smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000012801391 1069012562 /nfs/dbraw/zinc/01/25/62/1069012562.db2.gz WEZDNIWEDWLHDL-UHFFFAOYSA-N 0 2 422.467 -0.395 20 0 HBADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000014371343 1069402766 /nfs/dbraw/zinc/40/27/66/1069402766.db2.gz VOFFCIXCSCWWJZ-UHFFFAOYSA-N 0 2 415.435 -0.610 20 0 HBADLN O=C(CNC(=O)COc1ccccc1)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000024291995 1069281595 /nfs/dbraw/zinc/28/15/95/1069281595.db2.gz QUWYYRJFIHSKRS-UHFFFAOYSA-N 0 2 419.463 -0.064 20 0 HBADLN NC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O)c1ccc(F)cc1 ZINC000028902518 1070529843 /nfs/dbraw/zinc/52/98/43/1070529843.db2.gz BRMRPOPGATZVIM-HNNXBMFYSA-N 0 2 423.382 -0.144 20 0 HBADLN NC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O)c1ccc(F)cc1 ZINC000028902524 1070529794 /nfs/dbraw/zinc/52/97/94/1070529794.db2.gz BRMRPOPGATZVIM-OAHLLOKOSA-N 0 2 423.382 -0.144 20 0 HBADLN CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000030576051 1071554568 /nfs/dbraw/zinc/55/45/68/1071554568.db2.gz ASQOHXCTNJVANO-LLVKDONJSA-N 0 2 403.486 -0.835 20 0 HBADLN CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000030576056 1071554593 /nfs/dbraw/zinc/55/45/93/1071554593.db2.gz ASQOHXCTNJVANO-NSHDSACASA-N 0 2 403.486 -0.835 20 0 HBADLN NC(=O)COc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 ZINC000030576082 1071554485 /nfs/dbraw/zinc/55/44/85/1071554485.db2.gz LOZCAQMCTHOGBA-UHFFFAOYSA-N 0 2 405.436 -0.081 20 0 HBADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000032631802 1069056695 /nfs/dbraw/zinc/05/66/95/1069056695.db2.gz QJYYIKAZONOBCW-UHFFFAOYSA-N 0 2 413.481 -0.052 20 0 HBADLN Cn1cc(/C=C/C(O)=N/S(=O)(=O)c2cccc(-n3cnnn3)c2)c(=O)n(C)c1=O ZINC000042278144 1070240138 /nfs/dbraw/zinc/24/01/38/1070240138.db2.gz MNTUNVZUHMKLOK-VOTSOKGWSA-N 0 2 417.407 -0.582 20 0 HBADLN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000044921767 1070721534 /nfs/dbraw/zinc/72/15/34/1070721534.db2.gz NJSJMYOUKXVABJ-UHFFFAOYSA-N 0 2 419.419 -0.134 20 0 HBADLN CN(CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)c1ncnc2nc[nH]c21 ZINC000045979410 1070880507 /nfs/dbraw/zinc/88/05/07/1070880507.db2.gz TXGSIEOECHXOHH-UHFFFAOYSA-N 0 2 417.455 -0.457 20 0 HBADLN COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccccn3)cc2S1(=O)=O ZINC000048369572 1068387057 /nfs/dbraw/zinc/38/70/57/1068387057.db2.gz QRMIJYLCGDBCEZ-UHFFFAOYSA-N 0 2 404.404 -0.053 20 0 HBADLN C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000050031745 1068382747 /nfs/dbraw/zinc/38/27/47/1068382747.db2.gz NGTWWAZAEPFHQD-UHFFFAOYSA-N 0 2 419.551 -0.005 20 0 HBADLN Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccn3)CC2)cn1C ZINC000050535453 1068437190 /nfs/dbraw/zinc/43/71/90/1068437190.db2.gz SLZQYELBDRUDNO-UHFFFAOYSA-N 0 2 406.468 -0.015 20 0 HBADLN NC(=O)Cn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 ZINC000055597403 1069148267 /nfs/dbraw/zinc/14/82/67/1069148267.db2.gz MHJDYAODIGCXPP-UHFFFAOYSA-N 0 2 413.481 -0.046 20 0 HBADLN CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 ZINC000055640620 1069148122 /nfs/dbraw/zinc/14/81/22/1069148122.db2.gz KLFCLPUULNBVNK-UHFFFAOYSA-N 0 2 413.481 -0.129 20 0 HBADLN CNC(=O)Cn1cc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cn1 ZINC000055641046 1069147914 /nfs/dbraw/zinc/14/79/14/1069147914.db2.gz KHRMYXJBXVJDGM-UHFFFAOYSA-N 0 2 413.481 -0.129 20 0 HBADLN CNC(=O)Cn1cc(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 ZINC000055641057 1071739406 /nfs/dbraw/zinc/73/94/06/1071739406.db2.gz BVZDHDCRVVQXQN-UHFFFAOYSA-N 0 2 401.470 -0.320 20 0 HBADLN O=C(CNC(=O)NCc1ccco1)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000056109794 1070750020 /nfs/dbraw/zinc/75/00/20/1070750020.db2.gz QOYYAGQGVKJOPC-UHFFFAOYSA-N 0 2 408.440 -0.167 20 0 HBADLN Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1 ZINC000056293138 1070762082 /nfs/dbraw/zinc/76/20/82/1070762082.db2.gz HHGXMLKZSIXHMK-UHFFFAOYSA-N 0 2 404.408 -0.185 20 0 HBADLN COCCCn1c(=O)c2ccc(C(=O)NCCS(N)(=O)=O)cc2[nH]c1=S ZINC000056850704 1070787860 /nfs/dbraw/zinc/78/78/60/1070787860.db2.gz WGGPSIKEVGFAPO-UHFFFAOYSA-N 0 2 400.482 -0.260 20 0 HBADLN CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 ZINC000064476516 1069103237 /nfs/dbraw/zinc/10/32/37/1069103237.db2.gz IZMONGUQOKVQLE-UHFFFAOYSA-N 0 2 413.481 -0.129 20 0 HBADLN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)CC1 ZINC000066044841 1069278530 /nfs/dbraw/zinc/27/85/30/1069278530.db2.gz HFAMDPSKEZXKGP-UHFFFAOYSA-N 0 2 404.439 -0.080 20 0 HBADLN Cn1cc(S(=O)(=O)Nc2ccc(I)cn2)c(=O)n(C)c1=O ZINC000115630965 1071127411 /nfs/dbraw/zinc/12/74/11/1071127411.db2.gz GNSBQRCPHPOTSW-UHFFFAOYSA-N 0 2 422.204 -0.116 20 0 HBADLN CN(C)C(=O)Cn1cnc(=NC(=O)C(=O)N=c2cc(CC3CCCCC3)[nH][nH]2)[nH]1 ZINC000426243011 1070211942 /nfs/dbraw/zinc/21/19/42/1070211942.db2.gz BOZCEJBUKIZNKF-UHFFFAOYSA-N 0 2 402.459 -0.367 20 0 HBADLN CCCc1cc(=NC(=O)C(=O)N=c2ncn(CC(=O)N3CCCCCC3)[nH]2)[nH][nH]1 ZINC000426589518 1070345723 /nfs/dbraw/zinc/34/57/23/1070345723.db2.gz YBQWZYRIZCBMCT-UHFFFAOYSA-N 0 2 402.459 -0.223 20 0 HBADLN CN(C)C(=O)Cn1cnc(=NC(=O)C(=O)N=c2cc(C3CCCCCC3)[nH][nH]2)[nH]1 ZINC000426600849 1070349022 /nfs/dbraw/zinc/34/90/22/1070349022.db2.gz MVQQVJZTHSXKKI-UHFFFAOYSA-N 0 2 402.459 -0.052 20 0 HBADLN CC[C@H](CO)[NH+]1CCN(c2nc(OC)nc(N3CC[NH+]([C@@H](CC)CO)CC3)n2)CC1 ZINC000426892044 1070437886 /nfs/dbraw/zinc/43/78/86/1070437886.db2.gz UBXLZUHLIXLRRS-CALCHBBNSA-N 0 2 423.562 -0.334 20 0 HBADLN COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cnn(C)c2C)c1 ZINC000427115097 1070466234 /nfs/dbraw/zinc/46/62/34/1070466234.db2.gz TZGZUWILHNQPLE-UHFFFAOYSA-N 0 2 402.454 -0.019 20 0 HBADLN Cc1c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cnn1C ZINC000427119570 1070467683 /nfs/dbraw/zinc/46/76/83/1070467683.db2.gz KKMDXRIKMDAVBU-UHFFFAOYSA-N 0 2 413.481 -0.350 20 0 HBADLN COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cnn(C)c2C)cc1 ZINC000427136087 1070470030 /nfs/dbraw/zinc/47/00/30/1070470030.db2.gz LZQQQLHMUVETLK-UHFFFAOYSA-N 0 2 402.454 -0.019 20 0 HBADLN Cc1nc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1C ZINC000427629301 1070710318 /nfs/dbraw/zinc/71/03/18/1070710318.db2.gz IGOHRQKDMHZCBR-UHFFFAOYSA-N 0 2 401.470 -0.055 20 0 HBADLN COC(=O)c1cc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cnc1C ZINC000427764982 1070737768 /nfs/dbraw/zinc/73/77/68/1070737768.db2.gz LTTLYAIZOBCMER-UHFFFAOYSA-N 0 2 419.419 -0.077 20 0 HBADLN COC(=O)[C@@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)c1ccn(C)n1 ZINC000429885456 1069427872 /nfs/dbraw/zinc/42/78/72/1069427872.db2.gz LYZGKSAGTZQJHX-HNNXBMFYSA-N 0 2 410.408 -0.048 20 0 HBADLN COC(=O)[C@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)c1ccn(C)n1 ZINC000429885459 1069427930 /nfs/dbraw/zinc/42/79/30/1069427930.db2.gz LYZGKSAGTZQJHX-OAHLLOKOSA-N 0 2 410.408 -0.048 20 0 HBADLN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000430650871 1068515235 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ZINC000436929526 1070017737 /nfs/dbraw/zinc/01/77/37/1070017737.db2.gz VQXLSTFXLJUSAA-UHFFFAOYSA-N 0 2 407.452 0.501 20 0 HBADLN COc1cccc(-c2nc(=NC(=O)C(=O)N(C)CC(=O)N3CCOCC3)s[nH]2)c1 ZINC000437144911 1070034409 /nfs/dbraw/zinc/03/44/09/1070034409.db2.gz KWLWGFNNXQMHNO-UHFFFAOYSA-N 0 2 419.463 -0.109 20 0 HBADLN CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000437209627 1070038441 /nfs/dbraw/zinc/03/84/41/1070038441.db2.gz PDYOMUKPLHRWOB-UHFFFAOYSA-N 0 2 410.456 -0.733 20 0 HBADLN CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000437223659 1070040423 /nfs/dbraw/zinc/04/04/23/1070040423.db2.gz VDBCSXFQVQTHOH-UHFFFAOYSA-N 0 2 424.483 -0.295 20 0 HBADLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)n1 ZINC000437303077 1070046145 /nfs/dbraw/zinc/04/61/45/1070046145.db2.gz ATAJUXZTWWHGOH-UHFFFAOYSA-N 0 2 412.380 -0.175 20 0 HBADLN COC(=O)Cn1cnc(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 ZINC000437303222 1070045346 /nfs/dbraw/zinc/04/53/46/1070045346.db2.gz IJPQRXDGIWXOJJ-UHFFFAOYSA-N 0 2 403.442 -0.498 20 0 HBADLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC000437305313 1070046096 /nfs/dbraw/zinc/04/60/96/1070046096.db2.gz NZUKEYCOOKKVGM-UHFFFAOYSA-N 0 2 414.469 -0.734 20 0 HBADLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)n1 ZINC000437306083 1070045989 /nfs/dbraw/zinc/04/59/89/1070045989.db2.gz LMPJTLIRKLPGHO-UHFFFAOYSA-N 0 2 418.409 -0.113 20 0 HBADLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)n1 ZINC000437311049 1070048298 /nfs/dbraw/zinc/04/82/98/1070048298.db2.gz UJIQYZHONIAURL-UHFFFAOYSA-N 0 2 412.380 -0.175 20 0 HBADLN CNC(=O)Cn1cnc(NS(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)n1 ZINC000437313075 1070048111 /nfs/dbraw/zinc/04/81/11/1070048111.db2.gz ZQKPCFBVHUHUTF-UHFFFAOYSA-N 0 2 401.470 -0.155 20 0 HBADLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n1 ZINC000437313781 1070046919 /nfs/dbraw/zinc/04/69/19/1070046919.db2.gz KCNFMEJYEXFSCB-UHFFFAOYSA-N 0 2 415.453 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/nfs/dbraw/zinc/32/43/74/1068324374.db2.gz BVJFGPBFQNUYDT-ZDUSSCGKSA-N 0 2 402.454 -0.697 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000547878773 1068324363 /nfs/dbraw/zinc/32/43/63/1068324363.db2.gz BVJFGPBFQNUYDT-ZDUSSCGKSA-N 0 2 402.454 -0.697 20 0 HBADLN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC000547880589 1068324083 /nfs/dbraw/zinc/32/40/83/1068324083.db2.gz RVHWLQGTKGATCC-CYBMUJFWSA-N 0 2 402.454 -0.366 20 0 HBADLN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC000547880589 1068324066 /nfs/dbraw/zinc/32/40/66/1068324066.db2.gz RVHWLQGTKGATCC-CYBMUJFWSA-N 0 2 402.454 -0.366 20 0 HBADLN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC000547880590 1068323989 /nfs/dbraw/zinc/32/39/89/1068323989.db2.gz RVHWLQGTKGATCC-ZDUSSCGKSA-N 0 2 402.454 -0.366 20 0 HBADLN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC000547880590 1068323971 /nfs/dbraw/zinc/32/39/71/1068323971.db2.gz RVHWLQGTKGATCC-ZDUSSCGKSA-N 0 2 402.454 -0.366 20 0 HBADLN CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1F ZINC000548200352 1068516939 /nfs/dbraw/zinc/51/69/39/1068516939.db2.gz DPQWUAZQFBVIJY-GFCCVEGCSA-N 0 2 406.417 -0.106 20 0 HBADLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000548201908 1068517210 /nfs/dbraw/zinc/51/72/10/1068517210.db2.gz YRZBSAVVZAASIQ-CQSZACIVSA-N 0 2 414.465 -0.175 20 0 HBADLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000548201908 1068517200 /nfs/dbraw/zinc/51/72/00/1068517200.db2.gz YRZBSAVVZAASIQ-CQSZACIVSA-N 0 2 414.465 -0.175 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548203731 1068518121 /nfs/dbraw/zinc/51/81/21/1068518121.db2.gz VZGAAFZMMZNYGX-AWEZNQCLSA-N 0 2 414.465 -0.175 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548203731 1068518113 /nfs/dbraw/zinc/51/81/13/1068518113.db2.gz VZGAAFZMMZNYGX-AWEZNQCLSA-N 0 2 414.465 -0.175 20 0 HBADLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548203733 1068518177 /nfs/dbraw/zinc/51/81/77/1068518177.db2.gz VZGAAFZMMZNYGX-CQSZACIVSA-N 0 2 414.465 -0.175 20 0 HBADLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000548203733 1068518169 /nfs/dbraw/zinc/51/81/69/1068518169.db2.gz VZGAAFZMMZNYGX-CQSZACIVSA-N 0 2 414.465 -0.175 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000548204438 1068518684 /nfs/dbraw/zinc/51/86/84/1068518684.db2.gz YRZBSAVVZAASIQ-AWEZNQCLSA-N 0 2 414.465 -0.175 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000548204438 1068518672 /nfs/dbraw/zinc/51/86/72/1068518672.db2.gz YRZBSAVVZAASIQ-AWEZNQCLSA-N 0 2 414.465 -0.175 20 0 HBADLN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC000548205289 1068518311 /nfs/dbraw/zinc/51/83/11/1068518311.db2.gz QPLYUWCVNWQDJM-GFCCVEGCSA-N 0 2 411.392 -0.043 20 0 HBADLN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC000548205289 1068518303 /nfs/dbraw/zinc/51/83/03/1068518303.db2.gz QPLYUWCVNWQDJM-GFCCVEGCSA-N 0 2 411.392 -0.043 20 0 HBADLN CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1F ZINC000548525729 1068614843 /nfs/dbraw/zinc/61/48/43/1068614843.db2.gz DPQWUAZQFBVIJY-LBPRGKRZSA-N 0 2 406.417 -0.106 20 0 HBADLN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC000548527184 1068614803 /nfs/dbraw/zinc/61/48/03/1068614803.db2.gz QPLYUWCVNWQDJM-LBPRGKRZSA-N 0 2 411.392 -0.043 20 0 HBADLN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC000548527184 1068614797 /nfs/dbraw/zinc/61/47/97/1068614797.db2.gz QPLYUWCVNWQDJM-LBPRGKRZSA-N 0 2 411.392 -0.043 20 0 HBADLN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000549447173 1069084900 /nfs/dbraw/zinc/08/49/00/1069084900.db2.gz YDHNYDVJZPLLSK-GFCCVEGCSA-N 0 2 407.518 -0.309 20 0 HBADLN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000549447174 1069084941 /nfs/dbraw/zinc/08/49/41/1069084941.db2.gz YDHNYDVJZPLLSK-LBPRGKRZSA-N 0 2 407.518 -0.309 20 0 HBADLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)[nH]1 ZINC000549848695 1069381584 /nfs/dbraw/zinc/38/15/84/1069381584.db2.gz SNDYTBPDVMELJG-GFCCVEGCSA-N 0 2 415.497 -0.002 20 0 HBADLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)CCNS(=O)(=O)c3ccccc3)C2)[nH]1 ZINC000549848696 1069381497 /nfs/dbraw/zinc/38/14/97/1069381497.db2.gz SNDYTBPDVMELJG-LBPRGKRZSA-N 0 2 415.497 -0.002 20 0 HBADLN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000549854870 1069383731 /nfs/dbraw/zinc/38/37/31/1069383731.db2.gz UWZWLROVOMHTOU-JTQLQIEISA-N 0 2 401.470 -0.013 20 0 HBADLN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000549854871 1069383575 /nfs/dbraw/zinc/38/35/75/1069383575.db2.gz UWZWLROVOMHTOU-SNVBAGLBSA-N 0 2 401.470 -0.013 20 0 HBADLN CC(C)Nc1nc(N2CCN(C(=O)c3cccc(O)c3)CC2)nc(NCCO)[nH+]1 ZINC000550390031 1070635604 /nfs/dbraw/zinc/63/56/04/1070635604.db2.gz CUCJBFPYVJESGF-UHFFFAOYSA-N 0 2 401.471 -0.392 20 0 HBADLN COC(=O)Cn1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2N)cn1 ZINC000551113706 1069506116 /nfs/dbraw/zinc/50/61/16/1069506116.db2.gz HOKILBBBRHAULA-UHFFFAOYSA-N 0 2 417.469 -0.311 20 0 HBADLN COC(=O)CNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000551928538 1069598121 /nfs/dbraw/zinc/59/81/21/1069598121.db2.gz DXGZZHOSYPGGQV-UHFFFAOYSA-N 0 2 412.449 -0.037 20 0 HBADLN COC(=O)CNC(=O)CNC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000552013849 1069617524 /nfs/dbraw/zinc/61/75/24/1069617524.db2.gz JBKGJLIHIKGLGT-UHFFFAOYSA-N 0 2 415.453 -0.699 20 0 HBADLN CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590624 1069822538 /nfs/dbraw/zinc/82/25/38/1069822538.db2.gz QBILFDYTPXUUSL-UHFFFAOYSA-N 0 2 416.526 -0.211 20 0 HBADLN O=C(C(=O)N1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1)N1CCOCC1 ZINC000553013365 1069900819 /nfs/dbraw/zinc/90/08/19/1069900819.db2.gz LLZPQFDMLAWRCK-UHFFFAOYSA-N 0 2 413.434 -0.279 20 0 HBADLN CN(C)S(=O)(=O)C[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(F)(F)F ZINC000553157643 1069922365 /nfs/dbraw/zinc/92/23/65/1069922365.db2.gz RUGFEJRHWYIHNI-MRVPVSSYSA-N 0 2 409.346 -0.012 20 0 HBADLN CN(C)S(=O)(=O)C[C@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(F)(F)F ZINC000553157644 1069922471 /nfs/dbraw/zinc/92/24/71/1069922471.db2.gz RUGFEJRHWYIHNI-QMMMGPOBSA-N 0 2 409.346 -0.012 20 0 HBADLN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000554676431 1070104717 /nfs/dbraw/zinc/10/47/17/1070104717.db2.gz GDLPCUSATAXDHY-KRWDZBQOSA-N 0 2 406.443 -0.168 20 0 HBADLN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000554676432 1070104767 /nfs/dbraw/zinc/10/47/67/1070104767.db2.gz GDLPCUSATAXDHY-QGZVFWFLSA-N 0 2 406.443 -0.168 20 0 HBADLN CNS(=O)(=O)c1ccc(O)c(NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1 ZINC000555129407 1070171849 /nfs/dbraw/zinc/17/18/49/1070171849.db2.gz LZZROGNAMHSFPK-UHFFFAOYSA-N 0 2 415.515 -0.677 20 0 HBADLN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000555431159 1070200483 /nfs/dbraw/zinc/20/04/83/1070200483.db2.gz OCGXOMAFHGHSIQ-UHFFFAOYSA-N 0 2 401.470 -0.013 20 0 HBADLN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CC1 ZINC000555431249 1070200517 /nfs/dbraw/zinc/20/05/17/1070200517.db2.gz WGDJVIRGQYCCLM-UHFFFAOYSA-N 0 2 407.518 -0.309 20 0 HBADLN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC(c4n[nH]c(=O)[nH]4)CC3)cnc21 ZINC000555431283 1070200372 /nfs/dbraw/zinc/20/03/72/1070200372.db2.gz XLRMEGREQXMPAF-UHFFFAOYSA-N 0 2 407.412 -0.574 20 0 HBADLN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000555431799 1070200583 /nfs/dbraw/zinc/20/05/83/1070200583.db2.gz CFVAYKQFDZQUAE-UHFFFAOYSA-N 0 2 401.470 -0.013 20 0 HBADLN COC(=O)c1cncc(S(=O)(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000555780609 1070238819 /nfs/dbraw/zinc/23/88/19/1070238819.db2.gz WKRRBBQSYONQPU-UHFFFAOYSA-N 0 2 405.392 -0.385 20 0 HBADLN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000556791081 1071996968 /nfs/dbraw/zinc/99/69/68/1071996968.db2.gz GGHXOLNAWIXQML-JTQLQIEISA-N 0 2 411.488 -0.066 20 0 HBADLN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000556791082 1071997123 /nfs/dbraw/zinc/99/71/23/1071997123.db2.gz GGHXOLNAWIXQML-SNVBAGLBSA-N 0 2 411.488 -0.066 20 0 HBADLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cn1 ZINC000556939799 1072017756 /nfs/dbraw/zinc/01/77/56/1072017756.db2.gz LMYCRFUPRWEZEI-CYBMUJFWSA-N 0 2 407.408 -0.393 20 0 HBADLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cn1 ZINC000556939800 1072017980 /nfs/dbraw/zinc/01/79/80/1072017980.db2.gz LMYCRFUPRWEZEI-ZDUSSCGKSA-N 0 2 407.408 -0.393 20 0 HBADLN CN(CCCNC(=O)CS(=O)(=O)c1n[nH]c(-c2ccccc2)n1)S(C)(=O)=O ZINC000571252321 1070715416 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ZINC001170218271 1070512872 /nfs/dbraw/zinc/51/28/72/1070512872.db2.gz SSXPZAUPAWKLHV-UHFFFAOYSA-N 0 2 406.428 -0.064 20 0 HBADLN COC(=O)c1nc2ccc(NCCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)nc2[nH]1 ZINC001171088292 1071031001 /nfs/dbraw/zinc/03/10/01/1071031001.db2.gz MMLQRUFWIDURMW-UHFFFAOYSA-N 0 2 401.383 -0.456 20 0 HBADLN CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001176367094 1071222861 /nfs/dbraw/zinc/22/28/61/1071222861.db2.gz HQNPPQPTCWDAQW-OAHLLOKOSA-N 0 2 407.452 -0.286 20 0 HBADLN CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CC(=O)[N-]S(C)(=O)=O)cc1 ZINC001176367094 1071222849 /nfs/dbraw/zinc/22/28/49/1071222849.db2.gz HQNPPQPTCWDAQW-OAHLLOKOSA-N 0 2 407.452 -0.286 20 0 HBADLN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001176441494 1071223533 /nfs/dbraw/zinc/22/35/33/1071223533.db2.gz AJIYMFRUVPPDFA-JTQLQIEISA-N 0 2 419.446 -0.288 20 0 HBADLN CC(C)(C)OC(=O)N1CCC2(CC1)c1nnnn1C[C@@H]2C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001176441495 1071223589 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/nfs/dbraw/zinc/24/18/87/1071241887.db2.gz OARYWHGGOSKDGC-HNNXBMFYSA-N 0 2 412.410 -0.754 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC001176869478 1071241874 /nfs/dbraw/zinc/24/18/74/1071241874.db2.gz OARYWHGGOSKDGC-HNNXBMFYSA-N 0 2 412.410 -0.754 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)CCCNC(=O)c1cccnc1 ZINC001176892266 1071242757 /nfs/dbraw/zinc/24/27/57/1071242757.db2.gz FROSLXUWUNIGCG-HNNXBMFYSA-N 0 2 416.438 -0.367 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)CCCNC(=O)c1cccnc1 ZINC001176892266 1071242747 /nfs/dbraw/zinc/24/27/47/1071242747.db2.gz FROSLXUWUNIGCG-HNNXBMFYSA-N 0 2 416.438 -0.367 20 0 HBADLN N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176956691 1071244366 /nfs/dbraw/zinc/24/43/66/1071244366.db2.gz ISDYNHIHUYINTG-SECBINFHSA-N 0 2 409.428 -0.340 20 0 HBADLN N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176956692 1071244319 /nfs/dbraw/zinc/24/43/19/1071244319.db2.gz ISDYNHIHUYINTG-VIFPVBQESA-N 0 2 409.428 -0.340 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)Cn1cc(Br)cn1 ZINC001176997181 1071246291 /nfs/dbraw/zinc/24/62/91/1071246291.db2.gz VBTOJLJECZMWSY-NSHDSACASA-N 0 2 413.232 -0.313 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)Cn1cc(Br)cn1 ZINC001176997181 1071246283 /nfs/dbraw/zinc/24/62/83/1071246283.db2.gz VBTOJLJECZMWSY-NSHDSACASA-N 0 2 413.232 -0.313 20 0 HBADLN C[C@H]1[C@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001177087913 1071249347 /nfs/dbraw/zinc/24/93/47/1071249347.db2.gz JPTLNFALKLNYPU-GDPRMGEGSA-N 0 2 417.444 -0.636 20 0 HBADLN C[C@H]1[C@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001177087913 1071249344 /nfs/dbraw/zinc/24/93/44/1071249344.db2.gz JPTLNFALKLNYPU-GDPRMGEGSA-N 0 2 417.444 -0.636 20 0 HBADLN C[C@H]1[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001177087915 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MSVWHTXOWQZKAG-YTEVENLXSA-N 0 2 400.475 -0.334 20 0 HBADLN CCN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3C(=O)N(S(=O)(=O)[O-])[C@H]3C)cc2)CC1 ZINC001190858163 1071646775 /nfs/dbraw/zinc/64/67/75/1071646775.db2.gz UWXGSAJBESIKRO-BBRMVZONSA-N 0 2 410.496 -0.044 20 0 HBADLN CC1(c2cccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])n2)OCCO1 ZINC001190859172 1071646717 /nfs/dbraw/zinc/64/67/17/1071646717.db2.gz UKKAZFBPUTXPQD-AWEZNQCLSA-N 0 2 417.422 -0.044 20 0 HBADLN CC1(c2cccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])n2)OCCO1 ZINC001190859172 1071646713 /nfs/dbraw/zinc/64/67/13/1071646713.db2.gz UKKAZFBPUTXPQD-AWEZNQCLSA-N 0 2 417.422 -0.044 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnc(-c2ncccn2)nc1 ZINC001190901362 1071646650 /nfs/dbraw/zinc/64/66/50/1071646650.db2.gz OBAWTHBXKAGHAM-ZDUSSCGKSA-N 0 2 410.394 -0.411 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnc(-c2ncccn2)nc1 ZINC001190901362 1071646643 /nfs/dbraw/zinc/64/66/43/1071646643.db2.gz 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HBADLN CN1CCN(C2CN(C(=O)c3cc(S(N)(=O)=O)c(Cl)cc3O)C2)CC1=O ZINC001191024871 1071648459 /nfs/dbraw/zinc/64/84/59/1071648459.db2.gz IPWHALDUJDJCNJ-UHFFFAOYSA-N 0 2 402.860 -0.709 20 0 HBADLN CC(C)NC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2O)CC1 ZINC001191025345 1071648529 /nfs/dbraw/zinc/64/85/29/1071648529.db2.gz MDQATDMXLCSVPQ-UHFFFAOYSA-N 0 2 418.903 -0.025 20 0 HBADLN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O ZINC001191025752 1071648447 /nfs/dbraw/zinc/64/84/47/1071648447.db2.gz SAXVKCAYHKMBOB-JTQLQIEISA-N 0 2 419.843 -0.413 20 0 HBADLN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O ZINC001191025753 1071648975 /nfs/dbraw/zinc/64/89/75/1071648975.db2.gz SAXVKCAYHKMBOB-SNVBAGLBSA-N 0 2 419.843 -0.413 20 0 HBADLN COC(=O)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2O)CCN1C(C)=O ZINC001191026548 1071649096 /nfs/dbraw/zinc/64/90/96/1071649096.db2.gz UTMMDFURCOHMKB-LLVKDONJSA-N 0 2 419.843 -0.461 20 0 HBADLN COC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2O)CCN1C(C)=O 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/nfs/dbraw/zinc/68/66/04/1071686604.db2.gz NSTAVWIXSGIJSH-XNIJJKJLSA-N 0 2 413.456 -0.366 20 0 HBADLN CC(=O)NCc1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001194084971 1071696990 /nfs/dbraw/zinc/69/69/90/1071696990.db2.gz QKSKXOAUKWADQM-INIZCTEOSA-N 0 2 401.423 -0.022 20 0 HBADLN CC(=O)NCc1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC001194084971 1071696984 /nfs/dbraw/zinc/69/69/84/1071696984.db2.gz QKSKXOAUKWADQM-INIZCTEOSA-N 0 2 401.423 -0.022 20 0 HBADLN CS(=O)(=O)c1cncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC001194138272 1071698696 /nfs/dbraw/zinc/69/86/96/1071698696.db2.gz CGBMFUNJPRFINW-ZDUSSCGKSA-N 0 2 409.424 -0.860 20 0 HBADLN CS(=O)(=O)c1cncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001194138272 1071698691 /nfs/dbraw/zinc/69/86/91/1071698691.db2.gz CGBMFUNJPRFINW-ZDUSSCGKSA-N 0 2 409.424 -0.860 20 0 HBADLN Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001194194485 1071699394 /nfs/dbraw/zinc/69/93/94/1071699394.db2.gz ATGMMBMHRDYWAD-AWEZNQCLSA-N 0 2 404.471 -0.052 20 0 HBADLN Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)n(C)[n-]1)C2 ZINC001194194487 1071699373 /nfs/dbraw/zinc/69/93/73/1071699373.db2.gz ATGMMBMHRDYWAD-CQSZACIVSA-N 0 2 404.471 -0.052 20 0 HBADLN COC(=O)[C@@]1(CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2)C[C@@H]1S(C)(=O)=O ZINC001194302654 1071700372 /nfs/dbraw/zinc/70/03/72/1071700372.db2.gz OYCHZNVKLDMAPZ-CVDOSRGISA-N 0 2 424.522 -0.046 20 0 HBADLN COC(=O)[C@@]1(CNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)C[C@@H]1S(C)(=O)=O ZINC001194302656 1071700452 /nfs/dbraw/zinc/70/04/52/1071700452.db2.gz OYCHZNVKLDMAPZ-YZYGWBJASA-N 0 2 424.522 -0.046 20 0 HBADLN Cn1nc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1Br ZINC001194441482 1071702896 /nfs/dbraw/zinc/70/28/96/1071702896.db2.gz QCKLJGPDWCLKGQ-JTQLQIEISA-N 0 2 413.232 -0.162 20 0 HBADLN Cn1nc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1Br ZINC001194441482 1071702894 /nfs/dbraw/zinc/70/28/94/1071702894.db2.gz QCKLJGPDWCLKGQ-JTQLQIEISA-N 0 2 413.232 -0.162 20 0 HBADLN COCCn1cccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1=O ZINC001194500156 1071703558 /nfs/dbraw/zinc/70/35/58/1071703558.db2.gz QJAKMZUKEADVHH-AWEZNQCLSA-N 0 2 405.411 -0.850 20 0 HBADLN COCCn1cccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1=O ZINC001194500156 1071703549 /nfs/dbraw/zinc/70/35/49/1071703549.db2.gz QJAKMZUKEADVHH-AWEZNQCLSA-N 0 2 405.411 -0.850 20 0 HBADLN COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001194525079 1071704210 /nfs/dbraw/zinc/70/42/10/1071704210.db2.gz JEMODABXIORVOS-HDICACEKSA-N 0 2 400.479 -0.066 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cccn(CC2CC2)c1=O ZINC001194600587 1071704707 /nfs/dbraw/zinc/70/47/07/1071704707.db2.gz OURYHAQCUGBJNT-HNNXBMFYSA-N 0 2 401.423 -0.087 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cccn(CC2CC2)c1=O ZINC001194600587 1071704702 /nfs/dbraw/zinc/70/47/02/1071704702.db2.gz OURYHAQCUGBJNT-HNNXBMFYSA-N 0 2 401.423 -0.087 20 0 HBADLN CS(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])ccn1 ZINC001194691139 1071707600 /nfs/dbraw/zinc/70/76/00/1071707600.db2.gz IQQJJIXBFQACBW-LBPRGKRZSA-N 0 2 409.424 -0.860 20 0 HBADLN CS(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])ccn1 ZINC001194691139 1071707585 /nfs/dbraw/zinc/70/75/85/1071707585.db2.gz IQQJJIXBFQACBW-LBPRGKRZSA-N 0 2 409.424 -0.860 20 0 HBADLN O=C1CCC(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)C[C@H]2O)CC1 ZINC001194758876 1071708714 /nfs/dbraw/zinc/70/87/14/1071708714.db2.gz BBPWBMXRYOKZGC-KANYHAFZSA-N 0 2 411.440 -0.280 20 0 HBADLN O=C1CCC(S(=O)(=O)Nc2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](CO)O2)CC1 ZINC001194759280 1071708898 /nfs/dbraw/zinc/70/88/98/1071708898.db2.gz JTVKMRHQURTAOK-YNEHKIRRSA-N 0 2 411.440 -0.280 20 0 HBADLN Cn1c[nH+]cc1-c1cccc(C(=O)n2c(=N)nc(OS(=O)(=O)[O-])c(N)c2N)c1 ZINC001194887318 1071711235 /nfs/dbraw/zinc/71/12/35/1071711235.db2.gz NECHSLCAMOUXLC-UHFFFAOYSA-N 0 2 405.396 -0.202 20 0 HBADLN Cn1cc(S(=O)(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)c(Br)n1 ZINC001195370236 1071717885 /nfs/dbraw/zinc/71/78/85/1071717885.db2.gz AYUSEPULNZMTOF-UHFFFAOYSA-N 0 2 413.279 -0.676 20 0 HBADLN CS(=O)(=O)Cc1nnc(CNS(=O)(=O)c2cncc(Br)c2)[nH]1 ZINC001195370296 1071717933 /nfs/dbraw/zinc/71/79/33/1071717933.db2.gz CXTFWGCVAXVMOT-UHFFFAOYSA-N 0 2 410.275 -0.015 20 0 HBADLN Cn1ncc(S(=O)(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)c1Br ZINC001195371246 1071717875 /nfs/dbraw/zinc/71/78/75/1071717875.db2.gz PEWVUZWYHQUPKF-UHFFFAOYSA-N 0 2 413.279 -0.676 20 0 HBADLN O=S(=O)(Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(O)cc1 ZINC001195767586 1071726556 /nfs/dbraw/zinc/72/65/56/1071726556.db2.gz PERZYSAQOFWCOK-VMUDFCTBSA-N 0 2 422.419 -0.451 20 0 HBADLN COc1cnc(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)o1 ZINC001195800853 1071727220 /nfs/dbraw/zinc/72/72/20/1071727220.db2.gz MPVXYTBCHBUEIK-UHFFFAOYSA-N 0 2 410.817 -0.116 20 0 HBADLN CS(=O)(=O)Cc1ncccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001196061650 1071732392 /nfs/dbraw/zinc/73/23/92/1071732392.db2.gz JIIQNHITNOMBAN-ZDUSSCGKSA-N 0 2 423.451 -0.719 20 0 HBADLN CS(=O)(=O)Cc1ncccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001196061650 1071732389 /nfs/dbraw/zinc/73/23/89/1071732389.db2.gz JIIQNHITNOMBAN-ZDUSSCGKSA-N 0 2 423.451 -0.719 20 0 HBADLN CS(=O)(=O)c1cccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])n1 ZINC001196418985 1071739021 /nfs/dbraw/zinc/73/90/21/1071739021.db2.gz LAFUBRFKFLGOJE-LBPRGKRZSA-N 0 2 409.424 -0.860 20 0 HBADLN CS(=O)(=O)c1cccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])n1 ZINC001196418985 1071739017 /nfs/dbraw/zinc/73/90/17/1071739017.db2.gz LAFUBRFKFLGOJE-LBPRGKRZSA-N 0 2 409.424 -0.860 20 0 HBADLN CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])nc1 ZINC001196717328 1071742103 /nfs/dbraw/zinc/74/21/03/1071742103.db2.gz UOKQDPKQYYNFQI-ZDUSSCGKSA-N 0 2 409.424 -0.860 20 0 HBADLN CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])nc1 ZINC001196717328 1071742097 /nfs/dbraw/zinc/74/20/97/1071742097.db2.gz UOKQDPKQYYNFQI-ZDUSSCGKSA-N 0 2 409.424 -0.860 20 0 HBADLN COC(=O)CCCCS(=O)(=O)N1CC[NH+](CCCCS(=O)(=O)[O-])CC1 ZINC001196945905 1071744438 /nfs/dbraw/zinc/74/44/38/1071744438.db2.gz UZHHWNWPHREDFI-UHFFFAOYSA-N 0 2 400.519 -0.055 20 0 HBADLN O=C(CCNC(=O)c1cnn(C2CCOCC2)c1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001197123095 1071745562 /nfs/dbraw/zinc/74/55/62/1071745562.db2.gz DCUDUMBEWXUEBN-HNNXBMFYSA-N 0 2 404.427 -0.110 20 0 HBADLN O=C(CCNC(=O)c1cnn(C2CCOCC2)c1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001197123095 1071745558 /nfs/dbraw/zinc/74/55/58/1071745558.db2.gz DCUDUMBEWXUEBN-HNNXBMFYSA-N 0 2 404.427 -0.110 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ncn(Cc2ccccc2)n1 ZINC001197189826 1071745958 /nfs/dbraw/zinc/74/59/58/1071745958.db2.gz LDHBZKJXCHSFGG-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ncn(Cc2ccccc2)n1 ZINC001197189826 1071745951 /nfs/dbraw/zinc/74/59/51/1071745951.db2.gz LDHBZKJXCHSFGG-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN O=S(=O)(Cc1cccnc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001197422301 1071748932 /nfs/dbraw/zinc/74/89/32/1071748932.db2.gz MEOUBDDLTZSJBQ-HWWQOWPSSA-N 0 2 406.424 -0.196 20 0 HBADLN O=S(=O)(Cc1cccnc1)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001197422382 1071748965 /nfs/dbraw/zinc/74/89/65/1071748965.db2.gz NVPQXZSHBQYJEK-YNEHKIRRSA-N 0 2 406.424 -0.196 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnn(Cc2cccnc2)c1 ZINC001197503694 1071749426 /nfs/dbraw/zinc/74/94/26/1071749426.db2.gz HNHHTEINHXBZJS-INIZCTEOSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnn(Cc2cccnc2)c1 ZINC001197503694 1071749418 /nfs/dbraw/zinc/74/94/18/1071749418.db2.gz HNHHTEINHXBZJS-INIZCTEOSA-N 0 2 411.422 -0.019 20 0 HBADLN O=S(=O)(Cc1cc(Cl)ccc1Cl)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001197549089 1071750044 /nfs/dbraw/zinc/75/00/44/1071750044.db2.gz PEQOHRVVQYCLMB-SYLRKERUSA-N 0 2 402.252 -0.787 20 0 HBADLN O=S(=O)(Cc1cc(Cl)ccc1Cl)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001197549090 1071750062 /nfs/dbraw/zinc/75/00/62/1071750062.db2.gz PEQOHRVVQYCLMB-VEGXAWMVSA-N 0 2 402.252 -0.787 20 0 HBADLN COCCOc1ncccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001197638991 1071750530 /nfs/dbraw/zinc/75/05/30/1071750530.db2.gz QSDHZYCZAAYWEF-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1ncccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001197638991 1071750528 /nfs/dbraw/zinc/75/05/28/1071750528.db2.gz QSDHZYCZAAYWEF-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1cccnc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001197691925 1071750452 /nfs/dbraw/zinc/75/04/52/1071750452.db2.gz BHBGDCBATLJTHM-ZDUSSCGKSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1cccnc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001197691925 1071750449 /nfs/dbraw/zinc/75/04/49/1071750449.db2.gz BHBGDCBATLJTHM-ZDUSSCGKSA-N 0 2 405.411 -0.238 20 0 HBADLN O=S(=O)(Cc1cccc(Cl)c1Cl)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001197765117 1071751829 /nfs/dbraw/zinc/75/18/29/1071751829.db2.gz BJTXXEKOFIJLLB-JOLIMNQDSA-N 0 2 402.252 -0.787 20 0 HBADLN O=S(=O)(Cc1cccc(Cl)c1Cl)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001197765120 1071752632 /nfs/dbraw/zinc/75/26/32/1071752632.db2.gz BJTXXEKOFIJLLB-WECGXBHGSA-N 0 2 402.252 -0.787 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197777986 1071752670 /nfs/dbraw/zinc/75/26/70/1071752670.db2.gz CXYZKLOXIQOXNO-AWEZNQCLSA-N 0 2 402.411 -0.692 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197777986 1071752664 /nfs/dbraw/zinc/75/26/64/1071752664.db2.gz CXYZKLOXIQOXNO-AWEZNQCLSA-N 0 2 402.411 -0.692 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cncn1Cc1ccncc1 ZINC001197895772 1071754303 /nfs/dbraw/zinc/75/43/03/1071754303.db2.gz ZVWWCFKALPEIPD-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1c(O)[nH]c(=O)[nH]c1=S ZINC001197918207 1071754194 /nfs/dbraw/zinc/75/41/94/1071754194.db2.gz SEYGCNGVGNQKFN-LLVKDONJSA-N 0 2 400.438 -0.143 20 0 HBADLN CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1c(O)[nH]c(=O)[nH]c1=S ZINC001197918208 1071754230 /nfs/dbraw/zinc/75/42/30/1071754230.db2.gz SEYGCNGVGNQKFN-NSHDSACASA-N 0 2 400.438 -0.143 20 0 HBADLN O=C(CCNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)N1CCOCC1 ZINC001197983891 1071756628 /nfs/dbraw/zinc/75/66/28/1071756628.db2.gz WQUCNDIGUCSETQ-UHFFFAOYSA-N 0 2 407.814 -0.035 20 0 HBADLN CS(=O)(=O)N1CCN(C(=O)c2cc(-n3ncc(=O)[nH]c3=O)ccc2Cl)CC1 ZINC001197987834 1071756970 /nfs/dbraw/zinc/75/69/70/1071756970.db2.gz JFEFCLCGIOPCMB-UHFFFAOYSA-N 0 2 413.843 -0.296 20 0 HBADLN O=C(c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)N1CCN2C(=O)COC[C@H]2C1 ZINC001197988068 1071757255 /nfs/dbraw/zinc/75/72/55/1071757255.db2.gz MPRYYXHCTRKMGX-LLVKDONJSA-N 0 2 405.798 -0.330 20 0 HBADLN O=C(c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)N1CCN2C(=O)COC[C@@H]2C1 ZINC001197988092 1071757172 /nfs/dbraw/zinc/75/71/72/1071757172.db2.gz MPRYYXHCTRKMGX-NSHDSACASA-N 0 2 405.798 -0.330 20 0 HBADLN O=C(c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)N1CC(N2CCNC(=O)C2)C1 ZINC001197988358 1071757014 /nfs/dbraw/zinc/75/70/14/1071757014.db2.gz MUNSKYGGTFBTPA-UHFFFAOYSA-N 0 2 404.814 -0.757 20 0 HBADLN CN1CCN(C2CN(C(=O)c3cc(-n4ncc(=O)[nH]c4=O)ccc3Cl)C2)CC1=O ZINC001197988359 1071757263 /nfs/dbraw/zinc/75/72/63/1071757263.db2.gz MUWPHOHYQABJQO-UHFFFAOYSA-N 0 2 418.841 -0.415 20 0 HBADLN COC(=O)CN1CCN(C(=O)c2cc(-n3ncc(=O)[nH]c3=O)ccc2Cl)CC1 ZINC001197989139 1071757244 /nfs/dbraw/zinc/75/72/44/1071757244.db2.gz WUNGXJHHTSDVJG-UHFFFAOYSA-N 0 2 407.814 -0.083 20 0 HBADLN O=C(c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001197992543 1071757106 /nfs/dbraw/zinc/75/71/06/1071757106.db2.gz VQWMGAITYSSOPH-UHFFFAOYSA-N 0 2 403.782 -0.040 20 0 HBADLN COC(=O)[C@H]1CN(C(=O)c2cc(-n3ncc(=O)[nH]c3=O)ccc2Cl)CCN1C ZINC001197998654 1071756550 /nfs/dbraw/zinc/75/65/50/1071756550.db2.gz HOGYGZVIHVVDJW-CYBMUJFWSA-N 0 2 407.814 -0.084 20 0 HBADLN COC(=O)[C@@H]1CN(C(=O)c2cc(-n3ncc(=O)[nH]c3=O)ccc2Cl)CCN1C ZINC001197998655 1071756443 /nfs/dbraw/zinc/75/64/43/1071756443.db2.gz HOGYGZVIHVVDJW-ZDUSSCGKSA-N 0 2 407.814 -0.084 20 0 HBADLN COC(=O)[C@H]1CN(C)CCN1C(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl ZINC001197999454 1071756635 /nfs/dbraw/zinc/75/66/35/1071756635.db2.gz QILWRSJIHPUTEY-CYBMUJFWSA-N 0 2 407.814 -0.084 20 0 HBADLN COC(=O)[C@@H]1CN(C)CCN1C(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl ZINC001197999455 1071756482 /nfs/dbraw/zinc/75/64/82/1071756482.db2.gz QILWRSJIHPUTEY-ZDUSSCGKSA-N 0 2 407.814 -0.084 20 0 HBADLN O=C(NCCN1CCCS1(=O)=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl ZINC001198007801 1071756599 /nfs/dbraw/zinc/75/65/99/1071756599.db2.gz 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HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccncc1N1CCOCC1 ZINC001198216892 1071759381 /nfs/dbraw/zinc/75/93/81/1071759381.db2.gz GQPQOVIKFMLHBD-HNNXBMFYSA-N 0 2 416.438 -0.427 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1nccn1Cc1ccccn1 ZINC001198287267 1071760118 /nfs/dbraw/zinc/76/01/18/1071760118.db2.gz LOVWVSLRCXKMFI-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1nccn1Cc1ccccn1 ZINC001198287267 1071760110 /nfs/dbraw/zinc/76/01/10/1071760110.db2.gz LOVWVSLRCXKMFI-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cn(Cc2ccccn2)cn1 ZINC001198376760 1071761959 /nfs/dbraw/zinc/76/19/59/1071761959.db2.gz DUVRLHGJAJREPE-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cn(Cc2ccccn2)cn1 ZINC001198376760 1071761948 /nfs/dbraw/zinc/76/19/48/1071761948.db2.gz DUVRLHGJAJREPE-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN 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Cn1c(=O)c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])nc2ccccc21 ZINC001198665747 1071766693 /nfs/dbraw/zinc/76/66/93/1071766693.db2.gz ZXYCNMZRUATARJ-ZDUSSCGKSA-N 0 2 412.406 -0.411 20 0 HBADLN COCCn1c(=O)cccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001198700632 1071766591 /nfs/dbraw/zinc/76/65/91/1071766591.db2.gz OOOANXALXXRXNO-ZDUSSCGKSA-N 0 2 405.411 -0.850 20 0 HBADLN COCCn1c(=O)cccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001198700632 1071766588 /nfs/dbraw/zinc/76/65/88/1071766588.db2.gz OOOANXALXXRXNO-ZDUSSCGKSA-N 0 2 405.411 -0.850 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccn(CC2CC2)c(=O)c1 ZINC001198781332 1071767920 /nfs/dbraw/zinc/76/79/20/1071767920.db2.gz LKAUQLAMROXEDK-HNNXBMFYSA-N 0 2 401.423 -0.087 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccn(CC2CC2)c(=O)c1 ZINC001198781332 1071767916 /nfs/dbraw/zinc/76/79/16/1071767916.db2.gz LKAUQLAMROXEDK-HNNXBMFYSA-N 0 2 401.423 -0.087 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cccc(=O)n1CC1CC1 ZINC001198802468 1071768402 /nfs/dbraw/zinc/76/84/02/1071768402.db2.gz MJHCDRBUTQLCGZ-AWEZNQCLSA-N 0 2 401.423 -0.087 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cccc(=O)n1CC1CC1 ZINC001198802468 1071768391 /nfs/dbraw/zinc/76/83/91/1071768391.db2.gz MJHCDRBUTQLCGZ-AWEZNQCLSA-N 0 2 401.423 -0.087 20 0 HBADLN COCCn1cc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])ccc1=O ZINC001198838603 1071768894 /nfs/dbraw/zinc/76/88/94/1071768894.db2.gz DDYQADKXYCBKHC-AWEZNQCLSA-N 0 2 405.411 -0.850 20 0 HBADLN COCCn1cc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])ccc1=O ZINC001198838603 1071768874 /nfs/dbraw/zinc/76/88/74/1071768874.db2.gz DDYQADKXYCBKHC-AWEZNQCLSA-N 0 2 405.411 -0.850 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccc(=O)n(CC2CC2)c1 ZINC001198920122 1071769961 /nfs/dbraw/zinc/76/99/61/1071769961.db2.gz HFWVRLMMYMEMTQ-HNNXBMFYSA-N 0 2 401.423 -0.087 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccc(=O)n(CC2CC2)c1 ZINC001198920122 1071769956 /nfs/dbraw/zinc/76/99/56/1071769956.db2.gz HFWVRLMMYMEMTQ-HNNXBMFYSA-N 0 2 401.423 -0.087 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnc(=O)n(C2CCC2)c1 ZINC001198976628 1071770536 /nfs/dbraw/zinc/77/05/36/1071770536.db2.gz VDNBFYSYNJZHRT-AWEZNQCLSA-N 0 2 402.411 -0.377 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnc(=O)n(C2CCC2)c1 ZINC001198976628 1071770527 /nfs/dbraw/zinc/77/05/27/1071770527.db2.gz VDNBFYSYNJZHRT-AWEZNQCLSA-N 0 2 402.411 -0.377 20 0 HBADLN COCCOc1cncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC001198996720 1071771324 /nfs/dbraw/zinc/77/13/24/1071771324.db2.gz NTCJPZOGNUFJND-HNNXBMFYSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1cncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001198996720 1071771322 /nfs/dbraw/zinc/77/13/22/1071771322.db2.gz NTCJPZOGNUFJND-HNNXBMFYSA-N 0 2 405.411 -0.238 20 0 HBADLN O=C(CCNC(=O)c1cncn1C1CCOCC1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001199079148 1071771826 /nfs/dbraw/zinc/77/18/26/1071771826.db2.gz KMCGMHQHFKTGJO-AWEZNQCLSA-N 0 2 404.427 -0.110 20 0 HBADLN O=C(CCNC(=O)c1cncn1C1CCOCC1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001199079148 1071771820 /nfs/dbraw/zinc/77/18/20/1071771820.db2.gz KMCGMHQHFKTGJO-AWEZNQCLSA-N 0 2 404.427 -0.110 20 0 HBADLN COCCOc1cnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC001199133201 1071772376 /nfs/dbraw/zinc/77/23/76/1071772376.db2.gz WTGYBOGKXFYBMD-LBPRGKRZSA-N 0 2 406.399 -0.843 20 0 HBADLN COCCOc1cnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC001199133201 1071772371 /nfs/dbraw/zinc/77/23/71/1071772371.db2.gz WTGYBOGKXFYBMD-LBPRGKRZSA-N 0 2 406.399 -0.843 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnc(OCC2CC2)cn1 ZINC001199141513 1071772421 /nfs/dbraw/zinc/77/24/21/1071772421.db2.gz FKTVKBRLDDMPTA-ZDUSSCGKSA-N 0 2 402.411 -0.080 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnc(OCC2CC2)cn1 ZINC001199141513 1071772419 /nfs/dbraw/zinc/77/24/19/1071772419.db2.gz FKTVKBRLDDMPTA-ZDUSSCGKSA-N 0 2 402.411 -0.080 20 0 HBADLN COCCOc1ccnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])n1 ZINC001199194965 1071773596 /nfs/dbraw/zinc/77/35/96/1071773596.db2.gz VRQXOJXXMSERDB-LBPRGKRZSA-N 0 2 406.399 -0.843 20 0 HBADLN COCCOc1ccnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])n1 ZINC001199194965 1071773592 /nfs/dbraw/zinc/77/35/92/1071773592.db2.gz VRQXOJXXMSERDB-LBPRGKRZSA-N 0 2 406.399 -0.843 20 0 HBADLN COCCOc1ccnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC001199216710 1071774179 /nfs/dbraw/zinc/77/41/79/1071774179.db2.gz HHDJLPZALMZODM-HNNXBMFYSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1ccnc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001199216710 1071774164 /nfs/dbraw/zinc/77/41/64/1071774164.db2.gz HHDJLPZALMZODM-HNNXBMFYSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1ccncc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001199237056 1071774300 /nfs/dbraw/zinc/77/43/00/1071774300.db2.gz UQNIQQVOPIFRQD-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1ccncc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001199237056 1071774291 /nfs/dbraw/zinc/77/42/91/1071774291.db2.gz UQNIQQVOPIFRQD-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1ncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC001199257540 1071775461 /nfs/dbraw/zinc/77/54/61/1071775461.db2.gz MAXLJSJYYCQMFJ-ZDUSSCGKSA-N 0 2 406.399 -0.843 20 0 HBADLN COCCOc1ncc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC001199257540 1071775457 /nfs/dbraw/zinc/77/54/57/1071775457.db2.gz MAXLJSJYYCQMFJ-ZDUSSCGKSA-N 0 2 406.399 -0.843 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cncc(N2CCOCC2)c1 ZINC001199277441 1071776039 /nfs/dbraw/zinc/77/60/39/1071776039.db2.gz RIQPKGIPPDYPRU-INIZCTEOSA-N 0 2 416.438 -0.427 20 0 HBADLN 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O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1nccn1Cc1cccnc1 ZINC001199402479 1071777190 /nfs/dbraw/zinc/77/71/90/1071777190.db2.gz PXJOIMGONCZNAF-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1nccn1Cc1cccnc1 ZINC001199402479 1071777188 /nfs/dbraw/zinc/77/71/88/1071777188.db2.gz PXJOIMGONCZNAF-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cn(Cc2ccncc2)cn1 ZINC001199424120 1071777064 /nfs/dbraw/zinc/77/70/64/1071777064.db2.gz SPWQVHINWLJLCU-HNNXBMFYSA-N 0 2 411.422 -0.019 20 0 HBADLN COCCOc1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cn1 ZINC001199549925 1071779127 /nfs/dbraw/zinc/77/91/27/1071779127.db2.gz RIVHETSPVQSOMZ-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1ccc(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cn1 ZINC001199549925 1071779121 /nfs/dbraw/zinc/77/91/21/1071779121.db2.gz RIVHETSPVQSOMZ-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN O=C(CCNC(=O)c1cnn(CC2CCOCC2)c1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001199568871 1071779088 /nfs/dbraw/zinc/77/90/88/1071779088.db2.gz LYNMMAFQHVVBMN-INIZCTEOSA-N 0 2 418.454 -0.035 20 0 HBADLN O=C(CCNC(=O)c1cnn(CC2CCOCC2)c1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001199568871 1071779078 /nfs/dbraw/zinc/77/90/78/1071779078.db2.gz LYNMMAFQHVVBMN-INIZCTEOSA-N 0 2 418.454 -0.035 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnn(Cc2ccccn2)c1 ZINC001199576015 1071778990 /nfs/dbraw/zinc/77/89/90/1071778990.db2.gz JSCMUOPXDGKYGI-INIZCTEOSA-N 0 2 411.422 -0.019 20 0 HBADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnn(Cc2ccccn2)c1 ZINC001199576015 1071778986 /nfs/dbraw/zinc/77/89/86/1071778986.db2.gz JSCMUOPXDGKYGI-INIZCTEOSA-N 0 2 411.422 -0.019 20 0 HBADLN COCCOc1cnccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001199626995 1071779703 /nfs/dbraw/zinc/77/97/03/1071779703.db2.gz BTDYEYCENDWIFJ-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN COCCOc1cnccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001199626995 1071779698 /nfs/dbraw/zinc/77/96/98/1071779698.db2.gz BTDYEYCENDWIFJ-AWEZNQCLSA-N 0 2 405.411 -0.238 20 0 HBADLN Cc1cn2c(ncc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])c2=O)s1 ZINC001201225515 1071790653 /nfs/dbraw/zinc/79/06/53/1071790653.db2.gz ZSTYTTOCBVWICM-LBPRGKRZSA-N 0 2 418.435 -0.280 20 0 HBADLN Cc1cn2c(ncc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])c2=O)s1 ZINC001201225515 1071790643 /nfs/dbraw/zinc/79/06/43/1071790643.db2.gz ZSTYTTOCBVWICM-LBPRGKRZSA-N 0 2 418.435 -0.280 20 0 HBADLN Cc1ccn2c(c1)ncc(C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c2=O ZINC001201263729 1071790915 /nfs/dbraw/zinc/79/09/15/1071790915.db2.gz UOBXJZNISPJDML-AWEZNQCLSA-N 0 2 412.406 -0.342 20 0 HBADLN Cc1ccn2c(c1)ncc(C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])c2=O ZINC001201263729 1071790913 /nfs/dbraw/zinc/79/09/13/1071790913.db2.gz UOBXJZNISPJDML-AWEZNQCLSA-N 0 2 412.406 -0.342 20 0 HBADLN 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