smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n2ncc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c2n1 ZINC001123267712 939817206 /nfs/dbraw/zinc/81/72/06/939817206.db2.gz JKKZNEVYSGMIHR-QFIPXVFZSA-N -1 3 407.474 2.195 20 0 HEADHM O=C([O-])[C@@]1(NC(=O)c2cccc(-n3ccnn3)c2)CCCN(Cc2ccccc2)C1 ZINC001123372782 939823191 /nfs/dbraw/zinc/82/31/91/939823191.db2.gz UWJVTDNNWGMTHQ-JOCHJYFZSA-N -1 3 405.458 2.117 20 0 HEADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2c(C)nn(C)c2C)cc1F ZINC000769673619 1078515205 /nfs/dbraw/zinc/51/52/05/1078515205.db2.gz QIHWAWGNOYAYKI-UHFFFAOYSA-N -1 3 405.473 2.095 20 0 HEADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)c(Br)cc1F ZINC000769691414 1078521808 /nfs/dbraw/zinc/52/18/08/1078521808.db2.gz NMOWCDXRYOVYBN-IUCAKERBSA-N -1 3 410.261 2.221 20 0 HEADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(Br)nc3)CC2)n[n-]1 ZINC000769767107 1078546387 /nfs/dbraw/zinc/54/63/87/1078546387.db2.gz QRTCNJVWYIDREG-UHFFFAOYSA-N -1 3 408.256 2.159 20 0 HEADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(Br)nc3)CC2)[n-]1 ZINC000769767107 1078546391 /nfs/dbraw/zinc/54/63/91/1078546391.db2.gz QRTCNJVWYIDREG-UHFFFAOYSA-N -1 3 408.256 2.159 20 0 HEADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccnc(Br)c3)CC2)n[n-]1 ZINC000769772014 1078549281 /nfs/dbraw/zinc/54/92/81/1078549281.db2.gz SZPISHVIXPRZLT-UHFFFAOYSA-N -1 3 408.256 2.159 20 0 HEADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccnc(Br)c3)CC2)[n-]1 ZINC000769772014 1078549287 /nfs/dbraw/zinc/54/92/87/1078549287.db2.gz SZPISHVIXPRZLT-UHFFFAOYSA-N -1 3 408.256 2.159 20 0 HEADHM COC(=O)Nc1ccc(C(=O)OCC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1[O-] ZINC000745650380 1078575296 /nfs/dbraw/zinc/57/52/96/1078575296.db2.gz CTLNUBRMUAJEKY-GUYCJALGSA-N -1 3 408.451 2.439 20 0 HEADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3Br)C2)nc1Cl ZINC000769899183 1078620859 /nfs/dbraw/zinc/62/08/59/1078620859.db2.gz HHYHNDFGRNFSSK-JTQLQIEISA-N -1 3 419.732 2.393 20 0 HEADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](OC)C(C)C)c(Br)cc1F ZINC000745941185 1078696383 /nfs/dbraw/zinc/69/63/83/1078696383.db2.gz PVLJDLAXVXRDAF-LBPRGKRZSA-N -1 3 412.277 2.324 20 0 HEADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000770033621 1078697554 /nfs/dbraw/zinc/69/75/54/1078697554.db2.gz DJIPPOIPWCLFOW-GOSISDBHSA-N -1 3 402.516 2.461 20 0 HEADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000770107473 1078721898 /nfs/dbraw/zinc/72/18/98/1078721898.db2.gz KWXDNLWUUFLUIO-CYBMUJFWSA-N -1 3 421.397 2.161 20 0 HEADHM C[C@H](NC(=O)[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000770104586 1078726473 /nfs/dbraw/zinc/72/64/73/1078726473.db2.gz QICGKVBLNBDLPN-HUBLWGQQSA-N -1 3 418.943 2.413 20 0 HEADHM Cc1cc(C)c(NC(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c(Cl)c1 ZINC000770105696 1078727074 /nfs/dbraw/zinc/72/70/74/1078727074.db2.gz XHRNHBBLMFLTCO-OAHLLOKOSA-N -1 3 404.916 2.402 20 0 HEADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCC1(c2ccccc2)CCCC1 ZINC000770105206 1078727957 /nfs/dbraw/zinc/72/79/57/1078727957.db2.gz STOZTPSFVGCJGR-SFHVURJKSA-N -1 3 424.563 2.122 20 0 HEADHM CC[C@@H](NC(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc(Cl)cc1 ZINC000770113886 1078734468 /nfs/dbraw/zinc/73/44/68/1078734468.db2.gz JZEMWSQWXRVFNO-ZBFHGGJFSA-N -1 3 418.943 2.414 20 0 HEADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000770114411 1078734875 /nfs/dbraw/zinc/73/48/75/1078734875.db2.gz LNRDFWUIHYJSRG-CYBMUJFWSA-N -1 3 411.307 2.439 20 0 HEADHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000770114364 1078735352 /nfs/dbraw/zinc/73/53/52/1078735352.db2.gz YPIGRPHOQZUFPG-KEYYUXOJSA-N -1 3 410.536 2.250 20 0 HEADHM COc1cc(F)cc(CNC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000770226141 1078775194 /nfs/dbraw/zinc/77/51/94/1078775194.db2.gz JDVYKDAEKWASNP-NSHDSACASA-N -1 3 415.874 2.256 20 0 HEADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H](C)COc2ccccc2)CCCC1 ZINC000746151071 1078807531 /nfs/dbraw/zinc/80/75/31/1078807531.db2.gz CQZYQFABPOYAQA-CQSZACIVSA-N -1 3 421.519 2.466 20 0 HEADHM COC(=O)C[C@]1([N-]S(=O)(=O)c2sc(C)cc2Br)CCCOC1 ZINC000770302934 1078824325 /nfs/dbraw/zinc/82/43/25/1078824325.db2.gz VSLGZMRXYILWME-CYBMUJFWSA-N -1 3 412.327 2.210 20 0 HEADHM CCC1N=NC(=S)N1CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000746301592 1078847512 /nfs/dbraw/zinc/84/75/12/1078847512.db2.gz HZTHMCOWKKMBST-UHFFFAOYSA-N -1 3 422.308 2.163 20 0 HEADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCCNC(=O)OC(C)(C)C)c1 ZINC000770480635 1078876251 /nfs/dbraw/zinc/87/62/51/1078876251.db2.gz DESLHNATEYPGJF-UHFFFAOYSA-N -1 3 404.423 2.195 20 0 HEADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](c2ccc(F)cc2)N(C)C)c1F ZINC000746402876 1078900748 /nfs/dbraw/zinc/90/07/48/1078900748.db2.gz HBIZHHCPPLPKQJ-AWEZNQCLSA-N -1 3 416.421 2.472 20 0 HEADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(Cl)s1 ZINC000770659542 1078923005 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413.970 2.287 20 0 HEADHM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000770694487 1078962757 /nfs/dbraw/zinc/96/27/57/1078962757.db2.gz YLIGUQIRFYRBBR-UHFFFAOYSA-N -1 3 418.446 2.414 20 0 HEADHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c1 ZINC000770699395 1078966593 /nfs/dbraw/zinc/96/65/93/1078966593.db2.gz OQFKGVRRYIVYGT-LLVKDONJSA-N -1 3 409.938 2.125 20 0 HEADHM Cc1cnc([C@H](C)OC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000770971448 1079091770 /nfs/dbraw/zinc/09/17/70/1079091770.db2.gz QWOHPUASUPOANH-QMMMGPOBSA-N -1 3 409.283 2.390 20 0 HEADHM C[N-]S(=O)(=O)c1cc(-c2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)c(C)o1 ZINC000771126951 1079150838 /nfs/dbraw/zinc/15/08/38/1079150838.db2.gz YKRNSEDVACIYBQ-JTQLQIEISA-N -1 3 414.484 2.344 20 0 HEADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=O)cc1F ZINC000771163509 1079177708 /nfs/dbraw/zinc/17/77/08/1079177708.db2.gz KNYQWECORRVBFF-UHFFFAOYSA-N -1 3 407.828 2.431 20 0 HEADHM CC(=O)c1ccc(C)cc1OS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771167221 1079205623 /nfs/dbraw/zinc/20/56/23/1079205623.db2.gz CXYHXPPCTFTEEV-UHFFFAOYSA-N -1 3 401.437 2.476 20 0 HEADHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000766727958 1079320234 /nfs/dbraw/zinc/32/02/34/1079320234.db2.gz LQDBXKVQQACFJU-GXFFZTMASA-N -1 3 420.915 2.447 20 0 HEADHM C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)[N-]OCC(F)(F)F ZINC000766774408 1079356067 /nfs/dbraw/zinc/35/60/67/1079356067.db2.gz FOWPDZUOJWILLU-MRVPVSSYSA-N -1 3 404.204 2.469 20 0 HEADHM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2[O-])C1=O ZINC000771555867 1079383854 /nfs/dbraw/zinc/38/38/54/1079383854.db2.gz QRPYWIQWUQZSFO-LJQANCHMSA-N -1 3 403.822 2.460 20 0 HEADHM C[C@@H](CC(=O)c1ccco1)NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000771565121 1079386991 /nfs/dbraw/zinc/38/69/91/1079386991.db2.gz NXWPQGIONXMNGT-JTQLQIEISA-N -1 3 412.414 2.390 20 0 HEADHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCC23OCCO3)cc1Cl 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ZINC000744520803 1077437941 /nfs/dbraw/zinc/43/79/41/1077437941.db2.gz LXHMSKCLVXKONZ-UHFFFAOYSA-N -1 3 422.381 2.254 20 0 HEADHM CN(C(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1cnn(C)c1 ZINC000744596400 1077507327 /nfs/dbraw/zinc/50/73/27/1077507327.db2.gz UGWOZTIOXIZBBX-UHFFFAOYSA-N -1 3 403.291 2.444 20 0 HEADHM Cc1nc(C)c(CCC(=O)N2CCn3c(CCc4ccccc4)nnc3C2)c(=O)[n-]1 ZINC000744599418 1077509307 /nfs/dbraw/zinc/50/93/07/1077509307.db2.gz URNJFDDQZMQFEG-UHFFFAOYSA-N -1 3 406.490 2.151 20 0 HEADHM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NCc1ccc(F)cc1 ZINC000744725772 1077557603 /nfs/dbraw/zinc/55/76/03/1077557603.db2.gz PKAHWXKKWUEUKR-KDOFPFPSSA-N -1 3 414.433 2.384 20 0 HEADHM CCc1cnc(COC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000744911954 1077663966 /nfs/dbraw/zinc/66/39/66/1077663966.db2.gz ZFCFLTFFNVLWFD-UHFFFAOYSA-N -1 3 409.283 2.083 20 0 HEADHM CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)C(=O)c1ccccc1 ZINC000745144760 1077756034 /nfs/dbraw/zinc/75/60/34/1077756034.db2.gz FIWRTLJFLCCVCR-QGZVFWFLSA-N -1 3 411.501 2.083 20 0 HEADHM O=C(OCc1coc(-c2ccccc2)n1)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000745146079 1077757335 /nfs/dbraw/zinc/75/73/35/1077757335.db2.gz QKKOHDFFYHECKF-UHFFFAOYSA-N -1 3 408.457 2.031 20 0 HEADHM CNC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CCCC1 ZINC000747262613 1079567080 /nfs/dbraw/zinc/56/70/80/1079567080.db2.gz JFPWNSZABLSFTO-UHFFFAOYSA-N -1 3 409.291 2.117 20 0 HEADHM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1Br)NCc1ccccc1 ZINC000771935412 1079589954 /nfs/dbraw/zinc/58/99/54/1079589954.db2.gz PAUJSYJLNICDQJ-UHFFFAOYSA-N -1 3 401.257 2.183 20 0 HEADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)Cc2ccccc2)ccc1F ZINC000767099244 1079656925 /nfs/dbraw/zinc/65/69/25/1079656925.db2.gz CFWPPPQLJYNZKL-MRXNPFEDSA-N -1 3 408.495 2.236 20 0 HEADHM C[C@]1(c2ccccc2)NC(=O)N(c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1=O ZINC000772054635 1079673884 /nfs/dbraw/zinc/67/38/84/1079673884.db2.gz RUPRTYZDFWXZTB-LJQANCHMSA-N -1 3 403.435 2.238 20 0 HEADHM O=C(CN1CCC(C(=O)NCCc2cccs2)CC1)[N-]OCc1ccccc1 ZINC000772203717 1079762952 /nfs/dbraw/zinc/76/29/52/1079762952.db2.gz ZYGDUXLAVJMKTE-UHFFFAOYSA-N -1 3 401.532 2.367 20 0 HEADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1)C[C@@H]1CCCO1 ZINC000772260568 1079767270 /nfs/dbraw/zinc/76/72/70/1079767270.db2.gz JZGPLZXQMAJTNX-ZDUSSCGKSA-N -1 3 409.508 2.097 20 0 HEADHM COC(=O)/C=C/c1ccc(OCCOC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000767449831 1079876924 /nfs/dbraw/zinc/87/69/24/1079876924.db2.gz NHXUZVUDASFVMP-LFYBBSHMSA-N -1 3 419.455 2.480 20 0 HEADHM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2)n(C)n1 ZINC000767601361 1079999133 /nfs/dbraw/zinc/99/91/33/1079999133.db2.gz NQPOIEBWIHOAAY-NSHDSACASA-N -1 3 404.323 2.378 20 0 HEADHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)C=Cc3ccc(F)cc3)CC2)n[n-]1 ZINC000767662621 1080025696 /nfs/dbraw/zinc/02/56/96/1080025696.db2.gz JLBSAYIAZUNUDV-FMIVXFBMSA-N -1 3 408.455 2.301 20 0 HEADHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)C=Cc3ccc(F)cc3)CC2)[n-]1 ZINC000767662621 1080025708 /nfs/dbraw/zinc/02/57/08/1080025708.db2.gz JLBSAYIAZUNUDV-FMIVXFBMSA-N -1 3 408.455 2.301 20 0 HEADHM COCCOC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@H]3[C@@H](C)O)nc(=O)c2c1C ZINC000785547132 1080052647 /nfs/dbraw/zinc/05/26/47/1080052647.db2.gz SKVAMOABKWIFAJ-YUTCNCBUSA-N -1 3 423.535 2.078 20 0 HEADHM COC(=O)[C@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1cccnc1 ZINC000767778755 1080085034 /nfs/dbraw/zinc/08/50/34/1080085034.db2.gz OIQJLBVDDMGEKF-CQSZACIVSA-N -1 3 421.331 2.466 20 0 HEADHM CCC1N=NC(=S)N1CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000767949222 1080238838 /nfs/dbraw/zinc/23/88/38/1080238838.db2.gz MJZCBZDCMHQWBF-UHFFFAOYSA-N -1 3 422.308 2.163 20 0 HEADHM Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000768011413 1080264807 /nfs/dbraw/zinc/26/48/07/1080264807.db2.gz IEPLGKRWSQCSHV-AWEZNQCLSA-N -1 3 409.487 2.008 20 0 HEADHM COC(=O)[C@@H]1CCC[C@@H](OC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)C1 ZINC000785953669 1080314226 /nfs/dbraw/zinc/31/42/26/1080314226.db2.gz WTFCKXVNRJIUGL-RHSMWYFYSA-N -1 3 413.492 2.491 20 0 HEADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000786034891 1080381798 /nfs/dbraw/zinc/38/17/98/1080381798.db2.gz XZRXVFQSNISPME-LLVKDONJSA-N -1 3 405.432 2.195 20 0 HEADHM CC(C)[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000786139066 1080415096 /nfs/dbraw/zinc/41/50/96/1080415096.db2.gz XHVDSTVPXNFBLD-BLLLJJGKSA-N -1 3 411.501 2.092 20 0 HEADHM COC(=O)C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(OC)cc1OC ZINC000768267718 1080450742 /nfs/dbraw/zinc/45/07/42/1080450742.db2.gz CRKHUKNOZPFARY-WQJNHMDYSA-N -1 3 410.426 2.209 20 0 HEADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000786137385 1080458721 /nfs/dbraw/zinc/45/87/21/1080458721.db2.gz MZCPZFBFEXKMFW-ZDUSSCGKSA-N -1 3 412.471 2.291 20 0 HEADHM NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000768292038 1080462177 /nfs/dbraw/zinc/46/21/77/1080462177.db2.gz JKQXLIWATYERAO-UHFFFAOYSA-N -1 3 419.684 2.386 20 0 HEADHM CC(C)(C)OC(=O)NC[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000768315178 1080503488 /nfs/dbraw/zinc/50/34/88/1080503488.db2.gz QWMJMGSEDDBSFG-KRWDZBQOSA-N -1 3 405.495 2.322 20 0 HEADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3cncc(Br)c3)n2N)n1 ZINC000768396411 1080541930 /nfs/dbraw/zinc/54/19/30/1080541930.db2.gz NVBBGDRJVSCQCR-QMMMGPOBSA-N -1 3 408.285 2.474 20 0 HEADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCc2ccn(C(C)C)n2)CCCC1 ZINC000786297243 1080542101 /nfs/dbraw/zinc/54/21/01/1080542101.db2.gz ZKUIMCAPPORNIG-UHFFFAOYSA-N -1 3 410.496 2.403 20 0 HEADHM Cc1c([O-])ccc2c(CSc3nnc(-c4n[nH]c5c4CCC5)n3N)cc(=O)oc12 ZINC000768428044 1080549258 /nfs/dbraw/zinc/54/92/58/1080549258.db2.gz SGAHGESWRSOLSQ-UHFFFAOYSA-N -1 3 410.459 2.283 20 0 HEADHM O=C(Nc1cccc2c1OCC[C@@H]2O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000768455288 1080579557 /nfs/dbraw/zinc/57/95/57/1080579557.db2.gz FYZDQKJMZMRCMC-AWEZNQCLSA-N -1 3 424.425 2.474 20 0 HEADHM Cn1cnc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)n1 ZINC000768519301 1080622451 /nfs/dbraw/zinc/62/24/51/1080622451.db2.gz VLZBRUIJVJYGEX-UHFFFAOYSA-N -1 3 423.857 2.338 20 0 HEADHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cc(OC)c(OC)cc2C=O)c1C ZINC000768566955 1080634711 /nfs/dbraw/zinc/63/47/11/1080634711.db2.gz VNOUSQDNUSIXII-UHFFFAOYSA-N -1 3 411.432 2.406 20 0 HEADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](OC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000786465783 1080644416 /nfs/dbraw/zinc/64/44/16/1080644416.db2.gz RMTPUFFCWVXHIP-HAQNSBGRSA-N -1 3 402.444 2.410 20 0 HEADHM C[C@H](CC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000768657254 1080702972 /nfs/dbraw/zinc/70/29/72/1080702972.db2.gz TUMXSDMAVWNXPH-XHBKTUGNSA-N -1 3 415.943 2.113 20 0 HEADHM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(-c3ncn(C)n3)cc2)c1C ZINC000786906076 1080877720 /nfs/dbraw/zinc/87/77/20/1080877720.db2.gz OOXDUKFFMUQMHP-UHFFFAOYSA-N -1 3 404.448 2.371 20 0 HEADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)c1 ZINC000786886497 1080886747 /nfs/dbraw/zinc/88/67/47/1080886747.db2.gz HTZQWOWJQDPLLH-UHFFFAOYSA-N -1 3 401.897 2.285 20 0 HEADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)[C@@H]1CCCOC1 ZINC000769062755 1080918425 /nfs/dbraw/zinc/91/84/25/1080918425.db2.gz ITPJJVNXFUTMOQ-LLVKDONJSA-N -1 3 424.302 2.201 20 0 HEADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)[C@@H]2CCCOC2)ccc1F ZINC000769073763 1080926377 /nfs/dbraw/zinc/92/63/77/1080926377.db2.gz LHFJZZLVRHJWLB-CYBMUJFWSA-N -1 3 401.456 2.055 20 0 HEADHM COc1ccc(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1O ZINC000769376548 1081057345 /nfs/dbraw/zinc/05/73/45/1081057345.db2.gz BKOPKGANMPYLBO-UHFFFAOYSA-N -1 3 412.414 2.050 20 0 HEADHM CCc1ccc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c([O-])c1 ZINC000787197397 1081058761 /nfs/dbraw/zinc/05/87/61/1081058761.db2.gz RAZAHKQMLZTXSX-UHFFFAOYSA-N -1 3 403.504 2.289 20 0 HEADHM O=C(Nc1cccc(-n2ccnn2)c1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000769336385 1081061367 /nfs/dbraw/zinc/06/13/67/1081061367.db2.gz KXBUSIJIIQWLDT-UHFFFAOYSA-N -1 3 419.413 2.239 20 0 HEADHM C[C@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769443373 1081076454 /nfs/dbraw/zinc/07/64/54/1081076454.db2.gz VHCRFTLARVFXSZ-LLVKDONJSA-N -1 3 412.355 2.329 20 0 HEADHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000769611894 1081170742 /nfs/dbraw/zinc/17/07/42/1081170742.db2.gz SWIDAUGBERJZBK-JSGCOSHPSA-N -1 3 412.355 2.063 20 0 HEADHM O=C1[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2CN1Cc1ccncc1 ZINC001164854689 720811880 /nfs/dbraw/zinc/81/18/80/720811880.db2.gz VIPCPHFOVSDJPP-VXGBXAGGSA-N -1 3 411.865 2.453 20 0 HEADHM CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc[n-]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897454 721430168 /nfs/dbraw/zinc/43/01/68/721430168.db2.gz UDMXDSOCCDANKQ-KUHUBIRLSA-N -1 3 420.608 2.140 20 0 HEADHM S=c1nc2[n-]cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c-2s1 ZINC001164980292 722137243 /nfs/dbraw/zinc/13/72/43/722137243.db2.gz MPAGWUNUMDWBPA-CABCVRRESA-N -1 3 414.560 2.497 20 0 HEADHM Cc1cc(-n2cncn2)ccc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123267719 939816928 /nfs/dbraw/zinc/81/69/28/939816928.db2.gz JSAPTQYQYWTMRE-HSZRJFAPSA-N -1 3 419.485 2.425 20 0 HEADHM O=C(COCCOc1ccccc1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123372257 939821526 /nfs/dbraw/zinc/82/15/26/939821526.db2.gz KFVKFDGXVRMLBC-HSZRJFAPSA-N -1 3 412.486 2.318 20 0 HEADHM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-]c2nncn2-c2ccccc2)cc1 ZINC000769653466 1078487335 /nfs/dbraw/zinc/48/73/35/1078487335.db2.gz IJUDWNGUZWITTF-UHFFFAOYSA-N -1 3 415.400 2.465 20 0 HEADHM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000769697237 1078524096 /nfs/dbraw/zinc/52/40/96/1078524096.db2.gz SFWBCYBLIYBOGY-GOSISDBHSA-N -1 3 400.472 2.072 20 0 HEADHM CCOC(=O)c1nc(C2CCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CC2)n[n-]1 ZINC000769768278 1078546909 /nfs/dbraw/zinc/54/69/09/1078546909.db2.gz FYVDHAWSGGTCCO-UHFFFAOYSA-N -1 3 421.498 2.087 20 0 HEADHM CCOC(=O)c1nnc(C2CCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CC2)[n-]1 ZINC000769768278 1078546913 /nfs/dbraw/zinc/54/69/13/1078546913.db2.gz FYVDHAWSGGTCCO-UHFFFAOYSA-N -1 3 421.498 2.087 20 0 HEADHM Cn1ccnc1[C@@H]1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000769770462 1078547920 /nfs/dbraw/zinc/54/79/20/1078547920.db2.gz NNYXFTQQFPIWEU-GFCCVEGCSA-N -1 3 424.473 2.159 20 0 HEADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)n[n-]1 ZINC000769787035 1078565840 /nfs/dbraw/zinc/56/58/40/1078565840.db2.gz OEIYCHKCBACMQJ-OLZOCXBDSA-N -1 3 423.514 2.237 20 0 HEADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)[n-]1 ZINC000769787035 1078565846 /nfs/dbraw/zinc/56/58/46/1078565846.db2.gz OEIYCHKCBACMQJ-OLZOCXBDSA-N -1 3 423.514 2.237 20 0 HEADHM COC(=O)Nc1ccc(C(=O)OCC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1[O-] ZINC000745650867 1078576223 /nfs/dbraw/zinc/57/62/23/1078576223.db2.gz MVMQNJIPXGJXKV-QGZVFWFLSA-N -1 3 414.414 2.044 20 0 HEADHM COC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc32)cc1[O-] ZINC000745651366 1078577057 /nfs/dbraw/zinc/57/70/57/1078577057.db2.gz YSHAIVCBFYWAFP-UHFFFAOYSA-N -1 3 402.388 2.371 20 0 HEADHM COc1ccc(C)cc1C1(C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CCOCC1 ZINC000769897730 1078620402 /nfs/dbraw/zinc/62/04/02/1078620402.db2.gz VZNPRLPORZVCFJ-UHFFFAOYSA-N -1 3 413.927 2.417 20 0 HEADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3OC(F)F)C2)nc1Cl ZINC000769899877 1078623288 /nfs/dbraw/zinc/62/32/88/1078623288.db2.gz MTLRMMZTPPPKDK-SNVBAGLBSA-N -1 3 406.842 2.232 20 0 HEADHM Cn1cc(S(=O)(=O)[N-]C[C@H](c2cccc(Cl)c2)N2CCOCC2)nc1Cl ZINC000769901995 1078625326 /nfs/dbraw/zinc/62/53/26/1078625326.db2.gz WFFNTCWMVRLKNJ-CQSZACIVSA-N -1 3 419.334 2.079 20 0 HEADHM C[C@H](NC(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1ccc2c(c1)CCCC2 ZINC000770101400 1078725096 /nfs/dbraw/zinc/72/50/96/1078725096.db2.gz DLUZRBNNVKWBAB-LIRRHRJNSA-N -1 3 424.563 2.250 20 0 HEADHM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770102167 1078725536 /nfs/dbraw/zinc/72/55/36/1078725536.db2.gz FWJQXYFLHRNQBT-BXUZGUMPSA-N -1 3 402.538 2.243 20 0 HEADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCC1(c2ccccc2)CCCC1 ZINC000770105204 1078727943 /nfs/dbraw/zinc/72/79/43/1078727943.db2.gz STOZTPSFVGCJGR-GOSISDBHSA-N -1 3 424.563 2.122 20 0 HEADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000770110365 1078732955 /nfs/dbraw/zinc/73/29/55/1078732955.db2.gz JSPFCNOUNFQOER-ZQIUZPCESA-N -1 3 412.552 2.322 20 0 HEADHM Cn1ccnc1COc1ccc(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000770112371 1078733888 /nfs/dbraw/zinc/73/38/88/1078733888.db2.gz PAGBOFKVYHXLMC-KRWDZBQOSA-N -1 3 409.508 2.006 20 0 HEADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000770114413 1078734979 /nfs/dbraw/zinc/73/49/79/1078734979.db2.gz LNRDFWUIHYJSRG-ZDUSSCGKSA-N -1 3 411.307 2.439 20 0 HEADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1N1CCOC1=O ZINC000746056789 1078766144 /nfs/dbraw/zinc/76/61/44/1078766144.db2.gz YLWYYJWIUCLXGN-UHFFFAOYSA-N -1 3 403.416 2.083 20 0 HEADHM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000770267503 1078799021 /nfs/dbraw/zinc/79/90/21/1078799021.db2.gz GKZXVPRHYZYXAK-UHFFFAOYSA-N -1 3 417.294 2.096 20 0 HEADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H](C)COc2ccccc2)CCCC1 ZINC000746151070 1078807482 /nfs/dbraw/zinc/80/74/82/1078807482.db2.gz CQZYQFABPOYAQA-AWEZNQCLSA-N -1 3 421.519 2.466 20 0 HEADHM COC(=O)C[C@]1([N-]S(=O)(=O)c2cc(C)c(Br)s2)CCCOC1 ZINC000770290979 1078810238 /nfs/dbraw/zinc/81/02/38/1078810238.db2.gz CDBQJYMVRDXGJY-CYBMUJFWSA-N -1 3 412.327 2.210 20 0 HEADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(C)o1 ZINC000746264898 1078838160 /nfs/dbraw/zinc/83/81/60/1078838160.db2.gz UOMGMDOAZVMYAZ-DOTOQJQBSA-N -1 3 410.467 2.364 20 0 HEADHM CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1N)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000746256277 1078834022 /nfs/dbraw/zinc/83/40/22/1078834022.db2.gz YZSMTDOQZGPYTP-INIZCTEOSA-N -1 3 401.373 2.395 20 0 HEADHM CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC001168776523 1078854171 /nfs/dbraw/zinc/85/41/71/1078854171.db2.gz UQLKZEFOCCWOCD-CQSZACIVSA-N -1 3 420.535 2.136 20 0 HEADHM O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)NN1CC(=O)[N-]C1=O ZINC000770494685 1078879362 /nfs/dbraw/zinc/87/93/62/1078879362.db2.gz YSTLGCMXNIHPCU-UHFFFAOYSA-N -1 3 400.235 2.235 20 0 HEADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](c2ccc(F)cc2)N(C)C)c1F ZINC000746402879 1078900675 /nfs/dbraw/zinc/90/06/75/1078900675.db2.gz HBIZHHCPPLPKQJ-CQSZACIVSA-N -1 3 416.421 2.472 20 0 HEADHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3n[nH]c(C)n3)c2)cc1 ZINC000770641966 1078909828 /nfs/dbraw/zinc/90/98/28/1078909828.db2.gz BOGHWNBMJNDGLE-UHFFFAOYSA-N -1 3 402.432 2.280 20 0 HEADHM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000770665643 1078925607 /nfs/dbraw/zinc/92/56/07/1078925607.db2.gz PTNBFWIPVSBGJR-ZCFIWIBFSA-N -1 3 415.864 2.051 20 0 HEADHM CCc1nc(CC[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)cs1 ZINC000770675389 1078928543 /nfs/dbraw/zinc/92/85/43/1078928543.db2.gz KDHDPVCNDFVCAZ-UHFFFAOYSA-N -1 3 414.983 2.345 20 0 HEADHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000770688131 1078957230 /nfs/dbraw/zinc/95/72/30/1078957230.db2.gz VLJLEZDZXDBQSR-QWRGUYRKSA-N -1 3 415.002 2.346 20 0 HEADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c(Cl)s1 ZINC000770699558 1078967643 /nfs/dbraw/zinc/96/76/43/1078967643.db2.gz RBAYCGRDHDKHPU-QWRGUYRKSA-N -1 3 415.986 2.415 20 0 HEADHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000770701295 1078968811 /nfs/dbraw/zinc/96/88/11/1078968811.db2.gz YIQAAVGJFCTRRR-ZETCQYMHSA-N -1 3 412.942 2.492 20 0 HEADHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000770701293 1078969018 /nfs/dbraw/zinc/96/90/18/1078969018.db2.gz YIQAAVGJFCTRRR-SSDOTTSWSA-N -1 3 412.942 2.492 20 0 HEADHM CC(=O)Nc1ccc2c(CN3CCN(C(=O)c4ccccc4[O-])CC3)cc(=O)oc2c1 ZINC000746457291 1078995161 /nfs/dbraw/zinc/99/51/61/1078995161.db2.gz NXHQHWJEFAJIMB-UHFFFAOYSA-N -1 3 421.453 2.415 20 0 HEADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC001168938944 1079080078 /nfs/dbraw/zinc/08/00/78/1079080078.db2.gz MMZBEAQLSMIUBE-LBPRGKRZSA-N -1 3 414.466 2.094 20 0 HEADHM COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1OC ZINC001168938787 1079080152 /nfs/dbraw/zinc/08/01/52/1079080152.db2.gz KAEXIAJUZGLCKS-CMPLNLGQSA-N -1 3 412.446 2.258 20 0 HEADHM COc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OCc3ccnn3C)c2)cc1 ZINC000766530252 1079076767 /nfs/dbraw/zinc/07/67/67/1079076767.db2.gz XDIRBMCMTNGLJT-UHFFFAOYSA-N -1 3 417.443 2.292 20 0 HEADHM O=C(OCc1ncn(-c2ccccc2)n1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000770947453 1079088132 /nfs/dbraw/zinc/08/81/32/1079088132.db2.gz XKXYCKMQOMUDRO-UHFFFAOYSA-N -1 3 416.434 2.204 20 0 HEADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@H](O)C(C)C)c2)c1 ZINC000771053150 1079114734 /nfs/dbraw/zinc/11/47/34/1079114734.db2.gz LYJDBZHYMUYEEV-IBGZPJMESA-N -1 3 402.447 2.408 20 0 HEADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c1C ZINC000771131935 1079184328 /nfs/dbraw/zinc/18/43/28/1079184328.db2.gz BMYVDCFFNFZOBD-UHFFFAOYSA-N -1 3 420.535 2.361 20 0 HEADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccnc2Br)cc1F ZINC000771132826 1079184818 /nfs/dbraw/zinc/18/48/18/1079184818.db2.gz KKJYQWKALKKTPZ-UHFFFAOYSA-N -1 3 424.273 2.156 20 0 HEADHM CC(C)[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)c1ccccn1 ZINC000771181972 1079211828 /nfs/dbraw/zinc/21/18/28/1079211828.db2.gz KLHJJVFBJQMIBZ-MRXNPFEDSA-N -1 3 401.485 2.268 20 0 HEADHM CC(C)Oc1cccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000771174648 1079208947 /nfs/dbraw/zinc/20/89/47/1079208947.db2.gz XWJYRVPVESMULO-UHFFFAOYSA-N -1 3 416.496 2.463 20 0 HEADHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001169542256 1079327536 /nfs/dbraw/zinc/32/75/36/1079327536.db2.gz VLIXFRUSWUEIGN-MAUKXSAKSA-N -1 3 402.520 2.094 20 0 HEADHM Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC001169574143 1079335184 /nfs/dbraw/zinc/33/51/84/1079335184.db2.gz SDAFZBFQYGLTFH-UHFFFAOYSA-N -1 3 414.491 2.181 20 0 HEADHM Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC001169574143 1079335192 /nfs/dbraw/zinc/33/51/92/1079335192.db2.gz SDAFZBFQYGLTFH-UHFFFAOYSA-N -1 3 414.491 2.181 20 0 HEADHM CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)cn1 ZINC001169611046 1079351610 /nfs/dbraw/zinc/35/16/10/1079351610.db2.gz HQABYGIUMSUYCE-UHFFFAOYSA-N -1 3 418.255 2.402 20 0 HEADHM CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)cn1 ZINC001169611046 1079351618 /nfs/dbraw/zinc/35/16/18/1079351618.db2.gz HQABYGIUMSUYCE-UHFFFAOYSA-N -1 3 418.255 2.402 20 0 HEADHM O=C(Nc1ccc(Br)cc1-c1nnn[n-]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC001169612535 1079351828 /nfs/dbraw/zinc/35/18/28/1079351828.db2.gz XHMVZTICDLZNCO-CQSZACIVSA-N -1 3 414.219 2.349 20 0 HEADHM O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)[C@H]1Cc2ccccc2C(=O)O1 ZINC001169612535 1079351831 /nfs/dbraw/zinc/35/18/31/1079351831.db2.gz XHMVZTICDLZNCO-CQSZACIVSA-N -1 3 414.219 2.349 20 0 HEADHM CCOC(=O)N1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000771577338 1079378000 /nfs/dbraw/zinc/37/80/00/1079378000.db2.gz YCCOXLKZWHBXPU-LLVKDONJSA-N -1 3 408.252 2.251 20 0 HEADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OC1CCN(c2nncc3ccccc32)CC1 ZINC000771616846 1079399825 /nfs/dbraw/zinc/39/98/25/1079399825.db2.gz NMGPWZURWSUHEL-KRWDZBQOSA-N -1 3 420.535 2.106 20 0 HEADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCNc1ccc(-c2ccccc2)nn1 ZINC000771627646 1079412487 /nfs/dbraw/zinc/41/24/87/1079412487.db2.gz DUZKUXXYMADSRT-QGZVFWFLSA-N -1 3 406.508 2.063 20 0 HEADHM CC(C)(C)OC(=O)N1CCC(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)CC1 ZINC000771590931 1079417627 /nfs/dbraw/zinc/41/76/27/1079417627.db2.gz GLSUZUVTQBAHKH-AWEZNQCLSA-N -1 3 406.545 2.141 20 0 HEADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 ZINC000771665990 1079434907 /nfs/dbraw/zinc/43/49/07/1079434907.db2.gz AZJRKGGVVNTICT-XOBRGWDASA-N -1 3 410.449 2.450 20 0 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Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c(Br)n1 ZINC000771133491 1079185633 /nfs/dbraw/zinc/18/56/33/1079185633.db2.gz NDUPQALSZGNOPT-UHFFFAOYSA-N -1 3 410.249 2.179 20 0 HEADHM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)no1 ZINC000771172942 1079207894 /nfs/dbraw/zinc/20/78/94/1079207894.db2.gz YWPJUKDPUQCCDT-OAHLLOKOSA-N -1 3 403.457 2.019 20 0 HEADHM Cc1ccsc1[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000771230852 1079218493 /nfs/dbraw/zinc/21/84/93/1079218493.db2.gz QELBVCRSLAIIOX-CQSZACIVSA-N -1 3 400.497 2.346 20 0 HEADHM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCCCC[C@H]3C)nc(=O)c12 ZINC001169461081 1079306623 /nfs/dbraw/zinc/30/66/23/1079306623.db2.gz BZOWWTRCAXKWPV-LLVKDONJSA-N -1 3 407.492 2.251 20 0 HEADHM C[C@@H](CC(=O)NCC1(CCO)CCCCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000771579104 1079379250 /nfs/dbraw/zinc/37/92/50/1079379250.db2.gz LZFIUJMYYBUIIS-AWEZNQCLSA-N -1 3 417.959 2.241 20 0 HEADHM C/C=C/C[C@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000771623328 1079405165 /nfs/dbraw/zinc/40/51/65/1079405165.db2.gz ZRCFGCNHMSIRDF-KXMPLOMGSA-N -1 3 407.319 2.491 20 0 HEADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000771618194 1079399980 /nfs/dbraw/zinc/39/99/80/1079399980.db2.gz IYIPTBLLYNVSBL-DOTOQJQBSA-N -1 3 410.536 2.046 20 0 HEADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc(C)n[nH]2)c(Br)cc1Cl ZINC000738385086 1075992806 /nfs/dbraw/zinc/99/28/06/1075992806.db2.gz PDEOYFIFPWVCDC-UHFFFAOYSA-N -1 3 422.688 2.399 20 0 HEADHM COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)cc1 ZINC000738391814 1075993737 /nfs/dbraw/zinc/99/37/37/1075993737.db2.gz AWWNQYGPFLWYAH-UHFFFAOYSA-N -1 3 410.423 2.312 20 0 HEADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)CC)cc1 ZINC000738364094 1075998095 /nfs/dbraw/zinc/99/80/95/1075998095.db2.gz LPTXRDHLKXMWTH-BBRMVZONSA-N -1 3 420.553 2.094 20 0 HEADHM Cc1ccc([C@@](O)(CC(=O)OCC(=O)[N-]C(=O)c2cccs2)C(F)(F)F)o1 ZINC000740752566 1076234615 /nfs/dbraw/zinc/23/46/15/1076234615.db2.gz 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ZINC000743342333 1077026807 /nfs/dbraw/zinc/02/68/07/1077026807.db2.gz IGKSEIKUSPPWBL-UHFFFAOYSA-N -1 3 405.245 2.192 20 0 HEADHM C[C@@](O)(CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccco1 ZINC000743654500 1077087912 /nfs/dbraw/zinc/08/79/12/1077087912.db2.gz OPWZPVJRERQTCV-MRXNPFEDSA-N -1 3 421.302 2.279 20 0 HEADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)CC2(C)OCCO2)ccc1F ZINC000744588991 1077478625 /nfs/dbraw/zinc/47/86/25/1077478625.db2.gz COLAWLBCUMJWEG-CYBMUJFWSA-N -1 3 402.488 2.031 20 0 HEADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)CC2(C)OCCO2)ccc1F ZINC000744588992 1077478679 /nfs/dbraw/zinc/47/86/79/1077478679.db2.gz COLAWLBCUMJWEG-ZDUSSCGKSA-N -1 3 402.488 2.031 20 0 HEADHM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000771950556 1079598592 /nfs/dbraw/zinc/59/85/92/1079598592.db2.gz DONCNXCGBZAZQV-UHFFFAOYSA-N -1 3 409.277 2.486 20 0 HEADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc3sc(C)c(C)c3c(N)n2)ccc1F ZINC000771996297 1079640008 /nfs/dbraw/zinc/64/00/08/1079640008.db2.gz 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COC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1OC ZINC000769857078 1078580580 /nfs/dbraw/zinc/58/05/80/1078580580.db2.gz AORZBAXAFBNPLA-UHFFFAOYSA-N -1 3 401.238 2.440 20 0 HEADHM CC[C@]1(C)NC(=O)N(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1=O ZINC000769831920 1078594792 /nfs/dbraw/zinc/59/47/92/1078594792.db2.gz YMXBQVLOXUNDDY-VGSWGCGISA-N -1 3 424.457 2.005 20 0 HEADHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c1 ZINC000769845884 1078605507 /nfs/dbraw/zinc/60/55/07/1078605507.db2.gz DUJXRFZXCUNDEM-UHFFFAOYSA-N -1 3 421.494 2.473 20 0 HEADHM CCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)N1CCc2sccc2C1 ZINC000769900149 1078623330 /nfs/dbraw/zinc/62/33/30/1078623330.db2.gz ADSDRFLDMXBZDY-GFCCVEGCSA-N -1 3 416.956 2.167 20 0 HEADHM COc1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1F ZINC000769891657 1078645832 /nfs/dbraw/zinc/64/58/32/1078645832.db2.gz STHOKDNWOIWMNT-UHFFFAOYSA-N -1 3 400.453 2.076 20 0 HEADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 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1078732425 /nfs/dbraw/zinc/73/24/25/1078732425.db2.gz CRTSXKSEBPDDGU-KCQAQPDRSA-N -1 3 416.565 2.307 20 0 HEADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1nn(-c2ccccc2)c2c1CCC2 ZINC000770110266 1078732874 /nfs/dbraw/zinc/73/28/74/1078732874.db2.gz JDMCXBJEVXFIDR-SFHVURJKSA-N -1 3 405.520 2.368 20 0 HEADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)c1ccccc1Br ZINC000770112871 1078733950 /nfs/dbraw/zinc/73/39/50/1078733950.db2.gz HWPNDHXPNZZIGJ-ZDUSSCGKSA-N -1 3 406.298 2.139 20 0 HEADHM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770114759 1078734905 /nfs/dbraw/zinc/73/49/05/1078734905.db2.gz YYUHRSXRIAQCFD-UGSOOPFHSA-N -1 3 424.519 2.459 20 0 HEADHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000770113974 1078735385 /nfs/dbraw/zinc/73/53/85/1078735385.db2.gz WCTBZERNVGJLKO-SFHVURJKSA-N -1 3 407.488 2.289 20 0 HEADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000770113972 1078735487 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HEADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C)cc3)C2=O)c1 ZINC000742321624 1076823578 /nfs/dbraw/zinc/82/35/78/1076823578.db2.gz PVTGJLIOOWAIGS-KRWDZBQOSA-N -1 3 420.462 2.395 20 0 HEADHM O=C(CCOc1ccccc1)[N-]OCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000742358665 1076830378 /nfs/dbraw/zinc/83/03/78/1076830378.db2.gz HGFUDGROOHKUKE-IBGZPJMESA-N -1 3 402.422 2.243 20 0 HEADHM COc1ccc(CC(=O)[N-]OCC(=O)N[C@H](C)Cc2c(F)cccc2F)cc1OC ZINC000742358530 1076830389 /nfs/dbraw/zinc/83/03/89/1076830389.db2.gz MUWBBSHRNDGFAJ-CYBMUJFWSA-N -1 3 422.428 2.320 20 0 HEADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)cc1C ZINC000743046947 1076936276 /nfs/dbraw/zinc/93/62/76/1076936276.db2.gz CFVILRUCOOZJRZ-UHFFFAOYSA-N -1 3 403.504 2.334 20 0 HEADHM O=C1OCc2ccc(S(=O)(=O)[N-]c3cc(-n4nnnc4C4CC4)ccc3F)cc21 ZINC000743262064 1077016774 /nfs/dbraw/zinc/01/67/74/1077016774.db2.gz ZYNOODFBQDOKEO-UHFFFAOYSA-N -1 3 415.406 2.150 20 0 HEADHM COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000743418492 1077050362 /nfs/dbraw/zinc/05/03/62/1077050362.db2.gz SOOGRHDSNVMPDE-UHFFFAOYSA-N -1 3 418.413 2.249 20 0 HEADHM C[C@@](O)(CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C1CC1 ZINC000743715459 1077095069 /nfs/dbraw/zinc/09/50/69/1077095069.db2.gz NKMQPMVGACPTRD-MRXNPFEDSA-N -1 3 407.319 2.325 20 0 HEADHM CCN1CCN(C(=O)c2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2)CC1 ZINC000743731029 1077098424 /nfs/dbraw/zinc/09/84/24/1077098424.db2.gz URFCOKIVEMESJA-HMMYKYKNSA-N -1 3 404.470 2.187 20 0 HEADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCCNC(=O)c2ccccc2)cc1 ZINC000744290926 1077356631 /nfs/dbraw/zinc/35/66/31/1077356631.db2.gz MNSNLYUIJNQJFM-UHFFFAOYSA-N -1 3 420.487 2.189 20 0 HEADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1ncc(-c2ccccc2C)o1 ZINC000744520278 1077436286 /nfs/dbraw/zinc/43/62/86/1077436286.db2.gz GWVKQTMOLFMTEF-UHFFFAOYSA-N -1 3 405.432 2.277 20 0 HEADHM CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744723436 1077556147 /nfs/dbraw/zinc/55/61/47/1077556147.db2.gz GRUGRXSQBPVGHT-GDBMZVCRSA-N -1 3 414.462 2.345 20 0 HEADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1F ZINC000744728623 1077558952 /nfs/dbraw/zinc/55/89/52/1077558952.db2.gz DYUBLVGFLPCTTD-YGRLFVJLSA-N -1 3 412.405 2.304 20 0 HEADHM Cc1nc(C)c(CC(=O)O[C@H](C(N)=O)c2ccc(Br)cc2F)c(=O)[n-]1 ZINC000744736583 1077572494 /nfs/dbraw/zinc/57/24/94/1077572494.db2.gz PJGNBAQLXPZXMM-AWEZNQCLSA-N -1 3 412.215 2.013 20 0 HEADHM COC(=O)c1csc(S(=O)(=O)[N-]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000749254797 1077712184 /nfs/dbraw/zinc/71/21/84/1077712184.db2.gz LKUILLXYGWVSNP-UHFFFAOYSA-N -1 3 404.510 2.213 20 0 HEADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc2ncccc21)c1nc(-c2nc[nH]n2)no1 ZINC000771783205 1079504261 /nfs/dbraw/zinc/50/42/61/1079504261.db2.gz KNJIEVSWYOMYNG-CQSZACIVSA-N -1 3 413.463 2.469 20 0 HEADHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000771790539 1079508106 /nfs/dbraw/zinc/50/81/06/1079508106.db2.gz IHLJJQIHWDSQEQ-KRWDZBQOSA-N -1 3 411.506 2.149 20 0 HEADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCOC[C@@H]2OCc2ccccc2)c(C)o1 ZINC000767010042 1079586819 /nfs/dbraw/zinc/58/68/19/1079586819.db2.gz SEVYCBTXCISKMR-IRXDYDNUSA-N -1 3 409.460 2.027 20 0 HEADHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000771912970 1079587397 /nfs/dbraw/zinc/58/73/97/1079587397.db2.gz IFWYTCHXZHALDX-YPMHNXCESA-N -1 3 402.451 2.480 20 0 HEADHM COC(=O)c1ccccc1CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000771996430 1079639961 /nfs/dbraw/zinc/63/99/61/1079639961.db2.gz UYWBKRPWHLCQGW-UHFFFAOYSA-N -1 3 421.446 2.453 20 0 HEADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccccc2C(=O)OC)cc1F ZINC000767073377 1079646012 /nfs/dbraw/zinc/64/60/12/1079646012.db2.gz VDERDQTYNZQFRH-UHFFFAOYSA-N -1 3 417.436 2.142 20 0 HEADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(NC(C)=O)cc2)cc1F ZINC000767076842 1079648108 /nfs/dbraw/zinc/64/81/08/1079648108.db2.gz OXPMASBCPWIVRJ-UHFFFAOYSA-N -1 3 416.452 2.313 20 0 HEADHM Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1S(=O)(=O)NC(C)(C)C ZINC000772061391 1079680668 /nfs/dbraw/zinc/68/06/68/1079680668.db2.gz XESFWGRLKVNROB-NSHDSACASA-N -1 3 407.414 2.449 20 0 HEADHM C[C@H](CO[N-]C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000767176037 1079710651 /nfs/dbraw/zinc/71/06/51/1079710651.db2.gz DZOGBFAKPRIDCF-HUUCEWRRSA-N -1 3 412.531 2.312 20 0 HEADHM C[C@@H](CO[N-]C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)NC(=O)OC(C)(C)C ZINC000767178999 1079712802 /nfs/dbraw/zinc/71/28/02/1079712802.db2.gz PIACQQVPFFCRFY-WMZOPIPTSA-N -1 3 407.511 2.239 20 0 HEADHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ncon1 ZINC000767159324 1079720745 /nfs/dbraw/zinc/72/07/45/1079720745.db2.gz HGGTUNSUVUTCTP-ZETCQYMHSA-N -1 3 405.263 2.308 20 0 HEADHM O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000772240219 1079782381 /nfs/dbraw/zinc/78/23/81/1079782381.db2.gz AKLBCVHKOWGFNN-AWEZNQCLSA-N -1 3 417.462 2.122 20 0 HEADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000772244302 1079784169 /nfs/dbraw/zinc/78/41/69/1079784169.db2.gz IYCKTBQZNRXHCD-UHFFFAOYSA-N -1 3 424.475 2.268 20 0 HEADHM O=C(/C=C/c1cccnc1)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000804353512 1079849819 /nfs/dbraw/zinc/84/98/19/1079849819.db2.gz ZTMRRIZPPKBJRR-VOTSOKGWSA-N -1 3 400.287 2.496 20 0 HEADHM O=C(NC[C@@H](O)c1cccnc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000772527679 1079914977 /nfs/dbraw/zinc/91/49/77/1079914977.db2.gz WGDFRGSCFHOIND-LJQANCHMSA-N -1 3 415.446 2.485 20 0 HEADHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]S(=O)(=O)Cc2c(F)cccc2F)C1=O ZINC000767532194 1079924180 /nfs/dbraw/zinc/92/41/80/1079924180.db2.gz DNWVWJRYQZGFSM-IBGZPJMESA-N -1 3 423.441 2.243 20 0 HEADHM C[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)C1=O ZINC000767540984 1079944722 /nfs/dbraw/zinc/94/47/22/1079944722.db2.gz OKJZGNVKCHBCQT-QGZVFWFLSA-N -1 3 411.842 2.281 20 0 HEADHM Cn1cc(S(=O)(=O)[N-][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)nc1Cl ZINC000767601567 1080000008 /nfs/dbraw/zinc/00/00/08/1080000008.db2.gz BQPRPGQVSWKYOF-GFCCVEGCSA-N -1 3 406.936 2.435 20 0 HEADHM COCCOC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@@H]3[C@@H](C)O)nc(=O)c2c1C ZINC000785547130 1080052463 /nfs/dbraw/zinc/05/24/63/1080052463.db2.gz SKVAMOABKWIFAJ-IACUBPJLSA-N -1 3 423.535 2.078 20 0 HEADHM COCCOC(=O)c1sc2[n-]c(CN3CC[C@H](C)C[C@H]3[C@H](C)O)nc(=O)c2c1C ZINC000785547131 1080052727 /nfs/dbraw/zinc/05/27/27/1080052727.db2.gz SKVAMOABKWIFAJ-UBHSHLNASA-N -1 3 423.535 2.078 20 0 HEADHM Cc1c(=O)n(C)c2ccccc2c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001129379473 1080221619 /nfs/dbraw/zinc/22/16/19/1080221619.db2.gz NBIWPEVZJKPMCH-ZDUSSCGKSA-N -1 3 409.408 2.378 20 0 HEADHM COC(=O)[C@]1(F)CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)C1 ZINC000767991519 1080261797 /nfs/dbraw/zinc/26/17/97/1080261797.db2.gz IXXRMLJCDZNIPL-INIZCTEOSA-N -1 3 402.300 2.154 20 0 HEADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CCC(N)=O)CC2)ccc1F ZINC000768053102 1080296050 /nfs/dbraw/zinc/29/60/50/1080296050.db2.gz DKHIYYMNVVSHOS-UHFFFAOYSA-N -1 3 413.515 2.020 20 0 HEADHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)c3cc4occc4[n-]3)CC2)C1 ZINC000786030648 1080379741 /nfs/dbraw/zinc/37/97/41/1080379741.db2.gz UWOPPOQKSYPAAX-AWEZNQCLSA-N -1 3 401.463 2.415 20 0 HEADHM O=C(COC(=O)c1cc2occc2[n-]1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000786033727 1080380333 /nfs/dbraw/zinc/38/03/33/1080380333.db2.gz SYTADXVJKZWRSV-CQSZACIVSA-N -1 3 408.476 2.266 20 0 HEADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000786131290 1080452225 /nfs/dbraw/zinc/45/22/25/1080452225.db2.gz OPDQTTGARZFZCZ-JTQLQIEISA-N -1 3 420.468 2.438 20 0 HEADHM CC(=O)N1CCN(C(=O)[C@@H](OC(=O)c2cc3sccc3c([O-])c2)C(C)C)CC1 ZINC000786132767 1080453010 /nfs/dbraw/zinc/45/30/10/1080453010.db2.gz XLORLNKEZNADGF-SFHVURJKSA-N -1 3 404.488 2.479 20 0 HEADHM Cn1ccnc1[C@@](O)(CC(=O)NCc1ccc([O-])c(Br)c1)C(F)(F)F ZINC000768290979 1080461379 /nfs/dbraw/zinc/46/13/79/1080461379.db2.gz BSPYEHWMCWWYSS-AWEZNQCLSA-N -1 3 422.201 2.345 20 0 HEADHM C[C@H](NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1nnnn1C1CC1 ZINC000768281705 1080482964 /nfs/dbraw/zinc/48/29/64/1080482964.db2.gz RBKRSNQUFWEDDN-QMMMGPOBSA-N -1 3 408.340 2.239 20 0 HEADHM C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)c1nnnn1C1CC1 ZINC000768282556 1080483211 /nfs/dbraw/zinc/48/32/11/1080483211.db2.gz WDAIXHIUKJIPRS-QMMMGPOBSA-N -1 3 403.240 2.103 20 0 HEADHM O=C(NCCNC(=O)c1ccc(-n2cnc3ccccc32)nc1)c1ccc([O-])cc1 ZINC000768336833 1080494801 /nfs/dbraw/zinc/49/48/01/1080494801.db2.gz YQAUXXPMYWFCRW-UHFFFAOYSA-N -1 3 401.426 2.286 20 0 HEADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)c2ccccc2)cc1[O-] ZINC000786300779 1080543991 /nfs/dbraw/zinc/54/39/91/1080543991.db2.gz WAPGKMSHSNPIAP-LBPRGKRZSA-N -1 3 400.387 2.115 20 0 HEADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OC[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC000786303733 1080545714 /nfs/dbraw/zinc/54/57/14/1080545714.db2.gz KWOOOSRPJHCNQQ-WFASDCNBSA-N -1 3 400.497 2.241 20 0 HEADHM 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