3 306.318 0.301 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCCCCCC(=O)[O-] ZINC000833090374 602023338 /nfs/dbraw/zinc/02/33/38/602023338.db2.gz YIFOTUFQBJLLCV-UHFFFAOYSA-N -2 3 312.326 0.625 20 0 DCADHL COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831060751 604409768 /nfs/dbraw/zinc/40/97/68/604409768.db2.gz YOIRXNHISRJNNT-LURJTMIESA-N -2 3 305.308 0.374 20 0 DCADHL CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833488394 605031351 /nfs/dbraw/zinc/03/13/51/605031351.db2.gz OLRPRDOIJXUVHC-SECBINFHSA-N -2 3 321.351 0.290 20 0 DCADHL O=C([O-])N1CCCC[C@@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000834288343 605841156 /nfs/dbraw/zinc/84/11/56/605841156.db2.gz YTKCUTAIYLNAFX-LLVKDONJSA-N -2 3 306.322 0.599 20 0 DCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000822645550 606653665 /nfs/dbraw/zinc/65/36/65/606653665.db2.gz CWXNPSZJWKKFAN-UHFFFAOYSA-N -2 3 324.366 0.207 20 0 DCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000822645550 606653666 /nfs/dbraw/zinc/65/36/66/606653666.db2.gz CWXNPSZJWKKFAN-UHFFFAOYSA-N -2 3 324.366 0.207 20 0 DCADHL O=S(=O)([N-]CC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572553 606885138 /nfs/dbraw/zinc/88/51/38/606885138.db2.gz ITQKOBPHLSOCLY-UHFFFAOYSA-N -2 3 315.305 0.833 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000315858413 607109781 /nfs/dbraw/zinc/10/97/81/607109781.db2.gz HFLXXGFWEILWBD-CQSZACIVSA-N -2 3 301.306 0.804 20 0 DCADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000315858413 607109783 /nfs/dbraw/zinc/10/97/83/607109783.db2.gz HFLXXGFWEILWBD-CQSZACIVSA-N -2 3 301.306 0.804 20 0 DCADHL C[C@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820259702 607109989 /nfs/dbraw/zinc/10/99/89/607109989.db2.gz BEPGZOJPIDQJLG-MRVPVSSYSA-N -2 3 305.294 0.082 20 0 DCADHL Cc1oncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826349325 608528576 /nfs/dbraw/zinc/52/85/76/608528576.db2.gz DNXYJLJVWFCMSB-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL C[C@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)CC(=O)[O-] ZINC000824419822 609259373 /nfs/dbraw/zinc/25/93/73/609259373.db2.gz CCTUQGMFJQPSRH-VIFPVBQESA-N -2 3 319.321 0.473 20 0 DCADHL O=C(c1ncccc1[O-])N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000998993807 665559107 /nfs/dbraw/zinc/55/91/07/665559107.db2.gz CVDMFKMPDQNGRI-VIFPVBQESA-N -2 3 318.337 0.005 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000232108009 661318700 /nfs/dbraw/zinc/31/87/00/661318700.db2.gz LAWJJJLJTXWONY-SSDOTTSWSA-N -2 3 308.743 0.503 20 0 DCADHL C[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ncccc1[O-] ZINC000988686280 662828972 /nfs/dbraw/zinc/82/89/72/662828972.db2.gz TXWMAWSVQPTTAW-DTWKUNHWSA-N -2 3 318.337 0.004 20 0 DCADHL O=C(NC1CN(C(=O)c2ncccc2[O-])C1)c1ccccc1[O-] ZINC000990273002 663024062 /nfs/dbraw/zinc/02/40/62/663024062.db2.gz BKYACMQSEROAIX-UHFFFAOYSA-N -2 3 313.313 0.747 20 0 DCADHL O=C(c1c([O-])cccc1Cl)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000738246286 667662675 /nfs/dbraw/zinc/66/26/75/667662675.db2.gz DMBYYCXCAMGXEA-VIFPVBQESA-N -2 3 309.713 0.772 20 0 DCADHL O=C(c1c([O-])cccc1Cl)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000738246286 667662677 /nfs/dbraw/zinc/66/26/77/667662677.db2.gz DMBYYCXCAMGXEA-VIFPVBQESA-N -2 3 309.713 0.772 20 0 DCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@@H]1CCOC1 ZINC000776503156 668876923 /nfs/dbraw/zinc/87/69/23/668876923.db2.gz NFNQERAKQAGURJ-APPZFPTMSA-N -2 3 320.754 0.503 20 0 DCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@@H]1CCOC1 ZINC000776503159 668876959 /nfs/dbraw/zinc/87/69/59/668876959.db2.gz NFNQERAKQAGURJ-VXNVDRBHSA-N -2 3 320.754 0.503 20 0 DCADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776612204 668879320 /nfs/dbraw/zinc/87/93/20/668879320.db2.gz AYMIHVVYYCOGKZ-CBAPKCEASA-N -2 3 322.770 0.628 20 0 DCADHL COCC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000799251112 670050336 /nfs/dbraw/zinc/05/03/36/670050336.db2.gz JZOCUFAZBGBSJP-SNVBAGLBSA-N -2 3 305.290 0.555 20 0 DCADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000854486117 670575571 /nfs/dbraw/zinc/57/55/71/670575571.db2.gz NJZWSXMYBNIFEI-UHFFFAOYSA-N -2 3 322.287 0.216 20 0 DCADHL CC(C)Cn1[n-]c(CC(=O)[N-]OCCN2CCCC2=O)cc1=O ZINC000825565838 671465778 /nfs/dbraw/zinc/46/57/78/671465778.db2.gz LBDHBIBXSIQZQO-UHFFFAOYSA-N -2 3 324.381 0.045 20 0 DCADHL COCCS(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826163106 671481919 /nfs/dbraw/zinc/48/19/19/671481919.db2.gz GXGWHDMVQJGFMI-UHFFFAOYSA-N -2 3 317.758 0.908 20 0 DCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c1 ZINC000846773635 672343355 /nfs/dbraw/zinc/34/33/55/672343355.db2.gz PRIIUPGKNIIWML-SSDOTTSWSA-N -2 3 319.310 0.672 20 0 DCADHL O=C([N-][N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000015510502 685050116 /nfs/dbraw/zinc/05/01/16/685050116.db2.gz UMVNUHMOAWDZEE-UHFFFAOYSA-N -2 3 322.302 0.613 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NCc1cc(C(=O)[O-])no1 ZINC001574191931 1163657889 /nfs/dbraw/zinc/65/78/89/1163657889.db2.gz IRWWOKAJDJVEJX-UHFFFAOYSA-N -2 3 306.278 0.426 20 0 DCADHL O=C([O-])N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574380789 1163710799 /nfs/dbraw/zinc/71/07/99/1163710799.db2.gz HUEVBVWTSZBMAI-VIFPVBQESA-N -2 3 317.309 0.134 20 0 DCADHL O=C([O-])N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574380789 1163710803 /nfs/dbraw/zinc/71/08/03/1163710803.db2.gz HUEVBVWTSZBMAI-VIFPVBQESA-N -2 3 317.309 0.134 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C2)n1 ZINC001574674925 1163740357 /nfs/dbraw/zinc/74/03/57/1163740357.db2.gz WMSCGYDZJRSGCH-ZJUUUORDSA-N -2 3 308.338 0.296 20 0 DCADHL COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001579467997 1165321169 /nfs/dbraw/zinc/32/11/69/1165321169.db2.gz QVINLBSSTDQYJL-WDEREUQCSA-N -2 3 317.305 0.476 20 0 DCADHL COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001579467997 1165321174 /nfs/dbraw/zinc/32/11/74/1165321174.db2.gz QVINLBSSTDQYJL-WDEREUQCSA-N -2 3 317.305 0.476 20 0 DCADHL CSc1nc(CNc2cncc(-c3nnn[n-]3)n2)cc(=O)[n-]1 ZINC001580238045 1165544120 /nfs/dbraw/zinc/54/41/20/1165544120.db2.gz JOIHSUZAXABEAK-UHFFFAOYSA-N -2 3 317.338 0.486 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC(=O)N1 ZINC001589002518 1166626410 /nfs/dbraw/zinc/62/64/10/1166626410.db2.gz CSLLIUQYQXFNGT-GZMMTYOYSA-N -2 3 316.321 0.191 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC(=O)N1 ZINC001589002518 1166626414 /nfs/dbraw/zinc/62/64/14/1166626414.db2.gz CSLLIUQYQXFNGT-GZMMTYOYSA-N -2 3 316.321 0.191 20 0 DCADHL C[C@H](CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589858722 1166700978 /nfs/dbraw/zinc/70/09/78/1166700978.db2.gz SDKFVNXWPOXSST-SECBINFHSA-N -2 3 318.337 0.729 20 0 DCADHL C[C@H](CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589858722 1166700986 /nfs/dbraw/zinc/70/09/86/1166700986.db2.gz SDKFVNXWPOXSST-SECBINFHSA-N -2 3 318.337 0.729 20 0 DCADHL C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589920295 1166720436 /nfs/dbraw/zinc/72/04/36/1166720436.db2.gz XTSRJLGNJGZQRV-MRVPVSSYSA-N -2 3 301.306 0.909 20 0 DCADHL C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589920295 1166720439 /nfs/dbraw/zinc/72/04/39/1166720439.db2.gz XTSRJLGNJGZQRV-MRVPVSSYSA-N -2 3 301.306 0.909 20 0 DCADHL C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nn(C)cc1[O-] ZINC001589944089 1166726020 /nfs/dbraw/zinc/72/60/20/1166726020.db2.gz VNIFUCIYHAKAQE-LURJTMIESA-N -2 3 302.298 0.125 20 0 DCADHL C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nn(C)cc1[O-] ZINC001589944089 1166726028 /nfs/dbraw/zinc/72/60/28/1166726028.db2.gz VNIFUCIYHAKAQE-LURJTMIESA-N -2 3 302.298 0.125 20 0 DCADHL CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590404109 1166898662 /nfs/dbraw/zinc/89/86/62/1166898662.db2.gz KLKJEMFJPYVUNL-MRVPVSSYSA-N -2 3 324.366 0.503 20 0 DCADHL CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590404109 1166898672 /nfs/dbraw/zinc/89/86/72/1166898672.db2.gz KLKJEMFJPYVUNL-MRVPVSSYSA-N -2 3 324.366 0.503 20 0 DCADHL CCCCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590573330 1166946079 /nfs/dbraw/zinc/94/60/79/1166946079.db2.gz FPJHNJUOYWUTRC-UHFFFAOYSA-N -2 3 309.351 0.862 20 0 DCADHL CCCCC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590573330 1166946082 /nfs/dbraw/zinc/94/60/82/1166946082.db2.gz FPJHNJUOYWUTRC-UHFFFAOYSA-N -2 3 309.351 0.862 20 0 DCADHL CCO[N-]C(=O)CNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590818981 1167030404 /nfs/dbraw/zinc/03/04/04/1167030404.db2.gz LYZXRVPMZAAJBC-UHFFFAOYSA-N -2 3 318.337 0.281 20 0 DCADHL CCO[N-]C(=O)CNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590818981 1167030407 /nfs/dbraw/zinc/03/04/07/1167030407.db2.gz LYZXRVPMZAAJBC-UHFFFAOYSA-N -2 3 318.337 0.281 20 0 DCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590869025 1167040770 /nfs/dbraw/zinc/04/07/70/1167040770.db2.gz QGMQAFZNZAXSTG-LDYMZIIASA-N -2 3 321.362 0.718 20 0 DCADHL CC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590869025 1167040777 /nfs/dbraw/zinc/04/07/77/1167040777.db2.gz QGMQAFZNZAXSTG-LDYMZIIASA-N -2 3 321.362 0.718 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001591387174 1167255031 /nfs/dbraw/zinc/25/50/31/1167255031.db2.gz RAZYGXAYVQSSIJ-CYBMUJFWSA-N -2 3 322.300 0.328 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001591387174 1167255041 /nfs/dbraw/zinc/25/50/41/1167255041.db2.gz RAZYGXAYVQSSIJ-CYBMUJFWSA-N -2 3 322.300 0.328 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001591385932 1167255119 /nfs/dbraw/zinc/25/51/19/1167255119.db2.gz DOMAODBOYAKJNZ-CQSZACIVSA-N -2 3 321.312 0.933 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001591385932 1167255124 /nfs/dbraw/zinc/25/51/24/1167255124.db2.gz DOMAODBOYAKJNZ-CQSZACIVSA-N -2 3 321.312 0.933 20 0 DCADHL CSc1nc(=O)n(Cc2cc(-c3nn[n-]n3)ccc2F)[n-]1 ZINC001591721329 1167360732 /nfs/dbraw/zinc/36/07/32/1167360732.db2.gz VWGXMOXSUJMMGX-UHFFFAOYSA-N -2 3 307.314 0.661 20 0 DCADHL CSc1ccc(CN=c2nn[n-]n2C)cc1-c1nnn[n-]1 ZINC001591714845 1167361237 /nfs/dbraw/zinc/36/12/37/1167361237.db2.gz LNMUEONHIPNVRL-UHFFFAOYSA-N -2 3 303.355 0.146 20 0 DCADHL CSc1ccc(CN=c2nn[n-]n2C)cc1-c1nn[n-]n1 ZINC001591714845 1167361239 /nfs/dbraw/zinc/36/12/39/1167361239.db2.gz LNMUEONHIPNVRL-UHFFFAOYSA-N -2 3 303.355 0.146 20 0 DCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)ncc1-c1nnn[n-]1 ZINC001591929674 1167420025 /nfs/dbraw/zinc/42/00/25/1167420025.db2.gz JZSBCNWSTDRIFU-UHFFFAOYSA-N -2 3 324.366 0.286 20 0 DCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)ncc1-c1nn[n-]n1 ZINC001591929674 1167420028 /nfs/dbraw/zinc/42/00/28/1167420028.db2.gz JZSBCNWSTDRIFU-UHFFFAOYSA-N -2 3 324.366 0.286 20 0 DCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ncc2ccccc2c1[O-] ZINC001592753425 1167632257 /nfs/dbraw/zinc/63/22/57/1167632257.db2.gz ZHNMAGAIQCKRKC-UHFFFAOYSA-N -2 3 322.288 0.588 20 0 DCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ncc2ccccc2c1[O-] ZINC001592753425 1167632261 /nfs/dbraw/zinc/63/22/61/1167632261.db2.gz ZHNMAGAIQCKRKC-UHFFFAOYSA-N -2 3 322.288 0.588 20 0 DCADHL O=C(CNc1ccc(-c2nnn[n-]2)cn1)[N-]OCCC1CC1 ZINC001592879636 1167656375 /nfs/dbraw/zinc/65/63/75/1167656375.db2.gz RBAQLAMKPPWEQA-UHFFFAOYSA-N -2 3 303.326 0.522 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)[N-]OCCC1CC1 ZINC001592879636 1167656378 /nfs/dbraw/zinc/65/63/78/1167656378.db2.gz RBAQLAMKPPWEQA-UHFFFAOYSA-N -2 3 303.326 0.522 20 0 DCADHL O=C(Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1n[nH]c(=O)[n-]1 ZINC001593226589 1167739943 /nfs/dbraw/zinc/73/99/43/1167739943.db2.gz RPZZRNBQJNNHQW-UHFFFAOYSA-N -2 3 312.293 0.820 20 0 DCADHL O=C(Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1n[nH]c(=O)[n-]1 ZINC001593226589 1167739949 /nfs/dbraw/zinc/73/99/49/1167739949.db2.gz RPZZRNBQJNNHQW-UHFFFAOYSA-N -2 3 312.293 0.820 20 0 DCADHL O=C([O-])[C@@H](CCF)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001593216774 1167741472 /nfs/dbraw/zinc/74/14/72/1167741472.db2.gz WPGAJTRCPRNOHZ-SECBINFHSA-N -2 3 308.273 0.801 20 0 DCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@](C)(CO)C(=O)[O-])c1 ZINC001600623667 1168218387 /nfs/dbraw/zinc/21/83/87/1168218387.db2.gz NUTPMMWOBMOGMB-JTQLQIEISA-N -2 3 308.743 0.157 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCOC(F)F)c1C(=O)[O-] ZINC001600675050 1168244744 /nfs/dbraw/zinc/24/47/44/1168244744.db2.gz ZFFFMZXVUWWKIV-UHFFFAOYSA-N -2 3 313.282 0.324 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001600733525 1168266045 /nfs/dbraw/zinc/26/60/45/1168266045.db2.gz SFWNZGQMDZIDMD-KWQFWETISA-N -2 3 309.322 0.124 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001600772625 1168287529 /nfs/dbraw/zinc/28/75/29/1168287529.db2.gz MJOYHINOSKZXAW-JGVFFNPUSA-N -2 3 321.786 0.914 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC001600790853 1168296431 /nfs/dbraw/zinc/29/64/31/1168296431.db2.gz QUNLDMJAKKCTPF-UHFFFAOYSA-N -2 3 312.351 0.569 20 0 DCADHL O=C([O-])[C@@H](CCC1OCCO1)NC(=O)c1cccc2n[n-]nc21 ZINC001601410918 1168735832 /nfs/dbraw/zinc/73/58/32/1168735832.db2.gz CIEMLXGXWGKTOZ-SNVBAGLBSA-N -2 3 320.305 0.294 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)[n-]cn1)Oc1ccc(F)cc1 ZINC001601467712 1168756610 /nfs/dbraw/zinc/75/66/10/1168756610.db2.gz JWNCUUYDNKEIKL-LLVKDONJSA-N -2 3 321.264 0.583 20 0 DCADHL O=C([O-])[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001601568752 1168784416 /nfs/dbraw/zinc/78/44/16/1168784416.db2.gz KDNMWOXAIIVVLT-LBPRGKRZSA-N -2 3 324.300 0.817 20 0 DCADHL O=C([O-])[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001601568752 1168784423 /nfs/dbraw/zinc/78/44/23/1168784423.db2.gz KDNMWOXAIIVVLT-LBPRGKRZSA-N -2 3 324.300 0.817 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601772554 1168871230 /nfs/dbraw/zinc/87/12/30/1168871230.db2.gz LLIJPDQBTXBQJO-CHWSQXEVSA-N -2 3 315.329 0.869 20 0 DCADHL O=C([O-])C[C@@]1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCOC1 ZINC001601930589 1168938167 /nfs/dbraw/zinc/93/81/67/1168938167.db2.gz ZVNXJDGYSVTEHL-AWEZNQCLSA-N -2 3 307.306 0.423 20 0 DCADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC001602170572 1169013997 /nfs/dbraw/zinc/01/39/97/1169013997.db2.gz FWJCACJFKINITC-QMMMGPOBSA-N -2 3 302.283 0.670 20 0 DCADHL O=C([O-])[C@@H]1C[C@H]1[C@H]1NC(=O)N(Cc2ccc([O-])c(F)c2)C1=O ZINC001602198673 1169025737 /nfs/dbraw/zinc/02/57/37/1169025737.db2.gz PVRLOFQLMNHBKA-SOCHQFKDSA-N -2 3 308.265 0.672 20 0 DCADHL O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001602203481 1169028077 /nfs/dbraw/zinc/02/80/77/1169028077.db2.gz GUJSKCWACMACOZ-JGVFFNPUSA-N -2 3 324.717 0.395 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)C[C@H]2CCCO2)o1 ZINC001602397863 1169071861 /nfs/dbraw/zinc/07/18/61/1169071861.db2.gz LCPLYGQMSDSUNW-DTWKUNHWSA-N -2 3 319.335 0.186 20 0 DCADHL CC(=O)NCC(C)(C)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001602944100 1169216417 /nfs/dbraw/zinc/21/64/17/1169216417.db2.gz YOOKFTFJPVAPQC-UHFFFAOYSA-N -2 3 318.337 0.439 20 0 DCADHL CC(=O)NCC(C)(C)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001602944100 1169216424 /nfs/dbraw/zinc/21/64/24/1169216424.db2.gz YOOKFTFJPVAPQC-UHFFFAOYSA-N -2 3 318.337 0.439 20 0 DCADHL C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](C(=O)[O-])C1 ZINC001603166818 1169264089 /nfs/dbraw/zinc/26/40/89/1169264089.db2.gz OHFWBVVSVBQFRC-MFKMUULPSA-N -2 3 320.345 0.796 20 0 DCADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001603313506 1169290631 /nfs/dbraw/zinc/29/06/31/1169290631.db2.gz OSQZHCBUEYCQMV-SNVBAGLBSA-N -2 3 321.395 0.748 20 0 DCADHL CC(C)(CS(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)C(=O)[O-] ZINC001603659614 1169345321 /nfs/dbraw/zinc/34/53/21/1169345321.db2.gz CRVHJJKPYVRFIL-QMMMGPOBSA-N -2 3 307.290 0.330 20 0 DCADHL CC(C)(CS(=O)(=O)[N-][C@H]1CCCC12OCCO2)C(=O)[O-] ZINC001603659942 1169347218 /nfs/dbraw/zinc/34/72/18/1169347218.db2.gz IRUWYPZAQPCXEN-VIFPVBQESA-N -2 3 307.368 0.312 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C(=O)[O-] ZINC001603929673 1169439003 /nfs/dbraw/zinc/43/90/03/1169439003.db2.gz BCYNAYGJHNLJSK-HTQZYQBOSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C(=O)[O-] ZINC001603929673 1169439005 /nfs/dbraw/zinc/43/90/05/1169439005.db2.gz BCYNAYGJHNLJSK-HTQZYQBOSA-N -2 3 304.310 0.378 20 0 DCADHL C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604850522 1169708745 /nfs/dbraw/zinc/70/87/45/1169708745.db2.gz DWLCVNWIQXZSBO-SKRYNEFJSA-N -2 3 306.365 0.447 20 0 DCADHL CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001604858843 1169714774 /nfs/dbraw/zinc/71/47/74/1169714774.db2.gz AWRDSLQRSHCGCH-SECBINFHSA-N -2 3 316.335 0.267 20 0 DCADHL CC[C@](C)([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC001604915547 1169742024 /nfs/dbraw/zinc/74/20/24/1169742024.db2.gz XGZAVADOCWTEKR-JTQLQIEISA-N -2 3 309.775 0.914 20 0 DCADHL COc1cc(C(=O)NC(C)(C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001605194629 1169867474 /nfs/dbraw/zinc/86/74/74/1169867474.db2.gz FYVPPPOQNCKILU-UHFFFAOYSA-N -2 3 305.294 0.468 20 0 DCADHL COc1cc(C(=O)NC(C)(C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001605194629 1169867486 /nfs/dbraw/zinc/86/74/86/1169867486.db2.gz FYVPPPOQNCKILU-UHFFFAOYSA-N -2 3 305.294 0.468 20 0 DCADHL CCOC(=O)c1ncc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)[n-]1 ZINC001605581514 1169964798 /nfs/dbraw/zinc/96/47/98/1169964798.db2.gz XPHWGKQBXGQXKE-ZXFLCMHBSA-N -2 3 311.294 0.403 20 0 DCADHL CCOC(=O)c1nc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)c[n-]1 ZINC001605581514 1169964800 /nfs/dbraw/zinc/96/48/00/1169964800.db2.gz XPHWGKQBXGQXKE-ZXFLCMHBSA-N -2 3 311.294 0.403 20 0 DCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)C)cc1-c1nnn[n-]1 ZINC001605821426 1170008676 /nfs/dbraw/zinc/00/86/76/1170008676.db2.gz MXHPJPCNHNYORO-UHFFFAOYSA-N -2 3 323.378 0.891 20 0 DCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)C)cc1-c1nn[n-]n1 ZINC001605821426 1170008681 /nfs/dbraw/zinc/00/86/81/1170008681.db2.gz MXHPJPCNHNYORO-UHFFFAOYSA-N -2 3 323.378 0.891 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-]C[C@]2(C(=O)[O-])CCOC2)s1 ZINC001605861891 1170015672 /nfs/dbraw/zinc/01/56/72/1170015672.db2.gz FWEVXXXMDZNTRA-LLVKDONJSA-N -2 3 320.392 0.475 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001605980415 1170040649 /nfs/dbraw/zinc/04/06/49/1170040649.db2.gz ABDYNWJSKPOFRY-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001605980415 1170040654 /nfs/dbraw/zinc/04/06/54/1170040654.db2.gz ABDYNWJSKPOFRY-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1nc(N2CCO[C@@H](CC(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001606054850 1170066420 /nfs/dbraw/zinc/06/64/20/1170066420.db2.gz YWSKCSLMGQTATQ-VIFPVBQESA-N -2 3 304.310 0.250 20 0 DCADHL Cc1nc(N2CCO[C@@H](CC(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001606054850 1170066426 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Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)COCC2CC2)c1C(=O)[O-] ZINC001607940259 1170528762 /nfs/dbraw/zinc/52/87/62/1170528762.db2.gz OCYIWKGGBBBWBW-SSDOTTSWSA-N -2 3 317.367 0.510 20 0 DCADHL Cc1nc(CS(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)no1 ZINC001607959998 1170534506 /nfs/dbraw/zinc/53/45/06/1170534506.db2.gz OIFNOOZKMOHZBV-UHFFFAOYSA-N -2 3 301.280 0.289 20 0 DCADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2n[n-]c(SCCO)n2)C1 ZINC001608622227 1170724049 /nfs/dbraw/zinc/72/40/49/1170724049.db2.gz OVQRFPBGUSRBMQ-SFYZADRCSA-N -2 3 314.367 0.719 20 0 DCADHL O=C([O-])CCCC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001608708720 1170741531 /nfs/dbraw/zinc/74/15/31/1170741531.db2.gz RNNKYVMQJGMNKY-UHFFFAOYSA-N -2 3 320.345 0.932 20 0 DCADHL O=C([O-])c1cc(C2CCN(C(=O)c3c[n-]ncc3=O)CC2)no1 ZINC001608839707 1170764133 /nfs/dbraw/zinc/76/41/33/1170764133.db2.gz PQWUVRGQTXPARS-UHFFFAOYSA-N -2 3 318.289 0.888 20 0 DCADHL O=C([O-])c1cc(C2CCN(C(=O)c3cnncc3[O-])CC2)no1 ZINC001608839707 1170764137 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CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000829359194 605203661 /nfs/dbraw/zinc/20/36/61/605203661.db2.gz ZWTUMUSUMPAWNL-LJQANCHMSA-N -2 3 323.392 0.803 20 0 DCADHL Cc1nnc(NCCCc2n[nH]c(=O)[n-]2)c(-c2nnn[n-]2)c1C ZINC000822515063 606061577 /nfs/dbraw/zinc/06/15/77/606061577.db2.gz JEWPXAWIQDTFNV-UHFFFAOYSA-N -2 3 316.329 0.142 20 0 DCADHL Cc1nnc(NCCCc2n[nH]c(=O)[n-]2)c(-c2nn[n-]n2)c1C ZINC000822515063 606061582 /nfs/dbraw/zinc/06/15/82/606061582.db2.gz JEWPXAWIQDTFNV-UHFFFAOYSA-N -2 3 316.329 0.142 20 0 DCADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cnn1C ZINC000822130298 606765594 /nfs/dbraw/zinc/76/55/94/606765594.db2.gz SPZISSJTLSIURN-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cnn1C ZINC000822130298 606765595 /nfs/dbraw/zinc/76/55/95/606765595.db2.gz SPZISSJTLSIURN-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]OCC(F)(F)F ZINC000823043893 607100139 /nfs/dbraw/zinc/10/01/39/607100139.db2.gz LINJSWHAVJZWLM-UHFFFAOYSA-N -2 3 317.227 0.856 20 0 DCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]OCC(F)(F)F ZINC000823043893 607100140 /nfs/dbraw/zinc/10/01/40/607100140.db2.gz LINJSWHAVJZWLM-UHFFFAOYSA-N -2 3 317.227 0.856 20 0 DCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825076869 608144742 /nfs/dbraw/zinc/14/47/42/608144742.db2.gz YFWNLCYAIUOZGD-ZCFIWIBFSA-N -2 3 315.380 0.786 20 0 DCADHL Cc1cc(C)c(-c2nnn[n-]2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000826262861 608669334 /nfs/dbraw/zinc/66/93/34/608669334.db2.gz ATQWYDVYVXMTPJ-UHFFFAOYSA-N -2 3 304.339 0.995 20 0 DCADHL Cc1cc(C)c(-c2nn[n-]n2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000826262861 608669335 /nfs/dbraw/zinc/66/93/35/608669335.db2.gz ATQWYDVYVXMTPJ-UHFFFAOYSA-N -2 3 304.339 0.995 20 0 DCADHL O=C([N-]OC1CCCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450060 609262101 /nfs/dbraw/zinc/26/21/01/609262101.db2.gz VOOAPQJXVQZEPR-LBPRGKRZSA-N -2 3 303.322 0.891 20 0 DCADHL O=C([N-]OC1CCCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450060 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Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccon1 ZINC000826255721 671482610 /nfs/dbraw/zinc/48/26/10/671482610.db2.gz IFELMVGQVVSUQF-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccon1 ZINC000826255721 671482611 /nfs/dbraw/zinc/48/26/11/671482611.db2.gz IFELMVGQVVSUQF-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)c(C)o1 ZINC000826272562 671483404 /nfs/dbraw/zinc/48/34/04/671483404.db2.gz PVKDKQJKFIWHHB-UHFFFAOYSA-N -2 3 323.338 0.909 20 0 DCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cccnc2)c1-c1nnn[n-]1 ZINC000826322308 671484100 /nfs/dbraw/zinc/48/41/00/671484100.db2.gz HGOVMUMGYRCDCS-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL C[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CC(=O)[O-] ZINC001573550295 1163485307 /nfs/dbraw/zinc/48/53/07/1163485307.db2.gz FGBQDMDNNVCXTM-DCXZOGHSSA-N -2 3 314.429 0.828 20 0 DCADHL C[C@@H](NC(=O)[C@H]1CC(C(=O)[O-])=NO1)c1nc(C(F)(F)F)n[n-]1 ZINC001573611053 1163515992 /nfs/dbraw/zinc/51/59/92/1163515992.db2.gz HJQPQRQNGQVLDO-NQXXGFSBSA-N -2 3 321.215 0.230 20 0 DCADHL CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573729782 1163544857 /nfs/dbraw/zinc/54/48/57/1163544857.db2.gz YWIZDTRNDFXROC-APPZFPTMSA-N -2 3 305.356 0.183 20 0 DCADHL COC(=O)C1(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)CCC1 ZINC001573915858 1163586236 /nfs/dbraw/zinc/58/62/36/1163586236.db2.gz KWTGNBXEUAKXLD-UHFFFAOYSA-N -2 3 317.319 0.493 20 0 DCADHL COCCC1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCC1 ZINC001573978749 1163616849 /nfs/dbraw/zinc/61/68/49/1163616849.db2.gz XTBGXYBTGHEIFH-UHFFFAOYSA-N -2 3 317.367 0.654 20 0 DCADHL O=C([O-])Cn1cnc([N-]C(=O)c2c3c(ccc2F)OCO3)n1 ZINC001574377413 1163710740 /nfs/dbraw/zinc/71/07/40/1163710740.db2.gz QBVAUYLKQOUSRH-UHFFFAOYSA-N -2 3 308.225 0.483 20 0 DCADHL O=C([O-])[C@@H]1[C@@H]2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)C[C@@H]21 ZINC001574406054 1163715230 /nfs/dbraw/zinc/71/52/30/1163715230.db2.gz SJMAXICDTKBESB-VYUIOLGVSA-N -2 3 305.334 0.407 20 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/nfs/dbraw/zinc/08/32/78/1166083278.db2.gz MSIAKHWRNZWXAH-RFZPGFLSSA-N -2 3 323.256 0.689 20 0 DCADHL O=S(=O)([N-][C@@H]1C[C@H]1C(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001582797850 1166083282 /nfs/dbraw/zinc/08/32/82/1166083282.db2.gz MSIAKHWRNZWXAH-RFZPGFLSSA-N -2 3 323.256 0.689 20 0 DCADHL O=S(=O)(c1ncc[n-]1)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001582801354 1166086926 /nfs/dbraw/zinc/08/69/26/1166086926.db2.gz IRKBCSWWZKBBDD-UHFFFAOYSA-N -2 3 317.334 0.294 20 0 DCADHL O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001583359084 1166246445 /nfs/dbraw/zinc/24/64/45/1166246445.db2.gz XMTQXUMFMSWNPS-ZETCQYMHSA-N -2 3 315.289 0.987 20 0 DCADHL C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589859337 1166703275 /nfs/dbraw/zinc/70/32/75/1166703275.db2.gz RFPUEGNGJLSOFZ-LURJTMIESA-N -2 3 308.273 0.848 20 0 DCADHL C[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589859337 1166703284 /nfs/dbraw/zinc/70/32/84/1166703284.db2.gz RFPUEGNGJLSOFZ-LURJTMIESA-N -2 3 308.273 0.848 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2nc(-c3nnn[n-]3)ccc2C)C1 ZINC001591387261 1167258006 /nfs/dbraw/zinc/25/80/06/1167258006.db2.gz UYDUQGKOJPSZAT-CQSZACIVSA-N -2 3 318.337 0.498 20 0 DCADHL CSc1ncc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(=O)[n-]1 ZINC001591718885 1167360835 /nfs/dbraw/zinc/36/08/35/1167360835.db2.gz RWXJLBCBVAGXHZ-UHFFFAOYSA-N -2 3 319.310 0.060 20 0 DCADHL Cc1cc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592016728 1167434026 /nfs/dbraw/zinc/43/40/26/1167434026.db2.gz WXGKYBGEKHCUGK-IUCAKERBSA-N -2 3 319.321 0.992 20 0 DCADHL Cc1cc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592016728 1167434029 /nfs/dbraw/zinc/43/40/29/1167434029.db2.gz WXGKYBGEKHCUGK-IUCAKERBSA-N -2 3 319.321 0.992 20 0 DCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]O[C@@H]1CCCCO1 ZINC001592891705 1167659502 /nfs/dbraw/zinc/65/95/02/1167659502.db2.gz RFRKFDFJTSKKHL-CYBMUJFWSA-N -2 3 319.321 0.820 20 0 DCADHL O=C(N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1n[nH]c(=O)[n-]1 ZINC001592996531 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Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)cc(C)c1-c1nnn[n-]1 ZINC001570920081 948594292 /nfs/dbraw/zinc/59/42/92/948594292.db2.gz GRPZHMHNNFRLSU-UHFFFAOYSA-N -2 3 314.309 0.237 20 0 DCADHL Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)cc(C)c1-c1nn[n-]n1 ZINC001570920081 948594297 /nfs/dbraw/zinc/59/42/97/948594297.db2.gz GRPZHMHNNFRLSU-UHFFFAOYSA-N -2 3 314.309 0.237 20 0 DCADHL COc1cnc([C@@H]2CCCN2C(=O)CCc2nnn[n-]2)[n-]c1=O ZINC001364414994 949233137 /nfs/dbraw/zinc/23/31/37/949233137.db2.gz FGVVDMIFHIZSCZ-QMMMGPOBSA-N -2 3 319.325 0.000 20 0 DCADHL COc1cnc([C@@H]2CCCN2C(=O)CCc2nn[n-]n2)[n-]c1=O ZINC001364414994 949233156 /nfs/dbraw/zinc/23/31/56/949233156.db2.gz FGVVDMIFHIZSCZ-QMMMGPOBSA-N -2 3 319.325 0.000 20 0 DCADHL O=C([O-])CC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCOCC1 ZINC001594970417 950838660 /nfs/dbraw/zinc/83/86/60/950838660.db2.gz ASUAWHMEFKCLNO-JTQLQIEISA-N -2 3 323.349 0.703 20 0 DCADHL CCOC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])nc2)[n-]n1 ZINC001591126210 951070736 /nfs/dbraw/zinc/07/07/36/951070736.db2.gz OWEVMOLCYDFWME-UHFFFAOYSA-N -2 3 304.262 0.932 20 0 DCADHL CCOC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])nc2)n[n-]1 ZINC001591126210 951070749 /nfs/dbraw/zinc/07/07/49/951070749.db2.gz OWEVMOLCYDFWME-UHFFFAOYSA-N -2 3 304.262 0.932 20 0 DCADHL O=C([O-])CN1CC[C@H](OC(=O)Cc2ccc([O-])c(F)c2)C1=O ZINC001595081128 951679125 /nfs/dbraw/zinc/67/91/25/951679125.db2.gz NAZHTOYAUGZVKG-NSHDSACASA-N -2 3 311.265 0.303 20 0 DCADHL O=C([O-])C=Cc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)co1 ZINC001594969485 955091975 /nfs/dbraw/zinc/09/19/75/955091975.db2.gz ZEQZHXCKRNSARS-UPHRSURJSA-N -3 3 305.246 0.509 20 0 DCADHL Cc1nc(C)c(CCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c(=O)[n-]1 ZINC000387882213 972146045 /nfs/dbraw/zinc/14/60/45/972146045.db2.gz PJNLUMDIUXRDHD-AWEZNQCLSA-N -2 3 309.322 0.092 20 0 DCADHL C[C@H](C(=O)[O-])C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001588568801 959168022 /nfs/dbraw/zinc/16/80/22/959168022.db2.gz SZKIUOZZZNJYEN-CIUDSAMLSA-N -2 3 309.322 0.587 20 0 DCADHL O=C(CSc1n[nH]c(=O)[n-]1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001362887349 960134667 /nfs/dbraw/zinc/13/46/67/960134667.db2.gz QFQAXMZJEKWYFF-LURJTMIESA-N -2 3 310.339 0.047 20 0 DCADHL COc1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c(OC)c1 ZINC001363318967 960882526 /nfs/dbraw/zinc/88/25/26/960882526.db2.gz HYDWAVXRPCZCOW-UHFFFAOYSA-N -2 3 305.290 0.835 20 0 DCADHL C[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])c1csnn1 ZINC001571079443 960980259 /nfs/dbraw/zinc/98/02/59/960980259.db2.gz FCEYCMKISNOIKH-YFKPBYRVSA-N -2 3 303.321 0.869 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)n[nH]1 ZINC001571119107 961424418 /nfs/dbraw/zinc/42/44/18/961424418.db2.gz UVJLAYUFUBISOO-CRCLSJGQSA-N -2 3 313.257 0.585 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001571152814 961816351 /nfs/dbraw/zinc/81/63/51/961816351.db2.gz GCDBORJSQOKSHZ-UHFFFAOYSA-N -2 3 322.346 0.894 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCN(c3cccc(C(=O)[O-])n3)CC2)n1 ZINC001600064693 970752502 /nfs/dbraw/zinc/75/25/02/970752502.db2.gz AKBRLDODZLOJPY-UHFFFAOYSA-N -2 3 315.333 0.910 20 0 DCADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])O1 ZINC000398100171 973069953 /nfs/dbraw/zinc/06/99/53/973069953.db2.gz WQEYJUWWMSOLNV-BQBZGAKWSA-N -2 3 306.365 0.687 20 0 DCADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[N-]OCC(N)=O ZINC001591769517 975891455 /nfs/dbraw/zinc/89/14/55/975891455.db2.gz MOYGBIKRGGFFNF-UHFFFAOYSA-N -2 3 311.294 0.710 20 0 DCADHL C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710602319 977515377 /nfs/dbraw/zinc/51/53/77/977515377.db2.gz SIMHIRTUTAEKSL-QPUJVOFHSA-N -2 3 303.336 0.807 20 0 DCADHL CC[C@@H](C[C@H](C)O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000716914617 977865380 /nfs/dbraw/zinc/86/53/80/977865380.db2.gz KWIVJRAUFDIBLE-BQBZGAKWSA-N -2 3 308.381 0.669 20 0 DCADHL CC[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000716914621 977865990 /nfs/dbraw/zinc/86/59/90/977865990.db2.gz KWIVJRAUFDIBLE-NKWVEPMBSA-N -2 3 308.381 0.669 20 0 DCADHL CC[C@@H](COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC001595176759 979770194 /nfs/dbraw/zinc/77/01/94/979770194.db2.gz GTXGAYGLLVNPEO-DTWKUNHWSA-N -2 3 309.384 0.604 20 0 DCADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC ZINC001594853057 982107415 /nfs/dbraw/zinc/10/74/15/982107415.db2.gz FOZMHWJGQXPVJQ-GFCCVEGCSA-N -2 3 319.335 0.906 20 0 DCADHL CCCCOC(=O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595764767 982484191 /nfs/dbraw/zinc/48/41/91/982484191.db2.gz WEPKXJYGCWPIFS-UHFFFAOYSA-N -2 3 319.335 0.908 20 0 DCADHL CCN1CC[C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1=O ZINC001596410561 984002419 /nfs/dbraw/zinc/00/24/19/984002419.db2.gz OKFFTJKLHNDGBU-QMMMGPOBSA-N -2 3 316.335 0.185 20 0 DCADHL CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001596518047 984307181 /nfs/dbraw/zinc/30/71/81/984307181.db2.gz WUPXPNAZUZSLCR-JGVFFNPUSA-N -2 3 319.335 0.844 20 0 DCADHL CCOC(=O)N1CCC[C@H](C(=O)[N-]OCCCC(=O)[O-])C1 ZINC001596649747 984667012 /nfs/dbraw/zinc/66/70/12/984667012.db2.gz DSVVULHNPPOQFN-JTQLQIEISA-N -2 3 302.327 0.768 20 0 DCADHL C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594509534 985777578 /nfs/dbraw/zinc/77/75/78/985777578.db2.gz ZPEUFPVTPZUGRI-LDYMZIIASA-N -2 3 314.363 0.739 20 0 DCADHL C[C@@H](C(=O)[O-])N(C(=O)c1cc(=O)[n-]c(N(C)C)n1)C1CCC1 ZINC001589477296 986983060 /nfs/dbraw/zinc/98/30/60/986983060.db2.gz QCWBTKLAPGUDDQ-QMMMGPOBSA-N -2 3 308.338 0.716 20 0 DCADHL C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594684408 987046539 /nfs/dbraw/zinc/04/65/39/987046539.db2.gz OFTUZAKNLVEHLI-XDVGHUOJSA-N -2 3 306.365 0.447 20 0 DCADHL CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599787254 987943939 /nfs/dbraw/zinc/94/39/39/987943939.db2.gz NMNGOSOJAVSXCV-HTQZYQBOSA-N -2 3 323.392 0.677 20 0 DCADHL CCc1cc(=O)[n-]c(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001597488225 987997667 /nfs/dbraw/zinc/99/76/67/987997667.db2.gz YJOLDGFVXYBJKA-JTQLQIEISA-N -2 3 318.337 0.481 20 0 DCADHL CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001589889944 988569045 /nfs/dbraw/zinc/56/90/45/988569045.db2.gz GTYCGNHIFNRQOX-UHFFFAOYSA-N -2 3 322.364 0.461 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])s1 ZINC001597703180 988937386 /nfs/dbraw/zinc/93/73/86/988937386.db2.gz XQMKHFDTBZZUPA-GMSGAONNSA-N -2 3 320.392 0.474 20 0 DCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-] ZINC001597791363 989322260 /nfs/dbraw/zinc/32/22/60/989322260.db2.gz NSQAPQPPGPLVCA-LURJTMIESA-N -2 3 323.298 0.330 20 0 DCADHL CN1CC[C@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001598584309 993359916 /nfs/dbraw/zinc/35/99/16/993359916.db2.gz WXSKMJGOIYCXJO-QMMMGPOBSA-N -2 3 316.335 0.125 20 0 DCADHL CN1CCN(C(=O)C(=O)c2ccc([O-])cc2)C[C@H](C(=O)[O-])C1 ZINC001598603493 993604355 /nfs/dbraw/zinc/60/43/55/993604355.db2.gz IODKRRUBKAWESO-LLVKDONJSA-N -2 3 306.318 0.050 20 0 DCADHL COc1ccc(C(=O)NC[C@H](C(=O)[O-])[C@@H]2CCOC2)c([O-])c1 ZINC001599482594 996793836 /nfs/dbraw/zinc/79/38/36/996793836.db2.gz DRHWUCAXMCSVNI-SKDRFNHKSA-N -2 3 309.318 0.868 20 0 DCADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1nncn1C)CC(=O)[O-] ZINC001573518704 1163457232 /nfs/dbraw/zinc/45/72/32/1163457232.db2.gz NXGGZSISOYHCEM-VIFPVBQESA-N -2 3 304.372 0.230 20 0 DCADHL COCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599209877 997479191 /nfs/dbraw/zinc/47/91/91/997479191.db2.gz SBMNLNFAHHXNCE-GFCCVEGCSA-N -2 3 321.351 0.352 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001594113539 998226594 /nfs/dbraw/zinc/22/65/94/998226594.db2.gz KCWOVWLEQAMZEU-GFCCVEGCSA-N -2 3 303.318 0.556 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2CCOCC2)c1C(=O)[O-] ZINC001610549972 1171251384 /nfs/dbraw/zinc/25/13/84/1171251384.db2.gz RKOXNRRNQNZVHE-UHFFFAOYSA-N -2 3 303.340 0.121 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])cc1C(=O)[O-] ZINC001610587304 1171260680 /nfs/dbraw/zinc/26/06/80/1171260680.db2.gz YNOALHWSPLAFRH-LURJTMIESA-N -3 3 305.308 0.818 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000167418424 291249453 /nfs/dbraw/zinc/24/94/53/291249453.db2.gz AHFRKXLMGCYXDA-QMMMGPOBSA-N -2 3 311.718 0.857 20 0 DCADHL CC(C)c1nc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)cn1C ZINC000567133367 291338998 /nfs/dbraw/zinc/33/89/98/291338998.db2.gz RNIKCEVSORKRPB-ZJUUUORDSA-N -2 3 313.379 0.851 20 0 DCADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000275290342 212251465 /nfs/dbraw/zinc/25/14/65/212251465.db2.gz PKDXGKUWZMQTAW-LURJTMIESA-N -2 3 315.273 0.710 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c[nH]1 ZINC000275255353 212227423 /nfs/dbraw/zinc/22/74/23/212227423.db2.gz LPBMGSPYPZFPRC-RXMQYKEDSA-N -2 3 301.246 0.402 20 0 DCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c1 ZINC000275174599 212171537 /nfs/dbraw/zinc/17/15/37/212171537.db2.gz COQMJGUUOGMBSK-UHFFFAOYSA-N -2 3 303.384 0.928 20 0 DCADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000275106877 212125036 /nfs/dbraw/zinc/12/50/36/212125036.db2.gz RKDITIUVQALKLK-MRVPVSSYSA-N -2 3 308.743 0.503 20 0 DCADHL Cc1nc(C)c(S(=O)(=O)[N-]CCSCC(=O)[O-])s1 ZINC000275045796 212091405 /nfs/dbraw/zinc/09/14/05/212091405.db2.gz RRXPJZNJGRRTAW-UHFFFAOYSA-N -2 3 310.422 0.856 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000274984264 212057956 /nfs/dbraw/zinc/05/79/56/212057956.db2.gz LYLPOCZIMYVPSY-QMMMGPOBSA-N -3 3 319.310 0.588 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)C(=O)[O-] ZINC000274923919 212035933 /nfs/dbraw/zinc/03/59/33/212035933.db2.gz NKGLIMFWKOZFBG-SSDOTTSWSA-N -2 3 305.308 0.516 20 0 DCADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000570043263 291509047 /nfs/dbraw/zinc/50/90/47/291509047.db2.gz WDSQTBNYQOWWJI-BDAKNGLRSA-N -2 3 315.351 0.197 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nn[n-]n1 ZINC000346340019 254038906 /nfs/dbraw/zinc/03/89/06/254038906.db2.gz DBVSUNOQCCPVOV-UHFFFAOYSA-N -2 3 300.282 0.317 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nnn[n-]1 ZINC000346340019 254038908 /nfs/dbraw/zinc/03/89/08/254038908.db2.gz DBVSUNOQCCPVOV-UHFFFAOYSA-N -2 3 300.282 0.317 20 0 DCADHL CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000035408984 395720920 /nfs/dbraw/zinc/72/09/20/395720920.db2.gz CZPWWTCNOGADRO-JTQLQIEISA-N -2 3 300.336 0.651 20 0 DCADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000037462136 395727486 /nfs/dbraw/zinc/72/74/86/395727486.db2.gz KOSHUYJFAUUTLM-ANLVUFKYSA-N -2 3 311.718 0.591 20 0 DCADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000092326020 395730306 /nfs/dbraw/zinc/73/03/06/395730306.db2.gz ZHFQJYXJJFEPCZ-UHFFFAOYSA-N -2 3 314.323 0.051 20 0 DCADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000270541500 395781287 /nfs/dbraw/zinc/78/12/87/395781287.db2.gz XVAUQVDUDPKENO-SSDOTTSWSA-N -2 3 309.775 0.851 20 0 DCADHL CCn1cc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])nc1C ZINC000050265424 395837971 /nfs/dbraw/zinc/83/79/71/395837971.db2.gz 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ZINC000262519418 396149993 /nfs/dbraw/zinc/14/99/93/396149993.db2.gz MAXYAVGOLTZYJQ-SFYZADRCSA-N -2 3 320.392 0.252 20 0 DCADHL CN(CCCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000262669267 396170826 /nfs/dbraw/zinc/17/08/26/396170826.db2.gz WTEXAKOOLVXOHL-UHFFFAOYSA-N -2 3 320.392 0.350 20 0 DCADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000264458671 396282296 /nfs/dbraw/zinc/28/22/96/396282296.db2.gz GGPRKVXLTXSCCJ-ZETCQYMHSA-N -3 3 322.726 0.331 20 0 DCADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000265448856 396318809 /nfs/dbraw/zinc/31/88/09/396318809.db2.gz YYBUPOLEEGJXGE-NSHDSACASA-N -2 3 309.351 0.787 20 0 DCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1 ZINC000282847949 396291990 /nfs/dbraw/zinc/29/19/90/396291990.db2.gz NOJNFQDNFUMCBX-UHFFFAOYSA-N -2 3 301.368 0.825 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])s1 ZINC000285233198 396348876 /nfs/dbraw/zinc/34/88/76/396348876.db2.gz TULRBSMLEORBLH-QMMMGPOBSA-N -2 3 322.408 0.998 20 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ZINC000663422908 418018212 /nfs/dbraw/zinc/01/82/12/418018212.db2.gz OTMIPRYLSQIERG-LBPRGKRZSA-N -2 3 305.352 0.972 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C[C@@H](C)O)oc1C(=O)[O-] ZINC000663424292 418019056 /nfs/dbraw/zinc/01/90/56/418019056.db2.gz NSXJSJDEJXNGMD-IONNQARKSA-N -2 3 305.352 0.972 20 0 DCADHL COCC[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000656156799 418331891 /nfs/dbraw/zinc/33/18/91/418331891.db2.gz UANWYXACQWEDGE-MRVPVSSYSA-N -2 3 321.326 0.602 20 0 DCADHL C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000656520691 418359757 /nfs/dbraw/zinc/35/97/57/418359757.db2.gz QNYBVOGNNBVVDX-GXFFZTMASA-N -2 3 323.374 0.955 20 0 DCADHL O=C([O-])[C@H](O)C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656528085 418361253 /nfs/dbraw/zinc/36/12/53/418361253.db2.gz OSVUFGFCPXSGHH-SECBINFHSA-N -2 3 311.718 0.344 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000298880163 228810168 /nfs/dbraw/zinc/81/01/68/228810168.db2.gz ZZMMWJBJHPWDLR-ZETCQYMHSA-N -2 3 309.775 0.769 20 0 DCADHL CCc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)OC)n[n-]2)cc1 ZINC000358928832 271082366 /nfs/dbraw/zinc/08/23/66/271082366.db2.gz DCUPPTURNJGJJP-UHFFFAOYSA-N -2 3 324.362 0.883 20 0 DCADHL O=C(C=Cc1cncc([O-])c1)NC1(c2nnn[n-]2)CCCC1 ZINC000492518467 272132792 /nfs/dbraw/zinc/13/27/92/272132792.db2.gz GULPSBNFWZWTSZ-ONEGZZNKSA-N -2 3 300.322 0.899 20 0 DCADHL O=C(C=Cc1cncc([O-])c1)NC1(c2nn[n-]n2)CCCC1 ZINC000492518467 272132795 /nfs/dbraw/zinc/13/27/95/272132795.db2.gz GULPSBNFWZWTSZ-ONEGZZNKSA-N -2 3 300.322 0.899 20 0 DCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CC)C(=O)[O-] ZINC000547878980 288087882 /nfs/dbraw/zinc/08/78/82/288087882.db2.gz CEZBTXJHGMVMEC-SSDOTTSWSA-N -2 3 319.335 0.770 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c1F ZINC000548528500 288150385 /nfs/dbraw/zinc/15/03/85/288150385.db2.gz AYKKPIOFROJOEM-JOYOIKCWSA-N -2 3 317.338 0.902 20 0 DCADHL Cc1nn(C)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000548769418 288174832 /nfs/dbraw/zinc/17/48/32/288174832.db2.gz WVOPYVUFRKTQTP-LURJTMIESA-N -2 3 315.273 0.412 20 0 DCADHL CC1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])Cc2ccccc2C1 ZINC000564920739 288788446 /nfs/dbraw/zinc/78/84/46/288788446.db2.gz KWLWKMHWBHGJMJ-UHFFFAOYSA-N -2 3 321.358 0.944 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c1F ZINC000275124105 302015533 /nfs/dbraw/zinc/01/55/33/302015533.db2.gz UMCRGMPDEJXKIP-QMMMGPOBSA-N -2 3 318.326 0.131 20 0 DCADHL Cc1noc(C[N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC000570629572 332786744 /nfs/dbraw/zinc/78/67/44/332786744.db2.gz LUFSKRCOXQIJJJ-UHFFFAOYSA-N -2 3 311.319 0.484 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H](CO)CC1CC1 ZINC001602589326 1159784703 /nfs/dbraw/zinc/78/47/03/1159784703.db2.gz ZHMJAUXGCSGRDJ-MRVPVSSYSA-N -2 3 320.392 0.528 20 0 DCADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCOC1 ZINC000085855685 545706235 /nfs/dbraw/zinc/70/62/35/545706235.db2.gz MZFRDRGOUKEPLA-LLVKDONJSA-N -2 3 307.274 0.487 20 0 DCADHL CC[C@H](C[N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000681570323 548265822 /nfs/dbraw/zinc/26/58/22/548265822.db2.gz GFBCDKBUPCYFGJ-SNVBAGLBSA-N -2 3 303.384 0.928 20 0 DCADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCC(=O)N2)c1 ZINC000683924207 548538525 /nfs/dbraw/zinc/53/85/25/548538525.db2.gz QIWJYLOSDFLDSK-MRVPVSSYSA-N -2 3 318.376 0.393 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735701778 598855057 /nfs/dbraw/zinc/85/50/57/598855057.db2.gz MEZAAPWLBSTSBT-VIFPVBQESA-N -2 3 323.378 0.964 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735701778 598855058 /nfs/dbraw/zinc/85/50/58/598855058.db2.gz MEZAAPWLBSTSBT-VIFPVBQESA-N -2 3 323.378 0.964 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C ZINC000737300085 598977181 /nfs/dbraw/zinc/97/71/81/598977181.db2.gz WLVCZAGJPQKLSD-PSASIEDQSA-N -2 3 321.362 0.636 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C ZINC000737300085 598977183 /nfs/dbraw/zinc/97/71/83/598977183.db2.gz WLVCZAGJPQKLSD-PSASIEDQSA-N -2 3 321.362 0.636 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822688923 607328149 /nfs/dbraw/zinc/32/81/49/607328149.db2.gz DSPQVPDKQCQXRH-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL COC(=O)CN(CC(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000737609711 600008524 /nfs/dbraw/zinc/00/85/24/600008524.db2.gz DUUWOLVLLFRKPB-UHFFFAOYSA-N -2 3 318.285 0.228 20 0 DCADHL O=C([O-])NCCCC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000739974087 600198335 /nfs/dbraw/zinc/19/83/35/600198335.db2.gz AEHJYQFXABVYFI-UHFFFAOYSA-N -2 3 314.319 0.596 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2ccc(C(=O)[O-])cc2)n[n-]1 ZINC000737630337 600535234 /nfs/dbraw/zinc/53/52/34/600535234.db2.gz FAHHIDTYVTVPQZ-UHFFFAOYSA-N -2 3 304.262 0.471 20 0 DCADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826290069 607462157 /nfs/dbraw/zinc/46/21/57/607462157.db2.gz YUCRXXJJNLOFMH-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL O=S(=O)(Cc1cccc(F)c1)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826486480 607462397 /nfs/dbraw/zinc/46/23/97/607462397.db2.gz DRLJSLDPCUSMHD-UHFFFAOYSA-N -2 3 323.313 0.671 20 0 DCADHL O=S(=O)(Cc1cccc(F)c1)[N-]c1n[nH]cc1-c1nn[n-]n1 ZINC000826486480 607462398 /nfs/dbraw/zinc/46/23/98/607462398.db2.gz DRLJSLDPCUSMHD-UHFFFAOYSA-N -2 3 323.313 0.671 20 0 DCADHL CC(C)C[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000826768916 600774614 /nfs/dbraw/zinc/77/46/14/600774614.db2.gz UPYLSVIKWHWMLC-LBPRGKRZSA-N -2 3 322.361 0.985 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000831192564 600958099 /nfs/dbraw/zinc/95/80/99/600958099.db2.gz OERDPEVEDJBUIC-SFYZADRCSA-N -2 3 310.310 0.350 20 0 DCADHL COC(=O)Cc1nc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n[n-]1 ZINC000831192564 600958100 /nfs/dbraw/zinc/95/81/00/600958100.db2.gz OERDPEVEDJBUIC-SFYZADRCSA-N -2 3 310.310 0.350 20 0 DCADHL CC(C)(CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000387547474 601624057 /nfs/dbraw/zinc/62/40/57/601624057.db2.gz XVMURKCTWMOXOB-UHFFFAOYSA-N -2 3 305.290 0.803 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]C2(CC(N)=O)CCC2)cc1C(=O)[O-] ZINC000833028705 602401444 /nfs/dbraw/zinc/40/14/44/602401444.db2.gz OLZPNEVSPZQBGS-UHFFFAOYSA-N -2 3 316.335 0.363 20 0 DCADHL C[C@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)NC(=O)[O-] ZINC000824646454 603485506 /nfs/dbraw/zinc/48/55/06/603485506.db2.gz ITGAURHJKXDEOM-SECBINFHSA-N -2 3 309.322 0.284 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)o1 ZINC000318776564 604656813 /nfs/dbraw/zinc/65/68/13/604656813.db2.gz HQGSQNZYJZDHDK-MFKMUULPSA-N -2 3 323.326 0.914 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)o1 ZINC000318776566 604656986 /nfs/dbraw/zinc/65/69/86/604656986.db2.gz HQGSQNZYJZDHDK-ZWNOBZJWSA-N -2 3 323.326 0.914 20 0 DCADHL O=C([O-])N1CCO[C@@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000831778864 604666311 /nfs/dbraw/zinc/66/63/11/604666311.db2.gz WNADJUFNCUSQLU-SNVBAGLBSA-N -2 3 318.293 0.184 20 0 DCADHL O=C([O-])N1CCO[C@@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000831778864 604666313 /nfs/dbraw/zinc/66/63/13/604666313.db2.gz WNADJUFNCUSQLU-SNVBAGLBSA-N -2 3 318.293 0.184 20 0 DCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC000833472244 604882299 /nfs/dbraw/zinc/88/22/99/604882299.db2.gz WWUIFZNMQIUHBH-ZCFIWIBFSA-N -3 3 308.337 0.229 20 0 DCADHL CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(C)C ZINC000833719602 605045404 /nfs/dbraw/zinc/04/54/04/605045404.db2.gz ROHBJUFRZNMRNX-HTQZYQBOSA-N -2 3 320.392 0.933 20 0 DCADHL O=C([O-])N1CCC(OC(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000834005963 605415712 /nfs/dbraw/zinc/41/57/12/605415712.db2.gz USIFALFLXWZJAQ-UHFFFAOYSA-N -2 3 322.317 0.808 20 0 DCADHL O=C([O-])N1CC[C@@H](CCC(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000834077082 605534648 /nfs/dbraw/zinc/53/46/48/605534648.db2.gz ANMUUISWNIMXTN-SNVBAGLBSA-N -2 3 320.349 0.847 20 0 DCADHL O=C([O-])N1CC[C@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000834004947 605582946 /nfs/dbraw/zinc/58/29/46/605582946.db2.gz IYJMPSMXDSYYMU-SNVBAGLBSA-N -2 3 321.333 0.238 20 0 DCADHL O=C([O-])NC[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000834218966 605653048 /nfs/dbraw/zinc/65/30/48/605653048.db2.gz DZRASXKTEFQCGZ-QMMMGPOBSA-N -2 3 308.290 0.993 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)[C@H](CC(C)C)NC(=O)[O-])n1 ZINC000737631991 605726331 /nfs/dbraw/zinc/72/63/31/605726331.db2.gz ZNPCKJQPYDBVFD-ZETCQYMHSA-N -2 3 313.314 0.141 20 0 DCADHL COC(=O)Cc1nc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])n[n-]1 ZINC000737631991 605726334 /nfs/dbraw/zinc/72/63/34/605726334.db2.gz ZNPCKJQPYDBVFD-ZETCQYMHSA-N -2 3 313.314 0.141 20 0 DCADHL O=C([O-])CC1(NC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000388753605 607108506 /nfs/dbraw/zinc/10/85/06/607108506.db2.gz DJVDSAAWHLPFHL-UHFFFAOYSA-N -2 3 301.306 0.994 20 0 DCADHL O=C([O-])CC1(NC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000388753605 607108507 /nfs/dbraw/zinc/10/85/07/607108507.db2.gz DJVDSAAWHLPFHL-UHFFFAOYSA-N -2 3 301.306 0.994 20 0 DCADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826268394 608307071 /nfs/dbraw/zinc/30/70/71/608307071.db2.gz VYFZTMXKESAFCU-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL O=C([N-][N-]S(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1 ZINC000016099727 660893138 /nfs/dbraw/zinc/89/31/38/660893138.db2.gz WTRIYSGOUPXHFI-UHFFFAOYSA-N -2 3 313.285 0.983 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CSC)C(=O)[O-])s1 ZINC000903055099 663445795 /nfs/dbraw/zinc/44/57/95/663445795.db2.gz XJHLAVWDGPLBKK-LURJTMIESA-N -2 3 310.422 0.800 20 0 DCADHL CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000064477330 665317782 /nfs/dbraw/zinc/31/77/82/665317782.db2.gz JPYSMDFKVVEDKI-UHFFFAOYSA-N -2 3 314.367 0.548 20 0 DCADHL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[N-]N1CCOC1=O ZINC000862698284 667071615 /nfs/dbraw/zinc/07/16/15/667071615.db2.gz MHLLFNQUVBQHAI-UHFFFAOYSA-N -2 3 317.298 0.294 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)OCc2n[nH]c(=O)[n-]2)c([O-])c1 ZINC000774940453 668852048 /nfs/dbraw/zinc/85/20/48/668852048.db2.gz APKHQKXMPIVAAP-UHFFFAOYSA-N -2 3 320.305 0.388 20 0 DCADHL COC(=O)c1csc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])c1 ZINC000788446810 669440293 /nfs/dbraw/zinc/44/02/93/669440293.db2.gz LBYVWJFACPJFOM-NSCUHMNNSA-N -2 3 305.333 0.454 20 0 DCADHL O=C(c1cc(F)ccc1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC000798148598 669988524 /nfs/dbraw/zinc/98/85/24/669988524.db2.gz JTVBUEMCZCILME-UHFFFAOYSA-N -2 3 307.285 0.168 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)nc1Cl ZINC000841493926 671936225 /nfs/dbraw/zinc/93/62/25/671936225.db2.gz AVWQYWLSLIRQCT-NKWVEPMBSA-N -2 3 307.759 0.605 20 0 DCADHL CC(C)C[C@@](C)(C[N-]S(=O)(=O)c1nncn1C)C(=O)[O-] ZINC001573503322 1163455433 /nfs/dbraw/zinc/45/54/33/1163455433.db2.gz YWLQOFKZWKFKNH-NSHDSACASA-N -2 3 304.372 0.230 20 0 DCADHL CC[C@@H](C[C@@H](C)O)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573686417 1163535819 /nfs/dbraw/zinc/53/58/19/1163535819.db2.gz NRALPORZXAEDOV-SVRRBLITSA-N -2 3 305.356 0.244 20 0 DCADHL COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573921498 1163587095 /nfs/dbraw/zinc/58/70/95/1163587095.db2.gz HFEMICSWMNAHIJ-UHFFFAOYSA-N -2 3 319.339 0.118 20 0 DCADHL COc1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@H]2CO)c([O-])c1 ZINC001574022950 1163625075 /nfs/dbraw/zinc/62/50/75/1163625075.db2.gz FHCMKKWTDOIATO-GZMMTYOYSA-N -2 3 310.306 0.101 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)CC(C)(C)O)c1C(=O)[O-] ZINC001574182686 1163655440 /nfs/dbraw/zinc/65/54/40/1163655440.db2.gz QMMKVQKSMJVPHI-ZCFIWIBFSA-N -2 3 305.356 0.244 20 0 DCADHL Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)C1(CC(=O)[O-])CC1)C2 ZINC001574193313 1163659510 /nfs/dbraw/zinc/65/95/10/1163659510.db2.gz SYJNTYJWNYQWIH-UHFFFAOYSA-N -2 3 313.335 0.143 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])no2)nc1Cl ZINC001574225032 1163669702 /nfs/dbraw/zinc/66/97/02/1163669702.db2.gz WLQAJVIUJILORC-UHFFFAOYSA-N -2 3 320.714 0.238 20 0 DCADHL O=C([O-])NCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001574381108 1163712222 /nfs/dbraw/zinc/71/22/22/1163712222.db2.gz UKZMUQXZGUBFSV-UHFFFAOYSA-N -2 3 318.289 0.973 20 0 DCADHL O=C([O-])NCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001574381108 1163712230 /nfs/dbraw/zinc/71/22/30/1163712230.db2.gz UKZMUQXZGUBFSV-UHFFFAOYSA-N -2 3 318.289 0.973 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CC2(CCC2)CO1 ZINC001574416906 1163717352 /nfs/dbraw/zinc/71/73/52/1163717352.db2.gz CAMIGVQHKCBOQZ-QMMMGPOBSA-N -2 3 315.351 0.345 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001574418064 1163717450 /nfs/dbraw/zinc/71/74/50/1163717450.db2.gz UCSDBZSBOWMMHF-WPRPVWTQSA-N -2 3 315.351 0.344 20 0 DCADHL C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1cccc(-c2nnn[n-]2)c1 ZINC001575321079 1163973115 /nfs/dbraw/zinc/97/31/15/1163973115.db2.gz YSHQFHJUADJBEU-MRVPVSSYSA-N -2 3 313.321 0.797 20 0 DCADHL C[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1cccc(-c2nn[n-]n2)c1 ZINC001575321079 1163973117 /nfs/dbraw/zinc/97/31/17/1163973117.db2.gz YSHQFHJUADJBEU-MRVPVSSYSA-N -2 3 313.321 0.797 20 0 DCADHL C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1nn(C)cc1[O-] ZINC001575339375 1163980723 /nfs/dbraw/zinc/98/07/23/1163980723.db2.gz VQMOCLKGOLSMRW-QMMMGPOBSA-N -2 3 313.321 0.797 20 0 DCADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC001590554374 1166942873 /nfs/dbraw/zinc/94/28/73/1166942873.db2.gz BFWDNDLJNMAYGF-MRVPVSSYSA-N -2 3 313.387 0.921 20 0 DCADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1nn(C)cc1-c1nn[n-]n1 ZINC001590554374 1166942880 /nfs/dbraw/zinc/94/28/80/1166942880.db2.gz BFWDNDLJNMAYGF-MRVPVSSYSA-N -2 3 313.387 0.921 20 0 DCADHL CCCCS(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590611072 1166949078 /nfs/dbraw/zinc/94/90/78/1166949078.db2.gz AGHLBFBTASXIKM-UHFFFAOYSA-N -2 3 315.380 0.788 20 0 DCADHL COC(=O)CCN(CC(=O)[O-])c1ccc(F)cc1-c1nnn[n-]1 ZINC001591265292 1167189096 /nfs/dbraw/zinc/18/90/96/1167189096.db2.gz UBVVGEBCLDULCM-UHFFFAOYSA-N -2 3 323.284 0.460 20 0 DCADHL COC(=O)CCN(CC(=O)[O-])c1ccc(F)cc1-c1nn[n-]n1 ZINC001591265292 1167189097 /nfs/dbraw/zinc/18/90/97/1167189097.db2.gz UBVVGEBCLDULCM-UHFFFAOYSA-N -2 3 323.284 0.460 20 0 DCADHL COCCS(=O)(=O)[N-]c1sc(C)cc1-c1nn[n-]n1 ZINC001591446705 1167288225 /nfs/dbraw/zinc/28/82/25/1167288225.db2.gz VTSJTOJWRNHPBE-UHFFFAOYSA-N -2 3 303.369 0.625 20 0 DCADHL COCCS(=O)(=O)[N-]c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001591446579 1167290139 /nfs/dbraw/zinc/29/01/39/1167290139.db2.gz NWDWQBOWUVYYBK-UHFFFAOYSA-N -2 3 317.758 0.908 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)N=c1nn[n-]n1C1CC1 ZINC001591863356 1167400983 /nfs/dbraw/zinc/40/09/83/1167400983.db2.gz RIMCMFMCGLCSMP-UHFFFAOYSA-N -2 3 311.309 0.171 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)N=c1nn[n-]n1C1CC1 ZINC001591863356 1167400985 /nfs/dbraw/zinc/40/09/85/1167400985.db2.gz RIMCMFMCGLCSMP-UHFFFAOYSA-N -2 3 311.309 0.171 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC001593172334 1167730006 /nfs/dbraw/zinc/73/00/06/1167730006.db2.gz FUMSRAOZRMDRDP-UHFFFAOYSA-N -2 3 319.302 0.578 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC001593172334 1167730011 /nfs/dbraw/zinc/73/00/11/1167730011.db2.gz FUMSRAOZRMDRDP-UHFFFAOYSA-N -2 3 319.302 0.578 20 0 DCADHL O=C([N-]S(=O)(=O)C(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC001593170223 1167730844 /nfs/dbraw/zinc/73/08/44/1167730844.db2.gz HNCHVKSHYSPVLV-UHFFFAOYSA-N -2 3 309.279 0.210 20 0 DCADHL O=C([N-]S(=O)(=O)C(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC001593170223 1167730848 /nfs/dbraw/zinc/73/08/48/1167730848.db2.gz HNCHVKSHYSPVLV-UHFFFAOYSA-N -2 3 309.279 0.210 20 0 DCADHL O=C([O-])C1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001593275006 1167751130 /nfs/dbraw/zinc/75/11/30/1167751130.db2.gz SRVRROWRBDWZGX-UHFFFAOYSA-N -2 3 316.321 0.127 20 0 DCADHL O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)CCO1 ZINC001593276895 1167751704 /nfs/dbraw/zinc/75/17/04/1167751704.db2.gz QTTQUWJQALWFRN-NSHDSACASA-N -2 3 323.740 0.806 20 0 DCADHL O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)CCO1 ZINC001593276895 1167751712 /nfs/dbraw/zinc/75/17/12/1167751712.db2.gz QTTQUWJQALWFRN-NSHDSACASA-N -2 3 323.740 0.806 20 0 DCADHL O=C([O-])C1(CNc2cc(-c3nnn[n-]3)ccn2)CCOCC1 ZINC001593276862 1167751837 /nfs/dbraw/zinc/75/18/37/1167751837.db2.gz VSLAFPMMDNZVPS-UHFFFAOYSA-N -2 3 304.310 0.555 20 0 DCADHL O=C([O-])C1(CNc2cc(-c3nn[n-]n3)ccn2)CCOCC1 ZINC001593276862 1167751842 /nfs/dbraw/zinc/75/18/42/1167751842.db2.gz VSLAFPMMDNZVPS-UHFFFAOYSA-N -2 3 304.310 0.555 20 0 DCADHL O=C([O-])[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001593275463 1167751878 /nfs/dbraw/zinc/75/18/78/1167751878.db2.gz BYIHNKOZERMQCQ-MRVPVSSYSA-N -2 3 310.701 0.205 20 0 DCADHL O=C([O-])[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001593275463 1167751880 /nfs/dbraw/zinc/75/18/80/1167751880.db2.gz BYIHNKOZERMQCQ-MRVPVSSYSA-N -2 3 310.701 0.205 20 0 DCADHL O=C([O-])C1(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001593276606 1167752492 /nfs/dbraw/zinc/75/24/92/1167752492.db2.gz PUQLVMPIZYNCBJ-UHFFFAOYSA-N -2 3 305.269 0.487 20 0 DCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001593278924 1167755318 /nfs/dbraw/zinc/75/53/18/1167755318.db2.gz HGIHTKAGPPRYBJ-KYZUINATSA-N -2 3 323.334 0.008 20 0 DCADHL O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001593278924 1167755327 /nfs/dbraw/zinc/75/53/27/1167755327.db2.gz HGIHTKAGPPRYBJ-KYZUINATSA-N -2 3 323.334 0.008 20 0 DCADHL O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001593279365 1167756237 /nfs/dbraw/zinc/75/62/37/1167756237.db2.gz HOISAZUAQRSSLG-NSHDSACASA-N -2 3 317.305 0.321 20 0 DCADHL O=c1[n-]c(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n[nH]1 ZINC001593497797 1167880914 /nfs/dbraw/zinc/88/09/14/1167880914.db2.gz LZZJMELTNVQGHZ-UHFFFAOYSA-N -2 3 313.325 0.469 20 0 DCADHL O=c1[n-]c(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n[nH]1 ZINC001593497797 1167880933 /nfs/dbraw/zinc/88/09/33/1167880933.db2.gz LZZJMELTNVQGHZ-UHFFFAOYSA-N -2 3 313.325 0.469 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nccc(C(=O)[O-])n3)C2)n1 ZINC001600064686 1168109714 /nfs/dbraw/zinc/10/97/14/1168109714.db2.gz AGLMJGBGTSKOEB-VIFPVBQESA-N -2 3 316.321 0.670 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)oc1C(=O)[O-] ZINC001600300263 1168162115 /nfs/dbraw/zinc/16/21/15/1168162115.db2.gz GEJLJRLSCSYDLQ-BLHGMNIDSA-N -2 3 313.331 0.740 20 0 DCADHL Cc1nc(-c2nnc(N3CCC(C(=O)[O-])CC3)n2C)cc(=O)[n-]1 ZINC001600681331 1168248309 /nfs/dbraw/zinc/24/83/09/1168248309.db2.gz LOBIIXBTMDFRPH-UHFFFAOYSA-N -2 3 318.337 0.587 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1 ZINC001600772333 1168287701 /nfs/dbraw/zinc/28/77/01/1168287701.db2.gz FMVWRYONNNTTOK-UHFFFAOYSA-N -2 3 321.786 0.914 20 0 DCADHL Cc1nocc1C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001600818119 1168475030 /nfs/dbraw/zinc/47/50/30/1168475030.db2.gz JUNDQVQHIOUBIT-UHFFFAOYSA-N -2 3 300.296 0.191 20 0 DCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001601139416 1168596296 /nfs/dbraw/zinc/59/62/96/1168596296.db2.gz LDQZGCZINUFOCX-JTQLQIEISA-N -2 3 324.314 0.483 20 0 DCADHL NCC(F)(F)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001601181217 1168626663 /nfs/dbraw/zinc/62/66/63/1168626663.db2.gz AELGTSDWLGENCI-UHFFFAOYSA-N -2 3 312.269 0.396 20 0 DCADHL O=C([O-])c1ccn(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001601385018 1168728466 /nfs/dbraw/zinc/72/84/66/1168728466.db2.gz GNDIUXWHGLXSLE-UHFFFAOYSA-N -2 3 313.277 0.400 20 0 DCADHL O=C([O-])c1ccn(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001601385018 1168728471 /nfs/dbraw/zinc/72/84/71/1168728471.db2.gz GNDIUXWHGLXSLE-UHFFFAOYSA-N -2 3 313.277 0.400 20 0 DCADHL O=C([O-])c1ccc(NC(=O)[N-]O[C@H](CO)C2CCCC2)nn1 ZINC001601563789 1168783298 /nfs/dbraw/zinc/78/32/98/1168783298.db2.gz QWFBIAHFXOWESI-SNVBAGLBSA-N -2 3 310.310 0.779 20 0 DCADHL O=C([O-])Cc1ccc(NC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001602125661 1169000253 /nfs/dbraw/zinc/00/02/53/1169000253.db2.gz LZLJHLXKLFJIEX-NSHDSACASA-N -2 3 318.333 0.947 20 0 DCADHL O=C([O-])Cc1ccc(S(=O)(=O)NCc2ncccc2[O-])cc1 ZINC001602133379 1169000521 /nfs/dbraw/zinc/00/05/21/1169000521.db2.gz LPIGXRGPSDZZKI-UHFFFAOYSA-N -2 3 322.342 0.893 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)n[nH]1 ZINC001602295857 1169050838 /nfs/dbraw/zinc/05/08/38/1169050838.db2.gz FXSKBBBEFPBUPK-BYPYZUCNSA-N -2 3 314.150 0.580 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)n[nH]1 ZINC001602294471 1169051315 /nfs/dbraw/zinc/05/13/15/1169051315.db2.gz JBMSCHYXGRQAKQ-FPFOFBBKSA-N -2 3 307.278 0.430 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC001602488995 1169090942 /nfs/dbraw/zinc/09/09/42/1169090942.db2.gz OGZLLTPKHBDXDP-VIFPVBQESA-N -2 3 319.335 0.044 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1(n2cccn2)CC1 ZINC001602489298 1169091015 /nfs/dbraw/zinc/09/10/15/1169091015.db2.gz YZNGWCLXRVSFSN-UHFFFAOYSA-N -2 3 311.319 0.642 20 0 DCADHL O=C([O-])c1c(F)cc(NC(=O)NN2CC(=O)[N-]C2=O)cc1F ZINC001602650695 1169145753 /nfs/dbraw/zinc/14/57/53/1169145753.db2.gz ZERHZIHUKOMNLF-UHFFFAOYSA-N -2 3 314.204 0.251 20 0 DCADHL CC(=O)CCCCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001603000332 1169228504 /nfs/dbraw/zinc/22/85/04/1169228504.db2.gz BMMKMGIPRIMSOM-UHFFFAOYSA-N -2 3 317.367 0.926 20 0 DCADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)n1ccnc1 ZINC001603645939 1169341025 /nfs/dbraw/zinc/34/10/25/1169341025.db2.gz RUJLKXQOBFGQIL-UHFFFAOYSA-N -2 3 313.335 0.888 20 0 DCADHL CC(C)(CS(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)C(=O)[O-] ZINC001603659613 1169345021 /nfs/dbraw/zinc/34/50/21/1169345021.db2.gz CRVHJJKPYVRFIL-MRVPVSSYSA-N -2 3 307.290 0.330 20 0 DCADHL C[C@@H](CCC[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001604133523 1169503191 /nfs/dbraw/zinc/50/31/91/1169503191.db2.gz ZAJAUOBUPKBLEE-LURJTMIESA-N -3 3 322.364 0.621 20 0 DCADHL CCN(C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1)[C@@H](C)C(=O)[O-] ZINC001604267140 1169539102 /nfs/dbraw/zinc/53/91/02/1169539102.db2.gz UGXJAUDUFNNYDJ-QMMMGPOBSA-N -2 3 319.321 0.811 20 0 DCADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1)[C@@H](C)C(=O)[O-] ZINC001604267140 1169539104 /nfs/dbraw/zinc/53/91/04/1169539104.db2.gz UGXJAUDUFNNYDJ-QMMMGPOBSA-N -2 3 319.321 0.811 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001604616331 1169632316 /nfs/dbraw/zinc/63/23/16/1169632316.db2.gz QLFBFIRQNWAQFS-LBPRGKRZSA-N -2 3 318.333 0.947 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001605065056 1169802045 /nfs/dbraw/zinc/80/20/45/1169802045.db2.gz MSYYZBLFSIYATR-CQSZACIVSA-N -2 3 318.337 0.498 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001605065056 1169802053 /nfs/dbraw/zinc/80/20/53/1169802053.db2.gz MSYYZBLFSIYATR-CQSZACIVSA-N -2 3 318.337 0.498 20 0 DCADHL CO[N-]C(=O)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001605144079 1169844768 /nfs/dbraw/zinc/84/47/68/1169844768.db2.gz MYEYNXYKCOARSW-UHFFFAOYSA-N -2 3 317.231 0.370 20 0 DCADHL CO[N-]C(=O)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001605144079 1169844774 /nfs/dbraw/zinc/84/47/74/1169844774.db2.gz MYEYNXYKCOARSW-UHFFFAOYSA-N -2 3 317.231 0.370 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H]1C(=O)[O-] ZINC001605801939 1170004424 /nfs/dbraw/zinc/00/44/24/1170004424.db2.gz NICQOWQCSIPQDV-VIFPVBQESA-N -2 3 323.334 0.023 20 0 DCADHL Cc1ccc(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c(=O)[nH]1 ZINC001605821046 1170007924 /nfs/dbraw/zinc/00/79/24/1170007924.db2.gz BQPNLTFINYUTKU-UHFFFAOYSA-N -2 3 312.289 1.000 20 0 DCADHL Cc1ccc(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c(=O)[nH]1 ZINC001605821046 1170007932 /nfs/dbraw/zinc/00/79/32/1170007932.db2.gz BQPNLTFINYUTKU-UHFFFAOYSA-N -2 3 312.289 1.000 20 0 DCADHL Cc1nc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1-c1nnn[n-]1 ZINC001606025509 1170056977 /nfs/dbraw/zinc/05/69/77/1170056977.db2.gz TYFWWFSTMDQJSX-QMMMGPOBSA-N -2 3 316.321 0.648 20 0 DCADHL Cc1nc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1-c1nn[n-]n1 ZINC001606025509 1170056982 /nfs/dbraw/zinc/05/69/82/1170056982.db2.gz TYFWWFSTMDQJSX-QMMMGPOBSA-N -2 3 316.321 0.648 20 0 DCADHL Cn1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001606243842 1170134658 /nfs/dbraw/zinc/13/46/58/1170134658.db2.gz UMPBCBWFFXFNCG-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001606243842 1170134660 /nfs/dbraw/zinc/13/46/60/1170134660.db2.gz UMPBCBWFFXFNCG-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606262071 1170139308 /nfs/dbraw/zinc/13/93/08/1170139308.db2.gz MNYAMYBGFROHEG-BDAKNGLRSA-N -2 3 316.335 0.171 20 0 DCADHL O=C([N-]OC/C=C\Cl)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606863322 1170316397 /nfs/dbraw/zinc/31/63/97/1170316397.db2.gz VOYBRTOZIFRELV-IKHYVWBUSA-N -2 3 309.713 0.700 20 0 DCADHL O=C([N-]OC/C=C\Cl)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606863322 1170316404 /nfs/dbraw/zinc/31/64/04/1170316404.db2.gz VOYBRTOZIFRELV-IKHYVWBUSA-N -2 3 309.713 0.700 20 0 DCADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001607217196 1170415451 /nfs/dbraw/zinc/41/54/51/1170415451.db2.gz LSFKRQVAKAAEAJ-UHFFFAOYSA-N -3 3 317.319 1.000 20 0 DCADHL COc1ncc(S(=O)(=O)[N-]Cc2ccoc2C(=O)[O-])s1 ZINC001607361011 1170435265 /nfs/dbraw/zinc/43/52/65/1170435265.db2.gz QCHBAYGTUURBQE-UHFFFAOYSA-N -2 3 318.332 0.921 20 0 DCADHL CS(C)(=O)=NS(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCCCC1 ZINC001607387804 1170435868 /nfs/dbraw/zinc/43/58/68/1170435868.db2.gz QZPCDFQLCXVGCO-SECBINFHSA-N -2 3 312.413 0.582 20 0 DCADHL C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](C(=O)[O-])O1 ZINC001607434796 1170452513 /nfs/dbraw/zinc/45/25/13/1170452513.db2.gz NMIOZTHKMAOKCY-OTYXRUKQSA-N -2 3 316.313 0.842 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCOC2)oc1C(=O)[O-] ZINC001607705391 1170497696 /nfs/dbraw/zinc/49/76/96/1170497696.db2.gz MLVPFQISCMWYFP-IUCAKERBSA-N -2 3 303.336 0.990 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@]23C[C@@H]2COC3(C)C)c1C(=O)[O-] ZINC001607939701 1170529103 /nfs/dbraw/zinc/52/91/03/1170529103.db2.gz FDVLTTUSSNEGGK-KRTXAFLBSA-N -2 3 315.351 0.262 20 0 DCADHL Cc1noc(C2([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC2)n1 ZINC001608025534 1170551518 /nfs/dbraw/zinc/55/15/18/1170551518.db2.gz WXSUHDDVMZQLCF-UHFFFAOYSA-N -2 3 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/nfs/dbraw/zinc/17/66/37/606176637.db2.gz AYEMZHXECDIURG-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL CCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820943756 606176638 /nfs/dbraw/zinc/17/66/38/606176638.db2.gz AYEMZHXECDIURG-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820314895 607109456 /nfs/dbraw/zinc/10/94/56/607109456.db2.gz LRFFZPHKHPAWDU-YUMQZZPRSA-N -2 3 305.294 0.223 20 0 DCADHL C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820314895 607109457 /nfs/dbraw/zinc/10/94/57/607109457.db2.gz LRFFZPHKHPAWDU-YUMQZZPRSA-N -2 3 305.294 0.223 20 0 DCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1cc(Cl)ccc1[O-] ZINC000823131775 607233631 /nfs/dbraw/zinc/23/36/31/607233631.db2.gz NXRCZUDEULGUEE-UHFFFAOYSA-N -2 3 320.700 0.456 20 0 DCADHL O=C(CNc1ccc(-c2nnn[n-]2)cn1)[N-]OC1CCCC1 ZINC000826414063 608569446 /nfs/dbraw/zinc/56/94/46/608569446.db2.gz CUSSUFXJZGWRNW-UHFFFAOYSA-N -2 3 303.326 0.664 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)[N-]OC1CCCC1 ZINC000826414063 608569448 /nfs/dbraw/zinc/56/94/48/608569448.db2.gz CUSSUFXJZGWRNW-UHFFFAOYSA-N -2 3 303.326 0.664 20 0 DCADHL Cc1nc(C)c(-c2nnn[n-]2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000826324141 608669571 /nfs/dbraw/zinc/66/95/71/608669571.db2.gz GDMBLRBVQMORSP-UHFFFAOYSA-N -2 3 305.327 0.390 20 0 DCADHL Cc1nc(C)c(-c2nn[n-]n2)c(SCc2n[nH]c(=O)[n-]2)n1 ZINC000826324141 608669572 /nfs/dbraw/zinc/66/95/72/608669572.db2.gz GDMBLRBVQMORSP-UHFFFAOYSA-N -2 3 305.327 0.390 20 0 DCADHL N#Cc1cccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c1 ZINC000065833068 658691253 /nfs/dbraw/zinc/69/12/53/658691253.db2.gz DMWVJSYHPJHJTQ-UHFFFAOYSA-N -2 3 308.363 0.993 20 0 DCADHL COc1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc(OC)c1[O-] ZINC000910798503 663938809 /nfs/dbraw/zinc/93/88/09/663938809.db2.gz NVPHIDNBRMIMEU-GDGBQDQQSA-N -2 3 307.302 0.812 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@@H](COC(C)C)C(=O)[O-])s1 ZINC000863416747 667141162 /nfs/dbraw/zinc/14/11/62/667141162.db2.gz MGBFWTLDHYFWEE-QMMMGPOBSA-N -2 3 308.381 0.608 20 0 DCADHL CN(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761235682 668316946 /nfs/dbraw/zinc/31/69/46/668316946.db2.gz XOMQFJKRXZMEJN-UHFFFAOYSA-N -2 3 308.306 0.503 20 0 DCADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776612203 668879348 /nfs/dbraw/zinc/87/93/48/668879348.db2.gz AYMIHVVYYCOGKZ-APPZFPTMSA-N -2 3 322.770 0.628 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OCC1CCC1 ZINC000857338678 670910950 /nfs/dbraw/zinc/91/09/50/670910950.db2.gz CNNDVJUGXXLCMQ-UHFFFAOYSA-N -2 3 317.367 0.418 20 0 DCADHL O=C(N[C@@H]1[C@H]2CN(Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccccc1[O-] ZINC000958279779 687506682 /nfs/dbraw/zinc/50/66/82/687506682.db2.gz PRGVFWMFAFSTHM-IWIIMEHWSA-N -2 3 315.333 0.076 20 0 DCADHL CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573729785 1163544812 /nfs/dbraw/zinc/54/48/12/1163544812.db2.gz YWIZDTRNDFXROC-VXNVDRBHSA-N -2 3 305.356 0.183 20 0 DCADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001574010534 1163623413 /nfs/dbraw/zinc/62/34/13/1163623413.db2.gz NNJWVHGUJVODAL-UHFFFAOYSA-N -2 3 308.250 0.185 20 0 DCADHL CSC[C@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC001574096206 1163634113 /nfs/dbraw/zinc/63/41/13/1163634113.db2.gz BGTNXCZJQTVVTQ-VIFPVBQESA-N -2 3 307.331 0.881 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001574193182 1163658972 /nfs/dbraw/zinc/65/89/72/1163658972.db2.gz REKWUIIFMFWBCI-NTZNESFSSA-N -2 3 305.334 0.602 20 0 DCADHL CC(C)[C@@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589446021 1166659446 /nfs/dbraw/zinc/65/94/46/1166659446.db2.gz AFCJQSJGKAUGCV-GFCCVEGCSA-N -2 3 317.349 0.882 20 0 DCADHL CC(C)n1nnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001589785462 1166686154 /nfs/dbraw/zinc/68/61/54/1166686154.db2.gz DPXDDAJOYHHVKA-UHFFFAOYSA-N -2 3 315.297 0.392 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001590015710 1166752704 /nfs/dbraw/zinc/75/27/04/1166752704.db2.gz KNSYHOXWYIFFFK-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001590015710 1166752707 /nfs/dbraw/zinc/75/27/07/1166752707.db2.gz KNSYHOXWYIFFFK-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590015733 1166754106 /nfs/dbraw/zinc/75/41/06/1166754106.db2.gz KROQJKLLDZTVNR-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@H](C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001590015733 1166754111 /nfs/dbraw/zinc/75/41/11/1166754111.db2.gz KROQJKLLDZTVNR-RNFRBKRXSA-N -2 3 323.284 0.823 20 0 DCADHL CC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590856539 1167038746 /nfs/dbraw/zinc/03/87/46/1167038746.db2.gz BVEALGVZKSPIHD-GZMMTYOYSA-N -2 3 319.321 0.613 20 0 DCADHL COC[C@@H](C)n1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001591375230 1167248216 /nfs/dbraw/zinc/24/82/16/1167248216.db2.gz NBSUEFQCWYVMDG-SECBINFHSA-N -2 3 300.322 0.838 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cncnc1 ZINC001592111321 1167459410 /nfs/dbraw/zinc/45/94/10/1167459410.db2.gz KKEKUXNDVZETLG-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL O=C([N-]S(=O)(=O)C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001593170835 1167729033 /nfs/dbraw/zinc/72/90/33/1167729033.db2.gz RKOFFNXJDXECPU-UHFFFAOYSA-N -2 3 307.335 0.479 20 0 DCADHL O=C([N-]S(=O)(=O)C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001593170835 1167729041 /nfs/dbraw/zinc/72/90/41/1167729041.db2.gz RKOFFNXJDXECPU-UHFFFAOYSA-N -2 3 307.335 0.479 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C12CC(C1)C2 ZINC001593172984 1167731595 /nfs/dbraw/zinc/73/15/95/1167731595.db2.gz MYWCBIMJYUHYSC-UHFFFAOYSA-N -2 3 319.346 0.472 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C12CC(C1)C2 ZINC001593172984 1167731600 /nfs/dbraw/zinc/73/16/00/1167731600.db2.gz MYWCBIMJYUHYSC-UHFFFAOYSA-N -2 3 319.346 0.472 20 0 DCADHL O=C([O-])CCCNc1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001593277811 1167751584 /nfs/dbraw/zinc/75/15/84/1167751584.db2.gz ILOMHCKAULSVSC-UHFFFAOYSA-N -2 3 304.310 0.611 20 0 DCADHL O=C([O-])CCCNc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001593277811 1167751589 /nfs/dbraw/zinc/75/15/89/1167751589.db2.gz ILOMHCKAULSVSC-UHFFFAOYSA-N -2 3 304.310 0.611 20 0 DCADHL O=C([O-])[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001593275596 1167752166 /nfs/dbraw/zinc/75/21/66/1167752166.db2.gz DAPAUWVBDNZOJT-SNVBAGLBSA-N -2 3 318.293 0.184 20 0 DCADHL O=C([O-])[C@]12COC[C@H]1CN(c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC001593279237 1167755701 /nfs/dbraw/zinc/75/57/01/1167755701.db2.gz ZCAGGNIOJPNWNY-XLKFXECMSA-N -2 3 319.296 0.543 20 0 DCADHL O=C([O-])[C@]12COC[C@H]1CN(c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC001593279237 1167755709 /nfs/dbraw/zinc/75/57/09/1167755709.db2.gz ZCAGGNIOJPNWNY-XLKFXECMSA-N -2 3 319.296 0.543 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001593490047 1167875779 /nfs/dbraw/zinc/87/57/79/1167875779.db2.gz VMZWJCRXBPCTQL-VIFPVBQESA-N -2 3 314.309 0.734 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCN2CC=CCC2)oc1C(=O)[O-] ZINC001600300089 1168162086 /nfs/dbraw/zinc/16/20/86/1168162086.db2.gz YLONVJWFMIMVEM-UHFFFAOYSA-N -2 3 314.363 0.826 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C)C2)c1C(=O)[O-] ZINC001600672878 1168245361 /nfs/dbraw/zinc/24/53/61/1168245361.db2.gz JPQGBLLSHXRKPI-HTRCEHHLSA-N -2 3 303.340 0.262 20 0 DCADHL Cn1cnc(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC001600989294 1168547887 /nfs/dbraw/zinc/54/78/87/1168547887.db2.gz FMTFQCLXJRJCHE-UHFFFAOYSA-N -2 3 314.298 0.131 20 0 DCADHL Cn1nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1C(=O)[O-] ZINC001601015789 1168563714 /nfs/dbraw/zinc/56/37/14/1168563714.db2.gz UCPTZXKWLMGVGR-UHFFFAOYSA-N -2 3 303.278 0.744 20 0 DCADHL Cn1ncc2c1nc(SCc1cn(CC(=O)[O-])nn1)[n-]c2=O ZINC001601030564 1168572840 /nfs/dbraw/zinc/57/28/40/1168572840.db2.gz CQYSELNSIOCQOO-UHFFFAOYSA-N -2 3 321.322 0.037 20 0 DCADHL O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601408815 1168734728 /nfs/dbraw/zinc/73/47/28/1168734728.db2.gz LSCCVNDXCLIRTO-KOLCDFICSA-N -2 3 321.333 0.812 20 0 DCADHL O=C([O-])c1cccc(NC(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001601495202 1168765635 /nfs/dbraw/zinc/76/56/35/1168765635.db2.gz UKJOIMKBWHNEGF-MRVPVSSYSA-N -2 3 305.294 0.413 20 0 DCADHL O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1cnn2ccccc12 ZINC001601665019 1168810288 /nfs/dbraw/zinc/81/02/88/1168810288.db2.gz SAZCWQHBMYNNPO-UHFFFAOYSA-N -2 3 305.262 0.333 20 0 DCADHL O=C([O-])CCN1CC[C@H](N2CCC[C@@H](c3n[n-]c(=O)o3)C2)C1=O ZINC001602010667 1168961861 /nfs/dbraw/zinc/96/18/61/1168961861.db2.gz YZTZQYDAHKMKII-ZJUUUORDSA-N -2 3 324.337 0.030 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC001602197202 1169023396 /nfs/dbraw/zinc/02/33/96/1169023396.db2.gz WFPFXQATXHDBLH-XVKPBYJWSA-N -2 3 305.265 0.973 20 0 DCADHL O=C([O-])c1ccn(CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC001602477463 1169086723 /nfs/dbraw/zinc/08/67/23/1169086723.db2.gz VYUIKSLFACDTJI-QMMMGPOBSA-N -2 3 305.294 0.026 20 0 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Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)CN(C)C(=O)[O-])C2)n1 ZINC001571158059 961887592 /nfs/dbraw/zinc/88/75/92/961887592.db2.gz GCYDQSBTFRBAPN-JTQLQIEISA-N -2 3 323.353 0.185 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2CCOC[C@H]2CC(=O)[O-])c(=O)[n-]1 ZINC000321141930 970747140 /nfs/dbraw/zinc/74/71/40/970747140.db2.gz FRBMNUNKOFWPDL-LLVKDONJSA-N -2 3 323.349 0.434 20 0 DCADHL C[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C(=O)[O-] ZINC001603425093 973141382 /nfs/dbraw/zinc/14/13/82/973141382.db2.gz DKXPZAPVUSGERF-QPUJVOFHSA-N -2 3 316.313 0.753 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001605421065 973443543 /nfs/dbraw/zinc/44/35/43/973443543.db2.gz OYBAKYPLQDSACM-UHFFFAOYSA-N -2 3 305.294 0.343 20 0 DCADHL C[C@@H](CC(=O)[O-])C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC001592361778 977850632 /nfs/dbraw/zinc/85/06/32/977850632.db2.gz BIYNTRSBIXOCQN-ZETCQYMHSA-N -2 3 307.306 0.632 20 0 DCADHL CC1(C)CO[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000717325429 977892800 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DCADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)N1CCCC1 ZINC001599902622 984868084 /nfs/dbraw/zinc/86/80/84/984868084.db2.gz IIUMOCZHPGIOKK-QMMMGPOBSA-N -2 3 316.335 0.267 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2C(=O)[O-])c1 ZINC001589199700 985637543 /nfs/dbraw/zinc/63/75/43/985637543.db2.gz ZCNSWQGFOWTUDW-NSHDSACASA-N -2 3 324.358 0.993 20 0 DCADHL C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001594684054 987045084 /nfs/dbraw/zinc/04/50/84/987045084.db2.gz KRVXUTCOQFBLIS-ZBJFTSOASA-N -2 3 303.336 0.892 20 0 DCADHL CCc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c([O-])c1 ZINC001597500855 988059574 /nfs/dbraw/zinc/05/95/74/988059574.db2.gz YNHMRFGUZVHGCG-NSHDSACASA-N -2 3 306.318 0.370 20 0 DCADHL CN(C)Cc1cccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001598253462 991044671 /nfs/dbraw/zinc/04/46/71/991044671.db2.gz RERISLBZTTUACG-UHFFFAOYSA-N -2 3 323.349 0.599 20 0 DCADHL COc1ncc(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCOC2)s1 ZINC001599735492 991768579 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COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1F)C(=O)[O-] ZINC000571733315 291529678 /nfs/dbraw/zinc/52/96/78/291529678.db2.gz PBHPQXLEADHBNU-SECBINFHSA-N -2 3 307.299 0.212 20 0 DCADHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000572153324 291552188 /nfs/dbraw/zinc/55/21/88/291552188.db2.gz PZIGAYOJHFLPTG-SCZZXKLOSA-N -2 3 317.367 0.443 20 0 DCADHL O=C([O-])c1cccc(S(=O)(=O)[N-]CC2CC2)c1[N+](=O)[O-] ZINC000572247927 291556901 /nfs/dbraw/zinc/55/69/01/291556901.db2.gz SJVDXQNACMGLBH-UHFFFAOYSA-N -2 3 300.292 0.981 20 0 DCADHL CS(=O)(=O)CCS(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000063142383 184273726 /nfs/dbraw/zinc/27/37/26/184273726.db2.gz CWRXAOSKMSDVSZ-UHFFFAOYSA-N -2 3 321.376 0.100 20 0 DCADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-] ZINC000275661620 130357251 /nfs/dbraw/zinc/35/72/51/130357251.db2.gz OXMOHEJUVIJJSC-ZDUSSCGKSA-N -2 3 319.354 0.886 20 0 DCADHL COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000273386449 395917870 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O=C([O-])c1nc[nH]c1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001574330945 1163697532 /nfs/dbraw/zinc/69/75/32/1163697532.db2.gz GYRYZJOFRCDSPP-UHFFFAOYSA-N -2 3 303.278 0.411 20 0 DCADHL O=C([O-])c1cnc(N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cn1 ZINC001574417291 1163717571 /nfs/dbraw/zinc/71/75/71/1163717571.db2.gz JEHXCIYAJBTSOI-MRVPVSSYSA-N -2 3 302.294 0.361 20 0 DCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(C)(C)O ZINC001590030881 1166758228 /nfs/dbraw/zinc/75/82/28/1166758228.db2.gz GGVSGXWOQLCFQK-VIFPVBQESA-N -2 3 321.337 0.453 20 0 DCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(C)(C)O ZINC001590030881 1166758235 /nfs/dbraw/zinc/75/82/35/1166758235.db2.gz GGVSGXWOQLCFQK-VIFPVBQESA-N -2 3 321.337 0.453 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC001590645458 1166961187 /nfs/dbraw/zinc/96/11/87/1166961187.db2.gz VSGAWJOFBJOMMG-UHFFFAOYSA-N -2 3 308.273 0.402 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001590645458 1166961194 /nfs/dbraw/zinc/96/11/94/1166961194.db2.gz 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ZINC001593172033 1167730728 /nfs/dbraw/zinc/73/07/28/1167730728.db2.gz BTYKGHBXMOAXNN-UHFFFAOYSA-N -2 3 319.346 0.472 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)C12CC(C1)C2 ZINC001593172033 1167730735 /nfs/dbraw/zinc/73/07/35/1167730735.db2.gz BTYKGHBXMOAXNN-UHFFFAOYSA-N -2 3 319.346 0.472 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)O1 ZINC001593272495 1167749845 /nfs/dbraw/zinc/74/98/45/1167749845.db2.gz BUNMXFPFYJNWIQ-VHSXEESVSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)O1 ZINC001593272495 1167749850 /nfs/dbraw/zinc/74/98/50/1167749850.db2.gz BUNMXFPFYJNWIQ-VHSXEESVSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001593278974 1167753725 /nfs/dbraw/zinc/75/37/25/1167753725.db2.gz JMJRDISKQBMSKF-DTORHVGOSA-N -2 3 323.334 0.008 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593278974 1167753732 /nfs/dbraw/zinc/75/37/32/1167753732.db2.gz 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Cc1nc(C[N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)no1 ZINC001600701753 1168258397 /nfs/dbraw/zinc/25/83/97/1168258397.db2.gz MRHWNMYAUMOAFK-UHFFFAOYSA-N -2 3 317.367 0.833 20 0 DCADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)[C@H]1CCOC1 ZINC001601650758 1168802978 /nfs/dbraw/zinc/80/29/78/1168802978.db2.gz FPQBMFHEHXGKFQ-BQBZGAKWSA-N -2 3 323.758 0.079 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001602176603 1169017194 /nfs/dbraw/zinc/01/71/94/1169017194.db2.gz JYHYCYAXUSVXRO-MNOVXSKESA-N -2 3 317.305 0.115 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)[N-]Cc2nc(C3CC3)no2)C1 ZINC001602179152 1169018610 /nfs/dbraw/zinc/01/86/10/1169018610.db2.gz QKWZQMILEGNVRI-BDAKNGLRSA-N -2 3 315.351 0.620 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ncccc1F ZINC001602488565 1169091606 /nfs/dbraw/zinc/09/16/06/1169091606.db2.gz PLHKKKPVISQISZ-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC001602556265 1169116195 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CCn1ncc(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n1 ZINC000863428894 667143015 /nfs/dbraw/zinc/14/30/15/667143015.db2.gz HHFNGNOCYVIJCJ-UHFFFAOYSA-N -2 3 314.323 0.376 20 0 DCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cccc(F)n2)s1 ZINC000754409600 668045280 /nfs/dbraw/zinc/04/52/80/668045280.db2.gz NOYIZFCAKZKEFA-UHFFFAOYSA-N -2 3 317.327 0.696 20 0 DCADHL CNC(=O)[N-][N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000078239674 669989546 /nfs/dbraw/zinc/98/95/46/669989546.db2.gz XHXOMOUQPHZMBV-UHFFFAOYSA-N -2 3 313.314 0.134 20 0 DCADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000830790283 671640830 /nfs/dbraw/zinc/64/08/30/671640830.db2.gz QYZRCFZXUXJNJJ-NSHDSACASA-N -2 3 318.255 0.465 20 0 DCADHL COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844790409 672202588 /nfs/dbraw/zinc/20/25/88/672202588.db2.gz XYCRODMUJXSHJH-SSDOTTSWSA-N -2 3 312.706 0.252 20 0 DCADHL CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573675562 1163533920 /nfs/dbraw/zinc/53/39/20/1163533920.db2.gz 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C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1nn(C)cc1[O-] ZINC001575320009 1163973030 /nfs/dbraw/zinc/97/30/30/1163973030.db2.gz PWAHARKTXHGGCH-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1nn(C)cc1[O-] ZINC001575320009 1163973035 /nfs/dbraw/zinc/97/30/35/1163973035.db2.gz PWAHARKTXHGGCH-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL CC(C)n1cnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001589783922 1166685895 /nfs/dbraw/zinc/68/58/95/1166685895.db2.gz WQXCUYUEXHDYGQ-UHFFFAOYSA-N -2 3 314.309 0.997 20 0 DCADHL C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589858470 1166701396 /nfs/dbraw/zinc/70/13/96/1166701396.db2.gz QSPUITYMDPRLPO-IUCAKERBSA-N -2 3 318.337 0.948 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001590015708 1166753667 /nfs/dbraw/zinc/75/36/67/1166753667.db2.gz KNSYHOXWYIFFFK-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H](O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001590015708 1166753672 /nfs/dbraw/zinc/75/36/72/1166753672.db2.gz KNSYHOXWYIFFFK-NKWVEPMBSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)c(N)n1 ZINC001590226772 1166822580 /nfs/dbraw/zinc/82/25/80/1166822580.db2.gz SUHYAMXIUUCFKY-HTQZYQBOSA-N -2 3 303.326 0.533 20 0 DCADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590535406 1166936831 /nfs/dbraw/zinc/93/68/31/1166936831.db2.gz PHWHKBAVIQVEDZ-YWEYNIOJSA-N -2 3 322.350 0.423 20 0 DCADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590535406 1166936843 /nfs/dbraw/zinc/93/68/43/1166936843.db2.gz PHWHKBAVIQVEDZ-YWEYNIOJSA-N -2 3 322.350 0.423 20 0 DCADHL CSc1nc(=O)n(Cc2ccc(-c3nn[n-]n3)c(C)c2)[n-]1 ZINC001591720635 1167360698 /nfs/dbraw/zinc/36/06/98/1167360698.db2.gz DKROCNINDKSIDS-UHFFFAOYSA-N -2 3 303.351 0.830 20 0 DCADHL Cc1c(Cl)cnc(N2CCO[C@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001591821048 1167387619 /nfs/dbraw/zinc/38/76/19/1167387619.db2.gz FNKPIOGOUWDSPY-QMMMGPOBSA-N -2 3 324.728 0.513 20 0 DCADHL Cc1c(Cl)cnc(N2CCO[C@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001591821048 1167387624 /nfs/dbraw/zinc/38/76/24/1167387624.db2.gz FNKPIOGOUWDSPY-QMMMGPOBSA-N -2 3 324.728 0.513 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C1CN(CC(F)F)C1 ZINC001593170374 1167729450 /nfs/dbraw/zinc/72/94/50/1167729450.db2.gz GTISLECSUFYZQJ-UHFFFAOYSA-N -2 3 324.291 0.474 20 0 DCADHL O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(F)c([O-])c(F)c1 ZINC001593196999 1167735992 /nfs/dbraw/zinc/73/59/92/1167735992.db2.gz CMKIAQJYJRQXQC-UHFFFAOYSA-N -2 3 307.220 0.826 20 0 DCADHL O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(F)c([O-])c(F)c1 ZINC001593196999 1167735998 /nfs/dbraw/zinc/73/59/98/1167735998.db2.gz CMKIAQJYJRQXQC-UHFFFAOYSA-N -2 3 307.220 0.826 20 0 DCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccoc1 ZINC001593444971 1167846143 /nfs/dbraw/zinc/84/61/43/1167846143.db2.gz WXNRLIHQQNVNBY-UHFFFAOYSA-N -2 3 307.291 0.966 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)n1 ZINC001600064624 1168109964 /nfs/dbraw/zinc/10/99/64/1168109964.db2.gz XHQCTXKFOLBWNN-VHSXEESVSA-N -2 3 309.322 0.377 20 0 DCADHL Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC001600387133 1168177286 /nfs/dbraw/zinc/17/72/86/1168177286.db2.gz UYQGWKALDRDLLL-MRVPVSSYSA-N -2 3 315.303 0.891 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCOC2)c1C(=O)[O-] ZINC001600673364 1168242738 /nfs/dbraw/zinc/24/27/38/1168242738.db2.gz OYGZZHUABFMRNF-APPZFPTMSA-N -2 3 317.367 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)Cc2cccnc2)c1C(=O)[O-] ZINC001600673417 1168245758 /nfs/dbraw/zinc/24/57/58/1168245758.db2.gz QBUHFDVUCCLRMJ-MRVPVSSYSA-N -2 3 324.362 0.721 20 0 DCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)n1 ZINC001600804722 1168300550 /nfs/dbraw/zinc/30/05/50/1168300550.db2.gz ZXEGEFADDXGOEY-ZETCQYMHSA-N -2 3 303.340 0.613 20 0 DCADHL Cc1nonc1C[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001600819020 1168474392 /nfs/dbraw/zinc/47/43/92/1168474392.db2.gz YBZIQDHBYRYABW-UHFFFAOYSA-N -2 3 311.319 0.484 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)nc1Cl ZINC001600969092 1168536929 /nfs/dbraw/zinc/53/69/29/1168536929.db2.gz UFFDKYRXQOKGRP-QMMMGPOBSA-N -2 3 321.786 0.853 20 0 DCADHL NC(=O)C1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCCCC1 ZINC001601140322 1168595360 /nfs/dbraw/zinc/59/53/60/1168595360.db2.gz BVIDRLSVFPJNGJ-UHFFFAOYSA-N -2 3 316.335 0.444 20 0 DCADHL O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001601574073 1168787739 /nfs/dbraw/zinc/78/77/39/1168787739.db2.gz OUJSLTWCLCYXTK-RBLKWDMZSA-N -2 3 318.329 0.490 20 0 DCADHL O=C([O-])C[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC001601893495 1168926974 /nfs/dbraw/zinc/92/69/74/1168926974.db2.gz BUUBNHVTHBUOJK-SNVBAGLBSA-N -2 3 316.313 0.801 20 0 DCADHL O=C([O-])C[C@]1(NCc2cc(=O)n3[n-]ccc3n2)CCCOC1 ZINC001601935870 1168939858 /nfs/dbraw/zinc/93/98/58/1168939858.db2.gz BIAXHRGXLXTAPQ-CQSZACIVSA-N -2 3 306.322 0.136 20 0 DCADHL O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601963318 1168949410 /nfs/dbraw/zinc/94/94/10/1168949410.db2.gz QZVSHGFRTVDXQT-SECBINFHSA-N -2 3 307.306 0.375 20 0 DCADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCc3c(=O)[n-]cnc3C2)O1 ZINC001602035552 1168972617 /nfs/dbraw/zinc/97/26/17/1168972617.db2.gz WQFGCEKLADXKNS-JOYOIKCWSA-N -2 3 321.333 0.479 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1(c2ncccn2)CCC1 ZINC001602507636 1169101771 /nfs/dbraw/zinc/10/17/71/1169101771.db2.gz GCHRNGZDNQCRBU-UHFFFAOYSA-N -2 3 323.334 0.256 20 0 DCADHL C[C@@H](C(=O)NC1CC1)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001603154933 1169258930 /nfs/dbraw/zinc/25/89/30/1169258930.db2.gz DAPMFSMOKPGJEN-YNSLKZHWSA-N -2 3 310.350 0.151 20 0 DCADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001603191126 1169270445 /nfs/dbraw/zinc/27/04/45/1169270445.db2.gz OXTAFSSPRNDXLW-LURJTMIESA-N -3 3 303.292 0.509 20 0 DCADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001603191128 1169272638 /nfs/dbraw/zinc/27/26/38/1169272638.db2.gz OXTAFSSPRNDXLW-ZCFIWIBFSA-N -3 3 303.292 0.509 20 0 DCADHL C[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1nn(C)cc1[O-] ZINC001603650853 1169341978 /nfs/dbraw/zinc/34/19/78/1169341978.db2.gz YIEMWZVPLRGMHA-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1nn(C)cc1[O-] ZINC001603650853 1169341988 /nfs/dbraw/zinc/34/19/88/1169341988.db2.gz YIEMWZVPLRGMHA-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL CC[C@H](CS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1)OC ZINC001604040338 1169477236 /nfs/dbraw/zinc/47/72/36/1169477236.db2.gz ZYOSVYVKNCLFIG-SECBINFHSA-N -2 3 312.355 0.428 20 0 DCADHL C[C@@](CC(=O)[O-])(NC(=O)c1cc(=O)[n-]cn1)c1ccncc1 ZINC001604085770 1169488058 /nfs/dbraw/zinc/48/80/58/1169488058.db2.gz NDRZGQMRMNFATB-AWEZNQCLSA-N -2 3 302.290 0.697 20 0 DCADHL CCOCCO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001604434829 1169592980 /nfs/dbraw/zinc/59/29/80/1169592980.db2.gz QNQVJXZMPLKQSX-UHFFFAOYSA-N -2 3 306.326 0.363 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)NCCCC(=O)[O-] ZINC001605176157 1169857800 /nfs/dbraw/zinc/85/78/00/1169857800.db2.gz DASGMIFPOFQOEA-UHFFFAOYSA-N -2 3 320.309 0.862 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)NCCCC(=O)[O-] ZINC001605176157 1169857809 /nfs/dbraw/zinc/85/78/09/1169857809.db2.gz DASGMIFPOFQOEA-UHFFFAOYSA-N -2 3 320.309 0.862 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)[O-] ZINC001605354487 1169902701 /nfs/dbraw/zinc/90/27/01/1169902701.db2.gz DPCGRFCFDXYTHM-SSDOTTSWSA-N -3 3 305.308 0.818 20 0 DCADHL O=C([N-]OC/C=C/Cl)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001606863323 1170317085 /nfs/dbraw/zinc/31/70/85/1170317085.db2.gz VOYBRTOZIFRELV-KJTBDMATSA-N -2 3 309.713 0.700 20 0 DCADHL O=C([N-]OC/C=C/Cl)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001606863323 1170317079 /nfs/dbraw/zinc/31/70/79/1170317079.db2.gz VOYBRTOZIFRELV-KJTBDMATSA-N -2 3 309.713 0.700 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001607088165 1170385893 /nfs/dbraw/zinc/38/58/93/1170385893.db2.gz GQJKUJAZSMOFTR-SSDOTTSWSA-N -2 3 315.297 0.129 20 0 DCADHL O=c1[n-]nc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001607088165 1170385898 /nfs/dbraw/zinc/38/58/98/1170385898.db2.gz GQJKUJAZSMOFTR-SSDOTTSWSA-N -2 3 315.297 0.129 20 0 DCADHL O=c1cc(CN2CCSCC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001607110856 1170402412 /nfs/dbraw/zinc/40/24/12/1170402412.db2.gz LGLDGKYBOUIWFH-UHFFFAOYSA-N -2 3 318.366 0.164 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCNC(=O)C(C)C)oc1C(=O)[O-] ZINC001607707463 1170498801 /nfs/dbraw/zinc/49/88/01/1170498801.db2.gz JOHOKUKBLWVGBY-UHFFFAOYSA-N -2 3 318.351 0.337 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c1C(=O)[O-] ZINC001607940451 1170528914 /nfs/dbraw/zinc/52/89/14/1170528914.db2.gz RIHYNQGTGVDJKH-LURJTMIESA-N -3 3 319.339 0.196 20 0 DCADHL Cc1oc(C(=O)[O-])cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001608035009 1170555654 /nfs/dbraw/zinc/55/56/54/1170555654.db2.gz ZINKWHPETYGIJX-UHFFFAOYSA-N -2 3 303.274 0.980 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])nc1Cl ZINC001608122045 1170581429 /nfs/dbraw/zinc/58/14/29/1170581429.db2.gz RUZCUXXJKKBSIM-RNFRBKRXSA-N -2 3 307.759 0.605 20 0 DCADHL O=C([O-])c1cc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)c[nH]1 ZINC001608409364 1170672522 /nfs/dbraw/zinc/67/25/22/1170672522.db2.gz AFKGQGFBPYIXTG-VIFPVBQESA-N -2 3 317.305 0.217 20 0 DCADHL O=C([O-])[C@H](CC1OCCO1)[N-]C(=O)C(F)(F)c1nccs1 ZINC001608533355 1170696804 /nfs/dbraw/zinc/69/68/04/1170696804.db2.gz OEHOHFTWGKVDGU-LURJTMIESA-N -2 3 322.289 0.567 20 0 DCADHL O=C([O-])CCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001608704892 1170740833 /nfs/dbraw/zinc/74/08/33/1170740833.db2.gz LNNNJGWFPAYGFS-QMMMGPOBSA-N -2 3 310.272 0.768 20 0 DCADHL O=C([O-])CCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC001608718722 1170742623 /nfs/dbraw/zinc/74/26/23/1170742623.db2.gz RWJMPLYYXGBGPH-UHFFFAOYSA-N -3 3 303.292 0.697 20 0 DCADHL O=C([O-])CCS(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC001608732634 1170746336 /nfs/dbraw/zinc/74/63/36/1170746336.db2.gz CKXXZPDABLXDDP-UHFFFAOYSA-N -2 3 316.310 0.328 20 0 DCADHL O=C([O-])COc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001608758409 1170751638 /nfs/dbraw/zinc/75/16/38/1170751638.db2.gz YYFWSYXDSFRWNS-LLVKDONJSA-N -2 3 319.317 0.392 20 0 DCADHL O=C([O-])c1ccc2[nH]c(CNC(=O)c3cc(=O)[n-]cn3)nc2c1 ZINC001608916171 1170771601 /nfs/dbraw/zinc/77/16/01/1170771601.db2.gz ISKGOHZNPFFDCD-UHFFFAOYSA-N -2 3 313.273 0.687 20 0 DCADHL O=C([O-])[C@@H](CCF)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609566583 1171023232 /nfs/dbraw/zinc/02/32/32/1171023232.db2.gz QBAXNPJSWFKWIT-SECBINFHSA-N -2 3 308.273 0.801 20 0 DCADHL O=C([O-])[C@@H](CCF)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609566583 1171023236 /nfs/dbraw/zinc/02/32/36/1171023236.db2.gz QBAXNPJSWFKWIT-SECBINFHSA-N -2 3 308.273 0.801 20 0 DCADHL C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609878890 1171114508 /nfs/dbraw/zinc/11/45/08/1171114508.db2.gz SRHQHXXNCOTDNV-HTQZYQBOSA-N -2 3 320.392 0.792 20 0 DCADHL CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001610014847 1171139509 /nfs/dbraw/zinc/13/95/09/1171139509.db2.gz SOHQGHDSLYNQKA-QMMMGPOBSA-N -2 3 319.335 0.845 20 0 DCADHL CO[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])OCO3)[C@@H](C(=O)[O-])C1 ZINC001610238384 1171203419 /nfs/dbraw/zinc/20/34/19/1171203419.db2.gz VXRYHEUIEBTYAM-PSASIEDQSA-N -2 3 323.301 0.825 20 0 DCADHL COc1cccc2c(C(=O)O[C@@H](C)C(=O)NCC(=O)[O-])n[n-]c21 ZINC001610360916 1171224197 /nfs/dbraw/zinc/22/41/97/1171224197.db2.gz VPOKTQOODPMTAV-ZETCQYMHSA-N -2 3 321.289 0.318 20 0 DCADHL O=C([O-])[C@@H](CC(F)F)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001610680779 1171290357 /nfs/dbraw/zinc/29/03/57/1171290357.db2.gz DLZQTFCKZQKGEY-SSDOTTSWSA-N -2 3 302.212 0.935 20 0 DCADHL O=C([O-])CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001610774904 1171321551 /nfs/dbraw/zinc/32/15/51/1171321551.db2.gz BDVPGISRBGKFGP-UHFFFAOYSA-N -3 3 309.246 0.416 20 0 DCADHL CCOC(=O)c1[n-]cnc1NC(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177362752 770430110 /nfs/dbraw/zinc/43/01/10/770430110.db2.gz AITPOGGIWDEQAK-UHFFFAOYSA-N -2 3 320.305 0.804 20 0 DCADHL CCOC(=O)c1nc[n-]c1NC(=O)c1ccn(C)c1CC(=O)[O-] ZINC001177362752 770430116 /nfs/dbraw/zinc/43/01/16/770430116.db2.gz AITPOGGIWDEQAK-UHFFFAOYSA-N -2 3 320.305 0.804 20 0 DCADHL CC(=O)N1CCCC[C@@H]1CC(=O)NCCCCP(=O)([O-])[O-] ZINC001184126477 771745786 /nfs/dbraw/zinc/74/57/86/771745786.db2.gz LKEXSNGSJSKIRE-GFCCVEGCSA-N -2 3 320.326 0.852 20 0 DCADHL CSc1ncc([O-])c(C(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001185185171 771875143 /nfs/dbraw/zinc/87/51/43/771875143.db2.gz BROVMHNUNFMABB-SSDOTTSWSA-N -2 3 309.351 0.146 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc(-n2cncn2)c1 ZINC001193908059 773128271 /nfs/dbraw/zinc/12/82/71/773128271.db2.gz DCIKRLOMRHUUSH-UHFFFAOYSA-N -2 3 324.277 0.955 20 0 DCADHL COCCn1cnc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001194671910 773229372 /nfs/dbraw/zinc/22/93/72/773229372.db2.gz IPFGZJLFQMLJRS-UHFFFAOYSA-N -2 3 305.271 0.217 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)c(F)cc1F ZINC001195246382 773353701 /nfs/dbraw/zinc/35/37/01/773353701.db2.gz FYTNQBWMTSDRTM-OLQVQODUSA-N -2 3 307.274 0.465 20 0 DCADHL COC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc([O-])cc1 ZINC001195821107 773487447 /nfs/dbraw/zinc/48/74/47/773487447.db2.gz VDEDCVHHZXYKJR-JTQLQIEISA-N -2 3 317.319 0.077 20 0 DCADHL CCOC(=O)c1cnc(NC(=O)c2c[nH]c(=S)[n-]c2=O)[n-]1 ZINC001196008739 773519219 /nfs/dbraw/zinc/51/92/19/773519219.db2.gz IXBJDRYOFNRAGN-UHFFFAOYSA-N -2 3 309.307 0.623 20 0 DCADHL CC(C)(F)CC[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589312626 1166646141 /nfs/dbraw/zinc/64/61/41/1166646141.db2.gz LHUMDHCJKCNYSY-UHFFFAOYSA-N -2 3 303.319 0.876 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)oc1C(=O)[O-] ZINC001600298875 1168160014 /nfs/dbraw/zinc/16/00/14/1168160014.db2.gz KZLMICFTPCBVIN-RKDXNWHRSA-N -2 3 303.336 0.726 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ncnn2C)cc1C(=O)[O-] ZINC001600855672 1168487272 /nfs/dbraw/zinc/48/72/72/1168487272.db2.gz ULSWATQBQMCCPG-LURJTMIESA-N -2 3 314.323 0.454 20 0 DCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@H]2CCCC23OCCO3)CCC1 ZINC001601713459 1168826983 /nfs/dbraw/zinc/82/69/83/1168826983.db2.gz MEQFJCSCKKZSJM-JTQLQIEISA-N -2 3 319.379 0.456 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(CCO)CCC2)c1 ZINC001602557515 1169116763 /nfs/dbraw/zinc/11/67/63/1169116763.db2.gz YOPLDDLEPXGRFJ-UHFFFAOYSA-N -2 3 303.336 0.809 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c1 ZINC001602557499 1169116285 /nfs/dbraw/zinc/11/62/85/1169116285.db2.gz YDMJGMPDUCCMEY-VIFPVBQESA-N -3 3 317.319 0.900 20 0 DCADHL CC[C@H](CS(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)n1)OC ZINC001604039602 1169475858 /nfs/dbraw/zinc/47/58/58/1169475858.db2.gz MKVYFFSXHWLFQP-MRVPVSSYSA-N -2 3 312.355 0.428 20 0 DCADHL CC[C@H](CS(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)n1)OC ZINC001604039602 1169475864 /nfs/dbraw/zinc/47/58/64/1169475864.db2.gz MKVYFFSXHWLFQP-MRVPVSSYSA-N -2 3 312.355 0.428 20 0 DCADHL C[C@@H](CS(=O)(=O)c1ccccc1)NCCOP(=O)([O-])[O-] ZINC001255802900 946549083 /nfs/dbraw/zinc/54/90/83/946549083.db2.gz QYFIQFXHIQFBGA-JTQLQIEISA-N -2 3 323.307 0.548 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc(F)cc1F ZINC001256094651 946587298 /nfs/dbraw/zinc/58/72/98/946587298.db2.gz PHGJZZWRZKOGMO-UHFFFAOYSA-N -2 3 301.207 0.421 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CO)CC2)c(F)cc1Cl ZINC001259222308 946930714 /nfs/dbraw/zinc/93/07/14/946930714.db2.gz NXRSLLRLAUJZNM-UHFFFAOYSA-N -2 3 323.729 0.981 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccc2ncsc2c1 ZINC001259399097 946956404 /nfs/dbraw/zinc/95/64/04/946956404.db2.gz YDYHVWWMKLHWSV-UHFFFAOYSA-N -2 3 322.304 0.752 20 0 DCADHL O=C(COc1ccc(CO)cc1)NCCCCP(=O)([O-])[O-] ZINC001179664291 947891020 /nfs/dbraw/zinc/89/10/20/947891020.db2.gz ZZKPZZMKIHWCFZ-UHFFFAOYSA-N -2 3 317.278 0.632 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001604437790 1169593750 /nfs/dbraw/zinc/59/37/50/1169593750.db2.gz IZUJNGGEMYWXSB-UHFFFAOYSA-N -2 3 310.701 0.526 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001604437790 1169593759 /nfs/dbraw/zinc/59/37/59/1169593759.db2.gz IZUJNGGEMYWXSB-UHFFFAOYSA-N -2 3 310.701 0.526 20 0 DCADHL CCOC(=O)c1nnc(CNC(=O)c2cccc(C(=O)[O-])c2)[n-]1 ZINC001591279896 951125159 /nfs/dbraw/zinc/12/51/59/951125159.db2.gz TZZQOJAKXNFYAY-UHFFFAOYSA-N -2 3 318.289 0.610 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(=O)[O-] ZINC001603918903 974414882 /nfs/dbraw/zinc/41/48/82/974414882.db2.gz YLWHZHNUVQGUAM-ZCFIWIBFSA-N -2 3 323.168 0.986 20 0 DCADHL O=C([O-])c1cncc(NC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001594757074 953471209 /nfs/dbraw/zinc/47/12/09/953471209.db2.gz BSHFJAYMDPBFLJ-MRVPVSSYSA-N -2 3 305.294 0.413 20 0 DCADHL CCC(CC)(CNC(=O)Nc1n[n-]nc1C(=O)NC)C(=O)[O-] ZINC001589497756 955022405 /nfs/dbraw/zinc/02/24/05/955022405.db2.gz YGUGBUDCNMJOJZ-UHFFFAOYSA-N -2 3 312.330 0.177 20 0 DCADHL COC(=O)Cc1nnc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)[n-]1 ZINC001593853139 955476461 /nfs/dbraw/zinc/47/64/61/955476461.db2.gz FSONZHKUFKUVLL-UHFFFAOYSA-N -2 3 318.289 0.779 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n[n-]1 ZINC001593853139 955476469 /nfs/dbraw/zinc/47/64/69/955476469.db2.gz FSONZHKUFKUVLL-UHFFFAOYSA-N -2 3 318.289 0.779 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594559464 955794981 /nfs/dbraw/zinc/79/49/81/955794981.db2.gz HYHJIVJVJQTDBN-VIFPVBQESA-N -2 3 314.298 0.058 20 0 DCADHL CC[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000388055294 972153249 /nfs/dbraw/zinc/15/32/49/972153249.db2.gz IHXBUFSWRCBJSF-ZETCQYMHSA-N -2 3 305.290 0.803 20 0 DCADHL COC[C@@]1(C(=O)[O-])CN([C@H](C)c2nc(C)cc(=O)[n-]2)CCO1 ZINC001593984461 956749973 /nfs/dbraw/zinc/74/99/73/956749973.db2.gz XUSJIDLKHLTDJN-QMTHXVAHSA-N -2 3 311.338 0.354 20 0 DCADHL CCCN1CC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000389236618 972213936 /nfs/dbraw/zinc/21/39/36/972213936.db2.gz YNIUATBCPOKITF-MRVPVSSYSA-N -2 3 319.408 0.604 20 0 DCADHL COC(=O)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000048441112 957458119 /nfs/dbraw/zinc/45/81/19/957458119.db2.gz LWBHQFUDMVUEAA-UHFFFAOYSA-N -2 3 323.273 0.968 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001362088234 958715809 /nfs/dbraw/zinc/71/58/09/958715809.db2.gz IIOFTPQSJAEMIC-ZETCQYMHSA-N -2 3 303.278 0.170 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1(O)CCCCC1 ZINC000134717949 958857242 /nfs/dbraw/zinc/85/72/42/958857242.db2.gz VBKOZDDHNXSTDG-UHFFFAOYSA-N -2 3 320.392 0.815 20 0 DCADHL COC1(C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCC1 ZINC001571079821 960985646 /nfs/dbraw/zinc/98/56/46/960985646.db2.gz JJODTYNTPNMDLV-UHFFFAOYSA-N -2 3 303.340 0.264 20 0 DCADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(=O)[n-]cn1 ZINC001571085264 961048130 /nfs/dbraw/zinc/04/81/30/961048130.db2.gz YDXAADZSLQTPGI-LLVKDONJSA-N -2 3 305.265 0.747 20 0 DCADHL O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000237939957 961047893 /nfs/dbraw/zinc/04/78/93/961047893.db2.gz NDAGEGWVJOSYJA-NXEZZACHSA-N -2 3 301.302 0.906 20 0 DCADHL CC(C)OC(=O)c1cc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)[n-]n1 ZINC001588929146 962461185 /nfs/dbraw/zinc/46/11/85/962461185.db2.gz MHVSRGNNLGZETC-CYBMUJFWSA-N -2 3 311.294 0.547 20 0 DCADHL CC(C)OC(=O)c1cc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)n[n-]1 ZINC001588929146 962461190 /nfs/dbraw/zinc/46/11/90/962461190.db2.gz MHVSRGNNLGZETC-CYBMUJFWSA-N -2 3 311.294 0.547 20 0 DCADHL CCCCC[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OC ZINC001605260331 1169883678 /nfs/dbraw/zinc/88/36/78/1169883678.db2.gz OCLFQDCUHIEKBQ-JTQLQIEISA-N -2 3 321.395 0.893 20 0 DCADHL O=C(CCc1nn[n-]n1)Nc1nc(Br)ccc1[O-] ZINC001447930149 1013656003 /nfs/dbraw/zinc/65/60/03/1013656003.db2.gz OGPJAFHTNIAAGG-UHFFFAOYSA-N -2 3 313.115 0.634 20 0 DCADHL CO[C@](C)(C(=O)[O-])C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001604454896 973289679 /nfs/dbraw/zinc/28/96/79/973289679.db2.gz HOEGEMKYHVVWRJ-IGJIYHIXSA-N -2 3 310.232 0.490 20 0 DCADHL CO[C@@](C)(C(=O)[O-])C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001604454894 973290049 /nfs/dbraw/zinc/29/00/49/973290049.db2.gz HOEGEMKYHVVWRJ-AJAUBTJJSA-N -2 3 310.232 0.490 20 0 DCADHL O=C([O-])CC[C@H]1C[C@@H](C(=O)NCCCc2cc(=O)[nH][n-]2)CO1 ZINC001606107635 973299147 /nfs/dbraw/zinc/29/91/47/973299147.db2.gz MHJKZPBOOBIDFT-KOLCDFICSA-N -2 3 311.338 0.029 20 0 DCADHL CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001591676325 975447360 /nfs/dbraw/zinc/44/73/60/975447360.db2.gz ANXAYOMESKONNP-UHFFFAOYSA-N -2 3 319.335 0.988 20 0 DCADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)CO ZINC001605886556 1170020548 /nfs/dbraw/zinc/02/05/48/1170020548.db2.gz HTPKBHFVAUNVTF-UHFFFAOYSA-N -2 3 313.278 0.446 20 0 DCADHL CC[C@@](COC)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001595189274 979872217 /nfs/dbraw/zinc/87/22/17/979872217.db2.gz HQQMOFZCSGVQHL-ZDUSSCGKSA-N -2 3 310.285 0.707 20 0 DCADHL CC(C)OC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1 ZINC001573524715 983053311 /nfs/dbraw/zinc/05/33/11/983053311.db2.gz WONKDMIXYYXVJH-UHFFFAOYSA-N -2 3 317.367 0.734 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)c1C(=O)[O-] ZINC001574183116 983185742 /nfs/dbraw/zinc/18/57/42/983185742.db2.gz WOJBWGANEZJIQI-QMMMGPOBSA-N -2 3 319.383 0.492 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCOCC1 ZINC001574417235 983241184 /nfs/dbraw/zinc/24/11/84/983241184.db2.gz GCUSOFWJMQAEDP-WCBMZHEXSA-N -2 3 315.351 0.201 20 0 DCADHL CC(=O)CCCCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001589034613 985072999 /nfs/dbraw/zinc/07/29/99/985072999.db2.gz AMXFHOFGXCVMOD-UHFFFAOYSA-N -2 3 317.367 0.844 20 0 DCADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])[C@@H]1OC ZINC001596843219 985533014 /nfs/dbraw/zinc/53/30/14/985533014.db2.gz PXOGHHMNYPJYJL-AEJSXWLSSA-N -2 3 319.335 0.449 20 0 DCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)/C=C/C(=O)[O-])s1 ZINC001589225604 985758625 /nfs/dbraw/zinc/75/86/25/985758625.db2.gz XZOMXCSCUYSFPP-YUDCMIJISA-N -2 3 319.364 0.409 20 0 DCADHL CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001589824374 988287492 /nfs/dbraw/zinc/28/74/92/988287492.db2.gz BTBGHKIYAMXRHL-UHFFFAOYSA-N -2 3 318.351 0.561 20 0 DCADHL COc1cccc([C@H](NC(=O)c2cc(=O)[n-]cn2)C(=O)[O-])c1 ZINC001599686056 990988940 /nfs/dbraw/zinc/98/89/40/990988940.db2.gz AFKLPAYOTISEJJ-LBPRGKRZSA-N -2 3 303.274 0.747 20 0 DCADHL CC1(C[N-]S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])OCCO1 ZINC001594027007 997567104 /nfs/dbraw/zinc/56/71/04/997567104.db2.gz ASKFEFYACMQHFD-NXEZZACHSA-N -2 3 307.368 0.312 20 0 DCADHL CO[C@H]1CN(Cc2nc3c(c(=O)[n-]2)COCC3)[C@@](C)(C(=O)[O-])C1 ZINC001599135610 998036383 /nfs/dbraw/zinc/03/63/83/998036383.db2.gz VZWIFHDBXURYHH-RFAUZJTJSA-N -2 3 323.349 0.319 20 0 DCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001594148202 998502715 /nfs/dbraw/zinc/50/27/15/998502715.db2.gz YJOCHBAPARTKQQ-SKDRFNHKSA-N -2 3 306.318 0.444 20 0 DCADHL C[C@@H]1CCN(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC001594422256 999573716 /nfs/dbraw/zinc/57/37/16/999573716.db2.gz AQDHRXNFJNLOHG-MRVPVSSYSA-N -2 3 319.408 0.461 20 0 DCADHL CSc1ncc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c(=O)[n-]1 ZINC001419044882 1000716544 /nfs/dbraw/zinc/71/65/44/1000716544.db2.gz VVVNNDBPEYRBHK-ZCFIWIBFSA-N -2 3 307.339 0.047 20 0 DCADHL CSc1ncc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(=O)[n-]1 ZINC001419044882 1000716548 /nfs/dbraw/zinc/71/65/48/1000716548.db2.gz VVVNNDBPEYRBHK-ZCFIWIBFSA-N -2 3 307.339 0.047 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-][C@H](C)C1(C(=O)[O-])CCOCC1 ZINC001574207231 1163663223 /nfs/dbraw/zinc/66/32/23/1163663223.db2.gz ZDOUMAOKGOTRBX-SECBINFHSA-N -2 3 318.351 0.531 20 0 DCADHL CCOC(=O)c1cc(NC(=O)c2c[n-]n3c2nccc3=O)[n-]n1 ZINC001556063632 1012179154 /nfs/dbraw/zinc/17/91/54/1012179154.db2.gz IAMRGDMCGUKUJD-UHFFFAOYSA-N -2 3 316.277 0.175 20 0 DCADHL CCOC(=O)c1cc(NC(=O)c2c[n-]n3c2nccc3=O)n[n-]1 ZINC001556063632 1012179166 /nfs/dbraw/zinc/17/91/66/1012179166.db2.gz IAMRGDMCGUKUJD-UHFFFAOYSA-N -2 3 316.277 0.175 20 0 DCADHL Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)c1ccccc1[O-])C2 ZINC001475654272 1017132652 /nfs/dbraw/zinc/13/26/52/1017132652.db2.gz ALJMSNPHRHLYEC-UHFFFAOYSA-N -2 3 307.331 0.901 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])o1 ZINC001608910592 1170770754 /nfs/dbraw/zinc/77/07/54/1170770754.db2.gz CNVOSJVKMZYBOM-BYPYZUCNSA-N -3 3 313.234 0.365 20 0 DCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000275161081 212161111 /nfs/dbraw/zinc/16/11/11/212161111.db2.gz AMRGIVJHAFLYRS-QMMMGPOBSA-N -2 3 322.726 0.030 20 0 DCADHL CSCCO[N-]C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000280062503 215348768 /nfs/dbraw/zinc/34/87/68/215348768.db2.gz QUFMWZZZXVZHDI-UHFFFAOYSA-N -2 3 323.374 0.491 20 0 DCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000404974388 291260272 /nfs/dbraw/zinc/26/02/72/291260272.db2.gz VRMULLLBVHKCGP-VIFPVBQESA-N -2 3 319.310 0.429 20 0 DCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000275227239 212209139 /nfs/dbraw/zinc/20/91/39/212209139.db2.gz JBOPKUMRCLXOFR-SSDOTTSWSA-N -2 3 311.310 0.424 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000274906492 212023605 /nfs/dbraw/zinc/02/36/05/212023605.db2.gz JMBVAVJCFQVHFA-UHFFFAOYSA-N -2 3 309.775 0.915 20 0 DCADHL O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000020304872 182205269 /nfs/dbraw/zinc/20/52/69/182205269.db2.gz KUQUFDWHYDXHCC-ZETCQYMHSA-N -2 3 313.253 0.429 20 0 DCADHL C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000044242902 183399617 /nfs/dbraw/zinc/39/96/17/183399617.db2.gz NHCKHHZJJNIQSP-YFKPBYRVSA-N -2 3 309.141 0.596 20 0 DCADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000348299522 254231120 /nfs/dbraw/zinc/23/11/20/254231120.db2.gz YALRTGKYYVUDQP-UHFFFAOYSA-N -2 3 317.353 0.720 20 0 DCADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000348299522 254231121 /nfs/dbraw/zinc/23/11/21/254231121.db2.gz YALRTGKYYVUDQP-UHFFFAOYSA-N -2 3 317.353 0.720 20 0 DCADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)[O-])c1 ZINC000037418639 395727129 /nfs/dbraw/zinc/72/71/29/395727129.db2.gz YPKFDMCBACKMIC-UHFFFAOYSA-N -2 3 321.738 0.880 20 0 DCADHL CO[N-]C(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000046562954 395778701 /nfs/dbraw/zinc/77/87/01/395778701.db2.gz FRHADDLPRWSQOS-NSHDSACASA-N -2 3 304.343 0.806 20 0 DCADHL C[C@H](SCc1nc(=O)[n-][nH]1)[C@H](C)SCc1nc(=O)[n-][nH]1 ZINC000276632385 396016897 /nfs/dbraw/zinc/01/68/97/396016897.db2.gz WAAJBWYPOIJXCU-WDSKDSINSA-N -2 3 316.412 0.453 20 0 DCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c1 ZINC000262459757 396142977 /nfs/dbraw/zinc/14/29/77/396142977.db2.gz SCQKWXAPKWQUSI-SSDOTTSWSA-N -2 3 319.310 0.754 20 0 DCADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000262497446 396147867 /nfs/dbraw/zinc/14/78/67/396147867.db2.gz YNXXSFGTEAABKK-UHFFFAOYSA-N -2 3 319.310 0.755 20 0 DCADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000080265988 396277042 /nfs/dbraw/zinc/27/70/42/396277042.db2.gz FEBWQRRPCCLPAT-ZCFIWIBFSA-N -2 3 316.364 0.912 20 0 DCADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(C)o1 ZINC000282944643 396293805 /nfs/dbraw/zinc/29/38/05/396293805.db2.gz VALWZBCQEYPPHT-UHFFFAOYSA-N -2 3 303.292 0.270 20 0 DCADHL Cc1noc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000580949900 396513178 /nfs/dbraw/zinc/51/31/78/396513178.db2.gz ALMIPQLIMPBWLL-UHFFFAOYSA-N -2 3 301.280 0.190 20 0 DCADHL CCOC[C@@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000291044480 396477955 /nfs/dbraw/zinc/47/79/55/396477955.db2.gz YTRYSLUDEGEFTM-SSDOTTSWSA-N -2 3 309.365 0.525 20 0 DCADHL N=c1nc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)nc2[nH][n-]cc1-2 ZINC000581491651 396559644 /nfs/dbraw/zinc/55/96/44/396559644.db2.gz CDYYKIGOUXDBKV-JTQLQIEISA-N -2 3 316.243 0.560 20 0 DCADHL CCSC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000596091151 396716706 /nfs/dbraw/zinc/71/67/06/396716706.db2.gz WPWYWXATJAHEJE-UHFFFAOYSA-N -2 3 305.381 0.672 20 0 DCADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000571976257 397007264 /nfs/dbraw/zinc/00/72/64/397007264.db2.gz WNPQMWRSAATEQY-PSASIEDQSA-N -2 3 305.377 0.825 20 0 DCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c(F)c1 ZINC000593218975 397338258 /nfs/dbraw/zinc/33/82/58/397338258.db2.gz YUSQLKFBXBLRTG-SSDOTTSWSA-N -2 3 319.310 0.754 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-])n1 ZINC000577278271 397318876 /nfs/dbraw/zinc/31/88/76/397318876.db2.gz ZWTJZILGCCIYNX-VIFPVBQESA-N -2 3 319.383 0.357 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1 ZINC000614347087 397423199 /nfs/dbraw/zinc/42/31/99/397423199.db2.gz FKOBZXYNXRRBAY-ZETCQYMHSA-N -2 3 320.348 0.071 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCOCC1 ZINC000578527433 397449277 /nfs/dbraw/zinc/44/92/77/397449277.db2.gz COMDSFNJLVAINE-SSDOTTSWSA-N -2 3 320.392 0.935 20 0 DCADHL CN1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000092114147 158110866 /nfs/dbraw/zinc/11/08/66/158110866.db2.gz SWVQETJDCFFDAC-UHFFFAOYSA-N -2 3 316.354 0.896 20 0 DCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCC(=O)[O-])c1 ZINC000262381099 158807182 /nfs/dbraw/zinc/80/71/82/158807182.db2.gz HAJFARRUZMGVHU-UHFFFAOYSA-N -2 3 319.310 0.755 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)s1 ZINC000402641685 287231876 /nfs/dbraw/zinc/23/18/76/287231876.db2.gz IKEFMJBZHYNOTQ-VIFPVBQESA-N -2 3 316.364 0.289 20 0 DCADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1ncccc1[O-] ZINC000273049420 415304837 /nfs/dbraw/zinc/30/48/37/415304837.db2.gz HONNRDMRCXGDHA-SECBINFHSA-N -2 3 301.368 0.690 20 0 DCADHL Cc1ncsc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000298907060 416037988 /nfs/dbraw/zinc/03/79/88/416037988.db2.gz AKRMYGKTKQBJJA-UHFFFAOYSA-N -2 3 319.393 0.927 20 0 DCADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000422578058 416440232 /nfs/dbraw/zinc/44/02/32/416440232.db2.gz CTTMOPFNLLBIEF-RKDXNWHRSA-N -2 3 308.338 0.574 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000439562907 416617911 /nfs/dbraw/zinc/61/79/11/416617911.db2.gz AECZLUMNZODBKM-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000439562907 416617915 /nfs/dbraw/zinc/61/79/15/416617915.db2.gz AECZLUMNZODBKM-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1F)[C@H]1CCOC1 ZINC000517074970 416778318 /nfs/dbraw/zinc/77/83/18/416778318.db2.gz XZTMRKDHGSMUSU-KWQFWETISA-N -2 3 303.311 0.594 20 0 DCADHL COc1ccc(S(=O)(=O)[N-]CCSCC(=O)[O-])c(F)c1 ZINC000519260897 416899043 /nfs/dbraw/zinc/89/90/43/416899043.db2.gz ACXXATFDMIAGFY-UHFFFAOYSA-N -2 3 323.367 0.930 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C(=O)[O-] ZINC000521824731 417029084 /nfs/dbraw/zinc/02/90/84/417029084.db2.gz GJJWHQAUNLICHO-RKDXNWHRSA-N -2 3 315.338 0.831 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)cn1C ZINC000399747572 417111273 /nfs/dbraw/zinc/11/12/73/417111273.db2.gz SCVSHQXSRIVZFY-LDYMZIIASA-N -2 3 303.384 0.752 20 0 DCADHL CCOC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000643126812 417151864 /nfs/dbraw/zinc/15/18/64/417151864.db2.gz BNFJFDCTSRYEGV-MRVPVSSYSA-N -2 3 305.356 0.301 20 0 DCADHL COC(=O)Cc1nc([N-]S(=O)(=O)CCC2CCCC2)n[n-]1 ZINC000414462130 417282056 /nfs/dbraw/zinc/28/20/56/417282056.db2.gz YBIJLVNSJKZQLM-UHFFFAOYSA-N -2 3 316.383 0.842 20 0 DCADHL CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000530152845 417544866 /nfs/dbraw/zinc/54/48/66/417544866.db2.gz MXWVEIBVWQTRSD-JVXZTZIISA-N -2 3 301.320 0.824 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c(F)c1 ZINC000576430078 417610438 /nfs/dbraw/zinc/61/04/38/417610438.db2.gz IQBASPUPTQKMMF-ZETCQYMHSA-N -2 3 319.310 0.611 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000575985496 417569790 /nfs/dbraw/zinc/56/97/90/417569790.db2.gz OBRBFYABPZYKGD-OPRDCNLKSA-N -2 3 301.320 0.824 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000455760755 417617979 /nfs/dbraw/zinc/61/79/79/417617979.db2.gz XAVNBILLXIUNBL-SNVBAGLBSA-N -2 3 308.334 0.800 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-])c1 ZINC000576633769 417623861 /nfs/dbraw/zinc/62/38/61/417623861.db2.gz OTKQBUXFZMRLGZ-VIFPVBQESA-N -2 3 319.383 0.357 20 0 DCADHL CO[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@H](C(=O)[O-])C1 ZINC000577125773 417667085 /nfs/dbraw/zinc/66/70/85/417667085.db2.gz NLCHUTSESUQBDF-SKDRFNHKSA-N -2 3 304.306 0.662 20 0 DCADHL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000577223420 417674166 /nfs/dbraw/zinc/67/41/66/417674166.db2.gz CHAQWJCNIMXISI-QMMMGPOBSA-N -2 3 300.336 0.603 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(F)c1F ZINC000629291218 417772007 /nfs/dbraw/zinc/77/20/07/417772007.db2.gz AYWLOIOQKAMRGM-SSDOTTSWSA-N -2 3 309.290 0.387 20 0 DCADHL CCC[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])OCC ZINC000629332581 417779514 /nfs/dbraw/zinc/77/95/14/417779514.db2.gz MEOXRKINYVSYSV-MRVPVSSYSA-N -2 3 305.356 0.591 20 0 DCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cnn2c1OCCC2)C(=O)[O-] ZINC000646010689 417847957 /nfs/dbraw/zinc/84/79/57/417847957.db2.gz BCRNCACELGRAGB-SECBINFHSA-N -2 3 317.367 0.443 20 0 DCADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccn(C)n2)C(=O)[O-])cc1 ZINC000646023564 417853416 /nfs/dbraw/zinc/85/34/16/417853416.db2.gz CKELFUXMNPUJEY-GFCCVEGCSA-N -2 3 323.374 0.875 20 0 DCADHL COC[C@@](C)([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-] ZINC000646029314 417854076 /nfs/dbraw/zinc/85/40/76/417854076.db2.gz RTCUKOHYPPKEIE-GFCCVEGCSA-N -2 3 321.326 0.602 20 0 DCADHL CC[C@H](O)CCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645982328 417841504 /nfs/dbraw/zinc/84/15/04/417841504.db2.gz NEZXRPOXFZIGRR-ZETCQYMHSA-N -2 3 308.381 0.671 20 0 DCADHL C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000656520693 418359462 /nfs/dbraw/zinc/35/94/62/418359462.db2.gz QNYBVOGNNBVVDX-MFKMUULPSA-N -2 3 323.374 0.955 20 0 DCADHL O=C([N-]O[C@H]1CCCCO1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000299510632 229167460 /nfs/dbraw/zinc/16/74/60/229167460.db2.gz BMKYPNHRANRWDF-VIFPVBQESA-N -2 3 306.278 0.624 20 0 DCADHL COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000547563019 288058579 /nfs/dbraw/zinc/05/85/79/288058579.db2.gz LMTLLHURNTWDRF-ZCFIWIBFSA-N -2 3 324.336 0.343 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)c1 ZINC000548992905 288189290 /nfs/dbraw/zinc/18/92/90/288189290.db2.gz UXTUINNRJGNKGS-KCJUWKMLSA-N -2 3 301.368 0.681 20 0 DCADHL Cn1ccc(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C(=O)[O-])n1 ZINC000564926673 288789982 /nfs/dbraw/zinc/78/99/82/288789982.db2.gz MFAMGASMQXLSQA-BXKDBHETSA-N -2 3 301.368 0.732 20 0 DCADHL Cc1nc(C)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)s1 ZINC000374445764 302577511 /nfs/dbraw/zinc/57/75/11/302577511.db2.gz CGMNTUNVNRNTJF-UHFFFAOYSA-N -2 3 320.392 0.672 20 0 DCADHL CCc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c([O-])c1 ZINC000365011655 523886783 /nfs/dbraw/zinc/88/67/83/523886783.db2.gz ZTRSHEQFBIFZAE-LBPRGKRZSA-N -2 3 303.322 0.681 20 0 DCADHL CCc1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c([O-])c1 ZINC000365011655 523886790 /nfs/dbraw/zinc/88/67/90/523886790.db2.gz ZTRSHEQFBIFZAE-LBPRGKRZSA-N -2 3 303.322 0.681 20 0 DCADHL CCn1nccc1-c1ccc(S(=O)(=O)[N-]CC(=O)[O-])s1 ZINC000516878389 546280418 /nfs/dbraw/zinc/28/04/18/546280418.db2.gz ITXQUUOFJDSYGZ-UHFFFAOYSA-N -2 3 315.376 0.994 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])s1 ZINC000681563671 548264787 /nfs/dbraw/zinc/26/47/87/548264787.db2.gz VUYRVAFWVKTFET-ZCFIWIBFSA-N -3 3 322.364 0.302 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735703816 598855252 /nfs/dbraw/zinc/85/52/52/598855252.db2.gz WICLDKNLFCBAKX-VIFPVBQESA-N -2 3 323.378 0.964 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735703816 598855254 /nfs/dbraw/zinc/85/52/54/598855254.db2.gz WICLDKNLFCBAKX-VIFPVBQESA-N -2 3 323.378 0.964 20 0 DCADHL CC(C)C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000817883974 598195222 /nfs/dbraw/zinc/19/52/22/598195222.db2.gz JOEPAQULLTXQLW-GFCCVEGCSA-N -2 3 308.334 0.738 20 0 DCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735859043 598331208 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O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2cscn2)o1 ZINC000104440109 600865155 /nfs/dbraw/zinc/86/51/55/600865155.db2.gz LRWPCGPHPZSZHT-UHFFFAOYSA-N -2 3 302.333 0.955 20 0 DCADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC ZINC000828692805 601219589 /nfs/dbraw/zinc/21/95/89/601219589.db2.gz MPNTZGIKWOPDPB-LBPRGKRZSA-N -2 3 319.335 0.906 20 0 DCADHL CC[S@@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829293215 601221392 /nfs/dbraw/zinc/22/13/92/601221392.db2.gz IRAJDVJIMTVDFN-GOSISDBHSA-N -2 3 309.365 0.333 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@H]2CCOC2)cc1C(=O)[O-] ZINC000833027169 601223552 /nfs/dbraw/zinc/22/35/52/601223552.db2.gz DUZKUAGZSRQRSA-APPZFPTMSA-N -2 3 303.336 0.990 20 0 DCADHL CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000828677011 601480022 /nfs/dbraw/zinc/48/00/22/601480022.db2.gz IGLVHPUPJFCTIJ-LBPRGKRZSA-N -2 3 319.335 0.988 20 0 DCADHL O=C([O-])N1CCC(NC(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC000738468026 602063849 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CC(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820183951 606463740 /nfs/dbraw/zinc/46/37/40/606463740.db2.gz OTFPRDSXLNPUGP-UHFFFAOYSA-N -2 3 301.353 0.396 20 0 DCADHL CC(C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820183951 606463742 /nfs/dbraw/zinc/46/37/42/606463742.db2.gz OTFPRDSXLNPUGP-UHFFFAOYSA-N -2 3 301.353 0.396 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820577290 606759181 /nfs/dbraw/zinc/75/91/81/606759181.db2.gz NMPXFXFJZDOJKX-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820577290 606759182 /nfs/dbraw/zinc/75/91/82/606759182.db2.gz NMPXFXFJZDOJKX-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCC(=O)[O-] ZINC000820533981 607108270 /nfs/dbraw/zinc/10/82/70/607108270.db2.gz IHYASUAPMSRNPV-SECBINFHSA-N -2 3 319.321 0.567 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCC(=O)[O-] ZINC000820533981 607108272 /nfs/dbraw/zinc/10/82/72/607108272.db2.gz IHYASUAPMSRNPV-SECBINFHSA-N -2 3 319.321 0.567 20 0 DCADHL C[C@@H](CN(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820253150 607108405 /nfs/dbraw/zinc/10/84/05/607108405.db2.gz GHGGFOFXTRHMTD-VIFPVBQESA-N -2 3 319.321 0.425 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826449644 607861028 /nfs/dbraw/zinc/86/10/28/607861028.db2.gz CLJNEFWVLONWPN-UHFFFAOYSA-N -2 3 321.362 0.726 20 0 DCADHL O=C([N-]S(=O)(=O)CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826449644 607861029 /nfs/dbraw/zinc/86/10/29/607861029.db2.gz CLJNEFWVLONWPN-UHFFFAOYSA-N -2 3 321.362 0.726 20 0 DCADHL CCNC(=O)[N-][N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000084460790 657639798 /nfs/dbraw/zinc/63/97/98/657639798.db2.gz KBDQDDRPMHNIRQ-UHFFFAOYSA-N -2 3 300.365 0.809 20 0 DCADHL O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ccccc1[O-] ZINC001038073790 665667442 /nfs/dbraw/zinc/66/74/42/665667442.db2.gz KZPFAQQCPCCDFV-SECBINFHSA-N -2 3 303.322 0.220 20 0 DCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000921687707 665698428 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CC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)CC(=O)[O-] ZINC000776626702 668879482 /nfs/dbraw/zinc/87/94/82/668879482.db2.gz CHBOOCLBAIFKJX-SSDOTTSWSA-N -2 3 309.775 0.853 20 0 DCADHL CC[C@H](C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)CC(=O)[O-] ZINC000776626704 668879538 /nfs/dbraw/zinc/87/95/38/668879538.db2.gz CHBOOCLBAIFKJX-ZETCQYMHSA-N -2 3 309.775 0.853 20 0 DCADHL COC(=O)CCCO[N-]C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000811560236 670535918 /nfs/dbraw/zinc/53/59/18/670535918.db2.gz YQTVWQMDTLVFOO-UHFFFAOYSA-N -2 3 310.306 0.123 20 0 DCADHL O=C(Nn1c(=O)[n-][nH]c1=O)c1cc(Br)ccc1[O-] ZINC000816731679 670850804 /nfs/dbraw/zinc/85/08/04/670850804.db2.gz AOGKYYJHLKRWFG-UHFFFAOYSA-N -2 3 315.083 0.541 20 0 DCADHL CCc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c([O-])c1 ZINC000819620232 671130568 /nfs/dbraw/zinc/13/05/68/671130568.db2.gz KYZPKYKZDASYAK-UHFFFAOYSA-N -2 3 317.349 0.592 20 0 DCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c1 ZINC000846773636 672343227 /nfs/dbraw/zinc/34/32/27/672343227.db2.gz 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ZINC001574422562 1163718645 /nfs/dbraw/zinc/71/86/45/1163718645.db2.gz GQFPNOLONKRGMB-UHFFFAOYSA-N -2 3 308.367 0.809 20 0 DCADHL O=C([O-])c1ncc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)s1 ZINC001574422776 1163718954 /nfs/dbraw/zinc/71/89/54/1163718954.db2.gz BORMICBTWOBEDQ-LURJTMIESA-N -2 3 308.319 0.900 20 0 DCADHL C[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1nn(C)cc1[O-] ZINC001575358219 1163986392 /nfs/dbraw/zinc/98/63/92/1163986392.db2.gz ZOIMUYPRVGLVEL-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL C[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1nn(C)cc1[O-] ZINC001575358219 1163986398 /nfs/dbraw/zinc/98/63/98/1163986398.db2.gz ZOIMUYPRVGLVEL-ZCFIWIBFSA-N -2 3 319.350 0.858 20 0 DCADHL CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001579253747 1165251482 /nfs/dbraw/zinc/25/14/82/1165251482.db2.gz XZLVDDKVDYMHDS-UHFFFAOYSA-N -2 3 313.321 0.578 20 0 DCADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001579253747 1165251492 /nfs/dbraw/zinc/25/14/92/1165251492.db2.gz XZLVDDKVDYMHDS-UHFFFAOYSA-N -2 3 313.321 0.578 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589370109 1166651382 /nfs/dbraw/zinc/65/13/82/1166651382.db2.gz NTMWUCZCHWTEHR-UHFFFAOYSA-N -2 3 308.323 0.033 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589370109 1166651388 /nfs/dbraw/zinc/65/13/88/1166651388.db2.gz NTMWUCZCHWTEHR-UHFFFAOYSA-N -2 3 308.323 0.033 20 0 DCADHL CC(C)[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589763059 1166682692 /nfs/dbraw/zinc/68/26/92/1166682692.db2.gz MJQXPZQHDZYWNO-GFCCVEGCSA-N -2 3 303.322 0.635 20 0 DCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC(=O)[O-] ZINC001590023355 1166754852 /nfs/dbraw/zinc/75/48/52/1166754852.db2.gz VCCMCXNBWPCBJP-VIFPVBQESA-N -2 3 319.321 0.615 20 0 DCADHL CC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590867448 1167040890 /nfs/dbraw/zinc/04/08/90/1167040890.db2.gz BVEALGVZKSPIHD-KWQFWETISA-N -2 3 319.321 0.613 20 0 DCADHL CCc1nnc(NC[C@@H](C)C(=O)[O-])c(-c2nnn[n-]2)c1CC ZINC001590931989 1167053750 /nfs/dbraw/zinc/05/37/50/1167053750.db2.gz DZMFMYKIDYODMG-SSDOTTSWSA-N -2 3 305.342 0.914 20 0 DCADHL CCc1nnc(NC[C@@H](C)C(=O)[O-])c(-c2nn[n-]n2)c1CC ZINC001590931989 1167053758 /nfs/dbraw/zinc/05/37/58/1167053758.db2.gz DZMFMYKIDYODMG-SSDOTTSWSA-N -2 3 305.342 0.914 20 0 DCADHL CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ncc[n-]1 ZINC001591158412 1167119182 /nfs/dbraw/zinc/11/91/82/1167119182.db2.gz GVQIFSZMBRWQBK-UHFFFAOYSA-N -2 3 305.323 0.415 20 0 DCADHL COC(=O)c1ccc(NCCCC(=O)[O-])c(-c2nnn[n-]2)n1 ZINC001591295940 1167203929 /nfs/dbraw/zinc/20/39/29/1167203929.db2.gz JQJKDKMMTCUPAJ-UHFFFAOYSA-N -2 3 306.282 0.325 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591387528 1167257375 /nfs/dbraw/zinc/25/73/75/1167257375.db2.gz XPORYIOPXAVYSL-CQSZACIVSA-N -2 3 303.322 0.794 20 0 DCADHL COCCCO[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001591417213 1167275214 /nfs/dbraw/zinc/27/52/14/1167275214.db2.gz OCWXVYLYLPDWEN-JTQLQIEISA-N -2 3 321.337 0.718 20 0 DCADHL COCCCO[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001591417213 1167275224 /nfs/dbraw/zinc/27/52/24/1167275224.db2.gz OCWXVYLYLPDWEN-JTQLQIEISA-N -2 3 321.337 0.718 20 0 DCADHL CSc1nc(CNc2ncncc2-c2nnn[n-]2)cc(=O)[n-]1 ZINC001591716448 1167362319 /nfs/dbraw/zinc/36/23/19/1167362319.db2.gz SDMSXMTZINDBGZ-UHFFFAOYSA-N -2 3 317.338 0.486 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cn(C)nn1 ZINC001592111449 1167459231 /nfs/dbraw/zinc/45/92/31/1167459231.db2.gz TYHQOLNCIVLSNU-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cn(C)nn1 ZINC001592111449 1167459245 /nfs/dbraw/zinc/45/92/45/1167459245.db2.gz TYHQOLNCIVLSNU-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL Cc1conc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592312037 1167486715 /nfs/dbraw/zinc/48/67/15/1167486715.db2.gz KJDMICPDKTXNQA-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1conc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592312037 1167486722 /nfs/dbraw/zinc/48/67/22/1167486722.db2.gz KJDMICPDKTXNQA-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001592343550 1167497303 /nfs/dbraw/zinc/49/73/03/1167497303.db2.gz BXWWUYKOIOWORD-VIFPVBQESA-N -2 3 316.321 0.507 20 0 DCADHL Cc1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592343550 1167497307 /nfs/dbraw/zinc/49/73/07/1167497307.db2.gz BXWWUYKOIOWORD-VIFPVBQESA-N -2 3 316.321 0.507 20 0 DCADHL O=C([O-])[C@H]1COCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593276509 1167751437 /nfs/dbraw/zinc/75/14/37/1167751437.db2.gz MDRSLHJMBKNUNS-SECBINFHSA-N -2 3 311.248 0.435 20 0 DCADHL O=C([O-])[C@H]1CCN(c2nc3ncccc3cc2-c2nnn[n-]2)C1 ZINC001593275376 1167752148 /nfs/dbraw/zinc/75/21/48/1167752148.db2.gz BCYXGGBJCFCRLG-VIFPVBQESA-N -2 3 311.305 0.721 20 0 DCADHL O=C([O-])[C@H]1CCN(c2nc3ncccc3cc2-c2nn[n-]n2)C1 ZINC001593275376 1167752154 /nfs/dbraw/zinc/75/21/54/1167752154.db2.gz BCYXGGBJCFCRLG-VIFPVBQESA-N -2 3 311.305 0.721 20 0 DCADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2csnn2)n1 ZINC001593282768 1167759349 /nfs/dbraw/zinc/75/93/49/1167759349.db2.gz DZEYNKYFVFVJAA-HNQUOIGGSA-N -2 3 301.291 0.982 20 0 DCADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2csnn2)n1 ZINC001593282768 1167759355 /nfs/dbraw/zinc/75/93/55/1167759355.db2.gz DZEYNKYFVFVJAA-HNQUOIGGSA-N -2 3 301.291 0.982 20 0 DCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccn1)c1cncc(F)c1 ZINC001593444859 1167846537 /nfs/dbraw/zinc/84/65/37/1167846537.db2.gz NKHCSIBANCKCEX-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccn1)c1cncc(F)c1 ZINC001593444859 1167846545 /nfs/dbraw/zinc/84/65/45/1167846545.db2.gz NKHCSIBANCKCEX-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCCCOC(C)C)c1C(=O)[O-] ZINC001600673534 1168242990 /nfs/dbraw/zinc/24/29/90/1168242990.db2.gz IKFYDNNSFZWNOC-UHFFFAOYSA-N -2 3 319.383 0.900 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC001600858395 1168488708 /nfs/dbraw/zinc/48/87/08/1168488708.db2.gz VVWIZNBJVJLHGB-ZJUUUORDSA-N -2 3 319.335 0.104 20 0 DCADHL Cn1[n-]c(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)nc1=O ZINC001601010426 1168561388 /nfs/dbraw/zinc/56/13/88/1168561388.db2.gz MMFBPQHEWSYLPG-HNNXBMFYSA-N -2 3 302.334 0.337 20 0 DCADHL O=C([O-])c1ccn(CCCC(=O)NCCCc2cc(=O)[nH][n-]2)n1 ZINC001601272590 1168685607 /nfs/dbraw/zinc/68/56/07/1168685607.db2.gz ITBAWGFQABDLFH-UHFFFAOYSA-N -2 3 321.337 0.134 20 0 DCADHL O=C([O-])[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc2c(c1)CCO2 ZINC001601399606 1168732613 /nfs/dbraw/zinc/73/26/13/1168732613.db2.gz VXUGLZXXPPDEAT-ZDUSSCGKSA-N -2 3 315.285 0.673 20 0 DCADHL O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601408814 1168735207 /nfs/dbraw/zinc/73/52/07/1168735207.db2.gz LSCCVNDXCLIRTO-GXSJLCMTSA-N -2 3 321.333 0.812 20 0 DCADHL O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001601476594 1168759111 /nfs/dbraw/zinc/75/91/11/1168759111.db2.gz UIOWTUNXLBBGQX-QWRGUYRKSA-N -2 3 318.329 0.492 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H]2C[C@H]21 ZINC001601572783 1168786495 /nfs/dbraw/zinc/78/64/95/1168786495.db2.gz GKUPSIFIYGXJAU-RGOKHQFPSA-N -2 3 303.318 0.899 20 0 DCADHL O=C([O-])CCc1ccccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC001602045068 1168975818 /nfs/dbraw/zinc/97/58/18/1168975818.db2.gz LHQINNXCQRFICD-LBPRGKRZSA-N -2 3 317.345 0.946 20 0 DCADHL O=C([O-])c1ccnc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC001602478374 1169086587 /nfs/dbraw/zinc/08/65/87/1169086587.db2.gz VTOYFOPZHJDFFS-SECBINFHSA-N -2 3 302.290 0.838 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC001602506806 1169101815 /nfs/dbraw/zinc/10/18/15/1169101815.db2.gz SFBQHIAJRHVKTL-MRVPVSSYSA-N -2 3 323.330 0.562 20 0 DCADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]CC(F)F ZINC001602568732 1169120054 /nfs/dbraw/zinc/12/00/54/1169120054.db2.gz SJKWJHKGOWOWQH-UHFFFAOYSA-N -2 3 300.670 0.977 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)[C@H]2C[C@H]21 ZINC001602656247 1169149148 /nfs/dbraw/zinc/14/91/48/1169149148.db2.gz LPJBBFYBECGTCF-PFHCAGJQSA-N -2 3 312.325 0.996 20 0 DCADHL C[C@@H](C(=O)[O-])N(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001603033416 1169236518 /nfs/dbraw/zinc/23/65/18/1169236518.db2.gz YCCGQIWBQUEXEB-QMMMGPOBSA-N -2 3 316.321 0.268 20 0 DCADHL C[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1nn(C)cc1[O-] ZINC001603650852 1169342591 /nfs/dbraw/zinc/34/25/91/1169342591.db2.gz YIEMWZVPLRGMHA-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1nn(C)cc1[O-] ZINC001603650852 1169342596 /nfs/dbraw/zinc/34/25/96/1169342596.db2.gz YIEMWZVPLRGMHA-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL CC1(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001603797103 1169394344 /nfs/dbraw/zinc/39/43/44/1169394344.db2.gz HWZVFWUIYJYPET-UHFFFAOYSA-N -2 3 322.350 0.257 20 0 DCADHL CC1(CC(=O)[N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001603797103 1169394352 /nfs/dbraw/zinc/39/43/52/1169394352.db2.gz HWZVFWUIYJYPET-UHFFFAOYSA-N -2 3 322.350 0.257 20 0 DCADHL C[C@](CO)(NCc1ncc(Br)cc1[O-])C(=O)[O-] ZINC001604197572 1169522039 /nfs/dbraw/zinc/52/20/39/1169522039.db2.gz XIKYOVGKMLGRMX-SNVBAGLBSA-N -2 3 305.128 0.475 20 0 DCADHL CC1(C)OCC([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)CO1 ZINC001604560758 1169616298 /nfs/dbraw/zinc/61/62/98/1169616298.db2.gz VWZMTGQBMCMBAX-UHFFFAOYSA-N -2 3 321.395 0.702 20 0 DCADHL CC1(C[N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)OCCCO1 ZINC001604580102 1169622963 /nfs/dbraw/zinc/62/29/63/1169622963.db2.gz AEKAAXYRTDVRSC-UHFFFAOYSA-N -2 3 307.368 0.314 20 0 DCADHL COC(=O)Cc1c(C)[n-]n(-c2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001604930525 1169750480 /nfs/dbraw/zinc/75/04/80/1169750480.db2.gz OSCAUYJMXZZFEP-SECBINFHSA-N -2 3 315.293 0.164 20 0 DCADHL COC(=O)Cc1c(C)[n-]n(-c2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001604930525 1169750486 /nfs/dbraw/zinc/75/04/86/1169750486.db2.gz OSCAUYJMXZZFEP-SECBINFHSA-N -2 3 315.293 0.164 20 0 DCADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)[O-] ZINC001605244956 1169881101 /nfs/dbraw/zinc/88/11/01/1169881101.db2.gz KULWXQHWSQTRJH-SSDOTTSWSA-N -3 3 305.308 0.900 20 0 DCADHL CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001605487273 1169938247 /nfs/dbraw/zinc/93/82/47/1169938247.db2.gz GEBQVGUOEWIHTE-UHFFFAOYSA-N -2 3 318.351 0.479 20 0 DCADHL CCOC(=O)c1cc(NC(=O)Cc2ccc(C(=O)[O-])nc2)[n-]n1 ZINC001605565805 1169961929 /nfs/dbraw/zinc/96/19/29/1169961929.db2.gz JCPJQOSAVYYTSU-UHFFFAOYSA-N -2 3 318.289 0.861 20 0 DCADHL CCOC(=O)c1cc(NC(=O)Cc2ccc(C(=O)[O-])nc2)n[n-]1 ZINC001605565805 1169961935 /nfs/dbraw/zinc/96/19/35/1169961935.db2.gz JCPJQOSAVYYTSU-UHFFFAOYSA-N -2 3 318.289 0.861 20 0 DCADHL Cc1ccc(NCC2(C(=O)[O-])CCOCC2)nc1-c1nnn[n-]1 ZINC001605873633 1170018227 /nfs/dbraw/zinc/01/82/27/1170018227.db2.gz FEURGSSBRFYRJM-UHFFFAOYSA-N -2 3 318.337 0.863 20 0 DCADHL Cc1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1-c1nnn[n-]1 ZINC001606024774 1170054100 /nfs/dbraw/zinc/05/41/00/1170054100.db2.gz ZHBGWJSOBKFQNL-AWEZNQCLSA-N -2 3 316.321 0.507 20 0 DCADHL Cc1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001606024774 1170054107 /nfs/dbraw/zinc/05/41/07/1170054107.db2.gz ZHBGWJSOBKFQNL-AWEZNQCLSA-N -2 3 316.321 0.507 20 0 DCADHL CN(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CC(F)F ZINC001606132960 1170089624 /nfs/dbraw/zinc/08/96/24/1170089624.db2.gz JZPXSRCRRCGABX-UHFFFAOYSA-N -2 3 312.294 0.453 20 0 DCADHL COC(=O)C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001606439012 1170202806 /nfs/dbraw/zinc/20/28/06/1170202806.db2.gz RFJSTGMGNXAADF-RXMQYKEDSA-N -2 3 308.262 0.367 20 0 DCADHL O=C([O-])C1CC(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606568066 1170235238 /nfs/dbraw/zinc/23/52/38/1170235238.db2.gz VPEDURWNLVUZDY-UHFFFAOYSA-N -2 3 317.305 0.225 20 0 DCADHL O=c1cc(-c2cccc(-c3nn[n-]n3)c2)[n-]n1[C@@H]1CCC[C@H]1O ZINC001607041451 1170364149 /nfs/dbraw/zinc/36/41/49/1170364149.db2.gz ZNCNBEHPKJUMDF-CHWSQXEVSA-N -2 3 312.333 0.717 20 0 DCADHL COc1cccc([O-])c1C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607326626 1170428236 /nfs/dbraw/zinc/42/82/36/1170428236.db2.gz OSERPRZIDVMEDZ-ZDUSSCGKSA-N -2 3 309.318 0.699 20 0 DCADHL 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ZINC000663082413 417987724 /nfs/dbraw/zinc/98/77/24/417987724.db2.gz MIXQAPGKOKOQLM-NSHDSACASA-N -2 3 301.306 0.594 20 0 DCADHL COc1cccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1F ZINC000655575451 418277411 /nfs/dbraw/zinc/27/74/11/418277411.db2.gz IUMOPFAPKUUMQS-UHFFFAOYSA-N -2 3 317.298 0.032 20 0 DCADHL O=C([O-])c1conc1C[N-]S(=O)(=O)CCC(F)(F)F ZINC000656165317 418332852 /nfs/dbraw/zinc/33/28/52/418332852.db2.gz QQRIDWJIQJYPDV-UHFFFAOYSA-N -2 3 302.230 0.745 20 0 DCADHL COc1cccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])c1F ZINC000656718327 418372353 /nfs/dbraw/zinc/37/23/53/418372353.db2.gz WHEIJYJPXQSJRE-HQJQHLMTSA-N -2 3 319.310 0.355 20 0 DCADHL C[C@@]1(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1(F)F ZINC000656727263 418374355 /nfs/dbraw/zinc/37/43/55/418374355.db2.gz HYAANLSLHOLTDE-VIFPVBQESA-N -2 3 309.294 0.291 20 0 DCADHL C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000355405504 261339079 /nfs/dbraw/zinc/33/90/79/261339079.db2.gz BEUUFABPJSRYRG-ZETCQYMHSA-N -2 3 316.364 0.405 20 0 DCADHL C[C@H](CO[N-]C(=O)c1n[nH]c(=O)[n-]1)NC(=O)OC(C)(C)C ZINC000495235282 272242239 /nfs/dbraw/zinc/24/22/39/272242239.db2.gz ABABVYYUXJKVGY-ZCFIWIBFSA-N -2 3 301.303 0.085 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1sc(C)nc1C)CC(=O)[O-] ZINC000530382815 287746228 /nfs/dbraw/zinc/74/62/28/287746228.db2.gz DIKFXJQJDBCTRP-MRVPVSSYSA-N -2 3 308.381 0.528 20 0 DCADHL COc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc(OC)c1[O-] ZINC000546560127 288018877 /nfs/dbraw/zinc/01/88/77/288018877.db2.gz UHPDRVIULKOBLI-SNVBAGLBSA-N -2 3 321.333 0.651 20 0 DCADHL Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000547608185 288061955 /nfs/dbraw/zinc/06/19/55/288061955.db2.gz SRMISEPHEAELTO-SECBINFHSA-N -2 3 301.349 0.586 20 0 DCADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547877997 288087864 /nfs/dbraw/zinc/08/78/64/288087864.db2.gz UKEQIFMUMQAYKW-KOLCDFICSA-N -2 3 317.338 0.902 20 0 DCADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cccs2)C(=O)[O-])c1 ZINC000548537089 288151815 /nfs/dbraw/zinc/15/18/15/288151815.db2.gz IUICVWIPCNLSSF-VIFPVBQESA-N -2 3 315.376 0.685 20 0 DCADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2c[nH]cn2)(C(=O)[O-])C1(C)C ZINC000548684647 288167443 /nfs/dbraw/zinc/16/74/43/288167443.db2.gz NDPSSLSQEJGGAY-UFBFGSQYSA-N -2 3 317.367 0.346 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)s1 ZINC000548837444 288180875 /nfs/dbraw/zinc/18/08/75/288180875.db2.gz UNFNQQABWABUND-UHFFFAOYSA-N -2 3 320.392 0.618 20 0 DCADHL C[C@@]1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCO1 ZINC000582603968 337112544 /nfs/dbraw/zinc/11/25/44/337112544.db2.gz GPAQSDCHPIQZPD-JTQLQIEISA-N -2 3 306.365 0.689 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000575985495 341818456 /nfs/dbraw/zinc/81/84/56/341818456.db2.gz OBRBFYABPZYKGD-IVZWLZJFSA-N -2 3 301.320 0.824 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)c1 ZINC000580548306 341874661 /nfs/dbraw/zinc/87/46/61/341874661.db2.gz NKRPZKZRGSWBDN-SNVBAGLBSA-N -2 3 319.335 0.452 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC001609005531 1159813509 /nfs/dbraw/zinc/81/35/09/1159813509.db2.gz ROQGKTIIRQAYJP-HTQZYQBOSA-N -2 3 320.392 0.671 20 0 DCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2nnn[n-]2)n1 ZINC000674359596 547585245 /nfs/dbraw/zinc/58/52/45/547585245.db2.gz AEUZNFVVOIDNFE-UHFFFAOYSA-N -2 3 317.284 0.469 20 0 DCADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2nn[n-]n2)n1 ZINC000674359596 547585251 /nfs/dbraw/zinc/58/52/51/547585251.db2.gz AEUZNFVVOIDNFE-UHFFFAOYSA-N -2 3 317.284 0.469 20 0 DCADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000681578175 548265920 /nfs/dbraw/zinc/26/59/20/548265920.db2.gz CICBGAYNXRATAA-SCZZXKLOSA-N -2 3 319.383 0.426 20 0 DCADHL O=C([O-])CSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000740485323 597101758 /nfs/dbraw/zinc/10/17/58/597101758.db2.gz LWZOXADVJWHZTF-UHFFFAOYSA-N -2 3 307.335 0.301 20 0 DCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735858807 598331195 /nfs/dbraw/zinc/33/11/95/598331195.db2.gz GEZIFNOXJXWCID-UHFFFAOYSA-N -2 3 324.366 0.182 20 0 DCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735858807 598331197 /nfs/dbraw/zinc/33/11/97/598331197.db2.gz GEZIFNOXJXWCID-UHFFFAOYSA-N -2 3 324.366 0.182 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000737281748 598438049 /nfs/dbraw/zinc/43/80/49/598438049.db2.gz XVVRPAQGEXFFHW-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000737281748 598438051 /nfs/dbraw/zinc/43/80/51/598438051.db2.gz XVVRPAQGEXFFHW-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL O=C([O-])[C@@H]1CC12CCN(Cc1cc(=O)n3[n-]ccc3n1)CC2 ZINC000739532765 600300260 /nfs/dbraw/zinc/30/02/60/600300260.db2.gz PZEPQOGLVWEHHK-NSHDSACASA-N -2 3 302.334 0.709 20 0 DCADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000831590799 601266715 /nfs/dbraw/zinc/26/67/15/601266715.db2.gz MYYKEJCDQSSKOS-LLVKDONJSA-N -2 3 322.770 0.893 20 0 DCADHL Cc1nc(C2([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])CCCC2)no1 ZINC000832995906 601275499 /nfs/dbraw/zinc/27/54/99/601275499.db2.gz NRIJKDNQHDCGIA-MRVPVSSYSA-N -2 3 317.367 0.787 20 0 DCADHL CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829823355 601798711 /nfs/dbraw/zinc/79/87/11/601798711.db2.gz UEFKEOLKZXWOFM-WPRPVWTQSA-N -2 3 307.368 0.358 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833090044 602050686 /nfs/dbraw/zinc/05/06/86/602050686.db2.gz ORZILGVGISVEJL-SFYZADRCSA-N -2 3 324.337 0.623 20 0 DCADHL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CN=c1ncnc2[nH][n-]cc1-2 ZINC000826125363 603578168 /nfs/dbraw/zinc/57/81/68/603578168.db2.gz HHKASEZVTKXXAF-APPZFPTMSA-N -2 3 306.326 0.642 20 0 DCADHL O=C([O-])N1CCN(c2n[nH]c([N-]C(=O)C(F)(F)F)n2)CC1 ZINC000832042196 603954767 /nfs/dbraw/zinc/95/47/67/603954767.db2.gz LFTBUOZBXVJQEX-UHFFFAOYSA-N -2 3 308.220 0.106 20 0 DCADHL O=C([O-])N1CCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000831810745 604001678 /nfs/dbraw/zinc/00/16/78/604001678.db2.gz RORMKEMIJBTIIS-VIFPVBQESA-N -2 3 302.294 0.948 20 0 DCADHL C[C@@H](CN(C)C(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824862840 604160275 /nfs/dbraw/zinc/16/02/75/604160275.db2.gz PPLRGEQOAWKXFQ-VIFPVBQESA-N -2 3 318.337 0.729 20 0 DCADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000828676574 604408689 /nfs/dbraw/zinc/40/86/89/604408689.db2.gz FAJUYQCGERNMDO-SNVBAGLBSA-N -2 3 309.775 0.995 20 0 DCADHL COC[C@](C)(NC(=O)c1cc(NC(C)=O)ccc1[O-])C(=O)[O-] ZINC000833722043 604528219 /nfs/dbraw/zinc/52/82/19/604528219.db2.gz XQBVKJHNNAKJGQ-AWEZNQCLSA-N -2 3 310.306 0.570 20 0 DCADHL COc1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)[O-])C2)c([O-])c1 ZINC000829275460 604770972 /nfs/dbraw/zinc/77/09/72/604770972.db2.gz CVGMEXWRQGFJAQ-ZANVPECISA-N -2 3 324.333 0.898 20 0 DCADHL CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830968663 604809126 /nfs/dbraw/zinc/80/91/26/604809126.db2.gz LIWGBSUWZXYSCB-UHFFFAOYSA-N -2 3 318.351 0.337 20 0 DCADHL CN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827764676 604922834 /nfs/dbraw/zinc/92/28/34/604922834.db2.gz GFRMMOJHSXNKOJ-LLVKDONJSA-N -2 3 321.333 0.333 20 0 DCADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)O[C@@H]1CCN(C(=O)[O-])C1 ZINC000823759268 605403852 /nfs/dbraw/zinc/40/38/52/605403852.db2.gz HPMDKYBBNWIOLB-RKDXNWHRSA-N -2 3 322.383 0.246 20 0 DCADHL CN(CCOC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000828332715 605404865 /nfs/dbraw/zinc/40/48/65/605404865.db2.gz SQQWNOVNQLTLSW-MRVPVSSYSA-N -2 3 310.372 0.103 20 0 DCADHL O=C([O-])N1CCN(CC(=O)Nc2cccc([O-])c2F)C(=O)C1 ZINC000834005732 605715410 /nfs/dbraw/zinc/71/54/10/605715410.db2.gz PUHQMKFMKNICJV-UHFFFAOYSA-N -2 3 311.269 0.292 20 0 DCADHL O=C([O-])c1cn(C2CN(C(=O)c3ccc(O)cc3[O-])C2)nn1 ZINC000317511289 605764891 /nfs/dbraw/zinc/76/48/91/605764891.db2.gz UVHNPIOECPACRZ-UHFFFAOYSA-N -2 3 304.262 0.085 20 0 DCADHL O=C([O-])N1CC(CNC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000834036213 605784607 /nfs/dbraw/zinc/78/46/07/605784607.db2.gz GOHIDZNJAJDEME-UHFFFAOYSA-N -2 3 301.302 0.868 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])C2CC2)nc1Cl ZINC000833951502 605807045 /nfs/dbraw/zinc/80/70/45/605807045.db2.gz UNQCDDQKAZQXKX-SSDOTTSWSA-N -2 3 322.774 0.398 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820576893 606176361 /nfs/dbraw/zinc/17/63/61/606176361.db2.gz BNHNCXGQRYLMPF-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820576893 606176363 /nfs/dbraw/zinc/17/63/63/606176363.db2.gz BNHNCXGQRYLMPF-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823197766 606598909 /nfs/dbraw/zinc/59/89/09/606598909.db2.gz UKSOFPAIPKUGOB-UHFFFAOYSA-N -2 3 320.338 0.115 20 0 DCADHL O=C([O-])[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823031611 607107849 /nfs/dbraw/zinc/10/78/49/607107849.db2.gz DUNJQFXREYHPSB-GFCCVEGCSA-N -2 3 317.305 0.225 20 0 DCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000825074895 608144710 /nfs/dbraw/zinc/14/47/10/608144710.db2.gz KRHDFQNKKGHEJI-SSDOTTSWSA-N -2 3 312.355 0.063 20 0 DCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000825074895 608144711 /nfs/dbraw/zinc/14/47/11/608144711.db2.gz KRHDFQNKKGHEJI-SSDOTTSWSA-N -2 3 312.355 0.063 20 0 DCADHL CCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000825242108 609258792 /nfs/dbraw/zinc/25/87/92/609258792.db2.gz IKRBYNYJYJASBC-LLVKDONJSA-N -2 3 319.321 0.615 20 0 DCADHL Cc1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1F ZINC000826303754 609383019 /nfs/dbraw/zinc/38/30/19/609383019.db2.gz CYNMOAVJRFSBQA-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CC)cc1 ZINC000068716055 658018702 /nfs/dbraw/zinc/01/87/02/658018702.db2.gz AYJXMBDWSDLZDX-UHFFFAOYSA-N -2 3 314.363 0.973 20 0 DCADHL C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)C1 ZINC000725222360 658273965 /nfs/dbraw/zinc/27/39/65/658273965.db2.gz AIMYAARPMTWPHC-MRVPVSSYSA-N -2 3 302.356 0.507 20 0 DCADHL C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)c1ncccc1[O-] ZINC000988686279 662828960 /nfs/dbraw/zinc/82/89/60/662828960.db2.gz TXWMAWSVQPTTAW-BDAKNGLRSA-N -2 3 318.337 0.004 20 0 DCADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc2c(cc1[O-])OCO2 ZINC000436990078 663604987 /nfs/dbraw/zinc/60/49/87/663604987.db2.gz TWNVWKFJTMPLLW-UHFFFAOYSA-N -2 3 306.278 0.307 20 0 DCADHL N#Cc1ccccc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000057723577 664449143 /nfs/dbraw/zinc/44/91/43/664449143.db2.gz VGFFBZNIGWDZAK-UHFFFAOYSA-N -2 3 302.315 0.577 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)s1 ZINC000926603884 668415094 /nfs/dbraw/zinc/41/50/94/668415094.db2.gz KLNJVAXWQKVOEU-UYXSQOIJSA-N -2 3 302.377 0.839 20 0 DCADHL CC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)OC)C(=O)[O-] ZINC000776536355 668877439 /nfs/dbraw/zinc/87/74/39/668877439.db2.gz CYSKQWBEZBVEDB-LURJTMIESA-N -2 3 322.364 0.319 20 0 DCADHL O=C(Cn1cc(Br)c(=O)[n-]c1=O)[N-]OC1CCC1 ZINC000812788516 670596815 /nfs/dbraw/zinc/59/68/15/670596815.db2.gz ZACNBHWWEASRSK-UHFFFAOYSA-N -2 3 318.127 0.312 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC000853070630 671206622 /nfs/dbraw/zinc/20/66/22/671206622.db2.gz ZAHRDNKOFQWBHR-MRVPVSSYSA-N -2 3 319.770 0.834 20 0 DCADHL C[C@H](CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824420642 671430247 /nfs/dbraw/zinc/43/02/47/671430247.db2.gz MZZSMQCUXZAHSJ-RKDXNWHRSA-N -2 3 319.321 0.471 20 0 DCADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2c[nH]nc2Cl)CCC1 ZINC000837288337 671855079 /nfs/dbraw/zinc/85/50/79/671855079.db2.gz NRLKNXPMEPXVER-UHFFFAOYSA-N -2 3 307.759 0.986 20 0 DCADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)CC1CC1 ZINC000844819998 672205157 /nfs/dbraw/zinc/20/51/57/672205157.db2.gz BLZAMKQSXAKGSL-SSDOTTSWSA-N -2 3 307.759 0.842 20 0 DCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000846003661 672288317 /nfs/dbraw/zinc/28/83/17/672288317.db2.gz IZTXJCUIMDKYAQ-UHFFFAOYSA-N -2 3 310.734 0.825 20 0 DCADHL C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573654625 1163523660 /nfs/dbraw/zinc/52/36/60/1163523660.db2.gz MNWZKUWMFWECJI-SFYZADRCSA-N -2 3 303.340 0.059 20 0 DCADHL Cc1nc(NCc2nc3c(c(=O)[n-]2)COCC3)cc(C(=O)[O-])n1 ZINC001574191928 1163657853 /nfs/dbraw/zinc/65/78/53/1163657853.db2.gz IPZLNWOUXPPCEI-UHFFFAOYSA-N -2 3 317.305 0.664 20 0 DCADHL C[C@H](NC(=O)c1cscc1-c1nnn[n-]1)c1nn(C)cc1[O-] ZINC001575358216 1163986152 /nfs/dbraw/zinc/98/61/52/1163986152.db2.gz ZOIMUYPRVGLVEL-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL C[C@H](NC(=O)c1cscc1-c1nn[n-]n1)c1nn(C)cc1[O-] ZINC001575358216 1163986155 /nfs/dbraw/zinc/98/61/55/1163986155.db2.gz ZOIMUYPRVGLVEL-LURJTMIESA-N -2 3 319.350 0.858 20 0 DCADHL CC(C)(O)CO[N-]C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001589338730 1166649187 /nfs/dbraw/zinc/64/91/87/1166649187.db2.gz LFBSBEVYKUIZQF-UHFFFAOYSA-N -2 3 323.378 0.778 20 0 DCADHL CC(C)(O)CO[N-]C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001589338730 1166649197 /nfs/dbraw/zinc/64/91/97/1166649197.db2.gz LFBSBEVYKUIZQF-UHFFFAOYSA-N -2 3 323.378 0.778 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001589435626 1166658719 /nfs/dbraw/zinc/65/87/19/1166658719.db2.gz KTGNYOXZHIRXIY-VIFPVBQESA-N -2 3 323.378 0.964 20 0 DCADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001589435626 1166658723 /nfs/dbraw/zinc/65/87/23/1166658723.db2.gz KTGNYOXZHIRXIY-VIFPVBQESA-N -2 3 323.378 0.964 20 0 DCADHL C[C@@H](CN(C)c1nc2ncccc2cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589846609 1166697009 /nfs/dbraw/zinc/69/70/09/1166697009.db2.gz HBHRTUGTFDILGD-QMMMGPOBSA-N -2 3 313.321 0.967 20 0 DCADHL C[C@@H](CN(C)c1nc2ncccc2cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589846609 1166697014 /nfs/dbraw/zinc/69/70/14/1166697014.db2.gz HBHRTUGTFDILGD-QMMMGPOBSA-N -2 3 313.321 0.967 20 0 DCADHL C[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589858453 1166699189 /nfs/dbraw/zinc/69/91/89/1166699189.db2.gz QSPUITYMDPRLPO-BDAKNGLRSA-N -2 3 318.337 0.948 20 0 DCADHL CCOC(=O)c1[n-]n(-c2ccc(-c3nnn[n-]3)cn2)c(=O)c1C ZINC001590758895 1167008740 /nfs/dbraw/zinc/00/87/40/1167008740.db2.gz QLXMXXASWIXHNW-ZETCQYMHSA-N -2 3 315.293 0.164 20 0 DCADHL CCOC(=O)c1[n-]n(-c2ccc(-c3nn[n-]n3)cn2)c(=O)c1C ZINC001590758895 1167008744 /nfs/dbraw/zinc/00/87/44/1167008744.db2.gz QLXMXXASWIXHNW-ZETCQYMHSA-N -2 3 315.293 0.164 20 0 DCADHL COc1ccc(CNCC(F)(F)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001591597789 1167336449 /nfs/dbraw/zinc/33/64/49/1167336449.db2.gz PCNKMMVRMAMWQG-UHFFFAOYSA-N -2 3 313.264 0.685 20 0 DCADHL COc1ccc(CNCC(F)(F)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001591597789 1167336455 /nfs/dbraw/zinc/33/64/55/1167336455.db2.gz PCNKMMVRMAMWQG-UHFFFAOYSA-N -2 3 313.264 0.685 20 0 DCADHL CSCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591701533 1167358129 /nfs/dbraw/zinc/35/81/29/1167358129.db2.gz UTINFGJRVCEOMV-UHFFFAOYSA-N -2 3 322.350 0.216 20 0 DCADHL CSCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591701533 1167358134 /nfs/dbraw/zinc/35/81/34/1167358134.db2.gz UTINFGJRVCEOMV-UHFFFAOYSA-N -2 3 322.350 0.216 20 0 DCADHL Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc(-c2nnn[n-]2)n1 ZINC001592010549 1167435463 /nfs/dbraw/zinc/43/54/63/1167435463.db2.gz PFZZSXMWZOBLOO-YMTOWFKASA-N -2 3 316.321 0.108 20 0 DCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cncc(F)c2)c1-c1nnn[n-]1 ZINC001592331625 1167491183 /nfs/dbraw/zinc/49/11/83/1167491183.db2.gz LKPQUFIUGGWRJI-UHFFFAOYSA-N -2 3 324.301 0.233 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)[N-]O[C@H]1CCCCO1 ZINC001592876374 1167655916 /nfs/dbraw/zinc/65/59/16/1167655916.db2.gz QHAZOAHCUDBIAO-ZDUSSCGKSA-N -2 3 318.337 0.853 20 0 DCADHL O=C([O-])C1(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001592912789 1167662825 /nfs/dbraw/zinc/66/28/25/1167662825.db2.gz YCUDTZDWNOUFDC-UHFFFAOYSA-N -2 3 315.333 0.780 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593004911 1167684662 /nfs/dbraw/zinc/68/46/62/1167684662.db2.gz ONXXMIIUVMSJQX-GRYCIOLGSA-N -2 3 313.317 0.171 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001593171404 1167730888 /nfs/dbraw/zinc/73/08/88/1167730888.db2.gz WKXBJKLSYPDBHX-AXTRIDKLSA-N -2 3 313.317 0.892 20 0 DCADHL O=C([O-])CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001593278783 1167756520 /nfs/dbraw/zinc/75/65/20/1167756520.db2.gz XWOLMXBOYAAMKH-UHFFFAOYSA-N -2 3 308.273 0.280 20 0 DCADHL O=C([O-])CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001593278783 1167756524 /nfs/dbraw/zinc/75/65/24/1167756524.db2.gz XWOLMXBOYAAMKH-UHFFFAOYSA-N -2 3 308.273 0.280 20 0 DCADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1O)c1ccco1 ZINC001593444977 1167844216 /nfs/dbraw/zinc/84/42/16/1167844216.db2.gz XOZZJRJPFGIWCM-UHFFFAOYSA-N -2 3 307.291 0.966 20 0 DCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccco1 ZINC001593444977 1167844220 /nfs/dbraw/zinc/84/42/20/1167844220.db2.gz XOZZJRJPFGIWCM-UHFFFAOYSA-N -2 3 307.291 0.966 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)N=S(=O)(CC)CC)C(=O)[O-] ZINC001596002023 1167984362 /nfs/dbraw/zinc/98/43/62/1167984362.db2.gz QKHCFSGYWPWCPW-MRVPVSSYSA-N -2 3 300.402 0.582 20 0 DCADHL COC(=O)C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001598727791 1168032688 /nfs/dbraw/zinc/03/26/88/1168032688.db2.gz ZHACHQLQDWDSMO-UHFFFAOYSA-N -2 3 303.292 0.209 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCOC[C@H]2C)oc1C(=O)[O-] ZINC001600298438 1168160078 /nfs/dbraw/zinc/16/00/78/1168160078.db2.gz GQGNHPHIHMIRLQ-BDAKNGLRSA-N -2 3 303.336 0.990 20 0 DCADHL Cc1cccc([O-])c1C(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC001600542802 1168198059 /nfs/dbraw/zinc/19/80/59/1168198059.db2.gz PQEJTISOLBWMQV-UHFFFAOYSA-N -2 3 302.290 0.687 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)c2nccn2C)c1C(=O)[O-] ZINC001600672257 1168240939 /nfs/dbraw/zinc/24/09/39/1168240939.db2.gz BFPSQXVAOOKURL-SSDOTTSWSA-N -2 3 313.339 0.189 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c(=O)[n-]1 ZINC001600691122 1168252029 /nfs/dbraw/zinc/25/20/29/1168252029.db2.gz QHIBIBDBXJHVQL-ZDUSSCGKSA-N -2 3 323.349 0.026 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](F)C(=O)[O-] ZINC001600891058 1168495557 /nfs/dbraw/zinc/49/55/57/1168495557.db2.gz SMYVPUCPXWPSMF-QMMMGPOBSA-N -2 3 322.296 0.704 20 0 DCADHL O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001601476589 1168759474 /nfs/dbraw/zinc/75/94/74/1168759474.db2.gz UIOWTUNXLBBGQX-GHMZBOCLSA-N -2 3 318.329 0.492 20 0 DCADHL O=C([O-])[C@@H]1[C@H](CNC(=O)c2cc3c(cc2[O-])OCO3)C1(F)F ZINC001601529677 1168778379 /nfs/dbraw/zinc/77/83/79/1168778379.db2.gz QIZBEHVVCNBSOV-WKEGUHRASA-N -2 3 315.228 0.817 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@H]([C@@H]2CCCO2)C1 ZINC001601825116 1168907186 /nfs/dbraw/zinc/90/71/86/1168907186.db2.gz YHXMARUAXSCDCS-USWWRNFRSA-N -2 3 321.333 0.667 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(CO)CCC1 ZINC001602588553 1169127163 /nfs/dbraw/zinc/12/71/63/1169127163.db2.gz ANEWUQKOOKVVQR-UHFFFAOYSA-N -2 3 306.365 0.282 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCn1cccc1 ZINC001602588703 1169128032 /nfs/dbraw/zinc/12/80/32/1169128032.db2.gz IDAUHXJBKXMOCC-UHFFFAOYSA-N -2 3 301.349 0.621 20 0 DCADHL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603208646 1169275216 /nfs/dbraw/zinc/27/52/16/1169275216.db2.gz LUBPKCPNLBCZJF-MRVPVSSYSA-N -2 3 324.366 0.359 20 0 DCADHL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603208646 1169275223 /nfs/dbraw/zinc/27/52/23/1169275223.db2.gz LUBPKCPNLBCZJF-MRVPVSSYSA-N -2 3 324.366 0.359 20 0 DCADHL C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604244676 1169531180 /nfs/dbraw/zinc/53/11/80/1169531180.db2.gz YUWIQLOHFLSDSL-QMMMGPOBSA-N -2 3 313.335 0.621 20 0 DCADHL CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001604946784 1169758229 /nfs/dbraw/zinc/75/82/29/1169758229.db2.gz OZQCZDICHUNIRS-GMSGAONNSA-N -2 3 305.352 0.972 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(C)C ZINC001606680506 1170259829 /nfs/dbraw/zinc/25/98/29/1170259829.db2.gz STYWBJBLWVMCCR-QMMMGPOBSA-N -2 3 305.356 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Cc1cc(S(=O)(=O)[N-]N=c2nccc[nH]2)sc1C(=O)[O-] ZINC000048653847 658056111 /nfs/dbraw/zinc/05/61/11/658056111.db2.gz KGMIPTJGDSQLHR-UHFFFAOYSA-N -2 3 314.348 0.850 20 0 DCADHL COc1ccc(OC)c(S(=O)(=O)[N-][N-]C(=O)NC(C)C)c1 ZINC000062930892 664624891 /nfs/dbraw/zinc/62/48/91/664624891.db2.gz AMWVZNPDZMASAF-UHFFFAOYSA-N -2 3 317.367 0.605 20 0 DCADHL CO[C@H](CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1ccc(F)cc1 ZINC000863409848 667140493 /nfs/dbraw/zinc/14/04/93/667140493.db2.gz MNEOZMIGDLKFBI-GHMZBOCLSA-N -2 3 323.317 0.855 20 0 DCADHL CCC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1nnn[n-]1 ZINC000136646015 667732668 /nfs/dbraw/zinc/73/26/68/667732668.db2.gz KXYNBIFIQQABKM-SNVBAGLBSA-N -2 3 313.321 0.707 20 0 DCADHL CCC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1nn[n-]n1 ZINC000136646015 667732671 /nfs/dbraw/zinc/73/26/71/667732671.db2.gz KXYNBIFIQQABKM-SNVBAGLBSA-N -2 3 313.321 0.707 20 0 DCADHL O=C(NN1CC(=O)[N-]C1=O)c1ccc(Br)c([O-])c1 ZINC000763433939 668409688 /nfs/dbraw/zinc/40/96/88/668409688.db2.gz KORZZQPQJOZEFH-UHFFFAOYSA-N -2 3 314.095 0.351 20 0 DCADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OCCN1CCCC1=O ZINC000856040690 670780173 /nfs/dbraw/zinc/78/01/73/670780173.db2.gz NGBLAODNLXIVJC-UHFFFAOYSA-N -2 3 322.365 0.898 20 0 DCADHL Cc1cnc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c([O-])c1 ZINC000831135442 671655413 /nfs/dbraw/zinc/65/54/13/671655413.db2.gz XXTYWTSJBUKHAU-UHFFFAOYSA-N -2 3 317.267 0.846 20 0 DCADHL Cn1[n-]c(C(C)(C)C)cc1=NC(=O)CN(CC(=O)[O-])CC1CC1 ZINC000844837794 672206292 /nfs/dbraw/zinc/20/62/92/672206292.db2.gz MYOXLLSCRKMTHS-UHFFFAOYSA-N -2 3 322.409 0.875 20 0 DCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)C(C)C)c1 ZINC000145582090 685130366 /nfs/dbraw/zinc/13/03/66/685130366.db2.gz WIWHWALSCBNSHJ-UHFFFAOYSA-N -2 3 318.326 0.578 20 0 DCADHL O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-] ZINC001010265972 691203116 /nfs/dbraw/zinc/20/31/16/691203116.db2.gz FBSFYJVSACVTBV-SECBINFHSA-N -2 3 303.322 0.220 20 0 DCADHL Cc1nc(C)c(CC(=O)N2CCO[C@@](C)(C(=O)[O-])C2)c(=O)[n-]1 ZINC001574188042 1163656876 /nfs/dbraw/zinc/65/68/76/1163656876.db2.gz ORDNGZIEBQPRFU-CQSZACIVSA-N -2 3 309.322 0.044 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001581133190 1165789717 /nfs/dbraw/zinc/78/97/17/1165789717.db2.gz PRKZOTJVKFYREF-UHFFFAOYSA-N -2 3 315.293 0.124 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001581133190 1165789723 /nfs/dbraw/zinc/78/97/23/1165789723.db2.gz PRKZOTJVKFYREF-UHFFFAOYSA-N -2 3 315.293 0.124 20 0 DCADHL C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1nn(C)cc1[O-] ZINC001589945007 1166729014 /nfs/dbraw/zinc/72/90/14/1166729014.db2.gz ZWXVIPFKDOIDIO-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1nn(C)cc1[O-] ZINC001589945007 1166729019 /nfs/dbraw/zinc/72/90/19/1166729019.db2.gz ZWXVIPFKDOIDIO-ZETCQYMHSA-N -2 3 314.309 0.192 20 0 DCADHL CC[C@H](CS(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1)OC ZINC001590447023 1166907088 /nfs/dbraw/zinc/90/70/88/1166907088.db2.gz JSSSJBDIELAKAX-ZCFIWIBFSA-N -2 3 318.384 0.490 20 0 DCADHL CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC001590469658 1166917530 /nfs/dbraw/zinc/91/75/30/1166917530.db2.gz KHZPYNSUCUKTBR-VIFPVBQESA-N -2 3 311.323 0.008 20 0 DCADHL CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590469658 1166917536 /nfs/dbraw/zinc/91/75/36/1166917536.db2.gz KHZPYNSUCUKTBR-VIFPVBQESA-N -2 3 311.323 0.008 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001590818527 1167030946 /nfs/dbraw/zinc/03/09/46/1167030946.db2.gz DFRDZSFFWGGMCP-UHFFFAOYSA-N -2 3 311.327 0.117 20 0 DCADHL CCO[N-]C(=O)CNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001590818527 1167030951 /nfs/dbraw/zinc/03/09/51/1167030951.db2.gz DFRDZSFFWGGMCP-UHFFFAOYSA-N -2 3 311.327 0.117 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)CSCC(=O)[O-] ZINC001591489149 1167313177 /nfs/dbraw/zinc/31/31/77/1167313177.db2.gz MBFJFEVTFTXRBN-UHFFFAOYSA-N -2 3 323.334 0.632 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)CSCC(=O)[O-] ZINC001591489149 1167313186 /nfs/dbraw/zinc/31/31/86/1167313186.db2.gz MBFJFEVTFTXRBN-UHFFFAOYSA-N -2 3 323.334 0.632 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cncnc1 ZINC001591872827 1167403421 /nfs/dbraw/zinc/40/34/21/1167403421.db2.gz FCTDKHUGWVMOIG-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cncnc1 ZINC001591872827 1167403427 /nfs/dbraw/zinc/40/34/27/1167403427.db2.gz FCTDKHUGWVMOIG-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cnc(C)c(-c3nnn[n-]3)c2)no1 ZINC001592053821 1167445937 /nfs/dbraw/zinc/44/59/37/1167445937.db2.gz BIZVLORHRPBTHL-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cnc(C)c(-c3nn[n-]n3)c2)no1 ZINC001592053821 1167445942 /nfs/dbraw/zinc/44/59/42/1167445942.db2.gz BIZVLORHRPBTHL-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1nnc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)o1 ZINC001592440833 1167525823 /nfs/dbraw/zinc/52/58/23/1167525823.db2.gz APTWTQHUTIVEDA-UHFFFAOYSA-N -2 3 301.266 0.211 20 0 DCADHL Cc1nnc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)o1 ZINC001592440833 1167525830 /nfs/dbraw/zinc/52/58/30/1167525830.db2.gz APTWTQHUTIVEDA-UHFFFAOYSA-N -2 3 301.266 0.211 20 0 DCADHL Cc1nnc(N2CC[C@](C)(C(=O)[O-])C2)c(-c2nnn[n-]2)c1C ZINC001592447739 1167527605 /nfs/dbraw/zinc/52/76/05/1167527605.db2.gz AFMJPRODDVSEBO-ZDUSSCGKSA-N -2 3 303.326 0.575 20 0 DCADHL Cc1nnc(N2CC[C@](C)(C(=O)[O-])C2)c(-c2nn[n-]n2)c1C ZINC001592447739 1167527610 /nfs/dbraw/zinc/52/76/10/1167527610.db2.gz AFMJPRODDVSEBO-ZDUSSCGKSA-N -2 3 303.326 0.575 20 0 DCADHL O=C(CCCF)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592836424 1167646567 /nfs/dbraw/zinc/64/65/67/1167646567.db2.gz AUNHNFRNUKLERD-UHFFFAOYSA-N -2 3 313.314 0.421 20 0 DCADHL O=C(CCCF)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592836424 1167646573 /nfs/dbraw/zinc/64/65/73/1167646573.db2.gz AUNHNFRNUKLERD-UHFFFAOYSA-N -2 3 313.314 0.421 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)O1 ZINC001593275742 1167751075 /nfs/dbraw/zinc/75/10/75/1167751075.db2.gz XGRMEFZFAYTVHY-NXEZZACHSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)O1 ZINC001593275742 1167751083 /nfs/dbraw/zinc/75/10/83/1167751083.db2.gz XGRMEFZFAYTVHY-NXEZZACHSA-N -2 3 321.268 0.577 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)o1 ZINC001593489786 1167874256 /nfs/dbraw/zinc/87/42/56/1167874256.db2.gz IBXHKQAAURUURJ-QMMMGPOBSA-N -2 3 314.309 0.734 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)o1 ZINC001593489786 1167874259 /nfs/dbraw/zinc/87/42/59/1167874259.db2.gz IBXHKQAAURUURJ-QMMMGPOBSA-N -2 3 314.309 0.734 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCN(Cc3oncc3C(=O)[O-])CC2)n1 ZINC001600064974 1168109794 /nfs/dbraw/zinc/10/97/94/1168109794.db2.gz LDTQEODQWCQRLF-UHFFFAOYSA-N -2 3 319.321 0.499 20 0 DCADHL Cc1nc(C)c(CC(=O)NC2(C(=O)[O-])CCOCC2)c(=O)[n-]1 ZINC001600691970 1168251979 /nfs/dbraw/zinc/25/19/79/1168251979.db2.gz YBDHWECLFPWCRI-UHFFFAOYSA-N -2 3 309.322 0.092 20 0 DCADHL Cc1c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)cnn1CC(=O)[O-] ZINC001600691987 1168252122 /nfs/dbraw/zinc/25/21/22/1168252122.db2.gz YWSMRXYXYXEWKL-UHFFFAOYSA-N -2 3 319.321 0.570 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@]2(CC(=O)[O-])CCCOC2)c(=O)[n-]1 ZINC001600691885 1168252922 /nfs/dbraw/zinc/25/29/22/1168252922.db2.gz TXSMSSPERVNWSW-HNNXBMFYSA-N -2 3 323.349 0.482 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](C)/C=C\C(=O)[O-] ZINC001600790562 1168297102 /nfs/dbraw/zinc/29/71/02/1168297102.db2.gz LFHCCYDUCHBEFY-LGYSABEFSA-N -2 3 310.335 0.345 20 0 DCADHL Cn1ncc2c1nc(SCC(=O)C(C)(C)C(=O)[O-])[n-]c2=O ZINC001601030932 1168572544 /nfs/dbraw/zinc/57/25/44/1168572544.db2.gz MPQFWWKGNLZBCC-UHFFFAOYSA-N -2 3 310.335 0.841 20 0 DCADHL O=C([O-])[C@H](CC1CC1)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001601322385 1168708879 /nfs/dbraw/zinc/70/88/79/1168708879.db2.gz MHQPQPLBCFIUFF-LBPRGKRZSA-N -2 3 306.318 0.492 20 0 DCADHL O=C([O-])c1cccc(CC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001601363697 1168719290 /nfs/dbraw/zinc/71/92/90/1168719290.db2.gz HVVOLBMWRRYCAY-LBPRGKRZSA-N -2 3 303.318 0.556 20 0 DCADHL O=C([O-])c1cccc(CC(=O)[N-]OCCN2CCCC2=O)c1 ZINC001601364796 1168720377 /nfs/dbraw/zinc/72/03/77/1168720377.db2.gz LXOICBBBJKLJBA-UHFFFAOYSA-N -2 3 306.318 0.598 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601825115 1168907550 /nfs/dbraw/zinc/90/75/50/1168907550.db2.gz YHXMARUAXSCDCS-JLLWLGSASA-N -2 3 321.333 0.667 20 0 DCADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2cccnc2Cl)CCOC1 ZINC001601938489 1168940426 /nfs/dbraw/zinc/94/04/26/1168940426.db2.gz WALBOPNPNURWLE-NSHDSACASA-N -2 3 320.754 0.647 20 0 DCADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C[C@H]1COc2ccccc2O1 ZINC001602170722 1169013404 /nfs/dbraw/zinc/01/34/04/1169013404.db2.gz UTHNJORFQZNIAA-BDAKNGLRSA-N -2 3 319.310 0.169 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCO[C@@H]2CCCCO2)o1 ZINC001602399144 1169072073 /nfs/dbraw/zinc/07/20/73/1169072073.db2.gz SANJTNOZSNRFRW-SNVBAGLBSA-N -2 3 319.335 0.799 20 0 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/nfs/dbraw/zinc/21/66/20/546216620.db2.gz SJCGZUDTGHNERY-UHFFFAOYSA-N -2 3 318.326 0.328 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000737300995 598930363 /nfs/dbraw/zinc/93/03/63/598930363.db2.gz GPYIHNQWLQKBHE-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000737300995 598930365 /nfs/dbraw/zinc/93/03/65/598930365.db2.gz GPYIHNQWLQKBHE-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000737226356 599029949 /nfs/dbraw/zinc/02/99/49/599029949.db2.gz XBOPYIGYMXWTNO-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000737226356 599029952 /nfs/dbraw/zinc/02/99/52/599029952.db2.gz XBOPYIGYMXWTNO-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL Cc1conc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822410118 607380810 /nfs/dbraw/zinc/38/08/10/607380810.db2.gz XFHYDCYRGBGNGG-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1conc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822410118 607380811 /nfs/dbraw/zinc/38/08/11/607380811.db2.gz XFHYDCYRGBGNGG-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)CC(C)C ZINC000826249884 607399331 /nfs/dbraw/zinc/39/93/31/607399331.db2.gz ZQXGCOPGDJCXMW-UHFFFAOYSA-N -2 3 323.378 0.891 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)CC(C)C ZINC000826249884 607399332 /nfs/dbraw/zinc/39/93/32/607399332.db2.gz ZQXGCOPGDJCXMW-UHFFFAOYSA-N -2 3 323.378 0.891 20 0 DCADHL CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736287337 600263672 /nfs/dbraw/zinc/26/36/72/600263672.db2.gz OOUJYUKITGDINS-IBGZPJMESA-N -2 3 323.392 0.803 20 0 DCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000737573489 600444249 /nfs/dbraw/zinc/44/42/49/600444249.db2.gz KCIKLYLKGNUWLD-ZCFIWIBFSA-N -2 3 322.726 0.030 20 0 DCADHL CC(C)N1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1=O ZINC000736474851 600444695 /nfs/dbraw/zinc/44/46/95/600444695.db2.gz ORGQYMAYWWWIQD-QMMMGPOBSA-N -2 3 316.335 0.265 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833090383 600916442 /nfs/dbraw/zinc/91/64/42/600916442.db2.gz ZAWJEMCOVMEKJM-LURJTMIESA-N -2 3 310.291 0.087 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2nncn2C)cc1C(=O)[O-] ZINC000833027125 601217221 /nfs/dbraw/zinc/21/72/21/601217221.db2.gz CGDRQKYRPSGUHD-LURJTMIESA-N -2 3 314.323 0.454 20 0 DCADHL CCC(CC)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(N)=O ZINC000828849235 601219096 /nfs/dbraw/zinc/21/90/96/601219096.db2.gz UEPODYUBRBHMJX-UHFFFAOYSA-N -2 3 318.351 0.609 20 0 DCADHL CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000068406207 601327206 /nfs/dbraw/zinc/32/72/06/601327206.db2.gz NSCMFRLQLYSZHR-UHFFFAOYSA-N -3 3 315.351 0.514 20 0 DCADHL COC[C@](C)(CC(=O)[O-])N/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000831573451 601377581 /nfs/dbraw/zinc/37/75/81/601377581.db2.gz OQNHCQAGEHQWHR-LJEUOOAZSA-N -2 3 318.329 0.767 20 0 DCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)n1 ZINC000833020649 601512855 /nfs/dbraw/zinc/51/28/55/601512855.db2.gz JTZQUVDSYMKVJS-ZETCQYMHSA-N -2 3 303.340 0.613 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000833089956 601786170 /nfs/dbraw/zinc/78/61/70/601786170.db2.gz IOOIZOJFCKJASP-MRVPVSSYSA-N -2 3 310.310 0.233 20 0 DCADHL O=C([O-])C1(NC(=O)c2ccccc2[O-])CCS(=O)(=O)CC1 ZINC000833129175 601821178 /nfs/dbraw/zinc/82/11/78/601821178.db2.gz FIQRFGRKXOHOQC-UHFFFAOYSA-N -2 3 313.331 0.154 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000831260723 603842888 /nfs/dbraw/zinc/84/28/88/603842888.db2.gz RKRJSGYVMLSANX-UHFFFAOYSA-N -2 3 306.234 0.779 20 0 DCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000833721750 604723654 /nfs/dbraw/zinc/72/36/54/604723654.db2.gz FXIMFTXIMIULIL-CQSZACIVSA-N -2 3 311.290 0.731 20 0 DCADHL O=C([O-])N1CCO[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000831810092 604825311 /nfs/dbraw/zinc/82/53/11/604825311.db2.gz ITUBNEPSJHXTCE-QMMMGPOBSA-N -2 3 307.266 0.382 20 0 DCADHL CC(C)OC(=O)C[N-]S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC000833502147 605025420 /nfs/dbraw/zinc/02/54/20/605025420.db2.gz HUSJLCNPXZRUQG-UHFFFAOYSA-N -2 3 315.347 0.756 20 0 DCADHL C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833627837 605210002 /nfs/dbraw/zinc/21/00/02/605210002.db2.gz VQBKSMBOGAKATJ-KCJUWKMLSA-N -2 3 314.363 0.739 20 0 DCADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000833655516 605302065 /nfs/dbraw/zinc/30/20/65/605302065.db2.gz BZVYZOVLDBUGDG-LURJTMIESA-N -2 3 322.364 0.319 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)nc1Cl ZINC000831014718 605629018 /nfs/dbraw/zinc/62/90/18/605629018.db2.gz XRNAZJFVGXFOJI-ZETCQYMHSA-N -2 3 322.774 0.494 20 0 DCADHL O=C([O-])NC1(CC(=O)N2CCc3nc[n-]c(=O)c3C2)CCC1 ZINC000834153768 605834094 /nfs/dbraw/zinc/83/40/94/605834094.db2.gz ALMPKSRWGBUTPE-UHFFFAOYSA-N -2 3 306.322 0.647 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820577316 606758056 /nfs/dbraw/zinc/75/80/56/606758056.db2.gz OBZHKUXBQUOOSL-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820577316 606758058 /nfs/dbraw/zinc/75/80/58/606758058.db2.gz OBZHKUXBQUOOSL-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL COCCS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826162973 608107711 /nfs/dbraw/zinc/10/77/11/608107711.db2.gz ASJWSHZIXWJMAM-UHFFFAOYSA-N -2 3 317.758 0.908 20 0 DCADHL O=C([O-])[C@@H](CC1CC1)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000324023074 664673606 /nfs/dbraw/zinc/67/36/06/664673606.db2.gz NXPLZNJLVGOLDO-LLVKDONJSA-N -2 3 317.301 0.945 20 0 DCADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)nc3)ccc21 ZINC000764541452 668452673 /nfs/dbraw/zinc/45/26/73/668452673.db2.gz LOVFZIYUTCMQQO-UHFFFAOYSA-N -2 3 321.289 0.905 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-] ZINC000776589654 668878790 /nfs/dbraw/zinc/87/87/90/668878790.db2.gz ZCFGYVZVOLDFFO-LURJTMIESA-N -2 3 309.775 0.771 20 0 DCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000785094555 669236905 /nfs/dbraw/zinc/23/69/05/669236905.db2.gz LIRWEKFGIWDLJZ-ZETCQYMHSA-N -2 3 301.368 0.586 20 0 DCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C/C=C\C(=O)[O-] ZINC000788446613 669440269 /nfs/dbraw/zinc/44/02/69/669440269.db2.gz NTYCRZIPCXFENG-UTCJRWHESA-N -2 3 317.294 0.531 20 0 DCADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000788448850 669441130 /nfs/dbraw/zinc/44/11/30/669441130.db2.gz STSPYYHQKYFHEH-OWOJBTEDSA-N -2 3 321.152 0.763 20 0 DCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(-c2cncnc2)cc1F ZINC000820283450 671187414 /nfs/dbraw/zinc/18/74/14/671187414.db2.gz WODVIOHWWOSGGS-UHFFFAOYSA-N -2 3 316.252 0.669 20 0 DCADHL C[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824730683 671438916 /nfs/dbraw/zinc/43/89/16/671438916.db2.gz PSBWAMIFDYVQSX-BDAKNGLRSA-N -2 3 319.321 0.566 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC000826322554 671483861 /nfs/dbraw/zinc/48/38/61/671483861.db2.gz RQSJJDXWJNZFJO-UHFFFAOYSA-N -2 3 324.326 0.304 20 0 DCADHL CSc1ccc([O-])c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000826833454 671502334 /nfs/dbraw/zinc/50/23/34/671502334.db2.gz DBJKEEPISKTZPH-NSHDSACASA-N -2 3 321.362 0.841 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCCOC2)o1 ZINC000830098322 671612814 /nfs/dbraw/zinc/61/28/14/671612814.db2.gz PVUBAHSBFDCIGU-LBPRGKRZSA-N -2 3 303.336 0.890 20 0 DCADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837295491 671855312 /nfs/dbraw/zinc/85/53/12/671855312.db2.gz UGGYAWILHXBEFO-SNVBAGLBSA-N -2 3 319.310 0.315 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1 ZINC001573448123 1163439062 /nfs/dbraw/zinc/43/90/62/1163439062.db2.gz BJKKDDMODGVYCP-CQSZACIVSA-N -2 3 308.290 0.012 20 0 DCADHL CCOC(=O)c1nc([C@@H](C)NCc2cc(C(=O)[O-])n[nH]2)n[n-]1 ZINC001573793903 1163555576 /nfs/dbraw/zinc/55/55/76/1163555576.db2.gz SGRUOWUTKHOPHA-ZCFIWIBFSA-N -2 3 308.298 0.254 20 0 DCADHL CCOC(=O)c1nnc([C@@H](C)NCc2cc(C(=O)[O-])n[nH]2)[n-]1 ZINC001573793903 1163555581 /nfs/dbraw/zinc/55/55/81/1163555581.db2.gz SGRUOWUTKHOPHA-ZCFIWIBFSA-N -2 3 308.298 0.254 20 0 DCADHL CCOC(=O)c1n[n-]c([C@@H](C)NCc2cc(C(=O)[O-])n[nH]2)n1 ZINC001573793903 1163555588 /nfs/dbraw/zinc/55/55/88/1163555588.db2.gz SGRUOWUTKHOPHA-ZCFIWIBFSA-N -2 3 308.298 0.254 20 0 DCADHL COc1ccc(C(=O)N[C@@H]2CN(C(=O)[O-])C[C@@H]2CO)c([O-])c1 ZINC001574022953 1163625124 /nfs/dbraw/zinc/62/51/24/1163625124.db2.gz FHCMKKWTDOIATO-LDYMZIIASA-N -2 3 310.306 0.101 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccnc(C(=O)[O-])n3)C2)n1 ZINC001574128497 1163644897 /nfs/dbraw/zinc/64/48/97/1163644897.db2.gz WECBGIOIAYKATC-VIFPVBQESA-N -2 3 316.321 0.092 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c1C(=O)[O-] ZINC001574181917 1163653494 /nfs/dbraw/zinc/65/34/94/1163653494.db2.gz FSEXFYYEVRTTNJ-MRVPVSSYSA-N -2 3 301.324 0.387 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCOC2)c1C(=O)[O-] ZINC001574181957 1163654228 /nfs/dbraw/zinc/65/42/28/1163654228.db2.gz GTLUCNXRVGFBAX-HTRCEHHLSA-N -2 3 303.340 0.120 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-][C@@H](C)C1(C(=O)[O-])CCOCC1 ZINC001574207232 1163663089 /nfs/dbraw/zinc/66/30/89/1163663089.db2.gz ZDOUMAOKGOTRBX-VIFPVBQESA-N -2 3 318.351 0.531 20 0 DCADHL O=C([O-])C1=CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574351847 1163701733 /nfs/dbraw/zinc/70/17/33/1163701733.db2.gz MTRXQEHPNXTDOA-VIFPVBQESA-N -2 3 300.278 0.165 20 0 DCADHL O=C([O-])C1=CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574351847 1163701736 /nfs/dbraw/zinc/70/17/36/1163701736.db2.gz MTRXQEHPNXTDOA-VIFPVBQESA-N -2 3 300.278 0.165 20 0 DCADHL O=C(Nc1cnn(CCF)c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001582651027 1166061109 /nfs/dbraw/zinc/06/11/09/1166061109.db2.gz RPHCIAQZFURCDV-UHFFFAOYSA-N -2 3 317.284 0.991 20 0 DCADHL C[C@@H](C(=O)Nc1cccc(F)c1[O-])n1cnc(-c2nnn[n-]2)n1 ZINC001589018575 1166628864 /nfs/dbraw/zinc/62/88/64/1166628864.db2.gz HYIGFPBYKGLLSV-LURJTMIESA-N -2 3 318.272 0.503 20 0 DCADHL C[C@@H](C(=O)Nc1cccc(F)c1[O-])n1cnc(-c2nn[n-]n2)n1 ZINC001589018575 1166628865 /nfs/dbraw/zinc/62/88/65/1166628865.db2.gz HYIGFPBYKGLLSV-LURJTMIESA-N -2 3 318.272 0.503 20 0 DCADHL CC(C)(C)C(=O)NCC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589080247 1166633877 /nfs/dbraw/zinc/63/38/77/1166633877.db2.gz LFCNCTXFNMVZBE-UHFFFAOYSA-N -2 3 318.337 0.439 20 0 DCADHL CC(C)(C)C(=O)NCC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589080247 1166633880 /nfs/dbraw/zinc/63/38/80/1166633880.db2.gz LFCNCTXFNMVZBE-UHFFFAOYSA-N -2 3 318.337 0.439 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCC(C)(C)O ZINC001590030880 1166757561 /nfs/dbraw/zinc/75/75/61/1166757561.db2.gz GGVSGXWOQLCFQK-SECBINFHSA-N -2 3 321.337 0.453 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCC(C)(C)O ZINC001590030880 1166757570 /nfs/dbraw/zinc/75/75/70/1166757570.db2.gz GGVSGXWOQLCFQK-SECBINFHSA-N -2 3 321.337 0.453 20 0 DCADHL CCO[C@@H]1[C@H](C)[C@@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590786731 1167019002 /nfs/dbraw/zinc/01/90/02/1167019002.db2.gz QBEJDSRQJWFWQG-JFUSQASVSA-N -2 3 303.322 0.948 20 0 DCADHL CCO[C@@H]1[C@H](C)[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590786731 1167019010 /nfs/dbraw/zinc/01/90/10/1167019010.db2.gz QBEJDSRQJWFWQG-JFUSQASVSA-N -2 3 303.322 0.948 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)no1 ZINC001592054243 1167447396 /nfs/dbraw/zinc/44/73/96/1167447396.db2.gz ZJKBQRXPTSVWFJ-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)no1 ZINC001592054243 1167447402 /nfs/dbraw/zinc/44/74/02/1167447402.db2.gz ZJKBQRXPTSVWFJ-UHFFFAOYSA-N -2 3 307.295 0.359 20 0 DCADHL Cc1ccc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)nc1 ZINC001592184820 1167473312 /nfs/dbraw/zinc/47/33/12/1167473312.db2.gz HLJZYSDWMGWXSM-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ccc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)nc1 ZINC001592184820 1167473316 /nfs/dbraw/zinc/47/33/16/1167473316.db2.gz HLJZYSDWMGWXSM-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]OCC1CC1 ZINC001592871432 1167653009 /nfs/dbraw/zinc/65/30/09/1167653009.db2.gz AADHWTKMBPYEQW-UHFFFAOYSA-N -2 3 316.321 0.054 20 0 DCADHL O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]OCC1CC1 ZINC001592871432 1167653012 /nfs/dbraw/zinc/65/30/12/1167653012.db2.gz AADHWTKMBPYEQW-UHFFFAOYSA-N -2 3 316.321 0.054 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC12CC2 ZINC001593173583 1167732350 /nfs/dbraw/zinc/73/23/50/1167732350.db2.gz VHDGUBSHRCRYCQ-JTQLQIEISA-N -2 3 319.346 0.472 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC12CC2 ZINC001593173583 1167732354 /nfs/dbraw/zinc/73/23/54/1167732354.db2.gz VHDGUBSHRCRYCQ-JTQLQIEISA-N -2 3 319.346 0.472 20 0 DCADHL O=S(=O)(Oc1ccc(-c2nnn[n-]2)c(F)c1)c1ncc[n-]1 ZINC001593449184 1167845941 /nfs/dbraw/zinc/84/59/41/1167845941.db2.gz UOLQSZWNJGOYJC-UHFFFAOYSA-N -2 3 310.270 0.497 20 0 DCADHL O=S(=O)(Oc1ccc(-c2nn[n-]n2)c(F)c1)c1ncc[n-]1 ZINC001593449184 1167845947 /nfs/dbraw/zinc/84/59/47/1167845947.db2.gz UOLQSZWNJGOYJC-UHFFFAOYSA-N -2 3 310.270 0.497 20 0 DCADHL CO[N-]C(=O)CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001598521435 1168023873 /nfs/dbraw/zinc/02/38/73/1168023873.db2.gz RKFNTKLVHBNXPL-UHFFFAOYSA-N -2 3 311.244 0.214 20 0 DCADHL COC(=O)C1([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCC1 ZINC001598725212 1168031203 /nfs/dbraw/zinc/03/12/03/1168031203.db2.gz VSHSUFGNOAGGTH-UHFFFAOYSA-N -2 3 317.319 0.660 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC2([S@@](C)=O)CC2)oc1C(=O)[O-] ZINC001600299563 1168161906 /nfs/dbraw/zinc/16/19/06/1168161906.db2.gz ZUONEJDULAFSKM-LJQANCHMSA-N -2 3 321.376 0.476 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cn1 ZINC001601549287 1168780386 /nfs/dbraw/zinc/78/03/86/1168780386.db2.gz FOEDDYOBVYJWHY-UHFFFAOYSA-N -2 3 315.211 0.847 20 0 DCADHL O=C([O-])C[C@@H](O)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001601911695 1168932023 /nfs/dbraw/zinc/93/20/23/1168932023.db2.gz XJUMBZLURYGRPB-SECBINFHSA-N -2 3 307.224 0.976 20 0 DCADHL O=C([O-])C[C@H]1CCCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001601949844 1168944805 /nfs/dbraw/zinc/94/48/05/1168944805.db2.gz SPFSUJDMFZLJTQ-GFCCVEGCSA-N -2 3 312.366 0.639 20 0 DCADHL O=C([O-])CCS(=O)(=O)[N-]c1cnn(Cc2ccccn2)c1 ZINC001602028827 1168971367 /nfs/dbraw/zinc/97/13/67/1168971367.db2.gz ONVUCKXWRILUGY-UHFFFAOYSA-N -2 3 310.335 0.543 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccco2)o1 ZINC001602400614 1169071874 /nfs/dbraw/zinc/07/18/74/1169071874.db2.gz ZJBDUIFKHNBKLA-ZETCQYMHSA-N -2 3 301.276 0.583 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])o1 ZINC001602398417 1169072031 /nfs/dbraw/zinc/07/20/31/1169072031.db2.gz CETQZOORXQXLBH-MRVPVSSYSA-N -3 3 317.319 0.757 20 0 DCADHL O=C([O-])c1cccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)n1 ZINC001602432467 1169077888 /nfs/dbraw/zinc/07/78/88/1169077888.db2.gz MDWJRJYHHSABDA-UHFFFAOYSA-N -2 3 300.274 0.474 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1cnc(Cl)cn1 ZINC001602488150 1169088956 /nfs/dbraw/zinc/08/89/56/1169088956.db2.gz KERITHINKKDQPZ-UHFFFAOYSA-N -2 3 317.710 0.900 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1 ZINC001602489200 1169091622 /nfs/dbraw/zinc/09/16/22/1169091622.db2.gz VZXQXJQLHDXZMW-BDAKNGLRSA-N -2 3 303.336 0.807 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2nccnc2Cl)c1 ZINC001602558694 1169117116 /nfs/dbraw/zinc/11/71/16/1169117116.db2.gz DHRZJFSZLMMEDT-UHFFFAOYSA-N -2 3 317.710 0.900 20 0 DCADHL O=C([O-])c1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1Cl ZINC001602650178 1169145081 /nfs/dbraw/zinc/14/50/81/1169145081.db2.gz CUOOJMFZVLXULP-UHFFFAOYSA-N -2 3 312.669 0.627 20 0 DCADHL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC001603591918 1169330982 /nfs/dbraw/zinc/33/09/82/1169330982.db2.gz OFFNVCBFESKCEG-GOSISDBHSA-N -2 3 314.429 0.970 20 0 DCADHL CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604546657 1169613833 /nfs/dbraw/zinc/61/38/33/1169613833.db2.gz BMSXIMQQEFPAJF-SSDOTTSWSA-N -2 3 303.292 0.208 20 0 DCADHL C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001604837566 1169703225 /nfs/dbraw/zinc/70/32/25/1169703225.db2.gz MKHBKRGJHMSGBM-WRWORJQWSA-N -2 3 323.330 0.908 20 0 DCADHL CN1C(=O)CCC[C@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001604839926 1169704374 /nfs/dbraw/zinc/70/43/74/1169704374.db2.gz TVADPTVPDMTGOQ-NSHDSACASA-N -2 3 316.321 0.288 20 0 DCADHL CN1C(=O)CCC[C@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001604839926 1169704383 /nfs/dbraw/zinc/70/43/83/1169704383.db2.gz TVADPTVPDMTGOQ-NSHDSACASA-N -2 3 316.321 0.288 20 0 DCADHL COC(=O)Cc1c(C)[n-]n(-c2cccc(-c3nn[n-]n3)c2)c1=O ZINC001604930990 1169750027 /nfs/dbraw/zinc/75/00/27/1169750027.db2.gz VSLBTFAFWJPAAO-NSHDSACASA-N -2 3 314.305 0.769 20 0 DCADHL CC[C@H](C)NC(=O)CN1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001604968186 1169767895 /nfs/dbraw/zinc/76/78/95/1169767895.db2.gz JNTZPBVITMUCGI-PAPNWUEJSA-N -2 3 312.366 0.399 20 0 DCADHL CO[C@H](CS(=O)(=O)[N-]c1ncccc1-c1nn[n-]n1)C1CC1 ZINC001605011169 1169778787 /nfs/dbraw/zinc/77/87/87/1169778787.db2.gz ALRYKMRCDCGHBE-SNVBAGLBSA-N -2 3 324.366 0.428 20 0 DCADHL COC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001605057879 1169799554 /nfs/dbraw/zinc/79/95/54/1169799554.db2.gz OWSBSPRGNQLAIW-SECBINFHSA-N -2 3 306.282 0.088 20 0 DCADHL COC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001605057879 1169799556 /nfs/dbraw/zinc/79/95/56/1169799556.db2.gz OWSBSPRGNQLAIW-SECBINFHSA-N -2 3 306.282 0.088 20 0 DCADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)c1 ZINC001605821839 1170008741 /nfs/dbraw/zinc/00/87/41/1170008741.db2.gz YCFOSQXASWEFPQ-RYUDHWBXSA-N -2 3 321.329 0.900 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2nnn[n-]2)cn1 ZINC001605882658 1170020844 /nfs/dbraw/zinc/02/08/44/1170020844.db2.gz ZKSCHNQMEBJKKE-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2nn[n-]n2)cn1 ZINC001605882658 1170020850 /nfs/dbraw/zinc/02/08/50/1170020850.db2.gz ZKSCHNQMEBJKKE-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001606862582 1170316625 /nfs/dbraw/zinc/31/66/25/1170316625.db2.gz DBRBSOVTDIMWES-UHFFFAOYSA-N -2 3 322.350 0.715 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001606862582 1170316633 /nfs/dbraw/zinc/31/66/33/1170316633.db2.gz DBRBSOVTDIMWES-UHFFFAOYSA-N -2 3 322.350 0.715 20 0 DCADHL O=C([N-]OCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC001606862589 1170316878 /nfs/dbraw/zinc/31/68/78/1170316878.db2.gz DQXDIOSUWFXHJI-UHFFFAOYSA-N -2 3 320.284 0.402 20 0 DCADHL O=C([N-]OCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001606862589 1170316884 /nfs/dbraw/zinc/31/68/84/1170316884.db2.gz DQXDIOSUWFXHJI-UHFFFAOYSA-N -2 3 320.284 0.402 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC2=CCCOC2)c1C(=O)[O-] ZINC001607940071 1170528552 /nfs/dbraw/zinc/52/85/52/1170528552.db2.gz LHMVCEFKIMVYGG-UHFFFAOYSA-N -2 3 301.324 0.041 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CC1 ZINC001608010335 1170548300 /nfs/dbraw/zinc/54/83/00/1170548300.db2.gz YZNQGLIWXJYYGY-SNVBAGLBSA-N -2 3 324.362 0.569 20 0 DCADHL Cn1ncc(CCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001608157895 1170600192 /nfs/dbraw/zinc/60/01/92/1170600192.db2.gz RGFWIROFDNYCLN-UHFFFAOYSA-N -2 3 314.323 0.017 20 0 DCADHL O=C([O-])C1(C(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC001608339012 1170654183 /nfs/dbraw/zinc/65/41/83/1170654183.db2.gz YECYECPUNUNVNJ-UHFFFAOYSA-N -2 3 321.285 0.099 20 0 DCADHL O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC001608606203 1170715379 /nfs/dbraw/zinc/71/53/79/1170715379.db2.gz SSYNCWDDEJMDBF-YUMQZZPRSA-N -2 3 309.274 0.029 20 0 DCADHL CC(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001609092438 1170807658 /nfs/dbraw/zinc/80/76/58/1170807658.db2.gz KJEHEBCLGFAEFO-UHFFFAOYSA-N -2 3 323.378 0.859 20 0 DCADHL CC(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001609092438 1170807665 /nfs/dbraw/zinc/80/76/65/1170807665.db2.gz KJEHEBCLGFAEFO-UHFFFAOYSA-N -2 3 323.378 0.859 20 0 DCADHL C[C@H](CN(C)c1nc2c(cc1-c1nnn[n-]1)CCC2)C(=O)[O-] ZINC001609111680 1170813364 /nfs/dbraw/zinc/81/33/64/1170813364.db2.gz CKOUIVYYQFUSNI-MRVPVSSYSA-N -2 3 302.338 0.907 20 0 DCADHL C[C@H](CN(C)c1nc2c(cc1-c1nn[n-]n1)CCC2)C(=O)[O-] ZINC001609111680 1170813367 /nfs/dbraw/zinc/81/33/67/1170813367.db2.gz CKOUIVYYQFUSNI-MRVPVSSYSA-N -2 3 302.338 0.907 20 0 DCADHL CC[C@H](C)CO[N-]C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001609184843 1170856179 /nfs/dbraw/zinc/85/61/79/1170856179.db2.gz RPZLXKZSMCLXKW-VIFPVBQESA-N -2 3 305.342 0.768 20 0 DCADHL CC[C@H](C)CO[N-]C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001609184843 1170856189 /nfs/dbraw/zinc/85/61/89/1170856189.db2.gz RPZLXKZSMCLXKW-VIFPVBQESA-N -2 3 305.342 0.768 20 0 DCADHL Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cccc1-c1nnn[n-]1 ZINC001609384849 1170956790 /nfs/dbraw/zinc/95/67/90/1170956790.db2.gz VLWSBPCBGAVHST-MNOVXSKESA-N -2 3 317.305 0.746 20 0 DCADHL Cc1c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cccc1-c1nn[n-]n1 ZINC001609384849 1170956797 /nfs/dbraw/zinc/95/67/97/1170956797.db2.gz VLWSBPCBGAVHST-MNOVXSKESA-N -2 3 317.305 0.746 20 0 DCADHL Cc1cccc([N-]S(=O)(=O)c2cnnn2C)c1-c1nn[n-]n1 ZINC001609433182 1170976047 /nfs/dbraw/zinc/97/60/47/1170976047.db2.gz OETZVIUBZIVKBK-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL Cn1ncc2c1nc(Oc1cccnc1-c1nnn[n-]1)[n-]c2=O ZINC001609482643 1170994596 /nfs/dbraw/zinc/99/45/96/1170994596.db2.gz LXXXGRDFWSGGFW-UHFFFAOYSA-N -2 3 311.265 0.436 20 0 DCADHL Cn1ncc2c1nc(Oc1cccnc1-c1nn[n-]n1)[n-]c2=O ZINC001609482643 1170994602 /nfs/dbraw/zinc/99/46/02/1170994602.db2.gz LXXXGRDFWSGGFW-UHFFFAOYSA-N -2 3 311.265 0.436 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1 ZINC001609624621 1171053325 /nfs/dbraw/zinc/05/33/25/1171053325.db2.gz HEHBJCCFJQRXJW-QWHCGFSZSA-N -2 3 322.317 0.401 20 0 DCADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001609836670 1171100326 /nfs/dbraw/zinc/10/03/26/1171100326.db2.gz YKZRGKXJIXSKCZ-CBAPKCEASA-N -2 3 302.286 0.505 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CC1 ZINC001610158003 1171182203 /nfs/dbraw/zinc/18/22/03/1171182203.db2.gz SIYSCXRERZBWID-ZCFIWIBFSA-N -2 3 320.348 0.071 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CCOCC2)o1 ZINC001610839389 1171337384 /nfs/dbraw/zinc/33/73/84/1171337384.db2.gz WVQOLFACTGWEKG-UHFFFAOYSA-N -2 3 319.335 0.045 20 0 DCADHL O=C([O-])c1cncc(C(=O)Nc2n[n-]c(SCCO)n2)c1 ZINC001610862509 1171344517 /nfs/dbraw/zinc/34/45/17/1171344517.db2.gz POZNRBKNOOSWJA-UHFFFAOYSA-N -2 3 309.307 0.235 20 0 DCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC001631085655 1171586810 /nfs/dbraw/zinc/58/68/10/1171586810.db2.gz YMPNFOBLNKPZHQ-UHFFFAOYSA-N -2 3 318.289 0.465 20 0 DCADHL O=C(Cn1c(=O)[n-][nH]c1=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001641686296 1171925294 /nfs/dbraw/zinc/92/52/94/1171925294.db2.gz IXKCGUXUFGCKDS-UHFFFAOYSA-N -2 3 316.277 0.219 20 0 DCADHL CN(C(=O)c1ccccc1[O-])C1CN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001042488429 751686174 /nfs/dbraw/zinc/68/61/74/751686174.db2.gz VRGPVHVVAYFANR-UHFFFAOYSA-N -2 3 303.322 0.172 20 0 DCADHL NCc1nc(=O)[n-]n1-c1ccc(Br)cc1C(=O)[O-] ZINC001168761101 754594981 /nfs/dbraw/zinc/59/49/81/754594981.db2.gz ZDKHCBXNYUYWMJ-UHFFFAOYSA-N -2 3 313.111 0.892 20 0 DCADHL O=C([N-]Cc1nc2c(c(=O)[n-]1)COCC2)C(F)(F)C(F)F ZINC001119112420 766543494 /nfs/dbraw/zinc/54/34/94/766543494.db2.gz XERJLAUBWTVBMV-UHFFFAOYSA-N -2 3 309.219 0.772 20 0 DCADHL Nc1n[nH]c2cc(C(=O)NCCCCP(=O)([O-])[O-])ccc12 ZINC001154178199 770101600 /nfs/dbraw/zinc/10/16/00/770101600.db2.gz WANXFXVRFVZOMP-UHFFFAOYSA-N -2 3 312.266 0.833 20 0 DCADHL COC[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1nnn[n-]1 ZINC001177828666 770549559 /nfs/dbraw/zinc/54/95/59/770549559.db2.gz PHRLKQBSSGNWST-JTQLQIEISA-N -2 3 305.294 0.144 20 0 DCADHL COC[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1nn[n-]n1 ZINC001177828666 770549562 /nfs/dbraw/zinc/54/95/62/770549562.db2.gz PHRLKQBSSGNWST-JTQLQIEISA-N -2 3 305.294 0.144 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H](CO)C2)c(F)cc1F ZINC001195246520 773355031 /nfs/dbraw/zinc/35/50/31/773355031.db2.gz HWFOOQPSNFVWLW-LJGSYFOKSA-N -2 3 321.301 0.712 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](CO)C2CCC2)oc1C(=O)[O-] ZINC001600297400 1168159692 /nfs/dbraw/zinc/15/96/92/1168159692.db2.gz QSQHEKUWRSVBNY-SECBINFHSA-N -2 3 303.336 0.726 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CCO[C@H]2CCOC2)oc1C(=O)[O-] ZINC001600300086 1168161123 /nfs/dbraw/zinc/16/11/23/1168161123.db2.gz YDYAHUSJNHMBLU-VIFPVBQESA-N -2 3 319.335 0.370 20 0 DCADHL Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c([O-])c1 ZINC001600335157 1168166907 /nfs/dbraw/zinc/16/69/07/1168166907.db2.gz WLLXSPPOCVCVBR-JTQLQIEISA-N -2 3 313.331 0.024 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-])c(F)c1F ZINC001600478804 1168189534 /nfs/dbraw/zinc/18/95/34/1168189534.db2.gz RIBIBQDBQQFQHG-JTQLQIEISA-N -2 3 323.317 0.776 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c1 ZINC001602556198 1169116465 /nfs/dbraw/zinc/11/64/65/1169116465.db2.gz CTHAHHVZYHXNGG-PSASIEDQSA-N -2 3 303.336 0.807 20 0 DCADHL C[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)C(=O)[O-])no2)c(C)o1 ZINC001610960484 970810041 /nfs/dbraw/zinc/81/00/41/970810041.db2.gz WFUHNBYVBPCGEL-RXMQYKEDSA-N -2 3 315.307 0.734 20 0 DCADHL COC(=O)CS(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001259025414 946900625 /nfs/dbraw/zinc/90/06/25/946900625.db2.gz UJJLDOHDGROPAA-UHFFFAOYSA-N -2 3 303.292 0.094 20 0 DCADHL O=[P@]([O-])(O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259081293 946911467 /nfs/dbraw/zinc/91/14/67/946911467.db2.gz LDJLWEDLWIOPFG-UHFFFAOYSA-N -2 3 319.197 0.560 20 0 DCADHL O=[P@@]([O-])(O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259081293 946911455 /nfs/dbraw/zinc/91/14/55/946911455.db2.gz LDJLWEDLWIOPFG-UHFFFAOYSA-N -2 3 319.197 0.560 20 0 DCADHL O=P([O-])([O-])CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259081293 946911493 /nfs/dbraw/zinc/91/14/93/946911493.db2.gz 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CC[C@H](C)NC(=O)CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001604968181 1169767661 /nfs/dbraw/zinc/76/76/61/1169767661.db2.gz JNTZPBVITMUCGI-BFVXHGPNSA-N -2 3 312.366 0.399 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)CCCCC(=O)[O-])C2)n1 ZINC001594269327 959784659 /nfs/dbraw/zinc/78/46/59/959784659.db2.gz LSYBLAMKVGDEGA-LLVKDONJSA-N -2 3 322.365 0.831 20 0 DCADHL O=C(CCCc1nnn[n-]1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001362741220 959919192 /nfs/dbraw/zinc/91/91/92/959919192.db2.gz IPTNKSBTKVOZRC-UHFFFAOYSA-N -2 3 317.353 0.602 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000228551103 960024779 /nfs/dbraw/zinc/02/47/79/960024779.db2.gz BFANTBXGOXJPFH-ZCFIWIBFSA-N -2 3 308.406 0.873 20 0 DCADHL O=C(c1ccc(Cl)cc1[O-])N1CCOC[C@H]1c1nnn[n-]1 ZINC001363203923 960598251 /nfs/dbraw/zinc/59/82/51/960598251.db2.gz MCQIXTONFWYUTN-VIFPVBQESA-N -2 3 309.713 0.772 20 0 DCADHL O=C(c1ccc(Cl)cc1[O-])N1CCOC[C@H]1c1nn[n-]n1 ZINC001363203923 960598268 /nfs/dbraw/zinc/59/82/68/960598268.db2.gz 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CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001571153528 961822858 /nfs/dbraw/zinc/82/28/58/961822858.db2.gz BDBYRGZBPCBUII-DDHJBXDOSA-N -2 3 321.395 0.353 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@H](C)NC(=O)[O-])C2)n1 ZINC001571158022 961886115 /nfs/dbraw/zinc/88/61/15/961886115.db2.gz FMESDGKFKFZYFO-VHSXEESVSA-N -2 3 323.353 0.232 20 0 DCADHL O=C([O-])C1(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)CCC1 ZINC001574641066 962352612 /nfs/dbraw/zinc/35/26/12/962352612.db2.gz MVTDIIRWLIJEHI-UHFFFAOYSA-N -2 3 301.306 0.984 20 0 DCADHL O=C([O-])C1(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)CCC1 ZINC001574641066 962352627 /nfs/dbraw/zinc/35/26/27/962352627.db2.gz MVTDIIRWLIJEHI-UHFFFAOYSA-N -2 3 301.306 0.984 20 0 DCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCOC)CC(=O)[O-])c1 ZINC001573329802 962814207 /nfs/dbraw/zinc/81/42/07/962814207.db2.gz NDKZJGQKUUYLKO-UHFFFAOYSA-N -2 3 322.317 0.690 20 0 DCADHL O=C([O-])COc1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001574737854 962864225 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C[C@](CO)(NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700758617 976969490 /nfs/dbraw/zinc/96/94/90/976969490.db2.gz UMZLSWWGGLLNLC-LLVKDONJSA-N -2 3 318.123 0.720 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1cncc(F)c1 ZINC000700802307 976977932 /nfs/dbraw/zinc/97/79/32/976977932.db2.gz MSLGNKIKMUJIKN-UHFFFAOYSA-N -2 3 317.323 0.854 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000705367527 977275784 /nfs/dbraw/zinc/27/57/84/977275784.db2.gz JIQPJFRLUWQMRZ-UHFFFAOYSA-N -2 3 306.365 0.281 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCc2ccns2)c1 ZINC000709882008 977472797 /nfs/dbraw/zinc/47/27/97/977472797.db2.gz PHBCFGWOVIPVKC-UHFFFAOYSA-N -2 3 302.333 0.955 20 0 DCADHL C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592452143 978142026 /nfs/dbraw/zinc/14/20/26/978142026.db2.gz JPHOYQKDDXCXPE-ZCFIWIBFSA-N -2 3 308.381 0.669 20 0 DCADHL C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592463942 978193608 /nfs/dbraw/zinc/19/36/08/978193608.db2.gz 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319.321 0.566 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000820536108 607106130 /nfs/dbraw/zinc/10/61/30/607106130.db2.gz RYAHYXJWFMCREG-DTWKUNHWSA-N -2 3 319.321 0.566 20 0 DCADHL C[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820536106 607106150 /nfs/dbraw/zinc/10/61/50/607106150.db2.gz RYAHYXJWFMCREG-BDAKNGLRSA-N -2 3 319.321 0.566 20 0 DCADHL C[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820536106 607106152 /nfs/dbraw/zinc/10/61/52/607106152.db2.gz RYAHYXJWFMCREG-BDAKNGLRSA-N -2 3 319.321 0.566 20 0 DCADHL CC(C)(CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000819980632 607109592 /nfs/dbraw/zinc/10/95/92/607109592.db2.gz FXQIUJRLGNCJKX-UHFFFAOYSA-N -2 3 319.321 0.473 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nncs1 ZINC000826280377 607880542 /nfs/dbraw/zinc/88/05/42/607880542.db2.gz ZLUMXUNSKOYXSR-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nncs1 ZINC000826280377 607880543 /nfs/dbraw/zinc/88/05/43/607880543.db2.gz ZLUMXUNSKOYXSR-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825028071 608038735 /nfs/dbraw/zinc/03/87/35/608038735.db2.gz DNLNWQRENQYSNK-OQFOIZHKSA-N -2 3 321.362 0.779 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825028071 608038736 /nfs/dbraw/zinc/03/87/36/608038736.db2.gz DNLNWQRENQYSNK-OQFOIZHKSA-N -2 3 321.362 0.779 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825028218 608039307 /nfs/dbraw/zinc/03/93/07/608039307.db2.gz GBXPKIGALLGDDE-XBXARRHUSA-N -2 3 321.362 0.946 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825028218 608039308 /nfs/dbraw/zinc/03/93/08/608039308.db2.gz GBXPKIGALLGDDE-XBXARRHUSA-N -2 3 321.362 0.946 20 0 DCADHL Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826322735 608057627 /nfs/dbraw/zinc/05/76/27/608057627.db2.gz ZULOOEKYVGPION-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826322735 608057628 /nfs/dbraw/zinc/05/76/28/608057628.db2.gz ZULOOEKYVGPION-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL CCc1[n-]n(C)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825176108 608493666 /nfs/dbraw/zinc/49/36/66/608493666.db2.gz GNKNJHMGEBAYCP-LLVKDONJSA-N -2 3 313.321 0.659 20 0 DCADHL CCc1[n-]n(C)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825176108 608493667 /nfs/dbraw/zinc/49/36/67/608493667.db2.gz GNKNJHMGEBAYCP-LLVKDONJSA-N -2 3 313.321 0.659 20 0 DCADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776612206 659489765 /nfs/dbraw/zinc/48/97/65/659489765.db2.gz AYMIHVVYYCOGKZ-VXNVDRBHSA-N -2 3 322.770 0.628 20 0 DCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000070776752 665921091 /nfs/dbraw/zinc/92/10/91/665921091.db2.gz LLBNFIAHHWDSPJ-UHFFFAOYSA-N -3 3 321.380 0.657 20 0 DCADHL C[C@@H](CN(C)C(=O)c1n[n-]c2ccccc2c1=O)c1nnn[n-]1 ZINC000736002019 667077484 /nfs/dbraw/zinc/07/74/84/667077484.db2.gz SUKBAKYKMMDDKU-QMMMGPOBSA-N -2 3 313.321 0.724 20 0 DCADHL C[C@@H](CN(C)C(=O)c1n[n-]c2ccccc2c1=O)c1nn[n-]n1 ZINC000736002019 667077488 /nfs/dbraw/zinc/07/74/88/667077488.db2.gz SUKBAKYKMMDDKU-QMMMGPOBSA-N -2 3 313.321 0.724 20 0 DCADHL CC[C@](C)(C[N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000776627646 668879484 /nfs/dbraw/zinc/87/94/84/668879484.db2.gz JPTSGIKSIMCQAV-SNVBAGLBSA-N -2 3 309.775 0.853 20 0 DCADHL Cc1cc(C#N)ccc1S(=O)(=O)[N-][N-]C(=O)NCC1CC1 ZINC000076936654 670299185 /nfs/dbraw/zinc/29/91/85/670299185.db2.gz CYTIKMKMQRBGPJ-UHFFFAOYSA-N -2 3 308.363 0.769 20 0 DCADHL Cc1[n-][nH]c(=O)c1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000854635145 670603233 /nfs/dbraw/zinc/60/32/33/670603233.db2.gz NKIMCXHUXQURLB-UHFFFAOYSA-N -2 3 316.321 0.970 20 0 DCADHL CCOCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852734365 671154225 /nfs/dbraw/zinc/15/42/25/671154225.db2.gz AGJBDZKWWAZJTC-IUCAKERBSA-N -2 3 312.288 0.619 20 0 DCADHL O=C([N-]S(=O)(=O)CCCF)c1ccc(-c2nnn[n-]2)cc1 ZINC000823285279 671383845 /nfs/dbraw/zinc/38/38/45/671383845.db2.gz OYBGGRKUTKVHTR-UHFFFAOYSA-N -2 3 313.314 0.286 20 0 DCADHL O=C([N-]S(=O)(=O)CCCF)c1ccc(-c2nn[n-]n2)cc1 ZINC000823285279 671383850 /nfs/dbraw/zinc/38/38/50/671383850.db2.gz OYBGGRKUTKVHTR-UHFFFAOYSA-N -2 3 313.314 0.286 20 0 DCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC(=O)[O-] ZINC000824731757 671438755 /nfs/dbraw/zinc/43/87/55/671438755.db2.gz YHKGUPAIOAJLJJ-VIFPVBQESA-N -2 3 319.321 0.567 20 0 DCADHL COCCS(=O)(=O)[N-]c1ccc(F)cc1-c1nn[n-]n1 ZINC000826163523 671481913 /nfs/dbraw/zinc/48/19/13/671481913.db2.gz YAMSJRPILFAPMB-UHFFFAOYSA-N -2 3 301.303 0.394 20 0 DCADHL COC(=O)C1(CS(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])CCCC1 ZINC000837295251 671855660 /nfs/dbraw/zinc/85/56/60/671855660.db2.gz SCFOOSGNTRLLCO-MRVPVSSYSA-N -2 3 311.331 0.062 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])nc1Cl ZINC000844821278 672205044 /nfs/dbraw/zinc/20/50/44/672205044.db2.gz NKNMGJCXUCACES-MRVPVSSYSA-N -2 3 321.786 0.853 20 0 DCADHL Cc1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c([O-])c1 ZINC000387809806 685253601 /nfs/dbraw/zinc/25/36/01/685253601.db2.gz QYPHNXVXQMFGHN-UHFFFAOYSA-N -2 3 302.290 0.687 20 0 DCADHL C[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccncc1 ZINC001573550872 1163482778 /nfs/dbraw/zinc/48/27/78/1163482778.db2.gz JHYXAKNCYJQXFF-MRVPVSSYSA-N -2 3 310.335 0.585 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@@H]2CCSC2)c1C(=O)[O-] ZINC001574183204 1163655433 /nfs/dbraw/zinc/65/54/33/1163655433.db2.gz ZUZHWDOZZMZRGW-MRVPVSSYSA-N -2 3 319.408 0.838 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(C)(C)CO)c1C(=O)[O-] ZINC001574182203 1163655530 /nfs/dbraw/zinc/65/55/30/1163655530.db2.gz JRZNHFFXDULMBG-UHFFFAOYSA-N -2 3 305.356 0.103 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@H]2CCCS2)c1C(=O)[O-] ZINC001574182373 1163655547 /nfs/dbraw/zinc/65/55/47/1163655547.db2.gz MTTFSRYKFVHVDG-MRVPVSSYSA-N -2 3 319.408 0.980 20 0 DCADHL O=C([O-])[C@@H](F)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574346224 1163700881 /nfs/dbraw/zinc/70/08/81/1163700881.db2.gz QJNMAYJHPISZIV-WPRPVWTQSA-N -2 3 320.284 0.147 20 0 DCADHL O=C([O-])[C@@H](F)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574346224 1163700886 /nfs/dbraw/zinc/70/08/86/1163700886.db2.gz QJNMAYJHPISZIV-WPRPVWTQSA-N -2 3 320.284 0.147 20 0 DCADHL O=C([O-])CC1([N-]S(=O)(=O)C[C@H]2CCC3(CCC3)O2)COC1 ZINC001574365360 1163707292 /nfs/dbraw/zinc/70/72/92/1163707292.db2.gz WCJVKFDLDWGECY-SNVBAGLBSA-N -2 3 319.379 0.251 20 0 DCADHL C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nn(C)cc1[O-] ZINC001575331161 1163977664 /nfs/dbraw/zinc/97/76/64/1163977664.db2.gz OURQLMHCZHEQFN-ZCFIWIBFSA-N -2 3 303.282 0.390 20 0 DCADHL C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nn(C)cc1[O-] ZINC001575331161 1163977670 /nfs/dbraw/zinc/97/76/70/1163977670.db2.gz OURQLMHCZHEQFN-ZCFIWIBFSA-N -2 3 303.282 0.390 20 0 DCADHL CC(=O)c1ccc(-c2nn[n-]n2)cc1NC[C@](C)(O)C(=O)[O-] ZINC001588909658 1166616366 /nfs/dbraw/zinc/61/63/66/1166616366.db2.gz HGDOFLMGJXYEPB-ZDUSSCGKSA-N -2 3 305.294 0.317 20 0 DCADHL CC(C)OCCO[N-]C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589748341 1166680248 /nfs/dbraw/zinc/68/02/48/1166680248.db2.gz CYEXNFGFZHNSGP-GFCCVEGCSA-N -2 3 321.337 0.373 20 0 DCADHL CC(C)OCCO[N-]C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589748341 1166680252 /nfs/dbraw/zinc/68/02/52/1166680252.db2.gz CYEXNFGFZHNSGP-GFCCVEGCSA-N -2 3 321.337 0.373 20 0 DCADHL C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(=O)[nH][n-]1 ZINC001590041240 1166759526 /nfs/dbraw/zinc/75/95/26/1166759526.db2.gz OOPINAXIPSOKPU-QMMMGPOBSA-N -2 3 313.321 0.262 20 0 DCADHL C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(=O)[nH][n-]1 ZINC001590041240 1166759534 /nfs/dbraw/zinc/75/95/34/1166759534.db2.gz OOPINAXIPSOKPU-QMMMGPOBSA-N -2 3 313.321 0.262 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590649040 1166959524 /nfs/dbraw/zinc/95/95/24/1166959524.db2.gz HQSMKRMGCQNZNN-UHFFFAOYSA-N -2 3 301.353 0.398 20 0 DCADHL CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001591127826 1167111613 /nfs/dbraw/zinc/11/16/13/1167111613.db2.gz DAGYVVZIZBIYDT-UHFFFAOYSA-N -2 3 319.350 0.640 20 0 DCADHL CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001591127826 1167111618 /nfs/dbraw/zinc/11/16/18/1167111618.db2.gz DAGYVVZIZBIYDT-UHFFFAOYSA-N -2 3 319.350 0.640 20 0 DCADHL COc1ccc(CN(C)Cc2n[n-]c(=O)o2)cc1-c1nnn[n-]1 ZINC001591587276 1167333262 /nfs/dbraw/zinc/33/32/62/1167333262.db2.gz BDUSUJCQZVEMMZ-UHFFFAOYSA-N -2 3 317.309 0.596 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)C(F)F)cccc1-c1nnn[n-]1 ZINC001591809411 1167385876 /nfs/dbraw/zinc/38/58/76/1167385876.db2.gz AIVLEGZLUIFJEC-UHFFFAOYSA-N -2 3 317.277 0.457 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)C(F)F)cccc1-c1nn[n-]n1 ZINC001591809411 1167385881 /nfs/dbraw/zinc/38/58/81/1167385881.db2.gz AIVLEGZLUIFJEC-UHFFFAOYSA-N -2 3 317.277 0.457 20 0 DCADHL Cc1cc(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592016725 1167434159 /nfs/dbraw/zinc/43/41/59/1167434159.db2.gz WXGKYBGEKHCUGK-BDAKNGLRSA-N -2 3 319.321 0.992 20 0 DCADHL Cc1cc(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592016725 1167434163 /nfs/dbraw/zinc/43/41/63/1167434163.db2.gz WXGKYBGEKHCUGK-BDAKNGLRSA-N -2 3 319.321 0.992 20 0 DCADHL Cc1nsc(NC(=O)NC[C@@H](C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592481321 1167534976 /nfs/dbraw/zinc/53/49/76/1167534976.db2.gz LPZFBQMLABJNPD-SCSAIBSYSA-N -2 3 311.327 0.474 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592813587 1167645270 /nfs/dbraw/zinc/64/52/70/1167645270.db2.gz KXOWWLSAGREKHJ-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592813587 1167645274 /nfs/dbraw/zinc/64/52/74/1167645274.db2.gz KXOWWLSAGREKHJ-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001593278752 1167755753 /nfs/dbraw/zinc/75/57/53/1167755753.db2.gz WQXQDPSSDIXVGO-UHFFFAOYSA-N -2 3 323.334 0.104 20 0 DCADHL O=C([O-])CN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001593278752 1167755759 /nfs/dbraw/zinc/75/57/59/1167755759.db2.gz WQXQDPSSDIXVGO-UHFFFAOYSA-N -2 3 323.334 0.104 20 0 DCADHL O=C([O-])CSCC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001593278673 1167756344 /nfs/dbraw/zinc/75/63/44/1167756344.db2.gz SOQCMQMSDASFKF-UHFFFAOYSA-N -2 3 319.346 0.527 20 0 DCADHL O=S(=O)([N-]c1ccc(F)nc1)c1cncc(-c2nnn[n-]2)c1 ZINC001593445537 1167845083 /nfs/dbraw/zinc/84/50/83/1167845083.db2.gz VIIVIDMHCWWPJO-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL O=S(=O)([N-]c1ccc(F)nc1)c1cncc(-c2nn[n-]n2)c1 ZINC001593445537 1167845091 /nfs/dbraw/zinc/84/50/91/1167845091.db2.gz VIIVIDMHCWWPJO-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL O=c1[n-]c(CNc2nc3ncccc3cc2-c2nnn[n-]2)n[nH]1 ZINC001593489576 1167872614 /nfs/dbraw/zinc/87/26/14/1167872614.db2.gz DPEDIYHLOSNALX-UHFFFAOYSA-N -2 3 310.281 0.246 20 0 DCADHL O=c1[n-]c(CNc2nc3ncccc3cc2-c2nn[n-]n2)n[nH]1 ZINC001593489576 1167872619 /nfs/dbraw/zinc/87/26/19/1167872619.db2.gz DPEDIYHLOSNALX-UHFFFAOYSA-N -2 3 310.281 0.246 20 0 DCADHL COC(=O)[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001598898303 1168060431 /nfs/dbraw/zinc/06/04/31/1168060431.db2.gz ZSUWPHSBDYXMGR-SFYZADRCSA-N -2 3 317.319 0.516 20 0 DCADHL Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])CO2 ZINC001600492108 1168191933 /nfs/dbraw/zinc/19/19/33/1168191933.db2.gz CNFLNBNGHBFCQH-SNVBAGLBSA-N -2 3 323.330 0.828 20 0 DCADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001600809589 1168339271 /nfs/dbraw/zinc/33/92/71/1168339271.db2.gz XMMXFDAZMRJWDK-UHFFFAOYSA-N -2 3 314.323 0.500 20 0 DCADHL O=C([O-])C1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CC(CO)C1 ZINC001601428511 1168744097 /nfs/dbraw/zinc/74/40/97/1168744097.db2.gz XLWOJTMPRCWPCJ-UHFFFAOYSA-N -2 3 307.306 0.015 20 0 DCADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)[n-]cn1)Oc1ccc(F)cc1 ZINC001601467713 1168755952 /nfs/dbraw/zinc/75/59/52/1168755952.db2.gz JWNCUUYDNKEIKL-NSHDSACASA-N -2 3 321.264 0.583 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001601570737 1168786093 /nfs/dbraw/zinc/78/60/93/1168786093.db2.gz ULNGCXFQDAFSRE-APPZFPTMSA-N -2 3 302.294 0.245 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001601570737 1168786102 /nfs/dbraw/zinc/78/61/02/1168786102.db2.gz ULNGCXFQDAFSRE-APPZFPTMSA-N -2 3 302.294 0.245 20 0 DCADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)[C@@H]1CCOC1 ZINC001601650764 1168802845 /nfs/dbraw/zinc/80/28/45/1168802845.db2.gz FPQBMFHEHXGKFQ-RNFRBKRXSA-N -2 3 323.758 0.079 20 0 DCADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2F)CCOC1 ZINC001601937483 1168940674 /nfs/dbraw/zinc/94/06/74/1168940674.db2.gz WLVHGRDMCDBPPL-LBPRGKRZSA-N -2 3 321.301 0.877 20 0 DCADHL O=C([O-])COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001602076904 1168988650 /nfs/dbraw/zinc/98/86/50/1168988650.db2.gz CYONJLQKNKHOFZ-UHFFFAOYSA-N -2 3 313.740 0.308 20 0 DCADHL O=C([O-])Cc1occc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001602156571 1169004805 /nfs/dbraw/zinc/00/48/05/1169004805.db2.gz IXBFKARASOZYCI-UHFFFAOYSA-N -2 3 303.274 0.601 20 0 DCADHL 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/nfs/dbraw/zinc/91/76/56/1157917656.db2.gz LGBHWVRCLACURO-LLVKDONJSA-N -2 3 303.340 0.345 20 0 DCADHL CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573686415 1163536124 /nfs/dbraw/zinc/53/61/24/1163536124.db2.gz NRALPORZXAEDOV-HTRCEHHLSA-N -2 3 305.356 0.244 20 0 DCADHL CO[C@]12CCC[C@@]1([N-]S(=O)(=O)CCCC(=O)[O-])CCO2 ZINC001574009825 1163622881 /nfs/dbraw/zinc/62/28/81/1163622881.db2.gz CXPSRBFKSWMODP-NEPJUHHUSA-N -2 3 307.368 0.456 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C2)n1 ZINC001574674924 1163740888 /nfs/dbraw/zinc/74/08/88/1163740888.db2.gz WMSCGYDZJRSGCH-VHSXEESVSA-N -2 3 308.338 0.296 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001582558467 1166045449 /nfs/dbraw/zinc/04/54/49/1166045449.db2.gz YPKFUQWDBDFVCC-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001582558467 1166045453 /nfs/dbraw/zinc/04/54/53/1166045453.db2.gz YPKFUQWDBDFVCC-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1cnccn1 ZINC001589002869 1166626119 /nfs/dbraw/zinc/62/61/19/1166626119.db2.gz FDCFURNOQODHNX-SECBINFHSA-N -2 3 311.305 0.870 20 0 DCADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1cnccn1 ZINC001589002869 1166626123 /nfs/dbraw/zinc/62/61/23/1166626123.db2.gz FDCFURNOQODHNX-SECBINFHSA-N -2 3 311.305 0.870 20 0 DCADHL CC(C)(C)S(=O)(=O)[N-]C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589207658 1166639806 /nfs/dbraw/zinc/63/98/06/1166639806.db2.gz HIOUJMQOCQQALF-UHFFFAOYSA-N -2 3 315.380 0.786 20 0 DCADHL CC(F)(F)C[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589908212 1166715929 /nfs/dbraw/zinc/71/59/29/1166715929.db2.gz KYWZLEYHLNBEIP-UHFFFAOYSA-N -2 3 321.284 0.939 20 0 DCADHL C[C@@](O)(CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001589989693 1166738870 /nfs/dbraw/zinc/73/88/70/1166738870.db2.gz HODGZIRGUDQECZ-CQSZACIVSA-N -2 3 303.322 0.828 20 0 DCADHL C[C@@](O)(CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001589989693 1166738877 /nfs/dbraw/zinc/73/88/77/1166738877.db2.gz HODGZIRGUDQECZ-CQSZACIVSA-N -2 3 303.322 0.828 20 0 DCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)c(N)n1 ZINC001590226773 1166820557 /nfs/dbraw/zinc/82/05/57/1166820557.db2.gz SUHYAMXIUUCFKY-JGVFFNPUSA-N -2 3 303.326 0.533 20 0 DCADHL CCO[C@H]1[C@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590786733 1167019071 /nfs/dbraw/zinc/01/90/71/1167019071.db2.gz QBEJDSRQJWFWQG-XXILOJSOSA-N -2 3 303.322 0.948 20 0 DCADHL CCO[C@H]1[C@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590786733 1167019076 /nfs/dbraw/zinc/01/90/76/1167019076.db2.gz QBEJDSRQJWFWQG-XXILOJSOSA-N -2 3 303.322 0.948 20 0 DCADHL COc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591509512 1167316908 /nfs/dbraw/zinc/31/69/08/1167316908.db2.gz AQHUPVFUQPFJKI-QMMMGPOBSA-N -2 3 319.321 0.668 20 0 DCADHL COc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591509512 1167316912 /nfs/dbraw/zinc/31/69/12/1167316912.db2.gz AQHUPVFUQPFJKI-QMMMGPOBSA-N -2 3 319.321 0.668 20 0 DCADHL Cc1ccc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc1-c1nnn[n-]1 ZINC001592177451 1167471326 /nfs/dbraw/zinc/47/13/26/1167471326.db2.gz VXRHBDRTGUYLFF-YMTOWFKASA-N -2 3 316.321 0.108 20 0 DCADHL Cc1nnc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1C ZINC001592449429 1167526770 /nfs/dbraw/zinc/52/67/70/1167526770.db2.gz PDQVAWXEKJKZHE-DTWKUNHWSA-N -2 3 303.326 0.939 20 0 DCADHL Cc1nnc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1C ZINC001592449429 1167526779 /nfs/dbraw/zinc/52/67/79/1167526779.db2.gz PDQVAWXEKJKZHE-DTWKUNHWSA-N -2 3 303.326 0.939 20 0 DCADHL O=C(CNc1ccc(-c2nnn[n-]2)cn1)[N-]OC/C=C\Cl ZINC001592879228 1167655197 /nfs/dbraw/zinc/65/51/97/1167655197.db2.gz JCXIKRAUCSUNLT-RJRFIUFISA-N -2 3 309.717 0.474 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)[N-]OC/C=C\Cl ZINC001592879228 1167655199 /nfs/dbraw/zinc/65/51/99/1167655199.db2.gz JCXIKRAUCSUNLT-RJRFIUFISA-N -2 3 309.717 0.474 20 0 DCADHL O=C([O-])[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001593275555 1167751271 /nfs/dbraw/zinc/75/12/71/1167751271.db2.gz GADVADHZTYJEOS-NSHDSACASA-N -2 3 318.337 0.801 20 0 DCADHL O=C([O-])[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001593275555 1167751276 /nfs/dbraw/zinc/75/12/76/1167751276.db2.gz GADVADHZTYJEOS-NSHDSACASA-N -2 3 318.337 0.801 20 0 DCADHL O=C([O-])CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)cnn2)C1 ZINC001593278005 1167752780 /nfs/dbraw/zinc/75/27/80/1167752780.db2.gz MPFHIBJCZITZOV-VIFPVBQESA-N -2 3 303.326 0.738 20 0 DCADHL O=C([O-])CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)cnn2)C1 ZINC001593278005 1167752785 /nfs/dbraw/zinc/75/27/85/1167752785.db2.gz MPFHIBJCZITZOV-VIFPVBQESA-N -2 3 303.326 0.738 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCNC(=O)CC2)oc1C(=O)[O-] ZINC001600299308 1168159817 /nfs/dbraw/zinc/15/98/17/1168159817.db2.gz VZNZMMCRAPEYGU-QMMMGPOBSA-N -2 3 316.335 0.233 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCOC2)oc1C(=O)[O-] ZINC001600298542 1168160087 /nfs/dbraw/zinc/16/00/87/1168160087.db2.gz HQEJMTKUHJLGAF-SECBINFHSA-N -2 3 303.336 0.991 20 0 DCADHL Cc1coc(CC(=O)[O-])c1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001600641247 1168225766 /nfs/dbraw/zinc/22/57/66/1168225766.db2.gz UJCPWYHTHQFCAB-UHFFFAOYSA-N -2 3 317.301 0.909 20 0 DCADHL Cc1nc(-c2nnc(N3CC[C@H](C(=O)[O-])C3)n2C)cc(=O)[n-]1 ZINC001600681420 1168247815 /nfs/dbraw/zinc/24/78/15/1168247815.db2.gz NQULPXYSGZWZHF-QMMMGPOBSA-N -2 3 304.310 0.197 20 0 DCADHL Cc1nc(CS(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)no1 ZINC001600704403 1168257903 /nfs/dbraw/zinc/25/79/03/1168257903.db2.gz MIYUZKAJLBLTIL-SECBINFHSA-N -2 3 317.348 0.685 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](C)/C=C\C(=O)[O-] ZINC001600790563 1168296661 /nfs/dbraw/zinc/29/66/61/1168296661.db2.gz LFHCCYDUCHBEFY-PULIVWKDSA-N -2 3 310.335 0.345 20 0 DCADHL O=C(C=Cc1cc(C(=O)[O-])co1)NCCCc1c[n-][nH]c1=O ZINC001601232060 1168670914 /nfs/dbraw/zinc/67/09/14/1168670914.db2.gz BIPGNAIUBGLRJV-NWALNABHSA-N -2 3 305.290 0.619 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)[n-]cn1)Cc1cccc(F)c1 ZINC001601463432 1168755732 /nfs/dbraw/zinc/75/57/32/1168755732.db2.gz ZYQJRCPDPXTFGQ-SNVBAGLBSA-N -2 3 319.292 0.995 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H](O)c1cncs1 ZINC001602489105 1169090641 /nfs/dbraw/zinc/09/06/41/1169090641.db2.gz RUUYHVUWLSHYNE-ZETCQYMHSA-N -2 3 318.332 0.446 20 0 DCADHL O=C([O-])c1nccc(NCCCNC(=O)c2ccccc2[O-])n1 ZINC001602573892 1169122075 /nfs/dbraw/zinc/12/20/75/1169122075.db2.gz VNDQWUOGKCPPQW-UHFFFAOYSA-N -2 3 316.317 0.534 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](NC=C2C(=O)[N-]C(=O)c3ccccc32)[C@H]2C[C@H]21 ZINC001602656246 1169149319 /nfs/dbraw/zinc/14/93/19/1169149319.db2.gz LPJBBFYBECGTCF-GCPOIEFISA-N -2 3 312.325 0.996 20 0 DCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001603844175 1169409549 /nfs/dbraw/zinc/40/95/49/1169409549.db2.gz BIWAPUHOBIPXPX-JGVFFNPUSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001603844175 1169409556 /nfs/dbraw/zinc/40/95/56/1169409556.db2.gz BIWAPUHOBIPXPX-JGVFFNPUSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001603864986 1169416700 /nfs/dbraw/zinc/41/67/00/1169416700.db2.gz NEKZQUJSFBOOQY-GZMMTYOYSA-N -2 3 321.362 0.469 20 0 DCADHL C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001603864986 1169416702 /nfs/dbraw/zinc/41/67/02/1169416702.db2.gz NEKZQUJSFBOOQY-GZMMTYOYSA-N -2 3 321.362 0.469 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603995451 1169468714 /nfs/dbraw/zinc/46/87/14/1169468714.db2.gz NBJVEWCXYDAVPX-QMMMGPOBSA-N -2 3 309.351 0.718 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603995451 1169468716 /nfs/dbraw/zinc/46/87/16/1169468716.db2.gz NBJVEWCXYDAVPX-QMMMGPOBSA-N -2 3 309.351 0.718 20 0 DCADHL C[C@](CC(=O)[O-])(NC(=O)c1c[n-]ncc1=O)c1cccnc1 ZINC001604087346 1169489817 /nfs/dbraw/zinc/48/98/17/1169489817.db2.gz AVTRZBNJVNYKMN-CQSZACIVSA-N -2 3 302.290 0.697 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001604230645 1169530105 /nfs/dbraw/zinc/53/01/05/1169530105.db2.gz ZGRHZHQBPBHOLJ-UHFFFAOYSA-N -2 3 324.728 0.916 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001604230645 1169530112 /nfs/dbraw/zinc/53/01/12/1169530112.db2.gz ZGRHZHQBPBHOLJ-UHFFFAOYSA-N -2 3 324.728 0.916 20 0 DCADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001605005486 1169777202 /nfs/dbraw/zinc/77/72/02/1169777202.db2.gz KVZBGPHQEUUWRH-ZETCQYMHSA-N -2 3 315.330 0.782 20 0 DCADHL COCCN(CCC(=O)[O-])c1cc(-c2nnn[n-]2)cc(C)n1 ZINC001605096462 1169823655 /nfs/dbraw/zinc/82/36/55/1169823655.db2.gz OSGNCWUQBVVLED-UHFFFAOYSA-N -2 3 306.326 0.498 20 0 DCADHL COCCN(CCC(=O)[O-])c1cc(-c2nn[n-]n2)cc(C)n1 ZINC001605096462 1169823666 /nfs/dbraw/zinc/82/36/66/1169823666.db2.gz OSGNCWUQBVVLED-UHFFFAOYSA-N -2 3 306.326 0.498 20 0 DCADHL CCCC[C@@H](SCc1cc(=O)n2nc(N)[n-]c2n1)C(=O)[O-] ZINC001605250048 1169881616 /nfs/dbraw/zinc/88/16/16/1169881616.db2.gz JOYVMGZMKOHKIT-MRVPVSSYSA-N -2 3 311.367 0.876 20 0 DCADHL CSCCO[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001605374568 1169908198 /nfs/dbraw/zinc/90/81/98/1169908198.db2.gz HKRLUGWRVGKCND-UHFFFAOYSA-N -2 3 309.351 0.656 20 0 DCADHL CSCCO[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001605374568 1169908201 /nfs/dbraw/zinc/90/82/01/1169908201.db2.gz HKRLUGWRVGKCND-UHFFFAOYSA-N -2 3 309.351 0.656 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c1-c1nnn[n-]1 ZINC001605959010 1170037391 /nfs/dbraw/zinc/03/73/91/1170037391.db2.gz STLXWFCAQKKDSF-IWSPIJDZSA-N -2 3 304.310 0.206 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c1-c1nn[n-]n1 ZINC001605959010 1170037399 /nfs/dbraw/zinc/03/73/99/1170037399.db2.gz STLXWFCAQKKDSF-IWSPIJDZSA-N -2 3 304.310 0.206 20 0 DCADHL Cc1nnc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)s1 ZINC001606124176 1170084278 /nfs/dbraw/zinc/08/42/78/1170084278.db2.gz KNHGSOCLTLDMHH-UHFFFAOYSA-N -2 3 324.351 0.222 20 0 DCADHL Cc1nnc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)s1 ZINC001606124176 1170084282 /nfs/dbraw/zinc/08/42/82/1170084282.db2.gz KNHGSOCLTLDMHH-UHFFFAOYSA-N -2 3 324.351 0.222 20 0 DCADHL COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC001606318589 1170157700 /nfs/dbraw/zinc/15/77/00/1170157700.db2.gz ONYNYASLGBXYPX-SNVBAGLBSA-N -2 3 311.331 0.204 20 0 DCADHL COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(O)cc1[O-] ZINC001606371649 1170172591 /nfs/dbraw/zinc/17/25/91/1170172591.db2.gz DXZJRAHSRVKNKZ-LDYMZIIASA-N -2 3 323.301 0.576 20 0 DCADHL O=C([O-])CCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001606958066 1170338618 /nfs/dbraw/zinc/33/86/18/1170338618.db2.gz PTXRDAXPYFSSAJ-UHFFFAOYSA-N -2 3 304.310 0.531 20 0 DCADHL O=C([O-])CCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001606958066 1170338624 /nfs/dbraw/zinc/33/86/24/1170338624.db2.gz PTXRDAXPYFSSAJ-UHFFFAOYSA-N -2 3 304.310 0.531 20 0 DCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001606960027 1170339795 /nfs/dbraw/zinc/33/97/95/1170339795.db2.gz OOHUJBVCSCVNPV-XRNSZHNASA-N -2 3 300.322 0.951 20 0 DCADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1c1ccc(-c2nn[n-]n2)nc1 ZINC001606960027 1170339801 /nfs/dbraw/zinc/33/98/01/1170339801.db2.gz OOHUJBVCSCVNPV-XRNSZHNASA-N -2 3 300.322 0.951 20 0 DCADHL COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)C(=O)[O-])c1 ZINC001607328871 1170429486 /nfs/dbraw/zinc/42/94/86/1170429486.db2.gz DKHXKTXTVVGNTK-IJSAXESFSA-N -2 3 314.315 0.388 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC(=O)OC(C)(C)C)oc1C(=O)[O-] ZINC001607706626 1170498960 /nfs/dbraw/zinc/49/89/60/1170498960.db2.gz XXMNEXYWYROEKA-UHFFFAOYSA-N -2 3 319.335 0.906 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)c1C(=O)[O-] ZINC001607939936 1170528796 /nfs/dbraw/zinc/52/87/96/1170528796.db2.gz IAFYCQZRQQCIGB-APPZFPTMSA-N -2 3 317.367 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)COCC2CC2)c1C(=O)[O-] ZINC001607940260 1170529227 /nfs/dbraw/zinc/52/92/27/1170529227.db2.gz OCYIWKGGBBBWBW-ZETCQYMHSA-N -2 3 317.367 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ccncc2)c1C(=O)[O-] ZINC001607938230 1170529716 /nfs/dbraw/zinc/52/97/16/1170529716.db2.gz NEVQUEZFIFDTMT-UHFFFAOYSA-N -2 3 310.335 0.332 20 0 DCADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)Cc1noc2c1CCCC2 ZINC001608532728 1170697209 /nfs/dbraw/zinc/69/72/09/1170697209.db2.gz HQWRETHOTHSHAD-MRVPVSSYSA-N -2 3 306.315 0.396 20 0 DCADHL O=C([O-])C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC001608700047 1170739472 /nfs/dbraw/zinc/73/94/72/1170739472.db2.gz VLWBXCRVVJJVIN-SECBINFHSA-N -2 3 307.306 0.375 20 0 DCADHL O=C([O-])C[C@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CCO1 ZINC001608700048 1170739628 /nfs/dbraw/zinc/73/96/28/1170739628.db2.gz VLWBXCRVVJJVIN-VIFPVBQESA-N -2 3 307.306 0.375 20 0 DCADHL O=C([O-])c1ccc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)nc1 ZINC001608890715 1170768986 /nfs/dbraw/zinc/76/89/86/1170768986.db2.gz ANSVSDJJBDPMCJ-UHFFFAOYSA-N -2 3 308.319 0.749 20 0 DCADHL O=C([O-])c1ccc(CS(=O)(=O)c2nnc(C3CC3)[n-]2)nc1 ZINC001608890715 1170768988 /nfs/dbraw/zinc/76/89/88/1170768988.db2.gz ANSVSDJJBDPMCJ-UHFFFAOYSA-N -2 3 308.319 0.749 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC001608965383 1170777390 /nfs/dbraw/zinc/77/73/90/1170777390.db2.gz NYARHNLLLVFDOR-LLVKDONJSA-N -2 3 322.346 0.933 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC001608990950 1170781647 /nfs/dbraw/zinc/78/16/47/1170781647.db2.gz WUARSLOISYOMBZ-WCQYABFASA-N -2 3 323.326 0.914 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1COC[C@@H]1C1CC1 ZINC001609003575 1170784518 /nfs/dbraw/zinc/78/45/18/1170784518.db2.gz RQSFEEYEEOFDRK-SFYZADRCSA-N -2 3 318.376 0.545 20 0 DCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)ncc1-c1nnn[n-]1 ZINC001609395359 1170965897 /nfs/dbraw/zinc/96/58/97/1170965897.db2.gz ATFQOCZYXJBQHC-UHFFFAOYSA-N -2 3 322.350 0.040 20 0 DCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)ncc1-c1nn[n-]n1 ZINC001609395359 1170965904 /nfs/dbraw/zinc/96/59/04/1170965904.db2.gz ATFQOCZYXJBQHC-UHFFFAOYSA-N -2 3 322.350 0.040 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC001609416547 1170972158 /nfs/dbraw/zinc/97/21/58/1170972158.db2.gz SJEJFMUFHCHUSA-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1csc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c1-c1nnn[n-]1 ZINC001609443832 1170979448 /nfs/dbraw/zinc/97/94/48/1170979448.db2.gz WXLNEVZBZNWERC-BQBZGAKWSA-N -2 3 323.334 0.807 20 0 DCADHL Cc1csc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c1-c1nn[n-]n1 ZINC001609443832 1170979453 /nfs/dbraw/zinc/97/94/53/1170979453.db2.gz WXLNEVZBZNWERC-BQBZGAKWSA-N -2 3 323.334 0.807 20 0 DCADHL Cc1nc(N(C)Cc2n[n-]c(=O)o2)c(Cl)cc1-c1nnn[n-]1 ZINC001609450746 1170982779 /nfs/dbraw/zinc/98/27/79/1170982779.db2.gz TXUOYZHKYPIIBD-UHFFFAOYSA-N -2 3 322.716 0.949 20 0 DCADHL Cc1nc(N(C)Cc2n[n-]c(=O)o2)c(Cl)cc1-c1nn[n-]n1 ZINC001609450746 1170982782 /nfs/dbraw/zinc/98/27/82/1170982782.db2.gz TXUOYZHKYPIIBD-UHFFFAOYSA-N -2 3 322.716 0.949 20 0 DCADHL Cn1nccc1[C@@H](NCc1cc(-c2nn[n-]n2)cs1)C(=O)[O-] ZINC001609482898 1170993408 /nfs/dbraw/zinc/99/34/08/1170993408.db2.gz YMMYAKIEAFJAAH-SNVBAGLBSA-N -2 3 319.350 0.577 20 0 DCADHL O=C(Nc1ccnc2ccnn21)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609569055 1171022874 /nfs/dbraw/zinc/02/28/74/1171022874.db2.gz KRPBVWXMUQWMIQ-UHFFFAOYSA-N -2 3 322.288 0.867 20 0 DCADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)OCCCO1 ZINC001609819777 1171095128 /nfs/dbraw/zinc/09/51/28/1171095128.db2.gz AFZURKPATDFCLL-UHFFFAOYSA-N -2 3 305.308 0.409 20 0 DCADHL C[C@@H]1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001609858391 1171105429 /nfs/dbraw/zinc/10/54/29/1171105429.db2.gz KTYFODSDMRTVQW-SECBINFHSA-N -2 3 302.352 0.598 20 0 DCADHL C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609878894 1171114697 /nfs/dbraw/zinc/11/46/97/1171114697.db2.gz SRHQHXXNCOTDNV-YUMQZZPRSA-N -2 3 320.392 0.792 20 0 DCADHL CC[C@H](C)[C@H](NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC001609898136 1171118537 /nfs/dbraw/zinc/11/85/37/1171118537.db2.gz DIPQCTAFGQBEDZ-NURSFMCSSA-N -2 3 300.355 0.399 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)N2CC(C)(C(=O)[O-])C2)c([O-])c1 ZINC001610484579 1171242314 /nfs/dbraw/zinc/24/23/14/1171242314.db2.gz MGFFYKXLHOVYJK-UHFFFAOYSA-N -2 3 320.345 0.754 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ncccc2F)o1 ZINC001610839890 1171337521 /nfs/dbraw/zinc/33/75/21/1171337521.db2.gz IHGNABCIRXBERS-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL CC(C)Cn1[n-]c(CC(=O)NCCCc2c[n-][nH]c2=O)cc1=O ZINC001634143987 1171663540 /nfs/dbraw/zinc/66/35/40/1171663540.db2.gz WQQLJCYTNQJIHH-NSHDSACASA-N -2 3 321.381 0.003 20 0 DCADHL COc1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)nc1Cl ZINC001642460440 1171946921 /nfs/dbraw/zinc/94/69/21/1171946921.db2.gz ZCIRVLXCTZGLSV-UHFFFAOYSA-N -2 3 310.697 0.875 20 0 DCADHL O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CCNC2(CC2)C1 ZINC001161557194 748444829 /nfs/dbraw/zinc/44/48/29/748444829.db2.gz DGRGUOKYQVSRDJ-UHFFFAOYSA-N -2 3 312.347 0.217 20 0 DCADHL C[C@@]1(NC(=O)c2ccccc2[O-])CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001046150448 753509949 /nfs/dbraw/zinc/50/99/49/753509949.db2.gz WHNLBPOULRDVQT-OAHLLOKOSA-N -2 3 317.349 0.610 20 0 DCADHL CN1CC2(C1)CN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001148925962 768061414 /nfs/dbraw/zinc/06/14/14/768061414.db2.gz FQPGKTNQHBBSJB-UHFFFAOYSA-N -2 3 312.347 0.027 20 0 DCADHL COc1ccc(F)c(C(=O)NCCCCP(=O)([O-])[O-])n1 ZINC001147776985 767845183 /nfs/dbraw/zinc/84/51/83/767845183.db2.gz LCFHXEIDCJQIFH-UHFFFAOYSA-N -2 3 306.230 0.917 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2[nH][nH]c(=O)c2c1 ZINC001154213612 770112138 /nfs/dbraw/zinc/11/21/38/770112138.db2.gz VTTRYAJRTXELEY-UHFFFAOYSA-N -2 3 313.250 0.956 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC001185555814 771927942 /nfs/dbraw/zinc/92/79/42/771927942.db2.gz IOWXUWXGSMIWER-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC001185555814 771927946 /nfs/dbraw/zinc/92/79/46/771927946.db2.gz IOWXUWXGSMIWER-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)Cc2cc(F)ccc2F)S1 ZINC001189699363 772519586 /nfs/dbraw/zinc/51/95/86/772519586.db2.gz 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O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]CC1OCCCO1 ZINC001601811105 1168902668 /nfs/dbraw/zinc/90/26/68/1168902668.db2.gz NGNWBVBOCWUCKS-NXEZZACHSA-N -2 3 307.368 0.312 20 0 DCADHL O=C([O-])C[C@]1([N-]C(=O)C(F)(F)c2nccs2)CCOC1 ZINC001601925705 1168936553 /nfs/dbraw/zinc/93/65/53/1168936553.db2.gz RIODCYZNHJKSPQ-SNVBAGLBSA-N -2 3 306.290 0.985 20 0 DCADHL O=S(=O)([O-])C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259471679 946961502 /nfs/dbraw/zinc/96/15/02/946961502.db2.gz MQUMJFFWCSPJHX-UHFFFAOYSA-N -2 3 303.720 0.603 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)Nc2cnc[n-]c2=O)ccc1O ZINC001260393186 947098123 /nfs/dbraw/zinc/09/81/23/947098123.db2.gz BHONGPLMAZQLBH-UHFFFAOYSA-N -2 3 311.275 0.387 20 0 DCADHL CC(C)n1[nH]cnc1=NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001574473233 949564189 /nfs/dbraw/zinc/56/41/89/949564189.db2.gz YXOFWINRQQUYFK-UHFFFAOYSA-N -2 3 314.309 0.419 20 0 DCADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)CC(F)(F)C1 ZINC001604580681 1169621996 /nfs/dbraw/zinc/62/19/96/1169621996.db2.gz 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0.284 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-])nc1Cl ZINC000831014390 605183513 /nfs/dbraw/zinc/18/35/13/605183513.db2.gz TWTZZYKEVTVGFV-UHFFFAOYSA-N -2 3 310.763 0.398 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CC2)nc1Cl ZINC000831013941 605184441 /nfs/dbraw/zinc/18/44/41/605184441.db2.gz GKXDFSAEINSRJT-ZETCQYMHSA-N -2 3 322.774 0.398 20 0 DCADHL Cn1cc(S(=O)(=O)[N-][C@H](CNC(=O)[O-])C2CC2)nc1Cl ZINC000831013940 605184532 /nfs/dbraw/zinc/18/45/32/605184532.db2.gz GKXDFSAEINSRJT-SSDOTTSWSA-N -2 3 322.774 0.398 20 0 DCADHL C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1[O-])[C@@H]1CN(C)CCO1 ZINC000825464969 605296756 /nfs/dbraw/zinc/29/67/56/605296756.db2.gz HARYGKHNGKSMDB-RNCFNFMXSA-N -2 3 323.349 0.931 20 0 DCADHL O=C([O-])N1CC[C@H](CNC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000834291364 606072052 /nfs/dbraw/zinc/07/20/52/606072052.db2.gz YFFXKOWXCOXTKQ-GARZTLJTSA-N -2 3 315.329 0.887 20 0 DCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000822623206 606711347 /nfs/dbraw/zinc/71/13/47/606711347.db2.gz RHHNPSPEJHSDAQ-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL COCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821691391 606884822 /nfs/dbraw/zinc/88/48/22/606884822.db2.gz SIBZMFSSPBRXAT-UHFFFAOYSA-N -2 3 319.293 0.070 20 0 DCADHL C[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)[O-] ZINC000820259883 607109931 /nfs/dbraw/zinc/10/99/31/607109931.db2.gz BXBCVJBEVPNOBC-BDAKNGLRSA-N -2 3 319.321 0.471 20 0 DCADHL C[C@H](CNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)[O-] ZINC000820259883 607109932 /nfs/dbraw/zinc/10/99/32/607109932.db2.gz BXBCVJBEVPNOBC-BDAKNGLRSA-N -2 3 319.321 0.471 20 0 DCADHL C[C@H](CCC(=O)[O-])NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824402312 609258984 /nfs/dbraw/zinc/25/89/84/609258984.db2.gz VPMLYIZFWBQURV-SECBINFHSA-N -2 3 319.321 0.615 20 0 DCADHL O=S(=O)([N-]c1ccncc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493113 609339012 /nfs/dbraw/zinc/33/90/12/609339012.db2.gz UKEDINMURPXAJG-UHFFFAOYSA-N -2 3 321.297 0.019 20 0 DCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)C2CCCC2)o1 ZINC000025854249 659512731 /nfs/dbraw/zinc/51/27/31/659512731.db2.gz CIWQAJJUDZADJA-UHFFFAOYSA-N -2 3 315.351 0.139 20 0 DCADHL O=C([O-])c1csc(S(=O)(=O)[N-]N=c2nccc[nH]2)c1 ZINC000912984198 664251491 /nfs/dbraw/zinc/25/14/91/664251491.db2.gz REZXJDBZKGZFTN-UHFFFAOYSA-N -2 3 300.321 0.542 20 0 DCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1c([O-])cccc1F ZINC000743415859 667808205 /nfs/dbraw/zinc/80/82/05/667808205.db2.gz MITCZUMUPDMOAW-UHFFFAOYSA-N -2 3 303.253 0.555 20 0 DCADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000787936257 669413942 /nfs/dbraw/zinc/41/39/42/669413942.db2.gz SIVFFSQKHVSCAR-SNVBAGLBSA-N -2 3 321.301 0.984 20 0 DCADHL C[C@@H](CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000824420635 671430209 /nfs/dbraw/zinc/43/02/09/671430209.db2.gz MZZSMQCUXZAHSJ-IUCAKERBSA-N -2 3 319.321 0.471 20 0 DCADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]Cc1cc(C(=O)[O-])no1 ZINC001573947752 1163596456 /nfs/dbraw/zinc/59/64/56/1163596456.db2.gz CNGGDCUJEXQSTB-JTQLQIEISA-N -2 3 320.367 0.853 20 0 DCADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])[C@H](O)c1cccnc1 ZINC001574308425 1163692664 /nfs/dbraw/zinc/69/26/64/1163692664.db2.gz KTLDRCSKQLNHBE-QWHCGFSZSA-N -2 3 302.286 0.704 20 0 DCADHL O=C([O-])CN1CCCN(C(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC001574372481 1163707746 /nfs/dbraw/zinc/70/77/46/1163707746.db2.gz STDPKQQWGFKWQE-UHFFFAOYSA-N -2 3 319.770 0.735 20 0 DCADHL C[C@@H](NC(=O)c1cnccc1-c1nnn[n-]1)c1nn(C)cc1[O-] ZINC001575350617 1163984677 /nfs/dbraw/zinc/98/46/77/1163984677.db2.gz KFEVHEXPULFQIV-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@@H](NC(=O)c1cnccc1-c1nn[n-]n1)c1nn(C)cc1[O-] ZINC001575350617 1163984679 /nfs/dbraw/zinc/98/46/79/1163984679.db2.gz KFEVHEXPULFQIV-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)c1n[nH]c(=O)[n-]1 ZINC001579234320 1165247147 /nfs/dbraw/zinc/24/71/47/1165247147.db2.gz AXAXFRLLFAPRSX-UHFFFAOYSA-N -2 3 314.309 0.005 20 0 DCADHL CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)c1n[nH]c(=O)[n-]1 ZINC001579234320 1165247153 /nfs/dbraw/zinc/24/71/53/1165247153.db2.gz AXAXFRLLFAPRSX-UHFFFAOYSA-N -2 3 314.309 0.005 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1cnccn1 ZINC001589002870 1166625804 /nfs/dbraw/zinc/62/58/04/1166625804.db2.gz FDCFURNOQODHNX-VIFPVBQESA-N -2 3 311.305 0.870 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1cnccn1 ZINC001589002870 1166625813 /nfs/dbraw/zinc/62/58/13/1166625813.db2.gz FDCFURNOQODHNX-VIFPVBQESA-N -2 3 311.305 0.870 20 0 DCADHL CC(C)[C@H](CO)O[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001589459757 1166658831 /nfs/dbraw/zinc/65/88/31/1166658831.db2.gz JVSMQVZFAYXIKY-LBPRGKRZSA-N -2 3 321.337 0.310 20 0 DCADHL CC(C)[C@H](CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589446025 1166659658 /nfs/dbraw/zinc/65/96/58/1166659658.db2.gz AFCJQSJGKAUGCV-LBPRGKRZSA-N -2 3 317.349 0.882 20 0 DCADHL C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C)C(=O)[O-] ZINC001589924153 1166720734 /nfs/dbraw/zinc/72/07/34/1166720734.db2.gz SHBJYKULQHPRAT-IUCAKERBSA-N -2 3 319.321 0.471 20 0 DCADHL C[C@@](O)(CNc1nc2c(cc1-c1nnn[n-]1)CCCC2)C(=O)[O-] ZINC001589991481 1166738585 /nfs/dbraw/zinc/73/85/85/1166738585.db2.gz QXXGUQHPNIDUPI-CQSZACIVSA-N -2 3 318.337 0.388 20 0 DCADHL C[C@@](O)(CNc1nc2c(cc1-c1nn[n-]n1)CCCC2)C(=O)[O-] ZINC001589991481 1166738593 /nfs/dbraw/zinc/73/85/93/1166738593.db2.gz QXXGUQHPNIDUPI-CQSZACIVSA-N -2 3 318.337 0.388 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001591151849 1167116839 /nfs/dbraw/zinc/11/68/39/1167116839.db2.gz HZECZUBELULTJU-UHFFFAOYSA-N -2 3 305.273 0.726 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001591151849 1167116843 /nfs/dbraw/zinc/11/68/43/1167116843.db2.gz HZECZUBELULTJU-UHFFFAOYSA-N -2 3 305.273 0.726 20 0 DCADHL Cc1cnc(SCc2ncc(-c3nnn[n-]3)cn2)[n-]c1=O ZINC001592295307 1167485641 /nfs/dbraw/zinc/48/56/41/1167485641.db2.gz XEHSYOICLXIIRS-UHFFFAOYSA-N -2 3 302.323 0.753 20 0 DCADHL Cn1[n-]c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cc1=O ZINC001592593327 1167577282 /nfs/dbraw/zinc/57/72/82/1167577282.db2.gz OAZBUEJCXLQERN-UHFFFAOYSA-N -2 3 315.297 0.159 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001592813472 1167644830 /nfs/dbraw/zinc/64/48/30/1167644830.db2.gz IWKQZSMSUSCIBH-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001592813472 1167644836 /nfs/dbraw/zinc/64/48/36/1167644836.db2.gz IWKQZSMSUSCIBH-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001593169244 1167728482 /nfs/dbraw/zinc/72/84/82/1167728482.db2.gz NCSMUXOSIZVIAF-UHFFFAOYSA-N -2 3 317.309 0.048 20 0 DCADHL O=C([N-]OCCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001593169244 1167728488 /nfs/dbraw/zinc/72/84/88/1167728488.db2.gz NCSMUXOSIZVIAF-UHFFFAOYSA-N -2 3 317.309 0.048 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593153116 1167728688 /nfs/dbraw/zinc/72/86/88/1167728688.db2.gz ZBMCZUVYZCGXIR-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593153116 1167728699 /nfs/dbraw/zinc/72/86/99/1167728699.db2.gz ZBMCZUVYZCGXIR-UHFFFAOYSA-N -2 3 319.260 0.151 20 0 DCADHL O=C([O-])CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)cnn2)C1 ZINC001593278004 1167752028 /nfs/dbraw/zinc/75/20/28/1167752028.db2.gz MPFHIBJCZITZOV-SECBINFHSA-N -2 3 303.326 0.738 20 0 DCADHL O=C([O-])CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)cnn2)C1 ZINC001593278004 1167752037 /nfs/dbraw/zinc/75/20/37/1167752037.db2.gz MPFHIBJCZITZOV-SECBINFHSA-N -2 3 303.326 0.738 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001593279048 1167753944 /nfs/dbraw/zinc/75/39/44/1167753944.db2.gz OGECDUPNMWCJSS-WPRPVWTQSA-N -2 3 320.284 0.896 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001593279048 1167753948 /nfs/dbraw/zinc/75/39/48/1167753948.db2.gz OGECDUPNMWCJSS-WPRPVWTQSA-N -2 3 320.284 0.896 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])oc1C(=O)[O-] ZINC001600296472 1168158217 /nfs/dbraw/zinc/15/82/17/1168158217.db2.gz CMHHYPQFFJGEOQ-RQJHMYQMSA-N -3 3 305.308 0.674 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@]2(C)CCCO2)c1C(=O)[O-] ZINC001600672898 1168244872 /nfs/dbraw/zinc/24/48/72/1168244872.db2.gz KFRXRBXSXWEDBI-NSHDSACASA-N -2 3 303.340 0.264 20 0 DCADHL Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC001600733691 1168265604 /nfs/dbraw/zinc/26/56/04/1168265604.db2.gz WGKLUUJKTLJYEQ-ZYHUDNBSSA-N -2 3 323.349 0.277 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CC[C@H]2CCOC2)cc1C(=O)[O-] ZINC001600858265 1168488823 /nfs/dbraw/zinc/48/88/23/1168488823.db2.gz SQVGOWBBOUYHCY-VIFPVBQESA-N -2 3 303.336 0.991 20 0 DCADHL O=C([O-])[C@H](O)C1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001601683475 1168815584 /nfs/dbraw/zinc/81/55/84/1168815584.db2.gz ARSOPRKGCSOCEW-GFCCVEGCSA-N -2 3 321.333 0.357 20 0 DCADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCCc2c[n-][nH]c2=O)O1 ZINC001602035664 1168972570 /nfs/dbraw/zinc/97/25/70/1168972570.db2.gz QAJFKGCZVZHLGP-GARJFASQSA-N -2 3 311.338 0.027 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1 ZINC001602489201 1169091034 /nfs/dbraw/zinc/09/10/34/1169091034.db2.gz VZXQXJQLHDXZMW-DTWKUNHWSA-N -2 3 303.336 0.807 20 0 DCADHL C[C@@H](CNC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001603521429 1169316838 /nfs/dbraw/zinc/31/68/38/1169316838.db2.gz VNZWJYHAVXOPSN-VIFPVBQESA-N -2 3 317.349 0.981 20 0 DCADHL CC(C)c1nc(C[N-]S(=O)(=O)c2occc2C(=O)[O-])n[nH]1 ZINC001604020849 1169472760 /nfs/dbraw/zinc/47/27/60/1169472760.db2.gz AIRVQIHBAMPNNJ-UHFFFAOYSA-N -2 3 314.323 0.698 20 0 DCADHL CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604923676 1169745858 /nfs/dbraw/zinc/74/58/58/1169745858.db2.gz OEPVVADDLIDGOX-RDDDGLTNSA-N -2 3 322.408 0.917 20 0 DCADHL CC[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)OC ZINC001605041961 1169791544 /nfs/dbraw/zinc/79/15/44/1169791544.db2.gz VQVGKPJUQHMMPZ-ZETCQYMHSA-N -2 3 305.308 0.455 20 0 DCADHL COCCN(CC(=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001605095066 1169822590 /nfs/dbraw/zinc/82/25/90/1169822590.db2.gz TWXFUGHXSSEBTR-UHFFFAOYSA-N -2 3 320.309 0.432 20 0 DCADHL COCCN(CC(=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001605095066 1169822599 /nfs/dbraw/zinc/82/25/99/1169822599.db2.gz TWXFUGHXSSEBTR-UHFFFAOYSA-N -2 3 320.309 0.432 20 0 DCADHL CO[N-]C(=O)CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001605144114 1169845970 /nfs/dbraw/zinc/84/59/70/1169845970.db2.gz PICVDOBILNNUJL-UHFFFAOYSA-N -2 3 305.342 0.649 20 0 DCADHL CO[N-]C(=O)CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001605144114 1169845978 /nfs/dbraw/zinc/84/59/78/1169845978.db2.gz PICVDOBILNNUJL-UHFFFAOYSA-N -2 3 305.342 0.649 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)CC(C)C)cccc1-c1nnn[n-]1 ZINC001605479532 1169935120 /nfs/dbraw/zinc/93/51/20/1169935120.db2.gz BFJCPTSSZMLTBW-UHFFFAOYSA-N -2 3 323.378 0.891 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)CC(C)C)cccc1-c1nn[n-]n1 ZINC001605479532 1169935125 /nfs/dbraw/zinc/93/51/25/1169935125.db2.gz BFJCPTSSZMLTBW-UHFFFAOYSA-N -2 3 323.378 0.891 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC001605546314 1169955839 /nfs/dbraw/zinc/95/58/39/1169955839.db2.gz NCPGSOALWCMFMD-NSCUHMNNSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC001605546314 1169955845 /nfs/dbraw/zinc/95/58/45/1169955845.db2.gz NCPGSOALWCMFMD-NSCUHMNNSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c(=O)[nH]1 ZINC001605875624 1170020264 /nfs/dbraw/zinc/02/02/64/1170020264.db2.gz SMKIDAIPCHBGEU-UHFFFAOYSA-N -2 3 322.306 0.670 20 0 DCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c(=O)[nH]1 ZINC001605875624 1170020271 /nfs/dbraw/zinc/02/02/71/1170020271.db2.gz SMKIDAIPCHBGEU-UHFFFAOYSA-N -2 3 322.306 0.670 20 0 DCADHL Cc1nnc(N2CCC[C@@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1C ZINC001606121270 1170083842 /nfs/dbraw/zinc/08/38/42/1170083842.db2.gz TZUXTTWBGXJBSS-SECBINFHSA-N -2 3 303.326 0.575 20 0 DCADHL Cc1nnc(N2CCC[C@@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1C ZINC001606121270 1170083846 /nfs/dbraw/zinc/08/38/46/1170083846.db2.gz TZUXTTWBGXJBSS-SECBINFHSA-N -2 3 303.326 0.575 20 0 DCADHL CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606262074 1170139842 /nfs/dbraw/zinc/13/98/42/1170139842.db2.gz MNYAMYBGFROHEG-RKDXNWHRSA-N -2 3 316.335 0.171 20 0 DCADHL COC(=O)c1cc(C(=O)O[C@H](C)c2cn(CC(=O)[O-])nn2)c[n-]1 ZINC001606538017 1170230447 /nfs/dbraw/zinc/23/04/47/1170230447.db2.gz XQSHQJMVXNTFIB-SSDOTTSWSA-N -2 3 322.277 0.395 20 0 DCADHL O=C(Cn1cc(Cl)cn1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606615993 1170243168 /nfs/dbraw/zinc/24/31/68/1170243168.db2.gz GPPZLFAYGYEHTO-UHFFFAOYSA-N -2 3 319.712 0.827 20 0 DCADHL O=C(Cn1cc(Cl)cn1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606615993 1170243172 /nfs/dbraw/zinc/24/31/72/1170243172.db2.gz GPPZLFAYGYEHTO-UHFFFAOYSA-N -2 3 319.712 0.827 20 0 DCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001606960024 1170340212 /nfs/dbraw/zinc/34/02/12/1170340212.db2.gz OOHUJBVCSCVNPV-QRTLGDNMSA-N -2 3 300.322 0.951 20 0 DCADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1c1ccc(-c2nn[n-]n2)nc1 ZINC001606960024 1170340218 /nfs/dbraw/zinc/34/02/18/1170340218.db2.gz OOHUJBVCSCVNPV-QRTLGDNMSA-N -2 3 300.322 0.951 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001607088166 1170386504 /nfs/dbraw/zinc/38/65/04/1170386504.db2.gz GQJKUJAZSMOFTR-ZETCQYMHSA-N -2 3 315.297 0.129 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001607088166 1170386511 /nfs/dbraw/zinc/38/65/11/1170386511.db2.gz GQJKUJAZSMOFTR-ZETCQYMHSA-N -2 3 315.297 0.129 20 0 DCADHL COc1ccccc1C[C@H](CNC(=O)c1cn[n-]n1)C(=O)[O-] ZINC001607342719 1170431014 /nfs/dbraw/zinc/43/10/14/1170431014.db2.gz GDWDZOCNWQAKSC-SNVBAGLBSA-N -2 3 304.306 0.487 20 0 DCADHL COc1ccccc1C[C@@H](CNC(=O)c1cn[n-]n1)C(=O)[O-] ZINC001607342718 1170431523 /nfs/dbraw/zinc/43/15/23/1170431523.db2.gz GDWDZOCNWQAKSC-JTQLQIEISA-N -2 3 304.306 0.487 20 0 DCADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001607445520 1170455868 /nfs/dbraw/zinc/45/58/68/1170455868.db2.gz HXHAEJMPWBRULB-ZYHUDNBSSA-N -2 3 320.345 0.834 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCCn2cncn2)cc1C(=O)[O-] ZINC001608056078 1170561206 /nfs/dbraw/zinc/56/12/06/1170561206.db2.gz KHLFCBYNSIAYOM-UHFFFAOYSA-N -2 3 314.323 0.246 20 0 DCADHL O=C([O-])c1cn(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)nn1 ZINC001608376984 1170663307 /nfs/dbraw/zinc/66/33/07/1170663307.db2.gz ZRPNKPNVHXGUMK-UHFFFAOYSA-N -2 3 302.250 0.197 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)o1 ZINC001608911226 1170770834 /nfs/dbraw/zinc/77/08/34/1170770834.db2.gz BYZNRBABENBFRG-RKDXNWHRSA-N -2 3 301.320 0.560 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)o1 ZINC001608911268 1170771042 /nfs/dbraw/zinc/77/10/42/1170771042.db2.gz DVKOEBHXJIQMDK-UHFFFAOYSA-N -3 3 317.319 0.900 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCc1ccns1 ZINC001608956110 1170775351 /nfs/dbraw/zinc/77/53/51/1170775351.db2.gz FIWPHPUJVRMDOV-UHFFFAOYSA-N -2 3 302.333 0.955 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC001608990490 1170781683 /nfs/dbraw/zinc/78/16/83/1170781683.db2.gz ARXCMUBNAJBBPE-DGCLKSJQSA-N -2 3 323.326 0.914 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609085721 1170803651 /nfs/dbraw/zinc/80/36/51/1170803651.db2.gz MUFDJFVWHDTCQB-UHFFFAOYSA-N -2 3 321.362 0.779 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609085721 1170803658 /nfs/dbraw/zinc/80/36/58/1170803658.db2.gz MUFDJFVWHDTCQB-UHFFFAOYSA-N -2 3 321.362 0.779 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)O[C@H](C)C(=O)[O-] ZINC001609415909 1170972062 /nfs/dbraw/zinc/97/20/62/1170972062.db2.gz REGSARUFENXKLQ-DTWKUNHWSA-N -2 3 319.321 0.992 20 0 DCADHL Cn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccccc1F ZINC001609482300 1170994081 /nfs/dbraw/zinc/99/40/81/1170994081.db2.gz SNRGTHKWJYMSCP-UHFFFAOYSA-N -2 3 323.313 0.540 20 0 DCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001609560018 1171020834 /nfs/dbraw/zinc/02/08/34/1171020834.db2.gz QDQSCBHWIGSRRK-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001609560018 1171020836 /nfs/dbraw/zinc/02/08/36/1171020836.db2.gz QDQSCBHWIGSRRK-UHFFFAOYSA-N -2 3 321.362 0.613 20 0 DCADHL O=S(=O)([N-]c1ccc(F)cn1)c1cncc(-c2nnn[n-]2)c1 ZINC001609596224 1171038434 /nfs/dbraw/zinc/03/84/34/1171038434.db2.gz QSGQVIMRSBFVDZ-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL O=S(=O)([N-]c1ccc(F)cn1)c1cncc(-c2nn[n-]n2)c1 ZINC001609596224 1171038441 /nfs/dbraw/zinc/03/84/41/1171038441.db2.gz QSGQVIMRSBFVDZ-UHFFFAOYSA-N -2 3 321.297 0.597 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1 ZINC001609624542 1171053518 /nfs/dbraw/zinc/05/35/18/1171053518.db2.gz HEHBJCCFJQRXJW-CHWSQXEVSA-N -2 3 322.317 0.401 20 0 DCADHL CC(C)C[C@H](NC(=O)CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC001609702327 1171070707 /nfs/dbraw/zinc/07/07/07/1171070707.db2.gz YZGBEJBATOLULB-VIFPVBQESA-N -2 3 324.333 0.443 20 0 DCADHL CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609708913 1171072185 /nfs/dbraw/zinc/07/21/85/1171072185.db2.gz KRWPGKFZRHWTFF-UHFFFAOYSA-N -2 3 319.335 0.988 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC ZINC001609935114 1171123436 /nfs/dbraw/zinc/12/34/36/1171123436.db2.gz XQSNOHYEGADQFJ-MRVPVSSYSA-N -2 3 305.308 0.516 20 0 DCADHL CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001610014846 1171139858 /nfs/dbraw/zinc/13/98/58/1171139858.db2.gz SOHQGHDSLYNQKA-MRVPVSSYSA-N -2 3 319.335 0.845 20 0 DCADHL CO[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])OCO3)[C@H](C(=O)[O-])C1 ZINC001610238389 1171203453 /nfs/dbraw/zinc/20/34/53/1171203453.db2.gz VXRYHEUIEBTYAM-SCZZXKLOSA-N -2 3 323.301 0.825 20 0 DCADHL COCC[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCOC1 ZINC001610255698 1171210242 /nfs/dbraw/zinc/21/02/42/1171210242.db2.gz CLPBRZVNGRJBFO-GFCCVEGCSA-N -2 3 319.335 0.452 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccn(C)n2)s1 ZINC001610565212 1171256092 /nfs/dbraw/zinc/25/60/92/1171256092.db2.gz ODJCXMXIGHXUJN-VIFPVBQESA-N -2 3 316.364 0.289 20 0 DCADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCc3c(=O)[n-]cnc3C2)C1 ZINC001610740315 1171306476 /nfs/dbraw/zinc/30/64/76/1171306476.db2.gz TUUVFTPDLFWWLY-NXEZZACHSA-N -2 3 305.334 0.958 20 0 DCADHL O=C([O-])Cc1nc([N-]C(=O)c2n[nH]nc2-c2ccccc2)n[nH]1 ZINC001610798677 1171327346 /nfs/dbraw/zinc/32/73/46/1171327346.db2.gz NPRBHCSZVSKOLS-UHFFFAOYSA-N -2 3 313.277 0.469 20 0 DCADHL CCC(CC)(NC(=O)C(=O)c1ccc([O-])cc1)c1nnn[n-]1 ZINC001635937343 1171718616 /nfs/dbraw/zinc/71/86/16/1171718616.db2.gz PIIXYAQQJVZPQC-UHFFFAOYSA-N -2 3 303.322 0.920 20 0 DCADHL CCC(CC)(NC(=O)C(=O)c1ccc([O-])cc1)c1nn[n-]n1 ZINC001635937343 1171718623 /nfs/dbraw/zinc/71/86/23/1171718623.db2.gz PIIXYAQQJVZPQC-UHFFFAOYSA-N -2 3 303.322 0.920 20 0 DCADHL C[C@@H](CN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nnn[n-]1 ZINC001771764441 1190493593 /nfs/dbraw/zinc/49/35/93/1190493593.db2.gz JKFZYIVPLPQMQA-ZETCQYMHSA-N -2 3 303.326 0.448 20 0 DCADHL O=C(CNc1ccc(O)cc1)NCCCCP(=O)([O-])[O-] ZINC001144577344 766969870 /nfs/dbraw/zinc/96/98/70/766969870.db2.gz OPLUEMGLISNKEV-UHFFFAOYSA-N -2 3 302.267 0.878 20 0 DCADHL O=c1nc2cn[n-]c2c(OC[C@H]2COc3cscc3O2)[n-]1 ZINC001233943498 769504936 /nfs/dbraw/zinc/50/49/36/769504936.db2.gz JHDDKWHWSXNKLG-ZCFIWIBFSA-N -2 3 306.303 0.927 20 0 DCADHL O=C(N=c1ncnc2[nH][nH]cc1-2)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152670768 769621327 /nfs/dbraw/zinc/62/13/27/769621327.db2.gz ZUXICNCOXGYDRA-UHFFFAOYSA-N -2 3 322.284 0.938 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc2c1CC(=O)N2 ZINC001153335268 769789871 /nfs/dbraw/zinc/78/98/71/769789871.db2.gz KHCPPYARXCUGQM-UHFFFAOYSA-N -2 3 312.262 0.869 20 0 DCADHL CC1(C)CCc2c(n[nH]c2C(=O)NCCOP(=O)([O-])[O-])C1 ZINC001154509329 770202293 /nfs/dbraw/zinc/20/22/93/770202293.db2.gz SZCDPHOBRMKBGY-UHFFFAOYSA-N -2 3 317.282 0.764 20 0 DCADHL Cc1nc2c(C(=O)NCCCCP(=O)([O-])[O-])c[nH]n2n1 ZINC001154668383 770261673 /nfs/dbraw/zinc/26/16/73/770261673.db2.gz VNYQRYGXLDOVSV-UHFFFAOYSA-N -2 3 301.243 0.054 20 0 DCADHL Cc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)o1 ZINC001185935322 771972929 /nfs/dbraw/zinc/97/29/29/771972929.db2.gz WARSIGRUWBRGIN-UHFFFAOYSA-N -2 3 311.319 0.863 20 0 DCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001160379003 772030276 /nfs/dbraw/zinc/03/02/76/772030276.db2.gz LCTPTMAOOQUJNE-UHFFFAOYSA-N -2 3 323.330 0.934 20 0 DCADHL COC(=O)c1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1 ZINC001187805911 772228317 /nfs/dbraw/zinc/22/83/17/772228317.db2.gz OMSGNHDNCYAPMS-UHFFFAOYSA-N -2 3 302.223 0.772 20 0 DCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189478644 772478921 /nfs/dbraw/zinc/47/89/21/772478921.db2.gz WIORRKNRMPDZAG-UHFFFAOYSA-N -2 3 321.301 0.818 20 0 DCADHL COC(=O)c1ccc([O-])c(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001192395408 772917687 /nfs/dbraw/zinc/91/76/87/772917687.db2.gz GNXUITFIXPLGCJ-SNVBAGLBSA-N -2 3 319.317 0.421 20 0 DCADHL CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195187120 773337770 /nfs/dbraw/zinc/33/77/70/773337770.db2.gz OUNWHYVKAAOHEL-LURJTMIESA-N -2 3 309.290 0.712 20 0 DCADHL CC(C)(CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195186420 773337793 /nfs/dbraw/zinc/33/77/93/773337793.db2.gz HVJHYKLQJOHOCP-UHFFFAOYSA-N -2 3 309.290 0.712 20 0 DCADHL CN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195186703 773337974 /nfs/dbraw/zinc/33/79/74/773337974.db2.gz LQDVLVAMKRHWNX-UHFFFAOYSA-N -2 3 322.289 0.030 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2COC(=O)C2)c(F)cc1F ZINC001195253724 773356151 /nfs/dbraw/zinc/35/61/51/773356151.db2.gz AWWYDGMJLOYGHD-RXMQYKEDSA-N -2 3 321.257 0.257 20 0 DCADHL COC(=O)c1cncc(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001201841522 774564126 /nfs/dbraw/zinc/56/41/26/774564126.db2.gz FANNREZQHKNULB-UHFFFAOYSA-N -2 3 309.303 0.770 20 0 DCADHL O=C1C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CN1Cc1ccccc1 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Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000822904207 607194651 /nfs/dbraw/zinc/19/46/51/607194651.db2.gz UCONLFONEGVJNV-UHFFFAOYSA-N -2 3 323.675 0.832 20 0 DCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000822904207 607194652 /nfs/dbraw/zinc/19/46/52/607194652.db2.gz UCONLFONEGVJNV-UHFFFAOYSA-N -2 3 323.675 0.832 20 0 DCADHL Cc1n[nH]cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826322453 608057689 /nfs/dbraw/zinc/05/76/89/608057689.db2.gz NCOCFJYGBCOFIT-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825074650 608144635 /nfs/dbraw/zinc/14/46/35/608144635.db2.gz IYCHLTLQRKTIEG-QMMMGPOBSA-N -2 3 309.351 0.725 20 0 DCADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825074650 608144636 /nfs/dbraw/zinc/14/46/36/608144636.db2.gz IYCHLTLQRKTIEG-QMMMGPOBSA-N -2 3 309.351 0.725 20 0 DCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000826425534 609254382 /nfs/dbraw/zinc/25/43/82/609254382.db2.gz IIPPFHVPUHZROF-UHFFFAOYSA-N -2 3 320.700 0.456 20 0 DCADHL CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)NC)cc1OCC ZINC000057124772 659201662 /nfs/dbraw/zinc/20/16/62/659201662.db2.gz VALDPPGJOXVGEW-UHFFFAOYSA-N -2 3 317.367 0.606 20 0 DCADHL CCc1ccc([O-])c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000902776253 663433457 /nfs/dbraw/zinc/43/34/57/663433457.db2.gz MQFWLJRKLKODIX-UHFFFAOYSA-N -2 3 306.318 0.324 20 0 DCADHL COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000912527382 664184094 /nfs/dbraw/zinc/18/40/94/664184094.db2.gz XMOSGPKYIOLDMF-UHFFFAOYSA-N -2 3 315.282 0.842 20 0 DCADHL CCOCCOc1ccc(S(=O)(=O)[N-][N-]C(=O)CC)cc1 ZINC000063442380 664629264 /nfs/dbraw/zinc/62/92/64/664629264.db2.gz HAGTWBTYEQLJRD-UHFFFAOYSA-N -2 3 316.379 0.821 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](COC(C)C)C(=O)[O-] ZINC000863418864 667141850 /nfs/dbraw/zinc/14/18/50/667141850.db2.gz IJVGVDLDHGNCLE-VIFPVBQESA-N -2 3 306.340 0.448 20 0 DCADHL O=C(NN1CC(=O)[N-]C1=O)c1c([O-])cc(Cl)cc1Cl ZINC000751059207 667995256 /nfs/dbraw/zinc/99/52/56/667995256.db2.gz XLKZYHVRNMKQHN-UHFFFAOYSA-N -2 3 304.089 0.896 20 0 DCADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776505558 668876996 /nfs/dbraw/zinc/87/69/96/668876996.db2.gz KQUYFYZHVKJFSE-ZETCQYMHSA-N -2 3 323.321 0.606 20 0 DCADHL COC(=O)c1nscc1S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-] ZINC000776587224 668878524 /nfs/dbraw/zinc/87/85/24/668878524.db2.gz JTPPESUOYUQVHZ-LURJTMIESA-N -2 3 322.364 0.319 20 0 DCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(N2CCCC2=O)ccc1F ZINC000816733304 670852118 /nfs/dbraw/zinc/85/21/18/670852118.db2.gz QBMBUQVRKYYCBY-UHFFFAOYSA-N -2 3 321.268 0.339 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccs1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450637 671488423 /nfs/dbraw/zinc/48/84/23/671488423.db2.gz WDNSDWJLOJTYDH-UHFFFAOYSA-N -2 3 324.347 0.375 20 0 DCADHL O=C([N-]S(=O)(=O)c1cccs1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450637 671488425 /nfs/dbraw/zinc/48/84/25/671488425.db2.gz WDNSDWJLOJTYDH-UHFFFAOYSA-N -2 3 324.347 0.375 20 0 DCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)[N-]OC(C)(C)CO ZINC000836802934 671833020 /nfs/dbraw/zinc/83/30/20/671833020.db2.gz APRQVGJVVZGCIK-UHFFFAOYSA-N -2 3 322.365 0.803 20 0 DCADHL CCO[N-]C(=O)CNC(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000846661810 672334102 /nfs/dbraw/zinc/33/41/02/672334102.db2.gz NQKGREQELPHOTJ-UHFFFAOYSA-N -2 3 304.306 0.441 20 0 DCADHL CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001573468736 1163444973 /nfs/dbraw/zinc/44/49/73/1163444973.db2.gz CWFMETGGKXRCDE-OCAPTIKFSA-N -2 3 317.367 0.732 20 0 DCADHL O=C([O-])c1nc[nH]c1C[N-]C(=O)C(F)(F)c1nccs1 ZINC001574406317 1163716495 /nfs/dbraw/zinc/71/64/95/1163716495.db2.gz ZMSHIXCXGALWTQ-UHFFFAOYSA-N -2 3 302.262 0.973 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCC[C@]12CCCO2 ZINC001574417280 1163717734 /nfs/dbraw/zinc/71/77/34/1163717734.db2.gz IRZMICPJVRMHGC-SKDRFNHKSA-N -2 3 315.351 0.488 20 0 DCADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001580462843 1165609685 /nfs/dbraw/zinc/60/96/85/1165609685.db2.gz YXFNPWDJBYWVQF-UHFFFAOYSA-N -2 3 303.257 0.995 20 0 DCADHL CC(C)C[C@@H](C(N)=O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589541783 1166665346 /nfs/dbraw/zinc/66/53/46/1166665346.db2.gz KZOPQYZIEHUZNG-NSHDSACASA-N -2 3 318.337 0.424 20 0 DCADHL CC(C)C[C@@H](C(N)=O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589541783 1166665351 /nfs/dbraw/zinc/66/53/51/1166665351.db2.gz KZOPQYZIEHUZNG-NSHDSACASA-N -2 3 318.337 0.424 20 0 DCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001590224895 1166820742 /nfs/dbraw/zinc/82/07/42/1166820742.db2.gz AAMWZIBIAZNSCE-JGVFFNPUSA-N -2 3 304.310 0.520 20 0 DCADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001590224895 1166820748 /nfs/dbraw/zinc/82/07/48/1166820748.db2.gz AAMWZIBIAZNSCE-JGVFFNPUSA-N -2 3 304.310 0.520 20 0 DCADHL C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)c(N)n1 ZINC001590226775 1166822008 /nfs/dbraw/zinc/82/20/08/1166822008.db2.gz SUHYAMXIUUCFKY-YUMQZZPRSA-N -2 3 303.326 0.533 20 0 DCADHL CC[C@H](C(=O)[O-])N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001590371149 1166891454 /nfs/dbraw/zinc/89/14/54/1166891454.db2.gz RTPNQSRDDKKEAS-LLVKDONJSA-N -2 3 319.321 0.567 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590393690 1166898109 /nfs/dbraw/zinc/89/81/09/1166898109.db2.gz LMYUCXQQAMKIKO-VIFPVBQESA-N -2 3 323.378 0.859 20 0 DCADHL CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590393690 1166898117 /nfs/dbraw/zinc/89/81/17/1166898117.db2.gz LMYUCXQQAMKIKO-VIFPVBQESA-N -2 3 323.378 0.859 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590644909 1166959991 /nfs/dbraw/zinc/95/99/91/1166959991.db2.gz MZJFZSHPELZIFO-UHFFFAOYSA-N -2 3 308.273 0.402 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590644909 1166959994 /nfs/dbraw/zinc/95/99/94/1166959994.db2.gz MZJFZSHPELZIFO-UHFFFAOYSA-N -2 3 308.273 0.402 20 0 DCADHL CCO[N-]C(=O)CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001590819683 1167034374 /nfs/dbraw/zinc/03/43/74/1167034374.db2.gz YBNZGHOYHOWAFX-UHFFFAOYSA-N -2 3 321.366 0.221 20 0 DCADHL CCO[N-]C(=O)CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001590819683 1167034380 /nfs/dbraw/zinc/03/43/80/1167034380.db2.gz YBNZGHOYHOWAFX-UHFFFAOYSA-N -2 3 321.366 0.221 20 0 DCADHL CCc1nnc(NC[C@H](C)C(=O)[O-])c(-c2nnn[n-]2)c1CC ZINC001590931990 1167053595 /nfs/dbraw/zinc/05/35/95/1167053595.db2.gz DZMFMYKIDYODMG-ZETCQYMHSA-N -2 3 305.342 0.914 20 0 DCADHL CCc1nnc(NC[C@H](C)C(=O)[O-])c(-c2nn[n-]n2)c1CC ZINC001590931990 1167053601 /nfs/dbraw/zinc/05/36/01/1167053601.db2.gz DZMFMYKIDYODMG-ZETCQYMHSA-N -2 3 305.342 0.914 20 0 DCADHL COc1ccc(CNC(=O)C(C)(C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001591591888 1167332606 /nfs/dbraw/zinc/33/26/06/1167332606.db2.gz XAJPRZSSRWAOPO-UHFFFAOYSA-N -2 3 319.321 0.602 20 0 DCADHL COc1ccc(CNC(=O)C(C)(C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001591591888 1167332611 /nfs/dbraw/zinc/33/26/11/1167332611.db2.gz XAJPRZSSRWAOPO-UHFFFAOYSA-N -2 3 319.321 0.602 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC001592053793 1167447313 /nfs/dbraw/zinc/44/73/13/1167447313.db2.gz ALXQWOMAVLVKTF-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC001592053793 1167447319 /nfs/dbraw/zinc/44/73/19/1167447319.db2.gz ALXQWOMAVLVKTF-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001593172124 1167730237 /nfs/dbraw/zinc/73/02/37/1167730237.db2.gz GCPZRAMYOLKBOK-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001593172124 1167730246 /nfs/dbraw/zinc/73/02/46/1167730246.db2.gz GCPZRAMYOLKBOK-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001593275271 1167752129 /nfs/dbraw/zinc/75/21/29/1167752129.db2.gz CVTQVFGZBJXASN-CABZTGNLSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001593275271 1167752136 /nfs/dbraw/zinc/75/21/36/1167752136.db2.gz CVTQVFGZBJXASN-CABZTGNLSA-N -2 3 318.337 0.944 20 0 DCADHL O=C([O-])[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001593275466 1167752358 /nfs/dbraw/zinc/75/23/58/1167752358.db2.gz BYIHNKOZERMQCQ-QMMMGPOBSA-N -2 3 310.701 0.205 20 0 DCADHL O=C([O-])[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001593275466 1167752366 /nfs/dbraw/zinc/75/23/66/1167752366.db2.gz BYIHNKOZERMQCQ-QMMMGPOBSA-N -2 3 310.701 0.205 20 0 DCADHL O=c1cc(-c2cccc(-c3nn[n-]n3)c2)[n-]n1[C@@H]1CCCOC1 ZINC001593383770 1167793328 /nfs/dbraw/zinc/79/33/28/1167793328.db2.gz GWQKMMWUUMHYBS-GFCCVEGCSA-N -2 3 312.333 0.982 20 0 DCADHL O=S(=O)([N-]CCF)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593438520 1167842621 /nfs/dbraw/zinc/84/26/21/1167842621.db2.gz NGLVBJUSYSJYGW-UHFFFAOYSA-N -2 3 307.257 0.393 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)CCc2ocnc2C(=O)[O-])n1 ZINC001600064542 1168109219 /nfs/dbraw/zinc/10/92/19/1168109219.db2.gz RWYBVKKNCRGGNC-UHFFFAOYSA-N -2 3 306.278 0.426 20 0 DCADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1C(=O)[O-] ZINC001600227802 1168141025 /nfs/dbraw/zinc/14/10/25/1168141025.db2.gz IKNBDBPYGJVUFE-MRVPVSSYSA-N -3 3 323.273 0.533 20 0 DCADHL Cc1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1C(=O)[O-] ZINC001600339705 1168169158 /nfs/dbraw/zinc/16/91/58/1168169158.db2.gz VUJSNJOCVAMULU-NSHDSACASA-N -2 3 303.318 0.935 20 0 DCADHL Cc1coc(CC(=O)[O-])c1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001600643730 1168226505 /nfs/dbraw/zinc/22/65/05/1168226505.db2.gz RALFTHXYFVWMLF-UHFFFAOYSA-N -2 3 323.330 0.929 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1C(=O)[O-] ZINC001600673802 1168245840 /nfs/dbraw/zinc/24/58/40/1168245840.db2.gz VKHSENVKRJPXCX-BDAKNGLRSA-N -2 3 315.351 0.262 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c1C(=O)[O-] ZINC001600673479 1168246015 /nfs/dbraw/zinc/24/60/15/1168246015.db2.gz FTWWNWNWJMOJCZ-MRVPVSSYSA-N -2 3 303.340 0.121 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C(=O)[O-] ZINC001600772624 1168286604 /nfs/dbraw/zinc/28/66/04/1168286604.db2.gz MJOYHINOSKZXAW-HTQZYQBOSA-N -2 3 321.786 0.914 20 0 DCADHL Cc1nonc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001600818954 1168474427 /nfs/dbraw/zinc/47/44/27/1168474427.db2.gz UNNYXJJWRXCPNF-UHFFFAOYSA-N -2 3 315.282 0.694 20 0 DCADHL NC(=O)CO[N-]C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001601152234 1168605016 /nfs/dbraw/zinc/60/50/16/1168605016.db2.gz QVGMFWPDDVYDFE-UHFFFAOYSA-N -2 3 319.220 0.525 20 0 DCADHL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1c[n-]ncc1=O)CCO2 ZINC001601445234 1168749298 /nfs/dbraw/zinc/74/92/98/1168749298.db2.gz YAIAXQHTNOLAQN-PUUHTONNSA-N -2 3 307.306 0.324 20 0 DCADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1cscn1 ZINC001601642857 1168799815 /nfs/dbraw/zinc/79/98/15/1168799815.db2.gz RHPIIAHVRFLYBQ-DTWKUNHWSA-N -2 3 320.392 0.691 20 0 DCADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)[C@H]([C@H]2CCCO2)C1 ZINC001601825114 1168905646 /nfs/dbraw/zinc/90/56/46/1168905646.db2.gz YHXMARUAXSCDCS-ADEWGFFLSA-N -2 3 321.333 0.667 20 0 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0.915 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])[C@H]1CCCO1 ZINC001605100048 1169823075 /nfs/dbraw/zinc/82/30/75/1169823075.db2.gz WNTYOKNBJTVBQO-RKDXNWHRSA-N -2 3 317.367 0.652 20 0 DCADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001605204639 1169870317 /nfs/dbraw/zinc/87/03/17/1169870317.db2.gz SEIPVJZALRSETI-GFCCVEGCSA-N -2 3 319.335 0.988 20 0 DCADHL CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605434928 1169920375 /nfs/dbraw/zinc/92/03/75/1169920375.db2.gz KNYQJWLYCOUATL-MRVPVSSYSA-N -2 3 305.356 0.381 20 0 DCADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC001605678009 1169986165 /nfs/dbraw/zinc/98/61/65/1169986165.db2.gz MJFQHYYVEYDCAD-UHFFFAOYSA-N -2 3 304.245 0.390 20 0 DCADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC001605678009 1169986171 /nfs/dbraw/zinc/98/61/71/1169986171.db2.gz MJFQHYYVEYDCAD-UHFFFAOYSA-N -2 3 304.245 0.390 20 0 DCADHL Cc1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1-c1nnn[n-]1 ZINC001605926533 1170029188 /nfs/dbraw/zinc/02/91/88/1170029188.db2.gz SCUMHQQCKWVDNI-ZZXKWVIFSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1cccc(S(=O)(=O)NC/C=C/C(=O)[O-])c1-c1nn[n-]n1 ZINC001605926533 1170029189 /nfs/dbraw/zinc/02/91/89/1170029189.db2.gz SCUMHQQCKWVDNI-ZZXKWVIFSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]c1c(-c2nnn[n-]2)cnn1C ZINC001606131844 1170089196 /nfs/dbraw/zinc/08/91/96/1170089196.db2.gz PEEXYBLHCNWEJL-UHFFFAOYSA-N -2 3 324.326 0.006 20 0 DCADHL COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C(C)C ZINC001606514977 1170225726 /nfs/dbraw/zinc/22/57/26/1170225726.db2.gz CEYFALXTUKINPV-OUAUKWLOSA-N -2 3 321.395 0.747 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001606962354 1170339815 /nfs/dbraw/zinc/33/98/15/1170339815.db2.gz RACYOKQGSZNKAA-WPRPVWTQSA-N -2 3 320.284 0.896 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1cnccn1 ZINC001607422567 1170448497 /nfs/dbraw/zinc/44/84/97/1170448497.db2.gz CZJUMGUNPAQUEU-ZCFIWIBFSA-N -2 3 314.348 0.671 20 0 DCADHL Cc1noc([C@H]([N-]S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)n1 ZINC001608024423 1170551774 /nfs/dbraw/zinc/55/17/74/1170551774.db2.gz YLUXZUPSEYXIOL-KXUCPTDWSA-N -2 3 317.367 0.858 20 0 DCADHL O=C([O-])C1(CS(=O)(=O)[N-][C@H]2CCCC23OCCO3)CC1 ZINC001608573152 1170704713 /nfs/dbraw/zinc/70/47/13/1170704713.db2.gz DHHZOJPXYDPNMY-VIFPVBQESA-N -2 3 305.352 0.066 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC001608965594 1170777729 /nfs/dbraw/zinc/77/77/29/1170777729.db2.gz BNQANAVKNDOFJF-UHFFFAOYSA-N -3 3 301.255 0.753 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1cccc(F)n1 ZINC001609005414 1170784274 /nfs/dbraw/zinc/78/42/74/1170784274.db2.gz VEJWPMZSDZMZEP-UHFFFAOYSA-N -2 3 317.323 0.854 20 0 DCADHL C[C@@H](CN(C)c1nc2c(cc1-c1nnn[n-]1)CCC2)C(=O)[O-] ZINC001609111681 1170814059 /nfs/dbraw/zinc/81/40/59/1170814059.db2.gz CKOUIVYYQFUSNI-QMMMGPOBSA-N -2 3 302.338 0.907 20 0 DCADHL C[C@@H](CN(C)c1nc2c(cc1-c1nn[n-]n1)CCC2)C(=O)[O-] ZINC001609111681 1170814065 /nfs/dbraw/zinc/81/40/65/1170814065.db2.gz CKOUIVYYQFUSNI-QMMMGPOBSA-N -2 3 302.338 0.907 20 0 DCADHL Cc1c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cccc1-c1nnn[n-]1 ZINC001609384848 1170958037 /nfs/dbraw/zinc/95/80/37/1170958037.db2.gz VLWSBPCBGAVHST-GHMZBOCLSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)cccc1-c1nn[n-]n1 ZINC001609384848 1170958043 /nfs/dbraw/zinc/95/80/43/1170958043.db2.gz VLWSBPCBGAVHST-GHMZBOCLSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cccc1-c1nnn[n-]1 ZINC001609384851 1170958155 /nfs/dbraw/zinc/95/81/55/1170958155.db2.gz VLWSBPCBGAVHST-WDEREUQCSA-N -2 3 317.305 0.746 20 0 DCADHL Cc1c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)cccc1-c1nn[n-]n1 ZINC001609384851 1170958158 /nfs/dbraw/zinc/95/81/58/1170958158.db2.gz VLWSBPCBGAVHST-WDEREUQCSA-N -2 3 317.305 0.746 20 0 DCADHL NC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001609505013 1171005737 /nfs/dbraw/zinc/00/57/37/1171005737.db2.gz CESTVCSKCBOKEM-UHFFFAOYSA-N -2 3 324.300 0.924 20 0 DCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001609836669 1171100375 /nfs/dbraw/zinc/10/03/75/1171100375.db2.gz YKZRGKXJIXSKCZ-APPZFPTMSA-N -2 3 302.286 0.505 20 0 DCADHL CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001609900711 1171118033 /nfs/dbraw/zinc/11/80/33/1171118033.db2.gz OPRYMBQMPOXTCT-SVRRBLITSA-N -2 3 305.356 0.102 20 0 DCADHL COCC1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCC1 ZINC001610250478 1171208298 /nfs/dbraw/zinc/20/82/98/1171208298.db2.gz TWGYEYDUGSDASZ-UHFFFAOYSA-N -2 3 303.340 0.264 20 0 DCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-])cc1F ZINC001610471136 1171239982 /nfs/dbraw/zinc/23/99/82/1171239982.db2.gz QDVQAUVUBVVNID-JTQLQIEISA-N -2 3 323.317 0.776 20 0 DCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])cc1F ZINC001610471137 1171240322 /nfs/dbraw/zinc/24/03/22/1171240322.db2.gz QDVQAUVUBVVNID-SNVBAGLBSA-N -2 3 323.317 0.776 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2CO)o1 ZINC001610840288 1171336926 /nfs/dbraw/zinc/33/69/26/1171336926.db2.gz WIIPVWFXNQJXQI-UHFFFAOYSA-N -2 3 311.315 0.949 20 0 DCADHL O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCc2c(=O)[n-]cnc2C1 ZINC001615917672 1171376194 /nfs/dbraw/zinc/37/61/94/1171376194.db2.gz VOQQQOKJWIKMFV-UHFFFAOYSA-N -2 3 313.273 0.623 20 0 DCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc2ccccc2c(=O)o1 ZINC001641493379 1171916913 /nfs/dbraw/zinc/91/69/13/1171916913.db2.gz NTQMVLPVDUPOPA-UHFFFAOYSA-N -2 3 313.269 0.924 20 0 DCADHL Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001650857895 1173734844 /nfs/dbraw/zinc/73/48/44/1173734844.db2.gz LEMHGDDDVLWVQI-SECBINFHSA-N -2 3 301.306 0.656 20 0 DCADHL Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001650857895 1173734848 /nfs/dbraw/zinc/73/48/48/1173734848.db2.gz LEMHGDDDVLWVQI-SECBINFHSA-N -2 3 301.306 0.656 20 0 DCADHL COC(=O)c1ncc2n1CCC[C@H]2OCCP(=O)([O-])[O-] ZINC001224601895 750147342 /nfs/dbraw/zinc/14/73/42/750147342.db2.gz MLXUEFLIXLPTLM-SECBINFHSA-N -2 3 304.239 0.699 20 0 DCADHL Cc1ncc(CO)c(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c1[O-] ZINC001147834024 767855421 /nfs/dbraw/zinc/85/54/21/767855421.db2.gz JHIVYRXNJZCREJ-UHFFFAOYSA-N -2 3 321.249 0.439 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H](O)c1ccc(O)cc1 ZINC001144607612 766987634 /nfs/dbraw/zinc/98/76/34/766987634.db2.gz HDCWNCOUKAKDLC-LLVKDONJSA-N -2 3 303.251 0.500 20 0 DCADHL COCCCn1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cn1 ZINC001149285156 768723121 /nfs/dbraw/zinc/72/31/21/768723121.db2.gz XPRTUZDXOWDXBY-UHFFFAOYSA-N -2 3 307.310 0.051 20 0 DCADHL CN(CCCNC(=O)c1ccccc1[O-])Cc1n[nH]c(=O)[n-]1 ZINC001234108485 769554183 /nfs/dbraw/zinc/55/41/83/769554183.db2.gz XETOOJZYFGEFKX-UHFFFAOYSA-N -2 3 305.338 0.468 20 0 DCADHL O=C(NCCCc1c[n-][nH]c1=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269551 770457213 /nfs/dbraw/zinc/45/72/13/770457213.db2.gz JYYFDOUDYHOPNH-MRVPVSSYSA-N -2 3 301.306 0.510 20 0 DCADHL Cn1ccc(C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])cc1=O ZINC001180176867 771068480 /nfs/dbraw/zinc/06/84/80/771068480.db2.gz PSUWMONJUNWIJG-UHFFFAOYSA-N -2 3 310.203 0.357 20 0 DCADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C1CCN(CCF)CC1 ZINC001180176582 771068520 /nfs/dbraw/zinc/06/85/20/771068520.db2.gz HTFLEYPFSRYKJL-UHFFFAOYSA-N -2 3 318.242 0.892 20 0 DCADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]CC1(c2cnccn2)CC1 ZINC001180176756 771068542 /nfs/dbraw/zinc/06/85/42/771068542.db2.gz NNMJCZRISIWSLA-UHFFFAOYSA-N -2 3 321.230 0.980 20 0 DCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC001185566200 771929280 /nfs/dbraw/zinc/92/92/80/771929280.db2.gz JTGGYSSOFXRBQZ-UHFFFAOYSA-N -2 3 322.306 0.664 20 0 DCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC001185566200 771929283 /nfs/dbraw/zinc/92/92/83/771929283.db2.gz JTGGYSSOFXRBQZ-UHFFFAOYSA-N -2 3 322.306 0.664 20 0 DCADHL CCn1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185573974 771930918 /nfs/dbraw/zinc/93/09/18/771930918.db2.gz RHLILYBOAZARLX-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL CCn1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185573974 771930922 /nfs/dbraw/zinc/93/09/22/771930922.db2.gz RHLILYBOAZARLX-UHFFFAOYSA-N -2 3 319.350 0.884 20 0 DCADHL Cc1cccc([O-])c1C(=O)NC(=N)SCCS(=O)(=O)[O-] ZINC001188660217 772332953 /nfs/dbraw/zinc/33/29/53/772332953.db2.gz VYJWMCJQVBADLN-UHFFFAOYSA-N -2 3 318.376 0.986 20 0 DCADHL O=C(NCS(=O)(=O)[O-])c1cccc(OC(F)(F)F)c1[O-] ZINC001189765655 772527772 /nfs/dbraw/zinc/52/77/72/772527772.db2.gz OLHMIJTYFDAGCN-UHFFFAOYSA-N -2 3 315.225 0.866 20 0 DCADHL O=c1[nH][n-]cc1CCC[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190190863 772598151 /nfs/dbraw/zinc/59/81/51/772598151.db2.gz DUNHIHNAJRETBQ-SSDOTTSWSA-N -2 3 318.305 0.150 20 0 DCADHL CCOc1ccc(C)cc1S(=O)(=O)NCCP(=O)([O-])[O-] ZINC001191841468 772834475 /nfs/dbraw/zinc/83/44/75/772834475.db2.gz LBAXNWIFEMAHMQ-UHFFFAOYSA-N -2 3 323.307 0.850 20 0 DCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)c1cnccc1Cl ZINC001192922786 772981282 /nfs/dbraw/zinc/98/12/82/772981282.db2.gz PHWVYUDHHNXBKM-UHFFFAOYSA-N -2 3 306.727 0.447 20 0 DCADHL O=C(N=c1ncnc2[nH][n-]cc1-2)c1cccc(OCCO)c1[O-] ZINC001193323192 773046531 /nfs/dbraw/zinc/04/65/31/773046531.db2.gz TYMCKOMVXCTFLA-UHFFFAOYSA-N -2 3 315.289 0.055 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ncon2)c(F)cc1F ZINC001195186688 773337749 /nfs/dbraw/zinc/33/77/49/773337749.db2.gz LMHRZILKGWETNX-UHFFFAOYSA-N -2 3 319.245 0.525 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](CO)C2)c(F)cc1F ZINC001195246515 773355163 /nfs/dbraw/zinc/35/51/63/773355163.db2.gz HWFOOQPSNFVWLW-KNVOCYPGSA-N -2 3 321.301 0.712 20 0 DCADHL O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cn2)S1 ZINC001196255492 773564478 /nfs/dbraw/zinc/56/44/78/773564478.db2.gz UNCSNXGEKZDKPM-SSDOTTSWSA-N -2 3 307.740 0.322 20 0 DCADHL COc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])c(C)c1 ZINC001198961924 774008404 /nfs/dbraw/zinc/00/84/04/774008404.db2.gz AIXKTXOXEDTVRM-UHFFFAOYSA-N -2 3 309.280 0.460 20 0 DCADHL O=c1nc2nc(Br)[n-]c2c(OC[C@H]2C[C@@H](O)C2)[n-]1 ZINC001218432056 774225445 /nfs/dbraw/zinc/22/54/45/774225445.db2.gz CVRVOQJORAKOKC-SYDPRGILSA-N -2 3 315.127 0.971 20 0 DCADHL O=C(NCCOP(=O)([O-])[O-])[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001220221271 774738411 /nfs/dbraw/zinc/73/84/11/774738411.db2.gz XMIWGDGBTRYHNE-RQJHMYQMSA-N -2 3 320.204 0.142 20 0 DCADHL CC(C)(C)OC(=O)N1C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC1=O ZINC001227569671 775986401 /nfs/dbraw/zinc/98/64/01/775986401.db2.gz DUZBUQJAZBJAHE-ZCFIWIBFSA-N -2 3 312.282 0.198 20 0 DCADHL O=c1nc2nc(Br)[n-]c2c(OC[C@@H]2CCO2)[n-]1 ZINC001227593555 775987234 /nfs/dbraw/zinc/98/72/34/775987234.db2.gz DIDWADNKZVGBEX-BYPYZUCNSA-N -2 3 301.100 0.989 20 0 DCADHL Cc1c(-c2nnn[n-]2)c([N-]S(=O)(=O)CCCCF)nn1C ZINC001591799732 1167383035 /nfs/dbraw/zinc/38/30/35/1167383035.db2.gz SAHWSCDZMADYRT-UHFFFAOYSA-N -2 3 317.350 0.400 20 0 DCADHL Cc1c(-c2nn[n-]n2)c([N-]S(=O)(=O)CCCCF)nn1C ZINC001591799732 1167383039 /nfs/dbraw/zinc/38/30/39/1167383039.db2.gz SAHWSCDZMADYRT-UHFFFAOYSA-N -2 3 317.350 0.400 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C2(C)C)oc1C(=O)[O-] ZINC001600298197 1168159661 /nfs/dbraw/zinc/15/96/61/1168159661.db2.gz CHPKBZSKFLWRIV-HTQZYQBOSA-N -2 3 303.336 0.724 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])cc1C(=O)[O-] ZINC001600855737 1168487455 /nfs/dbraw/zinc/48/74/55/1168487455.db2.gz XWOMBXNSQWISFF-ZETCQYMHSA-N -3 3 309.271 0.377 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCNc1cnccn1 ZINC001602488266 1169088873 /nfs/dbraw/zinc/08/88/73/1169088873.db2.gz MAXAJZCSQDCBMC-UHFFFAOYSA-N -2 3 312.307 0.158 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC001602586742 1169127184 /nfs/dbraw/zinc/12/71/84/1169127184.db2.gz GOISDGMDJRTGHW-SSDOTTSWSA-N -2 3 306.365 0.281 20 0 DCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256534170 946641689 /nfs/dbraw/zinc/64/16/89/946641689.db2.gz WSZSIUCRTIJBDT-UHFFFAOYSA-N -3 3 321.700 0.789 20 0 DCADHL Cc1nn(C)cc1S(=O)(=O)[N-]N=c1[n-]ncc(N)c1Cl ZINC001323634770 946669204 /nfs/dbraw/zinc/66/92/04/946669204.db2.gz JSHVDFYMLNWLNR-UHFFFAOYSA-N -2 3 317.762 0.060 20 0 DCADHL COC(=O)C([N-]S(=O)(=O)c1c(F)cccc1F)=C(C)[O-] ZINC001259071546 946910693 /nfs/dbraw/zinc/91/06/93/946910693.db2.gz CIZYRNMNWUENTB-SECBINFHSA-N -2 3 307.274 0.374 20 0 DCADHL O=S(=O)([O-])C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259503396 946963335 /nfs/dbraw/zinc/96/33/35/946963335.db2.gz UVXQRVOTXDOQQA-UHFFFAOYSA-N -2 3 305.255 0.228 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)NC(C)(C)C ZINC001604357613 1169566454 /nfs/dbraw/zinc/56/64/54/1169566454.db2.gz DAPMNLXPSMLRSA-SSDOTTSWSA-N -2 3 318.351 0.559 20 0 DCADHL O=c1nc(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[n-]o1 ZINC001324157084 947335693 /nfs/dbraw/zinc/33/56/93/947335693.db2.gz IGIWRPFAQPMSIA-UHFFFAOYSA-N -2 3 308.678 0.029 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)nc1 ZINC001595220950 949245772 /nfs/dbraw/zinc/24/57/72/949245772.db2.gz RFKMTMFGOFIIKJ-UHFFFAOYSA-N -2 3 315.211 0.847 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 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C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1nn(C)cc1[O-] ZINC001589946261 1166728192 /nfs/dbraw/zinc/72/81/92/1166728192.db2.gz NDYSRXUDTNOEJF-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1nn(C)cc1[O-] ZINC001589946261 1166728199 /nfs/dbraw/zinc/72/81/99/1166728199.db2.gz NDYSRXUDTNOEJF-SSDOTTSWSA-N -2 3 314.309 0.192 20 0 DCADHL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590409829 1166899684 /nfs/dbraw/zinc/89/96/84/1166899684.db2.gz KFRPYNGMKIUGTL-SECBINFHSA-N -2 3 318.337 0.899 20 0 DCADHL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590409829 1166899692 /nfs/dbraw/zinc/89/96/92/1166899692.db2.gz KFRPYNGMKIUGTL-SECBINFHSA-N -2 3 318.337 0.899 20 0 DCADHL CCO[N-]C(=O)CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001590818691 1167031282 /nfs/dbraw/zinc/03/12/82/1167031282.db2.gz GYZHTEXNLYJPIK-UHFFFAOYSA-N -2 3 317.353 0.620 20 0 DCADHL CCO[N-]C(=O)CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001590818691 1167031286 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COc1cc(-c2nn[n-]n2)ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001591494691 1167314694 /nfs/dbraw/zinc/31/46/94/1167314694.db2.gz SYNUUYMPDHWSJY-UHFFFAOYSA-N -2 3 321.322 0.399 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C(F)F ZINC001591863002 1167401975 /nfs/dbraw/zinc/40/19/75/1167401975.db2.gz GWGPDHZHNWCBLN-UHFFFAOYSA-N -2 3 317.277 0.457 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C(F)F ZINC001591863002 1167401980 /nfs/dbraw/zinc/40/19/80/1167401980.db2.gz GWGPDHZHNWCBLN-UHFFFAOYSA-N -2 3 317.277 0.457 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2ccn(C)n2)ccc1-c1nnn[n-]1 ZINC001592064929 1167449233 /nfs/dbraw/zinc/44/92/33/1167449233.db2.gz OSOCZWMUBDPXTN-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2ccn(C)n2)ccc1-c1nn[n-]n1 ZINC001592064929 1167449236 /nfs/dbraw/zinc/44/92/36/1167449236.db2.gz OSOCZWMUBDPXTN-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC001592104258 1167455725 /nfs/dbraw/zinc/45/57/25/1167455725.db2.gz STGQZCZCRCGTAN-QWRGUYRKSA-N -2 3 317.305 0.746 20 0 DCADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C1(O)CCSCC1 ZINC001593171314 1167728532 /nfs/dbraw/zinc/72/85/32/1167728532.db2.gz VCNSLEHGDDGIOW-UHFFFAOYSA-N -2 3 321.362 0.535 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C1(O)CCSCC1 ZINC001593171314 1167728538 /nfs/dbraw/zinc/72/85/38/1167728538.db2.gz VCNSLEHGDDGIOW-UHFFFAOYSA-N -2 3 321.362 0.535 20 0 DCADHL O=C([O-])[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001593276909 1167752772 /nfs/dbraw/zinc/75/27/72/1167752772.db2.gz REYJRDOGVJCDRM-MRVPVSSYSA-N -2 3 310.701 0.205 20 0 DCADHL O=C([O-])[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001593276909 1167752775 /nfs/dbraw/zinc/75/27/75/1167752775.db2.gz REYJRDOGVJCDRM-MRVPVSSYSA-N -2 3 310.701 0.205 20 0 DCADHL COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001598728422 1168033300 /nfs/dbraw/zinc/03/33/00/1168033300.db2.gz BEACMOUSXQTGBC-QMMMGPOBSA-N -2 3 315.303 0.518 20 0 DCADHL Cc1cnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001600621082 1168216185 /nfs/dbraw/zinc/21/61/85/1168216185.db2.gz WCEDMHJOWJAQAR-UHFFFAOYSA-N -2 3 311.319 0.597 20 0 DCADHL Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001600668736 1168239446 /nfs/dbraw/zinc/23/94/46/1168239446.db2.gz GNKRCQLONUTTMM-ZETCQYMHSA-N -2 3 314.323 0.752 20 0 DCADHL Cc1c(NC(=O)CCc2c(C)nc[n-]c2=O)cnn1CC(=O)[O-] ZINC001600732711 1168265758 /nfs/dbraw/zinc/26/57/58/1168265758.db2.gz YHWOOAXNSMXICE-UHFFFAOYSA-N -2 3 319.321 0.651 20 0 DCADHL O=C([O-])[C@@]1(NC(=O)c2cc(F)cc3n[n-]nc32)CCSC1 ZINC001601431662 1168745156 /nfs/dbraw/zinc/74/51/56/1168745156.db2.gz LTPOWDISVKRIRH-GFCCVEGCSA-N -2 3 310.310 0.787 20 0 DCADHL O=C([O-])CCS(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC001602028446 1168971591 /nfs/dbraw/zinc/97/15/91/1168971591.db2.gz DNWIJEQLBDJCIK-UHFFFAOYSA-N -2 3 301.246 0.662 20 0 DCADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CC(F)(F)CO)c1 ZINC001602272906 1169047562 /nfs/dbraw/zinc/04/75/62/1169047562.db2.gz CPJCQYKBIGDMMS-UHFFFAOYSA-N -2 3 313.253 0.430 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H](c1ccncc1)C1CC1 ZINC001602507834 1169101727 /nfs/dbraw/zinc/10/17/27/1169101727.db2.gz LOAGYNLWQSAHKR-NSHDSACASA-N -2 3 322.346 0.933 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c1 ZINC001602556281 1169116161 /nfs/dbraw/zinc/11/61/61/1169116161.db2.gz FXNPJVNPZNODTI-DTWKUNHWSA-N -2 3 301.320 0.560 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](CO)C[C@@H]2CCCO2)c1 ZINC001602556015 1169116571 /nfs/dbraw/zinc/11/65/71/1169116571.db2.gz BVCGCSXQALIXQG-ZJUUUORDSA-N -2 3 319.335 0.186 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cccnc2F)c1 ZINC001602559036 1169117906 /nfs/dbraw/zinc/11/79/06/1169117906.db2.gz JLLWOJIECFGCDN-UHFFFAOYSA-N -2 3 300.267 0.990 20 0 DCADHL CC(C)([N-]S(=O)(=O)c1cccnc1Cl)[C@H](O)C(=O)[O-] ZINC001603686149 1169352702 /nfs/dbraw/zinc/35/27/02/1169352702.db2.gz OUASTVNEWNAQLV-SSDOTTSWSA-N -2 3 308.743 0.237 20 0 DCADHL CC1(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])OCCO1 ZINC001604571840 1169620813 /nfs/dbraw/zinc/62/08/13/1169620813.db2.gz RZSNLZNSSSAWPQ-UHFFFAOYSA-N -2 3 322.364 0.273 20 0 DCADHL Cc1coc(CC(=O)[O-])c1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001604616498 1169632624 /nfs/dbraw/zinc/63/26/24/1169632624.db2.gz WMISMGKQYZQAIT-SECBINFHSA-N -2 3 307.306 0.457 20 0 DCADHL COCCc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)[n-]1 ZINC001605080459 1169816487 /nfs/dbraw/zinc/81/64/87/1169816487.db2.gz GFYXELMZAWKOOG-UHFFFAOYSA-N -2 3 300.322 0.992 20 0 DCADHL CCC(O)(CC)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605108638 1169827988 /nfs/dbraw/zinc/82/79/88/1169827988.db2.gz UPMXJFUTVCZLBW-UHFFFAOYSA-N -2 3 308.381 0.671 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001605142940 1169843395 /nfs/dbraw/zinc/84/33/95/1169843395.db2.gz CSOVAYRKWOXPSA-UHFFFAOYSA-N -2 3 307.314 0.039 20 0 DCADHL CO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001605142940 1169843400 /nfs/dbraw/zinc/84/34/00/1169843400.db2.gz CSOVAYRKWOXPSA-UHFFFAOYSA-N -2 3 307.314 0.039 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1n[n-]c(=O)o1 ZINC001605168797 1169856660 /nfs/dbraw/zinc/85/66/60/1169856660.db2.gz SLTAJBXHKSWHFD-UHFFFAOYSA-N -2 3 317.309 0.596 20 0 DCADHL C[C@H](CC(=O)[O-])NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001605432748 1169920048 /nfs/dbraw/zinc/92/00/48/1169920048.db2.gz DQTHEHAQFFHGIV-MRVPVSSYSA-N -2 3 305.294 0.225 20 0 DCADHL CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001605509455 1169943146 /nfs/dbraw/zinc/94/31/46/1169943146.db2.gz RQEXUUCAKCWPRP-SECBINFHSA-N -2 3 309.384 0.748 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001605799386 1170004828 /nfs/dbraw/zinc/00/48/28/1170004828.db2.gz QUTJGOSUMXIWPC-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL CCc1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c([O-])c1 ZINC001605804626 1170007030 /nfs/dbraw/zinc/00/70/30/1170007030.db2.gz LBSKQTRIEFQWHH-NSHDSACASA-N -2 3 309.318 0.901 20 0 DCADHL CCc1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)c1[O-] ZINC001605825771 1170007999 /nfs/dbraw/zinc/00/79/99/1170007999.db2.gz FXJNIUWIZSALNW-RYUDHWBXSA-N -2 3 321.329 0.900 20 0 DCADHL CCc1ccc([O-])c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC001605821404 1170009078 /nfs/dbraw/zinc/00/90/78/1170009078.db2.gz GYYGWLNTBTUJOS-UHFFFAOYSA-N -2 3 316.317 0.941 20 0 DCADHL CN(C(=O)Nc1n[n-]nc1C(=O)NC1CC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605972250 1170039544 /nfs/dbraw/zinc/03/95/44/1170039544.db2.gz SWOWYERYIBZHBV-WRXNHJIOSA-N -2 3 322.325 0.024 20 0 DCADHL Cc1n[nH]c(C)c1CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001606009987 1170047023 /nfs/dbraw/zinc/04/70/23/1170047023.db2.gz VZWDWZXAWSJEOT-UHFFFAOYSA-N -2 3 313.321 0.859 20 0 DCADHL Cc1n[nH]c(C)c1CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001606009987 1170047027 /nfs/dbraw/zinc/04/70/27/1170047027.db2.gz VZWDWZXAWSJEOT-UHFFFAOYSA-N -2 3 313.321 0.859 20 0 DCADHL COC(=O)C[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001606439013 1170202436 /nfs/dbraw/zinc/20/24/36/1170202436.db2.gz RFJSTGMGNXAADF-YFKPBYRVSA-N -2 3 308.262 0.367 20 0 DCADHL COC(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606452979 1170208910 /nfs/dbraw/zinc/20/89/10/1170208910.db2.gz LRMCSFVKEZUQAU-UHFFFAOYSA-N -2 3 305.308 0.599 20 0 DCADHL CO[C@@H]1CCOC[C@H]1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001606999072 1170349988 /nfs/dbraw/zinc/34/99/88/1170349988.db2.gz AIQWROUHSQLDRZ-GHMZBOCLSA-N -2 3 321.395 0.355 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC2=CCOCC2)oc1C(=O)[O-] ZINC001607707870 1170499310 /nfs/dbraw/zinc/49/93/10/1170499310.db2.gz UPQWEPVHCLSMSU-UHFFFAOYSA-N -2 3 301.320 0.911 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCSC(C)C)c1C(=O)[O-] ZINC001607938445 1170529253 /nfs/dbraw/zinc/52/92/53/1170529253.db2.gz QMCVTYQZLZWUNI-UHFFFAOYSA-N -2 3 307.397 0.836 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCC2(CO)CC2)cc1C(=O)[O-] ZINC001608056083 1170561937 /nfs/dbraw/zinc/56/19/37/1170561937.db2.gz KHVQRIRTFSGFHP-UHFFFAOYSA-N -2 3 303.336 0.727 20 0 DCADHL O=C(NCc1ccc([O-])c(F)c1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001608468964 1170686444 /nfs/dbraw/zinc/68/64/44/1170686444.db2.gz RXWFJHANIQQVMZ-KYZUINATSA-N -2 3 310.281 0.127 20 0 DCADHL O=C([O-])Cn1ncc2ccc(NC(=O)c3cc(=O)[n-]cn3)cc21 ZINC001608800100 1170756987 /nfs/dbraw/zinc/75/69/87/1170756987.db2.gz ACRCSHIBDUNVBA-UHFFFAOYSA-N -2 3 313.273 0.869 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)o1 ZINC001608911650 1170770982 /nfs/dbraw/zinc/77/09/82/1170770982.db2.gz VFYCTPFGBLITGB-RNFRBKRXSA-N -3 3 301.276 0.285 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ncc[n-]1 ZINC001609338477 1170944020 /nfs/dbraw/zinc/94/40/20/1170944020.db2.gz DJXFLRIZEWUMGK-UHFFFAOYSA-N -2 3 322.306 0.366 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ncc[n-]1 ZINC001609338477 1170944026 /nfs/dbraw/zinc/94/40/26/1170944026.db2.gz DJXFLRIZEWUMGK-UHFFFAOYSA-N -2 3 322.306 0.366 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001609624881 1171053828 /nfs/dbraw/zinc/05/38/28/1171053828.db2.gz YHTBXUGQCQUASK-CQSZACIVSA-N -2 3 308.290 0.324 20 0 DCADHL COC(=O)C1([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CCCCC1 ZINC001610155911 1171181173 /nfs/dbraw/zinc/18/11/73/1171181173.db2.gz DFPGSEHUMHRXPI-UHFFFAOYSA-N -2 3 321.395 0.893 20 0 DCADHL Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610475543 1171241125 /nfs/dbraw/zinc/24/11/25/1171241125.db2.gz BBJLZDBZYFYBNQ-NXEZZACHSA-N -2 3 318.337 0.788 20 0 DCADHL CC(=O)OCC(COC(C)=O)OCCCCP(=O)([O-])[O-] ZINC001225019672 750519635 /nfs/dbraw/zinc/51/96/35/750519635.db2.gz ZSANVLWJTZQIRK-UHFFFAOYSA-N -2 3 312.255 0.456 20 0 DCADHL COC(=O)c1c[n-]c2nc(NCCOP(=O)([O-])[O-])[nH+]cc12 ZINC001168587179 752659225 /nfs/dbraw/zinc/65/92/25/752659225.db2.gz PIAWGNJTOAXTGH-UHFFFAOYSA-N -2 3 316.210 0.217 20 0 DCADHL CN(C[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)C(=O)c1ccccc1[O-] ZINC001085489760 758939050 /nfs/dbraw/zinc/93/90/50/758939050.db2.gz HMDQDOICGMZFCG-SNVBAGLBSA-N -2 3 317.349 0.562 20 0 DCADHL CCOC(=O)N1CCC(Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233940583 769503104 /nfs/dbraw/zinc/50/31/04/769503104.db2.gz XSRLDRCMRQGKDK-UHFFFAOYSA-N -2 3 307.310 0.646 20 0 DCADHL C[C@](O)(CC(=O)NCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001179813232 771019608 /nfs/dbraw/zinc/01/96/08/771019608.db2.gz ARMFXMHJLFCKKZ-QMMMGPOBSA-N -2 3 307.205 0.764 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1NC(=O)c2ccccc21 ZINC001182425548 771475906 /nfs/dbraw/zinc/47/59/06/771475906.db2.gz CPZBGPJQLKHNBQ-LLVKDONJSA-N -2 3 312.262 0.545 20 0 DCADHL O=C([O-])CCC(=O)C[N-]S(=O)(=O)c1cccnc1Cl ZINC001184895635 771838175 /nfs/dbraw/zinc/83/81/75/771838175.db2.gz NTZPKXLCSFFLRT-UHFFFAOYSA-N -2 3 306.727 0.447 20 0 DCADHL CC(=O)c1cccc(C(=O)NCCCCP(=O)([O-])[O-])n1 ZINC001190754320 772673577 /nfs/dbraw/zinc/67/35/77/772673577.db2.gz WACDWPLCOKECNB-UHFFFAOYSA-N -2 3 300.251 0.972 20 0 DCADHL CSc1ncc(C(=O)NCCCC[P@@](=O)([O-])O)c(=O)[n-]1 ZINC001191437267 772769152 /nfs/dbraw/zinc/76/91/52/772769152.db2.gz MRVRXSBJIXJBKR-UHFFFAOYSA-N -2 3 321.295 0.592 20 0 DCADHL CSc1ncc(C(=O)NCCCC[P@](=O)([O-])O)c(=O)[n-]1 ZINC001191437267 772769156 /nfs/dbraw/zinc/76/91/56/772769156.db2.gz MRVRXSBJIXJBKR-UHFFFAOYSA-N -2 3 321.295 0.592 20 0 DCADHL CSc1ncc(C(=O)NCCCCP(=O)([O-])[O-])c(=O)[n-]1 ZINC001191437267 772769159 /nfs/dbraw/zinc/76/91/59/772769159.db2.gz MRVRXSBJIXJBKR-UHFFFAOYSA-N -3 3 321.295 0.592 20 0 DCADHL CC(C)n1cc(C(=O)NCCCCP(=O)([O-])[O-])cnc1=O ZINC001199250156 774068453 /nfs/dbraw/zinc/06/84/53/774068453.db2.gz YSAAIMGOIIWLNH-UHFFFAOYSA-N -2 3 317.282 0.512 20 0 DCADHL CC[C@@H](O)C(=O)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594336 775988097 /nfs/dbraw/zinc/98/80/97/775988097.db2.gz MMFQIABNEIFTAR-GSVOUGTGSA-N -2 3 317.099 0.497 20 0 DCADHL CCOC(=O)c1c(O)cc([O-])cc1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001229743649 776222271 /nfs/dbraw/zinc/22/22/71/776222271.db2.gz CPABOYJAUUWFLN-QMMMGPOBSA-N -2 3 314.246 0.016 20 0 DCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1s[n-]c(=O)c1Cl ZINC001592753400 1167631319 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CC(=O)N1CCC([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001573409630 1163429762 /nfs/dbraw/zinc/42/97/62/1163429762.db2.gz FPMQTURTACXUGY-UHFFFAOYSA-N -2 3 316.335 0.267 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CC2(CCC2)CO1 ZINC001574416905 1163717607 /nfs/dbraw/zinc/71/76/07/1163717607.db2.gz CAMIGVQHKCBOQZ-MRVPVSSYSA-N -2 3 315.351 0.345 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@]12CCC[C@H]1OCC2 ZINC001574417575 1163718135 /nfs/dbraw/zinc/71/81/35/1163718135.db2.gz NENAQMAGNKAKEA-KCJUWKMLSA-N -2 3 301.324 0.098 20 0 DCADHL COC(=O)[C@@]1([N-]S(=O)(=O)CCC(=O)[O-])CC[C@@H](C)CC1 ZINC001574573831 1163730917 /nfs/dbraw/zinc/73/09/17/1163730917.db2.gz TZFKFZZHOGEOHY-OTCDBFHCSA-N -2 3 307.368 0.502 20 0 DCADHL COC(=O)c1nsc([N-]C(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001579491306 1165330670 /nfs/dbraw/zinc/33/06/70/1165330670.db2.gz GAJHCVSKXSYQRM-UHFFFAOYSA-N -2 3 321.278 0.350 20 0 DCADHL COc1ncc(NC(=O)c2ccc([O-])cn2)cc1-c1nnn[n-]1 ZINC001580139703 1165515320 /nfs/dbraw/zinc/51/53/20/1165515320.db2.gz KKTTUVSXYMBPAK-UHFFFAOYSA-N -2 3 313.277 0.623 20 0 DCADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2n[nH]c(=O)[n-]2)n1 ZINC001589221974 1166639832 /nfs/dbraw/zinc/63/98/32/1166639832.db2.gz BIYNIXUTMCHYIJ-UHFFFAOYSA-N -2 3 315.341 0.995 20 0 DCADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2n[nH]c(=O)[n-]2)n1 ZINC001589221974 1166639835 /nfs/dbraw/zinc/63/98/35/1166639835.db2.gz BIYNIXUTMCHYIJ-UHFFFAOYSA-N -2 3 315.341 0.995 20 0 DCADHL C[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589859338 1166702677 /nfs/dbraw/zinc/70/26/77/1166702677.db2.gz RFPUEGNGJLSOFZ-ZCFIWIBFSA-N -2 3 308.273 0.848 20 0 DCADHL C[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001589859338 1166702685 /nfs/dbraw/zinc/70/26/85/1166702685.db2.gz RFPUEGNGJLSOFZ-ZCFIWIBFSA-N -2 3 308.273 0.848 20 0 DCADHL CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590394035 1166896415 /nfs/dbraw/zinc/89/64/15/1166896415.db2.gz SFVWBQZDKWDQNG-MRVPVSSYSA-N -2 3 309.351 0.718 20 0 DCADHL CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590394035 1166896419 /nfs/dbraw/zinc/89/64/19/1166896419.db2.gz SFVWBQZDKWDQNG-MRVPVSSYSA-N -2 3 309.351 0.718 20 0 DCADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1)OC ZINC001590448968 1166908378 /nfs/dbraw/zinc/90/83/78/1166908378.db2.gz YXCOSBORKFWDRR-VIFPVBQESA-N -2 3 312.355 0.428 20 0 DCADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590535402 1166935348 /nfs/dbraw/zinc/93/53/48/1166935348.db2.gz PHWHKBAVIQVEDZ-XBXARRHUSA-N -2 3 322.350 0.423 20 0 DCADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590535402 1166935357 /nfs/dbraw/zinc/93/53/57/1166935357.db2.gz PHWHKBAVIQVEDZ-XBXARRHUSA-N -2 3 322.350 0.423 20 0 DCADHL CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590538233 1166939943 /nfs/dbraw/zinc/93/99/43/1166939943.db2.gz MHHGRRPGFDQVNT-UHFFFAOYSA-N -2 3 309.351 0.613 20 0 DCADHL CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590538233 1166939949 /nfs/dbraw/zinc/93/99/49/1166939949.db2.gz MHHGRRPGFDQVNT-UHFFFAOYSA-N -2 3 309.351 0.613 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001590819569 1167034641 /nfs/dbraw/zinc/03/46/41/1167034641.db2.gz VZKCFELMZBMDPK-UHFFFAOYSA-N -2 3 316.321 0.750 20 0 DCADHL CCO[N-]C(=O)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001590819569 1167034647 /nfs/dbraw/zinc/03/46/47/1167034647.db2.gz VZKCFELMZBMDPK-UHFFFAOYSA-N -2 3 316.321 0.750 20 0 DCADHL CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)[O-] ZINC001590868462 1167041020 /nfs/dbraw/zinc/04/10/20/1167041020.db2.gz NPXCMTSSBHTPTD-YFKPBYRVSA-N -2 3 317.352 0.070 20 0 DCADHL CN(C)c1n[nH]c(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001591034262 1167085916 /nfs/dbraw/zinc/08/59/16/1167085916.db2.gz KELXZMUERODYAH-UHFFFAOYSA-N -2 3 315.297 0.009 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N[C@H](C)C(=O)[O-] ZINC001591844856 1167392417 /nfs/dbraw/zinc/39/24/17/1167392417.db2.gz RMSIQNFFXCISBY-SECBINFHSA-N -2 3 303.322 0.615 20 0 DCADHL Cc1cc(NCC2(C(=O)[O-])CCOCC2)nc(-c2nnn[n-]2)c1 ZINC001592041405 1167444925 /nfs/dbraw/zinc/44/49/25/1167444925.db2.gz IFWVRCREPAFPTM-UHFFFAOYSA-N -2 3 318.337 0.863 20 0 DCADHL Cc1cccc(NC(=O)C(=O)[N-]OC2CCC2)c1-c1nnn[n-]1 ZINC001592235232 1167479045 /nfs/dbraw/zinc/47/90/45/1167479045.db2.gz WXEOTMIVDWDHPV-UHFFFAOYSA-N -2 3 316.321 0.714 20 0 DCADHL Cc1cccc(NC(=O)C(=O)[N-]OC2CCC2)c1-c1nn[n-]n1 ZINC001592235232 1167479048 /nfs/dbraw/zinc/47/90/48/1167479048.db2.gz WXEOTMIVDWDHPV-UHFFFAOYSA-N -2 3 316.321 0.714 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001592580662 1167568148 /nfs/dbraw/zinc/56/81/48/1167568148.db2.gz WKLANKGCJUOLAB-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC001592580662 1167568154 /nfs/dbraw/zinc/56/81/54/1167568154.db2.gz WKLANKGCJUOLAB-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2sccc2-c2nnn[n-]2)O1 ZINC001593273363 1167749782 /nfs/dbraw/zinc/74/97/82/1167749782.db2.gz FUFHVUAFJMAYLH-RQJHMYQMSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2sccc2-c2nn[n-]n2)O1 ZINC001593273363 1167749790 /nfs/dbraw/zinc/74/97/90/1167749790.db2.gz FUFHVUAFJMAYLH-RQJHMYQMSA-N -2 3 309.307 0.499 20 0 DCADHL O=C([O-])CCNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001593278389 1167753642 /nfs/dbraw/zinc/75/36/42/1167753642.db2.gz BQQWPGDHYUQGMY-UHFFFAOYSA-N -2 3 302.294 0.367 20 0 DCADHL O=C([O-])CCNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001593278389 1167753650 /nfs/dbraw/zinc/75/36/50/1167753650.db2.gz BQQWPGDHYUQGMY-UHFFFAOYSA-N -2 3 302.294 0.367 20 0 DCADHL O=c1cc(-c2cccc(-c3nn[n-]n3)c2)[n-]n1[C@H]1CCCOC1 ZINC001593383771 1167795205 /nfs/dbraw/zinc/79/52/05/1167795205.db2.gz GWQKMMWUUMHYBS-LBPRGKRZSA-N -2 3 312.333 0.982 20 0 DCADHL Cc1cc(CS(=O)(=O)[N-]Cc2ncc(C(=O)[O-])s2)on1 ZINC001600215332 1168140225 /nfs/dbraw/zinc/14/02/25/1168140225.db2.gz ALNDRFACSNHMSI-UHFFFAOYSA-N -2 3 317.348 0.757 20 0 DCADHL Cc1cc(NC(=O)NCCCc2c[n-][nH]c2=O)ncc1C(=O)[O-] ZINC001600269648 1168154374 /nfs/dbraw/zinc/15/43/74/1168154374.db2.gz HIQPWMVUCOLMQD-SECBINFHSA-N -2 3 319.321 0.722 20 0 DCADHL Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])o1 ZINC001600387393 1168177548 /nfs/dbraw/zinc/17/75/48/1168177548.db2.gz XYPCMXRHYFVHBD-MRVPVSSYSA-N -2 3 315.307 0.021 20 0 DCADHL Cc1ccccc1C(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001600563486 1168200056 /nfs/dbraw/zinc/20/00/56/1168200056.db2.gz FVIDQOMPLSNAPB-UHFFFAOYSA-N -2 3 323.330 0.578 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)c1C(=O)[O-] ZINC001600672950 1168244714 /nfs/dbraw/zinc/24/47/14/1168244714.db2.gz LVDAKQSHYTYNFD-QMMMGPOBSA-N -2 3 324.362 0.893 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC001600790823 1168296233 /nfs/dbraw/zinc/29/62/33/1168296233.db2.gz OLORVEZJARXBAD-UHFFFAOYSA-N -2 3 310.335 0.323 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CC2([S@](C)=O)CC2)cc1C(=O)[O-] ZINC001600858597 1168488380 /nfs/dbraw/zinc/48/83/80/1168488380.db2.gz ZWBFSRDCJYKKDA-IBGZPJMESA-N -2 3 321.376 0.476 20 0 DCADHL O=C([O-])c1cccc(NC(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001601495203 1168764980 /nfs/dbraw/zinc/76/49/80/1168764980.db2.gz UKJOIMKBWHNEGF-QMMMGPOBSA-N -2 3 305.294 0.413 20 0 DCADHL O=C([O-])C[C@@]1(N/C=C2/C(=O)[N-]C(=O)c3ccccc32)CCOC1 ZINC001601933871 1168938733 /nfs/dbraw/zinc/93/87/33/1168938733.db2.gz BUPLRKZIQOEPFV-RCLKMUNOSA-N -2 3 316.313 0.521 20 0 DCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2)c1F ZINC001602264781 1169044266 /nfs/dbraw/zinc/04/42/66/1169044266.db2.gz RQNFNBQDWYODOH-KNVOCYPGSA-N -2 3 323.729 0.979 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cnc[nH]2)oc1Cl ZINC001602296640 1169052512 /nfs/dbraw/zinc/05/25/12/1169052512.db2.gz JXMDKWMIUSDLBK-UHFFFAOYSA-N -2 3 305.699 0.833 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)F)no2)o1 ZINC001602401237 1169073541 /nfs/dbraw/zinc/07/35/41/1169073541.db2.gz XFTDWVFNGCHYKI-UHFFFAOYSA-N -2 3 323.233 0.777 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001602488764 1169090088 /nfs/dbraw/zinc/09/00/88/1169090088.db2.gz LRMITHSKMFTIEZ-WEDXCCLWSA-N -2 3 317.319 0.060 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1cnccn1 ZINC001602588899 1169128859 /nfs/dbraw/zinc/12/88/59/1169128859.db2.gz QVBDHFDEWGVDGZ-UHFFFAOYSA-N -2 3 300.321 0.110 20 0 DCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)[O-] ZINC001603529385 1169318852 /nfs/dbraw/zinc/31/88/52/1169318852.db2.gz LGRAQCFGIABNET-MRVPVSSYSA-N -3 3 305.308 0.755 20 0 DCADHL CC(C)(CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001603613129 1169333942 /nfs/dbraw/zinc/33/39/42/1169333942.db2.gz DGDUIVSZUBHXQH-UHFFFAOYSA-N -3 3 322.364 0.621 20 0 DCADHL CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)C(=O)[O-] ZINC001604036234 1169475045 /nfs/dbraw/zinc/47/50/45/1169475045.db2.gz LHJTXGFDSGMQFD-MRVPVSSYSA-N -2 3 304.310 0.411 20 0 DCADHL CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)c(C)n1)C(=O)[O-] ZINC001604036234 1169475047 /nfs/dbraw/zinc/47/50/47/1169475047.db2.gz LHJTXGFDSGMQFD-MRVPVSSYSA-N -2 3 304.310 0.411 20 0 DCADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)[O-] ZINC001604132089 1169501813 /nfs/dbraw/zinc/50/18/13/1169501813.db2.gz GUNPGQSEDYXKBA-ZETCQYMHSA-N -3 3 305.308 0.757 20 0 DCADHL C[C@@](Cn1cccn1)(NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001604245200 1169532306 /nfs/dbraw/zinc/53/23/06/1169532306.db2.gz WPEZHTPXRJWEDW-AWEZNQCLSA-N -2 3 314.305 0.428 20 0 DCADHL C/C=C/C[C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCC ZINC001604852957 1169712150 /nfs/dbraw/zinc/71/21/50/1169712150.db2.gz UMYKBGUSTUDWEN-STUBTGCMSA-N -2 3 321.395 0.915 20 0 DCADHL CC[C@@H](C)NC(=O)CN1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001604968183 1169767256 /nfs/dbraw/zinc/76/72/56/1169767256.db2.gz JNTZPBVITMUCGI-GPZIFOQPSA-N -2 3 312.366 0.399 20 0 DCADHL CC[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605025098 1169783897 /nfs/dbraw/zinc/78/38/97/1169783897.db2.gz PWMBLBPXDTXEBU-VIFPVBQESA-N -2 3 317.367 0.526 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001605064885 1169803799 /nfs/dbraw/zinc/80/37/99/1169803799.db2.gz KMUQIIAVMVLFCG-CQSZACIVSA-N -2 3 321.312 0.933 20 0 DCADHL CCC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])OC ZINC001605214648 1169874399 /nfs/dbraw/zinc/87/43/99/1169874399.db2.gz QWCCKJXUXAELBS-SSDOTTSWSA-N -2 3 308.381 0.935 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)CCC(=O)[O-] ZINC001605515822 1169944849 /nfs/dbraw/zinc/94/48/49/1169944849.db2.gz NOCICTQMWNPKDG-UHFFFAOYSA-N -2 3 317.349 0.959 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c1-c1nnn[n-]1 ZINC001605959009 1170037628 /nfs/dbraw/zinc/03/76/28/1170037628.db2.gz STLXWFCAQKKDSF-HLTSFMKQSA-N -2 3 304.310 0.206 20 0 DCADHL Cc1ccnc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)c1-c1nn[n-]n1 ZINC001605959009 1170037635 /nfs/dbraw/zinc/03/76/35/1170037635.db2.gz STLXWFCAQKKDSF-HLTSFMKQSA-N -2 3 304.310 0.206 20 0 DCADHL Cc1ncc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)s1 ZINC001606092268 1170073443 /nfs/dbraw/zinc/07/34/43/1170073443.db2.gz PCTLAGYNFDCJRK-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL Cc1ncc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)s1 ZINC001606092268 1170073449 /nfs/dbraw/zinc/07/34/49/1170073449.db2.gz PCTLAGYNFDCJRK-UHFFFAOYSA-N -2 3 323.363 0.827 20 0 DCADHL COC(=O)C1CCC(NC(=O)c2c[n-]ncc2=O)(C(=O)[O-])CC1 ZINC001606396394 1170182779 /nfs/dbraw/zinc/18/27/79/1170182779.db2.gz CPCCSBILHCMDJA-UHFFFAOYSA-N -2 3 323.305 0.099 20 0 DCADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1c([O-])cc(F)cc1F ZINC001606446229 1170206828 /nfs/dbraw/zinc/20/68/28/1170206828.db2.gz JPCIGPBUMFSBKC-UHFFFAOYSA-N -2 3 307.220 0.318 20 0 DCADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1c([O-])cc(F)cc1F ZINC001606446229 1170206830 /nfs/dbraw/zinc/20/68/30/1170206830.db2.gz JPCIGPBUMFSBKC-UHFFFAOYSA-N -2 3 307.220 0.318 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2ccc(C=CC(=O)[O-])o2)n[n-]1 ZINC001606483043 1170218595 /nfs/dbraw/zinc/21/85/95/1170218595.db2.gz ALCZMBVVDLTDEI-HWKANZROSA-N -2 3 320.261 0.463 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)c2oc(C(=O)[O-])cc2C)n1 ZINC001606484600 1170218960 /nfs/dbraw/zinc/21/89/60/1170218960.db2.gz XRMHGDRITXGAMU-UHFFFAOYSA-N -2 3 308.250 0.372 20 0 DCADHL COC(=O)Cc1nnc(NC(=O)c2oc(C(=O)[O-])cc2C)[n-]1 ZINC001606484600 1170218966 /nfs/dbraw/zinc/21/89/66/1170218966.db2.gz XRMHGDRITXGAMU-UHFFFAOYSA-N -2 3 308.250 0.372 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2oc(C(=O)[O-])cc2C)n[n-]1 ZINC001606484600 1170218973 /nfs/dbraw/zinc/21/89/73/1170218973.db2.gz XRMHGDRITXGAMU-UHFFFAOYSA-N -2 3 308.250 0.372 20 0 DCADHL COC(=O)c1cc(C(=O)O[C@@H](C)c2cn(CC(=O)[O-])nn2)c[n-]1 ZINC001606538018 1170230792 /nfs/dbraw/zinc/23/07/92/1170230792.db2.gz XQSHQJMVXNTFIB-ZETCQYMHSA-N -2 3 322.277 0.395 20 0 DCADHL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])C1 ZINC001606700717 1170266313 /nfs/dbraw/zinc/26/63/13/1170266313.db2.gz PSJISWBZFVVNPL-HNNXBMFYSA-N -2 3 322.317 0.666 20 0 DCADHL CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001607000369 1170350752 /nfs/dbraw/zinc/35/07/52/1170350752.db2.gz WCMXPHGBTNNUFJ-HTQZYQBOSA-N -2 3 303.340 0.262 20 0 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20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H]1CCN(C(=O)[O-])C1 ZINC000833931585 605424830 /nfs/dbraw/zinc/42/48/30/605424830.db2.gz FCIIRYVYOUCRTQ-VIFPVBQESA-N -2 3 303.340 0.570 20 0 DCADHL O=C([O-])NC[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000834218961 605653025 /nfs/dbraw/zinc/65/30/25/605653025.db2.gz DZRASXKTEFQCGZ-MRVPVSSYSA-N -2 3 308.290 0.993 20 0 DCADHL O=C([O-])N[C@H]1CC[C@@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000834163942 605833859 /nfs/dbraw/zinc/83/38/59/605833859.db2.gz NCHMRVFVMUJVCU-BDAKNGLRSA-N -2 3 306.322 0.503 20 0 DCADHL O=C([O-])N1CCN(CCCNC(=O)c2ccc(O)cc2[O-])CC1 ZINC000834038501 605834046 /nfs/dbraw/zinc/83/40/46/605834046.db2.gz JMPTULAAEXTOPZ-UHFFFAOYSA-N -2 3 323.349 0.513 20 0 DCADHL O=C([N-]S(=O)(=O)CCCF)c1cc(-c2nnn[n-]2)cs1 ZINC000823284090 606469565 /nfs/dbraw/zinc/46/95/65/606469565.db2.gz CHPPMSLBFIDLSS-UHFFFAOYSA-N -2 3 319.343 0.347 20 0 DCADHL O=C([N-]S(=O)(=O)CCCF)c1cc(-c2nn[n-]n2)cs1 ZINC000823284090 606469566 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Cc1cc(=O)[n-]c(N2CC[C@H](Nc3cnc(C(=O)[O-])cn3)C2)n1 ZINC001600065111 1168109448 /nfs/dbraw/zinc/10/94/48/1168109448.db2.gz QMJVDUVIVCWOCE-VIFPVBQESA-N -2 3 316.321 0.670 20 0 DCADHL O=C(COC(=O)c1ccc(C(=O)[O-])[nH]1)[N-]C(=O)c1cccs1 ZINC001601334641 1168712034 /nfs/dbraw/zinc/71/20/34/1168712034.db2.gz XQQXTPIHRTWXMA-UHFFFAOYSA-N -2 3 322.298 0.888 20 0 DCADHL O=C([O-])c1nc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cs1 ZINC001601549183 1168780565 /nfs/dbraw/zinc/78/05/65/1168780565.db2.gz BHCZVWKMEMJIDZ-UHFFFAOYSA-N -2 3 321.240 0.908 20 0 DCADHL O=C([O-])[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccnc1F ZINC001601642723 1168799309 /nfs/dbraw/zinc/79/93/09/1168799309.db2.gz SYNMCKUWJKMBIA-DTWKUNHWSA-N -2 3 318.326 0.521 20 0 DCADHL O=C([O-])CCN1CC[C@@H](N2CCC[C@H](c3n[n-]c(=O)o3)C2)C1=O ZINC001602010666 1168961416 /nfs/dbraw/zinc/96/14/16/1168961416.db2.gz YZTZQYDAHKMKII-VHSXEESVSA-N -2 3 324.337 0.030 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(CC(F)F)C2)o1 ZINC001602397141 1169069536 /nfs/dbraw/zinc/06/95/36/1169069536.db2.gz NQENNKORROPMGY-ZETCQYMHSA-N -2 3 324.305 0.596 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCO[C@H]2CCCCO2)o1 ZINC001602399143 1169072367 /nfs/dbraw/zinc/07/23/67/1169072367.db2.gz SANJTNOZSNRFRW-JTQLQIEISA-N -2 3 319.335 0.799 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c1 ZINC001602556280 1169116944 /nfs/dbraw/zinc/11/69/44/1169116944.db2.gz FXNPJVNPZNODTI-BDAKNGLRSA-N -2 3 301.320 0.560 20 0 DCADHL O=C([O-])c1cc(NC(=O)NN2CC(=O)[N-]C2=O)c(F)cc1F ZINC001602650411 1169145817 /nfs/dbraw/zinc/14/58/17/1169145817.db2.gz NZGDFLLSURGCSC-UHFFFAOYSA-N -2 3 314.204 0.251 20 0 DCADHL C[C@H](C(=O)NC1CC1)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001603154930 1169259256 /nfs/dbraw/zinc/25/92/56/1169259256.db2.gz DAPMFSMOKPGJEN-GBEDGGLNSA-N -2 3 310.350 0.151 20 0 DCADHL CC[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC001603979080 1169461974 /nfs/dbraw/zinc/46/19/74/1169461974.db2.gz PLGIPSXHTLLORG-JTQLQIEISA-N -2 3 305.294 0.476 20 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545951069 /nfs/dbraw/zinc/95/10/69/545951069.db2.gz ZEAQQTMXOWWMKV-NKWVEPMBSA-N -2 3 306.365 0.687 20 0 DCADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000681578177 548266317 /nfs/dbraw/zinc/26/63/17/548266317.db2.gz CICBGAYNXRATAA-WCBMZHEXSA-N -2 3 319.383 0.426 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)CC(=O)[O-] ZINC000682699032 548420663 /nfs/dbraw/zinc/42/06/63/548420663.db2.gz SXNHBCMAVBNAEW-QMMMGPOBSA-N -2 3 305.356 0.301 20 0 DCADHL CC(=O)NCCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000819758188 597692353 /nfs/dbraw/zinc/69/23/53/597692353.db2.gz OIVWASBUBSMCNK-QMMMGPOBSA-N -2 3 310.306 0.149 20 0 DCADHL Cc1ccc(-c2cc(C(=O)OCC(=O)NCC(=O)[O-])n[n-]2)o1 ZINC000821052027 597835467 /nfs/dbraw/zinc/83/54/67/597835467.db2.gz HVHLJVQCOQYASO-UHFFFAOYSA-N -2 3 307.262 0.336 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000070422186 598449423 /nfs/dbraw/zinc/44/94/23/598449423.db2.gz UNKHCMSCLXBVFL-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000070422186 598449425 /nfs/dbraw/zinc/44/94/25/598449425.db2.gz UNKHCMSCLXBVFL-UHFFFAOYSA-N -2 3 305.323 0.699 20 0 DCADHL COc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000737063289 599470358 /nfs/dbraw/zinc/47/03/58/599470358.db2.gz UVMUUQIIQIRLNT-UHFFFAOYSA-N -2 3 321.322 0.399 20 0 DCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000737063289 599470360 /nfs/dbraw/zinc/47/03/60/599470360.db2.gz UVMUUQIIQIRLNT-UHFFFAOYSA-N -2 3 321.322 0.399 20 0 DCADHL COC(=O)Cc1nnc(NC(=O)c2cccc(C(=O)[O-])c2)[n-]1 ZINC000737631942 600536922 /nfs/dbraw/zinc/53/69/22/600536922.db2.gz XNVUBGIKEJOKJO-UHFFFAOYSA-N -2 3 304.262 0.471 20 0 DCADHL COC(=O)Cc1nc(NC(=O)c2cccc(C(=O)[O-])c2)n[n-]1 ZINC000737631942 600536923 /nfs/dbraw/zinc/53/69/23/600536923.db2.gz XNVUBGIKEJOKJO-UHFFFAOYSA-N -2 3 304.262 0.471 20 0 DCADHL COC[C@](C)(CC(=O)[O-])NC(=O)c1nnc2ccccc2c1[O-] ZINC000776680146 601293476 /nfs/dbraw/zinc/29/34/76/601293476.db2.gz XKFIQQKURXGOLY-HNNXBMFYSA-N -2 3 319.317 0.945 20 0 DCADHL O=C([O-])[C@@]1(F)CCN(C(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000833131577 601759266 /nfs/dbraw/zinc/75/92/66/601759266.db2.gz UYKUQUYSGIDBPK-CQSZACIVSA-N -2 3 310.281 0.147 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2CCC[C@H]2CNC(=O)[O-])c(=O)[n-]1 ZINC000830716691 603133645 /nfs/dbraw/zinc/13/36/45/603133645.db2.gz WDLPXAVNGUONCD-NSHDSACASA-N -2 3 322.365 0.990 20 0 DCADHL CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000827870852 603606039 /nfs/dbraw/zinc/60/60/39/603606039.db2.gz GJZJSIYZPUGHGD-MRVPVSSYSA-N -2 3 308.290 0.945 20 0 DCADHL C/C(=C/COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)[O-] ZINC000825753836 604432771 /nfs/dbraw/zinc/43/27/71/604432771.db2.gz VKNQISRSESPWBQ-JGAIRUGNSA-N -2 3 307.368 0.524 20 0 DCADHL CSc1nc(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)n[n-]1 ZINC000829783545 604791130 /nfs/dbraw/zinc/79/11/30/604791130.db2.gz LQWLEXUCFFFPCK-LURJTMIESA-N -2 3 301.328 0.234 20 0 DCADHL CSc1nc(NC(=O)C[C@@H]2CN(C(=O)[O-])CCO2)n[n-]1 ZINC000829783548 604791365 /nfs/dbraw/zinc/79/13/65/604791365.db2.gz LQWLEXUCFFFPCK-ZCFIWIBFSA-N -2 3 301.328 0.234 20 0 DCADHL C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833627836 605209785 /nfs/dbraw/zinc/20/97/85/605209785.db2.gz VQBKSMBOGAKATJ-GZMMTYOYSA-N -2 3 314.363 0.739 20 0 DCADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)O[C@H]1CCN(C(=O)[O-])C1 ZINC000823759265 605403592 /nfs/dbraw/zinc/40/35/92/605403592.db2.gz HPMDKYBBNWIOLB-DTWKUNHWSA-N -2 3 322.383 0.246 20 0 DCADHL CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)Nc1ncccc1[O-] ZINC000833797933 605478938 /nfs/dbraw/zinc/47/89/38/605478938.db2.gz PEAWFGKDSDVCTK-JTQLQIEISA-N -2 3 310.310 0.134 20 0 DCADHL O=C([O-])N[C@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)C1CC1 ZINC000834138604 605874004 /nfs/dbraw/zinc/87/40/04/605874004.db2.gz BFPKJGVRKZTJSP-GFCCVEGCSA-N -2 3 321.333 0.284 20 0 DCADHL C[C@@H]1C[C@@H](CNC(=O)[O-])CN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000833827821 605901272 /nfs/dbraw/zinc/90/12/72/605901272.db2.gz BALMINMCJHLGQY-ZJUUUORDSA-N -2 3 305.338 0.501 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cn1 ZINC000822685169 606212519 /nfs/dbraw/zinc/21/25/19/606212519.db2.gz UAWZCLQUICAYAK-UHFFFAOYSA-N -2 3 321.322 0.107 20 0 DCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)no1 ZINC000826327360 609338601 /nfs/dbraw/zinc/33/86/01/609338601.db2.gz FCXWRMDDFKPFAW-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)no1 ZINC000826327360 609338602 /nfs/dbraw/zinc/33/86/02/609338602.db2.gz FCXWRMDDFKPFAW-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL O=C(NC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-] ZINC001028416124 661499330 /nfs/dbraw/zinc/49/93/30/661499330.db2.gz RIVMBHQFTLLLSM-JTQLQIEISA-N -2 3 317.349 0.468 20 0 DCADHL O=C(c1c([O-])cccc1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479385 663700886 /nfs/dbraw/zinc/70/08/86/663700886.db2.gz JZXRCLYLLLLBBY-MRVPVSSYSA-N -2 3 309.326 0.975 20 0 DCADHL Cc1n[nH]c(C(=O)[N-]NC(=O)c2ccccc2[O-])c1[N+](=O)[O-] ZINC000064354357 665311278 /nfs/dbraw/zinc/31/12/78/665311278.db2.gz NGWZXXJJZBZPPO-UHFFFAOYSA-N -2 3 305.250 0.407 20 0 DCADHL CCCN(CC(=O)[O-])CC(=O)N=c1cc(C(C)(C)C)[n-]n1C ZINC000758295057 668165785 /nfs/dbraw/zinc/16/57/85/668165785.db2.gz AJYKGPUNPHKGSG-UHFFFAOYSA-N -2 3 310.398 0.875 20 0 DCADHL CCOC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761244970 668316876 /nfs/dbraw/zinc/31/68/76/668316876.db2.gz SNAFNXQWPLQFDO-UHFFFAOYSA-N -2 3 323.273 0.504 20 0 DCADHL COC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761238235 668316955 /nfs/dbraw/zinc/31/69/55/668316955.db2.gz NPUINGRIEBRKQW-ZCFIWIBFSA-N -2 3 309.290 0.976 20 0 DCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C/C=C\C(=O)[O-] ZINC000788444816 669440288 /nfs/dbraw/zinc/44/02/88/669440288.db2.gz BUCMNJXFIJMION-IHWYPQMZSA-N -2 3 317.294 0.531 20 0 DCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cccnc2F)s1 ZINC000791332594 669604515 /nfs/dbraw/zinc/60/45/15/669604515.db2.gz OWLSAYJBHLUONS-UHFFFAOYSA-N -2 3 317.327 0.696 20 0 DCADHL O=C([O-])C1([N-]S(=O)(=O)c2cccnc2Cl)CCOCC1 ZINC000131797220 669683827 /nfs/dbraw/zinc/68/38/27/669683827.db2.gz QGKZTXZTIORDMM-UHFFFAOYSA-N -2 3 320.754 0.647 20 0 DCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cn[nH]c1-c1ccccc1F ZINC000820288681 671188952 /nfs/dbraw/zinc/18/89/52/671188952.db2.gz NWKKRAAQVNNDBX-UHFFFAOYSA-N -2 3 304.241 0.602 20 0 DCADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837293312 671855417 /nfs/dbraw/zinc/85/54/17/671855417.db2.gz FNZADTSDZJTNRN-IWSPIJDZSA-N -2 3 311.331 0.060 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000844821901 672205077 /nfs/dbraw/zinc/20/50/77/672205077.db2.gz QPQKEOCNEUXCIK-ZCFIWIBFSA-N -2 3 321.786 0.914 20 0 DCADHL C[C@@H](NC(=O)[C@@H]1CC(C(=O)[O-])=NO1)c1nc(C(F)(F)F)n[n-]1 ZINC001573611055 1163515339 /nfs/dbraw/zinc/51/53/39/1163515339.db2.gz HJQPQRQNGQVLDO-WUJLRWPWSA-N -2 3 321.215 0.230 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC001573627059 1163518603 /nfs/dbraw/zinc/51/86/03/1163518603.db2.gz VTCDXNPSPQPQSK-HTAVTVPLSA-N -2 3 309.366 0.896 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(=O)[O-])nn1 ZINC001574156487 1163650248 /nfs/dbraw/zinc/65/02/48/1163650248.db2.gz IRCUOAXMFCFUPG-NXEZZACHSA-N -2 3 315.351 0.086 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCOC2)c1C(=O)[O-] ZINC001574181963 1163653814 /nfs/dbraw/zinc/65/38/14/1163653814.db2.gz GTLUCNXRVGFBAX-XPUUQOCRSA-N -2 3 303.340 0.120 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@H](C)C(=O)[O-])C2)n1 ZINC001574674923 1163740920 /nfs/dbraw/zinc/74/09/20/1163740920.db2.gz WMSCGYDZJRSGCH-UWVGGRQHSA-N -2 3 308.338 0.296 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001579268015 1165255472 /nfs/dbraw/zinc/25/54/72/1165255472.db2.gz OBWLVRAEOAGEGS-UHFFFAOYSA-N -2 3 315.293 0.156 20 0 DCADHL CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589651448 1166671976 /nfs/dbraw/zinc/67/19/76/1166671976.db2.gz SNYDJUZWQJQQSW-UHFFFAOYSA-N -2 3 309.351 0.582 20 0 DCADHL CC(C)CS(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001589651448 1166671980 /nfs/dbraw/zinc/67/19/80/1166671980.db2.gz SNYDJUZWQJQQSW-UHFFFAOYSA-N -2 3 309.351 0.582 20 0 DCADHL C[C@H](CNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)C(=O)[O-] ZINC001589859143 1166700349 /nfs/dbraw/zinc/70/03/49/1166700349.db2.gz YTJJEKVHTGIECE-MRVPVSSYSA-N -2 3 316.321 0.613 20 0 DCADHL C[C@H](CNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)C(=O)[O-] ZINC001589859143 1166700355 /nfs/dbraw/zinc/70/03/55/1166700355.db2.gz YTJJEKVHTGIECE-MRVPVSSYSA-N -2 3 316.321 0.613 20 0 DCADHL C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590214831 1166815648 /nfs/dbraw/zinc/81/56/48/1166815648.db2.gz DPOJAQJINAMMFK-KWQFWETISA-N -2 3 321.362 0.469 20 0 DCADHL C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590214831 1166815653 /nfs/dbraw/zinc/81/56/53/1166815653.db2.gz DPOJAQJINAMMFK-KWQFWETISA-N -2 3 321.362 0.469 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001590644595 1166959460 /nfs/dbraw/zinc/95/94/60/1166959460.db2.gz HGIIERSAVMGKLR-UHFFFAOYSA-N -2 3 320.309 0.272 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001590644595 1166959464 /nfs/dbraw/zinc/95/94/64/1166959464.db2.gz HGIIERSAVMGKLR-UHFFFAOYSA-N -2 3 320.309 0.272 20 0 DCADHL CCc1c[nH]c(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001590900713 1167043925 /nfs/dbraw/zinc/04/39/25/1167043925.db2.gz UMEUIUWPJCWVNM-UHFFFAOYSA-N -2 3 313.321 0.805 20 0 DCADHL CCc1c[nH]c(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001590900713 1167043928 /nfs/dbraw/zinc/04/39/28/1167043928.db2.gz UMEUIUWPJCWVNM-UHFFFAOYSA-N -2 3 313.321 0.805 20 0 DCADHL CCc1cc([N-]S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)no1 ZINC001590883504 1167043973 /nfs/dbraw/zinc/04/39/73/1167043973.db2.gz GATNALWJPZONEK-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CCc1cc([N-]S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)no1 ZINC001590883504 1167043980 /nfs/dbraw/zinc/04/39/80/1167043980.db2.gz GATNALWJPZONEK-UHFFFAOYSA-N -2 3 321.322 0.613 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591132054 1167110575 /nfs/dbraw/zinc/11/05/75/1167110575.db2.gz GMRKIGNFOJYTPT-UHFFFAOYSA-N -2 3 305.273 0.726 20 0 DCADHL CN(Cc1n[n-]c(=O)o1)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591132054 1167110578 /nfs/dbraw/zinc/11/05/78/1167110578.db2.gz GMRKIGNFOJYTPT-UHFFFAOYSA-N -2 3 305.273 0.726 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001591387061 1167255768 /nfs/dbraw/zinc/25/57/68/1167255768.db2.gz NKBXHIWFTPJTKU-ZDUSSCGKSA-N -2 3 304.310 0.189 20 0 DCADHL COCCN(CCC(=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC001591422425 1167277137 /nfs/dbraw/zinc/27/71/37/1167277137.db2.gz JIANRQWNPICUSE-UHFFFAOYSA-N -2 3 309.301 0.933 20 0 DCADHL COc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)ccc1-c1nnn[n-]1 ZINC001591517441 1167319159 /nfs/dbraw/zinc/31/91/59/1167319159.db2.gz RHMBHRABPXVHBS-NSHDSACASA-N -2 3 319.321 0.714 20 0 DCADHL COc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)ccc1-c1nn[n-]n1 ZINC001591517441 1167319163 /nfs/dbraw/zinc/31/91/63/1167319163.db2.gz RHMBHRABPXVHBS-NSHDSACASA-N -2 3 319.321 0.714 20 0 DCADHL COc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1-c1nnn[n-]1 ZINC001591515856 1167320762 /nfs/dbraw/zinc/32/07/62/1167320762.db2.gz RHMBHRABPXVHBS-LLVKDONJSA-N -2 3 319.321 0.714 20 0 DCADHL COc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1-c1nn[n-]n1 ZINC001591515856 1167320767 /nfs/dbraw/zinc/32/07/67/1167320767.db2.gz RHMBHRABPXVHBS-LLVKDONJSA-N -2 3 319.321 0.714 20 0 DCADHL Cc1c(Cl)cnc(N2CCO[C@@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001591821047 1167389090 /nfs/dbraw/zinc/38/90/90/1167389090.db2.gz FNKPIOGOUWDSPY-MRVPVSSYSA-N -2 3 324.728 0.513 20 0 DCADHL Cc1c(Cl)cnc(N2CCO[C@@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001591821047 1167389094 /nfs/dbraw/zinc/38/90/94/1167389094.db2.gz FNKPIOGOUWDSPY-MRVPVSSYSA-N -2 3 324.728 0.513 20 0 DCADHL Cc1nnc(N2CCC[C@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c1C ZINC001592448452 1167527974 /nfs/dbraw/zinc/52/79/74/1167527974.db2.gz TZUXTTWBGXJBSS-VIFPVBQESA-N -2 3 303.326 0.575 20 0 DCADHL Cc1nnc(N2CCC[C@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c1C ZINC001592448452 1167527979 /nfs/dbraw/zinc/52/79/79/1167527979.db2.gz TZUXTTWBGXJBSS-VIFPVBQESA-N -2 3 303.326 0.575 20 0 DCADHL O=C([N-]N1Cc2ccccc2C1=O)c1coc(-c2nn[n-]n2)c1 ZINC001593153323 1167729267 /nfs/dbraw/zinc/72/92/67/1167729267.db2.gz AEXLQTGUPWKTEP-UHFFFAOYSA-N -2 3 310.273 0.761 20 0 DCADHL O=C(NOC1CCOCC1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593168777 1167729542 /nfs/dbraw/zinc/72/95/42/1167729542.db2.gz CSFTUSMAIGMWJR-UHFFFAOYSA-N -2 3 305.294 0.413 20 0 DCADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCOC2 ZINC001593170710 1167729928 /nfs/dbraw/zinc/72/99/28/1167729928.db2.gz LRVKEDBKTJRPLB-FZMZJTMJSA-N -2 3 301.306 0.703 20 0 DCADHL O=S(=O)(NCc1ccc(-c2nnn[n-]2)s1)c1ncc[n-]1 ZINC001593440564 1167841867 /nfs/dbraw/zinc/84/18/67/1167841867.db2.gz COGLBTUHOGFEKQ-UHFFFAOYSA-N -2 3 311.352 0.130 20 0 DCADHL O=S(=O)(NCc1ccc(-c2nn[n-]n2)s1)c1ncc[n-]1 ZINC001593440564 1167841873 /nfs/dbraw/zinc/84/18/73/1167841873.db2.gz COGLBTUHOGFEKQ-UHFFFAOYSA-N -2 3 311.352 0.130 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCN(c3nccc(C(=O)[O-])n3)CC2)n1 ZINC001600064782 1168109938 /nfs/dbraw/zinc/10/99/38/1168109938.db2.gz DZZIYOSIBBPCQG-UHFFFAOYSA-N -2 3 316.321 0.305 20 0 DCADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc(C)n1 ZINC001600210320 1168138907 /nfs/dbraw/zinc/13/89/07/1168138907.db2.gz NOELSWLENFEWBM-UHFFFAOYSA-N -2 3 311.319 0.863 20 0 DCADHL Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C(=O)[O-])[nH]1 ZINC001600274133 1168154297 /nfs/dbraw/zinc/15/42/97/1168154297.db2.gz MGKMNHHLHLGFJQ-UHFFFAOYSA-N -2 3 313.277 0.849 20 0 DCADHL Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C(=O)[O-])[nH]1 ZINC001600274133 1168154301 /nfs/dbraw/zinc/15/43/01/1168154301.db2.gz MGKMNHHLHLGFJQ-UHFFFAOYSA-N -2 3 313.277 0.849 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1C(=O)[O-] ZINC001600673480 1168244287 /nfs/dbraw/zinc/24/42/87/1168244287.db2.gz FTWWNWNWJMOJCZ-QMMMGPOBSA-N -2 3 303.340 0.121 20 0 DCADHL Cc1nocc1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCCOC1 ZINC001600818112 1168474123 /nfs/dbraw/zinc/47/41/23/1168474123.db2.gz JOZOBDHVXVCOCY-NSHDSACASA-N -2 3 304.324 0.285 20 0 DCADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCc1ncccc1[O-] ZINC001600836892 1168481041 /nfs/dbraw/zinc/48/10/41/1168481041.db2.gz OOCJZAYFAGVGHI-UHFFFAOYSA-N -2 3 312.303 0.865 20 0 DCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@H]1C(=O)[O-] ZINC001600891541 1168496375 /nfs/dbraw/zinc/49/63/75/1168496375.db2.gz WPAGMTJOQZSZKO-JTQLQIEISA-N -2 3 316.317 0.850 20 0 DCADHL O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601408817 1168734950 /nfs/dbraw/zinc/73/49/50/1168734950.db2.gz LSCCVNDXCLIRTO-ONGXEEELSA-N -2 3 321.333 0.812 20 0 DCADHL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1c[n-]ncc1=O)CCO2 ZINC001601445236 1168749932 /nfs/dbraw/zinc/74/99/32/1168749932.db2.gz YAIAXQHTNOLAQN-ZYTOWTHASA-N -2 3 307.306 0.324 20 0 DCADHL O=C([O-])c1cc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c[nH]1 ZINC001601550055 1168780935 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O=C([O-])COCC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001602077466 1168988748 /nfs/dbraw/zinc/98/87/48/1168988748.db2.gz JUUYZGXWVKLEJP-UHFFFAOYSA-N -2 3 318.285 0.994 20 0 DCADHL O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001602211605 1169032848 /nfs/dbraw/zinc/03/28/48/1169032848.db2.gz VZUHCERDJKEJSO-MRVPVSSYSA-N -2 3 313.260 0.994 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)C[C@@H]2CCCO2)o1 ZINC001602397862 1169070945 /nfs/dbraw/zinc/07/09/45/1169070945.db2.gz LCPLYGQMSDSUNW-BDAKNGLRSA-N -2 3 319.335 0.186 20 0 DCADHL O=C([O-])c1ccccc1CS(=O)(=O)[N-]CC1OCCCO1 ZINC001602470004 1169082351 /nfs/dbraw/zinc/08/23/51/1169082351.db2.gz SSKDFPYHYATZST-UHFFFAOYSA-N -2 3 315.347 0.567 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1([C@H]2CCCCO2)CC1 ZINC001602507922 1169102792 /nfs/dbraw/zinc/10/27/92/1169102792.db2.gz PRHCLBPIYUHXSD-SECBINFHSA-N -2 3 315.351 0.488 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)c1 ZINC001602556916 1169116494 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322.350 0.113 20 0 DCADHL CC(C)O[N-]C(=O)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603357635 1169300903 /nfs/dbraw/zinc/30/09/03/1169300903.db2.gz VKNZFVLQOQZWHV-UHFFFAOYSA-N -2 3 308.273 0.401 20 0 DCADHL CC(C)O[N-]C(=O)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603357635 1169300915 /nfs/dbraw/zinc/30/09/15/1169300915.db2.gz VKNZFVLQOQZWHV-UHFFFAOYSA-N -2 3 308.273 0.401 20 0 DCADHL CC1(C(=O)[O-])CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603751541 1169379387 /nfs/dbraw/zinc/37/93/87/1169379387.db2.gz JVTMMBAITLKVAM-UHFFFAOYSA-N -2 3 317.305 0.179 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001604229681 1169530074 /nfs/dbraw/zinc/53/00/74/1169530074.db2.gz BQGBRZQIQZTHIV-UHFFFAOYSA-N -2 3 320.309 0.272 20 0 DCADHL CCCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001604229681 1169530079 /nfs/dbraw/zinc/53/00/79/1169530079.db2.gz BQGBRZQIQZTHIV-UHFFFAOYSA-N -2 3 320.309 0.272 20 0 DCADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001604489225 1169603614 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CCC[C@H](CCO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000716857234 977860477 /nfs/dbraw/zinc/86/04/77/977860477.db2.gz QEHBLXCZCSTBMN-SSDOTTSWSA-N -2 3 308.381 0.671 20 0 DCADHL C[C@@H](NC(=O)C1(C(=O)[O-])CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001592994225 980201399 /nfs/dbraw/zinc/20/13/99/980201399.db2.gz SFMUTURUDRMGOZ-RKDXNWHRSA-N -2 3 321.333 0.731 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)NC ZINC001595310754 980469710 /nfs/dbraw/zinc/46/97/10/980469710.db2.gz MGPSHFJIQDHGNM-MRVPVSSYSA-N -2 3 304.324 0.089 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(OC)OC ZINC001595311068 980470528 /nfs/dbraw/zinc/47/05/28/980470528.db2.gz QIWYVRMMYHOIBK-QMMMGPOBSA-N -2 3 307.324 0.654 20 0 DCADHL CC[C@H](C(=O)[O-])C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001594745569 981632686 /nfs/dbraw/zinc/63/26/86/981632686.db2.gz VRCHHFZUOPTMGR-JTQLQIEISA-N -2 3 308.338 0.250 20 0 DCADHL CCCC[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(=O)OC ZINC001595642212 981971179 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C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001589468543 986932126 /nfs/dbraw/zinc/93/21/26/986932126.db2.gz JHYXZWVVLOHGPZ-LURJTMIESA-N -3 3 303.292 0.509 20 0 DCADHL C/C=C\C[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OCC ZINC001594684814 987050569 /nfs/dbraw/zinc/05/05/69/987050569.db2.gz UDHHGWKOQPABJW-TZGMSPROSA-N -2 3 319.379 0.669 20 0 DCADHL CCS(=O)(CC)=NS(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC001597246031 987226794 /nfs/dbraw/zinc/22/67/94/987226794.db2.gz OEIOMFZQQKTVEJ-VIFPVBQESA-N -2 3 318.392 0.532 20 0 DCADHL Cc1n[nH]c(C(=O)N[C@@H](C)CNC(=O)c2ccccc2[O-])c1[O-] ZINC001386658187 987279118 /nfs/dbraw/zinc/27/91/18/987279118.db2.gz WDCLAZBJTSLJHK-QMMMGPOBSA-N -2 3 318.333 0.678 20 0 DCADHL CSC[C@H](CCO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599793463 988050637 /nfs/dbraw/zinc/05/06/37/988050637.db2.gz JWLODKIURSSFAR-QMMMGPOBSA-N -2 3 323.392 0.679 20 0 DCADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])CC(=O)[O-] ZINC001590774287 990577057 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C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1nccn1C ZINC001593330338 994893148 /nfs/dbraw/zinc/89/31/48/994893148.db2.gz HJKCJSHPMWVEDB-LURJTMIESA-N -2 3 300.296 0.146 20 0 DCADHL COC(=O)CCS(=O)(=O)[N-]c1cc(O)ccc1C(=O)[O-] ZINC001598853281 996621748 /nfs/dbraw/zinc/62/17/48/996621748.db2.gz AZNRMLLJABADRK-UHFFFAOYSA-N -2 3 303.292 0.395 20 0 DCADHL COCC[C@](C)(O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599210033 997482427 /nfs/dbraw/zinc/48/24/27/997482427.db2.gz YRCYYJJPWBOBQE-NSHDSACASA-N -2 3 307.324 0.044 20 0 DCADHL CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599139174 998096352 /nfs/dbraw/zinc/09/63/52/998096352.db2.gz KJSATZWOOZEBLR-WPRPVWTQSA-N -2 3 319.335 0.308 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1cc(C(=O)[O-])co1 ZINC001594113582 998226221 /nfs/dbraw/zinc/22/62/21/998226221.db2.gz LUMUYRKFSCJAAP-OTDNITJGSA-N -2 3 305.290 0.619 20 0 DCADHL COC(=O)c1ccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)[n-]1 ZINC001598960316 998316542 /nfs/dbraw/zinc/31/65/42/998316542.db2.gz GLFBULPRDPZCEG-UHFFFAOYSA-N -2 3 324.318 0.922 20 0 DCADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)/C=C\C(=O)[O-])c1 ZINC001599014060 998923585 /nfs/dbraw/zinc/92/35/85/998923585.db2.gz SYANMDIGOALMRJ-KFOINNEUSA-N -2 3 319.360 0.842 20 0 DCADHL COC(=O)c1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c(C)o1 ZINC001434230046 1009681907 /nfs/dbraw/zinc/68/19/07/1009681907.db2.gz BEEUNENUQBNPBK-UHFFFAOYSA-N -2 3 307.262 0.506 20 0 DCADHL COC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1nnn[n-]1 ZINC001434362330 1009829935 /nfs/dbraw/zinc/82/99/35/1009829935.db2.gz CXFYVTNQFGHXGB-SECBINFHSA-N -2 3 311.729 0.605 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001558077974 1012317782 /nfs/dbraw/zinc/31/77/82/1012317782.db2.gz GBMBRXXLBLDMDF-VIFPVBQESA-N -2 3 316.321 0.493 20 0 DCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)N(C)C1CCCCC1 ZINC001606325747 1170159807 /nfs/dbraw/zinc/15/98/07/1170159807.db2.gz OTUKJOJQCBNQIG-JTQLQIEISA-N -2 3 322.383 0.102 20 0 DCADHL 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/nfs/dbraw/zinc/17/27/54/296172754.db2.gz NXJAEYDYDNZXQS-SECBINFHSA-N -2 3 309.709 0.422 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)[O-] ZINC000035186396 395719409 /nfs/dbraw/zinc/71/94/09/395719409.db2.gz REBWZIREQXRUQB-MRVPVSSYSA-N -2 3 321.326 0.984 20 0 DCADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C)C(=O)[O-])cc1OC ZINC000036969014 395725305 /nfs/dbraw/zinc/72/53/05/395725305.db2.gz AXVKJCKUNRSLTH-ZCFIWIBFSA-N -2 3 307.299 0.594 20 0 DCADHL Cn1cc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000108274706 395786967 /nfs/dbraw/zinc/78/69/67/395786967.db2.gz HGEFNSBDZVYWCX-UHFFFAOYSA-N -2 3 315.376 0.701 20 0 DCADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])cc1OC ZINC000054334081 395897907 /nfs/dbraw/zinc/89/79/07/395897907.db2.gz XAAZBQPVYSOPRV-ZETCQYMHSA-N -2 3 321.326 0.842 20 0 DCADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134722679 395933778 /nfs/dbraw/zinc/93/37/78/395933778.db2.gz HGDJTIDPITTZOK-UHFFFAOYSA-N -2 3 317.348 0.925 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])cn1C ZINC000261745012 396061533 /nfs/dbraw/zinc/06/15/33/396061533.db2.gz SMPSEQFAOQCZLP-LBPRGKRZSA-N -2 3 323.374 0.703 20 0 DCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(C)(C)C(=O)[O-] ZINC000262182266 396107767 /nfs/dbraw/zinc/10/77/67/396107767.db2.gz GNQIVJIYVLZCKR-ZETCQYMHSA-N -2 3 320.392 0.394 20 0 DCADHL CCCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000262232586 396113981 /nfs/dbraw/zinc/11/39/81/396113981.db2.gz AKFAQLINXFCDJI-UHFFFAOYSA-N -2 3 318.351 0.433 20 0 DCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)C(=O)[O-] ZINC000262349827 396128558 /nfs/dbraw/zinc/12/85/58/396128558.db2.gz AVMQIPWKZREQLF-LURJTMIESA-N -2 3 305.308 0.380 20 0 DCADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000262380417 396132921 /nfs/dbraw/zinc/13/29/21/396132921.db2.gz KJEBQRHKIVPGIP-MRVPVSSYSA-N -2 3 321.326 0.602 20 0 DCADHL CS(=O)(=O)[N-]c1cc(C(=O)NC2(C(=O)[O-])CC2)ccc1F ZINC000263151548 396203543 /nfs/dbraw/zinc/20/35/43/396203543.db2.gz LYEUSVRDCCJPQY-UHFFFAOYSA-N -2 3 316.310 0.544 20 0 DCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000264433450 396279803 /nfs/dbraw/zinc/27/98/03/396279803.db2.gz ANCNMSXCXKUFGQ-ZETCQYMHSA-N -2 3 322.726 0.030 20 0 DCADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1 ZINC000263454145 396217244 /nfs/dbraw/zinc/21/72/44/396217244.db2.gz BMXLBSUSMZMFQN-LLVKDONJSA-N -2 3 323.754 0.463 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000285299642 396348859 /nfs/dbraw/zinc/34/88/59/396348859.db2.gz YBIUCTARHAJUCK-VIFPVBQESA-N -2 3 320.367 0.838 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-] ZINC000287691844 396416724 /nfs/dbraw/zinc/41/67/24/396416724.db2.gz XDPIDQQCOSYVQV-MRVPVSSYSA-N -2 3 321.786 0.914 20 0 DCADHL Cc1c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cnn1C ZINC000291804510 396513034 /nfs/dbraw/zinc/51/30/34/396513034.db2.gz BWSKUBHSYHGWFN-ZCFIWIBFSA-N -2 3 315.273 0.412 20 0 DCADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000290687744 396469951 /nfs/dbraw/zinc/46/99/51/396469951.db2.gz QTIACSHMYMQONU-JTQLQIEISA-N -2 3 305.327 0.902 20 0 DCADHL COC[C@@](C)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000328542758 396822708 /nfs/dbraw/zinc/82/27/08/396822708.db2.gz JPVNJHIEMRHKRG-CQSZACIVSA-N -2 3 321.289 0.181 20 0 DCADHL CCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nnn[n-]1 ZINC000571416446 396950245 /nfs/dbraw/zinc/95/02/45/396950245.db2.gz LYDZBDOIEQMZDA-QMMMGPOBSA-N -2 3 303.326 0.844 20 0 DCADHL CCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nn[n-]n1 ZINC000571416446 396950254 /nfs/dbraw/zinc/95/02/54/396950254.db2.gz LYDZBDOIEQMZDA-QMMMGPOBSA-N -2 3 303.326 0.844 20 0 DCADHL Cc1nc(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])cn1C ZINC000592448171 397181884 /nfs/dbraw/zinc/18/18/84/397181884.db2.gz LCAHSEQBBXPTQA-MRVPVSSYSA-N -2 3 321.424 0.461 20 0 DCADHL CC(=O)c1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1[O-] ZINC000613474437 397263857 /nfs/dbraw/zinc/26/38/57/397263857.db2.gz HVIVXSBVMUHRGC-MRVPVSSYSA-N -2 3 303.322 0.984 20 0 DCADHL CC(=O)c1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1[O-] ZINC000613474437 397263862 /nfs/dbraw/zinc/26/38/62/397263862.db2.gz HVIVXSBVMUHRGC-MRVPVSSYSA-N -2 3 303.322 0.984 20 0 DCADHL CC(C)(C(=O)[O-])C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000577495759 397336913 /nfs/dbraw/zinc/33/69/13/397336913.db2.gz CORGJOVHZQHNFS-HNNXBMFYSA-N -2 3 319.317 0.791 20 0 DCADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n1 ZINC000593923428 397481516 /nfs/dbraw/zinc/48/15/16/397481516.db2.gz BRUHOUFXABRZOO-CYBMUJFWSA-N -2 3 308.294 0.270 20 0 DCADHL COC(=O)Cc1nnc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)[n-]1 ZINC000593923428 397481523 /nfs/dbraw/zinc/48/15/23/397481523.db2.gz BRUHOUFXABRZOO-CYBMUJFWSA-N -2 3 308.294 0.270 20 0 DCADHL COC(=O)Cc1nc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n[n-]1 ZINC000593923428 397481529 /nfs/dbraw/zinc/48/15/29/397481529.db2.gz BRUHOUFXABRZOO-CYBMUJFWSA-N -2 3 308.294 0.270 20 0 DCADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC000606931392 397691050 /nfs/dbraw/zinc/69/10/50/397691050.db2.gz KLJFFCWKLPDAQS-LLVKDONJSA-N -2 3 318.333 0.592 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)cn1C ZINC000050253070 158012242 /nfs/dbraw/zinc/01/22/42/158012242.db2.gz ROTJQAYRGOHGGT-LBPRGKRZSA-N -2 3 309.347 0.833 20 0 DCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc1 ZINC000054501321 158021094 /nfs/dbraw/zinc/02/10/94/158021094.db2.gz CQDCJYWSZCGFPF-NSHDSACASA-N -2 3 312.347 0.651 20 0 DCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])c1 ZINC000274955385 415369458 /nfs/dbraw/zinc/36/94/58/415369458.db2.gz GXMUKNFSKVQLAI-JTQLQIEISA-N -2 3 303.384 0.928 20 0 DCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccncc2F)s1 ZINC000355595047 415863769 /nfs/dbraw/zinc/86/37/69/415863769.db2.gz POOZAHUWVSQENK-UHFFFAOYSA-N -2 3 317.327 0.696 20 0 DCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c1 ZINC000299207057 416059585 /nfs/dbraw/zinc/05/95/85/416059585.db2.gz KECHQXVABQZASX-LURJTMIESA-N -2 3 305.283 0.364 20 0 DCADHL COCc1nc(=NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)s[n-]1 ZINC000345773339 416149011 /nfs/dbraw/zinc/14/90/11/416149011.db2.gz OKBVDDCDZJTQJP-UHFFFAOYSA-N -2 3 318.314 0.242 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)N(C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000263571541 416338272 /nfs/dbraw/zinc/33/82/72/416338272.db2.gz JNHRIKRLZQXYSG-SNVBAGLBSA-N -2 3 308.334 0.752 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000532689998 416449796 /nfs/dbraw/zinc/44/97/96/416449796.db2.gz NFHOUHHHBOMHJY-UHFFFAOYSA-N -2 3 304.262 0.349 20 0 DCADHL CC(C)(C)OCC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000565421889 416976028 /nfs/dbraw/zinc/97/60/28/416976028.db2.gz YOWSGYMQYSHISQ-QMMMGPOBSA-N -2 3 305.356 0.346 20 0 DCADHL C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565949272 417036874 /nfs/dbraw/zinc/03/68/74/417036874.db2.gz NQJBRRPIEVMKGY-ZETCQYMHSA-N -2 3 322.408 0.917 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000575985494 417568906 /nfs/dbraw/zinc/56/89/06/417568906.db2.gz OBRBFYABPZYKGD-BBBLOLIVSA-N -2 3 301.320 0.824 20 0 DCADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])cn1C ZINC000530420606 417574919 /nfs/dbraw/zinc/57/49/19/417574919.db2.gz FAADMGRVJDJUHG-JTQLQIEISA-N -2 3 301.368 0.650 20 0 DCADHL CO[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H](C(=O)[O-])C1 ZINC000577125772 417666966 /nfs/dbraw/zinc/66/69/66/417666966.db2.gz NLCHUTSESUQBDF-JOYOIKCWSA-N -2 3 304.306 0.662 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)N(C)CCC(=O)[O-])c1ccco1 ZINC000645971706 417835268 /nfs/dbraw/zinc/83/52/68/417835268.db2.gz YKZDBUIQSSQQJQ-VIFPVBQESA-N -2 3 306.340 0.208 20 0 DCADHL C[C@@]([N-]S(=O)(=O)c1cnn2c1OCCC2)(C(=O)[O-])C1CC1 ZINC000646026838 417852915 /nfs/dbraw/zinc/85/29/15/417852915.db2.gz RFLQLAODZSSLQU-LBPRGKRZSA-N -2 3 315.351 0.197 20 0 DCADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1 ZINC000646053242 417861539 /nfs/dbraw/zinc/86/15/39/417861539.db2.gz AFUZPRQYGLPNTO-OTSSQURYSA-N -2 3 303.311 0.976 20 0 DCADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663254719 418005571 /nfs/dbraw/zinc/00/55/71/418005571.db2.gz MFQBLUYGSKXMDW-SNVBAGLBSA-N -2 3 301.368 0.682 20 0 DCADHL C[C@]1(C[C@H]2CCCN2c2ccc(C(=O)[O-])cn2)NC(=O)[N-]C1=O ZINC000647454804 418011679 /nfs/dbraw/zinc/01/16/79/418011679.db2.gz AGFGCRVZNRRFSV-MEBBXXQBSA-N -2 3 318.333 0.737 20 0 DCADHL COC[C@H](CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)OC ZINC000663428427 418019230 /nfs/dbraw/zinc/01/92/30/418019230.db2.gz RQWBDSMVUKYLOI-VIFPVBQESA-N -2 3 321.351 0.616 20 0 DCADHL C[C@H](C(=O)[O-])C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000647166719 417994967 /nfs/dbraw/zinc/99/49/67/417994967.db2.gz AUWTXIDBEQRVMG-XVKPBYJWSA-N -2 3 305.290 0.096 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ncccn2)C(=O)[O-])o1 ZINC000650429031 418309603 /nfs/dbraw/zinc/30/96/03/418309603.db2.gz ZYQMSRHIMXJBNF-SECBINFHSA-N -2 3 311.319 0.352 20 0 DCADHL C[C@@]1(C[C@H]2CCCN2c2ccnc(C(=O)[O-])c2)NC(=O)[N-]C1=O ZINC000650770956 418323379 /nfs/dbraw/zinc/32/33/79/418323379.db2.gz IWUXKWXCRSRNSA-BMIGLBTASA-N -2 3 318.333 0.737 20 0 DCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000656160054 418331518 /nfs/dbraw/zinc/33/15/18/418331518.db2.gz IIGWQVFVNUKMAW-MRVPVSSYSA-N -2 3 321.326 0.602 20 0 DCADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC000656163895 418332594 /nfs/dbraw/zinc/33/25/94/418332594.db2.gz CZRRHCCVIRQELZ-MRVPVSSYSA-N -2 3 309.290 0.925 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]Cc1nocc1C(=O)[O-] ZINC000656164552 418332695 /nfs/dbraw/zinc/33/26/95/418332695.db2.gz LMUHNMBILDPMDB-UHFFFAOYSA-N -2 3 301.280 0.456 20 0 DCADHL CCC1CCN(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])CC1 ZINC000656627179 418366598 /nfs/dbraw/zinc/36/65/98/418366598.db2.gz TYYXEARWZDLWBV-UHFFFAOYSA-N -2 3 316.383 0.897 20 0 DCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccccc2[O-])n1 ZINC000657023650 418404527 /nfs/dbraw/zinc/40/45/27/418404527.db2.gz WQFWCYHBGDNZKQ-UHFFFAOYSA-N -2 3 311.367 0.612 20 0 DCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000354484249 261225082 /nfs/dbraw/zinc/22/50/82/261225082.db2.gz CRCACYPIDQPEJD-UHFFFAOYSA-N -2 3 321.243 0.560 20 0 DCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cncnc2)ccc1[O-] ZINC000362217466 262010953 /nfs/dbraw/zinc/01/09/53/262010953.db2.gz RONJUQIDNUBUAT-UHFFFAOYSA-N -2 3 308.319 0.941 20 0 DCADHL CC(C)n1cnc(S(=O)(=O)[N-]CCSCC(=O)[O-])c1 ZINC000547589962 288060706 /nfs/dbraw/zinc/06/07/06/288060706.db2.gz WZYXDIOYQHXHIZ-UHFFFAOYSA-N -2 3 307.397 0.560 20 0 DCADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000547920503 288092244 /nfs/dbraw/zinc/09/22/44/288092244.db2.gz WEVDJJBMVUHORA-MRVPVSSYSA-N -2 3 307.397 0.295 20 0 DCADHL CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000563883055 288711248 /nfs/dbraw/zinc/71/12/48/288711248.db2.gz KCOWBSNWBBIIHB-YUMQZZPRSA-N -2 3 320.392 0.935 20 0 DCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262431553 303492651 /nfs/dbraw/zinc/49/26/51/303492651.db2.gz RRLLNZKNZSUVNQ-PRJMDXOYSA-N -2 3 322.321 0.328 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000170306740 332850580 /nfs/dbraw/zinc/85/05/80/332850580.db2.gz SBGPPKSQXLHCGO-NSHDSACASA-N -3 3 320.323 0.135 20 0 DCADHL Cc1nc(C2([N-]S(=O)(=O)CCCC(=O)[O-])CCCC2)no1 ZINC000571321419 333734087 /nfs/dbraw/zinc/73/40/87/333734087.db2.gz YPQUGIOZLLCRJO-UHFFFAOYSA-N -2 3 317.367 0.932 20 0 DCADHL CC[C@](C)([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)OC ZINC001604913529 1159791384 /nfs/dbraw/zinc/79/13/84/1159791384.db2.gz BNHPUXARZQJSAJ-JTQLQIEISA-N -2 3 322.364 0.461 20 0 DCADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)C(=O)OC ZINC001604954460 1159791810 /nfs/dbraw/zinc/79/18/10/1159791810.db2.gz IBJJCOUHYSRFTQ-ZJUUUORDSA-N -2 3 321.395 0.891 20 0 DCADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000296800009 534074892 /nfs/dbraw/zinc/07/48/92/534074892.db2.gz BNSGVTYPXCLEEB-YFKPBYRVSA-N -2 3 319.726 0.875 20 0 DCADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000159629620 526300743 /nfs/dbraw/zinc/30/07/43/526300743.db2.gz MHUJRCZSVPPWKQ-QMMMGPOBSA-N -2 3 311.718 0.593 20 0 DCADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000377131733 527583409 /nfs/dbraw/zinc/58/34/09/527583409.db2.gz HEJFJNLGWYDLDN-UHFFFAOYSA-N -2 3 301.368 0.753 20 0 DCADHL CCn1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1 ZINC000404475746 546227200 /nfs/dbraw/zinc/22/72/00/546227200.db2.gz WNSNGVUVRKFPTJ-UHFFFAOYSA-N -2 3 314.323 0.376 20 0 DCADHL Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)cc1F ZINC000669668706 547004437 /nfs/dbraw/zinc/00/44/37/547004437.db2.gz SWTYGVHCZDOBGO-GFCCVEGCSA-N -2 3 321.301 0.795 20 0 DCADHL O=C(c1c([O-])cc(F)cc1F)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000675278975 547672310 /nfs/dbraw/zinc/67/23/10/547672310.db2.gz FOMWTQGOBWPAKY-MRVPVSSYSA-N -2 3 311.244 0.047 20 0 DCADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000681578172 548266179 /nfs/dbraw/zinc/26/61/79/548266179.db2.gz CICBGAYNXRATAA-PSASIEDQSA-N -2 3 319.383 0.426 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cnoc1 ZINC000737301398 598931665 /nfs/dbraw/zinc/93/16/65/598931665.db2.gz LSJSYBUHCUEPDB-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnoc1 ZINC000737301398 598931666 /nfs/dbraw/zinc/93/16/66/598931666.db2.gz LSJSYBUHCUEPDB-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735680305 598974040 /nfs/dbraw/zinc/97/40/40/598974040.db2.gz TWCSCFBVRPMEHP-UHFFFAOYSA-N -2 3 321.362 0.946 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735680305 598974042 /nfs/dbraw/zinc/97/40/42/598974042.db2.gz TWCSCFBVRPMEHP-UHFFFAOYSA-N -2 3 321.362 0.946 20 0 DCADHL CN(C)CCN(CC(=O)[O-])C(=O)c1cc(F)c(F)c([O-])c1F ZINC000318170700 597670391 /nfs/dbraw/zinc/67/03/91/597670391.db2.gz UHOROSYLHBLSGY-UHFFFAOYSA-N -2 3 320.267 0.898 20 0 DCADHL Cc1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737502533 598664033 /nfs/dbraw/zinc/66/40/33/598664033.db2.gz XBCHLVXAECEBKX-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737502533 598664035 /nfs/dbraw/zinc/66/40/35/598664035.db2.gz XBCHLVXAECEBKX-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037789761 599772489 /nfs/dbraw/zinc/77/24/89/599772489.db2.gz UPWJQRMZDPOWJI-QMMMGPOBSA-N -2 3 316.335 0.267 20 0 DCADHL O=C([O-])Cn1cc([N-]S(=O)(=O)CCc2ccccc2)cn1 ZINC000038030408 600528973 /nfs/dbraw/zinc/52/89/73/600528973.db2.gz YCUKWXWHXWRHRG-UHFFFAOYSA-N -2 3 309.347 0.952 20 0 DCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000737572913 600647006 /nfs/dbraw/zinc/64/70/06/600647006.db2.gz HLJNHBZTAJGHIZ-NSHDSACASA-N -2 3 315.347 0.431 20 0 DCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000826492617 607462789 /nfs/dbraw/zinc/46/27/89/607462789.db2.gz UYMDCRAYIMAILF-UHFFFAOYSA-N -2 3 309.286 0.530 20 0 DCADHL CC(C)C[C@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000826768913 600774684 /nfs/dbraw/zinc/77/46/84/600774684.db2.gz UPYLSVIKWHWMLC-GFCCVEGCSA-N -2 3 322.361 0.985 20 0 DCADHL CC(C)(C)[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000736243877 600906851 /nfs/dbraw/zinc/90/68/51/600906851.db2.gz KRTRGHNAAKZQOA-SNVBAGLBSA-N -2 3 304.302 0.799 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nncn2C)cc1C(=O)[O-] ZINC000833027126 601217277 /nfs/dbraw/zinc/21/72/77/601217277.db2.gz CGDRQKYRPSGUHD-ZCFIWIBFSA-N -2 3 314.323 0.454 20 0 DCADHL Cn1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1C(=O)[O-] ZINC000833052503 601322459 /nfs/dbraw/zinc/32/24/59/601322459.db2.gz XTKNXIGGDDDRMH-UHFFFAOYSA-N -2 3 313.269 0.859 20 0 DCADHL O=C([O-])CC1(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCC1 ZINC000833203976 601438705 /nfs/dbraw/zinc/43/87/05/601438705.db2.gz LZHQNIDZCKPIKM-UHFFFAOYSA-N -2 3 302.286 0.697 20 0 DCADHL O=C([O-])C[C@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCO1 ZINC000767182326 601668274 /nfs/dbraw/zinc/66/82/74/601668274.db2.gz IIGIGWAAGKDFLV-VIFPVBQESA-N -2 3 317.301 0.651 20 0 DCADHL O=C([O-])C1(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCCC1 ZINC000833134841 601708814 /nfs/dbraw/zinc/70/88/14/601708814.db2.gz KGXKANHISOGJST-UHFFFAOYSA-N -2 3 316.313 0.945 20 0 DCADHL O=C([O-])N1CC[C@H](COC(=O)CNC(=O)c2ccc([O-])cc2)C1 ZINC000831492329 603803791 /nfs/dbraw/zinc/80/37/91/603803791.db2.gz AGLONDJZNUJDIS-JTQLQIEISA-N -2 3 322.317 0.665 20 0 DCADHL O=C([O-])N1CC(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000831541733 603972287 /nfs/dbraw/zinc/97/22/87/603972287.db2.gz FBMFPFIBXKQQKB-UHFFFAOYSA-N -2 3 318.293 0.184 20 0 DCADHL O=C([O-])N1CC(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000831541733 603972288 /nfs/dbraw/zinc/97/22/88/603972288.db2.gz FBMFPFIBXKQQKB-UHFFFAOYSA-N -2 3 318.293 0.184 20 0 DCADHL C[C@@H](CN(C)C(=O)[O-])C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000824854213 604216599 /nfs/dbraw/zinc/21/65/99/604216599.db2.gz HUVJWJSLJJJCCP-JTQLQIEISA-N -2 3 323.349 0.484 20 0 DCADHL CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833488396 605031311 /nfs/dbraw/zinc/03/13/11/605031311.db2.gz OLRPRDOIJXUVHC-VIFPVBQESA-N -2 3 321.351 0.290 20 0 DCADHL CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(C)C ZINC000833719604 605045634 /nfs/dbraw/zinc/04/56/34/605045634.db2.gz ROHBJUFRZNMRNX-JGVFFNPUSA-N -2 3 320.392 0.933 20 0 DCADHL CC[C@H](NC(=O)[O-])C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000827525068 605153875 /nfs/dbraw/zinc/15/38/75/605153875.db2.gz WAGKSWXLGCZHQU-NSHDSACASA-N -2 3 309.322 0.284 20 0 DCADHL O=C([O-])NCc1nnnn1Cc1noc(-c2ccccc2[O-])n1 ZINC000832744900 605180350 /nfs/dbraw/zinc/18/03/50/605180350.db2.gz PQDUUUMCYWDJBS-UHFFFAOYSA-N -2 3 317.265 0.245 20 0 DCADHL O=C([O-])N1CC(CNC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000834288514 605721912 /nfs/dbraw/zinc/72/19/12/605721912.db2.gz GJUWOYFOVMZFJW-SDQBBNPISA-N -2 3 301.302 0.497 20 0 DCADHL CC(C)C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000819966968 605763575 /nfs/dbraw/zinc/76/35/75/605763575.db2.gz JOEPAQULLTXQLW-LBPRGKRZSA-N -2 3 308.334 0.738 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1=CCCC1 ZINC000823285275 606759057 /nfs/dbraw/zinc/75/90/57/606759057.db2.gz OWOFOLFXGXWHHR-UHFFFAOYSA-N -2 3 319.346 0.782 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1=CCCC1 ZINC000823285275 606759058 /nfs/dbraw/zinc/75/90/58/606759058.db2.gz OWOFOLFXGXWHHR-UHFFFAOYSA-N -2 3 319.346 0.782 20 0 DCADHL CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821087913 606915695 /nfs/dbraw/zinc/91/56/95/606915695.db2.gz HNIFZVLBSHZMAC-UHFFFAOYSA-N -2 3 324.366 0.183 20 0 DCADHL CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821087913 606915697 /nfs/dbraw/zinc/91/56/97/606915697.db2.gz HNIFZVLBSHZMAC-UHFFFAOYSA-N -2 3 324.366 0.183 20 0 DCADHL CCN(CC(=O)[O-])C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821170505 607104667 /nfs/dbraw/zinc/10/46/67/607104667.db2.gz RLZRIINMZGRQCQ-UHFFFAOYSA-N -2 3 305.294 0.179 20 0 DCADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824795969 607776557 /nfs/dbraw/zinc/77/65/57/607776557.db2.gz KDWPOOLEYKMCME-JTQLQIEISA-N -2 3 321.362 0.718 20 0 DCADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824795969 607776558 /nfs/dbraw/zinc/77/65/58/607776558.db2.gz KDWPOOLEYKMCME-JTQLQIEISA-N -2 3 321.362 0.718 20 0 DCADHL CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000068406215 665421645 /nfs/dbraw/zinc/42/16/45/665421645.db2.gz NIPCQSQTPYYJID-UHFFFAOYSA-N -2 3 301.368 0.388 20 0 DCADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776589471 659479606 /nfs/dbraw/zinc/47/96/06/659479606.db2.gz VDYJPGQWTZMJOW-QMMMGPOBSA-N -2 3 320.754 0.836 20 0 DCADHL NC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1 ZINC000047454527 661632712 /nfs/dbraw/zinc/63/27/12/661632712.db2.gz UBHGOAYPENLRHX-UHFFFAOYSA-N -2 3 311.363 0.285 20 0 DCADHL CCC(=O)[N-][N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000070825744 665934036 /nfs/dbraw/zinc/93/40/36/665934036.db2.gz ABDKKTUZMFGOJY-UHFFFAOYSA-N -2 3 301.324 0.931 20 0 DCADHL O=C([N-]OCC(F)(F)F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000766765616 668544921 /nfs/dbraw/zinc/54/49/21/668544921.db2.gz SOOMIOQUJVATIG-UHFFFAOYSA-N -2 3 304.184 0.660 20 0 DCADHL O=C(c1ccc([O-])cc1F)N1CCSC[C@H]1c1nnn[n-]1 ZINC000776563745 668877697 /nfs/dbraw/zinc/87/76/97/668877697.db2.gz JYSMWQFNLWCYQO-JTQLQIEISA-N -2 3 309.326 0.975 20 0 DCADHL O=C(c1ccc([O-])cc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776563745 668877698 /nfs/dbraw/zinc/87/76/98/668877698.db2.gz JYSMWQFNLWCYQO-JTQLQIEISA-N -2 3 309.326 0.975 20 0 DCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])c(F)c1 ZINC000809225469 670444263 /nfs/dbraw/zinc/44/42/63/670444263.db2.gz NYXOXNJQUFCGNU-NSCUHMNNSA-N -2 3 317.294 0.531 20 0 DCADHL CCn1ncn([N-]C(=O)c2cnc3nc(C)ccc3c2[O-])c1=O ZINC000816737231 670854740 /nfs/dbraw/zinc/85/47/40/670854740.db2.gz DZFAWJLCMNKSLI-UHFFFAOYSA-N -2 3 314.305 0.406 20 0 DCADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)[N-]OCC1CC1 ZINC000817335092 670912583 /nfs/dbraw/zinc/91/25/83/670912583.db2.gz WCIARMKKZUHQSE-UHFFFAOYSA-N -2 3 315.333 0.948 20 0 DCADHL Cc1cccc([N-]S(=O)(=O)c2ccnn2C)c1-c1nn[n-]n1 ZINC000826299848 671482991 /nfs/dbraw/zinc/48/29/91/671482991.db2.gz YBTBYINNYUHZJU-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826322550 671483576 /nfs/dbraw/zinc/48/35/76/671483576.db2.gz RNIVLTNLGKRXRO-UHFFFAOYSA-N -2 3 323.313 0.838 20 0 DCADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000837293238 671855283 /nfs/dbraw/zinc/85/52/83/671855283.db2.gz FHYVVCDCSSWAEF-SNVBAGLBSA-N -2 3 301.295 0.762 20 0 DCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])s1 ZINC000844785698 685368701 /nfs/dbraw/zinc/36/87/01/685368701.db2.gz LLQPERANMBJUTO-LURJTMIESA-N -2 3 321.380 0.491 20 0 DCADHL O=C(N[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-] ZINC001006778250 690583950 /nfs/dbraw/zinc/58/39/50/690583950.db2.gz OEHXDDGSNKMZKO-SNVBAGLBSA-N -2 3 317.349 0.610 20 0 DCADHL CS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591679167 1159767503 /nfs/dbraw/zinc/76/75/03/1159767503.db2.gz UIEAZQHSKMYRBX-UHFFFAOYSA-N -2 3 301.715 0.210 20 0 DCADHL CS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591679167 1159767506 /nfs/dbraw/zinc/76/75/06/1159767506.db2.gz UIEAZQHSKMYRBX-UHFFFAOYSA-N -2 3 301.715 0.210 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)CC2(C(=O)[O-])CCOCC2)n1 ZINC001574128892 1163645210 /nfs/dbraw/zinc/64/52/10/1163645210.db2.gz ZXGUYVKVHQDJQS-UHFFFAOYSA-N -2 3 309.322 0.378 20 0 DCADHL O=C([O-])CC1([N-]S(=O)(=O)Cc2ccc(F)cc2F)COC1 ZINC001574365185 1163706456 /nfs/dbraw/zinc/70/64/56/1163706456.db2.gz POSVZOCAQTZDSW-UHFFFAOYSA-N -2 3 321.301 0.628 20 0 DCADHL O=C([O-])CC1([N-]S(=O)(=O)Cc2ccccc2F)COC1 ZINC001574365283 1163707301 /nfs/dbraw/zinc/70/73/01/1163707301.db2.gz SSQLTAGGKMJNQV-UHFFFAOYSA-N -2 3 303.311 0.489 20 0 DCADHL O=S(=O)(c1ncc[n-]1)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001582801934 1166086654 /nfs/dbraw/zinc/08/66/54/1166086654.db2.gz UOOKKGBGRUSCJF-UHFFFAOYSA-N -2 3 317.334 0.341 20 0 DCADHL CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589759523 1166683571 /nfs/dbraw/zinc/68/35/71/1166683571.db2.gz WESLWWLBMFAOIA-FPLPWBNLSA-N -2 3 321.362 0.734 20 0 DCADHL CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589759523 1166683577 /nfs/dbraw/zinc/68/35/77/1166683577.db2.gz WESLWWLBMFAOIA-FPLPWBNLSA-N -2 3 321.362 0.734 20 0 DCADHL CC(C)O[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001589749485 1166684128 /nfs/dbraw/zinc/68/41/28/1166684128.db2.gz AAGMOFBTPAHQJC-UHFFFAOYSA-N -2 3 324.728 0.915 20 0 DCADHL CC(C)O[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001589749485 1166684130 /nfs/dbraw/zinc/68/41/30/1166684130.db2.gz AAGMOFBTPAHQJC-UHFFFAOYSA-N -2 3 324.728 0.915 20 0 DCADHL CC1(S(=O)(=O)[N-]C(=O)c2csc(-c3nnn[n-]3)c2)CC1 ZINC001590153063 1166790219 /nfs/dbraw/zinc/79/02/19/1166790219.db2.gz PKAVFXZCNHWCRC-UHFFFAOYSA-N -2 3 313.364 0.540 20 0 DCADHL C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C(=O)[O-] ZINC001590267242 1166833051 /nfs/dbraw/zinc/83/30/51/1166833051.db2.gz MRGIDXMOWPVYDK-JGVFFNPUSA-N -2 3 304.310 0.378 20 0 DCADHL C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C(=O)[O-] ZINC001590267242 1166833054 /nfs/dbraw/zinc/83/30/54/1166833054.db2.gz MRGIDXMOWPVYDK-JGVFFNPUSA-N -2 3 304.310 0.378 20 0 DCADHL CCC1(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC001590500545 1166926113 /nfs/dbraw/zinc/92/61/13/1166926113.db2.gz WJVQLWRDZHKCDI-UHFFFAOYSA-N -2 3 324.366 0.207 20 0 DCADHL CCC1(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC001590500545 1166926117 /nfs/dbraw/zinc/92/61/17/1166926117.db2.gz WJVQLWRDZHKCDI-UHFFFAOYSA-N -2 3 324.366 0.207 20 0 DCADHL CCc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ncc[n-]1 ZINC001590877808 1167044001 /nfs/dbraw/zinc/04/40/01/1167044001.db2.gz DIVZPEAMXUCRBX-UHFFFAOYSA-N -2 3 320.334 0.920 20 0 DCADHL CCc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ncc[n-]1 ZINC001590877808 1167044007 /nfs/dbraw/zinc/04/40/07/1167044007.db2.gz DIVZPEAMXUCRBX-UHFFFAOYSA-N -2 3 320.334 0.920 20 0 DCADHL CO[C@@H]1C[C@H](CC(=O)[O-])N(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001591344565 1167225469 /nfs/dbraw/zinc/22/54/69/1167225469.db2.gz APLDJEBIULAMJV-NXEZZACHSA-N -2 3 318.337 0.639 20 0 DCADHL CO[C@@H]1C[C@H](CC(=O)[O-])N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001591344565 1167225473 /nfs/dbraw/zinc/22/54/73/1167225473.db2.gz APLDJEBIULAMJV-NXEZZACHSA-N -2 3 318.337 0.639 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001591386062 1167255335 /nfs/dbraw/zinc/25/53/35/1167255335.db2.gz FTHVDTHJAGDDIT-AWEZNQCLSA-N -2 3 321.312 0.933 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001591386062 1167255343 /nfs/dbraw/zinc/25/53/43/1167255343.db2.gz FTHVDTHJAGDDIT-AWEZNQCLSA-N -2 3 321.312 0.933 20 0 DCADHL Cc1cc(-c2nn[n-]n2)cc(C)c1CN1CCOC[C@@H]1C(=O)[O-] ZINC001591846029 1167393419 /nfs/dbraw/zinc/39/34/19/1167393419.db2.gz GXVWYQYRSVHONH-CYBMUJFWSA-N -2 3 317.349 0.769 20 0 DCADHL Cc1cc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)no1 ZINC001591958586 1167426340 /nfs/dbraw/zinc/42/63/40/1167426340.db2.gz SMJAPXLJFXMNKT-UHFFFAOYSA-N -2 3 300.278 0.816 20 0 DCADHL Cc1cc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)no1 ZINC001591958586 1167426343 /nfs/dbraw/zinc/42/63/43/1167426343.db2.gz SMJAPXLJFXMNKT-UHFFFAOYSA-N -2 3 300.278 0.816 20 0 DCADHL Cc1nnc(N2CC[C@@](C)(C(=O)[O-])C2)c(-c2nnn[n-]2)c1C ZINC001592447738 1167526819 /nfs/dbraw/zinc/52/68/19/1167526819.db2.gz AFMJPRODDVSEBO-CYBMUJFWSA-N -2 3 303.326 0.575 20 0 DCADHL Cc1nnc(N2CC[C@@](C)(C(=O)[O-])C2)c(-c2nn[n-]n2)c1C ZINC001592447738 1167526827 /nfs/dbraw/zinc/52/68/27/1167526827.db2.gz AFMJPRODDVSEBO-CYBMUJFWSA-N -2 3 303.326 0.575 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592813477 1167645175 /nfs/dbraw/zinc/64/51/75/1167645175.db2.gz JKUOUEHGGSWJIH-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL O=C(CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592813477 1167645177 /nfs/dbraw/zinc/64/51/77/1167645177.db2.gz JKUOUEHGGSWJIH-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL O=C([O-])[C@@H](C(=O)NCCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001593276607 1167751208 /nfs/dbraw/zinc/75/12/08/1167751208.db2.gz PUTQKXBESQRXPQ-GFCCVEGCSA-N -2 3 315.333 0.636 20 0 DCADHL O=C([O-])C1(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001593275425 1167751256 /nfs/dbraw/zinc/75/12/56/1167751256.db2.gz DLHYVDNVPYGNHO-NSHDSACASA-N -2 3 313.317 0.315 20 0 DCADHL O=c1cc(Cn2ccnc2C2CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538963 1167923687 /nfs/dbraw/zinc/92/36/87/1167923687.db2.gz DXKULLBECCATNB-UHFFFAOYSA-N -2 3 323.320 0.737 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC2)n1 ZINC001600065378 1168110617 /nfs/dbraw/zinc/11/06/17/1168110617.db2.gz UBVBCFVGSNCQOM-SNVBAGLBSA-N -2 3 322.365 0.640 20 0 DCADHL Cc1cnn(C)c1CN1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600635919 1168222138 /nfs/dbraw/zinc/22/21/38/1168222138.db2.gz UYILZICKYNRGOZ-VTWZXRTESA-N -2 3 307.350 0.726 20 0 DCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001600719923 1168261110 /nfs/dbraw/zinc/26/11/10/1168261110.db2.gz RAAWITXKERIQBI-JGVFFNPUSA-N -2 3 311.294 0.405 20 0 DCADHL Cn1c(C(=O)[O-])ccc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001600905674 1168502059 /nfs/dbraw/zinc/50/20/59/1168502059.db2.gz PWEPZSLADXVNJQ-UHFFFAOYSA-N -2 3 302.290 0.812 20 0 DCADHL Cn1cnc(C[N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1 ZINC001600990038 1168548797 /nfs/dbraw/zinc/54/87/97/1168548797.db2.gz ZRIGDMUZBXASJP-UHFFFAOYSA-N -2 3 314.298 0.131 20 0 DCADHL NC(=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC001601139723 1168596107 /nfs/dbraw/zinc/59/61/07/1168596107.db2.gz MVVYWJOJQPFKMZ-UHFFFAOYSA-N -2 3 316.335 0.302 20 0 DCADHL O=C([O-])[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001601573925 1168787718 /nfs/dbraw/zinc/78/77/18/1168787718.db2.gz OUJSLTWCLCYXTK-DMWPJOQESA-N -2 3 318.329 0.490 20 0 DCADHL O=C([O-])[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccnc1F ZINC001601642722 1168800032 /nfs/dbraw/zinc/80/00/32/1168800032.db2.gz SYNMCKUWJKMBIA-BDAKNGLRSA-N -2 3 318.326 0.521 20 0 DCADHL O=C([O-])CC1(COC(=O)CNC(=O)c2ccc([O-])cc2)CC1 ZINC001601920624 1168934438 /nfs/dbraw/zinc/93/44/38/1168934438.db2.gz UUPRJCCMMDMZDD-UHFFFAOYSA-N -2 3 307.302 0.920 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)o1 ZINC001602398365 1169071898 /nfs/dbraw/zinc/07/18/98/1169071898.db2.gz BNDQJZHWRJTWQI-MRVPVSSYSA-N -2 3 311.319 0.468 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc3nonc3c2)c1 ZINC001602558922 1169118235 /nfs/dbraw/zinc/11/82/35/1169118235.db2.gz HRNPGMAQXDJHQZ-UHFFFAOYSA-N -2 3 323.286 0.993 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC001602587486 1169127934 /nfs/dbraw/zinc/12/79/34/1169127934.db2.gz UUQIIFOJHBEEKA-SSDOTTSWSA-N -3 3 320.348 0.373 20 0 DCADHL C[C@@H](C(=O)[O-])N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001603031176 1169234082 /nfs/dbraw/zinc/23/40/82/1169234082.db2.gz BFFLMBKGOSNOGZ-QMMMGPOBSA-N -2 3 308.367 0.523 20 0 DCADHL C[C@@H](C(=O)[O-])N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001603031176 1169234089 /nfs/dbraw/zinc/23/40/89/1169234089.db2.gz BFFLMBKGOSNOGZ-QMMMGPOBSA-N -2 3 308.367 0.523 20 0 DCADHL CC(C)c1[n-][nH]c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001603240157 1169281758 /nfs/dbraw/zinc/28/17/58/1169281758.db2.gz AAXZAEFWFQVXOU-JTQLQIEISA-N -2 3 313.321 0.563 20 0 DCADHL CC(C)c1[n-][nH]c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001603240157 1169281764 /nfs/dbraw/zinc/28/17/64/1169281764.db2.gz AAXZAEFWFQVXOU-JTQLQIEISA-N -2 3 313.321 0.563 20 0 DCADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccn1)OC ZINC001604040339 1169476524 /nfs/dbraw/zinc/47/65/24/1169476524.db2.gz ZYOSVYVKNCLFIG-VIFPVBQESA-N -2 3 312.355 0.428 20 0 DCADHL C[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001604380118 1169576947 /nfs/dbraw/zinc/57/69/47/1169576947.db2.gz UDMSXUJFDWDPFB-LURJTMIESA-N -2 3 308.381 0.527 20 0 DCADHL CCn1nccc1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001604624236 1169633570 /nfs/dbraw/zinc/63/35/70/1169633570.db2.gz HJSPTVLVVZCDQG-UHFFFAOYSA-N -2 3 320.338 0.279 20 0 DCADHL CCn1nccc1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001604624236 1169633575 /nfs/dbraw/zinc/63/35/75/1169633575.db2.gz HJSPTVLVVZCDQG-UHFFFAOYSA-N -2 3 320.338 0.279 20 0 DCADHL CN(CCC(=O)[O-])C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001604737815 1169665755 /nfs/dbraw/zinc/66/57/55/1169665755.db2.gz JTVIFJPDWZCITL-UHFFFAOYSA-N -2 3 308.273 0.944 20 0 DCADHL CN(CCC(=O)[O-])C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001604737815 1169665758 /nfs/dbraw/zinc/66/57/58/1169665758.db2.gz JTVIFJPDWZCITL-UHFFFAOYSA-N -2 3 308.273 0.944 20 0 DCADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001604915040 1169741166 /nfs/dbraw/zinc/74/11/66/1169741166.db2.gz RFSXYFPBNKUBQQ-LLVKDONJSA-N -2 3 305.308 0.598 20 0 DCADHL CO[C@@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCSC1 ZINC001605013358 1169778839 /nfs/dbraw/zinc/77/88/39/1169778839.db2.gz HWAPKIWKCPFFAB-ZDUSSCGKSA-N -2 3 321.362 0.799 20 0 DCADHL CO[C@@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCSC1 ZINC001605013358 1169778844 /nfs/dbraw/zinc/77/88/44/1169778844.db2.gz HWAPKIWKCPFFAB-ZDUSSCGKSA-N -2 3 321.362 0.799 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001605065055 1169801484 /nfs/dbraw/zinc/80/14/84/1169801484.db2.gz MSYYZBLFSIYATR-AWEZNQCLSA-N -2 3 318.337 0.498 20 0 DCADHL COC[C@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001605065055 1169801493 /nfs/dbraw/zinc/80/14/93/1169801493.db2.gz MSYYZBLFSIYATR-AWEZNQCLSA-N -2 3 318.337 0.498 20 0 DCADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)COC1 ZINC001605144197 1169844824 /nfs/dbraw/zinc/84/48/24/1169844824.db2.gz NLYAQHUGGAYADW-UHFFFAOYSA-N -2 3 303.336 0.991 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC001605176879 1169859288 /nfs/dbraw/zinc/85/92/88/1169859288.db2.gz NQOFVQBAVFQFQG-ZETCQYMHSA-N -2 3 320.309 0.718 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC001605176879 1169859298 /nfs/dbraw/zinc/85/92/98/1169859298.db2.gz NQOFVQBAVFQFQG-ZETCQYMHSA-N -2 3 320.309 0.718 20 0 DCADHL COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC001605279870 1169886681 /nfs/dbraw/zinc/88/66/81/1169886681.db2.gz XFYQPIBCIAITHN-BDAKNGLRSA-N -2 3 317.305 0.212 20 0 DCADHL COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC001605279870 1169886686 /nfs/dbraw/zinc/88/66/86/1169886686.db2.gz XFYQPIBCIAITHN-BDAKNGLRSA-N -2 3 317.305 0.212 20 0 DCADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])[nH]n2)o1 ZINC001605383587 1169907593 /nfs/dbraw/zinc/90/75/93/1169907593.db2.gz PQKWEPLCLKJFBZ-UHFFFAOYSA-N -2 3 314.323 0.527 20 0 DCADHL CCOC1CC(O)(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001605610679 1169970927 /nfs/dbraw/zinc/97/09/27/1169970927.db2.gz QWJWPLDPCVMIAN-UHFFFAOYSA-N -2 3 319.335 0.186 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cn1 ZINC001605882537 1170021458 /nfs/dbraw/zinc/02/14/58/1170021458.db2.gz VYQRRDSKXGPBHR-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606262021 1170139715 /nfs/dbraw/zinc/13/97/15/1170139715.db2.gz JXEVQIGMOYJLGB-JGVFFNPUSA-N -2 3 316.335 0.171 20 0 DCADHL CO[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)[C@H](C(=O)[O-])C1 ZINC001606751737 1170277832 /nfs/dbraw/zinc/27/78/32/1170277832.db2.gz YWXZEJYUWAZYNJ-KOLCDFICSA-N -2 3 321.333 0.764 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001606833136 1170305489 /nfs/dbraw/zinc/30/54/89/1170305489.db2.gz JISNXYGWLQQVJA-OAHLLOKOSA-N -2 3 323.301 0.827 20 0 DCADHL COc1c(C(=O)[O-])ncnc1N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001607011773 1170353671 /nfs/dbraw/zinc/35/36/71/1170353671.db2.gz QZARCPMWWGGPGH-ZETCQYMHSA-N -2 3 305.294 0.606 20 0 DCADHL Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001607500070 1170468759 /nfs/dbraw/zinc/46/87/59/1170468759.db2.gz KKTDHDSWVBJNGP-UHFFFAOYSA-N -2 3 313.335 0.920 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC23CC(O)C3)oc1C(=O)[O-] ZINC001607706446 1170498902 /nfs/dbraw/zinc/49/89/02/1170498902.db2.gz RWPFGZQNGSLRGO-XIGTVVQJSA-N -2 3 301.320 0.478 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])nn1 ZINC001607820417 1170511120 /nfs/dbraw/zinc/51/11/20/1170511120.db2.gz BEMPWNNKGFGAOU-LLVKDONJSA-N -2 3 322.346 0.154 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c(=O)[n-]1 ZINC001607947331 1170531774 /nfs/dbraw/zinc/53/17/74/1170531774.db2.gz LAGMFSBYIMBSMU-JQWIXIFHSA-N -2 3 323.349 0.480 20 0 DCADHL O=C([O-])C[C@@H](O)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001608675864 1170734776 /nfs/dbraw/zinc/73/47/76/1170734776.db2.gz QAFCOPKNNHQZIA-SSDOTTSWSA-N -2 3 324.720 0.747 20 0 DCADHL O=C([O-])Cn1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001608799202 1170757063 /nfs/dbraw/zinc/75/70/63/1170757063.db2.gz AXVMZPIJEXKAME-UHFFFAOYSA-N -2 3 303.278 0.593 20 0 DCADHL O=C([O-])[C@]12C[C@H]1CCCN2Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001608824767 1170762653 /nfs/dbraw/zinc/76/26/53/1170762653.db2.gz FMFWDTBEETZWFH-PSLIRLAXSA-N -2 3 305.334 0.694 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1 ZINC001608956081 1170774926 /nfs/dbraw/zinc/77/49/26/1170774926.db2.gz DGIQCDIMRJVOOO-NSHDSACASA-N -2 3 311.315 0.990 20 0 DCADHL O=C([O-])c1coc(CNCc2nc3c(c(=O)[n-]2)COCC3)c1 ZINC001608989487 1170781790 /nfs/dbraw/zinc/78/17/90/1170781790.db2.gz NZOWULKZHDWFEO-UHFFFAOYSA-N -2 3 305.290 0.836 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2cnoc2)ccc1-c1nnn[n-]1 ZINC001609412652 1170972786 /nfs/dbraw/zinc/97/27/86/1170972786.db2.gz JFJWHXPMGIYWMU-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]c2cnoc2)ccc1-c1nn[n-]n1 ZINC001609412652 1170972790 /nfs/dbraw/zinc/97/27/90/1170972790.db2.gz JFJWHXPMGIYWMU-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1nsc(NC(=O)NCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC001609465932 1170987577 /nfs/dbraw/zinc/98/75/77/1170987577.db2.gz WPXIPANEUSBXQS-UHFFFAOYSA-N -2 3 311.327 0.618 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)[O-] ZINC001609982043 1171131000 /nfs/dbraw/zinc/13/10/00/1171131000.db2.gz MWDZFJOSKKJTGB-MRVPVSSYSA-N -3 3 305.308 0.818 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1C(=O)[O-] ZINC001610549508 1171251857 /nfs/dbraw/zinc/25/18/57/1171251857.db2.gz DRSIMAPAUQJZSC-QMMMGPOBSA-N -2 3 319.408 0.980 20 0 DCADHL O=C([O-])C1(CS(=O)(=O)[N-]Cc2nnc(C3CC3)o2)CCC1 ZINC001610728595 1171299671 /nfs/dbraw/zinc/29/96/71/1171299671.db2.gz PXBJJVWTALAHCA-UHFFFAOYSA-N -2 3 315.351 0.621 20 0 DCADHL CSCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1nnn[n-]1 ZINC001629932073 1171561047 /nfs/dbraw/zinc/56/10/47/1171561047.db2.gz WJQRTEMTBVZDJT-JTQLQIEISA-N -2 3 321.362 0.699 20 0 DCADHL CSCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1nn[n-]n1 ZINC001629932073 1171561051 /nfs/dbraw/zinc/56/10/51/1171561051.db2.gz WJQRTEMTBVZDJT-JTQLQIEISA-N -2 3 321.362 0.699 20 0 DCADHL O=c1nc(CN2CC[C@H](c3nnn[n-]3)C2)[n-]c2ccsc21 ZINC001659943710 1173937152 /nfs/dbraw/zinc/93/71/52/1173937152.db2.gz KLCNBIVANSAVKY-ZETCQYMHSA-N -2 3 303.351 0.900 20 0 DCADHL O=c1nc(CN2CC[C@H](c3nn[n-]n3)C2)[n-]c2ccsc21 ZINC001659943710 1173937156 /nfs/dbraw/zinc/93/71/56/1173937156.db2.gz KLCNBIVANSAVKY-ZETCQYMHSA-N -2 3 303.351 0.900 20 0 DCADHL Cc1cc(C(=O)N(C)Cc2c[nH]cn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001147080441 767642866 /nfs/dbraw/zinc/64/28/66/767642866.db2.gz MNTYSFGAQQVRNC-UHFFFAOYSA-N -2 3 314.305 0.740 20 0 DCADHL CN1C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCC1=O ZINC001180176145 771067723 /nfs/dbraw/zinc/06/77/23/771067723.db2.gz NRZJTOAKUPTOTD-YFKPBYRVSA-N -2 3 300.208 0.079 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H](CO)c1ccccc1 ZINC001181927561 771371851 /nfs/dbraw/zinc/37/18/51/771371851.db2.gz RFKPKBVMISYCSR-LBPRGKRZSA-N -2 3 301.279 0.837 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185555620 771927931 /nfs/dbraw/zinc/92/79/31/771927931.db2.gz DDMQBCFBWGOEKX-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185555620 771927933 /nfs/dbraw/zinc/92/79/33/771927933.db2.gz DDMQBCFBWGOEKX-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566190 771929505 /nfs/dbraw/zinc/92/95/05/771929505.db2.gz JHNKYTFNHANTEB-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566190 771929509 /nfs/dbraw/zinc/92/95/09/771929509.db2.gz JHNKYTFNHANTEB-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cc1nccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566926 771929620 /nfs/dbraw/zinc/92/96/20/771929620.db2.gz WPHRFEDPWCZCAG-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1nccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566926 771929623 /nfs/dbraw/zinc/92/96/23/771929623.db2.gz WPHRFEDPWCZCAG-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL COC(=O)[C@@H](NC(=O)NCCCCP(=O)([O-])[O-])C(C)C ZINC001190260892 772611744 /nfs/dbraw/zinc/61/17/44/772611744.db2.gz AFZFOFJBHWPWHB-VIFPVBQESA-N -2 3 310.287 0.441 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC(O)C2)c(F)cc1F ZINC001195186114 773338226 /nfs/dbraw/zinc/33/82/26/773338226.db2.gz FYTNQBWMTSDRTM-UHFFFAOYSA-N -2 3 307.274 0.465 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)CF)c(F)cc1F ZINC001195269092 773360479 /nfs/dbraw/zinc/36/04/79/773360479.db2.gz VKHZVFCZMHYLCX-YFKPBYRVSA-N -2 3 313.253 0.272 20 0 DCADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(CCO)ccn1 ZINC001199764741 774193594 /nfs/dbraw/zinc/19/35/94/774193594.db2.gz WPZAGLZYDPJQSA-UHFFFAOYSA-N -2 3 302.267 0.304 20 0 DCADHL CC1(C)O[C@H]2C(=O)O[C@H](COCCCCP(=O)([O-])[O-])[C@H]2O1 ZINC001225019529 775631300 /nfs/dbraw/zinc/63/13/00/775631300.db2.gz XZNZLQUOTYJKAU-OPRDCNLKSA-N -2 3 324.266 0.406 20 0 DCADHL CC(C)(C)OC(=O)N1CC=C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)C1 ZINC001227571630 775988173 /nfs/dbraw/zinc/98/81/73/775988173.db2.gz XISXSQGZMJJCFU-QMMMGPOBSA-N -2 3 310.310 0.837 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)oc1C(=O)[O-] ZINC001600297327 1168159415 /nfs/dbraw/zinc/15/94/15/1168159415.db2.gz PCQHURPQIRGRQA-ZETCQYMHSA-N -3 3 317.319 0.818 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c1C(=O)[O-] ZINC001600673805 1168245579 /nfs/dbraw/zinc/24/55/79/1168245579.db2.gz VKHSENVKRJPXCX-IUCAKERBSA-N -2 3 315.351 0.262 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)C(C)(C)C)c1C(=O)[O-] ZINC001600674339 1168245689 /nfs/dbraw/zinc/24/56/89/1168245689.db2.gz KZTOWKAOLXSMFJ-SSDOTTSWSA-N -2 3 305.356 0.102 20 0 DCADHL NCC(F)(F)C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001601181467 1168627625 /nfs/dbraw/zinc/62/76/25/1168627625.db2.gz BXUFQNOXNUGJDE-UHFFFAOYSA-N -2 3 312.269 0.396 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCOC(F)F ZINC001602588727 1169127199 /nfs/dbraw/zinc/12/71/99/1169127199.db2.gz JHAFHTMYYUJQIV-UHFFFAOYSA-N -2 3 316.307 0.749 20 0 DCADHL COC(=O)CS(=O)(=O)[N-]c1cc2ccc([O-])cc2oc1=O ZINC001259018407 946892835 /nfs/dbraw/zinc/89/28/35/946892835.db2.gz JNITWZJPKRIVME-UHFFFAOYSA-N -2 3 313.287 0.413 20 0 DCADHL NC(=O)c1ccc([N-]S(=O)(=O)C2CCOCC2)c([O-])c1 ZINC001259916804 947018762 /nfs/dbraw/zinc/01/87/62/947018762.db2.gz NQGRRGDGRKTGAT-UHFFFAOYSA-N -2 3 300.336 0.412 20 0 DCADHL O=P([O-])([O-])CCNS(=O)(=O)c1cnc2ccccc2c1 ZINC001260012679 947049816 /nfs/dbraw/zinc/04/98/16/947049816.db2.gz UNFKSBBCFDECJR-UHFFFAOYSA-N -2 3 316.275 0.691 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)n1cncn1 ZINC001573732657 948606529 /nfs/dbraw/zinc/60/65/29/948606529.db2.gz UKCKRLTTWDFVCL-MRVPVSSYSA-N -2 3 300.282 0.129 20 0 DCADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)n1cncn1 ZINC001573732657 948606533 /nfs/dbraw/zinc/60/65/33/948606533.db2.gz UKCKRLTTWDFVCL-MRVPVSSYSA-N -2 3 300.282 0.129 20 0 DCADHL C[S@](=O)C1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000380110702 971677166 /nfs/dbraw/zinc/67/71/66/971677166.db2.gz GQRHQMFKVYXJDF-SFHVURJKSA-N -2 3 324.405 0.031 20 0 DCADHL CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000381337444 971755885 /nfs/dbraw/zinc/75/58/85/971755885.db2.gz ZBJTWGBRBLKWOH-ZCFIWIBFSA-N -2 3 306.365 0.687 20 0 DCADHL O=C([O-])c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[nH]n1 ZINC001594767752 953537906 /nfs/dbraw/zinc/53/79/06/953537906.db2.gz JWGZBEVIOMNVTF-UHFFFAOYSA-N -2 3 313.277 0.218 20 0 DCADHL O=C([O-])c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[nH]n1 ZINC001594767752 953537912 /nfs/dbraw/zinc/53/79/12/953537912.db2.gz JWGZBEVIOMNVTF-UHFFFAOYSA-N -2 3 313.277 0.218 20 0 DCADHL O=C([O-])C1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC=CC1 ZINC001594863663 954302918 /nfs/dbraw/zinc/30/29/18/954302918.db2.gz PITDZRWNAZBSDY-UHFFFAOYSA-N -2 3 304.228 0.861 20 0 DCADHL C[C@]1(C(=O)[O-])CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC001589192641 956600212 /nfs/dbraw/zinc/60/02/12/956600212.db2.gz LSCDRXAMWUMYAH-JTQLQIEISA-N -2 3 321.259 0.830 20 0 DCADHL O=C(COC(=O)[C@H]1CC[C@H]1C(=O)[O-])[N-]C(=O)c1cccs1 ZINC001594699380 956803305 /nfs/dbraw/zinc/80/33/05/956803305.db2.gz XXGYQPBMDRQZRE-SFYZADRCSA-N -2 3 311.315 0.659 20 0 DCADHL Cc1n[nH]c(C(=O)NCCNC(=O)c2ccccc2[O-])c1[O-] ZINC001292513578 956991392 /nfs/dbraw/zinc/99/13/92/956991392.db2.gz ZRXHUFWNUJQXTI-UHFFFAOYSA-N -2 3 304.306 0.289 20 0 DCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Nc1ccccc1CC(=O)[O-] ZINC001589257024 957007601 /nfs/dbraw/zinc/00/76/01/957007601.db2.gz SAJLYNPLTMCIAD-NSHDSACASA-N -2 3 318.333 0.947 20 0 DCADHL COc1ccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c([O-])c1 ZINC001362389664 959261337 /nfs/dbraw/zinc/26/13/37/959261337.db2.gz CANISUHXNPWFDC-SNVBAGLBSA-N -2 3 321.362 0.844 20 0 DCADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ncccc2[O-])cn1 ZINC001362890374 960140374 /nfs/dbraw/zinc/14/03/74/960140374.db2.gz VCNVVHCMVVXCIR-UHFFFAOYSA-N -2 3 308.319 0.806 20 0 DCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c1[O-] ZINC001362904182 960156318 /nfs/dbraw/zinc/15/63/18/960156318.db2.gz DYYPJHFSHYNLLV-SECBINFHSA-N -2 3 318.337 0.236 20 0 DCADHL COc1cc(OC)cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001363037552 960328758 /nfs/dbraw/zinc/32/87/58/960328758.db2.gz MIIYCITZHJZEIZ-UHFFFAOYSA-N -2 3 305.290 0.835 20 0 DCADHL Cc1ncc(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])s1 ZINC001571131455 961556915 /nfs/dbraw/zinc/55/69/15/961556915.db2.gz HHKAUCZYBIGZEF-UHFFFAOYSA-N -2 3 316.364 0.394 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@H](C)NC(=O)[O-])C2)n1 ZINC001571158018 961886975 /nfs/dbraw/zinc/88/69/75/961886975.db2.gz FMESDGKFKFZYFO-UWVGGRQHSA-N -2 3 323.353 0.232 20 0 DCADHL C[C@@](O)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CC1 ZINC000311547488 963490035 /nfs/dbraw/zinc/49/00/35/963490035.db2.gz OUWLOVVVKZMQRI-SNVBAGLBSA-N -2 3 306.365 0.281 20 0 DCADHL CCCN1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000315886624 963947389 /nfs/dbraw/zinc/94/73/89/963947389.db2.gz BHGHBNYXAWPSDC-UHFFFAOYSA-N -2 3 317.367 0.526 20 0 DCADHL COc1ccc(C(=O)NCCn2cc(C(=O)[O-])nn2)c([O-])c1 ZINC000315963079 963959469 /nfs/dbraw/zinc/95/94/69/963959469.db2.gz WXJBAMJFBBQWDP-UHFFFAOYSA-N -2 3 306.278 0.121 20 0 DCADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)N1CCCC1 ZINC000316005437 963963394 /nfs/dbraw/zinc/96/33/94/963963394.db2.gz FGLNUCAWNTVVOK-QMMMGPOBSA-N -2 3 303.340 0.135 20 0 DCADHL CC(C)N(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000316321948 964002709 /nfs/dbraw/zinc/00/27/09/964002709.db2.gz YGNXVZKZFSCHQR-QMMMGPOBSA-N -2 3 305.356 0.380 20 0 DCADHL CO[C@@H](C)c1nsc([N-]C(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001606670032 970383648 /nfs/dbraw/zinc/38/36/48/970383648.db2.gz MMYAZQXLZUEWNX-YFKPBYRVSA-N -2 3 309.307 0.986 20 0 DCADHL CO[C@H](C)c1nsc([N-]C(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001606670031 970384231 /nfs/dbraw/zinc/38/42/31/970384231.db2.gz MMYAZQXLZUEWNX-RXMQYKEDSA-N -2 3 309.307 0.986 20 0 DCADHL Cc1nc(C)c(CCC(=O)N2CCOC[C@@H]2CC(=O)[O-])c(=O)[n-]1 ZINC000321141932 970748186 /nfs/dbraw/zinc/74/81/86/970748186.db2.gz FRBMNUNKOFWPDL-NSHDSACASA-N -2 3 323.349 0.434 20 0 DCADHL O=C([O-])C[C@@H](NCc1ccncc1Br)C(=O)[O-] ZINC001606306404 973717732 /nfs/dbraw/zinc/71/77/32/973717732.db2.gz ZGDVPHXJUWBKQQ-MRVPVSSYSA-N -2 3 303.112 0.862 20 0 DCADHL Cn1nccc1[C@@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001605567241 973811366 /nfs/dbraw/zinc/81/13/66/973811366.db2.gz BDSHWQOLMNOJQS-LLVKDONJSA-N -2 3 300.278 0.247 20 0 DCADHL C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001592216402 977283329 /nfs/dbraw/zinc/28/33/29/977283329.db2.gz HZSRLJQGQSMLNV-DBMSQCEZSA-N -2 3 312.413 0.746 20 0 DCADHL C[C@@H](CCO)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592530155 978394599 /nfs/dbraw/zinc/39/45/99/978394599.db2.gz JYFSELCPJMBUHZ-SSDOTTSWSA-N -2 3 308.381 0.528 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)NC ZINC001595310755 980469724 /nfs/dbraw/zinc/46/97/24/980469724.db2.gz MGPSHFJIQDHGNM-QMMMGPOBSA-N -2 3 304.324 0.089 20 0 DCADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H](O)C(F)F ZINC001595313910 980479318 /nfs/dbraw/zinc/47/93/18/980479318.db2.gz YSYYAQZLPHLWGK-XRGYYRRGSA-N -2 3 313.278 0.661 20 0 DCADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001595640536 981962924 /nfs/dbraw/zinc/96/29/24/981962924.db2.gz ITDVLYAIGLMJCG-SECBINFHSA-N -2 3 319.335 0.988 20 0 DCADHL CCCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001595792831 982594232 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CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590371113 1166892700 /nfs/dbraw/zinc/89/27/00/1166892700.db2.gz QXMDWJQGEUOAPE-JTQLQIEISA-N -2 3 319.321 0.811 20 0 DCADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590371113 1166892703 /nfs/dbraw/zinc/89/27/03/1166892703.db2.gz QXMDWJQGEUOAPE-JTQLQIEISA-N -2 3 319.321 0.811 20 0 DCADHL CCCO[N-]C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590645258 1166960098 /nfs/dbraw/zinc/96/00/98/1166960098.db2.gz RQGQZQRQVBEUGA-UHFFFAOYSA-N -2 3 304.310 0.054 20 0 DCADHL CCCO[N-]C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590645258 1166960100 /nfs/dbraw/zinc/96/01/00/1166960100.db2.gz RQGQZQRQVBEUGA-UHFFFAOYSA-N -2 3 304.310 0.054 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001590649352 1166960835 /nfs/dbraw/zinc/96/08/35/1166960835.db2.gz RQPAXZRSUJLVNB-UHFFFAOYSA-N -2 3 310.339 0.040 20 0 DCADHL CCCS(=O)(=O)[N-]C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001590649352 1166960842 /nfs/dbraw/zinc/96/08/42/1166960842.db2.gz 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1167496761 /nfs/dbraw/zinc/49/67/61/1167496761.db2.gz BRIRZGHCZVYCMU-UHFFFAOYSA-N -2 3 316.321 0.697 20 0 DCADHL Cc1nc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1-c1nn[n-]n1 ZINC001592345595 1167496766 /nfs/dbraw/zinc/49/67/66/1167496766.db2.gz BRIRZGHCZVYCMU-UHFFFAOYSA-N -2 3 316.321 0.697 20 0 DCADHL Cn1[n-]c(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)cc1=O ZINC001592592844 1167577446 /nfs/dbraw/zinc/57/74/46/1167577446.db2.gz JCHONBAICPHWFW-UHFFFAOYSA-N -2 3 313.321 0.278 20 0 DCADHL Cn1[n-]c(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC001592592844 1167577449 /nfs/dbraw/zinc/57/74/49/1167577449.db2.gz JCHONBAICPHWFW-UHFFFAOYSA-N -2 3 313.321 0.278 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CC12CC2 ZINC001593173762 1167731565 /nfs/dbraw/zinc/73/15/65/1167731565.db2.gz VHDGUBSHRCRYCQ-SNVBAGLBSA-N -2 3 319.346 0.472 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CC12CC2 ZINC001593173762 1167731573 /nfs/dbraw/zinc/73/15/73/1167731573.db2.gz VHDGUBSHRCRYCQ-SNVBAGLBSA-N -2 3 319.346 0.472 20 0 DCADHL O=C([O-])[C@H](CCF)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001593216775 1167740749 /nfs/dbraw/zinc/74/07/49/1167740749.db2.gz WPGAJTRCPRNOHZ-VIFPVBQESA-N -2 3 308.273 0.801 20 0 DCADHL O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593272489 1167748752 /nfs/dbraw/zinc/74/87/52/1167748752.db2.gz BTQUPMXPHNVMRK-VIFPVBQESA-N -2 3 302.294 0.805 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)O1 ZINC001593272492 1167749960 /nfs/dbraw/zinc/74/99/60/1167749960.db2.gz BUNMXFPFYJNWIQ-NXEZZACHSA-N -2 3 321.268 0.577 20 0 DCADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)O1 ZINC001593272492 1167749964 /nfs/dbraw/zinc/74/99/64/1167749964.db2.gz BUNMXFPFYJNWIQ-NXEZZACHSA-N -2 3 321.268 0.577 20 0 DCADHL Cc1c(NC(=O)c2cc(F)cc3n[n-]nc32)cnn1CC(=O)[O-] ZINC001600046595 1168106034 /nfs/dbraw/zinc/10/60/34/1168106034.db2.gz JEAVQFQURWRMPO-UHFFFAOYSA-N -2 3 318.268 0.939 20 0 DCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3nccc(C(=O)[O-])n3)C2)n1 ZINC001600064685 1168109948 /nfs/dbraw/zinc/10/99/48/1168109948.db2.gz AGLMJGBGTSKOEB-SECBINFHSA-N -2 3 316.321 0.670 20 0 DCADHL Cc1cc(NC(=O)C(=O)NCc2ncccc2[O-])c(C(=O)[O-])[nH]1 ZINC001600251084 1168149703 /nfs/dbraw/zinc/14/97/03/1168149703.db2.gz SKIQAMKCIZUCEN-UHFFFAOYSA-N -2 3 318.289 0.377 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H](C)CCCO)c1C(=O)[O-] ZINC001600673412 1168242766 /nfs/dbraw/zinc/24/27/66/1168242766.db2.gz PYIADLINIZWLFS-SSDOTTSWSA-N -2 3 305.356 0.103 20 0 DCADHL Cc1nc(C)c(CC(=O)Nc2cnn(CC(=O)[O-])c2)c(=O)[n-]1 ZINC001600691218 1168253818 /nfs/dbraw/zinc/25/38/18/1168253818.db2.gz FHQTXBBVESGKKE-UHFFFAOYSA-N -2 3 305.294 0.261 20 0 DCADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)[n-]cn1)c1ccc(F)cc1 ZINC001601457532 1168753247 /nfs/dbraw/zinc/75/32/47/1168753247.db2.gz JCUOSDPTCHKLEP-SNVBAGLBSA-N -2 3 305.265 0.920 20 0 DCADHL O=C([O-])CNC(=O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001602069087 1168985876 /nfs/dbraw/zinc/98/58/76/1168985876.db2.gz JILAXQFKEYDDNH-UHFFFAOYSA-N -2 3 312.297 0.171 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)o1 ZINC001602397140 1169070071 /nfs/dbraw/zinc/07/00/71/1169070071.db2.gz NQENNKORROPMGY-SSDOTTSWSA-N -2 3 324.305 0.596 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)o1 ZINC001602400470 1169072007 /nfs/dbraw/zinc/07/20/07/1169072007.db2.gz WTRCJTZUUDOVRU-VIFPVBQESA-N -2 3 319.335 0.044 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCO[C@H]1CCCCO1 ZINC001602487873 1169088925 /nfs/dbraw/zinc/08/89/25/1169088925.db2.gz HVUWAHKZPAHPJV-JTQLQIEISA-N -2 3 319.335 0.799 20 0 DCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001602584165 1169125702 /nfs/dbraw/zinc/12/57/02/1169125702.db2.gz BZAAYKRZSNYYOR-ALXXOCQFSA-N -2 3 316.360 0.295 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC001602587334 1169127595 /nfs/dbraw/zinc/12/75/95/1169127595.db2.gz MNCDCAHNJXGGHD-UHFFFAOYSA-N -3 3 306.321 0.127 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CO ZINC001602588342 1169127628 /nfs/dbraw/zinc/12/76/28/1169127628.db2.gz WDSZAAKFMBTDFM-RNFRBKRXSA-N -2 3 306.365 0.281 20 0 DCADHL O=C([O-])C1(C(=O)COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC001602611894 1169130690 /nfs/dbraw/zinc/13/06/90/1169130690.db2.gz VTWAPCSRIKMPPV-UHFFFAOYSA-N -2 3 317.253 0.161 20 0 DCADHL O=C([O-])[C@@H](CC(F)F)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001602656446 1169149043 /nfs/dbraw/zinc/14/90/43/1169149043.db2.gz OCCRASBXBIBUGC-ABRRARGCSA-N -2 3 310.256 0.996 20 0 DCADHL C[C@@H](C(=O)NC1CC1)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001603154931 1169259868 /nfs/dbraw/zinc/25/98/68/1169259868.db2.gz DAPMFSMOKPGJEN-GSWUGSKUSA-N -2 3 310.350 0.151 20 0 DCADHL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001603304703 1169291644 /nfs/dbraw/zinc/29/16/44/1169291644.db2.gz JPNXVSDTXCIIJK-SNVBAGLBSA-N -2 3 318.337 0.881 20 0 DCADHL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001603304703 1169291651 /nfs/dbraw/zinc/29/16/51/1169291651.db2.gz JPNXVSDTXCIIJK-SNVBAGLBSA-N -2 3 318.337 0.881 20 0 DCADHL CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)[N-]OCCCC(=O)[O-] ZINC001603453248 1169309919 /nfs/dbraw/zinc/30/99/19/1169309919.db2.gz WWKAQVJXLIHUJP-VIFPVBQESA-N -2 3 320.342 0.175 20 0 DCADHL Cc1[n-][nH]c(=O)c1Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001603826761 1169404578 /nfs/dbraw/zinc/40/45/78/1169404578.db2.gz MHCLQDCWWBHFQI-SECBINFHSA-N -2 3 303.351 0.845 20 0 DCADHL Cc1[n-][nH]c(=O)c1Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001603826761 1169404583 /nfs/dbraw/zinc/40/45/83/1169404583.db2.gz MHCLQDCWWBHFQI-SECBINFHSA-N -2 3 303.351 0.845 20 0 DCADHL CC[C@H](C(=O)[O-])N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001603978471 1169461735 /nfs/dbraw/zinc/46/17/35/1169461735.db2.gz CPKUYKUODIXJNL-SECBINFHSA-N -2 3 322.394 0.913 20 0 DCADHL CC[C@H](C(=O)[O-])N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001603978471 1169461738 /nfs/dbraw/zinc/46/17/38/1169461738.db2.gz CPKUYKUODIXJNL-SECBINFHSA-N -2 3 322.394 0.913 20 0 DCADHL CC1(C)C[C@@](C)([N-]S(=O)(=O)C2(C(=O)[O-])CCC2)C(=O)O1 ZINC001604513888 1169607599 /nfs/dbraw/zinc/60/75/99/1169607599.db2.gz BGJGHGVQCZSLPX-LLVKDONJSA-N -2 3 305.352 0.397 20 0 DCADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001604901853 1169736108 /nfs/dbraw/zinc/73/61/08/1169736108.db2.gz SCCIJVKXODZORC-ZDUSSCGKSA-N -2 3 304.310 0.635 20 0 DCADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001604901853 1169736116 /nfs/dbraw/zinc/73/61/16/1169736116.db2.gz SCCIJVKXODZORC-ZDUSSCGKSA-N -2 3 304.310 0.635 20 0 DCADHL CO[C@H]1C[C@@H](CC(=O)[O-])N(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001605025452 1169783990 /nfs/dbraw/zinc/78/39/90/1169783990.db2.gz WSCNVEJXRLCBHI-IUCAKERBSA-N -2 3 304.310 0.330 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)C2CCC2)cccc1-c1nnn[n-]1 ZINC001605479711 1169934390 /nfs/dbraw/zinc/93/43/90/1169934390.db2.gz IONGYGREMRYJMR-UHFFFAOYSA-N -2 3 321.362 0.787 20 0 DCADHL Cc1c(C(=O)[N-]S(=O)(=O)C2CCC2)cccc1-c1nn[n-]n1 ZINC001605479711 1169934393 /nfs/dbraw/zinc/93/43/93/1169934393.db2.gz IONGYGREMRYJMR-UHFFFAOYSA-N -2 3 321.362 0.787 20 0 DCADHL Cc1ccccc1S(=O)(=O)[N-]c1c(-c2nnn[n-]2)cnn1C ZINC001605943231 1170030341 /nfs/dbraw/zinc/03/03/41/1170030341.db2.gz NJLUZNXECCXWAK-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL COC(=O)/C=C\[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606434423 1170200428 /nfs/dbraw/zinc/20/04/28/1170200428.db2.gz SWBYLONMUDVIAC-SYDCGGLASA-N -2 3 320.348 0.237 20 0 DCADHL COCC[C@@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001606852517 1170314725 /nfs/dbraw/zinc/31/47/25/1170314725.db2.gz LTCCPTBUSFDYND-SSDOTTSWSA-N -2 3 308.381 0.792 20 0 DCADHL O=C([O-])[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C1CC1 ZINC001606962240 1170339661 /nfs/dbraw/zinc/33/96/61/1170339661.db2.gz LLDROVDNMZFJMV-VHSXEESVSA-N -2 3 318.312 0.948 20 0 DCADHL O=C([O-])[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C1CC1 ZINC001606962240 1170339667 /nfs/dbraw/zinc/33/96/67/1170339667.db2.gz LLDROVDNMZFJMV-VHSXEESVSA-N -2 3 318.312 0.948 20 0 DCADHL COc1c(C(=O)[O-])ncnc1N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001607011772 1170354465 /nfs/dbraw/zinc/35/44/65/1170354465.db2.gz QZARCPMWWGGPGH-SSDOTTSWSA-N -2 3 305.294 0.606 20 0 DCADHL O=S(=O)([N-]c1cnsn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001607070001 1170378899 /nfs/dbraw/zinc/37/88/99/1170378899.db2.gz QBWMLOXAXSRDBD-UHFFFAOYSA-N -2 3 309.336 0.519 20 0 DCADHL O=S(=O)([N-]c1cnsn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001607070001 1170378906 /nfs/dbraw/zinc/37/89/06/1170378906.db2.gz QBWMLOXAXSRDBD-UHFFFAOYSA-N -2 3 309.336 0.519 20 0 DCADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccn2)no1 ZINC001607949042 1170531233 /nfs/dbraw/zinc/53/12/33/1170531233.db2.gz NEZWGGTZEWZAIL-LURJTMIESA-N -2 3 312.307 0.511 20 0 DCADHL Cc1noc([C@@H]([N-]S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)n1 ZINC001608024422 1170551489 /nfs/dbraw/zinc/55/14/89/1170551489.db2.gz YLUXZUPSEYXIOL-AEJSXWLSSA-N -2 3 317.367 0.858 20 0 DCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)cc1C(=O)[O-] ZINC001608057091 1170561076 /nfs/dbraw/zinc/56/10/76/1170561076.db2.gz PGDQKOVAMANKIO-UWVGGRQHSA-N -2 3 303.336 0.868 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)[n-]cn1)Oc1ccccc1 ZINC001608455219 1170682583 /nfs/dbraw/zinc/68/25/83/1170682583.db2.gz HXLNWFLYTIGFNE-LLVKDONJSA-N -2 3 303.274 0.444 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC001608586137 1170708088 /nfs/dbraw/zinc/70/80/88/1170708088.db2.gz IKXHQVBDLRPYLA-MRVPVSSYSA-N -3 3 301.276 0.430 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001608604758 1170714582 /nfs/dbraw/zinc/71/45/82/1170714582.db2.gz NPZYMGDWISUWJD-VHSXEESVSA-N -2 3 312.297 0.508 20 0 DCADHL O=C([O-])CCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001608704891 1170740634 /nfs/dbraw/zinc/74/06/34/1170740634.db2.gz LNNNJGWFPAYGFS-MRVPVSSYSA-N -2 3 310.272 0.768 20 0 DCADHL O=C([O-])CCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001608713391 1170741854 /nfs/dbraw/zinc/74/18/54/1170741854.db2.gz VZENMAIUNLIRDF-UHFFFAOYSA-N -3 3 308.337 0.375 20 0 DCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2COCO2)c1F ZINC001608828120 1170762541 /nfs/dbraw/zinc/76/25/41/1170762541.db2.gz OSCJBFASJTWMOE-LURJTMIESA-N -2 3 323.273 0.314 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC001608874566 1170767417 /nfs/dbraw/zinc/76/74/17/1170767417.db2.gz JEAMHPVDAHCNJA-UHFFFAOYSA-N -2 3 312.289 0.823 20 0 DCADHL O=C([O-])c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC001608874566 1170767419 /nfs/dbraw/zinc/76/74/19/1170767419.db2.gz JEAMHPVDAHCNJA-UHFFFAOYSA-N -2 3 312.289 0.823 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](CO)c2cccnc2)c1 ZINC001608990691 1170781772 /nfs/dbraw/zinc/78/17/72/1170781772.db2.gz KXJBHMWTTDEWEU-SNVBAGLBSA-N -2 3 312.303 0.385 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c1 ZINC001608990544 1170781794 /nfs/dbraw/zinc/78/17/94/1170781794.db2.gz DCSUJYFCPYHSBY-UHFFFAOYSA-N -2 3 313.291 0.717 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H](O)C1CCC1 ZINC001609004924 1170784397 /nfs/dbraw/zinc/78/43/97/1170784397.db2.gz CHVKLYDUVFSDMV-SSDOTTSWSA-N -2 3 306.365 0.281 20 0 DCADHL Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001609412352 1170971351 /nfs/dbraw/zinc/97/13/51/1170971351.db2.gz WBNZHMSCKYJSET-JTQLQIEISA-N -2 3 323.334 0.023 20 0 DCADHL Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001609412352 1170971360 /nfs/dbraw/zinc/97/13/60/1170971360.db2.gz WBNZHMSCKYJSET-JTQLQIEISA-N -2 3 323.334 0.023 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001609560206 1171021266 /nfs/dbraw/zinc/02/12/66/1171021266.db2.gz AKGZJGQBIFVEGZ-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001609560206 1171021269 /nfs/dbraw/zinc/02/12/69/1171021269.db2.gz AKGZJGQBIFVEGZ-UHFFFAOYSA-N -2 3 307.335 0.472 20 0 DCADHL CC[C@H](C)[C@H](NC(=O)CN1CC[C@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC001609898133 1171117592 /nfs/dbraw/zinc/11/75/92/1171117592.db2.gz DIPQCTAFGQBEDZ-CHIMOYNISA-N -2 3 300.355 0.399 20 0 DCADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c[nH]c1=O)C1CC1 ZINC001610226882 1171200908 /nfs/dbraw/zinc/20/09/08/1171200908.db2.gz FAZPFSZDQHWLKA-JTQLQIEISA-N -2 3 316.335 0.652 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCC(=O)NC2CC2)c1 ZINC001610655477 1171282501 /nfs/dbraw/zinc/28/25/01/1171282501.db2.gz HCWCZUKBQNKOLP-UHFFFAOYSA-N -2 3 316.335 0.315 20 0 DCADHL O=C([O-])C[C@@]1(NC(=O)c2cccc3n[n-]nc32)CCCOC1 ZINC001610756520 1171311049 /nfs/dbraw/zinc/31/10/49/1171311049.db2.gz LMPIYWGGDUXTFV-AWEZNQCLSA-N -2 3 304.306 0.712 20 0 DCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cn(-c2ccccc2)nn1 ZINC001634153313 1171663053 /nfs/dbraw/zinc/66/30/53/1171663053.db2.gz ZJYNAGHVKHGBIK-UHFFFAOYSA-N -2 3 312.289 0.399 20 0 DCADHL COc1ccc(-c2nn[n-]n2)cc1NCCOP(=O)([O-])[O-] ZINC001168591912 752663293 /nfs/dbraw/zinc/66/32/93/752663293.db2.gz IJZCIELDQJZHDR-UHFFFAOYSA-N -3 3 315.226 0.397 20 0 DCADHL CCOC(=O)[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)CO1 ZINC001233940157 769502351 /nfs/dbraw/zinc/50/23/51/769502351.db2.gz SMNMRCAMMGBPTB-CBAPKCEASA-N -2 3 308.294 0.136 20 0 DCADHL 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417805665 /nfs/dbraw/zinc/80/56/65/417805665.db2.gz IXPPBZJIIBXRRO-HTQZYQBOSA-N -2 3 304.310 0.298 20 0 DCADHL C[C@@H](NC(=O)c1cnn[n-]1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646202130 417805669 /nfs/dbraw/zinc/80/56/69/417805669.db2.gz IXPPBZJIIBXRRO-HTQZYQBOSA-N -2 3 304.310 0.298 20 0 DCADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-] ZINC000646042048 417858938 /nfs/dbraw/zinc/85/89/38/417858938.db2.gz OJVCUYSTJOFXSZ-SECBINFHSA-N -2 3 321.326 0.602 20 0 DCADHL CCn1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)nc1C ZINC000663254713 418005624 /nfs/dbraw/zinc/00/56/24/418005624.db2.gz MDNSRKWNARGOLU-NSHDSACASA-N -2 3 315.395 0.991 20 0 DCADHL Cc1c(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])coc1C(=O)N(C)C ZINC000647639152 418036655 /nfs/dbraw/zinc/03/66/55/418036655.db2.gz HURXPNBJOZRCOJ-SSDOTTSWSA-N -2 3 318.351 0.431 20 0 DCADHL CC(C)(C(=O)[O-])C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000649242263 418213182 /nfs/dbraw/zinc/21/31/82/418213182.db2.gz VPFKUTHRWJGZAF-OAHLLOKOSA-N -2 3 319.317 0.791 20 0 DCADHL O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000649460759 418255270 /nfs/dbraw/zinc/25/52/70/418255270.db2.gz FCVMQPUQWDPVDY-CHWSQXEVSA-N -2 3 318.329 0.397 20 0 DCADHL COc1cccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1F ZINC000656155890 418331674 /nfs/dbraw/zinc/33/16/74/418331674.db2.gz IJNKSJUNYHQCKB-ZCFIWIBFSA-N -3 3 321.282 0.041 20 0 DCADHL COc1cccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c1F ZINC000656159657 418331800 /nfs/dbraw/zinc/33/18/00/418331800.db2.gz WXFDGKUEPSPMJW-GFCCVEGCSA-N -2 3 319.310 0.356 20 0 DCADHL COC[C@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000656157509 418331818 /nfs/dbraw/zinc/33/18/18/418331818.db2.gz NRBRBNAVIQTHKQ-ZETCQYMHSA-N -2 3 307.299 0.212 20 0 DCADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC000656164023 418332370 /nfs/dbraw/zinc/33/23/70/418332370.db2.gz FQOCTPQXCHMFEJ-MRVPVSSYSA-N -2 3 306.315 0.571 20 0 DCADHL C[C@](CCF)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000656475431 418356527 /nfs/dbraw/zinc/35/65/27/418356527.db2.gz UMPJVHAPQDAYNE-CQSZACIVSA-N -2 3 323.280 0.895 20 0 DCADHL O=C([O-])[C@]1(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC000656478972 418357798 /nfs/dbraw/zinc/35/77/98/418357798.db2.gz VOMCINTWOCWWCP-AWEZNQCLSA-N -2 3 317.305 0.687 20 0 DCADHL O=C([O-])[C@]1(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC000656478972 418357799 /nfs/dbraw/zinc/35/77/99/418357799.db2.gz VOMCINTWOCWWCP-AWEZNQCLSA-N -2 3 317.305 0.687 20 0 DCADHL CC(C)n1cc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])cn1 ZINC000656724187 418373001 /nfs/dbraw/zinc/37/30/01/418373001.db2.gz KNYUJKDILATGGF-LLVKDONJSA-N -2 3 307.347 0.945 20 0 DCADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000522053503 272545679 /nfs/dbraw/zinc/54/56/79/272545679.db2.gz QRTPFJKYMVFJBG-VXNVDRBHSA-N -2 3 321.376 0.525 20 0 DCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])s1 ZINC000270407201 278118340 /nfs/dbraw/zinc/11/83/40/278118340.db2.gz BHGDEGXTUSULKH-SSDOTTSWSA-N -2 3 320.392 0.178 20 0 DCADHL CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000546957362 288034359 /nfs/dbraw/zinc/03/43/59/288034359.db2.gz JVLZDFIUTUORMN-UHFFFAOYSA-N -2 3 320.392 0.591 20 0 DCADHL CO[C@@H](C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547568599 288059088 /nfs/dbraw/zinc/05/90/88/288059088.db2.gz MDKLYGLPAZJHDX-JTQLQIEISA-N -2 3 318.307 0.114 20 0 DCADHL CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(=O)[O-] ZINC000547571567 288059492 /nfs/dbraw/zinc/05/94/92/288059492.db2.gz ZESJYOQDUWHMKE-SECBINFHSA-N -2 3 318.738 0.590 20 0 DCADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cccs2)C(=O)[O-])c1 ZINC000548537088 288151680 /nfs/dbraw/zinc/15/16/80/288151680.db2.gz IUICVWIPCNLSSF-SECBINFHSA-N -2 3 315.376 0.685 20 0 DCADHL NC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000036983406 337361601 /nfs/dbraw/zinc/36/16/01/337361601.db2.gz UKXZXXXFWAMOQU-LURJTMIESA-N -2 3 324.717 0.086 20 0 DCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c1 ZINC000576446066 341846641 /nfs/dbraw/zinc/84/66/41/341846641.db2.gz AFDQTYFVZZNTTM-LLVKDONJSA-N -2 3 301.368 0.996 20 0 DCADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000576713478 341859709 /nfs/dbraw/zinc/85/97/09/341859709.db2.gz ODIURTPOLDCQKJ-VIFPVBQESA-N -2 3 311.718 0.344 20 0 DCADHL CSC(C)(C)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001607388124 1159797458 /nfs/dbraw/zinc/79/74/58/1159797458.db2.gz FSHFOPASNSGMKN-UHFFFAOYSA-N -2 3 307.397 0.836 20 0 DCADHL CCC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000262288867 521143614 /nfs/dbraw/zinc/14/36/14/521143614.db2.gz BFZXSQHQCHCCTA-VIFPVBQESA-N -2 3 318.351 0.479 20 0 DCADHL COc1cc(=NC(=O)N2CCC(CCC(=O)[O-])CC2)[n-]n1C ZINC000389222781 546219188 /nfs/dbraw/zinc/21/91/88/546219188.db2.gz VKHIAFINECOBHN-UHFFFAOYSA-N -2 3 310.354 0.959 20 0 DCADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC000404972447 546228222 /nfs/dbraw/zinc/22/82/22/546228222.db2.gz RHRBAZDDAAOUDC-SECBINFHSA-N -3 3 319.310 0.730 20 0 DCADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000669837818 547021429 /nfs/dbraw/zinc/02/14/29/547021429.db2.gz NFBNBWORUQZLSS-LURJTMIESA-N -2 3 323.273 0.802 20 0 DCADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c(F)c1 ZINC000682896773 548436370 /nfs/dbraw/zinc/43/63/70/548436370.db2.gz RNJQXLASOUIIHM-NSHDSACASA-N -2 3 303.311 0.976 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1CCC1 ZINC000737300432 598976678 /nfs/dbraw/zinc/97/66/78/598976678.db2.gz XGGRCXCCTMMNEP-UHFFFAOYSA-N -2 3 321.362 0.780 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1CCC1 ZINC000737300432 598976679 /nfs/dbraw/zinc/97/66/79/598976679.db2.gz XGGRCXCCTMMNEP-UHFFFAOYSA-N -2 3 321.362 0.780 20 0 DCADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737825526 599150572 /nfs/dbraw/zinc/15/05/72/599150572.db2.gz ZTWCGVUEFKZJPW-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737825526 599150573 /nfs/dbraw/zinc/15/05/73/599150573.db2.gz ZTWCGVUEFKZJPW-UHFFFAOYSA-N -2 3 321.362 0.862 20 0 DCADHL COCCSCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC000821694461 599351930 /nfs/dbraw/zinc/35/19/30/599351930.db2.gz OAIZEQVZAHJFQR-UHFFFAOYSA-N -2 3 307.339 0.495 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCC(=O)[O-] ZINC000736184559 599219683 /nfs/dbraw/zinc/21/96/83/599219683.db2.gz LTTJDTNIWUYIQV-SECBINFHSA-N -2 3 319.321 0.615 20 0 DCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCC(=O)[O-] ZINC000736184559 599219685 /nfs/dbraw/zinc/21/96/85/599219685.db2.gz LTTJDTNIWUYIQV-SECBINFHSA-N -2 3 319.321 0.615 20 0 DCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000760101987 597373708 /nfs/dbraw/zinc/37/37/08/597373708.db2.gz SZWVCPAFDXPZOH-RXMQYKEDSA-N -2 3 322.726 0.273 20 0 DCADHL O=S(=O)([N-]c1nncs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589226 607319871 /nfs/dbraw/zinc/31/98/71/607319871.db2.gz UJFGJTPHNZEBLP-UHFFFAOYSA-N -2 3 309.336 0.519 20 0 DCADHL O=S(=O)([N-]c1nncs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589226 607319872 /nfs/dbraw/zinc/31/98/72/607319872.db2.gz UJFGJTPHNZEBLP-UHFFFAOYSA-N -2 3 309.336 0.519 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)NC2CCCC2)o1 ZINC000739310333 599775878 /nfs/dbraw/zinc/77/58/78/599775878.db2.gz ZYLKGXRPBSPOEY-UHFFFAOYSA-N -2 3 316.335 0.315 20 0 DCADHL COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000737561303 600238935 /nfs/dbraw/zinc/23/89/35/600238935.db2.gz FYTUZQCORAWRHX-LBPRGKRZSA-N -2 3 317.319 0.598 20 0 DCADHL O=C([O-])c1ccc(NC(=O)Cn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC000833121793 600901609 /nfs/dbraw/zinc/90/16/09/600901609.db2.gz PGWNDRLJIMLINU-UHFFFAOYSA-N -2 3 323.692 0.939 20 0 DCADHL CCCOC(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829523582 601129198 /nfs/dbraw/zinc/12/91/98/601129198.db2.gz XZMIFHYSYSMQHL-UHFFFAOYSA-N -2 3 305.308 0.599 20 0 DCADHL CC[S@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829293224 601221341 /nfs/dbraw/zinc/22/13/41/601221341.db2.gz IRAJDVJIMTVDFN-SFHVURJKSA-N -2 3 309.365 0.333 20 0 DCADHL COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(C)C ZINC000831214910 601504719 /nfs/dbraw/zinc/50/47/19/601504719.db2.gz BXHLKELTZHXLSJ-JTQLQIEISA-N -2 3 307.368 0.358 20 0 DCADHL COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(C)(C)C ZINC000831078598 601517256 /nfs/dbraw/zinc/51/72/56/601517256.db2.gz MUPAEKUYTFMLSX-SNVBAGLBSA-N -2 3 321.395 0.748 20 0 DCADHL O=C([O-])[C@H]1COCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000767058426 601721163 /nfs/dbraw/zinc/72/11/63/601721163.db2.gz PQSNWQWCXUQFOW-SNVBAGLBSA-N -2 3 303.274 0.261 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c(=O)[n-]1 ZINC000738843823 603204027 /nfs/dbraw/zinc/20/40/27/603204027.db2.gz CQJKHJGPFKVCHA-JTQLQIEISA-N -2 3 308.338 0.600 20 0 DCADHL CCc1cc(=O)[n-]c(CN(C)CCN2CCN(C(=O)[O-])CC2)n1 ZINC000827568422 604130360 /nfs/dbraw/zinc/13/03/60/604130360.db2.gz ACEMSAZYXSBVTH-UHFFFAOYSA-N -2 3 323.397 0.472 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]C2CN(C(=O)[O-])C2)c(F)cc1F ZINC000830132546 604413075 /nfs/dbraw/zinc/41/30/75/604413075.db2.gz HXHDKQJWTNIFEH-UHFFFAOYSA-N -2 3 306.290 0.914 20 0 DCADHL CC(C)C[C@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833477127 605030427 /nfs/dbraw/zinc/03/04/27/605030427.db2.gz GIFQYRCOCHLGBB-SSDOTTSWSA-N -2 3 308.381 0.527 20 0 DCADHL C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833614227 605195472 /nfs/dbraw/zinc/19/54/72/605195472.db2.gz LHMSZJWNPGYZJX-SNVBAGLBSA-N -2 3 316.379 0.988 20 0 DCADHL O=C([O-])Nc1ccc(C(=O)N2CCN(CCO)CC2)c([O-])c1 ZINC000832829263 605389259 /nfs/dbraw/zinc/38/92/59/605389259.db2.gz QQULDWNARAXQTQ-UHFFFAOYSA-N -2 3 309.322 0.232 20 0 DCADHL C[C@H](COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)NC(=O)[O-] ZINC000824980052 605405729 /nfs/dbraw/zinc/40/57/29/605405729.db2.gz JOQZCIJNGPGEKJ-SFYZADRCSA-N -2 3 310.372 0.150 20 0 DCADHL CNC(=O)c1cccc(CCC(=O)[N-]OC[C@H](C)NC(=O)[O-])c1 ZINC000833876671 606068735 /nfs/dbraw/zinc/06/87/35/606068735.db2.gz IXIMKFNMVDWJMN-JTQLQIEISA-N -2 3 323.349 0.683 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822400062 606637051 /nfs/dbraw/zinc/63/70/51/606637051.db2.gz VJNGBEZKKXPNDP-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822400062 606637052 /nfs/dbraw/zinc/63/70/52/606637052.db2.gz VJNGBEZKKXPNDP-UHFFFAOYSA-N -2 3 306.307 0.964 20 0 DCADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)[N-]OCC(F)(F)F ZINC000823009785 607100301 /nfs/dbraw/zinc/10/03/01/607100301.db2.gz UKPIDSNUNMQLKT-UHFFFAOYSA-N -2 3 316.243 0.889 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825029407 608038614 /nfs/dbraw/zinc/03/86/14/608038614.db2.gz RPLXACYZAJZIPO-FPYGCLRLSA-N -2 3 307.335 0.638 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825029407 608038615 /nfs/dbraw/zinc/03/86/15/608038615.db2.gz RPLXACYZAJZIPO-FPYGCLRLSA-N -2 3 307.335 0.638 20 0 DCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000826357836 608101357 /nfs/dbraw/zinc/10/13/57/608101357.db2.gz SRFXUTVEORTUQS-UHFFFAOYSA-N -2 3 319.350 0.542 20 0 DCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000070776666 665921081 /nfs/dbraw/zinc/92/10/81/665921081.db2.gz SSWHPWXAWGERRT-UHFFFAOYSA-N -2 3 315.395 0.778 20 0 DCADHL O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccccc1[O-] ZINC001031554449 665196444 /nfs/dbraw/zinc/19/64/44/665196444.db2.gz WNAIRPOSSCOTIU-UHFFFAOYSA-N -2 3 303.322 0.078 20 0 DCADHL COCCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000748859711 667941121 /nfs/dbraw/zinc/94/11/21/667941121.db2.gz NZIBAYRHHHQQBH-LBPRGKRZSA-N -2 3 308.334 0.691 20 0 DCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCOCC1 ZINC000776527306 668877173 /nfs/dbraw/zinc/87/71/73/668877173.db2.gz SLSWNLDSCGMYGW-SNVBAGLBSA-N -2 3 318.351 0.450 20 0 DCADHL Cc1nc(C[N-]S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])no1 ZINC001607955226 1159799257 /nfs/dbraw/zinc/79/92/57/1159799257.db2.gz IMJWYFFQNHCTLS-RKDXNWHRSA-N -2 3 303.340 0.441 20 0 DCADHL CCc1ncc(S(=O)(=O)[N-]Cc2[nH]cnc2C(=O)[O-])s1 ZINC001573839711 1163563357 /nfs/dbraw/zinc/56/33/57/1163563357.db2.gz FKIDPDQGRYBGJU-UHFFFAOYSA-N -2 3 316.364 0.605 20 0 DCADHL CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CC1 ZINC001573948006 1163596725 /nfs/dbraw/zinc/59/67/25/1163596725.db2.gz GJJDENIQYPXBOE-MADCSZMMSA-N -2 3 317.367 0.590 20 0 DCADHL COC1(C[C@H]([N-]S(=O)(=O)c2conc2C)C(=O)[O-])CCC1 ZINC001573954730 1163599684 /nfs/dbraw/zinc/59/96/84/1163599684.db2.gz RIUIDHSDKGNFSG-VIFPVBQESA-N -2 3 318.351 0.674 20 0 DCADHL O=C([O-])CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001574368555 1163707076 /nfs/dbraw/zinc/70/70/76/1163707076.db2.gz UUSBPHBBKLQQEQ-UHFFFAOYSA-N -2 3 302.294 0.341 20 0 DCADHL O=C([O-])CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001574368555 1163707080 /nfs/dbraw/zinc/70/70/80/1163707080.db2.gz UUSBPHBBKLQQEQ-UHFFFAOYSA-N -2 3 302.294 0.341 20 0 DCADHL C[C@@H](NS(=O)(=O)c1ncc[n-]1)c1cccc(-c2nn[n-]n2)c1 ZINC001575410092 1164003976 /nfs/dbraw/zinc/00/39/76/1164003976.db2.gz LFXAULDXMQNQJO-MRVPVSSYSA-N -2 3 319.350 0.629 20 0 DCADHL Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001581727122 1165860949 /nfs/dbraw/zinc/86/09/49/1165860949.db2.gz KBMVKMCCFZDADF-ZCFIWIBFSA-N -2 3 317.309 0.698 20 0 DCADHL Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001581727122 1165860954 /nfs/dbraw/zinc/86/09/54/1165860954.db2.gz KBMVKMCCFZDADF-ZCFIWIBFSA-N -2 3 317.309 0.698 20 0 DCADHL Cn1[n-]c(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1=O ZINC001581822575 1165883817 /nfs/dbraw/zinc/88/38/17/1165883817.db2.gz UXZXSXMLJNFDHC-UHFFFAOYSA-N -2 3 311.305 0.462 20 0 DCADHL Cn1[n-]c(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1=O ZINC001581822575 1165883822 /nfs/dbraw/zinc/88/38/22/1165883822.db2.gz UXZXSXMLJNFDHC-UHFFFAOYSA-N -2 3 311.305 0.462 20 0 DCADHL CC(C)(CO)O[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001589299932 1166644372 /nfs/dbraw/zinc/64/43/72/1166644372.db2.gz VMUFBAYGTUVSIZ-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL CC(C)(CO)O[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001589299932 1166644376 /nfs/dbraw/zinc/64/43/76/1166644376.db2.gz VMUFBAYGTUVSIZ-UHFFFAOYSA-N -2 3 317.349 0.717 20 0 DCADHL CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589759522 1166682644 /nfs/dbraw/zinc/68/26/44/1166682644.db2.gz WESLWWLBMFAOIA-BQYQJAHWSA-N -2 3 321.362 0.734 20 0 DCADHL CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589759522 1166682646 /nfs/dbraw/zinc/68/26/46/1166682646.db2.gz WESLWWLBMFAOIA-BQYQJAHWSA-N -2 3 321.362 0.734 20 0 DCADHL C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C)C(=O)[O-] ZINC001589924152 1166722120 /nfs/dbraw/zinc/72/21/20/1166722120.db2.gz SHBJYKULQHPRAT-DTWKUNHWSA-N -2 3 319.321 0.471 20 0 DCADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)c(N)n1 ZINC001590226774 1166820982 /nfs/dbraw/zinc/82/09/82/1166820982.db2.gz SUHYAMXIUUCFKY-SFYZADRCSA-N -2 3 303.326 0.533 20 0 DCADHL CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590404110 1166898444 /nfs/dbraw/zinc/89/84/44/1166898444.db2.gz KLKJEMFJPYVUNL-QMMMGPOBSA-N -2 3 324.366 0.503 20 0 DCADHL CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590404110 1166898449 /nfs/dbraw/zinc/89/84/49/1166898449.db2.gz KLKJEMFJPYVUNL-QMMMGPOBSA-N -2 3 324.366 0.503 20 0 DCADHL COC(=O)Cc1c(C)[n-]n(-c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001591260995 1167183043 /nfs/dbraw/zinc/18/30/43/1167183043.db2.gz IUDGDNGIANBMCX-NSHDSACASA-N -2 3 314.305 0.769 20 0 DCADHL COCCCO[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001591416834 1167276241 /nfs/dbraw/zinc/27/62/41/1167276241.db2.gz DNHJBYRIECQWGV-UHFFFAOYSA-N -2 3 307.310 0.330 20 0 DCADHL COCCCO[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001591416834 1167276248 /nfs/dbraw/zinc/27/62/48/1167276248.db2.gz DNHJBYRIECQWGV-UHFFFAOYSA-N -2 3 307.310 0.330 20 0 DCADHL COc1cc(C(=O)NC[C@@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591513286 1167319473 /nfs/dbraw/zinc/31/94/73/1167319473.db2.gz FYGAQOMUTPSBKR-SSDOTTSWSA-N -2 3 305.294 0.326 20 0 DCADHL COc1cc(C(=O)NC[C@@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591513286 1167319478 /nfs/dbraw/zinc/31/94/78/1167319478.db2.gz FYGAQOMUTPSBKR-SSDOTTSWSA-N -2 3 305.294 0.326 20 0 DCADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001591779318 1167376196 /nfs/dbraw/zinc/37/61/96/1167376196.db2.gz GAAKNJSVVUVXBE-UHFFFAOYSA-N -2 3 303.257 0.995 20 0 DCADHL Cc1c(Cl)cnc(NC[C@](C)(O)C(=O)[O-])c1-c1nnn[n-]1 ZINC001591821800 1167388168 /nfs/dbraw/zinc/38/81/68/1167388168.db2.gz KCBBYBVDPRZMLH-NSHDSACASA-N -2 3 312.717 0.471 20 0 DCADHL Cc1c(Cl)cnc(NC[C@](C)(O)C(=O)[O-])c1-c1nn[n-]n1 ZINC001591821800 1167388178 /nfs/dbraw/zinc/38/81/78/1167388178.db2.gz KCBBYBVDPRZMLH-NSHDSACASA-N -2 3 312.717 0.471 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccnn1 ZINC001591873043 1167403673 /nfs/dbraw/zinc/40/36/73/1167403673.db2.gz MUSWDXQDMLIIIH-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccnn1 ZINC001591873043 1167403677 /nfs/dbraw/zinc/40/36/77/1167403677.db2.gz MUSWDXQDMLIIIH-UHFFFAOYSA-N -2 3 317.334 0.766 20 0 DCADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC001592302840 1167486571 /nfs/dbraw/zinc/48/65/71/1167486571.db2.gz QTLOKZWCXHQZLF-UHFFFAOYSA-N -2 3 319.350 0.709 20 0 DCADHL Cn1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001592574338 1167566498 /nfs/dbraw/zinc/56/64/98/1167566498.db2.gz CIYAEWGJSGOSDW-UHFFFAOYSA-N -2 3 305.323 0.401 20 0 DCADHL O=C([O-])CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001593278705 1167754689 /nfs/dbraw/zinc/75/46/89/1167754689.db2.gz UUVNCZZXFATGLZ-UHFFFAOYSA-N -2 3 302.294 0.948 20 0 DCADHL O=S(=O)(CCOCC1CC1)[N-]c1cccc(-c2nnn[n-]2)n1 ZINC001593420555 1167833039 /nfs/dbraw/zinc/83/30/39/1167833039.db2.gz LPBKBHNIBZMILV-UHFFFAOYSA-N -2 3 324.366 0.430 20 0 DCADHL O=S(=O)(CCOCC1CC1)[N-]c1cccc(-c2nn[n-]n2)n1 ZINC001593420555 1167833052 /nfs/dbraw/zinc/83/30/52/1167833052.db2.gz LPBKBHNIBZMILV-UHFFFAOYSA-N -2 3 324.366 0.430 20 0 DCADHL C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H](C(=O)[O-])O1 ZINC001599862919 1168073327 /nfs/dbraw/zinc/07/33/27/1168073327.db2.gz REHUDACDDUUIBD-XCBNKYQSSA-N -2 3 307.306 0.374 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(=O)NCCF)oc1C(=O)[O-] ZINC001600296869 1168160049 /nfs/dbraw/zinc/16/00/49/1168160049.db2.gz IQCDMPVRBQNSJC-SSDOTTSWSA-N -2 3 322.314 0.039 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)oc1C(=O)[O-] ZINC001600298709 1168160062 /nfs/dbraw/zinc/16/00/62/1168160062.db2.gz MREQOHSGOUQVKB-RKDXNWHRSA-N -2 3 315.347 0.868 20 0 DCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)oc1C(=O)[O-] ZINC001600300506 1168162140 /nfs/dbraw/zinc/16/21/40/1168162140.db2.gz VBJREUGMTMATAW-RKDXNWHRSA-N -2 3 303.336 0.868 20 0 DCADHL Cc1nccnc1CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001600757163 1168280947 /nfs/dbraw/zinc/28/09/47/1168280947.db2.gz LTHFLBASZAWIDP-UHFFFAOYSA-N -2 3 311.319 0.597 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CCOC(=O)N(C)C)cc1C(=O)[O-] ZINC001600858404 1168488501 /nfs/dbraw/zinc/48/85/01/1168488501.db2.gz WDYMZTHTDCGODJ-UHFFFAOYSA-N -2 3 320.323 0.263 20 0 DCADHL Cn1ncc(C(F)(F)F)c1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC001601025897 1168569618 /nfs/dbraw/zinc/56/96/18/1168569618.db2.gz VBHBPYRZOCBZHP-YFKPBYRVSA-N -2 3 319.236 0.140 20 0 DCADHL O=C(C=Cc1cc(C(=O)[O-])co1)NCCCc1c[n-][nH]c1=O ZINC001601232062 1168671036 /nfs/dbraw/zinc/67/10/36/1168671036.db2.gz BIPGNAIUBGLRJV-ZBJFTSOASA-N -2 3 305.290 0.619 20 0 DCADHL O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001601768086 1168864747 /nfs/dbraw/zinc/86/47/47/1168864747.db2.gz HGYFMDNAMIPLHE-BDAKNGLRSA-N -2 3 317.301 0.243 20 0 DCADHL O=C([O-])[C@H]1C[C@H](O)CN1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601772556 1168873418 /nfs/dbraw/zinc/87/34/18/1168873418.db2.gz LLIJPDQBTXBQJO-QWHCGFSZSA-N -2 3 315.329 0.869 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCC3)o1 ZINC001602401267 1169072631 /nfs/dbraw/zinc/07/26/31/1169072631.db2.gz ZPBWODAGSSTWEK-UHFFFAOYSA-N -2 3 323.330 0.735 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2=O)c1 ZINC001602557055 1169116755 /nfs/dbraw/zinc/11/67/55/1169116755.db2.gz OZSRMYZIUUHRDQ-MRVPVSSYSA-N -2 3 317.319 0.599 20 0 DCADHL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1 ZINC001603523816 1169315393 /nfs/dbraw/zinc/31/53/93/1169315393.db2.gz JCBZDFWNXCHQJR-PUERIAAYSA-N -2 3 312.413 0.580 20 0 DCADHL C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603536098 1169318428 /nfs/dbraw/zinc/31/84/28/1169318428.db2.gz SMOQFRHYIBRPSW-LURJTMIESA-N -2 3 308.273 0.848 20 0 DCADHL C[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603536098 1169318434 /nfs/dbraw/zinc/31/84/34/1169318434.db2.gz SMOQFRHYIBRPSW-LURJTMIESA-N -2 3 308.273 0.848 20 0 DCADHL CC[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC001603979081 1169461404 /nfs/dbraw/zinc/46/14/04/1169461404.db2.gz PLGIPSXHTLLORG-SNVBAGLBSA-N -2 3 305.294 0.476 20 0 DCADHL CC[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC001603979081 1169461408 /nfs/dbraw/zinc/46/14/08/1169461408.db2.gz PLGIPSXHTLLORG-SNVBAGLBSA-N -2 3 305.294 0.476 20 0 DCADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC(=O)[O-] ZINC001604142420 1169504403 /nfs/dbraw/zinc/50/44/03/1169504403.db2.gz STDTVIBVVJYJPY-ZETCQYMHSA-N -3 3 305.308 0.757 20 0 DCADHL CCn1ncc(-c2nnn[n-]2)c1[N-]S(=O)(=O)c1ccc(C)o1 ZINC001604617326 1169632390 /nfs/dbraw/zinc/63/23/90/1169632390.db2.gz BGEWHZPALKACJF-UHFFFAOYSA-N -2 3 323.338 0.785 20 0 DCADHL C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604722692 1169663390 /nfs/dbraw/zinc/66/33/90/1169663390.db2.gz ALIHRXYSIUBXEC-PELKAZGASA-N -2 3 303.336 0.807 20 0 DCADHL C/C=C/C[C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OCC ZINC001604852954 1169708695 /nfs/dbraw/zinc/70/86/95/1169708695.db2.gz UMYKBGUSTUDWEN-BREXMAIKSA-N -2 3 321.395 0.915 20 0 DCADHL COC(=O)Cc1c(C)[n-]n(-c2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001604930528 1169750928 /nfs/dbraw/zinc/75/09/28/1169750928.db2.gz OSCAUYJMXZZFEP-VIFPVBQESA-N -2 3 315.293 0.164 20 0 DCADHL COC(=O)Cc1c(C)[n-]n(-c2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001604930528 1169750923 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CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000829823354 601798658 /nfs/dbraw/zinc/79/86/58/601798658.db2.gz UEFKEOLKZXWOFM-WCBMZHEXSA-N -2 3 307.368 0.358 20 0 DCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000736670047 601998425 /nfs/dbraw/zinc/99/84/25/601998425.db2.gz GHCAPUCFDXKVKH-SSDOTTSWSA-N -2 3 319.335 0.986 20 0 DCADHL O=C([O-])N1CC(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000831541862 603998203 /nfs/dbraw/zinc/99/82/03/603998203.db2.gz GEBSPOJELANUBC-UHFFFAOYSA-N -2 3 307.266 0.382 20 0 DCADHL C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000825262933 604258999 /nfs/dbraw/zinc/25/89/99/604258999.db2.gz DCZWAYXLKWLXOD-MNOVXSKESA-N -2 3 319.365 0.891 20 0 DCADHL CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833504815 605207740 /nfs/dbraw/zinc/20/77/40/605207740.db2.gz PMNZMQKRHWZURK-MRVPVSSYSA-N -2 3 319.335 0.844 20 0 DCADHL O=C([O-])N1CCC[C@@H](C(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC000834099358 605832940 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DCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCC(=O)[O-])c1 ZINC000846772781 672343297 /nfs/dbraw/zinc/34/32/97/672343297.db2.gz KGFBPXRXMUYWIE-UHFFFAOYSA-N -2 3 319.310 0.674 20 0 DCADHL O=C([O-])C1(NC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000386530068 1158458213 /nfs/dbraw/zinc/45/82/13/1158458213.db2.gz GUZQWSPXNGYVEL-UHFFFAOYSA-N -2 3 301.306 0.994 20 0 DCADHL CC(C)CCC[C@H]([N-]S(=O)(=O)c1nncn1C)C(=O)[O-] ZINC001573510639 1163455022 /nfs/dbraw/zinc/45/50/22/1163455022.db2.gz DRVNEUSVDXZLCQ-VIFPVBQESA-N -2 3 304.372 0.373 20 0 DCADHL C[C@@H](NC(=O)c1cccc2n[n-]nc21)C1(C(=O)[O-])CCOCC1 ZINC001573571376 1163505687 /nfs/dbraw/zinc/50/56/87/1163505687.db2.gz HYKMKNXDSUHRPJ-SECBINFHSA-N -2 3 318.333 0.958 20 0 DCADHL CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001578249520 1164962402 /nfs/dbraw/zinc/96/24/02/1164962402.db2.gz LFSMXOXMRVTSQR-GHMZBOCLSA-N -2 3 317.305 0.476 20 0 DCADHL CCOC(=O)[C@@H]1C[C@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001578249520 1164962412 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CC(C)(C(=O)[O-])C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001589059138 1166633082 /nfs/dbraw/zinc/63/30/82/1166633082.db2.gz NYGNWSYFIDTTNJ-UHFFFAOYSA-N -2 3 301.306 0.820 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001589369931 1166653135 /nfs/dbraw/zinc/65/31/35/1166653135.db2.gz HOBQAXAPABNHTI-UHFFFAOYSA-N -2 3 307.335 0.638 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001589369931 1166653139 /nfs/dbraw/zinc/65/31/39/1166653139.db2.gz HOBQAXAPABNHTI-UHFFFAOYSA-N -2 3 307.335 0.638 20 0 DCADHL CC(C)N(CC(=O)[O-])C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589679423 1166672586 /nfs/dbraw/zinc/67/25/86/1166672586.db2.gz SHNJISWFSMAYMZ-UHFFFAOYSA-N -2 3 304.310 0.126 20 0 DCADHL C[C@@H](CNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)C(=O)[O-] ZINC001589859144 1166700519 /nfs/dbraw/zinc/70/05/19/1166700519.db2.gz YTJJEKVHTGIECE-QMMMGPOBSA-N -2 3 316.321 0.613 20 0 DCADHL C[C@@H](CNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)C(=O)[O-] ZINC001589859144 1166700523 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CCO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001590818548 1167030446 /nfs/dbraw/zinc/03/04/46/1167030446.db2.gz FAQHMIDHYKJETK-UHFFFAOYSA-N -2 3 310.701 0.526 20 0 DCADHL CCO[N-]C(=O)CNc1cc(C(C)=O)ccc1-c1nnn[n-]1 ZINC001590819015 1167030776 /nfs/dbraw/zinc/03/07/76/1167030776.db2.gz MYENYYCFCGGKAZ-UHFFFAOYSA-N -2 3 304.310 0.549 20 0 DCADHL CCO[N-]C(=O)CNc1cc(C(C)=O)ccc1-c1nn[n-]n1 ZINC001590819015 1167030781 /nfs/dbraw/zinc/03/07/81/1167030781.db2.gz MYENYYCFCGGKAZ-UHFFFAOYSA-N -2 3 304.310 0.549 20 0 DCADHL COCCO[N-]C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591440177 1167288200 /nfs/dbraw/zinc/28/82/00/1167288200.db2.gz ZTDVVGQCVCXNMU-UHFFFAOYSA-N -2 3 305.338 0.839 20 0 DCADHL COc1cc(-c2nnn[n-]2)ccc1NC(=O)C1CC(C(=O)[O-])C1 ZINC001591488709 1167312308 /nfs/dbraw/zinc/31/23/08/1167312308.db2.gz HTEZTZXIUWTXTQ-UHFFFAOYSA-N -2 3 317.305 0.925 20 0 DCADHL COc1cc(-c2nn[n-]n2)ccc1NC(=O)C1CC(C(=O)[O-])C1 ZINC001591488709 1167312318 /nfs/dbraw/zinc/31/23/18/1167312318.db2.gz HTEZTZXIUWTXTQ-UHFFFAOYSA-N -2 3 317.305 0.925 20 0 DCADHL COc1ccc(NC(=O)CSCC(=O)[O-])cc1-c1nnn[n-]1 ZINC001591609841 1167339478 /nfs/dbraw/zinc/33/94/78/1167339478.db2.gz YIRSKTQGYKOVPJ-UHFFFAOYSA-N -2 3 323.334 0.632 20 0 DCADHL COc1ccc(NC(=O)CSCC(=O)[O-])cc1-c1nn[n-]n1 ZINC001591609841 1167339484 /nfs/dbraw/zinc/33/94/84/1167339484.db2.gz YIRSKTQGYKOVPJ-UHFFFAOYSA-N -2 3 323.334 0.632 20 0 DCADHL Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001591782075 1167377197 /nfs/dbraw/zinc/37/71/97/1167377197.db2.gz ABSVBQLINNFSPT-SSDOTTSWSA-N -2 3 316.325 0.433 20 0 DCADHL O=C(CCF)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592841416 1167650247 /nfs/dbraw/zinc/65/02/47/1167650247.db2.gz SUINVOGLHJUOEC-UHFFFAOYSA-N -2 3 313.314 0.172 20 0 DCADHL O=C(CCF)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592841416 1167650253 /nfs/dbraw/zinc/65/02/53/1167650253.db2.gz SUINVOGLHJUOEC-UHFFFAOYSA-N -2 3 313.314 0.172 20 0 DCADHL O=C([O-])C1(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CCC1 ZINC001593275009 1167752881 /nfs/dbraw/zinc/75/28/81/1167752881.db2.gz CDYUBVIQPONAOD-UHFFFAOYSA-N -2 3 313.317 0.964 20 0 DCADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2csnn2)n1 ZINC001593282769 1167757774 /nfs/dbraw/zinc/75/77/74/1167757774.db2.gz DZEYNKYFVFVJAA-IWQZZHSRSA-N -2 3 301.291 0.982 20 0 DCADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2csnn2)n1 ZINC001593282769 1167757778 /nfs/dbraw/zinc/75/77/78/1167757778.db2.gz DZEYNKYFVFVJAA-IWQZZHSRSA-N -2 3 301.291 0.982 20 0 DCADHL Cc1cc(C(=O)[O-])nc(N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001600126993 1168124866 /nfs/dbraw/zinc/12/48/66/1168124866.db2.gz LRFIQRVWNMGTRO-VIFPVBQESA-N -2 3 316.321 0.670 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1C(=O)[O-] ZINC001600673806 1168244073 /nfs/dbraw/zinc/24/40/73/1168244073.db2.gz VKHSENVKRJPXCX-RKDXNWHRSA-N -2 3 315.351 0.262 20 0 DCADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc(C(=O)[O-])ccn1)C2 ZINC001600717306 1168261581 /nfs/dbraw/zinc/26/15/81/1168261581.db2.gz BROUJTJINPCWOK-UHFFFAOYSA-N -2 3 300.274 0.740 20 0 DCADHL Cc1oc(C)c(S(=O)(=O)[N-]CC(F)(F)CN)c1C(=O)[O-] ZINC001600839228 1168482726 /nfs/dbraw/zinc/48/27/26/1168482726.db2.gz KPUUQBJSSLPWEX-UHFFFAOYSA-N -2 3 312.294 0.467 20 0 DCADHL Cc1oc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])cc1C(=O)[O-] ZINC001600858021 1168489089 /nfs/dbraw/zinc/48/90/89/1168489089.db2.gz QRMJRHMUNMKWAD-UHFFFAOYSA-N -3 3 305.308 0.675 20 0 DCADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1ccco1)CCO2 ZINC001601788736 1168898629 /nfs/dbraw/zinc/89/86/29/1168898629.db2.gz QZUFQQXMICDDGX-QUNCOHTASA-N -2 3 315.347 0.970 20 0 DCADHL O=C([O-])Cn1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001602162053 1169009595 /nfs/dbraw/zinc/00/95/95/1169009595.db2.gz BIGLGCSLZGHWNA-UHFFFAOYSA-N -2 3 303.278 0.593 20 0 DCADHL O=C([O-])[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001602194137 1169023930 /nfs/dbraw/zinc/02/39/30/1169023930.db2.gz MPICXPAXGNVXCT-IYSWYEEDSA-N -2 3 308.718 0.873 20 0 DCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)n[nH]1 ZINC001602295870 1169048116 /nfs/dbraw/zinc/04/81/16/1169048116.db2.gz FXSKBBBEFPBUPK-SCSAIBSYSA-N -2 3 314.150 0.580 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1 ZINC001602488527 1169089379 /nfs/dbraw/zinc/08/93/79/1169089379.db2.gz OMWTUUSDCVYSFF-ZJUUUORDSA-N -2 3 301.320 0.824 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC=Cc1cccnc1 ZINC001602506632 1169101841 /nfs/dbraw/zinc/10/18/41/1169101841.db2.gz IPOFGPGNELABPW-RQOWECAXSA-N -2 3 308.319 0.495 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCO[C@H]2CCCCO2)c1 ZINC001602558931 1169118166 /nfs/dbraw/zinc/11/81/66/1169118166.db2.gz HYQWEEFXFFKUSV-JTQLQIEISA-N -2 3 319.335 0.799 20 0 DCADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](O)C1 ZINC001602589123 1169129477 /nfs/dbraw/zinc/12/94/77/1169129477.db2.gz VGTNDQLJARTJDN-NKWVEPMBSA-N -2 3 306.365 0.281 20 0 DCADHL CC(C)(CO)O[N-]C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001603152599 1169256374 /nfs/dbraw/zinc/25/63/74/1169256374.db2.gz QAWPNNGLRNTHPS-UHFFFAOYSA-N -2 3 323.378 0.778 20 0 DCADHL CC(C)(CO)O[N-]C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001603152599 1169256380 /nfs/dbraw/zinc/25/63/80/1169256380.db2.gz QAWPNNGLRNTHPS-UHFFFAOYSA-N -2 3 323.378 0.778 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603704910 1169367430 /nfs/dbraw/zinc/36/74/30/1169367430.db2.gz MXYBMTAHDQOYSU-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL C[C@H](O[C@@H](C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603704910 1169367436 /nfs/dbraw/zinc/36/74/36/1169367436.db2.gz MXYBMTAHDQOYSU-BQBZGAKWSA-N -2 3 323.284 0.823 20 0 DCADHL CCN(C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1)[C@H](C)C(=O)[O-] ZINC001604267138 1169537789 /nfs/dbraw/zinc/53/77/89/1169537789.db2.gz UGXJAUDUFNNYDJ-MRVPVSSYSA-N -2 3 319.321 0.811 20 0 DCADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1)[C@H](C)C(=O)[O-] ZINC001604267138 1169537794 /nfs/dbraw/zinc/53/77/94/1169537794.db2.gz UGXJAUDUFNNYDJ-MRVPVSSYSA-N -2 3 319.321 0.811 20 0 DCADHL C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001604837565 1169703027 /nfs/dbraw/zinc/70/30/27/1169703027.db2.gz MKHBKRGJHMSGBM-RDDDGLTNSA-N -2 3 323.330 0.908 20 0 DCADHL COC1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001605014214 1169780437 /nfs/dbraw/zinc/78/04/37/1169780437.db2.gz RDAHUSIGXOUOQK-UHFFFAOYSA-N -2 3 319.321 0.472 20 0 DCADHL COC1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001605014214 1169780442 /nfs/dbraw/zinc/78/04/42/1169780442.db2.gz RDAHUSIGXOUOQK-UHFFFAOYSA-N -2 3 319.321 0.472 20 0 DCADHL CC[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)[C@H](C)C(=O)[O-] ZINC001605115140 1169831299 /nfs/dbraw/zinc/83/12/99/1169831299.db2.gz YPBQLENDHJBSBP-LPEHRKFASA-N -2 3 323.411 0.993 20 0 DCADHL CC[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(OC)OC ZINC001605100141 1169823807 /nfs/dbraw/zinc/82/38/07/1169823807.db2.gz YHGADGGYCDBDRG-VIFPVBQESA-N -2 3 309.384 0.558 20 0 DCADHL CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001605505115 1169941851 /nfs/dbraw/zinc/94/18/51/1169941851.db2.gz BVGNMFSVYYLBDU-UHFFFAOYSA-N -2 3 322.364 0.461 20 0 DCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC001605546313 1169955933 /nfs/dbraw/zinc/95/59/33/1169955933.db2.gz NCPGSOALWCMFMD-IHWYPQMZSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC001605546313 1169955936 /nfs/dbraw/zinc/95/59/36/1169955936.db2.gz NCPGSOALWCMFMD-IHWYPQMZSA-N -2 3 323.334 0.094 20 0 DCADHL Cc1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001605924266 1170027297 /nfs/dbraw/zinc/02/72/97/1170027297.db2.gz CTOMSLWJXWIZRW-QMMMGPOBSA-N -2 3 323.334 0.023 20 0 DCADHL Cc1cccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001605924266 1170027301 /nfs/dbraw/zinc/02/73/01/1170027301.db2.gz CTOMSLWJXWIZRW-QMMMGPOBSA-N -2 3 323.334 0.023 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2cccnn2)cc1-c1nnn[n-]1 ZINC001606091823 1170073718 /nfs/dbraw/zinc/07/37/18/1170073718.db2.gz SSQBJSTXUPJQRD-UHFFFAOYSA-N -2 3 318.322 0.161 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2cccnn2)cc1-c1nn[n-]n1 ZINC001606091823 1170073722 /nfs/dbraw/zinc/07/37/22/1170073722.db2.gz SSQBJSTXUPJQRD-UHFFFAOYSA-N -2 3 318.322 0.161 20 0 DCADHL Cc1nnn(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1C ZINC001606125560 1170084555 /nfs/dbraw/zinc/08/45/55/1170084555.db2.gz XAHMLFTXIFFAQY-UHFFFAOYSA-N -2 3 300.282 0.165 20 0 DCADHL COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001606325596 1170159964 /nfs/dbraw/zinc/15/99/64/1170159964.db2.gz MRJFQZWOZFZSBD-BDAKNGLRSA-N -2 3 309.384 0.604 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCCN1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001606834007 1170305612 /nfs/dbraw/zinc/30/56/12/1170305612.db2.gz FVFVHBXREHJKHU-OAHLLOKOSA-N -2 3 323.349 0.321 20 0 DCADHL COCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])C(=O)[O-] ZINC001606857220 1170315454 /nfs/dbraw/zinc/31/54/54/1170315454.db2.gz VLPRMPKUUZVVBO-LLVKDONJSA-N -2 3 310.306 0.570 20 0 DCADHL O=C(Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)c1cncc([O-])c1 ZINC001606892413 1170324011 /nfs/dbraw/zinc/32/40/11/1170324011.db2.gz IRLZLXZWWRSVED-UHFFFAOYSA-N -2 3 312.293 0.820 20 0 DCADHL Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001607731001 1170501755 /nfs/dbraw/zinc/50/17/55/1170501755.db2.gz XNOGOJURTYIZLK-LLVKDONJSA-N -2 3 306.318 0.506 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CC[C@H]2CCOC2)c1C(=O)[O-] ZINC001607938093 1170529160 /nfs/dbraw/zinc/52/91/60/1170529160.db2.gz IZLIUGSHXMCLPD-QMMMGPOBSA-N -2 3 303.340 0.121 20 0 DCADHL O=C([O-])CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001608743579 1170748279 /nfs/dbraw/zinc/74/82/79/1170748279.db2.gz OVPJCHNUGFMTTR-UHFFFAOYSA-N -2 3 324.300 0.993 20 0 DCADHL O=C([O-])CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001608743579 1170748281 /nfs/dbraw/zinc/74/82/81/1170748281.db2.gz OVPJCHNUGFMTTR-UHFFFAOYSA-N -2 3 324.300 0.993 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccn2)o1 ZINC001608912343 1170771063 /nfs/dbraw/zinc/77/10/63/1170771063.db2.gz ZLIICEMNZCWLGK-SECBINFHSA-N -2 3 312.303 0.385 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)o1 ZINC001608911223 1170771371 /nfs/dbraw/zinc/77/13/71/1170771371.db2.gz BYZNRBABENBFRG-BDAKNGLRSA-N -2 3 301.320 0.560 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)o1 ZINC001608913105 1170771547 /nfs/dbraw/zinc/77/15/47/1170771547.db2.gz ISIMIGUWJRWQPH-UHFFFAOYSA-N -2 3 313.291 0.717 20 0 DCADHL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001609044700 1170791506 /nfs/dbraw/zinc/79/15/06/1170791506.db2.gz UQNGOUULDRZHLY-VIFPVBQESA-N -2 3 324.239 0.505 20 0 DCADHL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609184795 1170856929 /nfs/dbraw/zinc/85/69/29/1170856929.db2.gz PEJLBMJGLBBKMM-VIFPVBQESA-N -2 3 318.337 0.899 20 0 DCADHL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609184795 1170856935 /nfs/dbraw/zinc/85/69/35/1170856935.db2.gz PEJLBMJGLBBKMM-VIFPVBQESA-N -2 3 318.337 0.899 20 0 DCADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC001609308181 1170927710 /nfs/dbraw/zinc/92/77/10/1170927710.db2.gz GKGGLUMQZWMBLO-SSDOTTSWSA-N -2 3 315.330 0.782 20 0 DCADHL CSc1nc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2F)[n-]1 ZINC001609374209 1170952146 /nfs/dbraw/zinc/95/21/46/1170952146.db2.gz MWBNWOCLEPNPBR-UHFFFAOYSA-N -2 3 307.314 0.661 20 0 DCADHL Cc1nonc1[N-]S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001609456531 1170984858 /nfs/dbraw/zinc/98/48/58/1170984858.db2.gz TYKLPRNOXWQTME-UHFFFAOYSA-N -2 3 322.310 0.062 20 0 DCADHL Cc1nonc1[N-]S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001609456531 1170984863 /nfs/dbraw/zinc/98/48/63/1170984863.db2.gz TYKLPRNOXWQTME-UHFFFAOYSA-N -2 3 322.310 0.062 20 0 DCADHL CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001609819367 1171094353 /nfs/dbraw/zinc/09/43/53/1171094353.db2.gz VKBPYJQBUVLUOQ-QMMMGPOBSA-N -2 3 303.292 0.208 20 0 DCADHL CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001609900709 1171118654 /nfs/dbraw/zinc/11/86/54/1171118654.db2.gz OPRYMBQMPOXTCT-POYBYMJQSA-N -2 3 305.356 0.102 20 0 DCADHL NC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC001610635413 1171273785 /nfs/dbraw/zinc/27/37/85/1171273785.db2.gz SRVZDFBKJIKTMP-UHFFFAOYSA-N -2 3 302.308 0.054 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)c1 ZINC001610868352 1171346834 /nfs/dbraw/zinc/34/68/34/1171346834.db2.gz ZNPZMJZWKRKFNZ-NSHDSACASA-N -2 3 311.315 0.990 20 0 DCADHL Nc1cncc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175426767 769899260 /nfs/dbraw/zinc/89/92/60/769899260.db2.gz CEYACKGBKGVTRV-UHFFFAOYSA-N -2 3 317.334 0.645 20 0 DCADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])n2nccc2n1 ZINC001153987496 770027228 /nfs/dbraw/zinc/02/72/28/770027228.db2.gz MJPGPFKGUBZLTH-UHFFFAOYSA-N -2 3 312.266 0.725 20 0 DCADHL O=C(NC1C(=O)N=CN=C1[O-])c1ccc2c(=O)[nH][n-]c(=O)c2c1 ZINC001154313171 770137580 /nfs/dbraw/zinc/13/75/80/770137580.db2.gz PRFLFIIRTWXFRF-UHFFFAOYSA-N -2 3 315.245 0.495 20 0 DCADHL O=C(NC1C(=O)N=CN=C1[O-])c1ccc2c(=O)[n-][nH]c(=O)c2c1 ZINC001154313171 770137585 /nfs/dbraw/zinc/13/75/85/770137585.db2.gz PRFLFIIRTWXFRF-UHFFFAOYSA-N -2 3 315.245 0.495 20 0 DCADHL 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C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590216805 1166818689 /nfs/dbraw/zinc/81/86/89/1166818689.db2.gz ZLDHFRSPKBPMTD-LDYMZIIASA-N -2 3 321.362 0.469 20 0 DCADHL CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590856540 1167039597 /nfs/dbraw/zinc/03/95/97/1167039597.db2.gz BVEALGVZKSPIHD-LDYMZIIASA-N -2 3 319.321 0.613 20 0 DCADHL CSc1nc(=O)n(CCc2ccc(-c3nn[n-]n3)cc2)[n-]1 ZINC001591721206 1167361102 /nfs/dbraw/zinc/36/11/02/1167361102.db2.gz MZQYHEKDCGAABW-UHFFFAOYSA-N -2 3 303.351 0.716 20 0 DCADHL Cc1c(Cl)cnc(NC[C@@](C)(O)C(=O)[O-])c1-c1nnn[n-]1 ZINC001591821797 1167389015 /nfs/dbraw/zinc/38/90/15/1167389015.db2.gz KCBBYBVDPRZMLH-LLVKDONJSA-N -2 3 312.717 0.471 20 0 DCADHL Cc1c(Cl)cnc(NC[C@@](C)(O)C(=O)[O-])c1-c1nn[n-]n1 ZINC001591821797 1167389019 /nfs/dbraw/zinc/38/90/19/1167389019.db2.gz KCBBYBVDPRZMLH-LLVKDONJSA-N -2 3 312.717 0.471 20 0 DCADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC001592302337 1167486907 /nfs/dbraw/zinc/48/69/07/1167486907.db2.gz DAQOHEBRXXYILG-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC001592302337 1167486908 /nfs/dbraw/zinc/48/69/08/1167486908.db2.gz DAQOHEBRXXYILG-UHFFFAOYSA-N -2 3 320.338 0.104 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2cn[nH]c2)cc1-c1nnn[n-]1 ZINC001592414757 1167517599 /nfs/dbraw/zinc/51/75/99/1167517599.db2.gz MTTLKXSRPQLFDB-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL Cc1ncc(S(=O)(=O)[N-]c2cn[nH]c2)cc1-c1nn[n-]n1 ZINC001592414757 1167517602 /nfs/dbraw/zinc/51/76/02/1167517602.db2.gz MTTLKXSRPQLFDB-UHFFFAOYSA-N -2 3 306.311 0.094 20 0 DCADHL O=C([O-])[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001593276910 1167752616 /nfs/dbraw/zinc/75/26/16/1167752616.db2.gz REYJRDOGVJCDRM-QMMMGPOBSA-N -2 3 310.701 0.205 20 0 DCADHL O=C([O-])[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001593276910 1167752621 /nfs/dbraw/zinc/75/26/21/1167752621.db2.gz REYJRDOGVJCDRM-QMMMGPOBSA-N -2 3 310.701 0.205 20 0 DCADHL O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)c1ncc[n-]1 ZINC001593448384 1167846439 /nfs/dbraw/zinc/84/64/39/1167846439.db2.gz BUAZCZQRPQQYGG-UHFFFAOYSA-N -2 3 310.270 0.497 20 0 DCADHL O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1F)c1ncc[n-]1 ZINC001593448384 1167846445 /nfs/dbraw/zinc/84/64/45/1167846445.db2.gz BUAZCZQRPQQYGG-UHFFFAOYSA-N -2 3 310.270 0.497 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001593490300 1167876537 /nfs/dbraw/zinc/87/65/37/1167876537.db2.gz YNNDWQYTGRPKLP-ZETCQYMHSA-N -2 3 315.297 0.129 20 0 DCADHL O=c1[n-]nc([C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001593490300 1167876542 /nfs/dbraw/zinc/87/65/42/1167876542.db2.gz YNNDWQYTGRPKLP-ZETCQYMHSA-N -2 3 315.297 0.129 20 0 DCADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)COCC(=O)[O-])cc2)n1 ZINC001600064019 1168109787 /nfs/dbraw/zinc/10/97/87/1168109787.db2.gz FEVFTBGQKKIDJY-UHFFFAOYSA-N -2 3 317.301 0.785 20 0 DCADHL Cc1cc(=O)[n-]c(N2CCC(NC(=O)[C@H](C)CC(=O)[O-])CC2)n1 ZINC001600064009 1168109981 /nfs/dbraw/zinc/10/99/81/1168109981.db2.gz DWGAGYRYWKQLEB-SECBINFHSA-N -2 3 322.365 0.686 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCC(=O)CC2)c1C(=O)[O-] ZINC001600673160 1168242646 /nfs/dbraw/zinc/24/26/46/1168242646.db2.gz OXUUXYFVAGEPBQ-UHFFFAOYSA-N -2 3 301.324 0.206 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)Cc2cccnc2)c1C(=O)[O-] ZINC001600673418 1168242847 /nfs/dbraw/zinc/24/28/47/1168242847.db2.gz QBUHFDVUCCLRMJ-QMMMGPOBSA-N -2 3 324.362 0.721 20 0 DCADHL Cc1nc(-c2nnc(N3CC[C@@H](C(=O)[O-])C3)n2C)cc(=O)[n-]1 ZINC001600681417 1168247296 /nfs/dbraw/zinc/24/72/96/1168247296.db2.gz NQULPXYSGZWZHF-MRVPVSSYSA-N -2 3 304.310 0.197 20 0 DCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H]1C[C@H]1C(=O)[O-] ZINC001600772530 1168286440 /nfs/dbraw/zinc/28/64/40/1168286440.db2.gz KEPYEUPFFKTJML-RNFRBKRXSA-N -2 3 307.759 0.381 20 0 DCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC001600790767 1168296634 /nfs/dbraw/zinc/29/66/34/1168296634.db2.gz MUHAJPDATUBLPB-MRVPVSSYSA-N -2 3 316.314 0.129 20 0 DCADHL Cn1cnnc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001600995173 1168552806 /nfs/dbraw/zinc/55/28/06/1168552806.db2.gz MOCTXEZNYFFHRQ-LBPRGKRZSA-N -2 3 316.383 0.517 20 0 DCADHL O=C([O-])c1ccn(CCCC(=O)[N-]OCCN2CCCC2=O)n1 ZINC001601273846 1168685033 /nfs/dbraw/zinc/68/50/33/1168685033.db2.gz XPSANPKTZNQTCW-UHFFFAOYSA-N -2 3 324.337 0.032 20 0 DCADHL O=C([O-])c1ccn(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)n1 ZINC001601385597 1168729495 /nfs/dbraw/zinc/72/94/95/1168729495.db2.gz GNFJADMZJIYGJU-UHFFFAOYSA-N -2 3 304.188 0.357 20 0 DCADHL O=C([O-])c1ccn(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)n1 ZINC001601385597 1168729498 /nfs/dbraw/zinc/72/94/98/1168729498.db2.gz GNFJADMZJIYGJU-UHFFFAOYSA-N -2 3 304.188 0.357 20 0 DCADHL O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001601768087 1168865891 /nfs/dbraw/zinc/86/58/91/1168865891.db2.gz HGYFMDNAMIPLHE-DTWKUNHWSA-N -2 3 317.301 0.243 20 0 DCADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC001601908268 1168929702 /nfs/dbraw/zinc/92/97/02/1168929702.db2.gz CVSQSODNNRCGPA-QMMMGPOBSA-N -3 3 303.292 0.509 20 0 DCADHL O=C([O-])Cc1occc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001602156538 1169003999 /nfs/dbraw/zinc/00/39/99/1169003999.db2.gz GSQFUWACLBDQRC-UHFFFAOYSA-N -2 3 303.274 0.601 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)o1 ZINC001602396053 1169070293 /nfs/dbraw/zinc/07/02/93/1169070293.db2.gz MQZYPAHVMSEMDO-SECBINFHSA-N -3 3 303.292 0.509 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H](CCO)c1ccco1 ZINC001602489186 1169090185 /nfs/dbraw/zinc/09/01/85/1169090185.db2.gz VKYWKLWCGGBVPJ-SECBINFHSA-N -2 3 315.303 0.973 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC=Cc1cccnc1 ZINC001602506631 1169101689 /nfs/dbraw/zinc/10/16/89/1169101689.db2.gz IPOFGPGNELABPW-DUXPYHPUSA-N -2 3 308.319 0.495 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)c1 ZINC001602556810 1169117326 /nfs/dbraw/zinc/11/73/26/1169117326.db2.gz LACCTQNJNKVPSE-LBPRGKRZSA-N -2 3 319.335 0.188 20 0 DCADHL O=C([O-])c1coc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001602554858 1169117359 /nfs/dbraw/zinc/11/73/59/1169117359.db2.gz UPBZOZPPPDMBBH-UHFFFAOYSA-N -2 3 314.261 0.483 20 0 DCADHL O=C([O-])c1coc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001602554858 1169117363 /nfs/dbraw/zinc/11/73/63/1169117363.db2.gz UPBZOZPPPDMBBH-UHFFFAOYSA-N -2 3 314.261 0.483 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2nncn2C2CC2)c1 ZINC001602558937 1169118758 /nfs/dbraw/zinc/11/87/58/1169118758.db2.gz IAHOSSFTNHFVPI-UHFFFAOYSA-N -2 3 312.307 0.383 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603961855 1169453312 /nfs/dbraw/zinc/45/33/12/1169453312.db2.gz FXTXGQMSWQLXIN-XVNBXDOJSA-N -2 3 308.323 0.033 20 0 DCADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603961855 1169453315 /nfs/dbraw/zinc/45/33/15/1169453315.db2.gz FXTXGQMSWQLXIN-XVNBXDOJSA-N -2 3 308.323 0.033 20 0 DCADHL CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001604946793 1169758070 /nfs/dbraw/zinc/75/80/70/1169758070.db2.gz OZQCZDICHUNIRS-XCBNKYQSSA-N -2 3 305.352 0.972 20 0 DCADHL CCC(CC)([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OC ZINC001605010446 1169778301 /nfs/dbraw/zinc/77/83/01/1169778301.db2.gz JYPGYSWSOCQRQR-UHFFFAOYSA-N -2 3 307.368 0.502 20 0 DCADHL CC[C@@H](CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001605022574 1169783118 /nfs/dbraw/zinc/78/31/18/1169783118.db2.gz UECMGXLUXSMKMJ-LURJTMIESA-N -3 3 322.364 0.621 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001605065502 1169801836 /nfs/dbraw/zinc/80/18/36/1169801836.db2.gz SPRVJHAEQVMHSA-GFCCVEGCSA-N -2 3 324.366 0.559 20 0 DCADHL CCC[C@@H]([N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])C(=O)OC ZINC001605354815 1169902816 /nfs/dbraw/zinc/90/28/16/1169902816.db2.gz VGRAHAVZPIOPAX-SSDOTTSWSA-N -2 3 319.339 0.036 20 0 DCADHL CCN1C[C@@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1=O ZINC001605470691 1169931310 /nfs/dbraw/zinc/93/13/10/1169931310.db2.gz WULUAFQSGFHUGM-MRVPVSSYSA-N -2 3 316.335 0.125 20 0 DCADHL COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606432653 1170200376 /nfs/dbraw/zinc/20/03/76/1170200376.db2.gz CRGQDHWBWKYPJS-OHCKJTPYSA-N -2 3 303.292 0.374 20 0 DCADHL O=c1cc(Cn2cccc(-c3nnn[n-]3)c2=O)nc(C2CC2)[n-]1 ZINC001607092487 1170388331 /nfs/dbraw/zinc/38/83/31/1170388331.db2.gz VYCNFGDJFQZNIR-UHFFFAOYSA-N -2 3 311.305 0.450 20 0 DCADHL Cc1cc(S(=O)(=O)[N-]CC(=O)NCC2CC2)oc1C(=O)[O-] ZINC001607705563 1170497923 /nfs/dbraw/zinc/49/79/23/1170497923.db2.gz BLTXAZUBPGGIIS-UHFFFAOYSA-N -2 3 316.335 0.091 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]CCc2ccc(C)cn2)c1C(=O)[O-] ZINC001607776388 1170505108 /nfs/dbraw/zinc/50/51/08/1170505108.db2.gz FVNFMEYGPLORGJ-UHFFFAOYSA-N -2 3 324.362 0.641 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1C(=O)[O-] ZINC001607940016 1170528941 /nfs/dbraw/zinc/52/89/41/1170528941.db2.gz JVRSWEZHTLMLJQ-QMMMGPOBSA-N -2 3 303.340 0.264 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CS[C@H](C)C2)c1C(=O)[O-] ZINC001607940780 1170530079 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C[C@H](NS(=O)(=O)c1ncc[n-]1)c1cccc(-c2nn[n-]n2)c1 ZINC001575410094 1164002752 /nfs/dbraw/zinc/00/27/52/1164002752.db2.gz LFXAULDXMQNQJO-QMMMGPOBSA-N -2 3 319.350 0.629 20 0 DCADHL CC(C)(C(=O)[N-]OCCO)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589054270 1166633472 /nfs/dbraw/zinc/63/34/72/1166633472.db2.gz AFLSTZPZISOEKQ-UHFFFAOYSA-N -2 3 309.301 0.324 20 0 DCADHL CC(C)(C(=O)[N-]OCCO)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589054270 1166633476 /nfs/dbraw/zinc/63/34/76/1166633476.db2.gz AFLSTZPZISOEKQ-UHFFFAOYSA-N -2 3 309.301 0.324 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC001589370373 1166651928 /nfs/dbraw/zinc/65/19/28/1166651928.db2.gz XLBYDBKZTAXUJB-UHFFFAOYSA-N -2 3 321.362 0.779 20 0 DCADHL CC(C)=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC001589370373 1166651933 /nfs/dbraw/zinc/65/19/33/1166651933.db2.gz XLBYDBKZTAXUJB-UHFFFAOYSA-N -2 3 321.362 0.779 20 0 DCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]OCCO ZINC001589483304 1166661324 /nfs/dbraw/zinc/66/13/24/1166661324.db2.gz KYXCVFPDWFWCGG-GFCCVEGCSA-N -2 3 321.337 0.310 20 0 DCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]OCCO ZINC001589483304 1166661326 /nfs/dbraw/zinc/66/13/26/1166661326.db2.gz KYXCVFPDWFWCGG-GFCCVEGCSA-N -2 3 321.337 0.310 20 0 DCADHL CC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590393689 1166898159 /nfs/dbraw/zinc/89/81/59/1166898159.db2.gz LMYUCXQQAMKIKO-SECBINFHSA-N -2 3 323.378 0.859 20 0 DCADHL CC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590393689 1166898166 /nfs/dbraw/zinc/89/81/66/1166898166.db2.gz LMYUCXQQAMKIKO-SECBINFHSA-N -2 3 323.378 0.859 20 0 DCADHL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590409834 1166899903 /nfs/dbraw/zinc/89/99/03/1166899903.db2.gz KFRPYNGMKIUGTL-VIFPVBQESA-N -2 3 318.337 0.899 20 0 DCADHL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590409834 1166899907 /nfs/dbraw/zinc/89/99/07/1166899907.db2.gz KFRPYNGMKIUGTL-VIFPVBQESA-N -2 3 318.337 0.899 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001591387195 1167257835 /nfs/dbraw/zinc/25/78/35/1167257835.db2.gz RZIXMCAZLOACSL-CQSZACIVSA-N -2 3 318.337 0.498 20 0 DCADHL COC[C@@]1(C(=O)[O-])CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001591387195 1167257843 /nfs/dbraw/zinc/25/78/43/1167257843.db2.gz RZIXMCAZLOACSL-CQSZACIVSA-N -2 3 318.337 0.498 20 0 DCADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CSCC(=O)[O-] ZINC001592103480 1167456512 /nfs/dbraw/zinc/45/65/12/1167456512.db2.gz GZFAGSXPJAZINA-UHFFFAOYSA-N -2 3 307.335 0.931 20 0 DCADHL Cc1ccc(-c2nnn[n-]2)nc1NCC1(C(=O)[O-])CCOCC1 ZINC001592114620 1167459378 /nfs/dbraw/zinc/45/93/78/1167459378.db2.gz RFDJGTJJJZOMPP-UHFFFAOYSA-N -2 3 318.337 0.863 20 0 DCADHL Cc1noc(C)c1[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592459354 1167529207 /nfs/dbraw/zinc/52/92/07/1167529207.db2.gz HFUMCHAAAYCEJA-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Cc1noc(C)c1[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592459354 1167529210 /nfs/dbraw/zinc/52/92/10/1167529210.db2.gz HFUMCHAAAYCEJA-UHFFFAOYSA-N -2 3 321.322 0.667 20 0 DCADHL Nc1c(NC(=O)c2ncccc2[O-])ccc(F)c1-c1nnn[n-]1 ZINC001592756859 1167633384 /nfs/dbraw/zinc/63/33/84/1167633384.db2.gz MXABJDBZSWJIPD-UHFFFAOYSA-N -2 3 315.268 0.941 20 0 DCADHL Nc1c(NC(=O)c2ncccc2[O-])ccc(F)c1-c1nn[n-]n1 ZINC001592756859 1167633389 /nfs/dbraw/zinc/63/33/89/1167633389.db2.gz MXABJDBZSWJIPD-UHFFFAOYSA-N -2 3 315.268 0.941 20 0 DCADHL O=C(Cc1ccc(-c2nnn[n-]2)nc1)[N-]O[C@H]1CCCCO1 ZINC001592915826 1167666164 /nfs/dbraw/zinc/66/61/64/1167666164.db2.gz RYBMAVUPOBYGKM-LBPRGKRZSA-N -2 3 304.310 0.379 20 0 DCADHL O=C(NCCc1n[n-]c(=S)o1)c1ccc(-c2nnn[n-]2)s1 ZINC001593106654 1167708901 /nfs/dbraw/zinc/70/89/01/1167708901.db2.gz BJAXYVJXHDJNOK-UHFFFAOYSA-N -2 3 323.363 0.572 20 0 DCADHL O=C(NO[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593166243 1167729885 /nfs/dbraw/zinc/72/98/85/1167729885.db2.gz DTVLPXXQVDXQPA-NSHDSACASA-N -2 3 305.294 0.760 20 0 DCADHL O=C([O-])CCN(C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593278581 1167755098 /nfs/dbraw/zinc/75/50/98/1167755098.db2.gz NKFURBVNLSINPR-LLVKDONJSA-N -2 3 318.337 0.722 20 0 DCADHL O=C([O-])CCN(C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593278581 1167755104 /nfs/dbraw/zinc/75/51/04/1167755104.db2.gz NKFURBVNLSINPR-LLVKDONJSA-N -2 3 318.337 0.722 20 0 DCADHL O=c1cc(CN2CC[C@H](F)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001593538839 1167920958 /nfs/dbraw/zinc/92/09/58/1167920958.db2.gz JXROJRCBEFLKQC-ZETCQYMHSA-N -2 3 304.289 0.159 20 0 DCADHL Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)n1 ZINC001600064488 1168109753 /nfs/dbraw/zinc/10/97/53/1168109753.db2.gz OVKYFZYGKUKFIC-VHSXEESVSA-N -2 3 309.322 0.519 20 0 DCADHL Cc1conc1CS(=O)(=O)[N-]Cc1ncc(C(=O)[O-])s1 ZINC001600645573 1168229433 /nfs/dbraw/zinc/22/94/33/1168229433.db2.gz UHZJRURZMFFTRE-UHFFFAOYSA-N -2 3 317.348 0.757 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCSC2)c1C(=O)[O-] ZINC001600672497 1168241894 /nfs/dbraw/zinc/24/18/94/1168241894.db2.gz DMDBMOKMTSVKIZ-SSDOTTSWSA-N -2 3 305.381 0.590 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCOC2)c1C(=O)[O-] ZINC001600673365 1168244125 /nfs/dbraw/zinc/24/41/25/1168244125.db2.gz OYGZZHUABFMRNF-CBAPKCEASA-N -2 3 317.367 0.510 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)c1C(=O)[O-] ZINC001600672949 1168245054 /nfs/dbraw/zinc/24/50/54/1168245054.db2.gz LVDAKQSHYTYNFD-MRVPVSSYSA-N -2 3 324.362 0.893 20 0 DCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)c2cnn(C)c2)c1C(=O)[O-] ZINC001600673882 1168246061 /nfs/dbraw/zinc/24/60/61/1168246061.db2.gz WKMWTOWJFGNFOI-ZCFIWIBFSA-N -2 3 313.339 0.189 20 0 DCADHL Cc1nc(C)c(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c(=O)[n-]1 ZINC001600690944 1168253588 /nfs/dbraw/zinc/25/35/88/1168253588.db2.gz KGZRGXOOMOPMAU-CYBMUJFWSA-N -2 3 316.317 0.679 20 0 DCADHL Cn1c(CN2CC(C[N-]C(=O)C(F)(F)F)C2)ccc1C(=O)[O-] ZINC001600913398 1168505502 /nfs/dbraw/zinc/50/55/02/1168505502.db2.gz AJMZOIRAQVQBOD-UHFFFAOYSA-N -2 3 319.283 0.834 20 0 DCADHL O=C([O-])[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc2c(c1)CCO2 ZINC001601399601 1168732516 /nfs/dbraw/zinc/73/25/16/1168732516.db2.gz VXUGLZXXPPDEAT-CYBMUJFWSA-N -2 3 315.285 0.673 20 0 DCADHL O=C([O-])[C@H](Cn1ccnc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601426196 1168742435 /nfs/dbraw/zinc/74/24/35/1168742435.db2.gz UQKBINSALQYLKM-JTQLQIEISA-N -2 3 317.305 0.139 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)[n-]cn1)c1ccc(F)cc1 ZINC001601457531 1168753556 /nfs/dbraw/zinc/75/35/56/1168753556.db2.gz JCUOSDPTCHKLEP-JTQLQIEISA-N -2 3 305.265 0.920 20 0 DCADHL O=C([O-])C[C@@H]1CCCCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC001601949845 1168944979 /nfs/dbraw/zinc/94/49/79/1168944979.db2.gz SPFSUJDMFZLJTQ-LBPRGKRZSA-N -2 3 312.366 0.639 20 0 DCADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001601992898 1168954654 /nfs/dbraw/zinc/95/46/54/1168954654.db2.gz UFWKHEVELUUANW-UHFFFAOYSA-N -3 3 323.273 0.806 20 0 DCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])o1 ZINC001602398418 1169070873 /nfs/dbraw/zinc/07/08/73/1169070873.db2.gz CETQZOORXQXLBH-QMMMGPOBSA-N -3 3 317.319 0.757 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O ZINC001602487585 1169089001 /nfs/dbraw/zinc/08/90/01/1169089001.db2.gz BWBUTCLCTGTSKL-WCBMZHEXSA-N -2 3 303.336 0.807 20 0 DCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1cn2ccccc2n1 ZINC001602506758 1169101571 /nfs/dbraw/zinc/10/15/71/1169101571.db2.gz PSNOJJMOOPYYGA-UHFFFAOYSA-N -2 3 321.318 0.234 20 0 DCADHL CC(C)[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001603386488 1169304066 /nfs/dbraw/zinc/30/40/66/1169304066.db2.gz MJQXPZQHDZYWNO-LBPRGKRZSA-N -2 3 303.322 0.635 20 0 DCADHL CCC(CC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001604022718 1169473307 /nfs/dbraw/zinc/47/33/07/1169473307.db2.gz LMZAJUXMPUPVLB-UHFFFAOYSA-N -2 3 324.366 0.503 20 0 DCADHL CCC(CC)C(=O)[N-]S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001604022718 1169473310 /nfs/dbraw/zinc/47/33/10/1169473310.db2.gz LMZAJUXMPUPVLB-UHFFFAOYSA-N -2 3 324.366 0.503 20 0 DCADHL CCC/C=C/[C@H](O)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001604157073 1169507806 /nfs/dbraw/zinc/50/78/06/1169507806.db2.gz UBNOJYYRGLMYSS-GXWOQWCDSA-N -2 3 303.322 0.994 20 0 DCADHL CCC/C=C/[C@H](O)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001604157073 1169507807 /nfs/dbraw/zinc/50/78/07/1169507807.db2.gz UBNOJYYRGLMYSS-GXWOQWCDSA-N -2 3 303.322 0.994 20 0 DCADHL C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001604838654 1169702318 /nfs/dbraw/zinc/70/23/18/1169702318.db2.gz YCLSEKLIDYQXHO-JMCQJSRRSA-N -2 3 323.330 0.908 20 0 DCADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001605005485 1169776638 /nfs/dbraw/zinc/77/66/38/1169776638.db2.gz KVZBGPHQEUUWRH-SSDOTTSWSA-N -2 3 315.330 0.782 20 0 DCADHL COc1ccc(NC(=O)C2CC(C(=O)[O-])C2)cc1-c1nnn[n-]1 ZINC001605292740 1169890772 /nfs/dbraw/zinc/89/07/72/1169890772.db2.gz DRDYOHMBGJALEI-UHFFFAOYSA-N -2 3 317.305 0.925 20 0 DCADHL COc1ccc(NC(=O)C2CC(C(=O)[O-])C2)cc1-c1nn[n-]n1 ZINC001605292740 1169890778 /nfs/dbraw/zinc/89/07/78/1169890778.db2.gz DRDYOHMBGJALEI-UHFFFAOYSA-N -2 3 317.305 0.925 20 0 DCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)N(C)C1CCCCC1 ZINC001606325749 1170159930 /nfs/dbraw/zinc/15/99/30/1170159930.db2.gz OTUKJOJQCBNQIG-SNVBAGLBSA-N -2 3 322.383 0.102 20 0 DCADHL COC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001606401525 1170185448 /nfs/dbraw/zinc/18/54/48/1170185448.db2.gz WCHKEZUANICXNZ-DTWKUNHWSA-N -2 3 317.319 0.598 20 0 DCADHL COC(=O)[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C(=O)[O-] ZINC001606423040 1170195359 /nfs/dbraw/zinc/19/53/59/1170195359.db2.gz PPHGCXMNYIXVBQ-NXEZZACHSA-N -2 3 309.274 0.044 20 0 DCADHL COC(=O)/C=C/[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001606432524 1170200078 /nfs/dbraw/zinc/20/00/78/1170200078.db2.gz CRGQDHWBWKYPJS-MZTFZBDOSA-N -2 3 303.292 0.374 20 0 DCADHL COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001606504620 1170221602 /nfs/dbraw/zinc/22/16/02/1170221602.db2.gz CMRDDWQXEORTMD-MRVPVSSYSA-N -2 3 323.305 0.196 20 0 DCADHL O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606962238 1170341214 /nfs/dbraw/zinc/34/12/14/1170341214.db2.gz LHQSDFYKTRCVIP-GFCCVEGCSA-N -2 3 315.333 0.875 20 0 DCADHL CS(C)(=O)=NS(=O)(=O)[N-][C@H](C(=O)[O-])C1CCCCC1 ZINC001607387805 1170435275 /nfs/dbraw/zinc/43/52/75/1170435275.db2.gz QZPCDFQLCXVGCO-VIFPVBQESA-N -2 3 312.413 0.582 20 0 DCADHL Cc1nc2c(c(=O)[n-]1)CN(S(=O)(=O)CCCC(=O)[O-])C2 ZINC001607967823 1170535336 /nfs/dbraw/zinc/53/53/36/1170535336.db2.gz GVJDJPVQYZMWQF-UHFFFAOYSA-N -2 3 301.324 0.001 20 0 DCADHL O=C([O-])[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCOC1 ZINC001608363652 1170660105 /nfs/dbraw/zinc/66/01/05/1170660105.db2.gz URPGCIIVIZAZLS-MNOVXSKESA-N -2 3 311.309 0.927 20 0 DCADHL O=C([O-])c1cnn(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001608376089 1170662351 /nfs/dbraw/zinc/66/23/51/1170662351.db2.gz QIMDYZROSZFMQJ-UHFFFAOYSA-N -2 3 304.188 0.357 20 0 DCADHL O=C([O-])c1cnn(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001608376089 1170662354 /nfs/dbraw/zinc/66/23/54/1170662354.db2.gz QIMDYZROSZFMQJ-UHFFFAOYSA-N -2 3 304.188 0.357 20 0 DCADHL O=C([O-])c1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)no1 ZINC001608463744 1170686783 /nfs/dbraw/zinc/68/67/83/1170686783.db2.gz JYXFTVFHTHMSAV-UHFFFAOYSA-N -2 3 304.262 0.676 20 0 DCADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001608493327 1170691378 /nfs/dbraw/zinc/69/13/78/1170691378.db2.gz KLBHZJHZVSSSKX-ITMYJUKJSA-N -2 3 314.305 0.245 20 0 DCADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001608493327 1170691384 /nfs/dbraw/zinc/69/13/84/1170691384.db2.gz KLBHZJHZVSSSKX-ITMYJUKJSA-N -2 3 314.305 0.245 20 0 DCADHL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]C1(c2ncon2)CC1 ZINC001608626650 1170724918 /nfs/dbraw/zinc/72/49/18/1170724918.db2.gz MMHBMZHUBWLHEW-RKDXNWHRSA-N -2 3 315.351 0.622 20 0 DCADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1(c2nc[nH]n2)CCC1 ZINC001608956040 1170775212 /nfs/dbraw/zinc/77/52/12/1170775212.db2.gz CALGPKIRYSZXPA-UHFFFAOYSA-N -2 3 312.307 0.454 20 0 DCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H](O)c2ccco2)c1 ZINC001608990891 1170781742 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