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)Cc1cc(C(=O)NCCSc2cn[nH]n2)nc(N)n1 ZINC000821471614 758174621 /nfs/dbraw/zinc/17/46/21/758174621.db2.gz GWGYGNKWTNCPGX-UHFFFAOYSA-N 0 1 321.410 0.898 50 0 DCAAMN CN1CCN(C2(CNS(=O)(=O)C3CC3)CCCC2)CC1 ZINC000823789482 758275062 /nfs/dbraw/zinc/27/50/62/758275062.db2.gz WMZHEAYEWUSLEJ-UHFFFAOYSA-N 0 1 301.456 0.628 50 0 DCAAMN COc1cccc(OCc2nc(-c3c[nH]nn3)n(CCO)n2)c1 ZINC000828778336 759093381 /nfs/dbraw/zinc/09/33/81/759093381.db2.gz HLISHSUAKXYBNC-UHFFFAOYSA-N 0 1 316.321 0.643 50 0 DCAAMN Cn1c(CO)nnc1C1CCN(Cc2cnc(N)s2)CC1 ZINC000828839072 759112387 /nfs/dbraw/zinc/11/23/87/759112387.db2.gz CZIQIOFNFQYCGI-UHFFFAOYSA-N 0 1 308.411 0.726 50 0 DCAAMN CS(=O)(=O)CCN1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000219584334 766272662 /nfs/dbraw/zinc/27/26/62/766272662.db2.gz ZZJSYCFSQPPGTD-ZDUSSCGKSA-N 0 1 310.419 0.695 50 0 DCAAMN CO[C@@H](C)CS(=O)(=O)Nc1nsnc1Br ZINC000585129064 766290859 /nfs/dbraw/zinc/29/08/59/766290859.db2.gz XAAHODIJUSLOCS-BYPYZUCNSA-N 0 1 316.202 1.077 50 0 DCAAMN O[C@@H]1CN(Cc2cnn3cccnc23)C[C@H]1Cc1cnccn1 ZINC001529178109 1014512932 /nfs/dbraw/zinc/51/29/32/1014512932.db2.gz IVTCQLUEUXVINY-IUODEOHRSA-N 0 1 310.361 0.555 50 0 DCAAMN CC(C)[N@H+]1CCC[C@H](C(=O)NCCCc2nonc2C(=O)[O-])C1 ZINC000095528615 185378256 /nfs/dbraw/zinc/37/82/56/185378256.db2.gz IECVLHSDEGBJGC-NSHDSACASA-N 0 1 324.381 0.937 50 0 DCAAMN Cn1nccc1CNC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000078998796 185144272 /nfs/dbraw/zinc/14/42/72/185144272.db2.gz XYTAZCHSVGYWKF-UHFFFAOYSA-N 0 1 314.393 0.497 50 0 DCAAMN C[N@H+]1CCN(c2ccc(C(=O)N3CCCC3)cn2)C[C@H]1C(=O)[O-] ZINC000244619981 529777347 /nfs/dbraw/zinc/77/73/47/529777347.db2.gz FJQUAOYCDJRJMX-ZDUSSCGKSA-N 0 1 318.377 0.523 50 0 DCAAMN Cc1ccc2nc(COCC(=O)N3CC[C@H](O)[C@@H](O)C3)[nH]c2c1 ZINC000072172537 191070099 /nfs/dbraw/zinc/07/00/99/191070099.db2.gz CNHLKLXIEOYJKL-KBPBESRZSA-N 0 1 319.361 0.342 50 0 DCAAMN Cc1[nH+]ccn1C1(C(=O)[O-])CCN(S(=O)(=O)C2CC2)CC1 ZINC000072417852 191155719 /nfs/dbraw/zinc/15/57/19/191155719.db2.gz PRYQEJMGHZQJKV-UHFFFAOYSA-N 0 1 313.379 0.559 50 0 DCAAMN Cc1nnnn1CCC[N@H+]1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072477116 191179688 /nfs/dbraw/zinc/17/96/88/191179688.db2.gz HLVYZAYYFVZUTB-UHFFFAOYSA-N 0 1 319.369 0.101 50 0 DCAAMN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000237153937 202168856 /nfs/dbraw/zinc/16/88/56/202168856.db2.gz UYUODYHWZOZVHG-CABCVRRESA-N 0 1 301.390 0.686 50 0 DCAAMN Cn1c(=O)c2cc(C(=O)c3ccccc3O)cnc2n(C)c1=O ZINC000005938246 181298354 /nfs/dbraw/zinc/29/83/54/181298354.db2.gz WQZXVKZLOVWYAU-UHFFFAOYSA-N 0 1 311.297 0.569 50 0 DCAAMN O=C(NCCOc1ncc(Cl)cc1Cl)[C@@H]1CNCCO1 ZINC000237791453 202356189 /nfs/dbraw/zinc/35/61/89/202356189.db2.gz OEGIUVARLJUTJR-JTQLQIEISA-N 0 1 320.176 0.872 50 0 DCAAMN O=C([O-])Cn1nccc1[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000426667376 304091519 /nfs/dbraw/zinc/09/15/19/304091519.db2.gz KZXMQXBFAWDCTD-ZDUSSCGKSA-N 0 1 320.393 0.770 50 0 DCAAMN CN1CC[N@@H+](CC(=O)[O-])C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091665105 193087643 /nfs/dbraw/zinc/08/76/43/193087643.db2.gz JPHOXLMIUNEFAN-INIZCTEOSA-N 0 1 309.410 0.480 50 0 DCAAMN C[N@@H+]1CCN(CC(=O)[O-])C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091665105 193087645 /nfs/dbraw/zinc/08/76/45/193087645.db2.gz JPHOXLMIUNEFAN-INIZCTEOSA-N 0 1 309.410 0.480 50 0 DCAAMN C[N@H+]1CCN(CC(=O)[O-])C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091665105 193087647 /nfs/dbraw/zinc/08/76/47/193087647.db2.gz JPHOXLMIUNEFAN-INIZCTEOSA-N 0 1 309.410 0.480 50 0 DCAAMN COCCN1CCC[C@@]2(CCN(Cc3nc(C)no3)C2)C1=O ZINC000091737574 193099302 /nfs/dbraw/zinc/09/93/02/193099302.db2.gz ZRVSLPCKVWWGQF-HNNXBMFYSA-N 0 1 308.382 0.839 50 0 DCAAMN COc1ccccc1OCCCN(C)C(=O)[C@@H]1CNCCO1 ZINC000216120200 201479814 /nfs/dbraw/zinc/47/98/14/201479814.db2.gz FDNFYHQUCIZOEN-HNNXBMFYSA-N 0 1 308.378 0.911 50 0 DCAAMN CNC(=O)NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017306055 182082403 /nfs/dbraw/zinc/08/24/03/182082403.db2.gz NHGHYWIQDBBMTI-LLVKDONJSA-N 0 1 316.365 0.716 50 0 DCAAMN COc1cccc(N2C[C@H](C(=O)N3CCNCC3)CC2=O)c1 ZINC000020745722 182245920 /nfs/dbraw/zinc/24/59/20/182245920.db2.gz FUUHGRQISVZCTI-GFCCVEGCSA-N 0 1 303.362 0.480 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000044604530 183427146 /nfs/dbraw/zinc/42/71/46/183427146.db2.gz NRQGTHJUJFSLSH-CQSZACIVSA-N 0 1 307.394 0.472 50 0 DCAAMN CC[C@H]1CN([C@H](C)C(=O)Nc2ncccn2)CCN1CCOC ZINC000106777152 194251629 /nfs/dbraw/zinc/25/16/29/194251629.db2.gz HQAZVIGLUDLENK-KGLIPLIRSA-N 0 1 321.425 0.846 50 0 DCAAMN CCOc1ccccc1-n1c(CN2CCN(C)CC2)n[nH]c1=O ZINC000065426017 184342867 /nfs/dbraw/zinc/34/28/67/184342867.db2.gz NDITWDGJJAWBBR-UHFFFAOYSA-N 0 1 317.393 0.707 50 0 DCAAMN CC(=O)N1CCN(CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000065451852 184346975 /nfs/dbraw/zinc/34/69/75/184346975.db2.gz KTTDZPXYWFJBDY-UHFFFAOYSA-N 0 1 315.377 0.457 50 0 DCAAMN O=c1oc2ccccc2n1CCN1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065460976 184349135 /nfs/dbraw/zinc/34/91/35/184349135.db2.gz MCAZOVRJCONUSN-NEPJUHHUSA-N 0 1 301.346 0.947 50 0 DCAAMN CN(C)[C@H](CNC(=O)Cn1cccnc1=O)c1cccs1 ZINC000065592684 184370386 /nfs/dbraw/zinc/37/03/86/184370386.db2.gz HGRXWDRIUIHXPZ-LLVKDONJSA-N 0 1 306.391 0.724 50 0 DCAAMN Cn1cnnc1SCCNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000426571819 257246004 /nfs/dbraw/zinc/24/60/04/257246004.db2.gz RSVXOOFTTYWHMI-NWDGAFQWSA-N 0 1 324.454 0.785 50 0 DCAAMN CNCc1nnc(SCc2nnc(C)[nH]2)n1C[C@H]1CCCO1 ZINC000426535884 257246785 /nfs/dbraw/zinc/24/67/85/257246785.db2.gz NPFZDNVQYRGVQU-SNVBAGLBSA-N 0 1 323.426 0.895 50 0 DCAAMN CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000426388622 257252661 /nfs/dbraw/zinc/25/26/61/257252661.db2.gz YUACEXSJWVKYPO-SNVBAGLBSA-N 0 1 311.407 0.682 50 0 DCAAMN COc1ccc(OC)c(NC(=O)CC2C(=O)Nc3ncnn32)c1 ZINC000013693208 395688756 /nfs/dbraw/zinc/68/87/56/395688756.db2.gz QLDROEAPKXTEQS-JTQLQIEISA-N 0 1 317.305 0.817 50 0 DCAAMN CCN1C(=O)N(C)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 ZINC000014748539 395689571 /nfs/dbraw/zinc/68/95/71/395689571.db2.gz WUYRBFRXSDBBQP-UHFFFAOYSA-N 0 1 319.409 0.977 50 0 DCAAMN CN1CCN(c2ccc(NC(=O)c3nccnc3N)cn2)CC1 ZINC000022324590 395691736 /nfs/dbraw/zinc/69/17/36/395691736.db2.gz DORFBMWNDDKTFH-UHFFFAOYSA-N 0 1 313.365 0.458 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)c3snnc3CC)CCO2)n[nH]1 ZINC000089282691 395709353 /nfs/dbraw/zinc/70/93/53/395709353.db2.gz ISYXPSNKWUEMSX-SECBINFHSA-N 0 1 322.394 0.995 50 0 DCAAMN CN(C[C@@H](O)CN1CCN(C)CC1)C(=O)CC1=CCCCC1 ZINC000089382640 395710442 /nfs/dbraw/zinc/71/04/42/395710442.db2.gz KEAIFESUPWMBPB-MRXNPFEDSA-N 0 1 309.454 0.944 50 0 DCAAMN COc1cccc2c(=O)n(CCN3CCN(C)CC3)cnc12 ZINC000032576746 395711495 /nfs/dbraw/zinc/71/14/95/395711495.db2.gz YNGXMXLJMAYMDI-UHFFFAOYSA-N 0 1 302.378 0.653 50 0 DCAAMN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCn2cncn2)C1 ZINC000089718319 395714434 /nfs/dbraw/zinc/71/44/34/395714434.db2.gz FCNBQMQJUFOJBZ-CYBMUJFWSA-N 0 1 319.369 0.093 50 0 DCAAMN COc1cccc(OCCNC(=O)CN2CCN(C)C[C@H]2C)c1 ZINC000089939029 395716996 /nfs/dbraw/zinc/71/69/96/395716996.db2.gz SOBSLUJGUHZZBX-CQSZACIVSA-N 0 1 321.421 0.826 50 0 DCAAMN CN(Cc1noc(C2CC2)n1)[C@H]1CCN(CCn2cncn2)C1 ZINC000095402313 395740591 /nfs/dbraw/zinc/74/05/91/395740591.db2.gz YSOVKLSZSDBBQA-ZDUSSCGKSA-N 0 1 317.397 0.745 50 0 DCAAMN CCCN1C(=O)N[C@@H](CC(=O)N2CCc3nc[nH]c3C2)C1=O ZINC000096138129 395745992 /nfs/dbraw/zinc/74/59/92/395745992.db2.gz BSECNOSQYGLRNW-JTQLQIEISA-N 0 1 305.338 0.015 50 0 DCAAMN O=C(NCc1cc2n(n1)CCNC2)[C@H]1COc2ccccc2C1 ZINC000097515042 395758594 /nfs/dbraw/zinc/75/85/94/395758594.db2.gz NIRDSVUCKKGJOE-CYBMUJFWSA-N 0 1 312.373 0.854 50 0 DCAAMN CC(C)(C)c1cc(CN2CCCN([C@H]3COC[C@@H]3O)CC2)[nH]n1 ZINC000097578689 395759194 /nfs/dbraw/zinc/75/91/94/395759194.db2.gz FRBJTNVWDRMYIO-GJZGRUSLSA-N 0 1 322.453 0.975 50 0 DCAAMN Cc1ccn(CCNc2c(=O)c(=O)c2NCCCN(C)C)n1 ZINC000101683386 395766676 /nfs/dbraw/zinc/76/66/76/395766676.db2.gz YIXCNMVOSHHZFG-UHFFFAOYSA-N 0 1 305.382 0.263 50 0 DCAAMN CN1C[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)CC1=O ZINC000048483397 395816451 /nfs/dbraw/zinc/81/64/51/395816451.db2.gz BIIPTWKEPNSSBM-CQSZACIVSA-N 0 1 309.410 0.036 50 0 DCAAMN COc1ccc(C(=O)NCCSc2cn[nH]n2)c(OC)n1 ZINC000219314725 395845537 /nfs/dbraw/zinc/84/55/37/395845537.db2.gz XSUZEBOCZRCERP-UHFFFAOYSA-N 0 1 309.351 0.739 50 0 DCAAMN CC(C)CN1CCN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1CCO ZINC000222867645 395853493 /nfs/dbraw/zinc/85/34/93/395853493.db2.gz VIPRLCZDHDWQIA-ZDUSSCGKSA-N 0 1 307.394 0.540 50 0 DCAAMN C[N@H+](Cc1cc(Cl)ccc1OCC(=O)[O-])[C@H]1COC[C@@H]1O ZINC000243892985 395924762 /nfs/dbraw/zinc/92/47/62/395924762.db2.gz ANEFJWMDUFHVCI-RYUDHWBXSA-N 0 1 315.753 0.995 50 0 DCAAMN C[N@@H+](Cc1cc(Cl)ccc1OCC(=O)[O-])[C@H]1COC[C@@H]1O ZINC000243892985 395924765 /nfs/dbraw/zinc/92/47/65/395924765.db2.gz ANEFJWMDUFHVCI-RYUDHWBXSA-N 0 1 315.753 0.995 50 0 DCAAMN C[C@@H]1CCCN(C(=O)CN2CCC(c3nc(=N)n(C)[nH]3)CC2)C1 ZINC000225519442 395861560 /nfs/dbraw/zinc/86/15/60/395861560.db2.gz OFJBSEPWAVFBHE-GFCCVEGCSA-N 0 1 320.441 0.666 50 0 DCAAMN COCCOc1cccc(CNC[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000225567148 395862346 /nfs/dbraw/zinc/86/23/46/395862346.db2.gz WTXVCYCRZCTPJM-ZDUSSCGKSA-N 0 1 307.350 0.432 50 0 DCAAMN CC(C)(C)OC(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1 ZINC000057530730 395945785 /nfs/dbraw/zinc/94/57/85/395945785.db2.gz WNOAKGNKDRSMCI-UHFFFAOYSA-N 0 1 309.370 0.846 50 0 DCAAMN COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CCOC3)C2)cc1 ZINC000137524538 395950732 /nfs/dbraw/zinc/95/07/32/395950732.db2.gz IMMLVCSHAFEAAS-LLVKDONJSA-N 0 1 312.391 0.447 50 0 DCAAMN Cc1nc([C@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)n[nH]1 ZINC000246902937 395961086 /nfs/dbraw/zinc/96/10/86/395961086.db2.gz HUNMWYSYMHERBG-PSASIEDQSA-N 0 1 322.394 0.970 50 0 DCAAMN Nc1nc(N2CCN(Cc3cc(C4CC4)on3)CC2)cc(=O)[nH]1 ZINC000253537276 396030580 /nfs/dbraw/zinc/03/05/80/396030580.db2.gz ISTUHXYUEJOBHD-UHFFFAOYSA-N 0 1 316.365 0.952 50 0 DCAAMN CCOC(=O)c1cnn(CCN2CCC[C@@H]2C(=O)N(C)C)c1N ZINC000069701387 396087662 /nfs/dbraw/zinc/08/76/62/396087662.db2.gz KHZBWLURTWUDAL-GFCCVEGCSA-N 0 1 323.397 0.195 50 0 DCAAMN COCCN1CCN(Cc2cccc(OCC(N)=O)c2)CC1 ZINC000069841905 396092406 /nfs/dbraw/zinc/09/24/06/396092406.db2.gz OELYXVRCIWNQIF-UHFFFAOYSA-N 0 1 307.394 0.315 50 0 DCAAMN Cc1nn(C)c(C)c1CCC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000069876357 396093614 /nfs/dbraw/zinc/09/36/14/396093614.db2.gz KNKDBBDKNPIVEM-UHFFFAOYSA-N 0 1 322.453 0.885 50 0 DCAAMN Cc1cnn(C[C@@H]2CCCN2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000070040111 396098839 /nfs/dbraw/zinc/09/88/39/396098839.db2.gz WJLOTJXUAQECLP-ZDUSSCGKSA-N 0 1 317.393 0.254 50 0 DCAAMN CN(C[C@H](O)CO)C(=O)c1cc(COc2ccccc2F)n[nH]1 ZINC000071575667 396114544 /nfs/dbraw/zinc/11/45/44/396114544.db2.gz NWPGQGGOFYRDDT-NSHDSACASA-N 0 1 323.324 0.553 50 0 DCAAMN O=C(CN1CCN(CCc2cccs2)CC1)N1CCNC1=O ZINC000071824836 396117049 /nfs/dbraw/zinc/11/70/49/396117049.db2.gz GHDICFPAOLUXDR-UHFFFAOYSA-N 0 1 322.434 0.460 50 0 DCAAMN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)N1CCOCC1 ZINC000071880506 396122701 /nfs/dbraw/zinc/12/27/01/396122701.db2.gz NKYWBHUHENTBKI-GJZGRUSLSA-N 0 1 309.410 0.321 50 0 DCAAMN CCN1CCN(CC(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000073008711 396140759 /nfs/dbraw/zinc/14/07/59/396140759.db2.gz FZADJNAFBLJQPA-UHFFFAOYSA-N 0 1 324.469 0.579 50 0 DCAAMN CCOc1ccnc(N2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000069598932 396084668 /nfs/dbraw/zinc/08/46/68/396084668.db2.gz FESWLACGNQIMFU-UHFFFAOYSA-N 0 1 302.338 0.561 50 0 DCAAMN CCCc1nc([C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n[nH]1 ZINC000076045870 396192865 /nfs/dbraw/zinc/19/28/65/396192865.db2.gz VZQKFLDXVYUNHD-LBPRGKRZSA-N 0 1 318.381 0.633 50 0 DCAAMN CCCc1n[nH]c([C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n1 ZINC000076045870 396192866 /nfs/dbraw/zinc/19/28/66/396192866.db2.gz VZQKFLDXVYUNHD-LBPRGKRZSA-N 0 1 318.381 0.633 50 0 DCAAMN CCCn1nc2c(cc1=O)CN(CCN1CCCC1=O)CC2 ZINC000076064649 396195693 /nfs/dbraw/zinc/19/56/93/396195693.db2.gz MWVLNMDVUZLAKE-UHFFFAOYSA-N 0 1 304.394 0.634 50 0 DCAAMN O=C(NCCN1CC=CCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000280362166 396196015 /nfs/dbraw/zinc/19/60/15/396196015.db2.gz YEPUNYUTXWUXTF-NSHDSACASA-N 0 1 319.327 0.775 50 0 DCAAMN CN1CC[C@H]2CN(S(=O)(=O)c3ccc(NC(N)=O)cc3)C[C@H]21 ZINC000077469994 396223106 /nfs/dbraw/zinc/22/31/06/396223106.db2.gz BQEGHJNLGDPRSM-GXFFZTMASA-N 0 1 324.406 0.502 50 0 DCAAMN CC(=O)Nc1nc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cs1 ZINC000533572897 396607038 /nfs/dbraw/zinc/60/70/38/396607038.db2.gz YMEFQIYXLYFQIH-MRVPVSSYSA-N 0 1 321.366 0.634 50 0 DCAAMN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000584888996 396633273 /nfs/dbraw/zinc/63/32/73/396633273.db2.gz SZNBTDWAIACARQ-UHFFFAOYSA-N 0 1 318.337 0.263 50 0 DCAAMN O=C(NCc1cc(C2CC2)[nH]n1)[C@H]1CCCCn2nnnc21 ZINC000584892948 396634172 /nfs/dbraw/zinc/63/41/72/396634172.db2.gz WPIQGOJQCNKPEI-NSHDSACASA-N 0 1 301.354 0.858 50 0 DCAAMN O=C(c1cnn2c1CCC2)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000574195964 397244695 /nfs/dbraw/zinc/24/46/95/397244695.db2.gz LDHGBKFBMPQTET-UHFFFAOYSA-N 0 1 303.322 0.938 50 0 DCAAMN C[C@@H]1CCC[N@H+](Cc2c(C(=O)[O-])nnn2-c2nonc2N)C1 ZINC000005484081 415133362 /nfs/dbraw/zinc/13/33/62/415133362.db2.gz OUSXDWQQFWQIHN-SSDOTTSWSA-N 0 1 307.314 0.163 50 0 DCAAMN C[C@@H]1CCC[N@@H+](Cc2c(C(=O)[O-])nnn2-c2nonc2N)C1 ZINC000005484081 415133367 /nfs/dbraw/zinc/13/33/67/415133367.db2.gz OUSXDWQQFWQIHN-SSDOTTSWSA-N 0 1 307.314 0.163 50 0 DCAAMN CN(C)CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708363 415139765 /nfs/dbraw/zinc/13/97/65/415139765.db2.gz OXDVREJIQGDYFX-UHFFFAOYSA-N 0 1 311.407 0.653 50 0 DCAAMN CCC(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1 ZINC000009620710 415144727 /nfs/dbraw/zinc/14/47/27/415144727.db2.gz WLTLKZJWJCOSGC-UHFFFAOYSA-N 0 1 319.409 0.680 50 0 DCAAMN CN1CCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CC1 ZINC000048303028 415291442 /nfs/dbraw/zinc/29/14/42/415291442.db2.gz XLLBPRITIQLDBH-UHFFFAOYSA-N 0 1 315.381 0.878 50 0 DCAAMN O=C(NCCSc1cn[nH]n1)c1ccc2c(c1)no[n+]2[O-] ZINC000067674057 415377659 /nfs/dbraw/zinc/37/76/59/415377659.db2.gz ZHXSLRMYJWMLDR-UHFFFAOYSA-N 0 1 306.307 0.101 50 0 DCAAMN Cc1nc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)oc1C ZINC000095954414 415564914 /nfs/dbraw/zinc/56/49/14/415564914.db2.gz CMQBOTNXUUZLLW-UHFFFAOYSA-N 0 1 315.337 0.710 50 0 DCAAMN CC[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)CCN1C[C@H](C)O ZINC000106868216 415651053 /nfs/dbraw/zinc/65/10/53/415651053.db2.gz IMJJBLQJFNYULN-UONOGXRCSA-N 0 1 323.441 0.444 50 0 DCAAMN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000106758664 415643543 /nfs/dbraw/zinc/64/35/43/415643543.db2.gz JGCBMWVWAAZEQD-TUAOUCFPSA-N 0 1 312.414 0.587 50 0 DCAAMN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000106758658 415644180 /nfs/dbraw/zinc/64/41/80/415644180.db2.gz JGCBMWVWAAZEQD-QJPTWQEYSA-N 0 1 312.414 0.587 50 0 DCAAMN Cc1nc([C@@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)n[nH]1 ZINC000107054906 415659230 /nfs/dbraw/zinc/65/92/30/415659230.db2.gz HUNMWYSYMHERBG-SCZZXKLOSA-N 0 1 322.394 0.970 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000125134929 415857952 /nfs/dbraw/zinc/85/79/52/415857952.db2.gz UCEBXHKXPDVWKJ-SNVBAGLBSA-N 0 1 316.810 0.934 50 0 DCAAMN CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)[nH]n1)C2 ZINC000299793049 416068583 /nfs/dbraw/zinc/06/85/83/416068583.db2.gz IECLOWBPKOFAEQ-UHFFFAOYSA-N 0 1 302.382 0.957 50 0 DCAAMN Cc1cnn(CCC[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)c1 ZINC000299792882 416068832 /nfs/dbraw/zinc/06/88/32/416068832.db2.gz HCBNBZGXXJTJRI-QWHCGFSZSA-N 0 1 318.381 0.890 50 0 DCAAMN Cc1cnn(CCC[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3c[nH]nn3)C2)c1 ZINC000299792882 416068835 /nfs/dbraw/zinc/06/88/35/416068835.db2.gz HCBNBZGXXJTJRI-QWHCGFSZSA-N 0 1 318.381 0.890 50 0 DCAAMN Cc1cnn(CCC[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3c[nH]nn3)C2)c1 ZINC000299792882 416068842 /nfs/dbraw/zinc/06/88/42/416068842.db2.gz HCBNBZGXXJTJRI-QWHCGFSZSA-N 0 1 318.381 0.890 50 0 DCAAMN Cc1cnn(CCC[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3cnn[nH]3)C2)c1 ZINC000299792882 416068845 /nfs/dbraw/zinc/06/88/45/416068845.db2.gz HCBNBZGXXJTJRI-QWHCGFSZSA-N 0 1 318.381 0.890 50 0 DCAAMN Cc1cnn(CCC[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3cnn[nH]3)C2)c1 ZINC000299792882 416068849 /nfs/dbraw/zinc/06/88/49/416068849.db2.gz HCBNBZGXXJTJRI-QWHCGFSZSA-N 0 1 318.381 0.890 50 0 DCAAMN CN1CCN([C@@H]2CCN(C(=O)CCCn3cccn3)C2)CC1 ZINC000299787549 416070271 /nfs/dbraw/zinc/07/02/71/416070271.db2.gz OZFQJXTVSZIRSN-OAHLLOKOSA-N 0 1 305.426 0.512 50 0 DCAAMN CC(C)OC[C@H](O)CN1CCC[C@H]1C(=O)N1CCSCC1 ZINC000239667440 416329989 /nfs/dbraw/zinc/32/99/89/416329989.db2.gz BQCJWKCOLZDTKG-KGLIPLIRSA-N 0 1 316.467 0.812 50 0 DCAAMN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2nc[nH]n2)C1 ZINC000242263412 416330588 /nfs/dbraw/zinc/33/05/88/416330588.db2.gz XYYAPJPLRSYHHF-MXWKQRLJSA-N 0 1 307.354 0.645 50 0 DCAAMN C[N@H+]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1C(=O)[O-] ZINC000244708296 416330749 /nfs/dbraw/zinc/33/07/49/416330749.db2.gz KRENWRXFINMARJ-AWEZNQCLSA-N 0 1 313.361 0.739 50 0 DCAAMN 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/nfs/dbraw/zinc/30/26/01/546302601.db2.gz PVUSJNPMQNEAEH-UHFFFAOYSA-N 0 1 303.362 0.693 50 0 DCAAMN CN(C)[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1n1ccnn1 ZINC000685940138 548746006 /nfs/dbraw/zinc/74/60/06/548746006.db2.gz WWCPKQSGQIGTOH-NEPJUHHUSA-N 0 1 308.773 0.887 50 0 DCAAMN COc1cccc(OCCN2CCN3CCOC[C@]3(CO)C2)c1 ZINC000952991608 685602577 /nfs/dbraw/zinc/60/25/77/685602577.db2.gz BQTICPXHBRKTLY-QGZVFWFLSA-N 0 1 322.405 0.453 50 0 DCAAMN CCCn1ccnc1CNC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000952989146 685602992 /nfs/dbraw/zinc/60/29/92/685602992.db2.gz VGPHPWNPYXSJEA-LBPRGKRZSA-N 0 1 307.398 0.107 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(C)nc3)C[C@H]2O)n[nH]1 ZINC001704278285 1179958219 /nfs/dbraw/zinc/95/82/19/1179958219.db2.gz OSDAUXSRBUFINM-BXUZGUMPSA-N 0 1 301.350 0.492 50 0 DCAAMN CN(C)c1nccnc1NCC1(CN2CCN(C)CC2)CC1 ZINC001704296982 1179964221 /nfs/dbraw/zinc/96/42/21/1179964221.db2.gz BBAMPBSVKSQICR-UHFFFAOYSA-N 0 1 304.442 0.982 50 0 DCAAMN CN1C[C@H]2COC[C@@H]1CN(C(=O)COc1cccc(F)c1)C2 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ZINC000091289339 193031685 /nfs/dbraw/zinc/03/16/85/193031685.db2.gz ZSGRUWRXPFKVSN-UHFFFAOYSA-N 0 1 313.317 0.893 50 0 DCAAMN NC(=O)C1CCN(CC(=O)N2CCC[C@H]2c2ccccn2)CC1 ZINC000091486581 193063127 /nfs/dbraw/zinc/06/31/27/193063127.db2.gz RXEOJOCHBVZUST-HNNXBMFYSA-N 0 1 316.405 0.942 50 0 DCAAMN Cc1cccnc1N1CCN(C(=O)C[C@H]2COCCN2)CC1 ZINC000091693877 193093281 /nfs/dbraw/zinc/09/32/81/193093281.db2.gz IXHKCGFCSOZYSX-AWEZNQCLSA-N 0 1 304.394 0.417 50 0 DCAAMN CC(C)[C@H]1C[N@@H+](CC(=O)[O-])C[C@@H]1NC(=O)Cc1cccnc1 ZINC000091713761 193095860 /nfs/dbraw/zinc/09/58/60/193095860.db2.gz FGLBXPOJXYFENS-KGLIPLIRSA-N 0 1 305.378 0.781 50 0 DCAAMN CCN1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000019790830 182149456 /nfs/dbraw/zinc/14/94/56/182149456.db2.gz MWHAVCWXXNMAKZ-ZDUSSCGKSA-N 0 1 308.378 0.793 50 0 DCAAMN COCCNS(=O)(=O)c1c(C)nc2sc(C)cn2c1=O ZINC000020921999 182253658 /nfs/dbraw/zinc/25/36/58/182253658.db2.gz YMGFNLUPTYVNNB-UHFFFAOYSA-N 0 1 317.392 0.298 50 0 DCAAMN CCNC(=O)[C@@H]1CCCN(c2nc3[nH]cnc(=O)c3s2)C1 ZINC000040478779 183075767 /nfs/dbraw/zinc/07/57/67/183075767.db2.gz MEFWNRKXMIKBKM-MRVPVSSYSA-N 0 1 307.379 0.732 50 0 DCAAMN CC(C)N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000045522324 183513592 /nfs/dbraw/zinc/51/35/92/183513592.db2.gz QZTUPZFOXCBCKN-UHFFFAOYSA-N 0 1 303.366 0.049 50 0 DCAAMN Cc1cc(C(=O)N2CCNC[C@@H]2C)cc(S(N)(=O)=O)c1C ZINC000126202952 291709124 /nfs/dbraw/zinc/70/91/24/291709124.db2.gz XPBICALHDYTHOX-JTQLQIEISA-N 0 1 311.407 0.385 50 0 DCAAMN CN1C[C@H](NC(=O)c2cccc(Cn3cccn3)c2)C[C@H]1CO ZINC000065405176 184338217 /nfs/dbraw/zinc/33/82/17/184338217.db2.gz JXTSIJSUSHIACZ-CVEARBPZSA-N 0 1 314.389 0.726 50 0 DCAAMN O=C(CN1CCCC1)N1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000020994656 256528572 /nfs/dbraw/zinc/52/85/72/256528572.db2.gz AHHVBHBJCCDSPB-ZDUSSCGKSA-N 0 1 307.398 0.105 50 0 DCAAMN CC(=O)N[C@@H]1CCN(C(=O)NCCSc2nnc(C)[nH]2)C1 ZINC000426597178 257246230 /nfs/dbraw/zinc/24/62/30/257246230.db2.gz DZJKSZPOIDLOOB-SNVBAGLBSA-N 0 1 312.399 0.125 50 0 DCAAMN Cc1ccn2c(c1)nc(C(=O)NCCCc1nn[nH]n1)c2F ZINC000426494057 257248144 /nfs/dbraw/zinc/24/81/44/257248144.db2.gz MGIFWSWSPDIZQS-UHFFFAOYSA-N 0 1 303.301 0.658 50 0 DCAAMN CN(Cc1n[nH]c(=O)[n-]1)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000426431934 257250150 /nfs/dbraw/zinc/25/01/50/257250150.db2.gz NSDPQPBAIBIAHT-NWDGAFQWSA-N 0 1 322.413 0.916 50 0 DCAAMN Cc1[nH]nc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)c1Cl ZINC000426420770 257251919 /nfs/dbraw/zinc/25/19/19/257251919.db2.gz PTKKKNWEZPQNDC-UHFFFAOYSA-N 0 1 309.761 0.448 50 0 DCAAMN COCCNC(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069719812 184839821 /nfs/dbraw/zinc/83/98/21/184839821.db2.gz DEDZZBJGSKGAGP-MRXNPFEDSA-N 0 1 320.437 0.921 50 0 DCAAMN Cc1nc(C)n(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)n1 ZINC000120319604 132142850 /nfs/dbraw/zinc/14/28/50/132142850.db2.gz UHIMAMJIVWLTDX-CQSZACIVSA-N 0 1 309.414 0.368 50 0 DCAAMN O=C(NCCN1CCCCC1)C(=O)Nc1cccc2nonc21 ZINC000013736355 395688976 /nfs/dbraw/zinc/68/89/76/395688976.db2.gz MYGNRDHHLPVIFD-UHFFFAOYSA-N 0 1 317.349 0.763 50 0 DCAAMN COc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)c(OC)c1 ZINC000013725413 395689011 /nfs/dbraw/zinc/68/90/11/395689011.db2.gz YNHXGJGXESRQCA-JTQLQIEISA-N 0 1 317.305 0.817 50 0 DCAAMN CC(=O)N1CCC(C2CCN([C@H]3CC(=O)NC3=O)CC2)CC1 ZINC000015080463 395689717 /nfs/dbraw/zinc/68/97/17/395689717.db2.gz FSFYQQLRTKAODQ-AWEZNQCLSA-N 0 1 307.394 0.372 50 0 DCAAMN CCN1CCN(c2ncc(C(=O)N3CCOCC3)c(C)n2)CC1 ZINC000021035238 395691493 /nfs/dbraw/zinc/69/14/93/395691493.db2.gz QMJIYYHWWOIBIG-UHFFFAOYSA-N 0 1 319.409 0.399 50 0 DCAAMN Cc1cc([C@H]2CCCN(C(=O)CN3CSCC3=O)C2)n[nH]1 ZINC000089598990 395713385 /nfs/dbraw/zinc/71/33/85/395713385.db2.gz QUANCPOUKTWVQA-NSHDSACASA-N 0 1 308.407 0.957 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)c2nncn2C)C1 ZINC000089840199 395715807 /nfs/dbraw/zinc/71/58/07/395715807.db2.gz HTUXAQYNYFABCB-QWHCGFSZSA-N 0 1 324.429 0.532 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)CNC(=O)c2ccco2)C1 ZINC000028015587 395695622 /nfs/dbraw/zinc/69/56/22/395695622.db2.gz PDXWFJVDHKOLAM-CYBMUJFWSA-N 0 1 323.393 0.482 50 0 DCAAMN Cc1nc[nH]c1C[N@@H+]1C[C@H]2CN(C(=O)N(C)C)C[C@@]2(C(=O)[O-])C1 ZINC000096148850 395746339 /nfs/dbraw/zinc/74/63/39/395746339.db2.gz BBJBQZDUDSJCJS-NHYWBVRUSA-N 0 1 321.381 0.218 50 0 DCAAMN Cc1cnn(C[C@H]2CCCN2CC(=O)N2CCO[C@@H](C)C2)c1 ZINC000106784526 395783983 /nfs/dbraw/zinc/78/39/83/395783983.db2.gz RIKUNXFWGOREDD-LSDHHAIUSA-N 0 1 306.410 0.903 50 0 DCAAMN CC(=O)N1CCN([C@H]2CN(Cc3cnc(C)cn3)C[C@@H]2C)CC1 ZINC000107058349 395784806 /nfs/dbraw/zinc/78/48/06/395784806.db2.gz SBGNEVQJFNBQJB-GUYCJALGSA-N 0 1 317.437 0.769 50 0 DCAAMN CCN1CCC[C@@H]1CNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101687156 395766560 /nfs/dbraw/zinc/76/65/60/395766560.db2.gz ANERIDNGZRGAPZ-GFCCVEGCSA-N 0 1 308.426 0.542 50 0 DCAAMN CN(C)CCNc1c(=O)c(=O)c1NC[C@H](c1ccco1)N(C)C ZINC000101699467 395767269 /nfs/dbraw/zinc/76/72/69/395767269.db2.gz MXUGQAGBXQRHLP-LLVKDONJSA-N 0 1 320.393 0.564 50 0 DCAAMN COCCc1nc(CNc2cc(C3CC(O)C3)nc(N)n2)no1 ZINC000219894408 395846994 /nfs/dbraw/zinc/84/69/94/395846994.db2.gz XBGXOSYHYCKUOO-UHFFFAOYSA-N 0 1 320.353 0.481 50 0 DCAAMN CCOC(=O)CN(C)c1ncc(CN[C@@H](C)c2nnc[nH]2)cn1 ZINC000055370714 395918044 /nfs/dbraw/zinc/91/80/44/395918044.db2.gz XLTNURCHUVBFSM-JTQLQIEISA-N 0 1 319.369 0.445 50 0 DCAAMN Cc1csc2nc(CN3CCN(CCO)CC3)cc(=O)n12 ZINC000055422061 395918776 /nfs/dbraw/zinc/91/87/76/395918776.db2.gz NRFFZIRYXQMPAK-UHFFFAOYSA-N 0 1 308.407 0.174 50 0 DCAAMN CC(C)n1cnnc1CN(C)C(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000055414734 395918894 /nfs/dbraw/zinc/91/88/94/395918894.db2.gz ZHJAVTIJNQSVQR-GFCCVEGCSA-N 0 1 322.413 0.015 50 0 DCAAMN CC(C)CN1CCN(C(=O)c2cccc(=O)[nH]2)C[C@H]1CCO ZINC000230504422 395881862 /nfs/dbraw/zinc/88/18/62/395881862.db2.gz VIPRLCZDHDWQIA-CYBMUJFWSA-N 0 1 307.394 0.540 50 0 DCAAMN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN2CCC[C@H]2C1 ZINC000247658200 395977341 /nfs/dbraw/zinc/97/73/41/395977341.db2.gz ZDNLAUWNDSLFMC-LBPRGKRZSA-N 0 1 324.402 0.927 50 0 DCAAMN Cn1cccc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)c1=O ZINC000069696945 396087082 /nfs/dbraw/zinc/08/70/82/396087082.db2.gz DRPVPUBMGURQKT-CQSZACIVSA-N 0 1 321.421 0.550 50 0 DCAAMN C[C@@H]1CN(C(=O)CN2CCC[C@H](Cn3cncn3)C2)C[C@H](C)O1 ZINC000069815082 396090797 /nfs/dbraw/zinc/09/07/97/396090797.db2.gz LNZZAZUYWLYDNH-ZNMIVQPWSA-N 0 1 321.425 0.626 50 0 DCAAMN Cc1c(C(=O)Nc2nn[nH]n2)nnn1-c1ccccc1Cl ZINC000071803287 396115289 /nfs/dbraw/zinc/11/52/89/396115289.db2.gz ZKXCHLKEDWSWLR-UHFFFAOYSA-N 0 1 304.701 0.995 50 0 DCAAMN CCCc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)n[nH]1 ZINC000071821359 396116305 /nfs/dbraw/zinc/11/63/05/396116305.db2.gz FHMAXLSHTVVUHE-UHFFFAOYSA-N 0 1 305.382 0.992 50 0 DCAAMN C[C@H](O)CN1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000071877166 396121348 /nfs/dbraw/zinc/12/13/48/396121348.db2.gz OERKKAULKQRDJC-UONOGXRCSA-N 0 1 314.451 0.624 50 0 DCAAMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NC1CCOCC1 ZINC000071880483 396122252 /nfs/dbraw/zinc/12/22/52/396122252.db2.gz NTHZKDRBNCSZFR-CVEARBPZSA-N 0 1 323.437 0.757 50 0 DCAAMN CC(=O)N1CCC(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000076048413 396193595 /nfs/dbraw/zinc/19/35/95/396193595.db2.gz PNEDSASPKBCAJK-CQSZACIVSA-N 0 1 307.398 0.745 50 0 DCAAMN CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n1 ZINC000078888972 396255784 /nfs/dbraw/zinc/25/57/84/396255784.db2.gz IYAMPXPNEZWRGJ-UWVGGRQHSA-N 0 1 307.354 0.107 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n[nH]1 ZINC000078888972 396255788 /nfs/dbraw/zinc/25/57/88/396255788.db2.gz IYAMPXPNEZWRGJ-UWVGGRQHSA-N 0 1 307.354 0.107 50 0 DCAAMN Cc1nsc(N2CCN(c3ncnc4[nH]cnc43)CC2)n1 ZINC000079017181 396260234 /nfs/dbraw/zinc/26/02/34/396260234.db2.gz TUCIFQOZMIOCBV-UHFFFAOYSA-N 0 1 302.367 0.839 50 0 DCAAMN NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000269733897 396440715 /nfs/dbraw/zinc/44/07/15/396440715.db2.gz XHPVPSYUJOSEOJ-VIFPVBQESA-N 0 1 316.354 0.672 50 0 DCAAMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cncc(=O)[nH]1 ZINC000584884798 396632191 /nfs/dbraw/zinc/63/21/91/396632191.db2.gz XHHYZCQUPVNETC-UHFFFAOYSA-N 0 1 313.361 0.559 50 0 DCAAMN CC(=O)Nc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([O-])c1 ZINC000584898255 396635787 /nfs/dbraw/zinc/63/57/87/396635787.db2.gz XGBURKFTFOOXNK-JSGCOSHPSA-N 0 1 307.350 0.098 50 0 DCAAMN O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCn2cccn2)[N@@H+]1C1CC1 ZINC000630657885 397072719 /nfs/dbraw/zinc/07/27/19/397072719.db2.gz WINYRIUTFMFYHE-QWHCGFSZSA-N 0 1 306.366 0.469 50 0 DCAAMN O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCn2cccn2)[N@H+]1C1CC1 ZINC000630657885 397072725 /nfs/dbraw/zinc/07/27/25/397072725.db2.gz WINYRIUTFMFYHE-QWHCGFSZSA-N 0 1 306.366 0.469 50 0 DCAAMN CCc1nnc2ccc(N3CCN(CCOC)[C@@H](C)C3)nn21 ZINC000246246177 287079942 /nfs/dbraw/zinc/07/99/42/287079942.db2.gz SDQSGUSICWPFJU-LBPRGKRZSA-N 0 1 304.398 0.844 50 0 DCAAMN Cn1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000020412348 415156042 /nfs/dbraw/zinc/15/60/42/415156042.db2.gz WXNNBDUPPXJWHN-ZDUSSCGKSA-N 0 1 312.329 0.496 50 0 biogenic DCAAMN COCCCNC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060104 415145048 /nfs/dbraw/zinc/14/50/48/415145048.db2.gz WQQGLUFDQBBGGS-UHFFFAOYSA-N 0 1 318.381 0.722 50 0 DCAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)CC)CC2)n1 ZINC000009620890 415145397 /nfs/dbraw/zinc/14/53/97/415145397.db2.gz ADQWXHOSFAZXIT-UHFFFAOYSA-N 0 1 313.427 0.689 50 0 DCAAMN Cc1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)n(C)n1 ZINC000043434045 415214979 /nfs/dbraw/zinc/21/49/79/415214979.db2.gz JKTGOYYATRHZFR-UHFFFAOYSA-N 0 1 308.430 0.876 50 0 DCAAMN CN1CC[C@](O)(CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000332132193 415261456 /nfs/dbraw/zinc/26/14/56/415261456.db2.gz JVBMQRFEQWDQEO-INIZCTEOSA-N 0 1 324.446 0.910 50 0 DCAAMN NC(=O)NCCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000044870646 415228149 /nfs/dbraw/zinc/22/81/49/415228149.db2.gz MTXBZMNJTSXDGL-GFCCVEGCSA-N 0 1 308.382 0.981 50 0 DCAAMN CNC(=O)c1ccc(N2CCN(C[C@H]3CCCO3)CC2)nc1 ZINC000044907897 415230163 /nfs/dbraw/zinc/23/01/63/415230163.db2.gz ZFBHULSQNNDFRS-CQSZACIVSA-N 0 1 304.394 0.742 50 0 DCAAMN C[N@H+]1CCCN(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000092065479 415539961 /nfs/dbraw/zinc/53/99/61/415539961.db2.gz YHJWDNUOSODGES-UONOGXRCSA-N 0 1 309.410 0.193 50 0 DCAAMN CC[C@@H]1CN(CC(=O)NCc2ccccn2)CCN1C[C@H](C)O ZINC000106929224 415657884 /nfs/dbraw/zinc/65/78/84/415657884.db2.gz YJUXBNNVRDQYIJ-GOEBONIOSA-N 0 1 320.437 0.475 50 0 DCAAMN CCCc1cc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)n[nH]1 ZINC000299786792 416068969 /nfs/dbraw/zinc/06/89/69/416068969.db2.gz POJKSACEKBPALP-KBPBESRZSA-N 0 1 316.365 0.940 50 0 DCAAMN Cc1n[nH]cc1CNC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000298662824 416021514 /nfs/dbraw/zinc/02/15/14/416021514.db2.gz CZFJVLAVNPVDOX-UHFFFAOYSA-N 0 1 321.425 0.972 50 0 DCAAMN C[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccco2)C[C@H]1C ZINC000247058627 416332664 /nfs/dbraw/zinc/33/26/64/416332664.db2.gz FUTGUFYFYRNJHP-KGLIPLIRSA-N 0 1 309.410 0.625 50 0 DCAAMN Cc1ccccc1CNC(=O)CN1CCC[C@@](O)(CO)CC1 ZINC000244723884 416330705 /nfs/dbraw/zinc/33/07/05/416330705.db2.gz MJIRYXXGJLVDCX-KRWDZBQOSA-N 0 1 306.406 0.821 50 0 DCAAMN Cc1nc(CCN(C)C(=O)CC[C@@H](C)N2CCOCC2)no1 ZINC000244691008 416330934 /nfs/dbraw/zinc/33/09/34/416330934.db2.gz JAYXFITZFXQWCG-GFCCVEGCSA-N 0 1 310.398 0.880 50 0 DCAAMN COc1cncc([C@@H](NC(=O)c2ncn[nH]2)[C@H]2C[C@H](O)C2)c1 ZINC000244795238 416331182 /nfs/dbraw/zinc/33/11/82/416331182.db2.gz RCBMWRXDNJJYCC-PEXQALLHSA-N 0 1 303.322 0.450 50 0 DCAAMN COc1cncc([C@@H](NC(=O)c2nc[nH]n2)[C@H]2C[C@H](O)C2)c1 ZINC000244795238 416331183 /nfs/dbraw/zinc/33/11/83/416331183.db2.gz RCBMWRXDNJJYCC-PEXQALLHSA-N 0 1 303.322 0.450 50 0 DCAAMN CN(C)[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)C[C@@H]1O ZINC000647886040 418069984 /nfs/dbraw/zinc/06/99/84/418069984.db2.gz BBIFFWDPMNUGBY-QWRGUYRKSA-N 0 1 306.334 0.260 50 0 DCAAMN C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1ncnc3nc[nH]c31)CC2 ZINC000072164070 277022918 /nfs/dbraw/zinc/02/29/18/277022918.db2.gz AFAKDQHFWBXJAC-SNVBAGLBSA-N 0 1 316.365 0.728 50 0 DCAAMN C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1ncnc3[nH]cnc31)CC2 ZINC000072164070 277022925 /nfs/dbraw/zinc/02/29/25/277022925.db2.gz AFAKDQHFWBXJAC-SNVBAGLBSA-N 0 1 316.365 0.728 50 0 DCAAMN C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1ncnc3[nH]cnc31)CC2 ZINC000072164070 277022926 /nfs/dbraw/zinc/02/29/26/277022926.db2.gz AFAKDQHFWBXJAC-SNVBAGLBSA-N 0 1 316.365 0.728 50 0 DCAAMN CN1CC[C@@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@H]2C1 ZINC000285645314 277152733 /nfs/dbraw/zinc/15/27/33/277152733.db2.gz FPOHVOXPVDCJRJ-RYUDHWBXSA-N 0 1 314.336 0.693 50 0 DCAAMN CN(C)C1CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)C1 ZINC000241338697 289071509 /nfs/dbraw/zinc/07/15/09/289071509.db2.gz MDBQERPSPUQYSY-CABCVRRESA-N 0 1 321.421 0.200 50 0 DCAAMN Cc1ccnn1CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 ZINC000534579715 334289025 /nfs/dbraw/zinc/28/90/25/334289025.db2.gz DCJVDACOMOSREZ-GJZGRUSLSA-N 0 1 306.410 0.951 50 0 DCAAMN CCCc1ncncc1C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000670441989 547092159 /nfs/dbraw/zinc/09/21/59/547092159.db2.gz KYJIEZQMACTVDF-UHFFFAOYSA-N 0 1 315.381 0.505 50 0 DCAAMN CCNC(=O)[C@@H]1CCN(c2cc(C)nc(N3CCOCC3)n2)C1 ZINC000670453210 547096630 /nfs/dbraw/zinc/09/66/30/547096630.db2.gz DDWRFJSDSMHOEB-CYBMUJFWSA-N 0 1 319.409 0.584 50 0 DCAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000670452048 547096740 /nfs/dbraw/zinc/09/67/40/547096740.db2.gz GVAKIMFRBSHIMT-GFCCVEGCSA-N 0 1 308.382 0.652 50 0 DCAAMN O=C([O-])c1n[nH]cc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670452048 547096742 /nfs/dbraw/zinc/09/67/42/547096742.db2.gz GVAKIMFRBSHIMT-GFCCVEGCSA-N 0 1 308.382 0.652 50 0 DCAAMN Cc1nccn1CCC[N@H+]1C[C@H](C(=O)N(C)C)CC[C@@H]1C(=O)[O-] ZINC000685940323 548746017 /nfs/dbraw/zinc/74/60/17/548746017.db2.gz DPZLZASZQPEREO-ZIAGYGMSSA-N 0 1 322.409 0.835 50 0 DCAAMN Cn1ccn2ncc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)c12 ZINC000426380409 661561216 /nfs/dbraw/zinc/56/12/16/661561216.db2.gz MITJXCATJFAGBY-KBPBESRZSA-N 0 1 317.393 0.656 50 0 DCAAMN C[C@H](CS(=O)(=O)N(C)C)N[C@H]1CCCc2c1cnn2C ZINC000952992393 685602852 /nfs/dbraw/zinc/60/28/52/685602852.db2.gz 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O=C([O-])CN1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071753619 191023344 /nfs/dbraw/zinc/02/33/44/191023344.db2.gz HMUQJQZMWIOTET-GFCCVEGCSA-N 0 1 309.410 0.526 50 0 DCAAMN O=C(C[C@@H]1COCCN1)N1CCC(Nc2ccccn2)CC1 ZINC000072161580 191061861 /nfs/dbraw/zinc/06/18/61/191061861.db2.gz RXSNAKUBBWWWKQ-CQSZACIVSA-N 0 1 304.394 0.863 50 0 DCAAMN O=C(C[C@@H]1COCCN1)Nc1cccc(N2CCOC2=O)c1 ZINC000072152310 191057015 /nfs/dbraw/zinc/05/70/15/191057015.db2.gz WOAFPVPUXXMMII-GFCCVEGCSA-N 0 1 305.334 0.960 50 0 DCAAMN C[N@H+](Cc1cc2n(n1)CCC[NH2+]C2)CC1(CO)CCOCC1 ZINC000072167184 191066416 /nfs/dbraw/zinc/06/64/16/191066416.db2.gz LMSYUFRLUHHVNC-UHFFFAOYSA-N 0 1 308.426 0.597 50 0 DCAAMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000072282373 191102399 /nfs/dbraw/zinc/10/23/99/191102399.db2.gz CXARFAHOHLXJRA-DGCLKSJQSA-N 0 1 323.418 0.643 50 0 DCAAMN O=C([O-])[C@@]12CN(CC3CC3)C(=O)[C@@H]1C[N@@H+](Cc1ncc[nH]1)C2 ZINC000072407343 191152987 /nfs/dbraw/zinc/15/29/87/191152987.db2.gz 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/nfs/dbraw/zinc/10/94/32/193109432.db2.gz DRPUUFRUKLTMEB-UHFFFAOYSA-N 0 1 320.393 0.176 50 0 DCAAMN O=c1cc(CN2CCN(CCO)CC2)c2cc(O)ccc2o1 ZINC000022933395 182342166 /nfs/dbraw/zinc/34/21/66/182342166.db2.gz ZROXUPQLPJRIJL-UHFFFAOYSA-N 0 1 304.346 0.609 50 0 DCAAMN Cc1ccc(SCCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000023624164 182364755 /nfs/dbraw/zinc/36/47/55/182364755.db2.gz PRJIALPVMFQWQR-CHWSQXEVSA-N 0 1 301.433 0.835 50 0 DCAAMN O=C(NCc1ccc(F)cc1)c1n[nH]c2c1CS(=O)(=O)CC2 ZINC000041120950 183167525 /nfs/dbraw/zinc/16/75/25/183167525.db2.gz GVSNWSLSYVPMQZ-UHFFFAOYSA-N 0 1 323.349 0.950 50 0 DCAAMN CS(=O)(=O)N1CCC(NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000065593281 184370360 /nfs/dbraw/zinc/37/03/60/184370360.db2.gz SZMBUDSICMSQII-UHFFFAOYSA-N 0 1 322.390 0.717 50 0 DCAAMN CCc1nccc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)n1 ZINC000216487019 257273744 /nfs/dbraw/zinc/27/37/44/257273744.db2.gz YUOYSCHMXNTCQU-UHFFFAOYSA-N 0 1 316.409 0.421 50 0 DCAAMN Cc1[nH]nc(CCC(=O)N2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)c1C 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CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000029201450 395697121 /nfs/dbraw/zinc/69/71/21/395697121.db2.gz DAZAXQHFINJUNW-SNVBAGLBSA-N 0 1 312.395 0.441 50 0 DCAAMN CCCc1nc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n[nH]1 ZINC000084759017 395698810 /nfs/dbraw/zinc/69/88/10/395698810.db2.gz IBMHEWLVDMPZFY-NSHDSACASA-N 0 1 318.385 0.652 50 0 DCAAMN CCCc1n[nH]c([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000084759017 395698812 /nfs/dbraw/zinc/69/88/12/395698812.db2.gz IBMHEWLVDMPZFY-NSHDSACASA-N 0 1 318.385 0.652 50 0 DCAAMN CCN1C(=O)N[C@](C)([C@@H]2CCCN(CC(=O)NC3CC3)C2)C1=O ZINC000095402594 395740279 /nfs/dbraw/zinc/74/02/79/395740279.db2.gz JYWZEECPYZPRSG-BDJLRTHQSA-N 0 1 322.409 0.307 50 0 DCAAMN CC(C)OCCN1CCN(c2ncnc3c2cnn3C)CC1 ZINC000040488139 395734291 /nfs/dbraw/zinc/73/42/91/395734291.db2.gz FLEDYYXXWLOWDG-UHFFFAOYSA-N 0 1 304.398 0.910 50 0 DCAAMN CN(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cncs3)C[C@]2(C(=O)[O-])C1 ZINC000096136383 395745688 /nfs/dbraw/zinc/74/56/88/395745688.db2.gz 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50 0 DCAAMN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1nnc2ccccc2c1O ZINC000152456465 186075240 /nfs/dbraw/zinc/07/52/40/186075240.db2.gz KDIMQSOJEDWPCE-MNOVXSKESA-N 0 1 315.329 0.995 50 0 DCAAMN Cc1cccnc1CN1CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC000072432111 191163905 /nfs/dbraw/zinc/16/39/05/191163905.db2.gz LWSYJYYOXKRKLI-OAHLLOKOSA-N 0 1 304.394 0.023 50 0 DCAAMN Nc1nc(CCCNC(=O)[C@@H]2NCCc3[nH]cnc32)cs1 ZINC000072476889 191178821 /nfs/dbraw/zinc/17/88/21/191178821.db2.gz VQPMGCJGWLMXSE-LLVKDONJSA-N 0 1 306.395 0.384 50 0 DCAAMN CC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 ZINC000091547688 193071696 /nfs/dbraw/zinc/07/16/96/193071696.db2.gz ZXTXWTXMUXZMKP-UHFFFAOYSA-N 0 1 320.441 0.288 50 0 DCAAMN CCc1nc(C)sc1CNC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000091562969 193073494 /nfs/dbraw/zinc/07/34/94/193073494.db2.gz UJRWROFEDAUCMC-NSHDSACASA-N 0 1 324.450 0.827 50 0 DCAAMN O=C([O-])[C@@]12CN(c3cnccn3)C[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091657003 304169243 /nfs/dbraw/zinc/16/92/43/304169243.db2.gz 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/nfs/dbraw/zinc/35/21/91/184352191.db2.gz LERBSPISMPBTKG-UHFFFAOYSA-N 0 1 306.366 0.491 50 0 DCAAMN COc1ccc(-n2c(CN3CCN(C)CC3)n[nH]c2=O)c(C)c1 ZINC000065397496 184335991 /nfs/dbraw/zinc/33/59/91/184335991.db2.gz JCMACMTUDQCHOX-UHFFFAOYSA-N 0 1 317.393 0.625 50 0 DCAAMN O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119890411 195057142 /nfs/dbraw/zinc/05/71/42/195057142.db2.gz QUFFEWBLDLLWIN-CYBMUJFWSA-N 0 1 315.377 0.769 50 0 DCAAMN [NH3+]CCCOc1ccc(C(=O)NCCc2nn[n-]n2)cc1Cl ZINC000426727560 257243536 /nfs/dbraw/zinc/24/35/36/257243536.db2.gz WQMZMOFYCIAMES-UHFFFAOYSA-N 0 1 324.772 0.553 50 0 DCAAMN CCc1nc(CN2CCn3nc(CNC(C)=O)cc3C2)n[nH]1 ZINC000426647903 257244960 /nfs/dbraw/zinc/24/49/60/257244960.db2.gz JSHJBSBJEOEQIE-UHFFFAOYSA-N 0 1 303.370 0.216 50 0 DCAAMN O=C(Cc1n[nH]c(=O)[n-]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426618417 257245208 /nfs/dbraw/zinc/24/52/08/257245208.db2.gz WGFZDOUYDCDPQS-LBPRGKRZSA-N 0 1 301.350 0.444 50 0 DCAAMN C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CC[NH+](C)CC1 ZINC000426491073 257248588 /nfs/dbraw/zinc/24/85/88/257248588.db2.gz QBEXVIIKKWNRIU-CYBMUJFWSA-N 0 1 311.426 0.916 50 0 DCAAMN O=C([C@H]1CCC(=O)N1)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000426415261 257251820 /nfs/dbraw/zinc/25/18/20/257251820.db2.gz FFNUISYAOKDXTP-MRXNPFEDSA-N 0 1 313.401 0.577 50 0 DCAAMN C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3F)CN2C1=O ZINC000014538495 395689444 /nfs/dbraw/zinc/68/94/44/395689444.db2.gz IOCUCINPZSQZER-WLTAIBSBSA-N 0 1 309.316 0.542 50 0 DCAAMN Cc1cc(C)n2nc(S(=O)(=O)NC[C@H]3CCCO3)nc2n1 ZINC000015107998 395689802 /nfs/dbraw/zinc/68/98/02/395689802.db2.gz PLYSOFVUSXQBKT-SNVBAGLBSA-N 0 1 311.367 0.198 50 0 DCAAMN Nc1ncnc2[nH]c(SCC(=O)NCc3ccco3)nc21 ZINC000000029013 395679687 /nfs/dbraw/zinc/67/96/87/395679687.db2.gz XFKWLRUSFJCSSS-UHFFFAOYSA-N 0 1 304.335 0.937 50 0 DCAAMN c1ncn(CCN2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000089835004 395715967 /nfs/dbraw/zinc/71/59/67/395715967.db2.gz UWYDCLQLZWCBLW-IRXDYDNUSA-N 0 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/nfs/dbraw/zinc/10/20/31/191102031.db2.gz WGAMWMKEWXIOPE-CHWSQXEVSA-N 0 1 312.414 0.536 50 0 DCAAMN O=C([O-])[C@@]12CNC(=O)[C@@H]1C[N@@H+](Cc1ccc3nsnc3c1)C2 ZINC000072428128 191160988 /nfs/dbraw/zinc/16/09/88/191160988.db2.gz XHDWEHULBIUYFB-LKFCYVNXSA-N 0 1 318.358 0.324 50 0 DCAAMN Cc1cccn2c(CNC(=O)[C@H]3NCCc4[nH]cnc43)cnc12 ZINC000072453613 191171926 /nfs/dbraw/zinc/17/19/26/191171926.db2.gz PZENNNMXOUYVDW-AWEZNQCLSA-N 0 1 310.361 0.869 50 0 DCAAMN C[C@H]1CN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)C[C@H](C)O1 ZINC000004249745 181087806 /nfs/dbraw/zinc/08/78/06/181087806.db2.gz BWASVLGGYDPHQL-YUMQZZPRSA-N 0 1 323.378 0.374 50 0 DCAAMN NS(=O)(=O)c1ccc(CCNc2ncnc3[nH]cnc32)cc1 ZINC000004963925 181180438 /nfs/dbraw/zinc/18/04/38/181180438.db2.gz HNTKMTOFOQSLQA-UHFFFAOYSA-N 0 1 318.362 0.655 50 0 DCAAMN CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCN[C@H](C)C2)cc1 ZINC000237350443 202241845 /nfs/dbraw/zinc/24/18/45/202241845.db2.gz MMKZFBAOTNFHDB-FZKGZDJFSA-N 0 1 323.418 0.428 50 0 DCAAMN 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/nfs/dbraw/zinc/68/22/89/395682289.db2.gz ASQAJQLVQDLKAX-UHFFFAOYSA-N 0 1 323.320 0.604 50 0 DCAAMN O=C(CN1CCN(C[C@H](O)C2CC2)CC1)Nc1nccs1 ZINC000085436843 395700250 /nfs/dbraw/zinc/70/02/50/395700250.db2.gz LTSPRNCAMJCBFM-LBPRGKRZSA-N 0 1 310.423 0.470 50 0 DCAAMN CN(CC(=O)NCC(=O)NCc1ccco1)[C@@H]1CCSC1 ZINC000089337142 395709760 /nfs/dbraw/zinc/70/97/60/395709760.db2.gz ISAJKEZVXSBKIB-LLVKDONJSA-N 0 1 311.407 0.449 50 0 DCAAMN O=S(=O)(NCCN1CCCCC1)c1cccc2nonc21 ZINC000032578447 395711563 /nfs/dbraw/zinc/71/15/63/395711563.db2.gz XTRHWAPMMKKFKW-UHFFFAOYSA-N 0 1 310.379 0.987 50 0 DCAAMN Cc1nn(C)c(C)c1CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000089505724 395712608 /nfs/dbraw/zinc/71/26/08/395712608.db2.gz IEKSBWHLPOVXPY-CVEARBPZSA-N 0 1 320.437 0.637 50 0 DCAAMN COc1cc(CNCCS(C)(=O)=O)cc2c1OCCO2 ZINC000037741001 395729143 /nfs/dbraw/zinc/72/91/43/395729143.db2.gz GCJDWVAMPVTKTD-UHFFFAOYSA-N 0 1 301.364 0.601 50 0 DCAAMN Cc1ncc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1 ZINC000096153568 395746618 /nfs/dbraw/zinc/74/66/18/395746618.db2.gz YBAQBSXUPHXWLY-PHIMTYICSA-N 0 1 308.382 0.307 50 0 DCAAMN Cc1cc(C(=O)N2CCN(Cc3n[nH]c(C4CC4)n3)CC2)on1 ZINC000097373544 395757733 /nfs/dbraw/zinc/75/77/33/395757733.db2.gz ZZTINJJNKRABRZ-UHFFFAOYSA-N 0 1 316.365 0.937 50 0 DCAAMN Cc1ccnn1CCNc1c(=O)c(=O)c1NCCCN(C)C ZINC000101678360 395766591 /nfs/dbraw/zinc/76/65/91/395766591.db2.gz TUOFOWVGQBHSKF-UHFFFAOYSA-N 0 1 305.382 0.263 50 0 DCAAMN C[C@@H](O)c1cn(C2CCN(c3ncnc4[nH]cnc43)CC2)nn1 ZINC000048482782 395816396 /nfs/dbraw/zinc/81/63/96/395816396.db2.gz NGMTUVZKBBRCOV-SECBINFHSA-N 0 1 314.353 0.839 50 0 DCAAMN O=C([O-])C[N@@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@H](O)C1 ZINC000225324014 395858940 /nfs/dbraw/zinc/85/89/40/395858940.db2.gz XXFLGMLNZABPMD-AWEZNQCLSA-N 0 1 306.362 0.185 50 0 DCAAMN C[C@@H]1CN(C(=O)CN2CCC[C@@H](Cn3cncn3)C2)C[C@H](C)O1 ZINC000229476339 395874645 /nfs/dbraw/zinc/87/46/45/395874645.db2.gz LNZZAZUYWLYDNH-QLFBSQMISA-N 0 1 321.425 0.626 50 0 DCAAMN C[C@H](OC[C@H]1CCCCO1)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000229576712 395875547 /nfs/dbraw/zinc/87/55/47/395875547.db2.gz YKRYWBWQKKPVHX-RRFJBIMHSA-N 0 1 313.442 0.323 50 0 DCAAMN O=c1[nH]c2ccccc2c(=O)n1CCCCN1CCOCC1 ZINC000053086525 395876153 /nfs/dbraw/zinc/87/61/53/395876153.db2.gz QRGJKVKTVPOZIE-UHFFFAOYSA-N 0 1 303.362 0.802 50 0 DCAAMN NC(=O)c1cnc(N2C[C@@H](N3CCCC3)[C@@H](O)C2)c(Cl)c1 ZINC000230163733 395878575 /nfs/dbraw/zinc/87/85/75/395878575.db2.gz MNMNEPSEBHAWAO-NEPJUHHUSA-N 0 1 310.785 0.479 50 0 DCAAMN Cn1c(=O)c2ccc(C(=O)NCC3(CO)CC3)cc2[nH]c1=S ZINC000137075964 395950026 /nfs/dbraw/zinc/95/00/26/395950026.db2.gz YUFXLPCHFPNBIR-UHFFFAOYSA-N 0 1 319.386 0.725 50 0 DCAAMN CCc1nc(SCC(=O)NCCN2CCCOC2=O)n[nH]1 ZINC000252509075 396022632 /nfs/dbraw/zinc/02/26/32/396022632.db2.gz YCBTWZZQMXMQIG-UHFFFAOYSA-N 0 1 313.383 0.418 50 0 DCAAMN CCc1n[nH]c(SCC(=O)NCCN2CCCOC2=O)n1 ZINC000252509075 396022634 /nfs/dbraw/zinc/02/26/34/396022634.db2.gz YCBTWZZQMXMQIG-UHFFFAOYSA-N 0 1 313.383 0.418 50 0 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/nfs/dbraw/zinc/12/21/89/396122189.db2.gz WFRDOKNUESYDPS-HLLBOEOZSA-N 0 1 322.453 0.827 50 0 DCAAMN C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000075132002 396176878 /nfs/dbraw/zinc/17/68/78/396176878.db2.gz QCSLQIRTUHZUKY-CABCVRRESA-N 0 1 307.442 0.257 50 0 DCAAMN CC(=O)N1CCN([C@@H]2CN(Cc3cnc(C)cn3)C[C@H]2C)CC1 ZINC000076055847 396195128 /nfs/dbraw/zinc/19/51/28/396195128.db2.gz SBGNEVQJFNBQJB-CXAGYDPISA-N 0 1 317.437 0.769 50 0 DCAAMN O=C(NCCN1CC=CCC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000280362162 396196266 /nfs/dbraw/zinc/19/62/66/396196266.db2.gz YEPUNYUTXWUXTF-LLVKDONJSA-N 0 1 319.327 0.775 50 0 DCAAMN CC(C)c1nc(CN(C)[C@H]2CCN(CCn3cncn3)C2)no1 ZINC000078891745 396255877 /nfs/dbraw/zinc/25/58/77/396255877.db2.gz DNHUMBRFAMYQTI-ZDUSSCGKSA-N 0 1 319.413 0.991 50 0 DCAAMN CC(C)N1CCO[C@@H](CC(=O)NCCN2CCCCC2=O)C1 ZINC000584894685 396634498 /nfs/dbraw/zinc/63/44/98/396634498.db2.gz YHQZLYKWHKNMGL-AWEZNQCLSA-N 0 1 311.426 0.614 50 0 DCAAMN CN1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1 ZINC000004033631 415130474 /nfs/dbraw/zinc/13/04/74/415130474.db2.gz FESXEPQLEPYLGZ-UHFFFAOYSA-N 0 1 318.352 0.476 50 0 DCAAMN Cc1cnc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cn1 ZINC000042578935 415210881 /nfs/dbraw/zinc/21/08/81/415210881.db2.gz BUXKPDFVPRIFPT-OAHLLOKOSA-N 0 1 305.426 0.787 50 0 DCAAMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000045053241 415244724 /nfs/dbraw/zinc/24/47/24/415244724.db2.gz NLEIDVFKIIOOPP-CQSZACIVSA-N 0 1 318.377 0.751 50 0 DCAAMN COCCN1CCCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000048428899 415293222 /nfs/dbraw/zinc/29/32/22/415293222.db2.gz VTWHYZIEUHASAB-KBPBESRZSA-N 0 1 311.426 0.329 50 0 DCAAMN N[C@H](CO)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 ZINC000067604568 415378277 /nfs/dbraw/zinc/37/82/77/415378277.db2.gz IZRKYCKRNXDNEJ-GFCCVEGCSA-N 0 1 322.315 0.559 50 0 DCAAMN C[C@H](CCc1cccc(F)c1)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000097084463 415580031 /nfs/dbraw/zinc/58/00/31/415580031.db2.gz SCCPGHDSNBTMEL-IUODEOHRSA-N 0 1 319.380 0.789 50 0 DCAAMN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000106929559 415656193 /nfs/dbraw/zinc/65/61/93/415656193.db2.gz QCSLQIRTUHZUKY-HUUCEWRRSA-N 0 1 307.442 0.257 50 0 DCAAMN C[C@@H]1C[C@@H](C)CN(CCNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000107573323 415669241 /nfs/dbraw/zinc/66/92/41/415669241.db2.gz YXQXCMVCSGFHPF-UPJWGTAASA-N 0 1 317.455 0.451 50 0 DCAAMN CN1CCN2CCN(C(=O)CCc3cccc(O)c3)C[C@@H]2C1 ZINC000299775116 416066397 /nfs/dbraw/zinc/06/63/97/416066397.db2.gz HFCHEICEVJGXNJ-HNNXBMFYSA-N 0 1 303.406 0.783 50 0 DCAAMN CC(C)(C)c1cc(CNC(=O)CCNS(C)(=O)=O)n[nH]1 ZINC000299782451 416067816 /nfs/dbraw/zinc/06/78/16/416067816.db2.gz SUFGJBYQLFMPPJ-UHFFFAOYSA-N 0 1 302.400 0.263 50 0 DCAAMN C[C@H](CNC(=O)Nc1cccc(C(N)=O)c1)N1CCN(C)CC1 ZINC000299789274 416069471 /nfs/dbraw/zinc/06/94/71/416069471.db2.gz ZEALCLZKSZSKIY-GFCCVEGCSA-N 0 1 319.409 0.543 50 0 DCAAMN COc1ccnc(N2CCC(C(=O)N3CCNC[C@@H]3C)CC2)n1 ZINC000179119873 416182551 /nfs/dbraw/zinc/18/25/51/416182551.db2.gz ZYCXYJXGBLGHIN-LBPRGKRZSA-N 0 1 319.409 0.522 50 0 DCAAMN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H](O)[C@H](O)C2)c1 ZINC000225533386 416327728 /nfs/dbraw/zinc/32/77/28/416327728.db2.gz DWMPVCWBPDJXJF-RAIGVLPGSA-N 0 1 301.770 0.426 50 0 DCAAMN Nc1ncc(C[N@H+]2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)cn1 ZINC000426415468 416768543 /nfs/dbraw/zinc/76/85/43/416768543.db2.gz PLBHAQHOOFNOJG-LBPRGKRZSA-N 0 1 316.365 0.720 50 0 DCAAMN O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc2[nH]nnc2c1 ZINC000575607714 417541426 /nfs/dbraw/zinc/54/14/26/417541426.db2.gz NWQDMTLMIKMFEJ-UHFFFAOYSA-N 0 1 324.344 0.822 50 0 DCAAMN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2Cc3ccccc3CN2)CC1=O ZINC000299752436 229396508 /nfs/dbraw/zinc/39/65/08/229396508.db2.gz UDEIRFMPDGCATQ-MPESAESLSA-N 0 1 313.401 0.826 50 0 DCAAMN CN(C)C1CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)C1 ZINC000241338698 289071652 /nfs/dbraw/zinc/07/16/52/289071652.db2.gz MDBQERPSPUQYSY-GJZGRUSLSA-N 0 1 321.421 0.200 50 0 DCAAMN Cc1sc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1S(N)(=O)=O ZINC000153252290 294071030 /nfs/dbraw/zinc/07/10/30/294071030.db2.gz VVUUMIVLDCSKKV-OCAPTIKFSA-N 0 1 317.436 0.526 50 0 DCAAMN Cc1ccccc1[C@@H](C(=O)NCC(=O)NCCC(=O)[O-])[NH+](C)C ZINC000095511475 302113303 /nfs/dbraw/zinc/11/33/03/302113303.db2.gz ACPKZYYHUCNNBM-HNNXBMFYSA-N 0 1 321.377 0.305 50 0 DCAAMN CCN1C[C@H](NC(=O)N(C)Cc2n[nH]c3c2CCC3)CC1=O ZINC000534646433 334306032 /nfs/dbraw/zinc/30/60/32/334306032.db2.gz PDZFDMVYRNOKIQ-SNVBAGLBSA-N 0 1 305.382 0.661 50 0 DCAAMN C[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCN1 ZINC000237539412 524529294 /nfs/dbraw/zinc/52/92/94/524529294.db2.gz WHMWATOISIUUKI-NSHDSACASA-N 0 1 316.336 0.806 50 0 DCAAMN Cc1nc([C@@H]2CCCN(c3cncc(C(=O)N(C)C)n3)C2)n[nH]1 ZINC000670467120 547100620 /nfs/dbraw/zinc/10/06/20/547100620.db2.gz IULPFKXLHMMVRG-LLVKDONJSA-N 0 1 315.381 0.989 50 0 DCAAMN Cc1nnc([C@@H]2CCCN(c3cncc(C(=O)N(C)C)n3)C2)[nH]1 ZINC000670467120 547100625 /nfs/dbraw/zinc/10/06/25/547100625.db2.gz IULPFKXLHMMVRG-LLVKDONJSA-N 0 1 315.381 0.989 50 0 DCAAMN 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323.441 0.825 50 0 DCAAMN CN1CCC[C@]2(CO)CCN(c3nc(C(N)=O)cs3)C[C@@H]12 ZINC001704316198 1179971469 /nfs/dbraw/zinc/97/14/69/1179971469.db2.gz ZYFXCQHVOJQMAP-BXUZGUMPSA-N 0 1 310.423 0.525 50 0 DCAAMN Cc1ncc(CN(CCO)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[nH]1 ZINC001704329205 1179975593 /nfs/dbraw/zinc/97/55/93/1179975593.db2.gz ORHXDWYYFUYQAH-GFCCVEGCSA-N 0 1 322.409 0.686 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)C[C@@H]2O)n[nH]1 ZINC001704344974 1179980776 /nfs/dbraw/zinc/98/07/76/1179980776.db2.gz RWZGDGUMZJZCDN-ABAIWWIYSA-N 0 1 315.377 0.994 50 0 DCAAMN CN(CCCS(=O)(=O)N(C)C)Cc1ccc2nonc2c1 ZINC001704347915 1179982022 /nfs/dbraw/zinc/98/20/22/1179982022.db2.gz IAMULYLJZLQDJC-UHFFFAOYSA-N 0 1 312.395 0.936 50 0 DCAAMN CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H](O)C2 ZINC000823597146 758253036 /nfs/dbraw/zinc/25/30/36/758253036.db2.gz CAOLVWXZRRHBKK-LBPRGKRZSA-N 0 1 306.410 0.530 50 0 DCAAMN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](O)C2 ZINC000823597146 758253043 /nfs/dbraw/zinc/25/30/43/758253043.db2.gz CAOLVWXZRRHBKK-LBPRGKRZSA-N 0 1 306.410 0.530 50 0 DCAAMN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c(=O)n1 ZINC000827928148 758901542 /nfs/dbraw/zinc/90/15/42/758901542.db2.gz SLBLYZYYEXUSOY-GFCCVEGCSA-N 0 1 316.365 0.384 50 0 DCAAMN Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nc(C)[nH+]1 ZINC000584907985 766237310 /nfs/dbraw/zinc/23/73/10/766237310.db2.gz KKAKWGAIBAKGBU-NEPJUHHUSA-N 0 1 304.350 0.463 50 0 DCAAMN COc1cc(N2CCC3(C[C@H](C(=O)[O-])[N@@H+](C)C3)CC2)nc(N)n1 ZINC000219566154 766270803 /nfs/dbraw/zinc/27/08/03/766270803.db2.gz NMOVACPPRTXYAA-SNVBAGLBSA-N 0 1 321.381 0.443 50 0 DCAAMN Cc1nc([C@H]2CN(CC(=O)Nc3c(C)n[nH]c3C)CCO2)n[nH]1 ZINC000078892489 185124400 /nfs/dbraw/zinc/12/44/00/185124400.db2.gz WTUGNJIEEKZSOM-LLVKDONJSA-N 0 1 319.369 0.465 50 0 DCAAMN O=C(COCC(F)(F)C(F)F)NCc1cc2n(n1)CCNC2 ZINC000082114952 192358137 /nfs/dbraw/zinc/35/81/37/192358137.db2.gz OFXFYQYHGCWXBJ-UHFFFAOYSA-N 0 1 324.278 0.520 50 0 DCAAMN CN1CCN([C@@H](CNS(C)(=O)=O)c2ccc(F)cc2)CC1 ZINC000022783066 282961206 /nfs/dbraw/zinc/96/12/06/282961206.db2.gz AMYSEPLEGMNFQY-AWEZNQCLSA-N 0 1 315.414 0.663 50 0 DCAAMN O=C([C@H](O)C(F)(F)F)N1CCN(C2CCCCC2)C(=O)C1 ZINC000071755536 191024546 /nfs/dbraw/zinc/02/45/46/191024546.db2.gz JMMCQNOUYHCETK-NSHDSACASA-N 0 1 308.300 0.913 50 0 DCAAMN O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cnn[nH]1 ZINC000072147562 191053255 /nfs/dbraw/zinc/05/32/55/191053255.db2.gz MBDNJBJGASHWEN-ZDUSSCGKSA-N 0 1 302.338 0.003 50 0 DCAAMN Cc1nc(CCNC(=O)[C@H]2CNCCO2)nc2c1CCCC2 ZINC000072148628 191054548 /nfs/dbraw/zinc/05/45/48/191054548.db2.gz JYAFPZDVRFWCLL-CQSZACIVSA-N 0 1 304.394 0.311 50 0 DCAAMN O=c1cc(CN2CCC[C@@](O)(CO)C2)nc2ccc(Cl)cn12 ZINC000072154792 191059917 /nfs/dbraw/zinc/05/99/17/191059917.db2.gz OYTVGBADYKNPAP-HNNXBMFYSA-N 0 1 323.780 0.667 50 0 DCAAMN CN(Cc1cc2n(n1)CCNC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000072174329 191070762 /nfs/dbraw/zinc/07/07/62/191070762.db2.gz OTFQPLOOFLWBQD-UHFFFAOYSA-N 0 1 324.392 0.798 50 0 DCAAMN OC[C@]1(O)CCCN(Cc2cnc(-c3ccccn3)nc2)C1 ZINC000072419169 191157263 /nfs/dbraw/zinc/15/72/63/191157263.db2.gz IHZBOVUWWLVBPJ-INIZCTEOSA-N 0 1 300.362 0.858 50 0 DCAAMN CNC(=O)c1ccc(CN2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)o1 ZINC000072422299 191159000 /nfs/dbraw/zinc/15/90/00/191159000.db2.gz GADWSIFRPJMBCX-GFCCVEGCSA-N 0 1 321.377 0.668 50 0 DCAAMN Cc1cccc(CN2CCN(C(=O)[C@@H]3CNCCO3)CC2)c1 ZINC000072478528 191179745 /nfs/dbraw/zinc/17/97/45/191179745.db2.gz HROIZGMLLDFDQJ-INIZCTEOSA-N 0 1 303.406 0.628 50 0 DCAAMN Cc1cc(C)cc(OCCN(C)C(=O)CNC(CO)CO)c1 ZINC000408524564 239273391 /nfs/dbraw/zinc/27/33/91/239273391.db2.gz VRWNNEIAUOHXMW-UHFFFAOYSA-N 0 1 310.394 0.083 50 0 DCAAMN O=C([C@H]1CNCCO1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091819166 193112494 /nfs/dbraw/zinc/11/24/94/193112494.db2.gz RQLBDYFGSQVRRJ-OAHLLOKOSA-N 0 1 307.369 0.853 50 0 DCAAMN O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(CCOCCO)C2 ZINC000091872372 193120954 /nfs/dbraw/zinc/12/09/54/193120954.db2.gz 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/nfs/dbraw/zinc/24/35/49/257243549.db2.gz FURUUGZXUATHGI-UHFFFAOYSA-N 0 1 306.366 0.410 50 0 DCAAMN C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(CCC(=O)[O-])CC2)C1 ZINC000426707270 257243798 /nfs/dbraw/zinc/24/37/98/257243798.db2.gz TZRZKOFBBUPEJA-CQSZACIVSA-N 0 1 311.426 0.727 50 0 DCAAMN C[N@H+]1CCC[C@H](CCC(=O)N2CCN(CCC(=O)[O-])CC2)C1 ZINC000426707270 257243800 /nfs/dbraw/zinc/24/38/00/257243800.db2.gz TZRZKOFBBUPEJA-CQSZACIVSA-N 0 1 311.426 0.727 50 0 DCAAMN O=C(NCCn1cccn1)N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000426698482 257244129 /nfs/dbraw/zinc/24/41/29/257244129.db2.gz UIIPJBZVOHVCMW-HNNXBMFYSA-N 0 1 321.425 0.371 50 0 DCAAMN O=C(NCCS(=O)(=O)N1CCCC1)c1[nH]nc2c1CCC2 ZINC000426536586 257247231 /nfs/dbraw/zinc/24/72/31/257247231.db2.gz YQQFPAUMXGSELV-UHFFFAOYSA-N 0 1 312.395 0.054 50 0 DCAAMN COCCN(CC(=O)[O-])C(=O)C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000426517610 257247911 /nfs/dbraw/zinc/24/79/11/257247911.db2.gz RWANWGPUVJRHJF-GFCCVEGCSA-N 0 1 302.371 0.045 50 0 DCAAMN CCc1cc(N(C)C[C@@H]2COCCO2)nc(N2CCOCC2)n1 ZINC000065468417 134826027 /nfs/dbraw/zinc/82/60/27/134826027.db2.gz HLXVVTOXDWIQAW-CQSZACIVSA-N 0 1 322.409 0.727 50 0 DCAAMN O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCc1cnc[nH]1 ZINC000013550544 395688689 /nfs/dbraw/zinc/68/86/89/395688689.db2.gz WXJURWXTIXTZCZ-UHFFFAOYSA-N 0 1 316.317 0.227 50 0 biogenic DCAAMN O=C(c1ccc2[nH]nnc2c1)N1CCN(c2cnccn2)CC1 ZINC000025342986 395693448 /nfs/dbraw/zinc/69/34/48/395693448.db2.gz YOGGSMYXNHDCGO-UHFFFAOYSA-N 0 1 309.333 0.710 50 0 DCAAMN O=C(CN1CCN(C[C@@H](O)C2CC2)CC1)Nc1nccs1 ZINC000085436844 395700416 /nfs/dbraw/zinc/70/04/16/395700416.db2.gz LTSPRNCAMJCBFM-GFCCVEGCSA-N 0 1 310.423 0.470 50 0 DCAAMN CS(=O)(=O)NCCCNC(=O)c1c[nH]c2ccccc2c1=O ZINC000033013447 395715627 /nfs/dbraw/zinc/71/56/27/395715627.db2.gz JXWZWUNLIKVZMM-UHFFFAOYSA-N 0 1 323.374 0.197 50 0 DCAAMN COCC[N@H+]1C[C@@H]2CN(C(=O)c3ccoc3)C[C@]2(C(=O)[O-])C1 ZINC000091635942 395726847 /nfs/dbraw/zinc/72/68/47/395726847.db2.gz PIQCJGIIPXZYPP-IUODEOHRSA-N 0 1 308.334 0.385 50 0 DCAAMN Cn1nc2n(c1=O)C[C@H](c1n[nH]c(C3CCOCC3)n1)CC2 ZINC000097805702 395761071 /nfs/dbraw/zinc/76/10/71/395761071.db2.gz LZKVLQWQXXZTMC-SNVBAGLBSA-N 0 1 304.354 0.324 50 0 DCAAMN O=C(Cc1cnc[nH]1)N[C@@H]1COCC[C@H]1Oc1ccccn1 ZINC000223320567 395855248 /nfs/dbraw/zinc/85/52/48/395855248.db2.gz YSMXXVAZBOBKRD-CHWSQXEVSA-N 0 1 302.334 0.700 50 0 DCAAMN Cc1n[nH]c(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c1C ZINC000223702292 395856650 /nfs/dbraw/zinc/85/66/50/395856650.db2.gz JWEDQPXMMDBQKP-MSQAHXEGSA-N 0 1 306.410 0.793 50 0 DCAAMN CS(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000047462961 395793014 /nfs/dbraw/zinc/79/30/14/395793014.db2.gz FFYXQQQPKRVOGJ-UHFFFAOYSA-N 0 1 311.451 0.744 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000124638832 395901254 /nfs/dbraw/zinc/90/12/54/395901254.db2.gz DTGRTMLMKDVJIT-LLVKDONJSA-N 0 1 316.336 0.806 50 0 DCAAMN C[N@@H+](Cc1cc(=O)n2ccccc2n1)CC1(CO)CCOCC1 ZINC000244884213 395926022 /nfs/dbraw/zinc/92/60/22/395926022.db2.gz YHOHEBUNHFRHIE-UHFFFAOYSA-N 0 1 317.389 0.915 50 0 DCAAMN O=C(NCCc1nnn[n-]1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000244899836 395926175 /nfs/dbraw/zinc/92/61/75/395926175.db2.gz ZRGXZTLEXYTUDW-AWEZNQCLSA-N 0 1 314.393 0.913 50 0 DCAAMN CC(C)CN1CCN(C(=O)c2cc(CO)ccn2)C[C@H]1CCO ZINC000230567796 395881443 /nfs/dbraw/zinc/88/14/43/395881443.db2.gz RUSULGJSLLQNFH-OAHLLOKOSA-N 0 1 321.421 0.739 50 0 DCAAMN COC[C@@H](C)NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000065451951 395994006 /nfs/dbraw/zinc/99/40/06/395994006.db2.gz YBMQDUFWOXGLOA-CYBMUJFWSA-N 0 1 321.425 0.668 50 0 DCAAMN CCc1cc(N[C@H]2CCCCNC2=O)nc(N2CCOCC2)n1 ZINC000065507943 395994585 /nfs/dbraw/zinc/99/45/85/395994585.db2.gz UJFRTXOSXDWEGG-ZDUSSCGKSA-N 0 1 319.409 0.956 50 0 DCAAMN CCOC(=O)c1cc(CN2CCN(CCO)[C@@H](C)C2)[nH]c1C ZINC000253431880 396028540 /nfs/dbraw/zinc/02/85/40/396028540.db2.gz UZXLGXVUBRIDAV-LBPRGKRZSA-N 0 1 309.410 0.998 50 0 DCAAMN COc1ccc2[nH]c(=O)c(C[N@@H+]3CC[C@@](N)(C(=O)[O-])C3)cc2c1 ZINC000067967310 396040173 /nfs/dbraw/zinc/04/01/73/396040173.db2.gz SSKUXISGAJCTRK-INIZCTEOSA-N 0 1 317.345 0.525 50 0 DCAAMN COc1ccc2[nH]c(=O)c(C[N@H+]3CC[C@@](N)(C(=O)[O-])C3)cc2c1 ZINC000067967310 396040178 /nfs/dbraw/zinc/04/01/78/396040178.db2.gz SSKUXISGAJCTRK-INIZCTEOSA-N 0 1 317.345 0.525 50 0 DCAAMN O=C(CCCN1CCCCC1=O)N1CCC(c2nn[nH]n2)CC1 ZINC000252485523 396020864 /nfs/dbraw/zinc/02/08/64/396020864.db2.gz GXPDMKUXZHTUIP-UHFFFAOYSA-N 0 1 320.397 0.698 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCCS(C)(=O)=O ZINC000069924121 396095770 /nfs/dbraw/zinc/09/57/70/396095770.db2.gz JSTBYRSMTWHRHU-ZIAGYGMSSA-N 0 1 302.440 0.896 50 0 DCAAMN CC(C)c1ncc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)[nH]1 ZINC000069975387 396097132 /nfs/dbraw/zinc/09/71/32/396097132.db2.gz GBVCHUZOYQTESO-CYBMUJFWSA-N 0 1 320.393 0.997 50 0 DCAAMN Cc1cccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)[C@H](C)C2)[nH+]1 ZINC000072285289 396130165 /nfs/dbraw/zinc/13/01/65/396130165.db2.gz AWFHODQSMKMFFX-SNVBAGLBSA-N 0 1 302.338 0.565 50 0 DCAAMN 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/nfs/dbraw/zinc/09/87/18/547098718.db2.gz XBPKTJKULMHZKV-LBPRGKRZSA-N 0 1 310.373 0.907 50 0 DCAAMN CCn1cc(S(=O)(=O)NCCCN2CCC[C@H](O)C2)cn1 ZINC000670469339 547100093 /nfs/dbraw/zinc/10/00/93/547100093.db2.gz SENASGSAFXTVQA-LBPRGKRZSA-N 0 1 316.427 0.028 50 0 DCAAMN COc1ccc(CN2C[C@H](O)[C@@H](OC)C2)cc1Cn1cncn1 ZINC000670469532 547100421 /nfs/dbraw/zinc/10/04/21/547100421.db2.gz LPUOOWYLSGSUGV-HOCLYGCPSA-N 0 1 318.377 0.527 50 0 DCAAMN CN(C)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1n1ccnn1 ZINC000685940044 548746124 /nfs/dbraw/zinc/74/61/24/548746124.db2.gz DLDZJUWVGQTXPR-OLZOCXBDSA-N 0 1 315.381 0.117 50 0 DCAAMN O=C1N(CC2CC2)CCC[C@]1(O)CN1CCc2n[nH]cc2C1 ZINC000012316511 666440544 /nfs/dbraw/zinc/44/05/44/666440544.db2.gz KJBBLGVBUZVRKZ-INIZCTEOSA-N 0 1 304.394 0.531 50 0 DCAAMN Cc1cc(CNC(=O)[C@H]2CCCN(CC(N)=O)C2)cc(C)n1 ZINC000952964749 685598048 /nfs/dbraw/zinc/59/80/48/685598048.db2.gz QFYPUTWKZLCARA-AWEZNQCLSA-N 0 1 304.394 0.512 50 0 DCAAMN CCc1csc(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)n1 ZINC000952974322 685600360 /nfs/dbraw/zinc/60/03/60/685600360.db2.gz ALNDBCUNHKTXNM-SNVBAGLBSA-N 0 1 310.423 0.519 50 0 DCAAMN O[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1Cc1cnccn1 ZINC001704300978 1179966578 /nfs/dbraw/zinc/96/65/78/1179966578.db2.gz DMRZQZUYLVGABN-BXUZGUMPSA-N 0 1 307.785 0.862 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@@H]2O)n[nH]1 ZINC001704338384 1179978099 /nfs/dbraw/zinc/97/80/99/1179978099.db2.gz SDACBOQONPACGY-RISCZKNCSA-N 0 1 304.325 0.928 50 0 DCAAMN COc1ccnc(C(=O)N2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)c1 ZINC001704353970 1179983636 /nfs/dbraw/zinc/98/36/36/1179983636.db2.gz QHJBEWIECDWCPQ-IAQYHMDHSA-N 0 1 316.361 0.797 50 0 DCAAMN O=C(NCCn1cccn1)[C@@H]1Cc2nc[nH]c2C2(CCCC2)N1 ZINC000675008860 748025024 /nfs/dbraw/zinc/02/50/24/748025024.db2.gz MXXOJOXELUEKJY-ZDUSSCGKSA-N 0 1 314.393 0.706 50 0 DCAAMN COCCN1C[C@H](C(=O)N2CCN(CC3CCC3)CC2)CC1=O ZINC000824411960 758774015 /nfs/dbraw/zinc/77/40/15/758774015.db2.gz PKGWFGMUWJHJIW-OAHLLOKOSA-N 0 1 323.437 0.426 50 0 DCAAMN 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DCAAMN CNC(=O)CCN(C)c1nc(-c2cccnc2)nc2c1CNC2 ZINC000072133572 191044524 /nfs/dbraw/zinc/04/45/24/191044524.db2.gz QJOQQNFYGUVITQ-UHFFFAOYSA-N 0 1 312.377 0.714 50 0 DCAAMN CN1CC2(CCN(Cc3cc4n(n3)CCNC4)CC2)OC1=O ZINC000072157305 191061493 /nfs/dbraw/zinc/06/14/93/191061493.db2.gz FJKMDLFKNHUFDX-UHFFFAOYSA-N 0 1 305.382 0.403 50 0 DCAAMN CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H]2C(N)=O)cc1 ZINC000072319281 191121302 /nfs/dbraw/zinc/12/13/02/191121302.db2.gz NBLFXQPBUVNTGB-SWLSCSKDSA-N 0 1 308.378 0.775 50 0 DCAAMN CCOc1ccccc1C[N@H+]1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072422598 191158194 /nfs/dbraw/zinc/15/81/94/191158194.db2.gz NPGMCFJVSGJETQ-BLLLJJGKSA-N 0 1 304.346 0.718 50 0 DCAAMN COc1ccc(CCN[C@@H]2CC(=O)N(N(C)C)C2=O)cc1OC ZINC000004696739 181138512 /nfs/dbraw/zinc/13/85/12/181138512.db2.gz KHNAOEVGILNIHZ-GFCCVEGCSA-N 0 1 321.377 0.440 50 0 DCAAMN C[N@H+]1CC[C@H]2CN(C(=O)CCc3cn[nH]c3)C[C@@]2(C(=O)[O-])C1 ZINC000091326821 193040896 /nfs/dbraw/zinc/04/08/96/193040896.db2.gz IGWGVQMDDMAVDI-WFASDCNBSA-N 0 1 306.366 0.207 50 0 DCAAMN Cc1nn(CCO)cc1CN1CCC2(CC1)OCCC[C@@H]2O ZINC000091493909 193064096 /nfs/dbraw/zinc/06/40/96/193064096.db2.gz QZMWVBLIWDEPHA-HNNXBMFYSA-N 0 1 309.410 0.690 50 0 DCAAMN Cc1ccnn1CC(=O)N1CCN(C)[C@]2(C1)CCNC(=O)CC2 ZINC000091713629 193095752 /nfs/dbraw/zinc/09/57/52/193095752.db2.gz CWTRIDWFJYQZPA-INIZCTEOSA-N 0 1 319.409 0.004 50 0 DCAAMN COCCN1CCC[C@]2(CCN(Cc3nc(C)no3)C2)C1=O ZINC000091737571 193099510 /nfs/dbraw/zinc/09/95/10/193099510.db2.gz ZRVSLPCKVWWGQF-OAHLLOKOSA-N 0 1 308.382 0.839 50 0 DCAAMN CS(=O)(=O)CC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091745673 193100782 /nfs/dbraw/zinc/10/07/82/193100782.db2.gz PMZKAYVYXLDEJN-QWHCGFSZSA-N 0 1 315.366 0.970 50 0 DCAAMN CS(=O)(=O)CC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091745673 193100783 /nfs/dbraw/zinc/10/07/83/193100783.db2.gz PMZKAYVYXLDEJN-QWHCGFSZSA-N 0 1 315.366 0.970 50 0 DCAAMN Cc1nnc(SCCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)[nH]1 ZINC000219473684 201558301 /nfs/dbraw/zinc/55/83/01/201558301.db2.gz HTFXDZJNDBNQDC-VIFPVBQESA-N 0 1 316.408 0.270 50 0 DCAAMN C[NH+]1CCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000019313587 182114244 /nfs/dbraw/zinc/11/42/44/182114244.db2.gz QDQGTFOFWWKDEQ-ZDUSSCGKSA-N 0 1 317.345 0.264 50 0 DCAAMN c1cc(-n2nnnc2SCc2nn[nH]n2)cc2c1OCO2 ZINC000019795262 182150616 /nfs/dbraw/zinc/15/06/16/182150616.db2.gz RIPXRNUMACXNDH-UHFFFAOYSA-N 0 1 304.295 0.196 50 0 DCAAMN CN(C)CCNS(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000044069364 183393542 /nfs/dbraw/zinc/39/35/42/183393542.db2.gz RJEYFWVHUXSWTA-UHFFFAOYSA-N 0 1 304.759 0.716 50 0 DCAAMN NC(=O)[C@H]1CCCCN1CCCc1nnnn1-c1ccccc1 ZINC000058131227 184079060 /nfs/dbraw/zinc/07/90/60/184079060.db2.gz CBMBEUBOLYICQT-CQSZACIVSA-N 0 1 314.393 0.935 50 0 DCAAMN Cn1nccc1C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000058305275 184103351 /nfs/dbraw/zinc/10/33/51/184103351.db2.gz TYATUGBKBKYZJT-UHFFFAOYSA-N 0 1 317.393 0.197 50 0 DCAAMN Cc1nn(C)c(N2CCOCC2)c1CNCCC(=O)N(C)C ZINC000058412705 184114625 /nfs/dbraw/zinc/11/46/25/184114625.db2.gz YMNGRPUREUUOGY-UHFFFAOYSA-N 0 1 309.414 0.133 50 0 DCAAMN Cc1cn(Cc2n[nH]c(CCc3ccccc3)n2)c(=O)[nH]c1=O ZINC000065406909 184338910 /nfs/dbraw/zinc/33/89/10/184338910.db2.gz JCOLZMBFPNTBJJ-UHFFFAOYSA-N 0 1 311.345 0.797 50 0 DCAAMN CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H]1COCCN1)CC2 ZINC000092028815 256548807 /nfs/dbraw/zinc/54/88/07/256548807.db2.gz WMVVKOLQGMWZSA-CQSZACIVSA-N 0 1 323.437 0.616 50 0 DCAAMN C[C@H](CO)N1CCCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000356977050 257235938 /nfs/dbraw/zinc/23/59/38/257235938.db2.gz JFPFHNWSXCBDSM-ZBFHGGJFSA-N 0 1 306.406 0.505 50 0 DCAAMN C[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)n1cnnn1 ZINC000426712757 257243520 /nfs/dbraw/zinc/24/35/20/257243520.db2.gz ODJMFJHXGUGQIW-LBPRGKRZSA-N 0 1 315.381 0.410 50 0 DCAAMN O=C(NCCn1cccn1)N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000426698483 257244068 /nfs/dbraw/zinc/24/40/68/257244068.db2.gz UIIPJBZVOHVCMW-OAHLLOKOSA-N 0 1 321.425 0.371 50 0 DCAAMN Cc1ccn2c(nnc2C(=O)NCCSc2cn[nH]n2)n1 ZINC000426412707 257251367 /nfs/dbraw/zinc/25/13/67/257251367.db2.gz NJLOZBKOGCYCOA-UHFFFAOYSA-N 0 1 304.339 0.073 50 0 DCAAMN Cc1cc(N2CCN3CCNC(=O)[C@H]3C2)nc(N2CCCC2)n1 ZINC000252469995 257258913 /nfs/dbraw/zinc/25/89/13/257258913.db2.gz HLDGDWZYOJWUJD-CYBMUJFWSA-N 0 1 316.409 0.006 50 0 DCAAMN Cn1cnc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 ZINC000285410897 131165740 /nfs/dbraw/zinc/16/57/40/131165740.db2.gz YJLQPDANJKOFOZ-SWLSCSKDSA-N 0 1 316.409 0.967 50 0 DCAAMN CC(C)CNC(=O)C(=O)Nc1c(O)c2ccccc2[nH]c1=O ZINC000008995242 395684995 /nfs/dbraw/zinc/68/49/95/395684995.db2.gz XAAOKKIXMKEJEG-UHFFFAOYSA-N 0 1 303.318 0.944 50 0 DCAAMN CCn1nc(C)c(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1C ZINC000011954288 395686903 /nfs/dbraw/zinc/68/69/03/395686903.db2.gz RWFSWRYDRRPOCG-IAGOWNOFSA-N 0 1 322.453 0.787 50 0 DCAAMN O=C(CNCCO)Nc1ccc(I)cc1 ZINC000002570943 395681738 /nfs/dbraw/zinc/68/17/38/395681738.db2.gz JKELPVBKZMDMDH-UHFFFAOYSA-N 0 1 320.130 0.812 50 0 DCAAMN O=C([C@@H](c1ccccc1F)N1CCOCC1)N1CCNCC1 ZINC000032068668 395708945 /nfs/dbraw/zinc/70/89/45/395708945.db2.gz HNTMZWSVQRNAJO-OAHLLOKOSA-N 0 1 307.369 0.631 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)Cc3cccnc3)CCO2)n[nH]1 ZINC000089289762 395710016 /nfs/dbraw/zinc/71/00/16/395710016.db2.gz PMCVXTSJQSYTBC-LBPRGKRZSA-N 0 1 301.350 0.905 50 0 DCAAMN COCCN1C[C@@]2(CCCN(CC(=O)N(C)C)C2)CCC1=O ZINC000091808633 395727795 /nfs/dbraw/zinc/72/77/95/395727795.db2.gz PVADAXWEYGFNCV-INIZCTEOSA-N 0 1 311.426 0.426 50 0 DCAAMN CN(C)c1nccc(N2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000096416572 395753242 /nfs/dbraw/zinc/75/32/42/395753242.db2.gz OVHCLTVKVYYZEA-UHFFFAOYSA-N 0 1 301.354 0.228 50 0 DCAAMN O=C(Cc1ccccn1)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000097163632 395755305 /nfs/dbraw/zinc/75/53/05/395755305.db2.gz IDJQBSWHHBJKLZ-UHFFFAOYSA-N 0 1 323.360 0.639 50 0 DCAAMN Cc1ccc(S(=O)(=O)N(C)C[C@H](C)c2nn[nH]n2)s1 ZINC000097377632 395757703 /nfs/dbraw/zinc/75/77/03/395757703.db2.gz YWRVDMSFQPUWNS-ZETCQYMHSA-N 0 1 301.397 0.994 50 0 DCAAMN Cc1nc2ccccc2n1CC(=O)NCc1cc2n(n1)CCNC2 ZINC000097619367 395759042 /nfs/dbraw/zinc/75/90/42/395759042.db2.gz RYRPZRWWOMSOGN-UHFFFAOYSA-N 0 1 324.388 0.961 50 0 DCAAMN CC(=O)c1cc(CC(=O)NCC(=O)N2CCNCC2)cs1 ZINC000097797422 395760828 /nfs/dbraw/zinc/76/08/28/395760828.db2.gz ZSMQIQWTYCUJJY-UHFFFAOYSA-N 0 1 309.391 0.041 50 0 DCAAMN CN1CCN(c2ccc(C(=O)NC[C@@H]3COCCO3)cc2)CC1 ZINC000215013609 395836673 /nfs/dbraw/zinc/83/66/73/395836673.db2.gz SSCAZIDLAPAXQI-MRXNPFEDSA-N 0 1 319.405 0.584 50 0 DCAAMN C[N@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)C[C@H]1C(=O)[O-] ZINC000244778760 395925467 /nfs/dbraw/zinc/92/54/67/395925467.db2.gz PVYPTZUUGJRZGC-JSGCOSHPSA-N 0 1 301.346 0.915 50 0 DCAAMN Cc1nc(N)sc1C(=O)NCC1(CN2CCN(C)CC2)CC1 ZINC000244899931 395926608 /nfs/dbraw/zinc/92/66/08/395926608.db2.gz ZTEIARHJANFASG-UHFFFAOYSA-N 0 1 323.466 0.791 50 0 DCAAMN CCOc1cccc(CN2C[C@@H](CO)[C@H](NC(=O)COC)C2)c1 ZINC000253413459 396028123 /nfs/dbraw/zinc/02/81/23/396028123.db2.gz UVGQSYSDJHIIAE-GOEBONIOSA-N 0 1 322.405 0.641 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1C(=O)[O-] ZINC000067726656 396032006 /nfs/dbraw/zinc/03/20/06/396032006.db2.gz QZDFUEOEUBRTCR-ZDUSSCGKSA-N 0 1 314.345 0.918 50 0 DCAAMN C[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)C[C@H](C)N1 ZINC000154235143 396034211 /nfs/dbraw/zinc/03/42/11/396034211.db2.gz MOWJCRFMRQRQNL-TXEJJXNPSA-N 0 1 305.378 0.763 50 0 DCAAMN O=C(Cn1nnc2ccccc2c1=O)NCc1n[nH]c2c1CCC2 ZINC000067820655 396034855 /nfs/dbraw/zinc/03/48/55/396034855.db2.gz MVENNYACUUTGMN-UHFFFAOYSA-N 0 1 324.344 0.320 50 0 DCAAMN CC(C)NC(=O)CN[C@H](C)Cn1cnc2ccccc2c1=O ZINC000067954891 396040466 /nfs/dbraw/zinc/04/04/66/396040466.db2.gz PIYFUPTVBRQKED-GFCCVEGCSA-N 0 1 302.378 0.899 50 0 DCAAMN CN(C)c1nccnc1O[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000169756440 396091227 /nfs/dbraw/zinc/09/12/27/396091227.db2.gz CDGXQAYDALFHDR-JTQLQIEISA-N 0 1 302.338 0.559 50 0 DCAAMN C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870593 396093154 /nfs/dbraw/zinc/09/31/54/396093154.db2.gz LVUPGCRSRHRDQM-NWDGAFQWSA-N 0 1 318.377 0.921 50 0 DCAAMN Cc1cnn(C[C@@H]2CCCN2CC(=O)N2CCO[C@H](C)C2)c1 ZINC000069928718 396095541 /nfs/dbraw/zinc/09/55/41/396095541.db2.gz RIKUNXFWGOREDD-CABCVRRESA-N 0 1 306.410 0.903 50 0 DCAAMN CCC[C@@H](C)S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000170613331 396096117 /nfs/dbraw/zinc/09/61/17/396096117.db2.gz VYKOAZWPFXJCLS-GFCCVEGCSA-N 0 1 305.444 0.211 50 0 DCAAMN CCN1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000069951769 396096298 /nfs/dbraw/zinc/09/62/98/396096298.db2.gz IZZXLVRFUPMEBP-UHFFFAOYSA-N 0 1 324.450 0.912 50 0 DCAAMN Cc1cnn(C[C@@H]2CCCN2CC(=O)NC2CCOCC2)c1 ZINC000070039913 396098996 /nfs/dbraw/zinc/09/89/96/396098996.db2.gz WUTOIIVVISYZNM-HNNXBMFYSA-N 0 1 306.410 0.951 50 0 DCAAMN Cc1cc(N2CC[NH2+][C@H](C(=O)[O-])C2)nc(N2CCCCC2)n1 ZINC000071775726 396114690 /nfs/dbraw/zinc/11/46/90/396114690.db2.gz PURANWIABBBIRF-LBPRGKRZSA-N 0 1 305.382 0.638 50 0 DCAAMN Cc1cc(N(C)C)nc(N2CCC(N3CCNC3=O)CC2)n1 ZINC000071811747 396116121 /nfs/dbraw/zinc/11/61/21/396116121.db2.gz IYMGAHBQPHTAQB-UHFFFAOYSA-N 0 1 304.398 0.845 50 0 DCAAMN COCCn1nc(C(=O)N2CCN3CCCC[C@@H]3C2)ccc1=O ZINC000071839924 396118819 /nfs/dbraw/zinc/11/88/19/396118819.db2.gz JSCQDAYMSSSQPI-CYBMUJFWSA-N 0 1 320.393 0.200 50 0 DCAAMN CN(C[C@H](O)CN1CCN(C)CC1)c1cnc2ccccc2n1 ZINC000071893789 396123733 /nfs/dbraw/zinc/12/37/33/396123733.db2.gz VBBPQLIRUCXOSS-AWEZNQCLSA-N 0 1 315.421 0.674 50 0 DCAAMN CCn1ccnc1CN1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000069418153 396078023 /nfs/dbraw/zinc/07/80/23/396078023.db2.gz HQCIXKJPPRABTL-OAHLLOKOSA-N 0 1 318.425 0.278 50 0 DCAAMN Cc1cc(N(C)C)nc(N2CCO[C@@H](Cn3cccn3)C2)n1 ZINC000069454003 396078997 /nfs/dbraw/zinc/07/89/97/396078997.db2.gz XNSWXKYWTJNZED-CYBMUJFWSA-N 0 1 302.382 0.953 50 0 DCAAMN Cc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)C(=O)N2CCOCC2)n1 ZINC000069538549 396082888 /nfs/dbraw/zinc/08/28/88/396082888.db2.gz OUVLJWSZIUBQBU-WFASDCNBSA-N 0 1 321.425 0.607 50 0 DCAAMN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cnn[nH]1 ZINC000076018831 396191738 /nfs/dbraw/zinc/19/17/38/396191738.db2.gz ZMRUMMHYLHCHRG-JTQLQIEISA-N 0 1 305.725 0.993 50 0 DCAAMN Cc1cnn(CCC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000076044846 396192980 /nfs/dbraw/zinc/19/29/80/396192980.db2.gz VHJYDPWFFFPLPW-GFCCVEGCSA-N 0 1 304.354 0.608 50 0 DCAAMN Cc1cc(NC(=O)[C@@H](C)N2CCO[C@H](c3n[nH]c(C)n3)C2)no1 ZINC000076042578 396193153 /nfs/dbraw/zinc/19/31/53/396193153.db2.gz UQBWEHBEJOTCTL-KOLCDFICSA-N 0 1 320.353 0.810 50 0 DCAAMN CCN1CCN(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 ZINC000076425145 396204072 /nfs/dbraw/zinc/20/40/72/396204072.db2.gz QKRPCGYCGAWYHY-MRXNPFEDSA-N 0 1 318.421 0.227 50 0 DCAAMN O=C(CCCn1cnnn1)NCc1nc2ccc(F)cc2[nH]1 ZINC000584899306 396636612 /nfs/dbraw/zinc/63/66/12/396636612.db2.gz HJCWIOZKWWWYRS-UHFFFAOYSA-N 0 1 303.301 0.785 50 0 DCAAMN COCCn1cnnc1[C@@H](C)NC(=O)CN1CCCCCC1 ZINC000584899177 396636632 /nfs/dbraw/zinc/63/66/32/396636632.db2.gz JLABRSMATGOJJM-CYBMUJFWSA-N 0 1 309.414 0.978 50 0 DCAAMN COCCC[N@H+]1CCN(C(=O)c2ccc[nH]2)C[C@H](C(=O)[O-])C1 ZINC000097480361 292353807 /nfs/dbraw/zinc/35/38/07/292353807.db2.gz YDGKXPHBTSSBFC-GFCCVEGCSA-N 0 1 309.366 0.510 50 0 DCAAMN CCOc1ccc(OCCNC(=O)CN(C)C[C@H](C)O)cc1 ZINC000131273697 196156259 /nfs/dbraw/zinc/15/62/59/196156259.db2.gz SEJHFXLDEZKBGI-ZDUSSCGKSA-N 0 1 310.394 0.893 50 0 DCAAMN CCN1CCN(C[C@@H](O)COc2cccc(C(=O)OC)c2)CC1 ZINC000025561400 415160953 /nfs/dbraw/zinc/16/09/53/415160953.db2.gz JKNZPZWKDBUYTJ-OAHLLOKOSA-N 0 1 322.405 0.850 50 0 DCAAMN O=C(c1ccc2[nH]nnc2c1)N1CCN(c2ncccn2)CC1 ZINC000008337633 415145787 /nfs/dbraw/zinc/14/57/87/415145787.db2.gz HQYCIDATPBYRKZ-UHFFFAOYSA-N 0 1 309.333 0.710 50 0 DCAAMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NC(N)=O ZINC000026298664 415170150 /nfs/dbraw/zinc/17/01/50/415170150.db2.gz IHYKXKHYYWUYHL-SNVBAGLBSA-N 0 1 302.338 0.455 50 0 DCAAMN CC(=O)Nc1ccc(OCCN2CCN(CCO)CC2)cc1 ZINC000045068804 415243994 /nfs/dbraw/zinc/24/39/94/415243994.db2.gz URIFNBYHHWEOSM-UHFFFAOYSA-N 0 1 307.394 0.634 50 0 DCAAMN CCCN(CCO)CC1=C(C(=O)OCC)[C@@H](CC)NC(=O)N1 ZINC000044889298 415228441 /nfs/dbraw/zinc/22/84/41/415228441.db2.gz FKXCOEVJORUXFI-LLVKDONJSA-N 0 1 313.398 0.599 50 0 DCAAMN O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CN1CCCC1 ZINC000058196429 415343706 /nfs/dbraw/zinc/34/37/06/415343706.db2.gz UZFSGJNQBIHLLX-STQMWFEESA-N 0 1 315.439 0.443 50 0 DCAAMN CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)c1 ZINC000067934706 415388296 /nfs/dbraw/zinc/38/82/96/415388296.db2.gz IBKJLYAAHXAUSC-HOTGVXAUSA-N 0 1 316.405 0.763 50 0 DCAAMN Cc1ccc(CN(C)C(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)o1 ZINC000106869309 415651197 /nfs/dbraw/zinc/65/11/97/415651197.db2.gz ZGCXNPHCLQVQAT-KBPBESRZSA-N 0 1 323.437 0.933 50 0 DCAAMN CN1CCN2CCN(C(=O)CCc3cccc(O)c3)C[C@H]2C1 ZINC000299775117 416065678 /nfs/dbraw/zinc/06/56/78/416065678.db2.gz HFCHEICEVJGXNJ-OAHLLOKOSA-N 0 1 303.406 0.783 50 0 DCAAMN OCc1n[nH]c2c1CN(c1cc([C@@H]3CCOC3)ncn1)CC2 ZINC000299791322 416068978 /nfs/dbraw/zinc/06/89/78/416068978.db2.gz CVFHVQQVUGLWQE-SNVBAGLBSA-N 0 1 301.350 0.759 50 0 DCAAMN Cc1nn[nH]c1C(=O)N1CCN(Cc2ncccc2C)CC1 ZINC000299787728 416069444 /nfs/dbraw/zinc/06/94/44/416069444.db2.gz XJIZGEBQVPMGEA-UHFFFAOYSA-N 0 1 300.366 0.775 50 0 DCAAMN Cc1nc([C@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)n[nH]1 ZINC000216342629 416327594 /nfs/dbraw/zinc/32/75/94/416327594.db2.gz HOEPYQMKTKTRPJ-SECBINFHSA-N 0 1 320.353 0.107 50 0 DCAAMN Nc1n[nH]c(CNC2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000534645890 416505875 /nfs/dbraw/zinc/50/58/75/416505875.db2.gz FGKFZVQZKMYDQH-UHFFFAOYSA-N 0 1 300.366 0.781 50 0 DCAAMN O=C(NCCCc1nc[nH]n1)Nc1nnc(C(F)F)s1 ZINC000390835330 417099926 /nfs/dbraw/zinc/09/99/26/417099926.db2.gz LBADKFBAVCPRMC-UHFFFAOYSA-N 0 1 303.298 1.348 50 0 DCAAMN C[C@H](C(=O)NC(N)=O)N1CCN(CCc2ccccc2)CC1 ZINC000023249383 279218184 /nfs/dbraw/zinc/21/81/84/279218184.db2.gz PBUWSGGJBSYAJG-CYBMUJFWSA-N 0 1 304.394 0.430 50 0 DCAAMN C[C@H](O)CN1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C ZINC000106868096 290117540 /nfs/dbraw/zinc/11/75/40/290117540.db2.gz RDAFNZFGVMKGIS-HUBLWGQQSA-N 0 1 309.385 0.739 50 0 DCAAMN NC(=O)C1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000051186151 295036090 /nfs/dbraw/zinc/03/60/90/295036090.db2.gz LSHFXNLYGJTDIL-KGLIPLIRSA-N 0 1 309.410 0.354 50 0 DCAAMN CN(CC(=O)[O-])c1ncc(CN2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000534580928 334289331 /nfs/dbraw/zinc/28/93/31/334289331.db2.gz DIBMZSKZZKSWIC-CYBMUJFWSA-N 0 1 305.382 0.277 50 0 DCAAMN Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)cnc2cc(=O)[n-]n21 ZINC000534581841 334289636 /nfs/dbraw/zinc/28/96/36/334289636.db2.gz BVKRLHHRWNOPJQ-QWRGUYRKSA-N 0 1 301.350 0.567 50 0 DCAAMN C[C@H]1CNCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000126194701 524691694 /nfs/dbraw/zinc/69/16/94/524691694.db2.gz IGMZXVJDHRGFLC-NSHDSACASA-N 0 1 301.350 0.002 50 0 DCAAMN Cc1ccc2nc(CNS(=O)(=O)N3CCN(C)CC3)[nH]c2c1 ZINC000670437001 547089582 /nfs/dbraw/zinc/08/95/82/547089582.db2.gz VSTUWXPQLYFWCV-UHFFFAOYSA-N 0 1 323.422 0.453 50 0 DCAAMN C[NH+](C)CCN1CCN(c2[nH+]cnc3[nH]ccc32)CCC1=O ZINC000670465087 547099559 /nfs/dbraw/zinc/09/95/59/547099559.db2.gz LAOKGGJYXWQCGG-UHFFFAOYSA-N 0 1 302.382 0.558 50 0 DCAAMN COCc1cc(CNc2nc(N(C)C)nc3c2CCNC3)[nH]n1 ZINC000067446713 662095178 /nfs/dbraw/zinc/09/51/78/662095178.db2.gz CHEXVSJMLHNSBQ-UHFFFAOYSA-N 0 1 317.397 0.670 50 0 DCAAMN N[C@]1(C(=O)[O-])CC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000067821866 663362038 /nfs/dbraw/zinc/36/20/38/663362038.db2.gz ZCJVFKOFWAWNPE-MRXNPFEDSA-N 0 1 300.362 0.919 50 0 DCAAMN N[C@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000067821866 663362041 /nfs/dbraw/zinc/36/20/41/663362041.db2.gz ZCJVFKOFWAWNPE-MRXNPFEDSA-N 0 1 300.362 0.919 50 0 DCAAMN CC[C@@H](NC(=O)[C@H]1CCCN(CC(N)=O)C1)c1nc(C)c[nH]1 ZINC000952963586 685598395 /nfs/dbraw/zinc/59/83/95/685598395.db2.gz JCWDBCSCZKJVMX-NWDGAFQWSA-N 0 1 307.398 0.483 50 0 DCAAMN C[C@@H](CS(=O)(=O)N(C)C)N[C@@H]1CCCc2c1cnn2C ZINC000952992391 685602630 /nfs/dbraw/zinc/60/26/30/685602630.db2.gz 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/nfs/dbraw/zinc/21/71/32/396217132.db2.gz NQFHXNNIFXWDNH-CQSZACIVSA-N 0 1 316.405 0.639 50 0 DCAAMN O=S(=O)(C1CCN(CCn2cncn2)CC1)N1CCCC1 ZINC000328658399 159017277 /nfs/dbraw/zinc/01/72/77/159017277.db2.gz QYSYYBVBUMLALV-UHFFFAOYSA-N 0 1 313.427 0.168 50 0 DCAAMN C[C@@H](Cc1ccccc1)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000132738077 196279688 /nfs/dbraw/zinc/27/96/88/196279688.db2.gz ZDMPQBQIPVZAIM-DZGCQCFKSA-N 0 1 301.390 0.508 50 0 DCAAMN NC(=O)CCS(=O)(=O)CCN1CCC[C@H]1Cc1ccccc1 ZINC000025440506 415162824 /nfs/dbraw/zinc/16/28/24/415162824.db2.gz AVMSVJMLXVECNY-HNNXBMFYSA-N 0 1 324.446 0.984 50 0 DCAAMN CC(C)C[C@@H](C)N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000027137998 415168223 /nfs/dbraw/zinc/16/82/23/415168223.db2.gz JOZIWXWCHQKGCW-SNVBAGLBSA-N 0 1 310.398 0.215 50 0 DCAAMN O[C@H](CNc1ccc2nncn2n1)CN1CCc2ccccc2C1 ZINC000044978665 415239434 /nfs/dbraw/zinc/23/94/34/415239434.db2.gz ZFTJYERATNCALL-OAHLLOKOSA-N 0 1 324.388 0.955 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCSC2=O)C1 ZINC000044874984 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ZINC000670447687 547094712 /nfs/dbraw/zinc/09/47/12/547094712.db2.gz VQEZSZUWIZQJIS-UHFFFAOYSA-N 0 1 315.308 0.884 50 0 DCAAMN CN1CCCC[C@H]1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000681941070 548329086 /nfs/dbraw/zinc/32/90/86/548329086.db2.gz IPEAUDOCPKJOTJ-NRXISQOPSA-N 0 1 323.437 0.915 50 0 DCAAMN CN1CCCC[C@H]1C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1 ZINC000681941070 548329089 /nfs/dbraw/zinc/32/90/89/548329089.db2.gz IPEAUDOCPKJOTJ-NRXISQOPSA-N 0 1 323.437 0.915 50 0 DCAAMN CC(C)(C)c1nc(N)nc(N2CCN(CCO)C(C)(C)C2)n1 ZINC000871100829 664725164 /nfs/dbraw/zinc/72/51/64/664725164.db2.gz BXRQPYSTXQDOCW-UHFFFAOYSA-N 0 1 308.430 0.644 50 0 DCAAMN CNC(=O)[C@@H](C)CN(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000154993287 665218118 /nfs/dbraw/zinc/21/81/18/665218118.db2.gz DCUOAEGTUGZRHV-JTQLQIEISA-N 0 1 301.350 0.926 50 0 DCAAMN CCO[C@H](CS(=O)(=O)N1CC[C@H](c2nc[nH]n2)C1)C1CC1 ZINC000859199814 671081966 /nfs/dbraw/zinc/08/19/66/671081966.db2.gz SMEPGSNFZWFHGI-NWDGAFQWSA-N 0 1 314.411 0.739 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)N2CC(c3ccccn3)C2)C1 ZINC000952973033 685600432 /nfs/dbraw/zinc/60/04/32/685600432.db2.gz RCXJVHKQWKGDQQ-GFCCVEGCSA-N 0 1 302.378 0.205 50 0 DCAAMN Cc1nnnn1CCC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 ZINC000952988707 685602921 /nfs/dbraw/zinc/60/29/21/685602921.db2.gz RSDPCLBAENAQCT-MRVPVSSYSA-N 0 1 315.337 0.940 50 0 DCAAMN Cc1[nH]nc(CCC(=O)NCCSc2nncn2C)c1C ZINC000827822496 758888216 /nfs/dbraw/zinc/88/82/16/758888216.db2.gz ZKHMSBUOCLSEKF-UHFFFAOYSA-N 0 1 308.411 0.996 50 0 DCAAMN Cn1nccc1C(=O)N1CCC[C@H](CN2CCOCC2)CC1 ZINC000581788166 760247929 /nfs/dbraw/zinc/24/79/29/760247929.db2.gz WLSKIFFSAXKICG-AWEZNQCLSA-N 0 1 306.410 0.995 50 0 DCAAMN CCC(C)(C)C(=O)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000585122374 766287743 /nfs/dbraw/zinc/28/77/43/766287743.db2.gz YSAHLYWVDXEZGN-ZDUSSCGKSA-N 0 1 323.437 0.932 50 0 DCAAMN C[C@@](O)(CN1CCC[C@H](N2CCNCC2=O)C1)C(F)(F)F ZINC000952877366 768941878 /nfs/dbraw/zinc/94/18/78/768941878.db2.gz OZAUOBKIZXCOFS-CMPLNLGQSA-N 0 1 309.332 0.196 50 0 DCAAMN Cc1nnnn1-c1cccc(C(=O)N2CCCN(C)CC2)c1 ZINC000095479850 185373486 /nfs/dbraw/zinc/37/34/86/185373486.db2.gz FPIOPBWVOZPNKE-UHFFFAOYSA-N 0 1 300.366 0.748 50 0 DCAAMN C[C@@H](O)[C@H](N)C(=O)N1CCC(c2nccn2CC2CC2)CC1 ZINC000095498932 185374708 /nfs/dbraw/zinc/37/47/08/185374708.db2.gz HNCUMSYLAVTIFC-RISCZKNCSA-N 0 1 306.410 0.707 50 0 DCAAMN CN(Cc1nn[nH]n1)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000078914737 185128296 /nfs/dbraw/zinc/12/82/96/185128296.db2.gz NNSYUJZIBSOUEJ-SNVBAGLBSA-N 0 1 324.410 0.250 50 0 DCAAMN CCn1cc(CCN2CCCC[C@@H]2CNS(C)(=O)=O)cn1 ZINC000328591168 231233789 /nfs/dbraw/zinc/23/37/89/231233789.db2.gz KSLMZZJGQWHLKS-CQSZACIVSA-N 0 1 314.455 0.849 50 0 DCAAMN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1nc(N)cc[nH+]1)CC2 ZINC000082096607 192355685 /nfs/dbraw/zinc/35/56/85/192355685.db2.gz QETADQILNWAAOJ-NSHDSACASA-N 0 1 319.365 0.351 50 0 DCAAMN CCCc1cc(C(=O)NCCN2CCCC[C@H]2CO)n(C)n1 ZINC000082156491 192362988 /nfs/dbraw/zinc/36/29/88/192362988.db2.gz 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/nfs/dbraw/zinc/85/04/42/395850442.db2.gz RGWVKUOEQVPFKS-AWEZNQCLSA-N 0 1 323.441 0.204 50 0 DCAAMN CCOCC(=O)N1CCC(C(=O)N[C@@H](C)c2n[nH]c(C)n2)CC1 ZINC000221380974 395851340 /nfs/dbraw/zinc/85/13/40/395851340.db2.gz PCKQMUGOZYSUNR-JTQLQIEISA-N 0 1 323.397 0.565 50 0 DCAAMN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ncn[nH]1 ZINC000223096296 395854453 /nfs/dbraw/zinc/85/44/53/395854453.db2.gz YVGNQCCHMIBKFX-ZJUUUORDSA-N 0 1 309.351 0.365 50 0 DCAAMN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1nc[nH]n1 ZINC000223096296 395854457 /nfs/dbraw/zinc/85/44/57/395854457.db2.gz YVGNQCCHMIBKFX-ZJUUUORDSA-N 0 1 309.351 0.365 50 0 DCAAMN Cc1nnc(SCCNC(=O)COC[C@@H]2CCCO2)[nH]1 ZINC000223587014 395856106 /nfs/dbraw/zinc/85/61/06/395856106.db2.gz HPVMJBYYYOKDFD-JTQLQIEISA-N 0 1 300.384 0.517 50 0 DCAAMN CC(=O)N1CCCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000052310462 395862767 /nfs/dbraw/zinc/86/27/67/395862767.db2.gz HRFCEPVJABAXLC-UHFFFAOYSA-N 0 1 310.398 0.261 50 0 DCAAMN CC[C@@H]1CN(C(=O)CN2CCC[C@@H](Cn3cncn3)C2)CCO1 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302.378 0.899 50 0 DCAAMN CN1CC[C@H](C(=O)N2CCC(CCN3CCOCC3)CC2)C1=O ZINC000170598776 396094925 /nfs/dbraw/zinc/09/49/25/396094925.db2.gz FRHFRCDIFCYIMT-HNNXBMFYSA-N 0 1 323.437 0.426 50 0 DCAAMN O=C(c1ccn[nH]1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000070016053 396098279 /nfs/dbraw/zinc/09/82/79/396098279.db2.gz IEKLJGNTRBWOOL-HNNXBMFYSA-N 0 1 300.362 0.901 50 0 DCAAMN C[C@H]1CN(C2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CCO1 ZINC000071821643 396116288 /nfs/dbraw/zinc/11/62/88/396116288.db2.gz FJUZAUCZIIWKRW-LBPRGKRZSA-N 0 1 322.409 0.306 50 0 DCAAMN C[C@@H](O)CN1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000071877157 396121340 /nfs/dbraw/zinc/12/13/40/396121340.db2.gz ZVPQBHUFLXQWOG-ABAIWWIYSA-N 0 1 300.349 0.997 50 0 DCAAMN COc1cccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H](O)C3)n[nH]2)c1 ZINC000072132067 396127390 /nfs/dbraw/zinc/12/73/90/396127390.db2.gz VMDPNHFBJFODBJ-GJZGRUSLSA-N 0 1 317.345 0.653 50 0 DCAAMN C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000075104629 396175635 /nfs/dbraw/zinc/17/56/35/396175635.db2.gz DMTOTYGHDIYSAW-SNVBAGLBSA-N 0 1 301.350 0.946 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(C(=O)CCn3ccnn3)CCO2)n1 ZINC000078889559 396256121 /nfs/dbraw/zinc/25/61/21/396256121.db2.gz GWOYZQJXGJOGSY-LLVKDONJSA-N 0 1 319.369 0.510 50 0 DCAAMN CC(C)c1nc([C@H]2CN(C(=O)CCn3ccnn3)CCO2)n[nH]1 ZINC000078889559 396256123 /nfs/dbraw/zinc/25/61/23/396256123.db2.gz GWOYZQJXGJOGSY-LLVKDONJSA-N 0 1 319.369 0.510 50 0 DCAAMN CCCc1nc([C@H]2CN(Cc3nnnn3CCC)CCO2)n[nH]1 ZINC000078893297 396257188 /nfs/dbraw/zinc/25/71/88/396257188.db2.gz YYEZLTJIKXOQQY-LLVKDONJSA-N 0 1 320.401 0.727 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(Cc3nnnn3CCC)CCO2)n1 ZINC000078893297 396257192 /nfs/dbraw/zinc/25/71/92/396257192.db2.gz YYEZLTJIKXOQQY-LLVKDONJSA-N 0 1 320.401 0.727 50 0 DCAAMN O=C(COCc1nc2ccc(F)cc2[nH]1)N1CCOC[C@@H](O)C1 ZINC000077504639 396225173 /nfs/dbraw/zinc/22/51/73/396225173.db2.gz OSQMWEOLQSAVOM-NSHDSACASA-N 0 1 323.324 0.438 50 0 DCAAMN Cc1cc(C)n(CCN2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)n1 ZINC000084104728 396318666 /nfs/dbraw/zinc/31/86/66/396318666.db2.gz UTAWKGRNENGKHI-MRXNPFEDSA-N 0 1 319.409 0.905 50 0 DCAAMN COc1cccc(CNC(=O)CN(C[C@@H](C)O)[C@@H](C)CO)c1 ZINC000190808211 396411600 /nfs/dbraw/zinc/41/16/00/396411600.db2.gz AFVUBKBRORSHBT-QWHCGFSZSA-N 0 1 310.394 0.375 50 0 DCAAMN O=S(=O)(CC1CCCC1)NCCCN1CCC(O)CC1 ZINC000305204765 396739826 /nfs/dbraw/zinc/73/98/26/396739826.db2.gz MMHAGIKXLUPMGA-UHFFFAOYSA-N 0 1 304.456 0.943 50 0 DCAAMN O=S(=O)(C[C@H]1CNCCO1)N(Cc1ccccc1)C1CC1 ZINC000383665033 397278892 /nfs/dbraw/zinc/27/88/92/397278892.db2.gz RPNUTRGXYDFNRE-OAHLLOKOSA-N 0 1 310.419 0.969 50 0 DCAAMN C[C@H]1CNCCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000125854453 158259270 /nfs/dbraw/zinc/25/92/70/158259270.db2.gz YXRVSMJGSNDHSL-AWEZNQCLSA-N 0 1 303.406 0.953 50 0 DCAAMN O=C(NCCCO)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000008791923 415144669 /nfs/dbraw/zinc/14/46/69/415144669.db2.gz KYMRZDITJWISAV-JTQLQIEISA-N 0 1 304.354 0.068 50 0 biogenic DCAAMN CCOC(=O)[C@H]1CCCN(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000026898126 415170920 /nfs/dbraw/zinc/17/09/20/415170920.db2.gz LZGWVFHDPJDBQA-NSHDSACASA-N 0 1 311.382 0.592 50 0 DCAAMN C[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)n1cncn1 ZINC000044953613 415237469 /nfs/dbraw/zinc/23/74/69/415237469.db2.gz DLQFHUKFCSAQOU-ZDUSSCGKSA-N 0 1 307.398 0.410 50 0 DCAAMN CN1CCN(c2cc(CNC(=O)Nc3cn[nH]c3)ccn2)CC1 ZINC000048286391 415288559 /nfs/dbraw/zinc/28/85/59/415288559.db2.gz UFXZTIMRRDKYRC-UHFFFAOYSA-N 0 1 315.381 0.878 50 0 DCAAMN Cc1n[nH]cc1CNCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000097159638 415584951 /nfs/dbraw/zinc/58/49/51/415584951.db2.gz MBBPVIRWNRITHD-PHIMTYICSA-N 0 1 316.427 0.247 50 0 DCAAMN Cc1cc2nc(C[N@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)cc(=O)n2[n-]1 ZINC000101797591 415596595 /nfs/dbraw/zinc/59/65/95/415596595.db2.gz HBRRFPPOWQAODZ-OAHLLOKOSA-N 0 1 317.349 0.358 50 0 DCAAMN Cc1cc2nc(C[N@@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)cc(=O)n2[n-]1 ZINC000101797591 415596604 /nfs/dbraw/zinc/59/66/04/415596604.db2.gz HBRRFPPOWQAODZ-OAHLLOKOSA-N 0 1 317.349 0.358 50 0 DCAAMN C[C@@H]1C[C@H](C)CN(CCNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000107573320 415666312 /nfs/dbraw/zinc/66/63/12/415666312.db2.gz YXQXCMVCSGFHPF-XQQFMLRXSA-N 0 1 317.455 0.451 50 0 DCAAMN COc1ccc2nc(CNC(=O)CNC(=O)N(C)C)[nH]c2c1 ZINC000299756509 416064181 /nfs/dbraw/zinc/06/41/81/416064181.db2.gz DGUQRERKCIRIPW-UHFFFAOYSA-N 0 1 305.338 0.459 50 0 DCAAMN CCCCNC(=O)[C@@H](C)N1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116194 416517999 /nfs/dbraw/zinc/51/79/99/416517999.db2.gz KTRCZNVLWYEIQB-MNOVXSKESA-N 0 1 307.398 0.859 50 0 DCAAMN C[C@@H]1CCCN(CCNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000240407424 533684833 /nfs/dbraw/zinc/68/48/33/533684833.db2.gz FMCSATAFCSYAIG-RDBSUJKOSA-N 0 1 319.471 0.662 50 0 DCAAMN CC(C)c1nn(C)c(N(C)C)c1CNCCNS(C)(=O)=O ZINC000065496900 278091977 /nfs/dbraw/zinc/09/19/77/278091977.db2.gz SPXXWTXTXVLTOR-UHFFFAOYSA-N 0 1 317.459 0.248 50 0 DCAAMN CC(C)(CN(CCO)CCO)NS(=O)(=O)c1ccccc1 ZINC000003179619 278609627 /nfs/dbraw/zinc/60/96/27/278609627.db2.gz CYVICLMYNZPEBA-UHFFFAOYSA-N 0 1 316.423 0.030 50 0 DCAAMN CCN1CCC[C@@H](NS(=O)(=O)N2CCC(OC)CC2)C1 ZINC000534583479 334290078 /nfs/dbraw/zinc/29/00/78/334290078.db2.gz GQNBSECGAWUTNR-GFCCVEGCSA-N 0 1 305.444 0.416 50 0 DCAAMN CN1CCN(CC2(CNc3ccc(C(N)=O)cn3)CC2)CC1 ZINC000534655937 334313660 /nfs/dbraw/zinc/31/36/60/334313660.db2.gz FGQCWTFZMZTBGI-UHFFFAOYSA-N 0 1 303.410 0.620 50 0 DCAAMN C[C@H](CNC(=O)N1CCN(C2CCOCC2)CC1)n1ccnc1 ZINC000534666147 334318929 /nfs/dbraw/zinc/31/89/29/334318929.db2.gz ABARPDKBHYQIQL-CQSZACIVSA-N 0 1 321.425 0.950 50 0 DCAAMN C[C@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)C[C@H](C)N1 ZINC000299738992 533893880 /nfs/dbraw/zinc/89/38/80/533893880.db2.gz JILVLAXRUWFQJQ-RYUDHWBXSA-N 0 1 300.366 0.544 50 0 DCAAMN CN(Cc1nnc(C2CC2)o1)[C@@H]1CCN(CCn2cncn2)C1 ZINC000083867877 545698318 /nfs/dbraw/zinc/69/83/18/545698318.db2.gz LRSWAKKTTCPJPD-CYBMUJFWSA-N 0 1 317.397 0.745 50 0 DCAAMN CC(=O)N1CCCN([C@@H]2CN(Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000084286721 545700506 /nfs/dbraw/zinc/70/05/06/545700506.db2.gz VWIVQZBCUUJMHO-IUODEOHRSA-N 0 1 321.425 0.753 50 0 DCAAMN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(CCn2cccn2)C1 ZINC000084281253 545700864 /nfs/dbraw/zinc/70/08/64/545700864.db2.gz RSXAIZOUDYEFPN-AWEZNQCLSA-N 0 1 318.381 0.698 50 0 DCAAMN CC(C)c1nnc([C@@H]2CN(C[C@H](O)Cn3cccn3)CCO2)[nH]1 ZINC000084630889 545701726 /nfs/dbraw/zinc/70/17/26/545701726.db2.gz KVILTWLDAVGRQI-STQMWFEESA-N 0 1 320.397 0.559 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(C[C@H](O)Cn3cccn3)CCO2)n[nH]1 ZINC000084630889 545701730 /nfs/dbraw/zinc/70/17/30/545701730.db2.gz KVILTWLDAVGRQI-STQMWFEESA-N 0 1 320.397 0.559 50 0 DCAAMN Cc1cccc(NC[C@H]2C[C@H](c3nn(C)c(=O)n3C)C[C@H]2O)n1 ZINC000685941503 548746852 /nfs/dbraw/zinc/74/68/52/548746852.db2.gz XZDPDUBPBYVPEM-YNEHKIRRSA-N 0 1 317.393 0.789 50 0 DCAAMN Cn1ccnc1[C@H](O)C1CCN(CCn2cc[nH]c2=O)CC1 ZINC000252508527 660646860 /nfs/dbraw/zinc/64/68/60/660646860.db2.gz XOQIXFTUYDFYLK-CYBMUJFWSA-N 0 1 305.382 0.356 50 0 DCAAMN O[C@H]1CN(Cc2cccc3nonc32)C[C@@H]1N1CCOCC1 ZINC000023373740 658780452 /nfs/dbraw/zinc/78/04/52/658780452.db2.gz HUAGVCGJOPPGGL-KBPBESRZSA-N 0 1 304.350 0.100 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)N2CCC3(CCCO3)CC2)C1 ZINC000952967859 685598704 /nfs/dbraw/zinc/59/87/04/685598704.db2.gz MLZRNYQLMCAIOD-CYBMUJFWSA-N 0 1 309.410 0.355 50 0 DCAAMN Cc1cc(N)n(CC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)n1 ZINC000952982585 685601838 /nfs/dbraw/zinc/60/18/38/685601838.db2.gz BEPNEGZYTGOASP-CQSZACIVSA-N 0 1 321.425 0.079 50 0 DCAAMN OCCC[C@@H]1CN(c2ncccn2)CC[C@@H]1N1CCOCC1 ZINC000092097123 685106569 /nfs/dbraw/zinc/10/65/69/685106569.db2.gz RLUHYUAIVRIFJS-CABCVRRESA-N 0 1 306.410 0.776 50 0 DCAAMN Cc1cc(C[C@@H]2CN(c3nc(N)nc4nc[nH]c43)C[C@@H]2O)[nH]n1 ZINC001704302813 1179966268 /nfs/dbraw/zinc/96/62/68/1179966268.db2.gz BOFIBVYQCLWBHU-SCZZXKLOSA-N 0 1 314.353 0.006 50 0 DCAAMN CCn1cnnc1[C@@H](C)NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000823592578 758252906 /nfs/dbraw/zinc/25/29/06/758252906.db2.gz QNJZUODSZMMYEE-FRRDWIJNSA-N 0 1 309.414 0.975 50 0 DCAAMN CCn1cnnc1[C@@H](C)NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000823592578 758252915 /nfs/dbraw/zinc/25/29/15/758252915.db2.gz QNJZUODSZMMYEE-FRRDWIJNSA-N 0 1 309.414 0.975 50 0 DCAAMN Cc1cc(NCCc2noc(CO)n2)nc(N2CCCC2)n1 ZINC000828840485 759111608 /nfs/dbraw/zinc/11/16/08/759111608.db2.gz DHWJANJLCQQUPU-UHFFFAOYSA-N 0 1 304.354 0.915 50 0 DCAAMN Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nc(C)[nH+]1 ZINC000584907988 766236769 /nfs/dbraw/zinc/23/67/69/766236769.db2.gz KKAKWGAIBAKGBU-VXGBXAGGSA-N 0 1 304.350 0.463 50 0 DCAAMN O=C(CNC(=O)c1ccc(F)cc1)N1CC(N2CCCC2)C1 ZINC000585131484 766292879 /nfs/dbraw/zinc/29/28/79/766292879.db2.gz XGLXIYWQJUTXOS-UHFFFAOYSA-N 0 1 305.353 0.862 50 0 DCAAMN Cc1c[nH]c(CN2CCC3(CC2)CN([C@H](C)C(N)=O)CCO3)n1 ZINC000952868525 768924468 /nfs/dbraw/zinc/92/44/68/768924468.db2.gz AYBNPRKZMHAHDG-CYBMUJFWSA-N 0 1 321.425 0.259 50 0 DCAAMN Cc1cnc(CN2CCC[C@@H](c3nnc(CO)n3C)C2)cn1 ZINC001529142486 1014505254 /nfs/dbraw/zinc/50/52/54/1014505254.db2.gz OZAKJPUHIOQDSE-GFCCVEGCSA-N 0 1 302.382 0.785 50 0 DCAAMN Cc1nc[nH]c1C(=O)N1CCCN(C[C@@H]2COCCO2)CC1 ZINC001529185129 1014514776 /nfs/dbraw/zinc/51/47/76/1014514776.db2.gz KKMGMBFSKQCGQE-CYBMUJFWSA-N 0 1 308.382 0.281 50 0 DCAAMN Cc1cc(C(=O)[O-])nc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001506419501 1017265845 /nfs/dbraw/zinc/26/58/45/1017265845.db2.gz DCFGKELFWSQFHG-NSHDSACASA-N 0 1 321.381 0.483 50 0 DCAAMN COCCN1C[C@H](CNc2cc(N)nc(SC)n2)CC1=O ZINC001506426450 1017269968 /nfs/dbraw/zinc/26/99/68/1017269968.db2.gz HCGZDCSVRPDUBX-VIFPVBQESA-N 0 1 311.411 0.688 50 0 DCAAMN CCn1cc(CCN2CCCC[C@H]2CNS(C)(=O)=O)cn1 ZINC000328591167 231234077 /nfs/dbraw/zinc/23/40/77/231234077.db2.gz KSLMZZJGQWHLKS-AWEZNQCLSA-N 0 1 314.455 0.849 50 0 DCAAMN Cn1cc([C@H](CO)Nc2cc(-n3cccn3)nc(N)n2)cn1 ZINC000092925523 185349681 /nfs/dbraw/zinc/34/96/81/185349681.db2.gz IECQIUSRWBSQLW-JTQLQIEISA-N 0 1 300.326 0.124 50 0 DCAAMN Cc1cc(C)n(C[C@H]2CCCN2CC(=O)N2CCNC2=O)n1 ZINC000069919416 190837796 /nfs/dbraw/zinc/83/77/96/190837796.db2.gz JYIVVRSMLPPPJN-CYBMUJFWSA-N 0 1 305.382 0.516 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)c3cnc(C)cn3)CCO2)n[nH]1 ZINC000083830048 192385014 /nfs/dbraw/zinc/38/50/14/192385014.db2.gz GPNBOKRCNNJMKI-LLVKDONJSA-N 0 1 302.338 0.679 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)COCC(F)(F)F)CCO2)n[nH]1 ZINC000083829905 192385636 /nfs/dbraw/zinc/38/56/36/192385636.db2.gz QXLGRMSQSPGFQW-MRVPVSSYSA-N 0 1 322.287 0.846 50 0 DCAAMN c1csc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n1 ZINC000072173674 191069343 /nfs/dbraw/zinc/06/93/43/191069343.db2.gz OPOATCFKWUYDEG-UHFFFAOYSA-N 0 1 304.423 0.765 50 0 DCAAMN Cc1noc(C)c1CCCNC(=O)[C@@H]1NCCc2[nH]cnc21 ZINC000072427812 191161693 /nfs/dbraw/zinc/16/16/93/191161693.db2.gz YDRAZMGGNCIZKM-CQSZACIVSA-N 0 1 303.366 0.950 50 0 DCAAMN CC1(C)NC(=O)N(CCCN2CC[C@](O)(C(F)(F)F)C2)C1=O ZINC000081051944 192220194 /nfs/dbraw/zinc/22/01/94/192220194.db2.gz VXQUKHVMWUABGQ-GFCCVEGCSA-N 0 1 323.315 0.706 50 0 DCAAMN CC(C)c1noc(CN2CC[C@@]3(C2)CCCN(CCO)C3=O)n1 ZINC000091503775 193066270 /nfs/dbraw/zinc/06/62/70/193066270.db2.gz NHVPSQYAVASWRA-MRXNPFEDSA-N 0 1 322.409 1.000 50 0 DCAAMN CNC(=O)NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000017306054 182082357 /nfs/dbraw/zinc/08/23/57/182082357.db2.gz NHGHYWIQDBBMTI-NSHDSACASA-N 0 1 316.365 0.716 50 0 DCAAMN CCCN1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000023477127 182361673 /nfs/dbraw/zinc/36/16/73/182361673.db2.gz FBUXFQWGEZCYCH-UHFFFAOYSA-N 0 1 304.394 0.752 50 0 DCAAMN CCCc1cc(C(=O)N2CCC[C@H](C(=O)NCCCO)C2)n[nH]1 ZINC000055414164 183986726 /nfs/dbraw/zinc/98/67/26/183986726.db2.gz JXDFYIFIJCOLRY-LBPRGKRZSA-N 0 1 322.409 0.713 50 0 DCAAMN O=C(c1ccnc(-n2cncn2)c1)N1CCN(CC2CC2)CC1 ZINC000057356232 184036319 /nfs/dbraw/zinc/03/63/19/184036319.db2.gz HOLRBABPKMEXHZ-UHFFFAOYSA-N 0 1 312.377 0.830 50 0 DCAAMN Cc1nc(C)c(CC(=O)N2CCN3CCN(C)C[C@@H]3C2)s1 ZINC000065372040 184330219 /nfs/dbraw/zinc/33/02/19/184330219.db2.gz DHIFFOKYGMGXTA-CYBMUJFWSA-N 0 1 308.451 0.761 50 0 DCAAMN O=C([O-])[C@]12CN(C(=O)C3CC3)C[C@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000065405270 184337802 /nfs/dbraw/zinc/33/78/02/184337802.db2.gz ITBRIGIQIORMKF-RHSMWYFYSA-N 0 1 315.373 0.837 50 0 DCAAMN O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119890565 195056984 /nfs/dbraw/zinc/05/69/84/195056984.db2.gz QUFFEWBLDLLWIN-ZDUSSCGKSA-N 0 1 315.377 0.769 50 0 DCAAMN CC[N@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000242688101 285254616 /nfs/dbraw/zinc/25/46/16/285254616.db2.gz VFTQFIAOSCQNOF-XRMRDTNMSA-N 0 1 306.362 0.337 50 0 DCAAMN CN1C(=O)C[C@@H](C(=O)NCCCc2nn[nH]n2)c2ccccc21 ZINC000426690220 257244303 /nfs/dbraw/zinc/24/43/03/257244303.db2.gz CVPOLSHSUGXKPL-LLVKDONJSA-N 0 1 314.349 0.399 50 0 DCAAMN C[C@@H](NC(=O)N(C)Cc1n[nH]c2c1CCC2)c1nncn1C ZINC000426491365 257248564 /nfs/dbraw/zinc/24/85/64/257248564.db2.gz FJAWBSXTEIBOFM-SECBINFHSA-N 0 1 303.370 0.930 50 0 DCAAMN O=C(COCc1nc2ccccc2[nH]1)NCCc1c[nH]nn1 ZINC000426422885 257251232 /nfs/dbraw/zinc/25/12/32/257251232.db2.gz KIFRYGWZDFUUJV-UHFFFAOYSA-N 0 1 300.322 0.557 50 0 DCAAMN O=C(COCc1nc2ccccc2[nH]1)NCCc1cnn[nH]1 ZINC000426422885 257251234 /nfs/dbraw/zinc/25/12/34/257251234.db2.gz KIFRYGWZDFUUJV-UHFFFAOYSA-N 0 1 300.322 0.557 50 0 DCAAMN C[N@H+]1C[C@H]2CN(C(=O)Cc3cc(F)ccc3F)C[C@@]2(C(=O)[O-])C1 ZINC000426370442 257253194 /nfs/dbraw/zinc/25/31/94/257253194.db2.gz ZUBZSJWMXAIUOW-ZBEGNZNMSA-N 0 1 324.327 0.982 50 0 DCAAMN COCCCNC(=O)C(=O)Nc1n[nH]c2nc(C)cc(C)c12 ZINC000009059638 395685234 /nfs/dbraw/zinc/68/52/34/395685234.db2.gz IJFRBRBTANSROH-UHFFFAOYSA-N 0 1 305.338 0.666 50 0 DCAAMN CC1CCN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC1 ZINC000013116791 395688420 /nfs/dbraw/zinc/68/84/20/395688420.db2.gz FHKSCSVONFGGPH-UHFFFAOYSA-N 0 1 307.379 0.997 50 0 DCAAMN NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000000387221 395680270 /nfs/dbraw/zinc/68/02/70/395680270.db2.gz NKCZDRXBLFMWCM-UHFFFAOYSA-N 0 1 301.331 0.686 50 0 DCAAMN O=C(NCCNC(=O)c1cccnc1)c1[nH]nc2c1CCCC2 ZINC000096132357 395745817 /nfs/dbraw/zinc/74/58/17/395745817.db2.gz CFUWDLJTVOHHFQ-UHFFFAOYSA-N 0 1 313.361 0.843 50 0 DCAAMN C[C@H](CCc1cccn1C)NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000096440120 395753172 /nfs/dbraw/zinc/75/31/72/395753172.db2.gz WYNPVGHFEOUGQP-GDBMZVCRSA-N 0 1 321.469 0.891 50 0 DCAAMN C[C@H]1CN(S(=O)(=O)CCNCc2cc[nH]c2)C[C@H](C)O1 ZINC000096454140 395753778 /nfs/dbraw/zinc/75/37/78/395753778.db2.gz VFVIVKGEYUUTHM-RYUDHWBXSA-N 0 1 301.412 0.543 50 0 DCAAMN O=C(CCN1CCN(Cc2cccnc2)CC1)N1CCOCC1 ZINC000096485788 395753976 /nfs/dbraw/zinc/75/39/76/395753976.db2.gz KQDFOYIBCLPDFG-UHFFFAOYSA-N 0 1 318.421 0.448 50 0 DCAAMN Cc1nc(N2CCN(Cc3cc(C4CC4)[nH]n3)C[C@H](O)C2)no1 ZINC000097674114 395759587 /nfs/dbraw/zinc/75/95/87/395759587.db2.gz PTZDLYNVJODBCH-ZDUSSCGKSA-N 0 1 318.381 0.662 50 0 DCAAMN Cn1nc2n(c1=O)C[C@@H](c1n[nH]c(C3CCOCC3)n1)CC2 ZINC000097805701 395760985 /nfs/dbraw/zinc/76/09/85/395760985.db2.gz LZKVLQWQXXZTMC-JTQLQIEISA-N 0 1 304.354 0.324 50 0 DCAAMN Cc1nc(N)ncc1C(=O)N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000218976716 395843449 /nfs/dbraw/zinc/84/34/49/395843449.db2.gz WFHQXRLRUFDJQV-ZDUSSCGKSA-N 0 1 319.409 0.286 50 0 DCAAMN CCO[C@H]1CN(C(=O)c2ccccc2-c2nnc[nH]2)C[C@@H]1O ZINC000218981453 395844069 /nfs/dbraw/zinc/84/40/69/395844069.db2.gz TZRCBJNIBBZUIS-STQMWFEESA-N 0 1 302.334 0.694 50 0 DCAAMN CN(CC(=O)NC[C@@H]1CN(C)CCN1C)Cc1ccccc1F ZINC000219566744 395846354 /nfs/dbraw/zinc/84/63/54/395846354.db2.gz BMVXFLLDLSQANM-OAHLLOKOSA-N 0 1 322.428 0.620 50 0 DCAAMN CN(C)C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CO)o1)C2 ZINC000219914166 395847082 /nfs/dbraw/zinc/84/70/82/395847082.db2.gz OTXBBSPHYNOBRS-MRXNPFEDSA-N 0 1 320.393 0.579 50 0 DCAAMN Cc1c(C(=O)N2CCNC[C@H]2C)sc2ncn(C)c(=O)c12 ZINC000124529280 395901063 /nfs/dbraw/zinc/90/10/63/395901063.db2.gz KCDMBAVNPCFUIE-MRVPVSSYSA-N 0 1 306.391 0.737 50 0 DCAAMN NC(=O)CN1CCC[C@H](C(=O)NCc2cccc3[nH]ccc32)C1 ZINC000055282811 395915256 /nfs/dbraw/zinc/91/52/56/395915256.db2.gz XETVMZBYBCBUPQ-ZDUSSCGKSA-N 0 1 314.389 0.981 50 0 DCAAMN COc1cncc([C@H](NC(=O)c2ncn[nH]2)[C@H]2C[C@H](O)C2)c1 ZINC000244795237 395925522 /nfs/dbraw/zinc/92/55/22/395925522.db2.gz RCBMWRXDNJJYCC-HLUHBDAQSA-N 0 1 303.322 0.450 50 0 DCAAMN COc1cncc([C@H](NC(=O)c2nc[nH]n2)[C@H]2C[C@H](O)C2)c1 ZINC000244795237 395925524 /nfs/dbraw/zinc/92/55/24/395925524.db2.gz RCBMWRXDNJJYCC-HLUHBDAQSA-N 0 1 303.322 0.450 50 0 DCAAMN C[C@H](NC(=O)CN1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1)C1CC1 ZINC000229312496 395874048 /nfs/dbraw/zinc/87/40/48/395874048.db2.gz MISFJFNXPIYAGY-KANYHAFZSA-N 0 1 322.409 0.211 50 0 DCAAMN CCc1cc(N2CC[C@@H](NC(C)=O)C2)nc(N2CCOCC2)n1 ZINC000065387558 395993187 /nfs/dbraw/zinc/99/31/87/395993187.db2.gz VLXMHFNNAMFNJE-CQSZACIVSA-N 0 1 319.409 0.590 50 0 DCAAMN CCc1cc(N(C)C[C@H]2COCCO2)nc(N2CCOCC2)n1 ZINC000065468421 395994036 /nfs/dbraw/zinc/99/40/36/395994036.db2.gz HLXVVTOXDWIQAW-AWEZNQCLSA-N 0 1 322.409 0.727 50 0 DCAAMN Cn1cc(C[C@@H]2CCN(CC(=O)NC[C@H]3CCCO3)C2)cn1 ZINC000252666095 396023804 /nfs/dbraw/zinc/02/38/04/396023804.db2.gz AMIZPUJHOSIBPB-DZGCQCFKSA-N 0 1 306.410 0.580 50 0 DCAAMN CCCCN(CCO)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000070947303 396107174 /nfs/dbraw/zinc/10/71/74/396107174.db2.gz GQDJVQRMXWKTEW-AWEZNQCLSA-N 0 1 314.426 0.883 50 0 DCAAMN CC(=O)[C@@H]1[C@@H]2[C@@H]3CO[C@@H](O3)C(=O)[C@@H]2[C@H]2C=C[C@H]3C=CC=C[C@H]3N21 ZINC000071776049 396114662 /nfs/dbraw/zinc/11/46/62/396114662.db2.gz SAATWYPBUIMNRC-FAFCJFNWSA-N 0 1 313.353 0.865 50 0 DCAAMN C[C@@H]1CN(C[C@H](O)Cn2c(CO)nc3ccccc32)C[C@H](C)O1 ZINC000071824982 396116909 /nfs/dbraw/zinc/11/69/09/396116909.db2.gz CVRLBQKPQXKUMD-MJBXVCDLSA-N 0 1 319.405 0.999 50 0 DCAAMN CC1(C)NC(=O)N(C[C@@H](O)CN2CCc3ccccc3C2)C1=O ZINC000071825012 396117121 /nfs/dbraw/zinc/11/71/21/396117121.db2.gz ZZLYDPDBPIMEBA-AWEZNQCLSA-N 0 1 317.389 0.736 50 0 DCAAMN C[C@@H](CNc1cncc(-n2cccn2)n1)N1CCN(C)CC1 ZINC000071899575 396124592 /nfs/dbraw/zinc/12/45/92/396124592.db2.gz YYXCXCHTDSZKKR-ZDUSSCGKSA-N 0 1 301.398 0.710 50 0 DCAAMN CC(C)(O)CN1CCN(C(=O)CCNCC(F)(F)F)CC1 ZINC000072269919 396128720 /nfs/dbraw/zinc/12/87/20/396128720.db2.gz WGUMGBKJSXRSEW-UHFFFAOYSA-N 0 1 311.348 0.444 50 0 DCAAMN Cc1cc(C[C@@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)n[nH]1 ZINC000162450632 396080972 /nfs/dbraw/zinc/08/09/72/396080972.db2.gz BGTNXDDYTMMSIS-MRVPVSSYSA-N 0 1 307.354 0.096 50 0 DCAAMN COc1cc(C)nc(N2CCN(C(=O)CN(C)C3CC3)CC2)n1 ZINC000069627916 396085370 /nfs/dbraw/zinc/08/53/70/396085370.db2.gz BWMHCZKSIZBZNV-UHFFFAOYSA-N 0 1 319.409 0.536 50 0 DCAAMN O=C1C[C@@H](NCc2cccnc2)CN1CCN1CCOCC1 ZINC000177353615 396172758 /nfs/dbraw/zinc/17/27/58/396172758.db2.gz YAZBEHZHIUBVRW-OAHLLOKOSA-N 0 1 304.394 0.104 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)n[nH]1 ZINC000076044698 396192985 /nfs/dbraw/zinc/19/29/85/396192985.db2.gz INWRUWJIXJAWNA-NSHDSACASA-N 0 1 303.322 0.026 50 0 DCAAMN C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1N(C)C ZINC000076051694 396194273 /nfs/dbraw/zinc/19/42/73/396194273.db2.gz PGGLOANQJWUDPO-VHSXEESVSA-N 0 1 300.380 0.705 50 0 DCAAMN C[C@H](NCCC(=O)N1CCOCC1)c1nnc2ccccn21 ZINC000182709954 396252488 /nfs/dbraw/zinc/25/24/88/396252488.db2.gz IMRCQVHYPDWTQR-LBPRGKRZSA-N 0 1 303.366 0.629 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n1 ZINC000078889269 396256191 /nfs/dbraw/zinc/25/61/91/396256191.db2.gz IYGMAJURYBHRLU-GFCCVEGCSA-N 0 1 318.381 0.804 50 0 DCAAMN CC(C)c1nc([C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n[nH]1 ZINC000078889269 396256194 /nfs/dbraw/zinc/25/61/94/396256194.db2.gz IYGMAJURYBHRLU-GFCCVEGCSA-N 0 1 318.381 0.804 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n[nH]1 ZINC000078888840 396256436 /nfs/dbraw/zinc/25/64/36/396256436.db2.gz IHISPVCFGYBEPF-LBPRGKRZSA-N 0 1 318.381 0.944 50 0 DCAAMN CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc2ccnn2c1C ZINC000584901708 396636909 /nfs/dbraw/zinc/63/69/09/396636909.db2.gz WMSJSZNULMVSBS-STQMWFEESA-N 0 1 303.366 0.487 50 0 DCAAMN O=C(c1ccc(Cl)cn1)N1CCC(O)(c2nn[nH]n2)CC1 ZINC000585142182 396642235 /nfs/dbraw/zinc/64/22/35/396642235.db2.gz RADLEEBODLOVHW-UHFFFAOYSA-N 0 1 308.729 0.372 50 0 DCAAMN Cc1nnc(NC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)[nH]1 ZINC000023505792 415158094 /nfs/dbraw/zinc/15/80/94/415158094.db2.gz KUNWDDKGQPZIGU-UHFFFAOYSA-N 0 1 316.369 0.874 50 0 DCAAMN Cc1n[nH]c(NC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)n1 ZINC000023505792 415158103 /nfs/dbraw/zinc/15/81/03/415158103.db2.gz KUNWDDKGQPZIGU-UHFFFAOYSA-N 0 1 316.369 0.874 50 0 DCAAMN COC[C@H](C)NC(=O)CN1CCN(CCc2ccccc2)CC1 ZINC000025355676 415163183 /nfs/dbraw/zinc/16/31/83/415163183.db2.gz SAMBTHUVVYXKGD-INIZCTEOSA-N 0 1 319.449 0.998 50 0 DCAAMN COCCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009059742 415146588 /nfs/dbraw/zinc/14/65/88/415146588.db2.gz BBRIJCACMVFPPF-NSHDSACASA-N 0 1 318.381 0.722 50 0 DCAAMN CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCC1 ZINC000052908452 415318316 /nfs/dbraw/zinc/31/83/16/415318316.db2.gz SQKYYYYCNACBCW-UHFFFAOYSA-N 0 1 308.382 0.113 50 0 DCAAMN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000095954116 415563455 /nfs/dbraw/zinc/56/34/55/415563455.db2.gz ITBFUHAHNOTIFO-LLVKDONJSA-N 0 1 311.407 0.466 50 0 DCAAMN Cc1cc(NC(=O)CN2CCN(C[C@H](C)O)[C@H](C)C2)n(C)n1 ZINC000247021896 416332593 /nfs/dbraw/zinc/33/25/93/416332593.db2.gz CRUPMFZLSFREGK-OLZOCXBDSA-N 0 1 309.414 0.054 50 0 DCAAMN Cc1cc(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)cc(=O)[nH]1 ZINC000215286401 416326976 /nfs/dbraw/zinc/32/69/76/416326976.db2.gz PODYNHHUXDKHIE-UHFFFAOYSA-N 0 1 324.344 0.836 50 0 DCAAMN Cc1cc(C(=O)NCCc2n[nH]c(-c3cccnc3)n2)cc(=O)[nH]1 ZINC000215286401 416326977 /nfs/dbraw/zinc/32/69/77/416326977.db2.gz PODYNHHUXDKHIE-UHFFFAOYSA-N 0 1 324.344 0.836 50 0 DCAAMN O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CCNCC1 ZINC000583648208 416480642 /nfs/dbraw/zinc/48/06/42/416480642.db2.gz FTUGMLCGQYHIEZ-CQSZACIVSA-N 0 1 313.361 0.595 50 0 DCAAMN Nc1nnc(CNC2CCN(C(=O)[C@H]3CCCO3)CC2)s1 ZINC000584890925 416515648 /nfs/dbraw/zinc/51/56/48/416515648.db2.gz TWYNAIPLHHUCRK-SNVBAGLBSA-N 0 1 311.411 0.380 50 0 DCAAMN 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323.316 0.939 50 0 DCAAMN O=C(NC1CCS(=O)(=O)CC1)c1ccccc1-c1nnc[nH]1 ZINC000670438302 547091140 /nfs/dbraw/zinc/09/11/40/547091140.db2.gz BMIHSRHHEUEETG-UHFFFAOYSA-N 0 1 320.374 0.779 50 0 DCAAMN Cc1nc([C@@H]2OCC[C@@H]2NC(=O)c2cc(C3CC3)n(C)n2)n[nH]1 ZINC000685941546 548746938 /nfs/dbraw/zinc/74/69/38/548746938.db2.gz DBDUWCWLMUTQSB-GXFFZTMASA-N 0 1 316.365 0.984 50 0 DCAAMN C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C(=O)[O-] ZINC000426503616 661606733 /nfs/dbraw/zinc/60/67/33/661606733.db2.gz VQUZMGIZBFILEG-JSGCOSHPSA-N 0 1 314.345 0.759 50 0 DCAAMN Cc1nc2c(cccc2C(=O)N2CCN3CCNC(=O)[C@@H]3C2)[nH]1 ZINC000067805343 663227248 /nfs/dbraw/zinc/22/72/48/663227248.db2.gz JSPDXACJNQYTJB-ZDUSSCGKSA-N 0 1 313.361 0.128 50 0 DCAAMN C[N@@H+]1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000067842433 664605218 /nfs/dbraw/zinc/60/52/18/664605218.db2.gz XRAKXSCMWBMZJI-CYBMUJFWSA-N 0 1 315.333 0.313 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000067842433 664605220 /nfs/dbraw/zinc/60/52/20/664605220.db2.gz XRAKXSCMWBMZJI-CYBMUJFWSA-N 0 1 315.333 0.313 50 0 DCAAMN NC(=O)CN1CCC[C@H](C(=O)N2CC(c3ccccn3)C2)C1 ZINC000952973040 685600335 /nfs/dbraw/zinc/60/03/35/685600335.db2.gz RCXJVHKQWKGDQQ-LBPRGKRZSA-N 0 1 302.378 0.205 50 0 DCAAMN C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3coc(C)n3)C[C@H]2C1=O ZINC000077390453 685080143 /nfs/dbraw/zinc/08/01/43/685080143.db2.gz WBXKUUCLFHGXRY-WFASDCNBSA-N 0 1 305.334 0.514 50 0 DCAAMN Cc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)n[nH]1 ZINC000091745292 685106019 /nfs/dbraw/zinc/10/60/19/685106019.db2.gz IXTWBLAGGGVEJJ-UHFFFAOYSA-N 0 1 321.425 0.700 50 0 DCAAMN O=C(CCc1n[nH]c2c1CCCC2)N1CCC([C@H](O)CO)CC1 ZINC001772704015 1157842790 /nfs/dbraw/zinc/84/27/90/1157842790.db2.gz HRAUDJYLDJCZFS-MRXNPFEDSA-N 0 1 321.421 0.813 50 0 DCAAMN CCc1cc(NCCn2cncn2)nc(N2CCOCC2)n1 ZINC001704297957 1179964640 /nfs/dbraw/zinc/96/46/40/1179964640.db2.gz CCSRJKHYJZUMDW-UHFFFAOYSA-N 0 1 303.370 0.579 50 0 DCAAMN 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/nfs/dbraw/zinc/97/13/48/1179971348.db2.gz PIVUDMWZKCSSLA-RYUDHWBXSA-N 0 1 324.402 0.914 50 0 DCAAMN CN1CCC[C@]2(CO)CCN(C(=O)c3n[nH]cc3Cl)C[C@@H]12 ZINC001704335584 1179978053 /nfs/dbraw/zinc/97/80/53/1179978053.db2.gz BTEPARBEXYEFIJ-BXUZGUMPSA-N 0 1 312.801 0.982 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(N)s3)C[C@H]2O)n[nH]1 ZINC001704344146 1179980689 /nfs/dbraw/zinc/98/06/89/1179980689.db2.gz OKHFQYBSWKDXEN-PSASIEDQSA-N 0 1 307.379 0.432 50 0 DCAAMN O=C(CN1CCCCC1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704354453 1179983579 /nfs/dbraw/zinc/98/35/79/1179983579.db2.gz DMLJRIINWPXDQI-CVEARBPZSA-N 0 1 303.406 0.929 50 0 DCAAMN CCc1cc(NCCc2nc(N)cc(=O)[nH]2)nc(N(C)C)n1 ZINC000823503702 758251418 /nfs/dbraw/zinc/25/14/18/758251418.db2.gz IIPODKUQYGQBAW-UHFFFAOYSA-N 0 1 303.370 0.837 50 0 DCAAMN CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000585121118 766286460 /nfs/dbraw/zinc/28/64/60/766286460.db2.gz GLBREAZSHWFBRJ-VBQJREDUSA-N 0 1 323.437 0.206 50 0 DCAAMN 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184343276 /nfs/dbraw/zinc/34/32/76/184343276.db2.gz XVQJQJZGBSYKJG-ZDUSSCGKSA-N 0 1 305.378 0.570 50 0 DCAAMN O=C(CN1CCC[C@H]1Cc1ccc(F)cc1)N1CCNC(=O)C1 ZINC000065520348 184358739 /nfs/dbraw/zinc/35/87/39/184358739.db2.gz AFSXFHDSPPEKLS-HNNXBMFYSA-N 0 1 319.380 0.791 50 0 DCAAMN CNC(=O)[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 ZINC000237156793 256600179 /nfs/dbraw/zinc/60/01/79/256600179.db2.gz UYUODYHWZOZVHG-LSDHHAIUSA-N 0 1 301.390 0.686 50 0 DCAAMN O=C(NCCc1c[nH]nn1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000426691362 257244289 /nfs/dbraw/zinc/24/42/89/257244289.db2.gz XEMWJGVZNCBLMU-LLVKDONJSA-N 0 1 303.297 0.729 50 0 DCAAMN O=C(NCCc1cnn[nH]1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000426691362 257244290 /nfs/dbraw/zinc/24/42/90/257244290.db2.gz XEMWJGVZNCBLMU-LLVKDONJSA-N 0 1 303.297 0.729 50 0 DCAAMN CS(=O)(=O)CC[N@@H+]1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426578546 257245773 /nfs/dbraw/zinc/24/57/73/257245773.db2.gz FWMDWFNZBLPVLJ-NSHDSACASA-N 0 1 315.395 0.192 50 0 DCAAMN 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/nfs/dbraw/zinc/38/28/87/183382887.db2.gz GXLVQVKNNFDGHN-AWEZNQCLSA-N 0 1 309.797 0.977 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)NCCc2cnn(C)c2)C1 ZINC000043820973 183386497 /nfs/dbraw/zinc/38/64/97/183386497.db2.gz QNKMCTJDYIKDPW-HNNXBMFYSA-N 0 1 323.441 0.619 50 0 DCAAMN CN1CCN2CCN(CCOCc3ccccc3)C[C@H]2C1=O ZINC000106255609 194192679 /nfs/dbraw/zinc/19/26/79/194192679.db2.gz HUJRGRUJFSYJAU-INIZCTEOSA-N 0 1 303.406 0.661 50 0 DCAAMN CC(C)N(CCN1C(=O)NC(C)(C)C1=O)Cc1cnn(C)c1 ZINC000055919903 184000902 /nfs/dbraw/zinc/00/09/02/184000902.db2.gz JNZYRKWLQOUYAP-UHFFFAOYSA-N 0 1 307.398 0.961 50 0 DCAAMN Cc1cc(C)n(CCN[C@@H](C)C(=O)Nc2nccs2)c(=O)n1 ZINC000065432898 184343986 /nfs/dbraw/zinc/34/39/86/184343986.db2.gz KVXGJTPTMHNFAE-NSHDSACASA-N 0 1 321.406 0.933 50 0 DCAAMN CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cncc(=O)[nH]1 ZINC000426596675 257245766 /nfs/dbraw/zinc/24/57/66/257245766.db2.gz WXPLYGBRGUSLAI-CQSZACIVSA-N 0 1 312.373 0.899 50 0 DCAAMN NC(=O)CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N ZINC000009015431 395685000 /nfs/dbraw/zinc/68/50/00/395685000.db2.gz SLONICYKXMNHQL-UHFFFAOYSA-N 0 1 315.362 0.626 50 0 DCAAMN CCC[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C(=O)[O-] ZINC000091321373 395724782 /nfs/dbraw/zinc/72/47/82/395724782.db2.gz AIINCKBEYYJMIY-VXGBXAGGSA-N 0 1 306.428 0.701 50 0 DCAAMN CN(C[C@@H](O)CN1CCN(C)CC1)C(=O)C1C(C)(C)C1(C)C ZINC000089917382 395716353 /nfs/dbraw/zinc/71/63/53/395716353.db2.gz RQYZMWXODWSJRL-CYBMUJFWSA-N 0 1 311.470 0.735 50 0 DCAAMN O=C(CN1CC[C@@H](CNc2ccccn2)C1)N1CCOCC1 ZINC000097200507 395755624 /nfs/dbraw/zinc/75/56/24/395755624.db2.gz BJADGBSGVRKENR-AWEZNQCLSA-N 0 1 304.394 0.674 50 0 DCAAMN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1cnc[nH]1 ZINC000096232434 395750931 /nfs/dbraw/zinc/75/09/31/395750931.db2.gz FPKJOKYFJWQIDG-ZDUSSCGKSA-N 0 1 300.318 0.858 50 0 DCAAMN CCCN1CCN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H](O)C1 ZINC000097570952 395758841 /nfs/dbraw/zinc/75/88/41/395758841.db2.gz KAYANJLIPWUJIX-LBPRGKRZSA-N 0 1 306.410 0.817 50 0 DCAAMN O=C(CCc1n[nH]c2c1CCCC2)N[C@@H]1C=CS(=O)(=O)C1 ZINC000097775447 395760914 /nfs/dbraw/zinc/76/09/14/395760914.db2.gz DCERDTUEYVQBPD-SNVBAGLBSA-N 0 1 309.391 0.648 50 0 DCAAMN O=C(NCCNC(=O)[C@@H]1CNCCO1)c1ccccc1Cl ZINC000097775884 395761080 /nfs/dbraw/zinc/76/10/80/395761080.db2.gz TYZCXLZZNGYQRY-LBPRGKRZSA-N 0 1 311.769 0.174 50 0 DCAAMN O=C([O-])c1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000218888976 395843586 /nfs/dbraw/zinc/84/35/86/395843586.db2.gz BSNBXAYTDFBSLX-CYBMUJFWSA-N 0 1 322.361 0.337 50 0 DCAAMN O=C([O-])c1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000218888976 395843592 /nfs/dbraw/zinc/84/35/92/395843592.db2.gz BSNBXAYTDFBSLX-CYBMUJFWSA-N 0 1 322.361 0.337 50 0 DCAAMN C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C1CCOCC1)C2 ZINC000219511413 395845397 /nfs/dbraw/zinc/84/53/97/395845397.db2.gz LAACYMQRTOICIG-INIZCTEOSA-N 0 1 308.426 0.863 50 0 DCAAMN Cc1[nH]ncc1CN(C)C(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000219611753 395846043 /nfs/dbraw/zinc/84/60/43/395846043.db2.gz PTWUTMPZINOJCH-AWEZNQCLSA-N 0 1 311.349 0.953 50 0 DCAAMN Cc1ccc(OCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1C ZINC000223651171 395855901 /nfs/dbraw/zinc/85/59/01/395855901.db2.gz NRPQBGWVKHMWCG-JSGCOSHPSA-N 0 1 306.362 0.956 50 0 DCAAMN C[C@H]1CNCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000126331593 395911664 /nfs/dbraw/zinc/91/16/64/395911664.db2.gz CGCDFKWSPWXSIW-LBPRGKRZSA-N 0 1 300.362 0.607 50 0 DCAAMN CCC(=O)c1ccc(OCC(=O)NCCCc2nn[nH]n2)cc1 ZINC000055386842 395918434 /nfs/dbraw/zinc/91/84/34/395918434.db2.gz MKTYDLCTHAHIAN-UHFFFAOYSA-N 0 1 317.349 0.920 50 0 DCAAMN Cc1cc(C)n(CCC(=O)NCCSc2cn[nH]n2)c(=O)n1 ZINC000055402479 395918870 /nfs/dbraw/zinc/91/88/70/395918870.db2.gz NFWDDAZIFZTWIV-UHFFFAOYSA-N 0 1 322.394 0.277 50 0 DCAAMN O=C(NCCn1cnnn1)[C@H]1CCCCN1Cc1ccccc1 ZINC000244811352 395925539 /nfs/dbraw/zinc/92/55/39/395925539.db2.gz SBJAZOUZPBJBMH-OAHLLOKOSA-N 0 1 314.393 0.844 50 0 DCAAMN CCn1c(N)c(C(=O)CN(C)CC2CCCCC2)c(=O)[nH]c1=O ZINC000052511843 395864334 /nfs/dbraw/zinc/86/43/34/395864334.db2.gz UXTVSXDJUULNFS-UHFFFAOYSA-N 0 1 322.409 0.834 50 0 DCAAMN CCCN(CCO)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000052915284 395873324 /nfs/dbraw/zinc/87/33/24/395873324.db2.gz IUCNXBUWZCLHQL-ZDUSSCGKSA-N 0 1 300.399 0.492 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2ccccc2-n2cncn2)C[C@H]1C(=O)[O-] ZINC000067654390 396030180 /nfs/dbraw/zinc/03/01/80/396030180.db2.gz GFNTXXMSQRYAFN-ZDUSSCGKSA-N 0 1 315.333 0.108 50 0 DCAAMN COC(=O)[C@@H]1C[C@@H](NC(=O)c2[nH]nc3c2CCCC3)CN1C ZINC000067805482 396033998 /nfs/dbraw/zinc/03/39/98/396033998.db2.gz DOETZJOOCDEXDY-SKDRFNHKSA-N 0 1 306.366 0.264 50 0 DCAAMN Cc1cc(CNC(=O)c2cc(CN3CCOCC3)on2)n[nH]1 ZINC000067784582 396034435 /nfs/dbraw/zinc/03/44/35/396034435.db2.gz AUKNBVROJXAHMF-UHFFFAOYSA-N 0 1 305.338 0.468 50 0 DCAAMN Cc1cc(C)n(CCCC(=O)N2CC[N@H+](C)[C@H](C(=O)[O-])C2)n1 ZINC000067894375 396037771 /nfs/dbraw/zinc/03/77/71/396037771.db2.gz MMDOLUJHMQKVAE-ZDUSSCGKSA-N 0 1 308.382 0.507 50 0 DCAAMN CC[C@H]1CN(CC(=O)NC2CCOCC2)CCN1CCOC ZINC000069738027 396088760 /nfs/dbraw/zinc/08/87/60/396088760.db2.gz IPMAFAWQSUAOSN-HNNXBMFYSA-N 0 1 313.442 0.324 50 0 DCAAMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2ncccn2)CCN1CCOC ZINC000069738104 396088765 /nfs/dbraw/zinc/08/87/65/396088765.db2.gz HQAZVIGLUDLENK-UONOGXRCSA-N 0 1 321.425 0.846 50 0 DCAAMN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](Cn2cncn2)C1 ZINC000070011749 396097416 /nfs/dbraw/zinc/09/74/16/396097416.db2.gz YTSXCCXGXYPPHR-ILXRZTDVSA-N 0 1 321.425 0.674 50 0 DCAAMN C[C@@H](O)CN1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000070036378 396098340 /nfs/dbraw/zinc/09/83/40/396098340.db2.gz NZGGYERQOISOST-ABAIWWIYSA-N 0 1 300.349 0.997 50 0 DCAAMN COCc1ccccc1CNC(=O)CN1CCC(C(N)=O)CC1 ZINC000071810492 396115190 /nfs/dbraw/zinc/11/51/90/396115190.db2.gz PNEGEMHWKDVOOK-UHFFFAOYSA-N 0 1 319.405 0.647 50 0 DCAAMN CC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CCN1C[C@@H](C)O ZINC000071864679 396119447 /nfs/dbraw/zinc/11/94/47/396119447.db2.gz IMJJBLQJFNYULN-KGLIPLIRSA-N 0 1 323.441 0.444 50 0 DCAAMN O=c1cc(CN2CCC[C@@H]2Cn2cncn2)nc2ccccn12 ZINC000071875138 396120447 /nfs/dbraw/zinc/12/04/47/396120447.db2.gz WCKDHAPJLYJBIK-CQSZACIVSA-N 0 1 310.361 0.951 50 0 DCAAMN Cc1cc(C)n2cc(CN3CCN(C[C@H](C)O)CC3)nc2n1 ZINC000072267384 396127780 /nfs/dbraw/zinc/12/77/80/396127780.db2.gz OGWWRERKTWKSMO-AWEZNQCLSA-N 0 1 303.410 0.845 50 0 DCAAMN C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000075132006 396176727 /nfs/dbraw/zinc/17/67/27/396176727.db2.gz QCSLQIRTUHZUKY-GJZGRUSLSA-N 0 1 307.442 0.257 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@@H]1N(C)C ZINC000076051683 396193854 /nfs/dbraw/zinc/19/38/54/396193854.db2.gz PGGLOANQJWUDPO-ZJUUUORDSA-N 0 1 300.380 0.705 50 0 DCAAMN C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000076058319 396194952 /nfs/dbraw/zinc/19/49/52/396194952.db2.gz SYWQYRYUWNNCBH-HZMBPMFUSA-N 0 1 323.418 0.800 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)COCC(F)(F)F)CCO2)n[nH]1 ZINC000078888631 396256219 /nfs/dbraw/zinc/25/62/19/396256219.db2.gz CHYIZXMHXJJCSI-MRVPVSSYSA-N 0 1 308.260 0.592 50 0 DCAAMN CCCc1nc([C@H]2CN(C(=O)c3cnns3)CCO2)n[nH]1 ZINC000078889873 396256277 /nfs/dbraw/zinc/25/62/77/396256277.db2.gz ULPHAULQMSSWFU-MRVPVSSYSA-N 0 1 308.367 0.822 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(C(=O)c3cnns3)CCO2)n1 ZINC000078889873 396256279 /nfs/dbraw/zinc/25/62/79/396256279.db2.gz ULPHAULQMSSWFU-MRVPVSSYSA-N 0 1 308.367 0.822 50 0 DCAAMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCOC[C@@H](CO)C1 ZINC000077565074 396226608 /nfs/dbraw/zinc/22/66/08/396226608.db2.gz ANKSWQHEJRPVOJ-LLVKDONJSA-N 0 1 302.334 0.553 50 0 DCAAMN CCS(=O)(=O)CC(=O)N1CCC[C@@]2(CCCN(C)C2)C1 ZINC000584898984 396636606 /nfs/dbraw/zinc/63/66/06/396636606.db2.gz VYKXXIHGDJPOBX-CQSZACIVSA-N 0 1 302.440 0.756 50 0 DCAAMN Cc1ccc(O)c(C[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3c[nH]nn3)C2)n1 ZINC000299788678 396714109 /nfs/dbraw/zinc/71/41/09/396714109.db2.gz ZJCJQNLFSQCCQH-WDEREUQCSA-N 0 1 317.349 0.904 50 0 DCAAMN Cc1ccc(O)c(C[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)n1 ZINC000299788678 396714113 /nfs/dbraw/zinc/71/41/13/396714113.db2.gz ZJCJQNLFSQCCQH-WDEREUQCSA-N 0 1 317.349 0.904 50 0 DCAAMN Cc1ccc(O)c(C[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)n1 ZINC000299788678 396714116 /nfs/dbraw/zinc/71/41/16/396714116.db2.gz ZJCJQNLFSQCCQH-WDEREUQCSA-N 0 1 317.349 0.904 50 0 DCAAMN c1nc2c(ncnc2NC[C@]2(N3CCOCC3)CCSC2)[nH]1 ZINC000044975864 415238549 /nfs/dbraw/zinc/23/85/49/415238549.db2.gz GOKVBFHSKUPHJA-CQSZACIVSA-N 0 1 320.422 0.973 50 0 DCAAMN CCOC(=O)[C@H]1CN(c2nc(N)nc(CC)c2C)CCC1=O ZINC000095360488 415555372 /nfs/dbraw/zinc/55/53/72/415555372.db2.gz MHHBCOFEIQLTCQ-JTQLQIEISA-N 0 1 306.366 0.888 50 0 DCAAMN O=C(Cn1nnc2ccccc2c1=O)Nc1nc(C2CC2)n[nH]1 ZINC000095477531 415562808 /nfs/dbraw/zinc/56/28/08/415562808.db2.gz BLPDWCOVSFQSJL-UHFFFAOYSA-N 0 1 311.305 0.426 50 0 DCAAMN O=C(Cn1nnc2ccccc2c1=O)Nc1n[nH]c(C2CC2)n1 ZINC000095477531 415562819 /nfs/dbraw/zinc/56/28/19/415562819.db2.gz BLPDWCOVSFQSJL-UHFFFAOYSA-N 0 1 311.305 0.426 50 0 DCAAMN Cc1cccc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)n1 ZINC000095954325 415564663 /nfs/dbraw/zinc/56/46/63/415564663.db2.gz GCRMCDFQHWCNKL-UHFFFAOYSA-N 0 1 311.349 0.809 50 0 DCAAMN Cc1nnc(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000107690886 415672477 /nfs/dbraw/zinc/67/24/77/415672477.db2.gz BSIRUCTUCFNXHB-CQSZACIVSA-N 0 1 309.439 0.633 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)CCN1 ZINC000155058032 415992425 /nfs/dbraw/zinc/99/24/25/415992425.db2.gz BXHJZKYHZITFDV-OCCSQVGLSA-N 0 1 310.419 0.463 50 0 DCAAMN Cc1[nH]nc(CCC(=O)N2CCN(c3nc[nH]n3)CC2)c1C ZINC000299769616 416065487 /nfs/dbraw/zinc/06/54/87/416065487.db2.gz OQNFJRVNTSRVOB-UHFFFAOYSA-N 0 1 303.370 0.426 50 0 DCAAMN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CSc1nnc(C)o1 ZINC000299777933 416068243 /nfs/dbraw/zinc/06/82/43/416068243.db2.gz LXARDRFUJVVYIB-QWRGUYRKSA-N 0 1 314.411 0.694 50 0 DCAAMN Cc1nnc(SCCNC(=O)CN2C[C@@H](C)O[C@@H](C)C2)[nH]1 ZINC000299793133 416070036 /nfs/dbraw/zinc/07/00/36/416070036.db2.gz KKOUZCKGQMRRIE-AOOOYVTPSA-N 0 1 313.427 0.431 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CCN1 ZINC000188409896 416262326 /nfs/dbraw/zinc/26/23/26/416262326.db2.gz YPQUCTKXBZNCQY-OSAQELSMSA-N 0 1 319.409 0.150 50 0 DCAAMN CC1CCN(c2ccc(CNC(=O)[C@H]3CNCCO3)cn2)CC1 ZINC000188063292 416263354 /nfs/dbraw/zinc/26/33/54/416263354.db2.gz DOGKUIZDSPERFF-OAHLLOKOSA-N 0 1 318.421 0.923 50 0 DCAAMN Cc1nnc(SCCNC(=O)c2c[nH]c(=O)c(Cl)c2)[nH]1 ZINC000215166111 416327141 /nfs/dbraw/zinc/32/71/41/416327141.db2.gz MJKXTINQNHXNGL-UHFFFAOYSA-N 0 1 313.770 0.977 50 0 DCAAMN C[C@H](OC[C@H]1CCCCO1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000242288050 416330397 /nfs/dbraw/zinc/33/03/97/416330397.db2.gz YKRYWBWQKKPVHX-SOUVJXGZSA-N 0 1 313.442 0.323 50 0 DCAAMN C[N@H+]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@@H]1C(=O)[O-] ZINC000244708297 416330781 /nfs/dbraw/zinc/33/07/81/416330781.db2.gz KRENWRXFINMARJ-CQSZACIVSA-N 0 1 313.361 0.739 50 0 DCAAMN O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CCNCC1 ZINC000583648207 416480028 /nfs/dbraw/zinc/48/00/28/416480028.db2.gz FTUGMLCGQYHIEZ-AWEZNQCLSA-N 0 1 313.361 0.595 50 0 DCAAMN C[C@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)CCN1 ZINC000493139743 272170405 /nfs/dbraw/zinc/17/04/05/272170405.db2.gz LBGYLQAYXFRNPW-KMSCOEIWSA-N 0 1 303.362 0.384 50 0 DCAAMN C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CCC2(CC1)OCCO2 ZINC000040501320 279209028 /nfs/dbraw/zinc/20/90/28/279209028.db2.gz JITGPBPQYONKQN-HZSPNIEDSA-N 0 1 312.410 0.850 50 0 DCAAMN C[C@@H](CN1CCc2ccccc2C1)NCc1noc(C(N)=O)n1 ZINC000534648519 334316420 /nfs/dbraw/zinc/31/64/20/334316420.db2.gz QBZKICJSRRPDQC-NSHDSACASA-N 0 1 315.377 0.705 50 0 DCAAMN Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000237743886 527116172 /nfs/dbraw/zinc/11/61/72/527116172.db2.gz HPVQPIGTUIRYKN-GFCCVEGCSA-N 0 1 303.366 0.398 50 0 DCAAMN Cc1cn(C)c(CC(=O)NCCC[NH+]2CCOCC2)c1C(=O)[O-] ZINC000064980531 545658601 /nfs/dbraw/zinc/65/86/01/545658601.db2.gz WAYDORLIVBCAAN-UHFFFAOYSA-N 0 1 323.393 0.413 50 0 DCAAMN CN(C)C(=O)c1cncc(N2CCC[C@H](c3nc[nH]n3)C2)n1 ZINC000670467075 547100153 /nfs/dbraw/zinc/10/01/53/547100153.db2.gz FNDLXZXCRBOZKC-JTQLQIEISA-N 0 1 301.354 0.681 50 0 DCAAMN COCc1cc(CNC(=O)N2CCC3(CNC(=O)O3)CC2)n[nH]1 ZINC000426473602 661603265 /nfs/dbraw/zinc/60/32/65/661603265.db2.gz MTURZWDMNRAQMZ-UHFFFAOYSA-N 0 1 323.353 0.340 50 0 DCAAMN CN1CCCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000061197384 664595494 /nfs/dbraw/zinc/59/54/94/664595494.db2.gz TXGAWVDOUZFBNQ-UHFFFAOYSA-N 0 1 322.434 0.977 50 0 DCAAMN CC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3F)CN2C1=O ZINC000014751150 685048978 /nfs/dbraw/zinc/04/89/78/685048978.db2.gz XBVBNUQBMONYMZ-UBHSHLNASA-N 0 1 323.343 0.932 50 0 DCAAMN CN(CCS(C)(=O)=O)C(=O)c1nnc2ccccc2c1O ZINC000111600157 685115068 /nfs/dbraw/zinc/11/50/68/685115068.db2.gz QMPOXNKEYUCGMS-UHFFFAOYSA-N 0 1 309.347 0.040 50 0 DCAAMN O=C([O-])C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccccc1)C2 ZINC001704315828 1179970894 /nfs/dbraw/zinc/97/08/94/1179970894.db2.gz OVIRTTLKJCEQII-GJZGRUSLSA-N 0 1 318.373 0.473 50 0 DCAAMN O=C(CN1CCCCCC1)N[C@H]1COC[C@@H]1N1CCOCC1 ZINC000828038954 758918448 /nfs/dbraw/zinc/91/84/48/758918448.db2.gz PLAUQXUDOJWUOD-GJZGRUSLSA-N 0 1 311.426 0.078 50 0 DCAAMN Cc1[nH]ncc1CN(C)c1cncc(C(=O)N2CCOCC2)n1 ZINC001529125970 1014501012 /nfs/dbraw/zinc/50/10/12/1014501012.db2.gz GBMXLODVOFSRKA-UHFFFAOYSA-N 0 1 316.365 0.617 50 0 DCAAMN OCCCN1CCN(c2cc(Cn3cccn3)ccn2)CC1 ZINC000095452447 185369132 /nfs/dbraw/zinc/36/91/32/185369132.db2.gz GYSYFSZKBZBQMR-UHFFFAOYSA-N 0 1 301.394 0.831 50 0 DCAAMN C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C(=O)NCCCO)C[C@H]1C(=O)[O-] ZINC000067803270 190723182 /nfs/dbraw/zinc/72/31/82/190723182.db2.gz PUOVVHKXQITYKE-UBHSHLNASA-N 0 1 324.352 0.770 50 0 DCAAMN O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@@](O)(CO)CC1 ZINC000072169901 191068656 /nfs/dbraw/zinc/06/86/56/191068656.db2.gz VJWILBWKAWJTPS-KRWDZBQOSA-N 0 1 321.421 0.957 50 0 DCAAMN Cc1nc([C@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n[nH]1 ZINC000072300120 191114245 /nfs/dbraw/zinc/11/42/45/191114245.db2.gz ZUJLSPRPCXRDNL-LLVKDONJSA-N 0 1 303.370 0.693 50 0 DCAAMN Cc1[n-][nH]c(=O)c1CC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072458655 191173284 /nfs/dbraw/zinc/17/32/84/191173284.db2.gz HVCZKGFPLGLAIV-UHFFFAOYSA-N 0 1 315.377 0.632 50 0 DCAAMN COc1cccc(-n2cc(CN(C)C(=O)[C@@H](N)[C@@H](C)O)cn2)c1 ZINC000072481376 191180987 /nfs/dbraw/zinc/18/09/87/191180987.db2.gz UORSUCLEPDFXKH-ABAIWWIYSA-N 0 1 318.377 0.547 50 0 DCAAMN C[C@H](CNC(=O)NC[C@H]1CN(C)CCN1C)Oc1ccccc1 ZINC000073060662 191275155 /nfs/dbraw/zinc/27/51/55/191275155.db2.gz VGJGUROWVVBEIT-CABCVRRESA-N 0 1 320.437 0.999 50 0 DCAAMN C[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@H](C)N1 ZINC000153787399 237026292 /nfs/dbraw/zinc/02/62/92/237026292.db2.gz BZQVRZAEDMGPRS-STQMWFEESA-N 0 1 314.389 0.995 50 0 DCAAMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1ccnn1C ZINC000187483012 200118642 /nfs/dbraw/zinc/11/86/42/200118642.db2.gz RNQKUANPEUPECS-LBPRGKRZSA-N 0 1 309.414 0.407 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000237816696 202362266 /nfs/dbraw/zinc/36/22/66/202362266.db2.gz BORBISVZKUCMAX-VIFPVBQESA-N 0 1 306.819 0.742 50 0 DCAAMN CN(CC1(CO)CCOCC1)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000244626719 202484296 /nfs/dbraw/zinc/48/42/96/202484296.db2.gz FRGBFJZTDYHJBK-TXEJJXNPSA-N 0 1 322.409 0.522 50 0 DCAAMN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1nc(C)no1)CC2 ZINC000091493691 193064522 /nfs/dbraw/zinc/06/45/22/193064522.db2.gz AQXUYLWHXUVNMI-LBPRGKRZSA-N 0 1 322.365 0.666 50 0 DCAAMN CCn1cnnc1C[N@H+]1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091706338 193094626 /nfs/dbraw/zinc/09/46/26/193094626.db2.gz CXOJIUZKZGTOTC-QWHCGFSZSA-N 0 1 301.350 0.993 50 0 DCAAMN CCn1cnnc1C[N@@H+]1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091706338 193094628 /nfs/dbraw/zinc/09/46/28/193094628.db2.gz CXOJIUZKZGTOTC-QWHCGFSZSA-N 0 1 301.350 0.993 50 0 DCAAMN CNc1cc(C)nc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)n1 ZINC000092062257 193150168 /nfs/dbraw/zinc/15/01/68/193150168.db2.gz NXWYLNMOCSQWRQ-OLZOCXBDSA-N 0 1 322.409 0.555 50 0 DCAAMN COCCCn1cnnc1CNC(=O)c1ccc2[nH]nnc2c1 ZINC000220579291 201576891 /nfs/dbraw/zinc/57/68/91/201576891.db2.gz BOPWUYPGEBTJFZ-UHFFFAOYSA-N 0 1 315.337 0.516 50 0 DCAAMN Cn1c2[n-]c(C[NH2+]CCc3ccccc3)nc2c(=O)n(C)c1=O ZINC000020029390 182181460 /nfs/dbraw/zinc/18/14/60/182181460.db2.gz NGULAKGHDIEFOR-UHFFFAOYSA-N 0 1 313.361 0.293 50 0 DCAAMN CCn1nnnc1NC(=O)NCCc1n[nH]c2c1CCCC2 ZINC000023478782 182361616 /nfs/dbraw/zinc/36/16/16/182361616.db2.gz IUNPAQNYZJPSRF-UHFFFAOYSA-N 0 1 304.358 0.659 50 0 DCAAMN CN(C)[C@H](CNC(=O)CN1C(=O)CCC1=O)c1cccs1 ZINC000038628946 183004805 /nfs/dbraw/zinc/00/48/05/183004805.db2.gz JIDDAHKPJVFQEO-SNVBAGLBSA-N 0 1 309.391 0.616 50 0 DCAAMN C[C@@H](NCCSc1nnnn1C)C(=O)Nc1nccs1 ZINC000065535232 184362406 /nfs/dbraw/zinc/36/24/06/184362406.db2.gz GAEPXPLWEXNATA-SSDOTTSWSA-N 0 1 313.412 0.376 50 0 DCAAMN Cc1cc(C)c2c(OCC(=O)N3CCNCC3)nn(C)c2n1 ZINC000237619006 257238275 /nfs/dbraw/zinc/23/82/75/257238275.db2.gz LQYADOOPTBVKDC-UHFFFAOYSA-N 0 1 303.366 0.396 50 0 DCAAMN CN(CCC(=O)NC(N)=O)Cc1cnn(-c2ccccc2)c1 ZINC000011459940 395686480 /nfs/dbraw/zinc/68/64/80/395686480.db2.gz BOFJOSCAYJAUFY-UHFFFAOYSA-N 0 1 301.350 0.889 50 0 DCAAMN CN1C(=O)NC(=O)C(=CNC[C@@]2(C)C[C@H](O)CC(C)(C)C2)C1=O ZINC000019535470 395690982 /nfs/dbraw/zinc/69/09/82/395690982.db2.gz HNZXOGMTIJYWCC-VTGFDSTCSA-N 0 1 323.393 0.745 50 0 DCAAMN CCN1CCN(c2ncc(C(=O)NCCOC)c(C)n2)CC1 ZINC000021638412 395691594 /nfs/dbraw/zinc/69/15/94/395691594.db2.gz WYWIYYRZGCLNAA-UHFFFAOYSA-N 0 1 307.398 0.303 50 0 DCAAMN CO[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000000338200 395680182 /nfs/dbraw/zinc/68/01/82/395680182.db2.gz LMFKRLGHEKVMNT-XKVFNRALSA-N 0 1 313.394 0.327 50 0 DCAAMN O=C(CN1CCN(C[C@@H](O)C2CC2)CC1)N1CCCCCC1 ZINC000085436824 395700186 /nfs/dbraw/zinc/70/01/86/395700186.db2.gz XVXUQSMBAHYWDH-MRXNPFEDSA-N 0 1 309.454 0.778 50 0 DCAAMN 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CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000584888588 396633096 /nfs/dbraw/zinc/63/30/96/396633096.db2.gz NCBLEZYVYAIAFC-STQMWFEESA-N 0 1 316.361 0.143 50 0 DCAAMN CC(C)CN1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 ZINC000584892220 396633884 /nfs/dbraw/zinc/63/38/84/396633884.db2.gz SVGWOQRUNLADQC-GFCCVEGCSA-N 0 1 313.467 0.797 50 0 DCAAMN COc1cccc2c(=O)n(C[C@@H]3COCCN(C)C3)cnc12 ZINC000584891446 396634010 /nfs/dbraw/zinc/63/40/10/396634010.db2.gz YLDDOBKEKQBCHA-GFCCVEGCSA-N 0 1 303.362 0.983 50 0 DCAAMN CC(C)N1CCO[C@@H](CC(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000584899110 396636348 /nfs/dbraw/zinc/63/63/48/396636348.db2.gz NNCQFMWLJPIHSY-AWEZNQCLSA-N 0 1 311.426 0.600 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000124725044 158246884 /nfs/dbraw/zinc/24/68/84/158246884.db2.gz YXRVSMJGSNDHSL-CQSZACIVSA-N 0 1 303.406 0.953 50 0 DCAAMN C[C@H]1CCC[N@H+](Cc2c(C(=O)[O-])nnn2-c2nonc2N)C1 ZINC000005484086 415134718 /nfs/dbraw/zinc/13/47/18/415134718.db2.gz OUSXDWQQFWQIHN-ZETCQYMHSA-N 0 1 307.314 0.163 50 0 DCAAMN C[C@H]1CCC[N@@H+](Cc2c(C(=O)[O-])nnn2-c2nonc2N)C1 ZINC000005484086 415134721 /nfs/dbraw/zinc/13/47/21/415134721.db2.gz OUSXDWQQFWQIHN-ZETCQYMHSA-N 0 1 307.314 0.163 50 0 DCAAMN CCOC(=O)[C@@H]1CCCN(CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000026898123 415170739 /nfs/dbraw/zinc/17/07/39/415170739.db2.gz LZGWVFHDPJDBQA-LLVKDONJSA-N 0 1 311.382 0.592 50 0 DCAAMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2[n-]c(=O)ccc2=O)C1 ZINC000044952619 415238157 /nfs/dbraw/zinc/23/81/57/415238157.db2.gz VFDBBCALHWJBOJ-BETUJISGSA-N 0 1 322.409 0.433 50 0 DCAAMN Cc1nc(C)n(CCCNC(=O)[C@H]2NCCc3[nH]cnc32)n1 ZINC000072454759 415415177 /nfs/dbraw/zinc/41/51/77/415415177.db2.gz VJUGDJAJRJFYLA-ZDUSSCGKSA-N 0 1 303.370 0.011 50 0 DCAAMN COCc1cc(CNC(=O)c2ccc3c(c2)nnn3C)n[nH]1 ZINC000067820387 415385633 /nfs/dbraw/zinc/38/56/33/415385633.db2.gz SFRJRPFZSYJKJH-UHFFFAOYSA-N 0 1 300.322 0.768 50 0 DCAAMN COC(=O)c1cccc2nc(NC(=O)c3nccnc3N)[nH]c21 ZINC000089406978 415520940 /nfs/dbraw/zinc/52/09/40/415520940.db2.gz FKYQNCINVPYHDQ-UHFFFAOYSA-N 0 1 312.289 0.396 50 0 DCAAMN C[C@@H]1CN(C[C@@H](O)Cn2c(CO)nc3ccccc32)C[C@@H](C)O1 ZINC000106830500 415647568 /nfs/dbraw/zinc/64/75/68/415647568.db2.gz CVRLBQKPQXKUMD-MGPQQGTHSA-N 0 1 319.405 0.999 50 0 DCAAMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1COCCO1 ZINC000299803104 416071289 /nfs/dbraw/zinc/07/12/89/416071289.db2.gz WTPAZKVSKLGBHJ-HNNXBMFYSA-N 0 1 305.378 0.578 50 0 DCAAMN Cc1ccc2nc(CCNC(=O)CN3CCC[C@@H](O)C3)[nH]c2c1 ZINC000299799580 416071383 /nfs/dbraw/zinc/07/13/83/416071383.db2.gz SLUJFDSMGVCNIN-CYBMUJFWSA-N 0 1 316.405 0.987 50 0 DCAAMN CCOc1ccc(OC[C@@H](O)CN2CCC[C@H]2C(N)=O)cc1 ZINC000241401139 416330173 /nfs/dbraw/zinc/33/01/73/416330173.db2.gz NBLFXQPBUVNTGB-WFASDCNBSA-N 0 1 308.378 0.775 50 0 DCAAMN Cc1nc([C@H]2CCCN2S(=O)(=O)CCN2CCCC2)no1 ZINC000242147526 416330370 /nfs/dbraw/zinc/33/03/70/416330370.db2.gz WSKZFNKVHLPACM-GFCCVEGCSA-N 0 1 314.411 0.941 50 0 DCAAMN 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/nfs/dbraw/zinc/74/60/87/548746087.db2.gz YJWHKXQHYQGZBD-NSHDSACASA-N 0 1 318.385 0.362 50 0 DCAAMN COC(=O)[C@H](Cc1ccc(N2CCN(C)CC2)cc1)NC(C)=O ZINC000169805425 568414443 /nfs/dbraw/zinc/41/44/43/568414443.db2.gz KWAUUVCWNJQLCT-INIZCTEOSA-N 0 1 319.405 0.659 50 0 DCAAMN O=C1CCCN1C[C@H]1CCCN(c2ncnc3c2CCNC3)C1 ZINC000067871868 665342817 /nfs/dbraw/zinc/34/28/17/665342817.db2.gz YPLHFSQMMKOJDR-CYBMUJFWSA-N 0 1 315.421 0.961 50 0 DCAAMN CCO[C@H](CS(=O)(=O)N1CC[C@@H](c2nc[nH]n2)C1)C1CC1 ZINC000859199816 671081861 /nfs/dbraw/zinc/08/18/61/671081861.db2.gz SMEPGSNFZWFHGI-VXGBXAGGSA-N 0 1 314.411 0.739 50 0 DCAAMN CCn1cc(CN2C[C@H]3COC[C@@H]2C[N@@H+](CC(=O)[O-])C3)cn1 ZINC001772703500 1157842819 /nfs/dbraw/zinc/84/28/19/1157842819.db2.gz XQMWODMLZIBFHY-KBPBESRZSA-N 0 1 308.382 0.120 50 0 DCAAMN O=C(c1ccccc1-c1nnc[nH]1)N(CCO)Cc1ncc[nH]1 ZINC001772706089 1157843359 /nfs/dbraw/zinc/84/33/59/1157843359.db2.gz GWAAXISPTOLOMW-UHFFFAOYSA-N 0 1 312.333 0.830 50 0 DCAAMN Cc1cc(C(=O)N2CCCN(C[C@@H](O)CO)CC2)ccc1F ZINC001772711603 1157849324 /nfs/dbraw/zinc/84/93/24/1157849324.db2.gz FFWAWYCGPPLTOB-CQSZACIVSA-N 0 1 310.369 0.635 50 0 DCAAMN O=C([O-])[C@@]12C[N@@H+](CCC(=O)Nc3cccnc3)C[C@@H]1COCC2 ZINC001772712723 1157850723 /nfs/dbraw/zinc/85/07/23/1157850723.db2.gz XFIJPBGHVGAJRA-WBMJQRKESA-N 0 1 319.361 0.833 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3c(O)cccc3O)C[C@H]2O)n[nH]1 ZINC001704299167 1179964703 /nfs/dbraw/zinc/96/47/03/1179964703.db2.gz NORINAXAPXIKFH-QMTHXVAHSA-N 0 1 317.345 0.805 50 0 DCAAMN O=C([O-])C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccsc1)C2 ZINC001704306617 1179968186 /nfs/dbraw/zinc/96/81/86/1179968186.db2.gz WCMNBBIZFJTROL-JQWIXIFHSA-N 0 1 310.375 0.606 50 0 DCAAMN Cc1nc(N)ncc1C(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 ZINC001704338879 1179978146 /nfs/dbraw/zinc/97/81/46/1179978146.db2.gz IXXHGWSTIKHSSR-CZUORRHYSA-N 0 1 319.409 0.286 50 0 DCAAMN Cc1[nH]nc(CCC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1C ZINC000828710773 759072378 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/nfs/dbraw/zinc/68/02/04/395680204.db2.gz PIYTTXJEUJZVNC-UHFFFAOYSA-N 0 1 320.740 0.411 50 0 DCAAMN C[C@H]1Nc2nc(N)[nH]c(=O)c2N(C(=O)c2cccnc2)[C@@H]1C ZINC000005130904 395682593 /nfs/dbraw/zinc/68/25/93/395682593.db2.gz BTWHZQREJHEVAN-HTQZYQBOSA-N 0 1 300.322 0.596 50 0 DCAAMN Cc1cc(NC(=O)CN2CCN(C[C@@H](O)C3CC3)CC2)no1 ZINC000085436848 395700460 /nfs/dbraw/zinc/70/04/60/395700460.db2.gz MGIUGWLBZMJWEX-CYBMUJFWSA-N 0 1 308.382 0.310 50 0 DCAAMN O=C(CN1CCN(C[C@@H](O)C2CC2)CC1)NC1CCCCC1 ZINC000085436832 395700491 /nfs/dbraw/zinc/70/04/91/395700491.db2.gz CPIBOGVUSJSQEN-MRXNPFEDSA-N 0 1 309.454 0.824 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)[C@@H]3CCN(C)C(=O)C3)CCO2)n[nH]1 ZINC000089289711 395709302 /nfs/dbraw/zinc/70/93/02/395709302.db2.gz FTKHPXJUPDRHAI-GHMZBOCLSA-N 0 1 321.381 0.135 50 0 DCAAMN CCCN1CCN(C(=O)c2cnc3sccn3c2=O)CC1 ZINC000032611588 395711352 /nfs/dbraw/zinc/71/13/52/395711352.db2.gz IXCHXVBXCKEBRW-UHFFFAOYSA-N 0 1 306.391 0.924 50 0 DCAAMN CCCN1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000028223341 395695820 /nfs/dbraw/zinc/69/58/20/395695820.db2.gz SNHCKLRHBPMJOH-ZDUSSCGKSA-N 0 1 317.455 0.212 50 0 DCAAMN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](N)CO)C3)cc1 ZINC000096153061 395746748 /nfs/dbraw/zinc/74/67/48/395746748.db2.gz IGKOLGYIRUOVSL-LBPRGKRZSA-N 0 1 316.361 0.290 50 0 DCAAMN CNC(=O)c1cccc(N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000096453206 395753959 /nfs/dbraw/zinc/75/39/59/395753959.db2.gz CPEQXLISHODHMM-CYBMUJFWSA-N 0 1 304.394 0.742 50 0 DCAAMN CCNC(=O)CCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000046503613 395777915 /nfs/dbraw/zinc/77/79/15/395777915.db2.gz SXCDUHWMJNRZQX-UHFFFAOYSA-N 0 1 315.421 0.978 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)Cn2ccnc2)C1 ZINC000048364937 395814253 /nfs/dbraw/zinc/81/42/53/395814253.db2.gz QYKLIZKZMGNNHW-LSDHHAIUSA-N 0 1 323.441 0.928 50 0 DCAAMN CN(C)C(=O)NCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000220295572 395847721 /nfs/dbraw/zinc/84/77/21/395847721.db2.gz QLVDENOXVHXCHU-UHFFFAOYSA-N 0 1 319.409 0.433 50 0 DCAAMN 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/nfs/dbraw/zinc/04/17/00/396041700.db2.gz XPLDYNJIOXUMIU-UHFFFAOYSA-N 0 1 316.405 0.817 50 0 DCAAMN CN(C)c1nccnc1O[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000169756439 396090981 /nfs/dbraw/zinc/09/09/81/396090981.db2.gz CDGXQAYDALFHDR-SNVBAGLBSA-N 0 1 302.338 0.559 50 0 DCAAMN COc1cccc(S(=O)(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c1 ZINC000169785274 396092515 /nfs/dbraw/zinc/09/25/15/396092515.db2.gz MPDHDUHZBIWTAW-SNVBAGLBSA-N 0 1 323.378 0.777 50 0 DCAAMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N3CCNC3=O)C2)n1 ZINC000069979418 396096892 /nfs/dbraw/zinc/09/68/92/396096892.db2.gz DXOQPMIZRQQRIT-ZDUSSCGKSA-N 0 1 320.397 0.159 50 0 DCAAMN CCOCCCNc1nc2n[nH]nc2c(N2CCOCC2)n1 ZINC000070637484 396102621 /nfs/dbraw/zinc/10/26/21/396102621.db2.gz BOVBZWLHWCQLPC-UHFFFAOYSA-N 0 1 307.358 0.423 50 0 DCAAMN O=C(Cn1nc2ccccn2c1=O)N1CCN2CCCC[C@@H]2C1 ZINC000071839840 396118742 /nfs/dbraw/zinc/11/87/42/396118742.db2.gz BDDBCKUCCXYGBM-CYBMUJFWSA-N 0 1 315.377 0.193 50 0 DCAAMN C[C@@H](O)CN1CCN(C[C@H](O)COCc2cccs2)CC1 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CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n1 ZINC000078888989 396256146 /nfs/dbraw/zinc/25/61/46/396256146.db2.gz IYAMPXPNEZWRGJ-NXEZZACHSA-N 0 1 307.354 0.107 50 0 DCAAMN CC(C)c1nc([C@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n[nH]1 ZINC000078888989 396256147 /nfs/dbraw/zinc/25/61/47/396256147.db2.gz IYAMPXPNEZWRGJ-NXEZZACHSA-N 0 1 307.354 0.107 50 0 DCAAMN CCCc1nc([C@H]2CN(C(=O)c3cnccn3)CCO2)n[nH]1 ZINC000078889963 396256360 /nfs/dbraw/zinc/25/63/60/396256360.db2.gz LHCONJGGMZRCLH-LLVKDONJSA-N 0 1 302.338 0.761 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(C(=O)c3cnccn3)CCO2)n1 ZINC000078889963 396256363 /nfs/dbraw/zinc/25/63/63/396256363.db2.gz LHCONJGGMZRCLH-LLVKDONJSA-N 0 1 302.338 0.761 50 0 DCAAMN O=C1C[C@@H](NCc2ccccn2)CN1CCN1CCOCC1 ZINC000178906923 396213729 /nfs/dbraw/zinc/21/37/29/396213729.db2.gz YXVMLGPQZPOJIN-OAHLLOKOSA-N 0 1 304.394 0.104 50 0 DCAAMN CC(=O)N1CCN([C@@H]2CN(Cc3cc(C)no3)C[C@@H]2C)CC1 ZINC000084124219 396318189 /nfs/dbraw/zinc/31/81/89/396318189.db2.gz 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/nfs/dbraw/zinc/50/08/99/415500899.db2.gz QSUUWYJILMVZSC-VXGBXAGGSA-N 0 1 312.439 0.859 50 0 DCAAMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H]1Cn1cncn1 ZINC000075132986 415437696 /nfs/dbraw/zinc/43/76/96/415437696.db2.gz YNYBKVLBNFJRLR-MGPQQGTHSA-N 0 1 307.398 0.426 50 0 DCAAMN CN1CCC[N@@H+](CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000091519119 415533418 /nfs/dbraw/zinc/53/34/18/415533418.db2.gz YDWVVDCJRGDQSI-LSDHHAIUSA-N 0 1 323.437 0.583 50 0 DCAAMN C[N@@H+]1CCCN(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000091519119 415533424 /nfs/dbraw/zinc/53/34/24/415533424.db2.gz YDWVVDCJRGDQSI-LSDHHAIUSA-N 0 1 323.437 0.583 50 0 DCAAMN C[N@H+]1CCCN(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000091519119 415533434 /nfs/dbraw/zinc/53/34/34/415533434.db2.gz YDWVVDCJRGDQSI-LSDHHAIUSA-N 0 1 323.437 0.583 50 0 DCAAMN O=C(CCC[NH+]1CCCCC1)NCCc1nc([O-])cc(=O)[nH]1 ZINC000095382193 415559129 /nfs/dbraw/zinc/55/91/29/415559129.db2.gz XXQSWHMHWMKAES-UHFFFAOYSA-N 0 1 308.382 0.400 50 0 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/nfs/dbraw/zinc/88/03/05/277880305.db2.gz UECYOFMJUMCZHC-WDEREUQCSA-N 0 1 312.414 0.443 50 0 DCAAMN Cc1[nH]ncc1CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000285226794 293137175 /nfs/dbraw/zinc/13/71/75/293137175.db2.gz PPSNPAHPKOKZQQ-MGPQQGTHSA-N 0 1 308.382 0.790 50 0 DCAAMN CN1CCN([C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2O)CC1 ZINC000215723462 545937777 /nfs/dbraw/zinc/93/77/77/545937777.db2.gz FPWYANOKFCUQAJ-ZGCXVMDJSA-N 0 1 301.434 0.992 50 0 DCAAMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1c[nH]c(=O)cn1 ZINC000222626097 545941407 /nfs/dbraw/zinc/94/14/07/545941407.db2.gz VKSRNGVHEWOECS-UHFFFAOYSA-N 0 1 310.317 0.940 50 0 DCAAMN O=C(c1cccn1C1CC1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000670468428 547100404 /nfs/dbraw/zinc/10/04/04/547100404.db2.gz OMSUCEGCASOUOV-UHFFFAOYSA-N 0 1 300.366 0.899 50 0 DCAAMN CN1CC[C@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C1=O ZINC000670472290 547102000 /nfs/dbraw/zinc/10/20/00/547102000.db2.gz PPAKIGVAUBLXKY-HNNXBMFYSA-N 0 1 316.405 0.399 50 0 DCAAMN O=C1CCCN1C[C@H](O)CN1CCN(c2cccc(O)c2)CC1 ZINC000111683166 668140991 /nfs/dbraw/zinc/14/09/91/668140991.db2.gz WJABYDNEUWOPGI-MRXNPFEDSA-N 0 1 319.405 0.498 50 0 DCAAMN CCCN(Cc1nccn1C)C(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000952980847 685601193 /nfs/dbraw/zinc/60/11/93/685601193.db2.gz RPDIROKJHOHWBL-ZDUSSCGKSA-N 0 1 321.425 0.356 50 0 DCAAMN O=C1[C@@H]2CSCN2C(=O)[C@H]2CN(CC3CCCCC3)CCN12 ZINC000014750564 685048574 /nfs/dbraw/zinc/04/85/74/685048574.db2.gz UGZQCTGVKGJVEK-KGLIPLIRSA-N 0 1 323.462 0.995 50 0 DCAAMN CC(C)c1cc(C(=O)NCCN2CCC[C@H](C(N)=O)C2)no1 ZINC000082107227 685082641 /nfs/dbraw/zinc/08/26/41/685082641.db2.gz UEHLJPKEXLSLAD-NSHDSACASA-N 0 1 308.382 0.725 50 0 DCAAMN CN(C)c1ccc(CN2C[C@@H](Cc3cnccn3)[C@H](O)C2)cn1 ZINC001704280529 1179958489 /nfs/dbraw/zinc/95/84/89/1179958489.db2.gz USHWMNDWWHTPOZ-GDBMZVCRSA-N 0 1 313.405 0.973 50 0 DCAAMN CN1C(=O)[C@H]2COC[C@@H]1C[N@H+](Cc1ccccc1C(=O)[O-])C2 ZINC001704308640 1179968274 /nfs/dbraw/zinc/96/82/74/1179968274.db2.gz 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/nfs/dbraw/zinc/38/47/34/192384734.db2.gz VPWXNRQGGRUGAL-NSHDSACASA-N 0 1 302.338 0.679 50 0 DCAAMN Cc1cnn(CC2CCN(C(=O)C[C@@H]3COCCN3)CC2)c1 ZINC000072146101 191053378 /nfs/dbraw/zinc/05/33/78/191053378.db2.gz ZTTBBLQFYMJUNN-OAHLLOKOSA-N 0 1 306.410 0.809 50 0 DCAAMN COCc1nc2c(cnn2C)c(NCCSc2cn[nH]n2)n1 ZINC000072152748 191057591 /nfs/dbraw/zinc/05/75/91/191057591.db2.gz CMKVLCVQUIBIEI-UHFFFAOYSA-N 0 1 320.382 0.832 50 0 DCAAMN C[C@@H](Cc1cnccn1)NC(=O)CCc1cc2n(n1)CCNC2 ZINC000072425686 191159261 /nfs/dbraw/zinc/15/92/61/191159261.db2.gz FVBXKHPDWSQGGP-LBPRGKRZSA-N 0 1 314.393 0.456 50 0 DCAAMN NC(=O)C1(N2CCCCC2)CCN(C(=S)NC2CC2)CC1 ZINC000004702285 181139509 /nfs/dbraw/zinc/13/95/09/181139509.db2.gz XNNZOJYIZFICIU-UHFFFAOYSA-N 0 1 310.467 0.829 50 0 DCAAMN COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000237226449 202194882 /nfs/dbraw/zinc/19/48/82/202194882.db2.gz DEZYSBTWZXFTBU-CQSZACIVSA-N 0 1 306.362 0.998 50 0 DCAAMN COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000237226449 202194886 /nfs/dbraw/zinc/19/48/86/202194886.db2.gz DEZYSBTWZXFTBU-CQSZACIVSA-N 0 1 306.362 0.998 50 0 DCAAMN Cc1ccnn1CC(=O)N1CCN(C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091713630 193096037 /nfs/dbraw/zinc/09/60/37/193096037.db2.gz CWTRIDWFJYQZPA-MRXNPFEDSA-N 0 1 319.409 0.004 50 0 DCAAMN CSCC(=O)N1C[C@H](CO)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091830879 193114313 /nfs/dbraw/zinc/11/43/13/193114313.db2.gz JMZSBFOZBWITRJ-XJFOESAGSA-N 0 1 316.467 0.526 50 0 DCAAMN CN1CCN(CCc2ncnn2-c2ccc3c(c2)OCO3)CC1 ZINC000091974227 193135242 /nfs/dbraw/zinc/13/52/42/193135242.db2.gz ILKNPWONYUCKQR-UHFFFAOYSA-N 0 1 315.377 0.786 50 0 DCAAMN COc1ccc(CN2CCN(CCO)CC2)c(OC)c1OC ZINC000019606750 182132990 /nfs/dbraw/zinc/13/29/90/182132990.db2.gz PCFSGQBTZGNFKL-UHFFFAOYSA-N 0 1 310.394 0.822 50 0 DCAAMN CN1CCN(CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000020727306 182244598 /nfs/dbraw/zinc/24/45/98/182244598.db2.gz QKSXSTHQTLQJHD-UHFFFAOYSA-N 0 1 301.387 0.351 50 0 DCAAMN O=S1(=O)C[C@H](O)[C@@H](NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000035380210 182773066 /nfs/dbraw/zinc/77/30/66/182773066.db2.gz FZQXFCKUFDXIGB-JYJNAYRXSA-N 0 1 324.446 0.571 50 0 DCAAMN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CCN1Cc1nccn1C ZINC000106666992 194242168 /nfs/dbraw/zinc/24/21/68/194242168.db2.gz MKYCNWYWZDMQHZ-HUUCEWRRSA-N 0 1 318.425 0.184 50 0 DCAAMN C[C@@H]1CN(C[C@@H](O)Cn2nnnc2-c2ccccn2)C[C@H](C)O1 ZINC000106794107 194254379 /nfs/dbraw/zinc/25/43/79/194254379.db2.gz TUPMEEGWQYWOAO-FRRDWIJNSA-N 0 1 318.381 0.205 50 0 DCAAMN CN1C[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1CO ZINC000065419252 184341152 /nfs/dbraw/zinc/34/11/52/184341152.db2.gz WCUQZFNQQPMLNP-OLZOCXBDSA-N 0 1 301.350 0.267 50 0 DCAAMN CC(=O)N1CCC(NC(=O)NCCCc2cn[nH]c2C)CC1 ZINC000065447666 184345823 /nfs/dbraw/zinc/34/58/23/184345823.db2.gz VUWRZGSMHLEVKV-UHFFFAOYSA-N 0 1 307.398 0.961 50 0 DCAAMN Cc1nc(N(C)C)nc(NCCN(C)S(C)(=O)=O)c1C ZINC000065451235 184346546 /nfs/dbraw/zinc/34/65/46/184346546.db2.gz JAFNEMGKAKVLMJ-UHFFFAOYSA-N 0 1 301.416 0.463 50 0 DCAAMN CCc1nc(C)c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)o1 ZINC000065395406 184335445 /nfs/dbraw/zinc/33/54/45/184335445.db2.gz UPMOMUCFFNMIGP-BONVTDFDSA-N 0 1 307.350 0.634 50 0 DCAAMN Cc1nn(C)c(C(=O)N2CCN(Cc3nnc[nH]3)CC2)c1Cl ZINC000426734217 257243486 /nfs/dbraw/zinc/24/34/86/257243486.db2.gz BFXJTMJFPZKAIH-UHFFFAOYSA-N 0 1 323.788 0.458 50 0 DCAAMN Cc1[nH+]ccn1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000426690292 257244272 /nfs/dbraw/zinc/24/42/72/257244272.db2.gz MIICDKIKAQITCY-ZDUSSCGKSA-N 0 1 303.318 0.709 50 0 DCAAMN COc1cccc(-n2c(CN)nnc2SC[C@@H](O)CO)c1 ZINC000426563537 257245691 /nfs/dbraw/zinc/24/56/91/257245691.db2.gz ZHKPIRVMLPBRSN-JTQLQIEISA-N 0 1 310.379 0.180 50 0 DCAAMN O=C(NCCc1cnc[nH]1)N1CCC2(CC1)OCCC[C@H]2O ZINC000426517984 257247455 /nfs/dbraw/zinc/24/74/55/257247455.db2.gz UKGMPAMVOMKLKT-CYBMUJFWSA-N 0 1 308.382 0.668 50 0 DCAAMN Cn1c(CN)nnc1SCC(=O)N1CCOc2ccccc21 ZINC000426484378 257249038 /nfs/dbraw/zinc/24/90/38/257249038.db2.gz BQJZTUFXWCILSL-UHFFFAOYSA-N 0 1 319.390 0.792 50 0 DCAAMN CN1C(=O)COc2ccc(C(=O)NCCc3c[nH]nn3)cc21 ZINC000426470973 257249659 /nfs/dbraw/zinc/24/96/59/257249659.db2.gz XPAPYOAAKKGSMJ-UHFFFAOYSA-N 0 1 301.306 0.132 50 0 DCAAMN CN1C(=O)COc2ccc(C(=O)NCCc3cnn[nH]3)cc21 ZINC000426470973 257249660 /nfs/dbraw/zinc/24/96/60/257249660.db2.gz XPAPYOAAKKGSMJ-UHFFFAOYSA-N 0 1 301.306 0.132 50 0 DCAAMN C[NH+](C)C[C@@H]1COCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000426412442 257251841 /nfs/dbraw/zinc/25/18/41/257251841.db2.gz LTQKUTAHYKTJPG-NSHDSACASA-N 0 1 320.393 0.710 50 0 DCAAMN Cc1ncsc1CC[N@@H+](C)Cc1cc(=O)n2[n-]cnc2n1 ZINC000334159608 257261743 /nfs/dbraw/zinc/26/17/43/257261743.db2.gz MUVUBKLFPWFOTO-UHFFFAOYSA-N 0 1 304.379 0.857 50 0 DCAAMN Cc1ncsc1CC[N@H+](C)Cc1cc(=O)n2[n-]cnc2n1 ZINC000334159608 257261744 /nfs/dbraw/zinc/26/17/44/257261744.db2.gz MUVUBKLFPWFOTO-UHFFFAOYSA-N 0 1 304.379 0.857 50 0 DCAAMN CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cnns3)CCO2)n1 ZINC000089893538 395716038 /nfs/dbraw/zinc/71/60/38/395716038.db2.gz AGYDXCRNGFAWAZ-QMMMGPOBSA-N 0 1 308.367 0.993 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(C(=O)c3cnns3)CCO2)n[nH]1 ZINC000089893538 395716039 /nfs/dbraw/zinc/71/60/39/395716039.db2.gz AGYDXCRNGFAWAZ-QMMMGPOBSA-N 0 1 308.367 0.993 50 0 DCAAMN Cc1nc(N)nc(N[C@@H]2C[NH+]3CCC2CC3)c1CCC(=O)[O-] ZINC000095389445 395740293 /nfs/dbraw/zinc/74/02/93/395740293.db2.gz DBORSZCPYNJZID-GFCCVEGCSA-N 0 1 305.382 0.891 50 0 DCAAMN Cc1ccn(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(=O)c1 ZINC000096455274 395753755 /nfs/dbraw/zinc/75/37/55/395753755.db2.gz BGOCARABDFFGFV-OAHLLOKOSA-N 0 1 321.421 0.630 50 0 DCAAMN CCc1nc(C)c(CC(=O)NCc2cc(COC)[nH]n2)c(=O)[nH]1 ZINC000219071873 395844531 /nfs/dbraw/zinc/84/45/31/395844531.db2.gz LZHRULHOCIFLIN-UHFFFAOYSA-N 0 1 319.365 0.369 50 0 DCAAMN O=C(Cc1ccc2c(c1)OCO2)NCCSc1cn[nH]n1 ZINC000221308765 395850208 /nfs/dbraw/zinc/85/02/08/395850208.db2.gz NYPOTTJQAZYCMI-UHFFFAOYSA-N 0 1 306.347 0.984 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)Cc1csc(-c2cnccn2)n1 ZINC000124325314 395900692 /nfs/dbraw/zinc/90/06/92/395900692.db2.gz ZMOYQOKCTXSOQG-SNVBAGLBSA-N 0 1 303.391 0.963 50 0 DCAAMN C[C@H]1CNCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000125781750 395905817 /nfs/dbraw/zinc/90/58/17/395905817.db2.gz ROEOAXGZOSSNLV-QFYYESIMSA-N 0 1 316.361 0.175 50 0 DCAAMN CCNC(=O)[C@H]1CCN(C(=O)CSc2n[nH]c(CC)n2)C1 ZINC000055108555 395911600 /nfs/dbraw/zinc/91/16/00/395911600.db2.gz JQJDCORUASVMIB-VIFPVBQESA-N 0 1 311.411 0.444 50 0 DCAAMN CCNC(=O)[C@H]1CCN(C(=O)CSc2nc(CC)n[nH]2)C1 ZINC000055108555 395911602 /nfs/dbraw/zinc/91/16/02/395911602.db2.gz JQJDCORUASVMIB-VIFPVBQESA-N 0 1 311.411 0.444 50 0 DCAAMN Cc1noc(CN(C)C(=O)CC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000244866590 395926284 /nfs/dbraw/zinc/92/62/84/395926284.db2.gz VYQMIXQWZLRNDY-LBPRGKRZSA-N 0 1 309.414 0.753 50 0 DCAAMN O=C(CN1CCC[C@@H](O)C1)N1CCN(Cc2ccccc2)CC1 ZINC000052875716 395873056 /nfs/dbraw/zinc/87/30/56/395873056.db2.gz DLRFNRDXICNGRK-QGZVFWFLSA-N 0 1 317.433 0.788 50 0 DCAAMN C[C@H](C(=O)NC1CC1)N1CCC(c2ccnn2CCO)CC1 ZINC000058343358 395953243 /nfs/dbraw/zinc/95/32/43/395953243.db2.gz ZVLQSZWHJYTYBT-GFCCVEGCSA-N 0 1 306.410 0.722 50 0 DCAAMN Cc1nc([C@@H]2CN([C@H](C)C(=O)NC[C@H]3CCCO3)CCO2)n[nH]1 ZINC000246797908 395957656 /nfs/dbraw/zinc/95/76/56/395957656.db2.gz AWYMUUXWRJTBPJ-RTXFEEFZSA-N 0 1 323.397 0.170 50 0 DCAAMN CCOC(=O)CN1C[C@@H]2C[N@H+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000065376566 395993080 /nfs/dbraw/zinc/99/30/80/395993080.db2.gz HLVOKMHPTKKYEP-MLGOLLRUSA-N 0 1 310.394 0.811 50 0 DCAAMN C[C@@H](CN1CCc2ccccc2C1)NC(=O)C1=NNC(=O)CC1 ZINC000067769835 396033069 /nfs/dbraw/zinc/03/30/69/396033069.db2.gz OGMFXJURTQEKKC-LBPRGKRZSA-N 0 1 314.389 0.815 50 0 DCAAMN NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2ccccc2F)CC1 ZINC000257196103 396036366 /nfs/dbraw/zinc/03/63/66/396036366.db2.gz XOPABVHWVUBUIK-ZBFHGGJFSA-N 0 1 321.396 0.711 50 0 DCAAMN C[C@H](NC(=O)CN1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1)C1CC1 ZINC000257366181 396047083 /nfs/dbraw/zinc/04/70/83/396047083.db2.gz MISFJFNXPIYAGY-PKWAYOAASA-N 0 1 322.409 0.211 50 0 DCAAMN CCCCn1nnnc1CNC[C@H]1CCc2nnc(CC)n2C1 ZINC000069739215 396088823 /nfs/dbraw/zinc/08/88/23/396088823.db2.gz ZLMBYHYTBVVUPN-GFCCVEGCSA-N 0 1 318.429 0.979 50 0 DCAAMN CN(CC(=O)N1CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000069872870 396093129 /nfs/dbraw/zinc/09/31/29/396093129.db2.gz HWQJZPWFHWLPNM-CQSZACIVSA-N 0 1 303.410 1.000 50 0 DCAAMN Cc1nc(CN2CCC[C@H](NCc3nnnn3C3CC3)C2)no1 ZINC000069928625 396095709 /nfs/dbraw/zinc/09/57/09/396095709.db2.gz DCXYTOHXCWRQJF-NSHDSACASA-N 0 1 318.385 0.454 50 0 DCAAMN Cc1nc(CNC(=O)CN2C(=O)CSc3ccccc32)n[nH]1 ZINC000071882339 396122516 /nfs/dbraw/zinc/12/25/16/396122516.db2.gz ONRIOERBCBDHIV-UHFFFAOYSA-N 0 1 317.374 0.868 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n[nH]1 ZINC000076045736 396193191 /nfs/dbraw/zinc/19/31/91/396193191.db2.gz DWRWDMZKUBNOOS-GFCCVEGCSA-N 0 1 305.338 0.861 50 0 DCAAMN CC(C)(C)c1nc([C@@H]2CN(CCn3cncn3)CCO2)n[nH]1 ZINC000076049745 396194183 /nfs/dbraw/zinc/19/41/83/396194183.db2.gz KZSNGTCHSUMNDU-NSHDSACASA-N 0 1 305.386 0.767 50 0 DCAAMN CC(C)(C)c1nnc([C@@H]2CN(CCn3cncn3)CCO2)[nH]1 ZINC000076049745 396194187 /nfs/dbraw/zinc/19/41/87/396194187.db2.gz KZSNGTCHSUMNDU-NSHDSACASA-N 0 1 305.386 0.767 50 0 DCAAMN Cc1nc([C@@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000076048079 396194226 /nfs/dbraw/zinc/19/42/26/396194226.db2.gz MQFGXQASYOJOFE-ZDUSSCGKSA-N 0 1 319.409 0.791 50 0 DCAAMN C[C@@H](NCCC(=O)N1CCOCC1)c1nnc2ccccn21 ZINC000182709975 396252716 /nfs/dbraw/zinc/25/27/16/396252716.db2.gz IMRCQVHYPDWTQR-GFCCVEGCSA-N 0 1 303.366 0.629 50 0 DCAAMN CCCN1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)CC1 ZINC000185883536 396336688 /nfs/dbraw/zinc/33/66/88/396336688.db2.gz ZJPMJTVFRUQXOT-UHFFFAOYSA-N 0 1 318.425 0.287 50 0 DCAAMN CC[C@H](C(=O)N1CCN(Cc2nnc[nH]2)CC1)n1cccn1 ZINC000584901723 396637101 /nfs/dbraw/zinc/63/71/01/396637101.db2.gz YDRYLMOSAYTAML-GFCCVEGCSA-N 0 1 303.370 0.297 50 0 DCAAMN O=C([O-])[C@H]1CC[C@H](C(=O)NCCCn2cccn2)[N@@H+]1C1CC1 ZINC000630657873 397072336 /nfs/dbraw/zinc/07/23/36/397072336.db2.gz WINYRIUTFMFYHE-CHWSQXEVSA-N 0 1 306.366 0.469 50 0 DCAAMN O=C([O-])[C@H]1CC[C@H](C(=O)NCCCn2cccn2)[N@H+]1C1CC1 ZINC000630657873 397072342 /nfs/dbraw/zinc/07/23/42/397072342.db2.gz WINYRIUTFMFYHE-CHWSQXEVSA-N 0 1 306.366 0.469 50 0 DCAAMN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000408093316 397346234 /nfs/dbraw/zinc/34/62/34/397346234.db2.gz OBYSCACUJXYZJM-MHEUCROKSA-N 0 1 311.426 0.469 50 0 DCAAMN Cc1nsc(NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000578090446 397389853 /nfs/dbraw/zinc/38/98/53/397389853.db2.gz LGKXUDJOJUFQDH-NXEZZACHSA-N 0 1 304.441 0.788 50 0 DCAAMN CN1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000000252400 415126885 /nfs/dbraw/zinc/12/68/85/415126885.db2.gz FYKZOKRROIVQAC-UHFFFAOYSA-N 0 1 320.780 0.931 50 0 DCAAMN C[C@@H]1C[C@@H](C)CN(CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937500 415236373 /nfs/dbraw/zinc/23/63/73/415236373.db2.gz 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ZINC000253395683 416334795 /nfs/dbraw/zinc/33/47/95/416334795.db2.gz PFCRWZDAWMUCET-KBPBESRZSA-N 0 1 315.377 0.180 50 0 DCAAMN CN1C[C@@]2(CCN(C(=O)c3ccc4[nH]nnc4c3)C2)OC1=O ZINC000215690511 416327297 /nfs/dbraw/zinc/32/72/97/416327297.db2.gz GHBPKUNAVUTJOK-CQSZACIVSA-N 0 1 301.306 0.625 50 0 DCAAMN CCOCCN1CCN(C[C@@H](O)CO[C@H](C)COC)CC1 ZINC000225570385 416327714 /nfs/dbraw/zinc/32/77/14/416327714.db2.gz HXBZZXARERGFBX-HUUCEWRRSA-N 0 1 304.431 0.053 50 0 DCAAMN O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238073577 416329813 /nfs/dbraw/zinc/32/98/13/416329813.db2.gz QXPMJPPLAQZIFC-CABCVRRESA-N 0 1 318.373 0.963 50 0 DCAAMN O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238073577 416329814 /nfs/dbraw/zinc/32/98/14/416329814.db2.gz QXPMJPPLAQZIFC-CABCVRRESA-N 0 1 318.373 0.963 50 0 DCAAMN C[C@H](C(=O)Nc1nccs1)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000241644452 416330127 /nfs/dbraw/zinc/33/01/27/416330127.db2.gz PQWCOEWILVCBTJ-GRYCIOLGSA-N 0 1 312.439 0.857 50 0 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/nfs/dbraw/zinc/96/62/20/1179966220.db2.gz CGGBQISVZGLEIS-YGRLFVJLSA-N 0 1 302.334 0.494 50 0 DCAAMN CN1CCC(O)(c2ncnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000823761103 758265208 /nfs/dbraw/zinc/26/52/08/758265208.db2.gz HIJLGXBEANMPQR-UHFFFAOYSA-N 0 1 316.361 0.952 50 0 DCAAMN O=S(=O)(NCCCN1CCC[C@H](O)C1)N1CCCCC1 ZINC000828627353 759048822 /nfs/dbraw/zinc/04/88/22/759048822.db2.gz GJOHKHDTJVVRBI-ZDUSSCGKSA-N 0 1 305.444 0.154 50 0 DCAAMN CN1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000585121115 766286792 /nfs/dbraw/zinc/28/67/92/766286792.db2.gz GLBREAZSHWFBRJ-CKEIUWERSA-N 0 1 323.437 0.206 50 0 DCAAMN C[C@](O)(CN1CCC[C@H](N2CCNCC2=O)C1)C(F)(F)F ZINC000952877367 768942410 /nfs/dbraw/zinc/94/24/10/768942410.db2.gz OZAUOBKIZXCOFS-JQWIXIFHSA-N 0 1 309.332 0.196 50 0 DCAAMN CCc1ocnc1C(=O)N1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529179956 1014513416 /nfs/dbraw/zinc/51/34/16/1014513416.db2.gz AEWDLGAJSRYUIE-ZYHUDNBSSA-N 0 1 304.350 0.944 50 0 DCAAMN 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/nfs/dbraw/zinc/74/65/73/290746573.db2.gz BXHJZKYHZITFDV-JSGCOSHPSA-N 0 1 310.419 0.463 50 0 DCAAMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC[C@](O)(CO)C1 ZINC000072120663 191039796 /nfs/dbraw/zinc/03/97/96/191039796.db2.gz IEPIPVQLDFDALR-OAHLLOKOSA-N 0 1 302.334 0.431 50 0 DCAAMN c1c(CN2CCCN(c3ncccn3)CC2)nn2c1CNCC2 ZINC000072129045 191042919 /nfs/dbraw/zinc/04/29/19/191042919.db2.gz ITFBPBHFGWXXRT-UHFFFAOYSA-N 0 1 313.409 0.489 50 0 DCAAMN Cc1nn(CCNC(=O)C[C@H]2COCCN2)c(C)c1Cl ZINC000072164650 191064931 /nfs/dbraw/zinc/06/49/31/191064931.db2.gz VBEULHBJICBKEP-NSHDSACASA-N 0 1 300.790 0.648 50 0 DCAAMN CC(=O)c1ccc(OC[C@@H](O)CN2CCC(C(N)=O)CC2)cc1 ZINC000000119043 180698970 /nfs/dbraw/zinc/69/89/70/180698970.db2.gz IXOJUAYLXGBRQX-HNNXBMFYSA-N 0 1 320.389 0.826 50 0 DCAAMN Cc1[nH+]ccn1C1(C(=O)[O-])CCN(C(=O)N2CCOCC2)CC1 ZINC000072447996 191169915 /nfs/dbraw/zinc/16/99/15/191169915.db2.gz YTGSSCYKQBMHIL-UHFFFAOYSA-N 0 1 322.365 0.519 50 0 DCAAMN Cn1cc(S(=O)(=O)Nc2cccc(F)c2)c(=O)n(C)c1=O 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WNRFVONWBBIZGG-LLVKDONJSA-N 0 1 320.374 0.523 50 0 DCAAMN CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cnc2cccc(C)n2c1=O ZINC000426477629 257249132 /nfs/dbraw/zinc/24/91/32/257249132.db2.gz BDTHTXNECKOYDE-STQMWFEESA-N 0 1 316.361 0.062 50 0 DCAAMN CCn1cc(S(=O)(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000257366054 257256645 /nfs/dbraw/zinc/25/66/45/257256645.db2.gz HSYBLVFYODAFGQ-DGCLKSJQSA-N 0 1 300.428 0.910 50 0 DCAAMN Nc1ncnc2[nH]c(N3CCN(C(=O)c4ccccc4)CC3)nc21 ZINC000000052490 395679621 /nfs/dbraw/zinc/67/96/21/395679621.db2.gz DWBXVUDEDOEGOA-UHFFFAOYSA-N 0 1 323.360 0.898 50 0 DCAAMN CCN1CCN(c2ccccc2NC(=O)Cn2cnnn2)CC1 ZINC000007989583 395683903 /nfs/dbraw/zinc/68/39/03/395683903.db2.gz LEBMCMWIKLFRRV-UHFFFAOYSA-N 0 1 315.381 0.454 50 0 DCAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2cnc(N)nc2)cc1 ZINC000033074050 395715872 /nfs/dbraw/zinc/71/58/72/395715872.db2.gz ZMEXZSSBVXTJOP-UHFFFAOYSA-N 0 1 307.335 0.818 50 0 DCAAMN O=S1(=O)C[C@H](O)[C@H](NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000035380209 395720092 /nfs/dbraw/zinc/72/00/92/395720092.db2.gz FZQXFCKUFDXIGB-PMPSAXMXSA-N 0 1 324.446 0.571 50 0 DCAAMN CC(=O)N[C@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)C(C)C ZINC000028012546 395695697 /nfs/dbraw/zinc/69/56/97/395695697.db2.gz XRKDFMZYIWIQEC-GJZGRUSLSA-N 0 1 313.442 0.620 50 0 DCAAMN C[C@@H]1CN(S(=O)(=O)CCNCc2cc[nH]c2)C[C@@H](C)O1 ZINC000096454142 395753940 /nfs/dbraw/zinc/75/39/40/395753940.db2.gz VFVIVKGEYUUTHM-VXGBXAGGSA-N 0 1 301.412 0.543 50 0 DCAAMN c1nc2c(c(N3CCOCC3)n1)CN(C[C@@H]1CCOC1)CC2 ZINC000097202024 395756022 /nfs/dbraw/zinc/75/60/22/395756022.db2.gz WMUZRHZCVBEAEB-ZDUSSCGKSA-N 0 1 304.394 0.708 50 0 DCAAMN C[C@H](C(=O)N1CCOCC1)N1CCC(c2cnn(C)c2)CC1 ZINC000097202684 395756085 /nfs/dbraw/zinc/75/60/85/395756085.db2.gz KUVFOIFHQDGSIJ-CYBMUJFWSA-N 0 1 306.410 0.847 50 0 DCAAMN Cc1c(C(=O)NCc2cc3n(n2)CCNC3)cnc2ccnn21 ZINC000097619646 395759049 /nfs/dbraw/zinc/75/90/49/395759049.db2.gz LJCZBYFQRGZPTJ-UHFFFAOYSA-N 0 1 311.349 0.267 50 0 DCAAMN C[C@H](CNS(=O)(=O)c1ccccc1F)N1CCN(C)CC1 ZINC000097598536 395759199 /nfs/dbraw/zinc/75/91/99/395759199.db2.gz RSDWICRAUKXYMG-GFCCVEGCSA-N 0 1 315.414 0.740 50 0 DCAAMN COc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)c(F)c1F ZINC000219347552 395845704 /nfs/dbraw/zinc/84/57/04/395845704.db2.gz IXVBVGHOMPLDJE-SNVBAGLBSA-N 0 1 313.348 0.949 50 0 DCAAMN Cc1nc(CC2CCN(C(=O)CN3CCC[C@@H](O)C3)CC2)no1 ZINC000220598078 395849005 /nfs/dbraw/zinc/84/90/05/395849005.db2.gz YYGDWQLKRMQFDN-CQSZACIVSA-N 0 1 322.409 0.616 50 0 DCAAMN CC(=O)N1CCCN([C@H]2CN(Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000221795280 395851243 /nfs/dbraw/zinc/85/12/43/395851243.db2.gz CABSESQOTSRDKF-WFASDCNBSA-N 0 1 321.425 0.753 50 0 DCAAMN Cc1nc([C@@H]2CCCN2C(=O)Cn2c(C)cc(C)nc2=O)n[nH]1 ZINC000222961665 395853625 /nfs/dbraw/zinc/85/36/25/395853625.db2.gz DLDCDOXXDIYZHQ-LBPRGKRZSA-N 0 1 316.365 0.650 50 0 DCAAMN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ncn[nH]1 ZINC000223477231 395855488 /nfs/dbraw/zinc/85/54/88/395855488.db2.gz STCWOGQRKRJYAE-OLZOCXBDSA-N 0 1 302.334 0.909 50 0 DCAAMN 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ZINC000153138792 396021711 /nfs/dbraw/zinc/02/17/11/396021711.db2.gz OVDIBFNJFPRUBR-CQSZACIVSA-N 0 1 306.362 0.821 50 0 DCAAMN C[C@@H](O)CN1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000069630448 396085680 /nfs/dbraw/zinc/08/56/80/396085680.db2.gz SWKCUXWNVSHHAD-CQSZACIVSA-N 0 1 305.422 0.887 50 0 DCAAMN CC[C@H]1CN(CC(=O)NCc2ccccn2)CCN1CCOC ZINC000069842252 396092080 /nfs/dbraw/zinc/09/20/80/396092080.db2.gz UGEJHJYQTDEJGM-INIZCTEOSA-N 0 1 320.437 0.740 50 0 DCAAMN O=C(C[C@H]1COCCN1)NCc1nncn1-c1ccccc1 ZINC000262040012 396092601 /nfs/dbraw/zinc/09/26/01/396092601.db2.gz GCVJLRYWJYYQLI-LBPRGKRZSA-N 0 1 301.350 0.262 50 0 DCAAMN Cn1cc([C@@H]2CCCN2CCN2C(=O)NC(C)(C)C2=O)cn1 ZINC000071797216 396115532 /nfs/dbraw/zinc/11/55/32/396115532.db2.gz SUPORJYWXMSUNO-LBPRGKRZSA-N 0 1 305.382 0.887 50 0 DCAAMN CCN(CCC(=O)Nc1ccc2c(c1)OCO2)CC(=O)NC ZINC000071818879 396116352 /nfs/dbraw/zinc/11/63/52/396116352.db2.gz HCIPUHPYRFMXFP-UHFFFAOYSA-N 0 1 307.350 0.812 50 0 DCAAMN COCc1ccccc1CNC(=O)CN1CC[C@@H](C(N)=O)C1 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/nfs/dbraw/zinc/93/98/65/396939865.db2.gz KGQVLHWFAFUWOJ-LLVKDONJSA-N 0 1 318.370 0.242 50 0 DCAAMN O=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000045053240 415243575 /nfs/dbraw/zinc/24/35/75/415243575.db2.gz NLEIDVFKIIOOPP-AWEZNQCLSA-N 0 1 318.377 0.751 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000044893834 415227823 /nfs/dbraw/zinc/22/78/23/415227823.db2.gz CHIQDFRSEANCEG-GFCCVEGCSA-N 0 1 310.398 0.068 50 0 DCAAMN Cc1[nH]nc(CCC(=O)N2CC[NH2+]C[C@@H](CC(=O)[O-])C2)c1C ZINC000071753129 415411497 /nfs/dbraw/zinc/41/14/97/415411497.db2.gz DFUWVOQSTYTFMU-GFCCVEGCSA-N 0 1 308.382 0.482 50 0 DCAAMN O=C(NCCSc1cn[nH]n1)[C@@H]1COc2ccccc2O1 ZINC000067605091 415379674 /nfs/dbraw/zinc/37/96/74/415379674.db2.gz HTAGCISHMJHCGN-NSHDSACASA-N 0 1 306.347 0.853 50 0 DCAAMN CN1CCO[C@@H](CNCC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000075133331 415438037 /nfs/dbraw/zinc/43/80/37/415438037.db2.gz PQIGXHAUOGJNSE-HNNXBMFYSA-N 0 1 316.405 0.543 50 0 DCAAMN 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YKRYWBWQKKPVHX-ZNMIVQPWSA-N 0 1 313.442 0.323 50 0 DCAAMN C[C@H](C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1)n1ccnc1 ZINC000069770359 396089276 /nfs/dbraw/zinc/08/92/76/396089276.db2.gz BHIJCXRBSFKNMR-KGLIPLIRSA-N 0 1 308.426 0.995 50 0 DCAAMN Cc1cnn(CC(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)c1 ZINC000069952038 396096622 /nfs/dbraw/zinc/09/66/22/396096622.db2.gz XHGWMBFJVKKUMF-CQSZACIVSA-N 0 1 308.426 0.743 50 0 DCAAMN C[C@@H]1CN(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)CCO1 ZINC000071821652 396116136 /nfs/dbraw/zinc/11/61/36/396116136.db2.gz OMJBLVXMKKPQTC-GFCCVEGCSA-N 0 1 320.393 0.106 50 0 DCAAMN CCOc1ccc(C[C@H](CNC(=O)c2cnn[nH]2)C(N)=O)cc1 ZINC000071841588 396118967 /nfs/dbraw/zinc/11/89/67/396118967.db2.gz CNTWROUEERQUBD-LLVKDONJSA-N 0 1 317.349 0.277 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N1CCOCC1 ZINC000071880504 396122415 /nfs/dbraw/zinc/12/24/15/396122415.db2.gz NKYWBHUHENTBKI-LSDHHAIUSA-N 0 1 309.410 0.321 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)n[nH]1 ZINC000076045183 396192705 /nfs/dbraw/zinc/19/27/05/396192705.db2.gz YHUIASCYVQYEPB-NSHDSACASA-N 0 1 303.322 0.026 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)CCOCC(F)(F)F)CCO2)n[nH]1 ZINC000076045113 396193009 /nfs/dbraw/zinc/19/30/09/396193009.db2.gz DDEVBMZNVNUALX-SECBINFHSA-N 0 1 322.287 0.982 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)o1 ZINC000076050714 396194259 /nfs/dbraw/zinc/19/42/59/396194259.db2.gz QCIIPCSPMUPLRS-NXEZZACHSA-N 0 1 315.395 0.210 50 0 DCAAMN CCN1C[C@@H](C)[C@H](NS(=O)(=O)c2cccc(C(N)=O)c2)C1 ZINC000076058366 396195095 /nfs/dbraw/zinc/19/50/95/396195095.db2.gz QHLODQSUAKNYLR-ZWNOBZJWSA-N 0 1 311.407 0.404 50 0 DCAAMN O=C(CN1CCCN(CCN2CCCC2=O)CC1)N1CCCC1 ZINC000079954211 396273273 /nfs/dbraw/zinc/27/32/73/396273273.db2.gz MFURDVCFAJKAEI-UHFFFAOYSA-N 0 1 322.453 0.239 50 0 DCAAMN Cc1cc(=O)[n-]c(NCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000077376995 396220408 /nfs/dbraw/zinc/22/04/08/396220408.db2.gz DQDCIGPERRJPBC-CYBMUJFWSA-N 0 1 322.409 0.808 50 0 DCAAMN O=S(=O)(N1CCCC1)N1CCN(C2CCOCC2)CC1 ZINC000080826954 396287369 /nfs/dbraw/zinc/28/73/69/396287369.db2.gz BAEZTEBEEIRGGS-UHFFFAOYSA-N 0 1 303.428 0.124 50 0 DCAAMN C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000269082874 396384689 /nfs/dbraw/zinc/38/46/89/396384689.db2.gz JCHGALKJURPZNK-GXTWGEPZSA-N 0 1 306.362 0.819 50 0 DCAAMN C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000269082874 396384692 /nfs/dbraw/zinc/38/46/92/396384692.db2.gz JCHGALKJURPZNK-GXTWGEPZSA-N 0 1 306.362 0.819 50 0 DCAAMN C[C@H](O)[C@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140255 396641405 /nfs/dbraw/zinc/64/14/05/396641405.db2.gz AXWAMOGQHHUWOQ-DZGCQCFKSA-N 0 1 308.378 0.935 50 0 DCAAMN C[C@H](O)[C@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140255 396641407 /nfs/dbraw/zinc/64/14/07/396641407.db2.gz AXWAMOGQHHUWOQ-DZGCQCFKSA-N 0 1 308.378 0.935 50 0 DCAAMN O=C(COc1ccccc1)N1CCC(O)(c2nn[nH]n2)CC1 ZINC000585139780 396641588 /nfs/dbraw/zinc/64/15/88/396641588.db2.gz QTISFMBLJVXZKC-UHFFFAOYSA-N 0 1 303.322 0.089 50 0 DCAAMN O=C(Cn1ncccc1=O)N[C@H]1CCN(Cc2ccsc2)C1 ZINC000618256978 396942470 /nfs/dbraw/zinc/94/24/70/396942470.db2.gz NLMYKOHSBWJGAN-ZDUSSCGKSA-N 0 1 318.402 0.696 50 0 DCAAMN COCC1(C(=O)N2CCN(C)[C@]3(C2)CCNC(=O)CC3)CC1 ZINC000091636986 292212064 /nfs/dbraw/zinc/21/20/64/292212064.db2.gz FFSPPXUXIIBFRW-INIZCTEOSA-N 0 1 309.410 0.226 50 0 DCAAMN O=c1cc(CN2CCN(CCO)CC2)nc2ccc(Cl)cn12 ZINC000044871622 415228021 /nfs/dbraw/zinc/22/80/21/415228021.db2.gz HZRNPDCDJBFJSX-UHFFFAOYSA-N 0 1 322.796 0.458 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCSC2=O)C1 ZINC000044874988 415229455 /nfs/dbraw/zinc/22/94/55/415229455.db2.gz VTFFKUICVORGDW-LBPRGKRZSA-N 0 1 315.439 0.628 50 0 DCAAMN CC[C@H]1CN(CC(=O)NCc2ccccn2)CCN1C[C@@H](C)O ZINC000075129474 415438292 /nfs/dbraw/zinc/43/82/92/415438292.db2.gz YJUXBNNVRDQYIJ-ZBFHGGJFSA-N 0 1 320.437 0.475 50 0 DCAAMN O=C(CO)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095364149 415552964 /nfs/dbraw/zinc/55/29/64/415552964.db2.gz VFHWSQWMEZXPQX-USXIJHARSA-N 0 1 302.374 0.773 50 0 DCAAMN O=C([O-])C[N@@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@@H](O)C1 ZINC000097088620 415582096 /nfs/dbraw/zinc/58/20/96/415582096.db2.gz XXFLGMLNZABPMD-CQSZACIVSA-N 0 1 306.362 0.185 50 0 DCAAMN CCn1ccnc1CN1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000106929563 415657053 /nfs/dbraw/zinc/65/70/53/415657053.db2.gz BHZZLOZWTRJPAA-JKSUJKDBSA-N 0 1 321.469 0.740 50 0 DCAAMN COCCCn1cnnc1CNC(=O)CN1CCCCCC1 ZINC000299759716 416065042 /nfs/dbraw/zinc/06/50/42/416065042.db2.gz QVHNYGRMIPPRGZ-UHFFFAOYSA-N 0 1 309.414 0.807 50 0 DCAAMN CS(=O)(=O)CC[C@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000195544367 416326841 /nfs/dbraw/zinc/32/68/41/416326841.db2.gz XHEYVUZKUIGRQQ-NSHDSACASA-N 0 1 316.810 0.991 50 0 DCAAMN O=C(c1cc(=O)[n-]o1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000216298000 416327385 /nfs/dbraw/zinc/32/73/85/416327385.db2.gz MYMBBUBBXKDGOV-UHFFFAOYSA-N 0 1 302.334 0.711 50 0 DCAAMN O=C(c1cc(=O)[n-]o1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000216298000 416327386 /nfs/dbraw/zinc/32/73/86/416327386.db2.gz MYMBBUBBXKDGOV-UHFFFAOYSA-N 0 1 302.334 0.711 50 0 DCAAMN CNC(=O)c1noc(CN2CCC(c3nc(C)n[nH]3)CC2)n1 ZINC000244774240 416331080 /nfs/dbraw/zinc/33/10/80/416331080.db2.gz PQHGRKJDYDHTLF-UHFFFAOYSA-N 0 1 305.342 0.235 50 0 DCAAMN CNC(=O)c1noc(CN2CCC(c3nnc(C)[nH]3)CC2)n1 ZINC000244774240 416331081 /nfs/dbraw/zinc/33/10/81/416331081.db2.gz PQHGRKJDYDHTLF-UHFFFAOYSA-N 0 1 305.342 0.235 50 0 DCAAMN Cc1csc(S(=O)(=O)NCC2(O)CCN(C)CC2)c1 ZINC000451237933 417321904 /nfs/dbraw/zinc/32/19/04/417321904.db2.gz SASUFDXMEGSPOJ-UHFFFAOYSA-N 0 1 304.437 0.792 50 0 DCAAMN CNC(=O)C(=O)NC[C@H](c1cccn1C)N1CCCCCC1 ZINC000011898809 277221611 /nfs/dbraw/zinc/22/16/11/277221611.db2.gz OQBPDASEKCYFKU-CQSZACIVSA-N 0 1 306.410 0.804 50 0 DCAAMN Cc1nc2c(c(=O)n1C)CCN(c1ncnc3[nH]cnc31)CC2 ZINC000067559741 282008040 /nfs/dbraw/zinc/00/80/40/282008040.db2.gz NTIIQYXIMDHEHU-UHFFFAOYSA-N 0 1 311.349 0.360 50 0 DCAAMN CNC(=O)C1(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)CC1 ZINC000069771607 290349781 /nfs/dbraw/zinc/34/97/81/290349781.db2.gz RLVOXBDHMGWVET-GFCCVEGCSA-N 0 1 311.426 0.064 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCN1 ZINC000188387156 524868398 /nfs/dbraw/zinc/86/83/98/524868398.db2.gz YHSQQHHVIFKMAU-HWPZZCPQSA-N 0 1 316.361 0.175 50 0 DCAAMN Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000237743518 527115650 /nfs/dbraw/zinc/11/56/50/527115650.db2.gz HPVQPIGTUIRYKN-LBPRGKRZSA-N 0 1 303.366 0.398 50 0 DCAAMN COC[C@H](C)NC(=O)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000670447679 547095360 /nfs/dbraw/zinc/09/53/60/547095360.db2.gz AYKRQCLPUJVAKV-ZDUSSCGKSA-N 0 1 311.426 0.472 50 0 DCAAMN Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000670466113 547099384 /nfs/dbraw/zinc/09/93/84/547099384.db2.gz YCMVMVZCVYAXII-ZDUSSCGKSA-N 0 1 300.428 0.989 50 0 DCAAMN C[N@@H+]1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C[C@H]1C(=O)[O-] ZINC000067842435 664605203 /nfs/dbraw/zinc/60/52/03/664605203.db2.gz XRAKXSCMWBMZJI-ZDUSSCGKSA-N 0 1 315.333 0.313 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C[C@H]1C(=O)[O-] ZINC000067842435 664605205 /nfs/dbraw/zinc/60/52/05/664605205.db2.gz XRAKXSCMWBMZJI-ZDUSSCGKSA-N 0 1 315.333 0.313 50 0 DCAAMN C[C@H](Cn1cncn1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000952983660 685602085 /nfs/dbraw/zinc/60/20/85/685602085.db2.gz UQQBDRDBZHDHHY-CYBMUJFWSA-N 0 1 307.398 0.237 50 0 DCAAMN CC(C)Cc1n[nH]c(NC(=O)NCc2nnc3n2CCC3)n1 ZINC000023505593 685052921 /nfs/dbraw/zinc/05/29/21/685052921.db2.gz IRPIFPQUJFIWRR-UHFFFAOYSA-N 0 1 304.358 0.863 50 0 DCAAMN CC(C)Cc1nc(NC(=O)NCc2nnc3n2CCC3)n[nH]1 ZINC000023505593 685052931 /nfs/dbraw/zinc/05/29/31/685052931.db2.gz IRPIFPQUJFIWRR-UHFFFAOYSA-N 0 1 304.358 0.863 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3n[nH]cc3Cl)C[C@H]2O)n[nH]1 ZINC001704301272 1179966902 /nfs/dbraw/zinc/96/69/02/1179966902.db2.gz SIIBTWHHQZLNQF-LDYMZIIASA-N 0 1 309.757 0.770 50 0 DCAAMN Nc1ncc(CN2CCC[C@@]3(CCc4cnc(N)nc43)C2)cn1 ZINC001704305572 1179967951 /nfs/dbraw/zinc/96/79/51/1179967951.db2.gz LKCPWHCFVCCJDV-MRXNPFEDSA-N 0 1 311.393 0.911 50 0 DCAAMN CO[C@H](C)CS(=O)(=O)Nc1nsnc1Br ZINC000585129065 754920643 /nfs/dbraw/zinc/92/06/43/754920643.db2.gz XAAHODIJUSLOCS-SCSAIBSYSA-N 0 1 316.202 1.077 50 0 DCAAMN CCCn1nccc1S(=O)(=O)NC[C@@]1(C)CC[N@@H+](C)C1 ZINC000823032918 758219333 /nfs/dbraw/zinc/21/93/33/758219333.db2.gz FFHPECGROOVBHH-CYBMUJFWSA-N 0 1 300.428 0.913 50 0 DCAAMN CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]([NH3+])c1ccccc1 ZINC000952878848 768942257 /nfs/dbraw/zinc/94/22/57/768942257.db2.gz JXKDJPQUOBHVQZ-NSPYISDASA-N 0 1 320.440 0.095 50 0 DCAAMN CN(C)CCc1nnc(NC(=O)CCc2ccnn2C)s1 ZINC001506410113 1017259128 /nfs/dbraw/zinc/25/91/28/1017259128.db2.gz JJFAMXCOYYTSPA-UHFFFAOYSA-N 0 1 308.411 0.947 50 0 DCAAMN CN1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095399369 185353840 /nfs/dbraw/zinc/35/38/40/185353840.db2.gz LBRNRTRRAUCHFX-ZDUSSCGKSA-N 0 1 300.366 0.967 50 0 DCAAMN COC[C@@H](N)C(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 ZINC000082156795 192362954 /nfs/dbraw/zinc/36/29/54/192362954.db2.gz XNCUNMBFWOYVPR-OAHLLOKOSA-N 0 1 319.405 0.448 50 0 DCAAMN Cc1nc2ccc(CC(=O)NCCS(=O)(=O)N(C)C)cc2[nH]1 ZINC000071736503 191020160 /nfs/dbraw/zinc/02/01/60/191020160.db2.gz HKBBECLAKLJXKK-UHFFFAOYSA-N 0 1 324.406 0.421 50 0 DCAAMN O=C(NCCc1csc(-c2ccncc2)n1)[C@H]1CNCCO1 ZINC000072128400 191042765 /nfs/dbraw/zinc/04/27/65/191042765.db2.gz HHURMMWLANMICP-CYBMUJFWSA-N 0 1 318.402 0.852 50 0 DCAAMN CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ncc[nH]1 ZINC000072158297 191061574 /nfs/dbraw/zinc/06/15/74/191061574.db2.gz UTCSYZOBWPXFDD-LBPRGKRZSA-N 0 1 307.398 0.215 50 0 DCAAMN O=C(C[C@H]1COCCN1)N1CCC(Nc2ccccn2)CC1 ZINC000072161581 191062517 /nfs/dbraw/zinc/06/25/17/191062517.db2.gz RXSNAKUBBWWWKQ-AWEZNQCLSA-N 0 1 304.394 0.863 50 0 DCAAMN Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CN1CCCC1)C2 ZINC000072163268 191063122 /nfs/dbraw/zinc/06/31/22/191063122.db2.gz 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/nfs/dbraw/zinc/31/19/35/201311935.db2.gz ZVOPNXASDGERML-UONOGXRCSA-N 0 1 306.362 0.519 50 0 DCAAMN CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000194926131 201311937 /nfs/dbraw/zinc/31/19/37/201311937.db2.gz ZVOPNXASDGERML-UONOGXRCSA-N 0 1 306.362 0.519 50 0 DCAAMN C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000091664495 193086435 /nfs/dbraw/zinc/08/64/35/193086435.db2.gz POSHJCLZSDZGPY-UZGDPCLZSA-N 0 1 310.394 0.665 50 0 DCAAMN NC(=O)C1CCN(CC(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000091713409 193096473 /nfs/dbraw/zinc/09/64/73/193096473.db2.gz LNBJXRRKMJIOIE-HNNXBMFYSA-N 0 1 316.405 0.942 50 0 DCAAMN O=C(CN1CCCC1=O)NCC1(N2CCOCC2)CCCCC1 ZINC000020937964 182255647 /nfs/dbraw/zinc/25/56/47/182255647.db2.gz DBMIIXNVGZLGNT-UHFFFAOYSA-N 0 1 323.437 0.760 50 0 DCAAMN CN(Cc1noc(-c2ccccc2)n1)C(=O)Nc1nn[nH]n1 ZINC000023159639 182352219 /nfs/dbraw/zinc/35/22/19/182352219.db2.gz VKGJUOMCYQTJPA-UHFFFAOYSA-N 0 1 300.282 0.914 50 0 DCAAMN 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/nfs/dbraw/zinc/63/68/60/396636860.db2.gz OBKBPCUWJSJGRT-UHFFFAOYSA-N 0 1 304.354 0.570 50 0 DCAAMN CC(=O)c1c(C)nn(CCC(=O)NCCc2cnn[nH]2)c1C ZINC000584903431 396636864 /nfs/dbraw/zinc/63/68/64/396636864.db2.gz OBKBPCUWJSJGRT-UHFFFAOYSA-N 0 1 304.354 0.570 50 0 DCAAMN Cn1cccc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1=O ZINC000299770363 396714475 /nfs/dbraw/zinc/71/44/75/396714475.db2.gz SFHBEEPMJZDDAK-KBPBESRZSA-N 0 1 301.350 0.323 50 0 DCAAMN O=C(N[C@H]1CCc2nc[nH]c2C1)[C@H]1COCCN1CC(F)F ZINC000332853348 159215072 /nfs/dbraw/zinc/21/50/72/159215072.db2.gz VPAWGERQCVVEMY-JOYOIKCWSA-N 0 1 314.336 0.349 50 0 DCAAMN COc1ccc(CNCCNC(=O)c2nonc2N)c(OC)c1 ZINC000004998060 415127701 /nfs/dbraw/zinc/12/77/01/415127701.db2.gz VDIJKJWMLXXAFG-UHFFFAOYSA-N 0 1 321.337 0.189 50 0 DCAAMN CC(=O)N[C@@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(C)C ZINC000048355665 415289535 /nfs/dbraw/zinc/28/95/35/415289535.db2.gz XRKDFMZYIWIQEC-HUUCEWRRSA-N 0 1 313.442 0.620 50 0 DCAAMN C[N@@H+](CCO)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O 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1157843968 /nfs/dbraw/zinc/84/39/68/1157843968.db2.gz PWROVXKCWKQYIP-RYUDHWBXSA-N 0 1 321.381 0.103 50 0 DCAAMN O=C([O-])[C@@]12C[N@@H+](Cc3ccccc3OCCO)C[C@@H]1COCC2 ZINC001772710855 1157848216 /nfs/dbraw/zinc/84/82/16/1157848216.db2.gz SRJAJULHASTGRC-PBHICJAKSA-N 0 1 321.373 0.981 50 0 DCAAMN COCCc1noc(CN2C[C@H](O)[C@H](Cc3cc(C)n[nH]3)C2)n1 ZINC001704298653 1179964487 /nfs/dbraw/zinc/96/44/87/1179964487.db2.gz KKINVJAJMMGBEI-YPMHNXCESA-N 0 1 321.381 0.325 50 0 DCAAMN CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1scc3c1OCCO3)C2 ZINC001704314914 1179970720 /nfs/dbraw/zinc/97/07/20/1179970720.db2.gz YCXQNHYEYYQIII-QWRGUYRKSA-N 0 1 324.402 0.922 50 0 DCAAMN Cc1ncc(CN(CCO)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[nH]1 ZINC001704329224 1179975513 /nfs/dbraw/zinc/97/55/13/1179975513.db2.gz ORHXDWYYFUYQAH-LBPRGKRZSA-N 0 1 322.409 0.686 50 0 DCAAMN COc1ccc([C@H](C(=O)[O-])N2CCC[N@@H+](C)CC2)c(OC)n1 ZINC000824640904 758780323 /nfs/dbraw/zinc/78/03/23/758780323.db2.gz IPPISOPELHDBHO-CYBMUJFWSA-N 0 1 309.366 0.862 50 0 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395852842 /nfs/dbraw/zinc/85/28/42/395852842.db2.gz LLAGZHRWPPAZAJ-UHFFFAOYSA-N 0 1 310.408 0.904 50 0 DCAAMN C[C@H]1CNCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000125781507 395905858 /nfs/dbraw/zinc/90/58/58/395905858.db2.gz ROEOAXGZOSSNLV-MGPLVRAMSA-N 0 1 316.361 0.175 50 0 DCAAMN CCN(Cc1ccncc1)C(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000055308901 395916737 /nfs/dbraw/zinc/91/67/37/395916737.db2.gz UYDGUZPQNCQLQA-AWEZNQCLSA-N 0 1 304.394 0.627 50 0 DCAAMN Cc1noc(CN(C)C(=O)CC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000244866589 395925627 /nfs/dbraw/zinc/92/56/27/395925627.db2.gz VYQMIXQWZLRNDY-GFCCVEGCSA-N 0 1 309.414 0.753 50 0 DCAAMN Cc1n[nH]c(CN2CCN(c3cc(=O)[nH]c(N)n3)CC2)c1Cl ZINC000067742011 396032522 /nfs/dbraw/zinc/03/25/22/396032522.db2.gz RVNSPPOCGNXGPS-UHFFFAOYSA-N 0 1 323.788 0.359 50 0 DCAAMN Cc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)cc1C(N)=O ZINC000257366096 396047102 /nfs/dbraw/zinc/04/71/02/396047102.db2.gz IXBOUKTXJQXCPC-MFKMUULPSA-N 0 1 311.407 0.322 50 0 DCAAMN 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309.410 0.625 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NC1CCOCC1 ZINC000071880482 396122639 /nfs/dbraw/zinc/12/26/39/396122639.db2.gz NTHZKDRBNCSZFR-HZPDHXFCSA-N 0 1 323.437 0.757 50 0 DCAAMN O=C(c1ccc(=O)[nH]n1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000069326508 396074707 /nfs/dbraw/zinc/07/47/07/396074707.db2.gz WPRKZFQOPVRWDK-GFCCVEGCSA-N 0 1 306.366 0.509 50 0 DCAAMN CCCc1nc([C@H]2CN(C(=O)CCn3ccnc3)CCO2)n[nH]1 ZINC000076046227 396192823 /nfs/dbraw/zinc/19/28/23/396192823.db2.gz MAYZLMBHRTWKLS-GFCCVEGCSA-N 0 1 318.381 0.944 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(C(=O)CCn3ccnc3)CCO2)n1 ZINC000076046227 396192827 /nfs/dbraw/zinc/19/28/27/396192827.db2.gz MAYZLMBHRTWKLS-GFCCVEGCSA-N 0 1 318.381 0.944 50 0 DCAAMN Cc1nc([C@H]2CN(CC(=O)N(C)c3nccs3)CCO2)n[nH]1 ZINC000076048757 396193869 /nfs/dbraw/zinc/19/38/69/396193869.db2.gz KXJWPNNOIQQZKN-SNVBAGLBSA-N 0 1 322.394 0.606 50 0 DCAAMN Cc1n[nH]c(CCCNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000080979875 396290686 /nfs/dbraw/zinc/29/06/86/396290686.db2.gz 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CC(C)N(CCOc1ccc(S(N)(=O)=O)cc1)C1COC1 ZINC000408519637 528910538 /nfs/dbraw/zinc/91/05/38/528910538.db2.gz JLBUEOLRQUXFHR-UHFFFAOYSA-N 0 1 314.407 0.822 50 0 DCAAMN CCN1CCN(CC(=O)NCCc2noc(C3CC3)n2)CC1 ZINC000299802674 529138108 /nfs/dbraw/zinc/13/81/08/529138108.db2.gz NFVQKBCRHPQZPE-UHFFFAOYSA-N 0 1 307.398 0.243 50 0 DCAAMN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCn2cccn2)C1 ZINC000084281249 545700468 /nfs/dbraw/zinc/70/04/68/545700468.db2.gz RSXAIZOUDYEFPN-CQSZACIVSA-N 0 1 318.381 0.698 50 0 DCAAMN CC(C)c1n[nH]c([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000084630923 545701597 /nfs/dbraw/zinc/70/15/97/545701597.db2.gz YSFPGBQRVKAEPS-NSHDSACASA-N 0 1 318.385 0.823 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(Cc3nnnn3C3CC3)CCO2)n[nH]1 ZINC000084630923 545701602 /nfs/dbraw/zinc/70/16/02/545701602.db2.gz YSFPGBQRVKAEPS-NSHDSACASA-N 0 1 318.385 0.823 50 0 DCAAMN CC(C)c1ocnc1C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000670433944 547087850 /nfs/dbraw/zinc/08/78/50/547087850.db2.gz ZXWMQBCPFGGHAU-UHFFFAOYSA-N 0 1 304.354 0.874 50 0 DCAAMN O=S(=O)(NCc1n[nH]c2c1CCCCC2)N1CCOCC1 ZINC000670446666 547095201 /nfs/dbraw/zinc/09/52/01/547095201.db2.gz HDTZIQJNSPIZMY-UHFFFAOYSA-N 0 1 314.411 0.345 50 0 DCAAMN CN(C)C(=O)c1ccc(CN[C@H]2COC[C@H]2Oc2cn[nH]c2)[nH]1 ZINC000685940840 548746801 /nfs/dbraw/zinc/74/68/01/548746801.db2.gz JNZKKZPTRNAEKD-UONOGXRCSA-N 0 1 319.365 0.376 50 0 DCAAMN O=C([O-])c1cccc(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000685945029 548748962 /nfs/dbraw/zinc/74/89/62/548748962.db2.gz PBSPYRDQUPHFNA-HNNXBMFYSA-N 0 1 317.389 0.433 50 0 DCAAMN O[C@]1(c2c[nH]nn2)CCN(c2ncnc3ccc(F)cc32)C1 ZINC000793992873 669764145 /nfs/dbraw/zinc/76/41/45/669764145.db2.gz QEXQLYHYIQTITP-CQSZACIVSA-N 0 1 300.297 0.985 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000952964993 685598426 /nfs/dbraw/zinc/59/84/26/685598426.db2.gz DZNYUDQFPRZZRQ-TZMCWYRMSA-N 0 1 323.368 0.173 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3cc(O)ccc3N)C[C@@H]2O)n[nH]1 ZINC001704299589 1179965022 /nfs/dbraw/zinc/96/50/22/1179965022.db2.gz 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Cc1nc(CN2CCC[C@H](CNC(=O)c3ccon3)C2)n[nH]1 ZINC000825261912 758801089 /nfs/dbraw/zinc/80/10/89/758801089.db2.gz ZAOGWEHPOWWSLC-LLVKDONJSA-N 0 1 304.354 0.743 50 0 DCAAMN O=S(=O)(CC1CCCC1)NCCCN1CCC[C@@H](O)C1 ZINC000828627379 759048778 /nfs/dbraw/zinc/04/87/78/759048778.db2.gz JBXYYFYFGUDEFY-CQSZACIVSA-N 0 1 304.456 0.943 50 0 DCAAMN OC1CCN(c2cc(NCCSc3cn[nH]n3)ncn2)CC1 ZINC001529187454 1014517296 /nfs/dbraw/zinc/51/72/96/1014517296.db2.gz SQGMXCJWMVTRJY-UHFFFAOYSA-N 0 1 321.410 0.760 50 0 DCAAMN Cc1nnnn1-c1ccc(C(=O)N2CCCN(C)CC2)cc1 ZINC000095473564 185372902 /nfs/dbraw/zinc/37/29/02/185372902.db2.gz CCPDCGATKCURCL-UHFFFAOYSA-N 0 1 300.366 0.748 50 0 DCAAMN O=C(Cn1cnnn1)Nc1cc(-c2c(F)cccc2F)[nH]n1 ZINC000095408854 185356866 /nfs/dbraw/zinc/35/68/66/185356866.db2.gz MNGXXCNYRBLZAQ-UHFFFAOYSA-N 0 1 305.248 0.980 50 0 DCAAMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1csnn1 ZINC000095431020 185363253 /nfs/dbraw/zinc/36/32/53/185363253.db2.gz NPVCEVZZULGHQI-CYBMUJFWSA-N 0 1 318.402 0.687 50 0 DCAAMN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CN1CCCC1 ZINC000058196427 295778088 /nfs/dbraw/zinc/77/80/88/295778088.db2.gz UZFSGJNQBIHLLX-OLZOCXBDSA-N 0 1 315.439 0.443 50 0 DCAAMN O=C(CO)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000072129178 191042724 /nfs/dbraw/zinc/04/27/24/191042724.db2.gz QEVGKBJXRXRNFE-INIZCTEOSA-N 0 1 303.406 0.792 50 0 DCAAMN O=C(NCc1csc(-c2cnccn2)n1)[C@@H]1CNCCO1 ZINC000072150856 191055700 /nfs/dbraw/zinc/05/57/00/191055700.db2.gz RGKAQKAJCIPXGE-NSHDSACASA-N 0 1 305.363 0.205 50 0 DCAAMN O=C(C[C@H]1COCCN1)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000072166133 191064670 /nfs/dbraw/zinc/06/46/70/191064670.db2.gz NZCNTKHOYRDUIR-LBPRGKRZSA-N 0 1 304.394 0.940 50 0 DCAAMN O=C(C[C@H]1COCCN1)NCCc1noc(C2CCCC2)n1 ZINC000072164466 191065617 /nfs/dbraw/zinc/06/56/17/191065617.db2.gz RPIKUNLFPDZTIH-LBPRGKRZSA-N 0 1 308.382 0.764 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)[C@@H]3CCN(C)C(=O)C3)CCO2)n[nH]1 ZINC000089289710 192759944 /nfs/dbraw/zinc/75/99/44/192759944.db2.gz FTKHPXJUPDRHAI-MNOVXSKESA-N 0 1 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/nfs/dbraw/zinc/02/41/21/396024121.db2.gz DMSIATKIKNVOSM-OUAUKWLOSA-N 0 1 316.427 0.953 50 0 DCAAMN CN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000253396249 396026928 /nfs/dbraw/zinc/02/69/28/396026928.db2.gz AXYKNMJUHMDTRZ-UONOGXRCSA-N 0 1 301.346 0.801 50 0 DCAAMN C[N@H+]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000067805868 396033840 /nfs/dbraw/zinc/03/38/40/396033840.db2.gz YAHTYDSGLXZUQG-LLVKDONJSA-N 0 1 312.753 0.815 50 0 DCAAMN CCn1nc(C)c(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)c1C ZINC000257366453 396046970 /nfs/dbraw/zinc/04/69/70/396046970.db2.gz ZJCVWROAHABVOS-SKDRFNHKSA-N 0 1 300.428 0.748 50 0 DCAAMN CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000069699925 396087098 /nfs/dbraw/zinc/08/70/98/396087098.db2.gz ZXJQMAQVELKZHL-MCIONIFRSA-N 0 1 314.451 0.896 50 0 DCAAMN C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000170091466 396094417 /nfs/dbraw/zinc/09/44/17/396094417.db2.gz IFVPQKMEVUAUCM-AWEZNQCLSA-N 0 1 316.361 0.480 50 0 DCAAMN 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CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CN2CCCCC2=O)C1 ZINC000331921622 234278315 /nfs/dbraw/zinc/27/83/15/234278315.db2.gz BUCMFBAVDSDIMP-NEPJUHHUSA-N 0 1 321.381 0.414 50 0 DCAAMN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CNCCO1 ZINC000237851434 202370173 /nfs/dbraw/zinc/37/01/73/202370173.db2.gz SWTBPNFXIQIQRL-YPMHNXCESA-N 0 1 307.325 0.036 50 0 DCAAMN CN(C)CC[C@H](NC(=O)N1CC(S(C)(=O)=O)C1)C(C)(C)C ZINC000408523577 239273058 /nfs/dbraw/zinc/27/30/58/239273058.db2.gz LKQDQFMDECWVKB-LBPRGKRZSA-N 0 1 319.471 0.791 50 0 DCAAMN CC(C)[C@H]1C[N@@H+](CCC(=O)[O-])C[C@@H]1NC(=O)c1ccc(CO)o1 ZINC000091655948 193085603 /nfs/dbraw/zinc/08/56/03/193085603.db2.gz QRLBHHDOGZHFCC-OLZOCXBDSA-N 0 1 324.377 0.933 50 0 DCAAMN CNS(=O)(=O)CCNCc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000092022834 193143981 /nfs/dbraw/zinc/14/39/81/193143981.db2.gz IHLOVYDASUWMHA-UHFFFAOYSA-N 0 1 323.418 0.784 50 0 DCAAMN NC(=O)NC(=O)CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000024245164 182377916 /nfs/dbraw/zinc/37/79/16/182377916.db2.gz 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/nfs/dbraw/zinc/02/25/54/396022554.db2.gz YXKGXKHVFFVRNF-GJZGRUSLSA-N 0 1 305.378 0.830 50 0 DCAAMN CCOc1ccc(CN2C[C@@H](CO)[C@H](NC(=O)COC)C2)cc1 ZINC000253407355 396027123 /nfs/dbraw/zinc/02/71/23/396027123.db2.gz JTRGMOFEWQTMBZ-GOEBONIOSA-N 0 1 322.405 0.641 50 0 DCAAMN Cn1nccc1CCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000253421173 396027995 /nfs/dbraw/zinc/02/79/95/396027995.db2.gz REHKBIMIPWWFHA-HNNXBMFYSA-N 0 1 306.410 0.676 50 0 DCAAMN Cn1nccc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO ZINC000253413752 396028220 /nfs/dbraw/zinc/02/82/20/396028220.db2.gz VPEYUGIHYCEPHY-LSDHHAIUSA-N 0 1 314.389 0.643 50 0 DCAAMN CC[C@@H](CO)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000253430443 396028456 /nfs/dbraw/zinc/02/84/56/396028456.db2.gz FGCHNYNYUUBYSQ-AWEZNQCLSA-N 0 1 305.426 0.970 50 0 DCAAMN Cc1nc([C@H]2CCCN2CCn2c(=O)cc(C)[nH]c2=O)n[nH]1 ZINC000253537411 396030173 /nfs/dbraw/zinc/03/01/73/396030173.db2.gz WQIXEODHLZUITH-LLVKDONJSA-N 0 1 304.354 0.521 50 0 DCAAMN CC[N@H+]1CC[C@H]2CN(C(=O)CCO)C[C@@]2(c2nc(C)no2)C1 ZINC000257191939 396034937 /nfs/dbraw/zinc/03/49/37/396034937.db2.gz RVUFLOQRJCFDJS-WFASDCNBSA-N 0 1 308.382 0.182 50 0 DCAAMN CCN1CC[C@H]2CN(C(=O)CCO)C[C@@]2(c2nc(C)no2)C1 ZINC000257191939 396034942 /nfs/dbraw/zinc/03/49/42/396034942.db2.gz RVUFLOQRJCFDJS-WFASDCNBSA-N 0 1 308.382 0.182 50 0 DCAAMN O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CO)C1CC1 ZINC000257189211 396035208 /nfs/dbraw/zinc/03/52/08/396035208.db2.gz HRSMBFKQXMNNMW-JKSUJKDBSA-N 0 1 316.401 0.940 50 0 DCAAMN O=C(N[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1CO)C1CC1 ZINC000257189211 396035210 /nfs/dbraw/zinc/03/52/10/396035210.db2.gz HRSMBFKQXMNNMW-JKSUJKDBSA-N 0 1 316.401 0.940 50 0 DCAAMN CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000249703436 396011556 /nfs/dbraw/zinc/01/15/56/396011556.db2.gz ZXJQMAQVELKZHL-MJBXVCDLSA-N 0 1 314.451 0.896 50 0 DCAAMN COc1cc(C)nc(N2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000069920329 396094475 /nfs/dbraw/zinc/09/44/75/396094475.db2.gz XEHQTUMZLBGJQH-UHFFFAOYSA-N 0 1 302.338 0.479 50 0 DCAAMN C[C@H](O)CN1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000070036375 396098319 /nfs/dbraw/zinc/09/83/19/396098319.db2.gz NZGGYERQOISOST-NHYWBVRUSA-N 0 1 300.349 0.997 50 0 DCAAMN CCc1[nH+]ccn1CC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-] ZINC000072474131 396131379 /nfs/dbraw/zinc/13/13/79/396131379.db2.gz KXHIYYFDVSGYTM-CYBMUJFWSA-N 0 1 303.322 0.379 50 0 DCAAMN Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)N2CCO[C@H](C)C2)n1 ZINC000069491511 396080525 /nfs/dbraw/zinc/08/05/25/396080525.db2.gz DPNTWEFHROFVDW-DOMZBBRYSA-N 0 1 321.425 0.607 50 0 DCAAMN Cc1ccc(N2CCCN(C(=O)CN(C)C3CC3)CC2)nn1 ZINC000075603324 396182749 /nfs/dbraw/zinc/18/27/49/396182749.db2.gz NSCWZEZFJIMZDT-UHFFFAOYSA-N 0 1 303.410 0.918 50 0 DCAAMN Cc1nc(CNC(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)n[nH]1 ZINC000076065963 396195842 /nfs/dbraw/zinc/19/58/42/396195842.db2.gz ALTDVGFDBKKWDV-SECBINFHSA-N 0 1 312.337 0.644 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(C(=O)Cn3cncn3)CCO2)n1 ZINC000078888916 396256027 /nfs/dbraw/zinc/25/60/27/396256027.db2.gz 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/nfs/dbraw/zinc/13/30/80/415133080.db2.gz LCAQOBKMSUZOAW-UHFFFAOYSA-N 0 1 306.362 0.475 50 0 DCAAMN CN(CCO)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000049633515 415309629 /nfs/dbraw/zinc/30/96/29/415309629.db2.gz QZWJZFLMIOIMTJ-UHFFFAOYSA-N 0 1 312.167 0.881 50 0 DCAAMN CC(C)[C@H](C)NC(=O)C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000058296612 415341198 /nfs/dbraw/zinc/34/11/98/415341198.db2.gz UECYOFMJUMCZHC-QWRGUYRKSA-N 0 1 312.414 0.443 50 0 DCAAMN Cn1nnnc1SCCNC(=O)[C@H]1Cc2ccccc2CN1 ZINC000067689206 415386789 /nfs/dbraw/zinc/38/67/89/415386789.db2.gz WUFRBWLINYTGPS-GFCCVEGCSA-N 0 1 318.406 0.133 50 0 DCAAMN Cc1ccccc1[C@H](C(=O)NCCc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC000095371055 415555177 /nfs/dbraw/zinc/55/51/77/415555177.db2.gz VUHFSFWCHNUMGS-CYBMUJFWSA-N 0 1 303.366 0.368 50 0 DCAAMN C[C@H](NC(=O)N(C)C[C@H](O)CN1CCN(C)CC1)C(C)(C)C ZINC000095411296 415560057 /nfs/dbraw/zinc/56/00/57/415560057.db2.gz GNSADXZPTLDPDQ-KBPBESRZSA-N 0 1 314.474 0.671 50 0 DCAAMN CC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 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CCOC(=O)CC1(S(=O)(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000242164682 416330385 /nfs/dbraw/zinc/33/03/85/416330385.db2.gz WWYVNSXWYVUIEP-LBPRGKRZSA-N 0 1 316.423 0.582 50 0 DCAAMN CCOC(=O)CC1(S(=O)(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000242164681 416330599 /nfs/dbraw/zinc/33/05/99/416330599.db2.gz WWYVNSXWYVUIEP-GFCCVEGCSA-N 0 1 316.423 0.582 50 0 DCAAMN Cc1nc(CCN(C)C(=O)CC[C@H](C)N2CCOCC2)no1 ZINC000244691009 416330650 /nfs/dbraw/zinc/33/06/50/416330650.db2.gz JAYXFITZFXQWCG-LBPRGKRZSA-N 0 1 310.398 0.880 50 0 DCAAMN CN1CC[C@H](C(=O)Nc2ncc(C(F)(F)F)[nH]2)S1(=O)=O ZINC000649214233 418210435 /nfs/dbraw/zinc/21/04/35/418210435.db2.gz PZWMRBUFJRYUQI-RXMQYKEDSA-N 0 1 312.273 0.401 50 0 DCAAMN CO[C@H]1CN(C)C[C@@H]1NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000534582575 334289919 /nfs/dbraw/zinc/28/99/19/334289919.db2.gz DCCQQZHELLPLFO-RYUDHWBXSA-N 0 1 302.334 0.394 50 0 DCAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCCO[C@@H](Cn2cccn2)C1 ZINC000215826208 545938950 /nfs/dbraw/zinc/93/89/50/545938950.db2.gz 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/nfs/dbraw/zinc/19/69/19/667196919.db2.gz DZSUJIGRKFYXPM-YPMHNXCESA-N 0 1 307.394 0.765 50 0 DCAAMN CCc1nc(C)cc(N2C[C@@H]3COC[C@H](C2)[N@@H+](CC(=O)[O-])C3)n1 ZINC001704307505 1179967775 /nfs/dbraw/zinc/96/77/75/1179967775.db2.gz IEACJFYQOCAICP-OLZOCXBDSA-N 0 1 320.393 0.569 50 0 DCAAMN CCN1CCCN(S(=O)(=O)N2CCC(COC)CC2)CC1 ZINC000824372255 758771931 /nfs/dbraw/zinc/77/19/31/758771931.db2.gz QSWRTFKHUQAJIY-UHFFFAOYSA-N 0 1 319.471 0.617 50 0 DCAAMN O=S(=O)(N1CCCC1)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000828388633 759001637 /nfs/dbraw/zinc/00/16/37/759001637.db2.gz QUIOCQLFOKOXJH-CQSZACIVSA-N 0 1 317.455 0.371 50 0 DCAAMN Cc1noc([C@H]2CN(C[C@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117437 766286396 /nfs/dbraw/zinc/28/63/96/766286396.db2.gz CMIKZBJLEPBZOJ-ZIAGYGMSSA-N 0 1 321.425 0.925 50 0 DCAAMN Cc1noc([C@@H]2CN(C[C@@H]3CCCCN(C)C3=O)CCN2C)n1 ZINC000585117434 766286693 /nfs/dbraw/zinc/28/66/93/766286693.db2.gz CMIKZBJLEPBZOJ-KBPBESRZSA-N 0 1 321.425 0.925 50 0 DCAAMN 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0 DCAAMN CN1CCN([C@H]2CN(c3ccc4cc[nH]c4n3)C[C@@H]2O)CC1 ZINC000072136985 191046255 /nfs/dbraw/zinc/04/62/55/191046255.db2.gz XACUNHPCXMYXRQ-KBPBESRZSA-N 0 1 301.394 0.360 50 0 DCAAMN O=C(C[C@H]1COCCN1)NCc1csc(N2CCCC2)n1 ZINC000072134761 191046329 /nfs/dbraw/zinc/04/63/29/191046329.db2.gz CTDKRKRSMFZGAZ-NSHDSACASA-N 0 1 310.423 0.738 50 0 DCAAMN Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C2CCCC2)[nH]n1 ZINC000072154991 191058554 /nfs/dbraw/zinc/05/85/54/191058554.db2.gz BGHVHNHPEORKQM-AWEZNQCLSA-N 0 1 319.409 0.467 50 0 DCAAMN Cc1nc([C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n[nH]1 ZINC000072300119 191114528 /nfs/dbraw/zinc/11/45/28/191114528.db2.gz ZUJLSPRPCXRDNL-NSHDSACASA-N 0 1 303.370 0.693 50 0 DCAAMN O[C@@H](Cn1ccnc1-c1cc2n(n1)CCNC2)c1ccccn1 ZINC000072433646 191164908 /nfs/dbraw/zinc/16/49/08/191164908.db2.gz ACQCBXNAOPBSLN-HNNXBMFYSA-N 0 1 310.361 0.978 50 0 DCAAMN Cc1nc([C@H](NC(=O)[C@H]2CNCCO2)c2ccccc2F)no1 ZINC000187786579 200156644 /nfs/dbraw/zinc/15/66/44/200156644.db2.gz 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/nfs/dbraw/zinc/01/27/09/183012709.db2.gz GSZHQQRPVYFNQY-UHFFFAOYSA-N 0 1 311.323 0.272 50 0 DCAAMN O=c1cc(C[NH2+]CCN2CCOCC2)c2ccc([O-])cc2o1 ZINC000040161230 183041000 /nfs/dbraw/zinc/04/10/00/183041000.db2.gz GPTBNBSKEDDJNQ-UHFFFAOYSA-N 0 1 304.346 0.920 50 0 DCAAMN CNCc1nnc(SC[C@@H]2CCCS(=O)(=O)C2)n1C ZINC000426715815 257243561 /nfs/dbraw/zinc/24/35/61/257243561.db2.gz CSTAZZZZEMFZDV-VIFPVBQESA-N 0 1 304.441 0.451 50 0 DCAAMN O=C(C[C@H]1C(=O)NCCN1CC1CCCCC1)N1CCCO1 ZINC000011841350 395686844 /nfs/dbraw/zinc/68/68/44/395686844.db2.gz VXXDYTQTAQOPFR-AWEZNQCLSA-N 0 1 309.410 0.921 50 0 DCAAMN CC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)cc1 ZINC000013721597 395689027 /nfs/dbraw/zinc/68/90/27/395689027.db2.gz SUGKGNFTALIJMH-LLVKDONJSA-N 0 1 314.305 0.759 50 0 DCAAMN CC(=O)N1C[C@H]2C[N@@H+](Cc3nccnc3C)C[C@@]2(C(=O)[O-])C1 ZINC000096140346 395746286 /nfs/dbraw/zinc/74/62/86/395746286.db2.gz QWWMQAFJGWFVJA-IUODEOHRSA-N 0 1 304.350 0.150 50 0 DCAAMN O=C(N[C@H]1CN2CCC1CC2)c1coc(CN2CCOCC2)c1 ZINC000097522096 395758806 /nfs/dbraw/zinc/75/88/06/395758806.db2.gz HXBBPSDEOZSMNX-INIZCTEOSA-N 0 1 319.405 0.936 50 0 DCAAMN O=C([O-])[C@]12CN(CCn3cnnc3)C[C@H]1C[N@H+](CC1CCC1)C2 ZINC000097797284 395760959 /nfs/dbraw/zinc/76/09/59/395760959.db2.gz GKDIMIGIBCLOLF-HOCLYGCPSA-N 0 1 319.409 0.397 50 0 DCAAMN O=C([O-])[C@]12CN(CCn3cnnc3)C[C@H]1C[N@@H+](CC1CCC1)C2 ZINC000097797284 395760961 /nfs/dbraw/zinc/76/09/61/395760961.db2.gz GKDIMIGIBCLOLF-HOCLYGCPSA-N 0 1 319.409 0.397 50 0 DCAAMN O=C(NCCNC(=O)[C@H]1CNCCO1)c1ccccc1Cl ZINC000097775887 395761031 /nfs/dbraw/zinc/76/10/31/395761031.db2.gz TYZCXLZZNGYQRY-GFCCVEGCSA-N 0 1 311.769 0.174 50 0 DCAAMN Cc1nn(C)c(C)c1CNc1c(=O)c(=O)c1NCCN(C)C ZINC000101697701 395766589 /nfs/dbraw/zinc/76/65/89/395766589.db2.gz RHIRUXBGKXZBAO-UHFFFAOYSA-N 0 1 305.382 0.219 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)Cn2ccnc2)C1 ZINC000048364940 395814042 /nfs/dbraw/zinc/81/40/42/395814042.db2.gz QYKLIZKZMGNNHW-GJZGRUSLSA-N 0 1 323.441 0.928 50 0 DCAAMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CCSCC1 ZINC000219810201 395846527 /nfs/dbraw/zinc/84/65/27/395846527.db2.gz MZEPWMZQMFAZFZ-ZDUSSCGKSA-N 0 1 310.423 0.811 50 0 DCAAMN Cc1ccnc(NCCNC(=O)CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000244874533 395925777 /nfs/dbraw/zinc/92/57/77/395925777.db2.gz XCYGPNLMRCNEBR-CQSZACIVSA-N 0 1 305.426 0.554 50 0 DCAAMN Cc1nc([C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n[nH]1 ZINC000229302123 395873989 /nfs/dbraw/zinc/87/39/89/395873989.db2.gz LAUULORXDFXSFE-TZMCWYRMSA-N 0 1 322.365 0.657 50 0 DCAAMN CN1C[C@H](NC(=O)c2ccc3c(c2)OCCN3C)C[C@H]1CO ZINC000065374110 395992811 /nfs/dbraw/zinc/99/28/11/395992811.db2.gz CRCMIIOZOQFAIN-OLZOCXBDSA-N 0 1 305.378 0.310 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)C[C@@H](C)N1 ZINC000153438128 396025116 /nfs/dbraw/zinc/02/51/16/396025116.db2.gz IOQNARWKYQEWQI-UMVBOHGHSA-N 0 1 324.446 0.851 50 0 DCAAMN C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000067774852 396033309 /nfs/dbraw/zinc/03/33/09/396033309.db2.gz AMUOPYAJFWNHMP-NSHDSACASA-N 0 1 306.318 0.185 50 0 DCAAMN Cn1cc(C[N@H+]2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)cn1 ZINC000257194582 396035979 /nfs/dbraw/zinc/03/59/79/396035979.db2.gz UHWFLGJUUWWATB-QWHCGFSZSA-N 0 1 303.366 0.888 50 0 DCAAMN Cn1cc(CN2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)cn1 ZINC000257194582 396035981 /nfs/dbraw/zinc/03/59/81/396035981.db2.gz UHWFLGJUUWWATB-QWHCGFSZSA-N 0 1 303.366 0.888 50 0 DCAAMN CN(CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)C1CC1 ZINC000252490481 396020699 /nfs/dbraw/zinc/02/06/99/396020699.db2.gz KUULQHSGBLFPIF-UHFFFAOYSA-N 0 1 321.343 0.998 50 0 DCAAMN Cc1cc2c(cc1S(=O)(=O)N(C)Cc1nnc[nH]1)OCO2 ZINC000252492119 396020734 /nfs/dbraw/zinc/02/07/34/396020734.db2.gz MDFYHUDWZRCULK-UHFFFAOYSA-N 0 1 310.335 0.663 50 0 DCAAMN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000169785273 396092598 /nfs/dbraw/zinc/09/25/98/396092598.db2.gz KWXVEEJMODNQFY-VIFPVBQESA-N 0 1 311.342 0.907 50 0 DCAAMN CC(C)(O)CN1CCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000069947144 396095391 /nfs/dbraw/zinc/09/53/91/396095391.db2.gz WGTPPVOJEXPMOX-UHFFFAOYSA-N 0 1 317.393 0.346 50 0 DCAAMN CCCCN(CCO)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000070947740 396106717 /nfs/dbraw/zinc/10/67/17/396106717.db2.gz YMSVUUJWMMLTKN-UHFFFAOYSA-N 0 1 315.458 0.308 50 0 DCAAMN CCOc1ncccc1C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000071867493 396119782 /nfs/dbraw/zinc/11/97/82/396119782.db2.gz VIGAEAQTHMSUKQ-CYBMUJFWSA-N 0 1 306.410 0.846 50 0 DCAAMN COC[C@H](N)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000262343578 396127862 /nfs/dbraw/zinc/12/78/62/396127862.db2.gz TUJNLCRNSQCUBT-AWEZNQCLSA-N 0 1 300.362 0.731 50 0 DCAAMN CN(CC(=O)N1CCOCC1)C[C@H]1CCCN1c1cccnn1 ZINC000072279448 396129139 /nfs/dbraw/zinc/12/91/39/396129139.db2.gz MYVZMYIUEVFUOG-CQSZACIVSA-N 0 1 319.409 0.236 50 0 DCAAMN C[C@]1([C@@H]2CCCN(CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300681 396130694 /nfs/dbraw/zinc/13/06/94/396130694.db2.gz MOFZTVBUWLTVPQ-MLGOLLRUSA-N 0 1 322.409 0.213 50 0 DCAAMN Cc1cc(CNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)no1 ZINC000069386713 396076467 /nfs/dbraw/zinc/07/64/67/396076467.db2.gz MDKNFKNHRIAXSR-UHFFFAOYSA-N 0 1 315.333 0.795 50 0 DCAAMN CCCc1nc([C@H]2CN(C(=O)CCn3ccnn3)CCO2)n[nH]1 ZINC000076046094 396192653 /nfs/dbraw/zinc/19/26/53/396192653.db2.gz VNVBPODGKOIDDL-LLVKDONJSA-N 0 1 319.369 0.339 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(C(=O)CCn3ccnn3)CCO2)n1 ZINC000076046094 396192656 /nfs/dbraw/zinc/19/26/56/396192656.db2.gz VNVBPODGKOIDDL-LLVKDONJSA-N 0 1 319.369 0.339 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n[nH]1 ZINC000076045159 396193037 /nfs/dbraw/zinc/19/30/37/396193037.db2.gz VWEMTSUTIMNJJK-ZDUSSCGKSA-N 0 1 318.381 0.606 50 0 DCAAMN Cc1noc(C)c1CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000078789292 396254245 /nfs/dbraw/zinc/25/42/45/396254245.db2.gz CVMJQAXWMGMIIQ-GJZGRUSLSA-N 0 1 307.394 0.892 50 0 DCAAMN CCS(=O)(=O)CCN1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 ZINC000078892734 396257349 /nfs/dbraw/zinc/25/73/49/396257349.db2.gz MBATYOKGBJIGMP-LLVKDONJSA-N 0 1 316.427 0.736 50 0 DCAAMN CCS(=O)(=O)CCN1CCO[C@@H](c2n[nH]c(C(C)C)n2)C1 ZINC000078892734 396257352 /nfs/dbraw/zinc/25/73/52/396257352.db2.gz MBATYOKGBJIGMP-LLVKDONJSA-N 0 1 316.427 0.736 50 0 DCAAMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCOC[C@H](CO)C1 ZINC000077565070 396226359 /nfs/dbraw/zinc/22/63/59/396226359.db2.gz ANKSWQHEJRPVOJ-NSHDSACASA-N 0 1 302.334 0.553 50 0 DCAAMN COCCCCN1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000584886765 396632342 /nfs/dbraw/zinc/63/23/42/396632342.db2.gz MKRYUKJBSPLLCA-UHFFFAOYSA-N 0 1 307.394 0.570 50 0 DCAAMN CN1CCN([C@@H]2CCN(C(=O)c3cc(F)ccc3O)C2)CC1 ZINC000584900689 396636139 /nfs/dbraw/zinc/63/61/39/396636139.db2.gz QPDCHCXBLOEESU-CYBMUJFWSA-N 0 1 307.369 0.993 50 0 DCAAMN Cc1nsc(NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000578090447 397389916 /nfs/dbraw/zinc/38/99/16/397389916.db2.gz LGKXUDJOJUFQDH-UWVGGRQHSA-N 0 1 304.441 0.788 50 0 DCAAMN CCN1CCN(CC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000579541993 397578397 /nfs/dbraw/zinc/57/83/97/397578397.db2.gz WNBNCGTUJUEROA-UHFFFAOYSA-N 0 1 305.426 0.753 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@H](C)N1 ZINC000179161476 296876945 /nfs/dbraw/zinc/87/69/45/296876945.db2.gz BAGCBKJVODXIIP-UTINFBMNSA-N 0 1 307.316 0.652 50 0 DCAAMN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1c(OC)ncnc1OC ZINC000057531511 415338361 /nfs/dbraw/zinc/33/83/61/415338361.db2.gz VABYANJLSUQUIS-VIFPVBQESA-N 0 1 324.362 0.460 50 0 DCAAMN Cc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(=O)[nH]1 ZINC000075118568 415436664 /nfs/dbraw/zinc/43/66/64/415436664.db2.gz IGGKDWRTNACFIJ-CYBMUJFWSA-N 0 1 307.394 0.770 50 0 DCAAMN Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000095363749 415555099 /nfs/dbraw/zinc/55/50/99/415555099.db2.gz REVROGVBQJEZRY-LLVKDONJSA-N 0 1 304.354 0.324 50 0 DCAAMN O=C(CC1Cc2ccccc2C1)N1CCN(CCO)C[C@H](O)C1 ZINC000097117561 415587799 /nfs/dbraw/zinc/58/77/99/415587799.db2.gz XQDGZLFPHQOTKA-KRWDZBQOSA-N 0 1 318.417 0.289 50 0 DCAAMN COCCC1(CNC(=O)NC[C@H]2CN(C)CCN2C)CCC1 ZINC000107363208 415666452 /nfs/dbraw/zinc/66/64/52/415666452.db2.gz 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/nfs/dbraw/zinc/52/69/84/417526984.db2.gz PZDOHCPVKUWGMW-GFCCVEGCSA-N 0 1 307.379 0.909 50 0 DCAAMN CN(Cc1ccc(OCC(N)=O)c(Cl)c1)[C@H]1COC[C@@H]1O ZINC000215749469 545937975 /nfs/dbraw/zinc/93/79/75/545937975.db2.gz NGHPMOVBJJGRPF-RYUDHWBXSA-N 0 1 314.769 0.396 50 0 DCAAMN O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@@H]1CNCCO1 ZINC000299758479 229403785 /nfs/dbraw/zinc/40/37/85/229403785.db2.gz NPJUMFRWAVYOKO-JTQLQIEISA-N 0 1 324.287 0.619 50 0 DCAAMN O[C@@H]1CN(Cc2ccco2)CCN(c2ncnc3nc[nH]c32)C1 ZINC000097213187 275054476 /nfs/dbraw/zinc/05/44/76/275054476.db2.gz IPFZKMHFECTRMR-LLVKDONJSA-N 0 1 314.349 0.629 50 0 DCAAMN CC(C)(C)C(=O)NCCC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000089621319 278288019 /nfs/dbraw/zinc/28/80/19/278288019.db2.gz ZJHYSDLONQHWJD-UHFFFAOYSA-N 0 1 313.442 0.454 50 0 DCAAMN C[C@H](C(=O)NCC(F)(F)F)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000106908701 298147305 /nfs/dbraw/zinc/14/73/05/298147305.db2.gz ZLIBFPUUMJCMMN-GARJFASQSA-N 0 1 311.348 0.440 50 0 DCAAMN CO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccccc1-n1cccn1 ZINC000534674647 334322059 /nfs/dbraw/zinc/32/20/59/334322059.db2.gz PLLPYQINJLABEW-ZFWWWQNUSA-N 0 1 300.362 0.931 50 0 DCAAMN CN1C(=O)C[C@@H](C(=O)N2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000237056247 523696864 /nfs/dbraw/zinc/69/68/64/523696864.db2.gz XBDSJFLATDIBMO-HIFRSBDPSA-N 0 1 305.353 0.777 50 0 DCAAMN O=C(c1cccc(-c2nnc[nH]2)c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000332786229 546060466 /nfs/dbraw/zinc/06/04/66/546060466.db2.gz TUUQLLBVAPZBNZ-OLZOCXBDSA-N 0 1 311.345 0.965 50 0 DCAAMN COc1ccc2nc(CNC(=O)c3coc(CN)n3)[nH]c2c1 ZINC000670456064 547097195 /nfs/dbraw/zinc/09/71/95/547097195.db2.gz FCXFEZRXCSYRBZ-UHFFFAOYSA-N 0 1 301.306 0.948 50 0 DCAAMN O=C(CN1CCCC1)NC1CCN(C(=O)N2CCOCC2)CC1 ZINC000670455958 547097919 /nfs/dbraw/zinc/09/79/19/547097919.db2.gz MRNYDHJBEJIKFM-UHFFFAOYSA-N 0 1 324.425 0.115 50 0 DCAAMN CCN1C(=O)NC(=O)C12CCN(c1nc(N)nc(C)c1C)CC2 ZINC000091690548 657886071 /nfs/dbraw/zinc/88/60/71/657886071.db2.gz AEVWOTZNCZSJQI-UHFFFAOYSA-N 0 1 318.381 0.586 50 0 DCAAMN N[C@@]1(C(=O)[O-])CC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000067821867 663362104 /nfs/dbraw/zinc/36/21/04/663362104.db2.gz ZCJVFKOFWAWNPE-INIZCTEOSA-N 0 1 300.362 0.919 50 0 DCAAMN N[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000067821867 663362105 /nfs/dbraw/zinc/36/21/05/663362105.db2.gz ZCJVFKOFWAWNPE-INIZCTEOSA-N 0 1 300.362 0.919 50 0 DCAAMN NC(=O)CC1CCN(S(=O)(=O)c2cc(F)ccc2O)CC1 ZINC000952992172 685602538 /nfs/dbraw/zinc/60/25/38/685602538.db2.gz BGDIBMOGOMLFTF-UHFFFAOYSA-N 0 1 316.354 0.807 50 0 DCAAMN CC(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccccc2)n[nH]1 ZINC000065417115 685064748 /nfs/dbraw/zinc/06/47/48/685064748.db2.gz KGFVQOVDYBNNFD-LBPRGKRZSA-N 0 1 301.350 0.838 50 0 DCAAMN CC(=O)N[C@@H](CCC(N)=O)c1n[nH]c(Cc2ccccc2)n1 ZINC000065417115 685064753 /nfs/dbraw/zinc/06/47/53/685064753.db2.gz KGFVQOVDYBNNFD-LBPRGKRZSA-N 0 1 301.350 0.838 50 0 DCAAMN CCN1CCO[C@H](CCNC(=O)c2nnc3n2CCCCC3)C1 ZINC000067741555 685068885 /nfs/dbraw/zinc/06/88/85/685068885.db2.gz 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/nfs/dbraw/zinc/95/48/47/775954847.db2.gz CUGJPRGVOMMVIF-UHFFFAOYSA-N 0 1 302.338 0.992 50 0 DCAAMN Cc1cc(C[C@@H]2C[N@@H+](Cc3c[nH]nc3C(=O)[O-])C[C@@H]2O)[nH]n1 ZINC001529168010 1014511832 /nfs/dbraw/zinc/51/18/32/1014511832.db2.gz VFJVQQXXHQVCSH-SKDRFNHKSA-N 0 1 305.338 0.175 50 0 DCAAMN Cc1cc(C[C@@H]2C[N@H+](Cc3c[nH]nc3C(=O)[O-])C[C@@H]2O)n[nH]1 ZINC001529168010 1014511843 /nfs/dbraw/zinc/51/18/43/1014511843.db2.gz VFJVQQXXHQVCSH-SKDRFNHKSA-N 0 1 305.338 0.175 50 0 DCAAMN Cc1cc(C[C@@H]2C[N@@H+](Cc3c[nH]nc3C(=O)[O-])C[C@@H]2O)n[nH]1 ZINC001529168010 1014511849 /nfs/dbraw/zinc/51/18/49/1014511849.db2.gz VFJVQQXXHQVCSH-SKDRFNHKSA-N 0 1 305.338 0.175 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)c3ccc[nH]c3=O)CCO2)n[nH]1 ZINC000083830019 192385495 /nfs/dbraw/zinc/38/54/95/192385495.db2.gz ULKHQZWAUOOOIT-JTQLQIEISA-N 0 1 303.322 0.269 50 0 DCAAMN Cc1cc(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)n[nH]1 ZINC000072151081 191056231 /nfs/dbraw/zinc/05/62/31/191056231.db2.gz NAPGMGMLCMQBDK-UHFFFAOYSA-N 0 1 302.338 0.066 50 0 DCAAMN O=C(c1cc(-c2ccc(O)cc2)[nH]n1)N1CCC[C@@](O)(CO)C1 ZINC000072165515 191065250 /nfs/dbraw/zinc/06/52/50/191065250.db2.gz PDYOIIQAPWMBPI-INIZCTEOSA-N 0 1 317.345 0.742 50 0 DCAAMN O=C(C[C@H]1COCCN1)NCc1ccc(N2CCCC2=O)cc1 ZINC000072172948 191069780 /nfs/dbraw/zinc/06/97/80/191069780.db2.gz ADHGQNJYWGEYRZ-AWEZNQCLSA-N 0 1 317.389 0.808 50 0 DCAAMN C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCN1C)Oc1ccccc1 ZINC000073060656 191275311 /nfs/dbraw/zinc/27/53/11/191275311.db2.gz VGJGUROWVVBEIT-LSDHHAIUSA-N 0 1 320.437 0.999 50 0 DCAAMN O=C(CSc1nc2n[nH]cc2c(=O)[nH]1)NC[C@H]1CCCO1 ZINC000004249672 181087770 /nfs/dbraw/zinc/08/77/70/181087770.db2.gz JSUSWHCNPHNTQC-SSDOTTSWSA-N 0 1 309.351 0.446 50 0 DCAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N1CCOCC1 ZINC000005731792 181278530 /nfs/dbraw/zinc/27/85/30/181278530.db2.gz GDMWCXZSBWOIHY-UHFFFAOYSA-N 0 1 305.363 0.818 50 0 DCAAMN COCC[C@@]1(CO)CCCN(Cc2cc(=O)c(OC)c[nH]2)C1 ZINC000091382120 193048674 /nfs/dbraw/zinc/04/86/74/193048674.db2.gz 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/nfs/dbraw/zinc/10/14/65/182101465.db2.gz SMDNRKXPRLYYEM-ZDUSSCGKSA-N 0 1 307.394 0.468 50 0 DCAAMN O=C([O-])c1cn2nc(NCCC[NH+]3CCOCC3)ccc2n1 ZINC000019872817 182159275 /nfs/dbraw/zinc/15/92/75/182159275.db2.gz BXMSPGHDKLEIII-UHFFFAOYSA-N 0 1 305.338 0.562 50 0 DCAAMN CCOC(=O)N1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000021866807 182294703 /nfs/dbraw/zinc/29/47/03/182294703.db2.gz YXTSZUYWVNTQNL-UHFFFAOYSA-N 0 1 303.322 0.872 50 0 DCAAMN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000065495730 184354900 /nfs/dbraw/zinc/35/49/00/184354900.db2.gz LUHZDAFXKVCLQY-VIFPVBQESA-N 0 1 300.428 0.798 50 0 DCAAMN COc1ccnc(N2CCC(C(=O)N3CCNC[C@H]3C)CC2)n1 ZINC000124734850 195673336 /nfs/dbraw/zinc/67/33/36/195673336.db2.gz ZYCXYJXGBLGHIN-GFCCVEGCSA-N 0 1 319.409 0.522 50 0 DCAAMN COc1ccc(OC)c(NC(=O)CC2C(=O)Nc3ncnn32)c1 ZINC000013693207 395688856 /nfs/dbraw/zinc/68/88/56/395688856.db2.gz QLDROEAPKXTEQS-SNVBAGLBSA-N 0 1 317.305 0.817 50 0 DCAAMN NC(=O)NC(=O)CC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000014242134 395689535 /nfs/dbraw/zinc/68/95/35/395689535.db2.gz FLLWVGFHDUADHD-UHFFFAOYSA-N 0 1 319.361 0.872 50 0 DCAAMN CCOC(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C1=O ZINC000000163635 395679969 /nfs/dbraw/zinc/67/99/69/395679969.db2.gz KVDMYXVTDGUXKS-GFCCVEGCSA-N 0 1 311.359 0.928 50 0 DCAAMN CNC(=O)NC(=O)CN1CCCN(Cc2cccs2)CC1 ZINC000030210629 395702022 /nfs/dbraw/zinc/70/20/22/395702022.db2.gz SPPPMNBJQWXKHV-UHFFFAOYSA-N 0 1 310.423 0.711 50 0 DCAAMN O=C(N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc2c1=O ZINC000032977430 395715174 /nfs/dbraw/zinc/71/51/74/395715174.db2.gz KTGUQIPJSTUZDS-VIFPVBQESA-N 0 1 306.343 0.445 50 0 DCAAMN CS(=O)(=O)CC[C@@H](N)C(=O)Nc1cnc2ccccc2c1 ZINC000037020281 395725711 /nfs/dbraw/zinc/72/57/11/395725711.db2.gz TXYAXMKAQVCMKY-GFCCVEGCSA-N 0 1 307.375 0.935 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)n3cccn3)CCO2)n[nH]1 ZINC000095402169 395740314 /nfs/dbraw/zinc/74/03/14/395740314.db2.gz GHAGGBGHASTIDS-GHMZBOCLSA-N 0 1 304.354 0.725 50 0 DCAAMN O=C(CN1CCC[C@@H]1CO)N[C@H]1CCN(c2ccccn2)C1 ZINC000096494431 395754187 /nfs/dbraw/zinc/75/41/87/395754187.db2.gz CHBMRFXNZJXXBH-UONOGXRCSA-N 0 1 304.394 0.233 50 0 DCAAMN C[C@@H](CN(C)S(=O)(=O)Cc1ccc(F)cc1)c1nn[nH]n1 ZINC000097097275 395755202 /nfs/dbraw/zinc/75/52/02/395755202.db2.gz MDYGMSULNAPEMY-VIFPVBQESA-N 0 1 313.358 0.904 50 0 DCAAMN C[C@@H](C(=O)N1CCOCC1)N1CCC(c2cnn(C)c2)CC1 ZINC000097202682 395755945 /nfs/dbraw/zinc/75/59/45/395755945.db2.gz KUVFOIFHQDGSIJ-ZDUSSCGKSA-N 0 1 306.410 0.847 50 0 DCAAMN Cc1cnn(C[C@@H]2CCCN2[C@H](C)C(=O)N2CCOCC2)c1 ZINC000106868921 395783840 /nfs/dbraw/zinc/78/38/40/395783840.db2.gz ZSLQSKYYBBSIEQ-CABCVRRESA-N 0 1 306.410 0.903 50 0 DCAAMN O=C([O-])c1cccc(OCCNC(=O)C[N@H+]2CCC[C@H](O)C2)c1 ZINC000218889068 395843986 /nfs/dbraw/zinc/84/39/86/395843986.db2.gz BSNBXAYTDFBSLX-ZDUSSCGKSA-N 0 1 322.361 0.337 50 0 DCAAMN O=C([O-])c1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000218889068 395843989 /nfs/dbraw/zinc/84/39/89/395843989.db2.gz BSNBXAYTDFBSLX-ZDUSSCGKSA-N 0 1 322.361 0.337 50 0 DCAAMN O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1ncn[nH]1 ZINC000218850354 395843996 /nfs/dbraw/zinc/84/39/96/395843996.db2.gz IOSIOYBADJWIDF-ORHYLEIMSA-N 0 1 314.345 0.982 50 0 DCAAMN O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1nc[nH]n1 ZINC000218850354 395843998 /nfs/dbraw/zinc/84/39/98/395843998.db2.gz IOSIOYBADJWIDF-ORHYLEIMSA-N 0 1 314.345 0.982 50 0 DCAAMN C[C@H]1CNCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000126232166 395911125 /nfs/dbraw/zinc/91/11/25/395911125.db2.gz UCEBXHKXPDVWKJ-JTQLQIEISA-N 0 1 316.810 0.934 50 0 DCAAMN CCNC(=O)[C@@H]1CCN(C(=O)CSc2n[nH]c(CC)n2)C1 ZINC000055108558 395911553 /nfs/dbraw/zinc/91/15/53/395911553.db2.gz JQJDCORUASVMIB-SECBINFHSA-N 0 1 311.411 0.444 50 0 DCAAMN CCNC(=O)[C@@H]1CCN(C(=O)CSc2nc(CC)n[nH]2)C1 ZINC000055108558 395911554 /nfs/dbraw/zinc/91/15/54/395911554.db2.gz JQJDCORUASVMIB-SECBINFHSA-N 0 1 311.411 0.444 50 0 DCAAMN O=C(Cn1cccn1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO ZINC000257186240 396034469 /nfs/dbraw/zinc/03/44/69/396034469.db2.gz KFNRTOVXWMDHEF-JKSUJKDBSA-N 0 1 314.389 0.492 50 0 DCAAMN CC(C)(C)[C@H](O)CN1CCN(C(=O)CN2CCCC2=O)CC1 ZINC000069771702 396089551 /nfs/dbraw/zinc/08/95/51/396089551.db2.gz WUOZWGXWRKWDNX-CYBMUJFWSA-N 0 1 311.426 0.160 50 0 DCAAMN CN(CCNC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1 ZINC000069872254 396092967 /nfs/dbraw/zinc/09/29/67/396092967.db2.gz AICHGWFEKHRMFC-UHFFFAOYSA-N 0 1 318.421 0.436 50 0 DCAAMN Cc1noc([C@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000071817161 396116184 /nfs/dbraw/zinc/11/61/84/396116184.db2.gz FJBVXPVBLDQKBG-NSHDSACASA-N 0 1 319.365 0.155 50 0 DCAAMN Cc1noc(CCCC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)n1 ZINC000076045563 396193029 /nfs/dbraw/zinc/19/30/29/396193029.db2.gz WLLWAPPCCJYBRK-NSHDSACASA-N 0 1 320.353 0.727 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)CCO2)n[nH]1 ZINC000076044897 396193235 /nfs/dbraw/zinc/19/32/35/396193235.db2.gz UCKXYCSWHCZXBD-LBPRGKRZSA-N 0 1 302.338 0.927 50 0 DCAAMN CCCc1nc([C@H]2CN(CCN3CCCC3=O)CCO2)n[nH]1 ZINC000076049410 396193677 /nfs/dbraw/zinc/19/36/77/396193677.db2.gz PGPKASNHJXNUSJ-GFCCVEGCSA-N 0 1 307.398 0.753 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(CCN3CCCC3=O)CCO2)n1 ZINC000076049410 396193679 /nfs/dbraw/zinc/19/36/79/396193679.db2.gz PGPKASNHJXNUSJ-GFCCVEGCSA-N 0 1 307.398 0.753 50 0 DCAAMN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nn[nH]n1 ZINC000183441324 396269985 /nfs/dbraw/zinc/26/99/85/396269985.db2.gz AVIZVCPGVVQAAS-MNOVXSKESA-N 0 1 320.397 0.553 50 0 DCAAMN CCN1CCN(C(=O)Cn2c(C)cc(C)nc2=O)CC1(C)C ZINC000584885529 396632610 /nfs/dbraw/zinc/63/26/10/396632610.db2.gz QUDCIZYHSQNRTG-UHFFFAOYSA-N 0 1 306.410 0.803 50 0 DCAAMN CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000584891448 396634310 /nfs/dbraw/zinc/63/43/10/396634310.db2.gz BGCANQDHZSPYSM-GJZGRUSLSA-N 0 1 315.377 0.921 50 0 DCAAMN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000255847479 287127056 /nfs/dbraw/zinc/12/70/56/287127056.db2.gz PIBDXYHHFGSPKM-SKXBYLJPSA-N 0 1 302.378 0.663 50 0 DCAAMN Cn1c(=O)[nH]c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000020412353 415155164 /nfs/dbraw/zinc/15/51/64/415155164.db2.gz WXNNBDUPPXJWHN-CYBMUJFWSA-N 0 1 312.329 0.496 50 0 biogenic DCAAMN C[C@@H]1C[C@H](C)CN(CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937494 415235173 /nfs/dbraw/zinc/23/51/73/415235173.db2.gz CVRZDUOSQVUEBU-TXEJJXNPSA-N 0 1 300.428 0.676 50 0 DCAAMN CC(C)c1noc(CCCC(=O)NCCN2CCN(C)CC2)n1 ZINC000046744495 415259796 /nfs/dbraw/zinc/25/97/96/415259796.db2.gz DXCDAFSIMMTNAH-UHFFFAOYSA-N 0 1 323.441 0.879 50 0 DCAAMN CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(=O)[O-])C1 ZINC000067695651 415385364 /nfs/dbraw/zinc/38/53/64/415385364.db2.gz LRMMFVMUOXKRNI-SECBINFHSA-N 0 1 320.353 0.392 50 0 DCAAMN CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(=O)[O-])C1 ZINC000067695651 415385372 /nfs/dbraw/zinc/38/53/72/415385372.db2.gz LRMMFVMUOXKRNI-SECBINFHSA-N 0 1 320.353 0.392 50 0 DCAAMN C[C@H](O)CN1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000075132670 415439228 /nfs/dbraw/zinc/43/92/28/415439228.db2.gz RIWIPHOBLFLESQ-XHDPSFHLSA-N 0 1 300.349 0.997 50 0 DCAAMN COc1ccc2nc(CNC(=O)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000299773351 416065600 /nfs/dbraw/zinc/06/56/00/416065600.db2.gz FIUFABIQQFGJCK-VIFPVBQESA-N 0 1 323.374 0.622 50 0 DCAAMN COc1ccc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cn1 ZINC000215484060 416327205 /nfs/dbraw/zinc/32/72/05/416327205.db2.gz XZRBNQZOQIOTNS-GJZGRUSLSA-N 0 1 307.394 0.358 50 0 DCAAMN COc1ccc(CN2CCCN([C@H]3COC[C@@H]3O)CC2)cn1 ZINC000215484060 416327206 /nfs/dbraw/zinc/32/72/06/416327206.db2.gz XZRBNQZOQIOTNS-GJZGRUSLSA-N 0 1 307.394 0.358 50 0 DCAAMN O=C(N[C@H]1C[C@H](c2cc(N3CCCC3)ncn2)C1)c1cnn[nH]1 ZINC000244626821 416330444 /nfs/dbraw/zinc/33/04/44/416330444.db2.gz FTJBSDPOKNMEBB-XYPYZODXSA-N 0 1 313.365 0.871 50 0 DCAAMN Nc1n[nH]c(CCNC(=O)CCc2nc3ccc(F)cc3[nH]2)n1 ZINC000534643495 416506945 /nfs/dbraw/zinc/50/69/45/416506945.db2.gz HFWVINXRQXSIKD-UHFFFAOYSA-N 0 1 317.328 0.694 50 0 DCAAMN CCN1CCC[C@@H]1CNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000249116715 276373720 /nfs/dbraw/zinc/37/37/20/276373720.db2.gz SBNHFUFYZHDHQL-RWMBFGLXSA-N 0 1 305.444 0.414 50 0 DCAAMN NC(=O)C1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000051186153 295036180 /nfs/dbraw/zinc/03/61/80/295036180.db2.gz LSHFXNLYGJTDIL-UONOGXRCSA-N 0 1 309.410 0.354 50 0 DCAAMN Cc1nnc(SCCNC(=O)CCC2=NNC(=O)CC2)[nH]1 ZINC000215717580 545937234 /nfs/dbraw/zinc/93/72/34/545937234.db2.gz MCVQVBPJWVFLQU-UHFFFAOYSA-N 0 1 310.383 0.368 50 0 DCAAMN Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@]1(C)CC[N@@H+](C)C1 ZINC000670466112 547099308 /nfs/dbraw/zinc/09/93/08/547099308.db2.gz YCMVMVZCVYAXII-CYBMUJFWSA-N 0 1 300.428 0.989 50 0 DCAAMN Cc1ccc2nc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)[nH]c2c1C ZINC000670473498 547101642 /nfs/dbraw/zinc/10/16/42/547101642.db2.gz QBQKYGYQHPAVIX-LBPRGKRZSA-N 0 1 317.393 0.967 50 0 DCAAMN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ncn[nH]1 ZINC000220095365 568416387 /nfs/dbraw/zinc/41/63/87/568416387.db2.gz WOEORIHEAKMLMP-VXGBXAGGSA-N 0 1 303.322 0.304 50 0 DCAAMN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1nc[nH]n1 ZINC000220095365 568416388 /nfs/dbraw/zinc/41/63/88/568416388.db2.gz WOEORIHEAKMLMP-VXGBXAGGSA-N 0 1 303.322 0.304 50 0 DCAAMN Cc1cccn(CC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c1=O ZINC000186886571 666606949 /nfs/dbraw/zinc/60/69/49/666606949.db2.gz MTAURHUVVBDPQM-CQSZACIVSA-N 0 1 321.421 0.460 50 0 DCAAMN CCCNC(=O)[C@@H]1CCCN(CC(=O)NC2CCOCC2)C1 ZINC000102768384 669277325 /nfs/dbraw/zinc/27/73/25/669277325.db2.gz ZSXCHRFLCYBBAP-CYBMUJFWSA-N 0 1 311.426 0.520 50 0 DCAAMN C[C@@H](Cc1ccsc1)NC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000952966492 685598725 /nfs/dbraw/zinc/59/87/25/685598725.db2.gz KAUMLQQYSZSSOA-AAEUAGOBSA-N 0 1 309.435 0.993 50 0 DCAAMN O=C(CN1CCC(CNC(=O)[C@@H]2CCOC2)CC1)NC1CC1 ZINC000952981327 685601162 /nfs/dbraw/zinc/60/11/62/685601162.db2.gz VCSJUTQICVDUFA-CYBMUJFWSA-N 0 1 309.410 0.130 50 0 DCAAMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC([C@H](O)CO)CC1 ZINC001772703717 1157841762 /nfs/dbraw/zinc/84/17/62/1157841762.db2.gz ZCRAGPGNGXUVLL-CQSZACIVSA-N 0 1 316.361 0.677 50 0 DCAAMN Cc1cc(C(=O)N2CCCN(C[C@H](O)CO)CC2)ccc1F ZINC001772711599 1157849356 /nfs/dbraw/zinc/84/93/56/1157849356.db2.gz FFWAWYCGPPLTOB-AWEZNQCLSA-N 0 1 310.369 0.635 50 0 DCAAMN CCn1ccc(CN2C[C@H]3COC[C@@H]2C[N@@H+](CC(=O)[O-])C3)n1 ZINC001704340221 1179979223 /nfs/dbraw/zinc/97/92/23/1179979223.db2.gz QGXWDUXXQDIUAK-JSGCOSHPSA-N 0 1 308.382 0.120 50 0 DCAAMN Cn1nc(NS(C)(=O)=O)c2c1CCN(C(=O)C1CCC1)C2 ZINC000675021948 748028198 /nfs/dbraw/zinc/02/81/98/748028198.db2.gz UPCLLXKPTLKVNE-UHFFFAOYSA-N 0 1 312.395 0.476 50 0 DCAAMN CCCn1cnnc1CNC(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000823031350 758219140 /nfs/dbraw/zinc/21/91/40/758219140.db2.gz WDVBTHDMXAJAQG-ZDUSSCGKSA-N 0 1 309.414 0.804 50 0 DCAAMN CCCn1cnnc1CNC(=O)C[C@H]1CN(C(C)C)CCO1 ZINC000823031350 758219150 /nfs/dbraw/zinc/21/91/50/758219150.db2.gz WDVBTHDMXAJAQG-ZDUSSCGKSA-N 0 1 309.414 0.804 50 0 DCAAMN CCS(=O)(=O)NC[C@@H](C)N1CCC2(CCC(=O)N2)CC1 ZINC000823412675 758246321 /nfs/dbraw/zinc/24/63/21/758246321.db2.gz CRUXUCCZEDVFKE-LLVKDONJSA-N 0 1 303.428 0.059 50 0 DCAAMN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCN[C@@H](CCO)C1 ZINC000952884295 768952201 /nfs/dbraw/zinc/95/22/01/768952201.db2.gz ZHIFJNWABZJJGJ-MELADBBJSA-N 0 1 300.399 0.143 50 0 DCAAMN Cc1cc(C[C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]2O)n[nH]1 ZINC001529158609 1014508356 /nfs/dbraw/zinc/50/83/56/1014508356.db2.gz GFNLOJQJMOHOLR-UKRRQHHQSA-N 0 1 316.409 0.610 50 0 DCAAMN Cc1cc(C[C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]2O)[nH]n1 ZINC001529158609 1014508362 /nfs/dbraw/zinc/50/83/62/1014508362.db2.gz GFNLOJQJMOHOLR-UKRRQHHQSA-N 0 1 316.409 0.610 50 0 DCAAMN Cc1nc([C@H]2CN(CC(=O)NCc3cccnc3)CCO2)n[nH]1 ZINC000078892505 185123763 /nfs/dbraw/zinc/12/37/63/185123763.db2.gz LBCMQKUJFSGKIV-CYBMUJFWSA-N 0 1 316.365 0.198 50 0 DCAAMN CC[C@H]1CN(C(CO)CO)CCC(=O)N1Cc1ccccc1 ZINC000071746616 191019425 /nfs/dbraw/zinc/01/94/25/191019425.db2.gz WZXLIPXSUCLMLX-HNNXBMFYSA-N 0 1 306.406 0.853 50 0 DCAAMN O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@@](O)(CO)C1 ZINC000072143889 191051735 /nfs/dbraw/zinc/05/17/35/191051735.db2.gz QYCLKVJKSUXDMM-INIZCTEOSA-N 0 1 307.394 0.567 50 0 DCAAMN Cc1c(C(=O)N2CC(c3ccccn3)C2)cnc2cc(=O)[nH]n21 ZINC000072152268 191057546 /nfs/dbraw/zinc/05/75/46/191057546.db2.gz QOXVVKYDGYNXRM-UHFFFAOYSA-N 0 1 309.329 0.966 50 0 DCAAMN Cn1ccnc1CN1CCN(Cc2cc3n(n2)CCNC3)CC1 ZINC000072159138 191062417 /nfs/dbraw/zinc/06/24/17/191062417.db2.gz KMEIPCSKACOSJJ-UHFFFAOYSA-N 0 1 315.425 0.038 50 0 DCAAMN Cc1ccn2c(=O)cc(CN3CC[C@H](CO)[C@@H](O)C3)nc2c1 ZINC000072169240 191068327 /nfs/dbraw/zinc/06/83/27/191068327.db2.gz XNSCDLRBDOSQDF-OCCSQVGLSA-N 0 1 303.362 0.178 50 0 DCAAMN O=C(NCc1n[nH]c(=O)c2ccccc12)[C@@H]1NCCc2[nH]cnc21 ZINC000072409729 191154427 /nfs/dbraw/zinc/15/44/27/191154427.db2.gz ZYWZIEITTPYIPS-CQSZACIVSA-N 0 1 324.344 0.149 50 0 DCAAMN CCC(=O)Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1 ZINC000072438161 191165807 /nfs/dbraw/zinc/16/58/07/191165807.db2.gz HTMGUHNKLGMNLQ-SSDOTTSWSA-N 0 1 320.396 0.344 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)o1 ZINC000076050719 191561549 /nfs/dbraw/zinc/56/15/49/191561549.db2.gz QCIIPCSPMUPLRS-VHSXEESVSA-N 0 1 315.395 0.210 50 0 DCAAMN COc1ccccc1OC1CN(C(=O)C[C@H]2COCCN2)C1 ZINC000091873334 193120984 /nfs/dbraw/zinc/12/09/84/193120984.db2.gz SZYMCKKDDSPLSI-LBPRGKRZSA-N 0 1 306.362 0.663 50 0 DCAAMN CC[NH+]1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1 ZINC000095194676 193424455 /nfs/dbraw/zinc/42/44/55/193424455.db2.gz WNHRICUVGBEETI-UHFFFAOYSA-N 0 1 305.378 0.742 50 0 DCAAMN CCCCN1C(=O)NC(=O)C(=C(C)NC[C@H]2CCCO2)C1=O ZINC000020333062 182208927 /nfs/dbraw/zinc/20/89/27/182208927.db2.gz DYPMZRYQWSEXKI-KPMWUXBGSA-N 0 1 309.366 0.908 50 0 DCAAMN COc1cccc(OCCOC[C@H](O)CN2CCN(C)CC2)c1 ZINC000022466227 182323075 /nfs/dbraw/zinc/32/30/75/182323075.db2.gz VHZGCYXOTSJNQD-OAHLLOKOSA-N 0 1 324.421 0.699 50 0 DCAAMN CN1CCN([C@H](CNS(C)(=O)=O)c2ccc(F)cc2)CC1 ZINC000022783073 182334161 /nfs/dbraw/zinc/33/41/61/182334161.db2.gz AMYSEPLEGMNFQY-CQSZACIVSA-N 0 1 315.414 0.663 50 0 DCAAMN Cc1ccc(COC[C@H](O)CN2CCN(CCO)CC2)cc1 ZINC000023114602 182348818 /nfs/dbraw/zinc/34/88/18/182348818.db2.gz USDSKQBCDYCXJP-QGZVFWFLSA-N 0 1 308.422 0.482 50 0 DCAAMN COc1cc(CN2CCN(C)[C@H](CCO)C2)cc2c1OCO2 ZINC000104473500 194010245 /nfs/dbraw/zinc/01/02/45/194010245.db2.gz GHBGZRJWJLFJQL-CYBMUJFWSA-N 0 1 308.378 0.922 50 0 DCAAMN O=C(NCCN1CCCS1(=O)=O)c1n[nH]c2ccccc21 ZINC000061598929 184176634 /nfs/dbraw/zinc/17/66/34/184176634.db2.gz MRPFGHGOPZLKPJ-UHFFFAOYSA-N 0 1 308.363 0.328 50 0 DCAAMN CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426722353 257243676 /nfs/dbraw/zinc/24/36/76/257243676.db2.gz CVQUSMCIOMAGTM-CYBMUJFWSA-N 0 1 315.377 0.568 50 0 DCAAMN CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426722354 257243887 /nfs/dbraw/zinc/24/38/87/257243887.db2.gz CVQUSMCIOMAGTM-ZDUSSCGKSA-N 0 1 315.377 0.568 50 0 DCAAMN Cc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1C(N)=O ZINC000257365402 257257018 /nfs/dbraw/zinc/25/70/18/257257018.db2.gz AZUKEQATOMKEIY-LBPRGKRZSA-N 0 1 323.418 0.563 50 0 DCAAMN COc1ccc(OC)c([C@H](O)CN2CCN(C[C@@H](C)O)CC2)c1 ZINC000071877155 184882587 /nfs/dbraw/zinc/88/25/87/184882587.db2.gz ZYSORTXSVMNVFV-CZUORRHYSA-N 0 1 324.421 0.736 50 0 DCAAMN c1ncn(CCN2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC000089835005 395715951 /nfs/dbraw/zinc/71/59/51/395715951.db2.gz UWYDCLQLZWCBLW-DLBZAZTESA-N 0 1 313.405 0.863 50 0 DCAAMN OCCN1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000033526511 395717227 /nfs/dbraw/zinc/71/72/27/395717227.db2.gz PVCYEHFLYKIVMI-HNNXBMFYSA-N 0 1 312.385 0.313 50 0 DCAAMN CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC1CCCCC1 ZINC000029455059 395698076 /nfs/dbraw/zinc/69/80/76/395698076.db2.gz RHLRBHHHQAFIRG-UHFFFAOYSA-N 0 1 322.409 0.361 50 0 DCAAMN NC(=O)CCN1CCN(c2ccc(Br)cn2)CC1 ZINC000040513780 395734107 /nfs/dbraw/zinc/73/41/07/395734107.db2.gz YCIKKEFICRCDOB-UHFFFAOYSA-N 0 1 313.199 0.842 50 0 DCAAMN Cc1nc2ccc(CC(=O)N3CC[C@@](C)(O)[C@@H](O)C3)cc2[nH]1 ZINC000097717225 395760338 /nfs/dbraw/zinc/76/03/38/395760338.db2.gz USLLYFHFWGNLFO-GOEBONIOSA-N 0 1 303.362 0.758 50 0 DCAAMN Cc1nc(S(=O)(=O)N[C@H](CC(C)C)CN(C)C)cn1C ZINC000195574157 395832363 /nfs/dbraw/zinc/83/23/63/395832363.db2.gz ZTJJNLHMDUHUIO-GFCCVEGCSA-N 0 1 302.444 0.983 50 0 DCAAMN Nc1cc(N2CC[N@@H+](CC3CCC3)C[C@@H](C(=O)[O-])C2)ncn1 ZINC000217930161 395840846 /nfs/dbraw/zinc/84/08/46/395840846.db2.gz PQMRMTBYPWURHM-GFCCVEGCSA-N 0 1 305.382 0.682 50 0 DCAAMN CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc2nccn2c1 ZINC000219318486 395845693 /nfs/dbraw/zinc/84/56/93/395845693.db2.gz OXJWJQQIIYVCDB-FAAHXZRKSA-N 0 1 300.362 0.782 50 0 DCAAMN C[C@@H]1CN(CCCNC(=O)c2cn3cccnc3n2)C[C@H](C)O1 ZINC000051353150 395849922 /nfs/dbraw/zinc/84/99/22/395849922.db2.gz HHEDQUASBHCXBB-BETUJISGSA-N 0 1 317.393 0.958 50 0 DCAAMN Cn1ccc(CN2CCCC[C@H]2CNS(C)(=O)=O)cc1=O ZINC000051734931 395854174 /nfs/dbraw/zinc/85/41/74/395854174.db2.gz RPOAGNZAPDOSQR-ZDUSSCGKSA-N 0 1 313.423 0.289 50 0 DCAAMN Cc1cc([C@@H]2CCC[N@@H+](C[C@@H](O)CN3CCCC3=O)C2)[nH]n1 ZINC000229923889 395876766 /nfs/dbraw/zinc/87/67/66/395876766.db2.gz HNNWLJWUGUWMPC-ZIAGYGMSSA-N 0 1 306.410 0.881 50 0 DCAAMN Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)CN3CCCC3=O)C2)n[nH]1 ZINC000229923889 395876770 /nfs/dbraw/zinc/87/67/70/395876770.db2.gz HNNWLJWUGUWMPC-ZIAGYGMSSA-N 0 1 306.410 0.881 50 0 DCAAMN O=C(Cc1cnc[nH]1)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000252536492 396022420 /nfs/dbraw/zinc/02/24/20/396022420.db2.gz IRYHMLYZLVHDEA-CFVMTHIKSA-N 0 1 300.362 0.846 50 0 DCAAMN CCOC(=O)c1cc(CN2CCN(CCO)[C@H](C)C2)[nH]c1C ZINC000253431876 396028535 /nfs/dbraw/zinc/02/85/35/396028535.db2.gz UZXLGXVUBRIDAV-GFCCVEGCSA-N 0 1 309.410 0.998 50 0 DCAAMN C[N@H+]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000067805869 396033984 /nfs/dbraw/zinc/03/39/84/396033984.db2.gz YAHTYDSGLXZUQG-NSHDSACASA-N 0 1 312.753 0.815 50 0 DCAAMN CN(CCNC(=O)c1cccc(-c2nnc[nH]2)c1)S(C)(=O)=O ZINC000067840279 396035354 /nfs/dbraw/zinc/03/53/54/396035354.db2.gz QPTQEWWRWCQWEH-UHFFFAOYSA-N 0 1 323.378 0.093 50 0 DCAAMN CCn1c(=O)[nH]nc1[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000067909355 396038656 /nfs/dbraw/zinc/03/86/56/396038656.db2.gz KGLVCHGQNZDFGF-SECBINFHSA-N 0 1 314.353 0.642 50 0 DCAAMN COCCNC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000069719811 396088559 /nfs/dbraw/zinc/08/85/59/396088559.db2.gz DEDZZBJGSKGAGP-INIZCTEOSA-N 0 1 320.437 0.921 50 0 DCAAMN CNC(=O)C1(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)CC1 ZINC000069771608 396089765 /nfs/dbraw/zinc/08/97/65/396089765.db2.gz RLVOXBDHMGWVET-LBPRGKRZSA-N 0 1 311.426 0.064 50 0 DCAAMN CC(C)N1CCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000071800819 396115258 /nfs/dbraw/zinc/11/52/58/396115258.db2.gz WGHJDQZHRYHTKK-UHFFFAOYSA-N 0 1 314.389 0.949 50 0 DCAAMN O=C(c1cccnc1-n1cncn1)N1CCN2CCCC[C@H]2C1 ZINC000071839837 396118526 /nfs/dbraw/zinc/11/85/26/396118526.db2.gz OACCJNZAIASKAP-ZDUSSCGKSA-N 0 1 312.377 0.973 50 0 DCAAMN Cc1cnn(C[C@H]2CCCN2[C@@H](C)C(=O)N2CCOCC2)c1 ZINC000071875781 396121460 /nfs/dbraw/zinc/12/14/60/396121460.db2.gz ZSLQSKYYBBSIEQ-LSDHHAIUSA-N 0 1 306.410 0.903 50 0 DCAAMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nn1cnc2ccccc21 ZINC000071882586 396123821 /nfs/dbraw/zinc/12/38/21/396123821.db2.gz GUDSQVQVRYVEJD-ZDUSSCGKSA-N 0 1 316.409 0.925 50 0 DCAAMN C[C@H](CNc1cncc(-n2cccn2)n1)N1CCN(C)CC1 ZINC000071899576 396124330 /nfs/dbraw/zinc/12/43/30/396124330.db2.gz YYXCXCHTDSZKKR-CYBMUJFWSA-N 0 1 301.398 0.710 50 0 DCAAMN C[C@@]1([C@H]2CCCN(CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300682 396130619 /nfs/dbraw/zinc/13/06/19/396130619.db2.gz MOFZTVBUWLTVPQ-LRDDRELGSA-N 0 1 322.409 0.213 50 0 DCAAMN CN(C)S(=O)(=O)NCc1ccccc1N1CCN(C)CC1 ZINC000069631221 396085622 /nfs/dbraw/zinc/08/56/22/396085622.db2.gz GKJSCDGZZOXBSN-UHFFFAOYSA-N 0 1 312.439 0.334 50 0 DCAAMN C[C@H](C(=O)N1CCOCC1)N1CCC(N2CCN(C)C2=O)CC1 ZINC000075603991 396182757 /nfs/dbraw/zinc/18/27/57/396182757.db2.gz RXWYFRSUCYJHQD-CYBMUJFWSA-N 0 1 324.425 0.066 50 0 DCAAMN Cc1cc(C)n(CCC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)n1 ZINC000076045473 396192582 /nfs/dbraw/zinc/19/25/82/396192582.db2.gz YGYOTZFHBJQCCS-CYBMUJFWSA-N 0 1 318.381 0.917 50 0 DCAAMN Cc1nc([C@H]2CN([C@@H](C)C(=O)Nc3nccs3)CCO2)n[nH]1 ZINC000076042583 396192615 /nfs/dbraw/zinc/19/26/15/396192615.db2.gz HUNMWYSYMHERBG-WCBMZHEXSA-N 0 1 322.394 0.970 50 0 DCAAMN CCCc1nc([C@H]2CN(C(=O)CCn3cncn3)CCO2)n[nH]1 ZINC000076046026 396192778 /nfs/dbraw/zinc/19/27/78/396192778.db2.gz UWARAWFCVQRNSS-LLVKDONJSA-N 0 1 319.369 0.339 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(C(=O)CCn3cncn3)CCO2)n1 ZINC000076046026 396192780 /nfs/dbraw/zinc/19/27/80/396192780.db2.gz UWARAWFCVQRNSS-LLVKDONJSA-N 0 1 319.369 0.339 50 0 DCAAMN O=C(CCN1CCCC1=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000078789258 396254270 /nfs/dbraw/zinc/25/42/70/396254270.db2.gz WEFYPMTXTBGCNQ-KBPBESRZSA-N 0 1 309.410 0.057 50 0 DCAAMN CC(C)OC[C@H](O)CN1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000078803019 396254820 /nfs/dbraw/zinc/25/48/20/396254820.db2.gz 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396221873 /nfs/dbraw/zinc/22/18/73/396221873.db2.gz MRVHTZAPQOLISL-NSHDSACASA-N 0 1 316.361 0.172 50 0 DCAAMN Cn1cc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cn1 ZINC000077672104 396228540 /nfs/dbraw/zinc/22/85/40/396228540.db2.gz NWLDEXCIRCJXKG-ZDUSSCGKSA-N 0 1 307.398 0.996 50 0 DCAAMN C[C@@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCN1 ZINC000188465555 396382474 /nfs/dbraw/zinc/38/24/74/396382474.db2.gz ALGWIMZPEISZHY-LLVKDONJSA-N 0 1 308.382 0.061 50 0 DCAAMN CC(=O)N[C@@H]1CCN(C(=O)NCc2ccc3nc[nH]c3c2)C1 ZINC000584891381 396634050 /nfs/dbraw/zinc/63/40/50/396634050.db2.gz HDIWFZBYPUKEIB-GFCCVEGCSA-N 0 1 301.350 0.983 50 0 DCAAMN Cn1cnnc1CCC(=O)N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000584891252 396634148 /nfs/dbraw/zinc/63/41/48/396634148.db2.gz BHPUGINBFBWMGJ-CQSZACIVSA-N 0 1 321.425 0.053 50 0 DCAAMN C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)C[C@@H](C)N1 ZINC000255570086 287125544 /nfs/dbraw/zinc/12/55/44/287125544.db2.gz ZUSBNOLOJANKGA-UYMHTNOESA-N 0 1 317.389 0.773 50 0 DCAAMN 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ZINC000426596446 257245760 /nfs/dbraw/zinc/24/57/60/257245760.db2.gz GYRCNRBRIZKWHL-UHFFFAOYSA-N 0 1 301.354 0.540 50 0 DCAAMN COc1cccc(-n2c(CN)nnc2SC[C@H](O)CO)c1 ZINC000426563541 257246417 /nfs/dbraw/zinc/24/64/17/257246417.db2.gz ZHKPIRVMLPBRSN-SNVBAGLBSA-N 0 1 310.379 0.180 50 0 DCAAMN CC(C)n1cnnc1CN(C)C(=O)NCCSc1cn[nH]n1 ZINC000426535891 257246877 /nfs/dbraw/zinc/24/68/77/257246877.db2.gz OGSBZONWRDQRLV-UHFFFAOYSA-N 0 1 324.414 0.911 50 0 DCAAMN O=C(NCCc1nc2ccc(Cl)cc2[nH]1)NC[C@@H](O)CO ZINC000426544600 257246940 /nfs/dbraw/zinc/24/69/40/257246940.db2.gz ALBCUNYIJCXNEW-SECBINFHSA-N 0 1 312.757 0.411 50 0 DCAAMN Cc1nc2c([nH]1)CN(C(=O)NCC(C)(C)N1CCOCC1)CC2 ZINC000426503073 257248818 /nfs/dbraw/zinc/24/88/18/257248818.db2.gz RGZYRRIUJQDLJN-UHFFFAOYSA-N 0 1 321.425 0.897 50 0 DCAAMN CC(C)n1nccc1C(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000426420088 257251620 /nfs/dbraw/zinc/25/16/20/257251620.db2.gz XUIQARMOPFFWPF-UHFFFAOYSA-N 0 1 303.370 0.540 50 0 DCAAMN O=C(NCCc1cn[nH]c1)N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000426403433 257251725 /nfs/dbraw/zinc/25/17/25/257251725.db2.gz BYTSQINILBJYLT-HNNXBMFYSA-N 0 1 321.425 0.440 50 0 DCAAMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)COc2cccnc2)C1 ZINC000284692467 131104714 /nfs/dbraw/zinc/10/47/14/131104714.db2.gz XWIZBVFHGGGHRT-OLZOCXBDSA-N 0 1 317.349 0.876 50 0 DCAAMN CC(NCc1ccc2c(c1)OCO2)=C1C(=O)NC(=O)N(C)C1=O ZINC000008554101 395684817 /nfs/dbraw/zinc/68/48/17/395684817.db2.gz DUFWDHWYTSCRGW-WQLSENKSSA-N 0 1 317.301 0.487 50 0 DCAAMN O=C(CNc1nc(Cl)nc2[nH]cnc21)NC[C@H]1CCCO1 ZINC000009481738 395685458 /nfs/dbraw/zinc/68/54/58/395685458.db2.gz QRGQJCYOHPXJDQ-SSDOTTSWSA-N 0 1 310.745 0.713 50 0 DCAAMN Nc1nc(SCCO)[nH]c(=O)c1NC(=O)c1ccccc1 ZINC000005078203 395682673 /nfs/dbraw/zinc/68/26/73/395682673.db2.gz OGKZFPNYLUBAGE-UHFFFAOYSA-N 0 1 306.347 0.689 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n[nH]1 ZINC000089289732 395709414 /nfs/dbraw/zinc/70/94/14/395709414.db2.gz IQOFHJBAEQBRGY-LBPRGKRZSA-N 0 1 318.381 0.944 50 0 DCAAMN CC(C)N1C(=O)N[C@]2(CCN(CCc3cnn(C)c3)C2)C1=O ZINC000084597378 395698494 /nfs/dbraw/zinc/69/84/94/395698494.db2.gz HILOXQOBMBCUBI-HNNXBMFYSA-N 0 1 305.382 0.367 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000037989557 395730260 /nfs/dbraw/zinc/73/02/60/395730260.db2.gz ZQKVWVYHOIWBJU-VIFPVBQESA-N 0 1 318.830 0.836 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000037989557 395730262 /nfs/dbraw/zinc/73/02/62/395730262.db2.gz ZQKVWVYHOIWBJU-VIFPVBQESA-N 0 1 318.830 0.836 50 0 DCAAMN CN(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cscn3)C[C@]2(C(=O)[O-])C1 ZINC000096130891 395745653 /nfs/dbraw/zinc/74/56/53/395745653.db2.gz PENYFDIMJNUGFP-HZMBPMFUSA-N 0 1 324.406 0.643 50 0 DCAAMN CN(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cscn3)C[C@]2(C(=O)[O-])C1 ZINC000096130891 395745655 /nfs/dbraw/zinc/74/56/55/395745655.db2.gz PENYFDIMJNUGFP-HZMBPMFUSA-N 0 1 324.406 0.643 50 0 DCAAMN CN1C(=O)[C@H]2CN(Cc3cnc(N4CCCC4)s3)C[C@H]2C1=O ZINC000097638084 395759788 /nfs/dbraw/zinc/75/97/88/395759788.db2.gz CXJOWDUAJSDLGH-TXEJJXNPSA-N 0 1 320.418 0.790 50 0 DCAAMN Cc1nn(C)c(C)c1CNc1c(=O)c(=O)c1NCCCN(C)C ZINC000101687545 395766501 /nfs/dbraw/zinc/76/65/01/395766501.db2.gz VUVGIZUMFAIABV-UHFFFAOYSA-N 0 1 319.409 0.609 50 0 DCAAMN O=C([C@@H]1CCC(=O)N1)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000223663995 395855703 /nfs/dbraw/zinc/85/57/03/395855703.db2.gz FFNUISYAOKDXTP-INIZCTEOSA-N 0 1 313.401 0.577 50 0 DCAAMN CC(=O)c1c(C)nn(CC(=O)NCCSc2cn[nH]n2)c1C ZINC000223898263 395857437 /nfs/dbraw/zinc/85/74/37/395857437.db2.gz HBCXURDOITXKDR-UHFFFAOYSA-N 0 1 322.394 0.729 50 0 DCAAMN C[C@H]1CNCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000125660461 395905014 /nfs/dbraw/zinc/90/50/14/395905014.db2.gz ZZEWECCMIWLIEN-NTYUQYKDSA-N 0 1 303.362 0.384 50 0 DCAAMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCNC[C@@H]2C)[nH]n1 ZINC000126435038 395913865 /nfs/dbraw/zinc/91/38/65/395913865.db2.gz RTVINOYBOVZDNF-VIFPVBQESA-N 0 1 302.382 0.861 50 0 DCAAMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000229531305 395874515 /nfs/dbraw/zinc/87/45/15/395874515.db2.gz YTSXCCXGXYPPHR-RBSFLKMASA-N 0 1 321.425 0.674 50 0 DCAAMN CC(=O)N1CCCN([C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000229918425 395876488 /nfs/dbraw/zinc/87/64/88/395876488.db2.gz LETWVOXKHYUYSR-DOTOQJQBSA-N 0 1 319.453 0.758 50 0 DCAAMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)NC[C@H]3CCCO3)CCO2)n[nH]1 ZINC000246797915 395957928 /nfs/dbraw/zinc/95/79/28/395957928.db2.gz AWYMUUXWRJTBPJ-UHTWSYAYSA-N 0 1 323.397 0.170 50 0 DCAAMN Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000252671856 396023963 /nfs/dbraw/zinc/02/39/63/396023963.db2.gz OLRZRQYPOUXKPK-CAOSSQGBSA-N 0 1 318.421 0.581 50 0 DCAAMN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2nnc[nH]2)s1 ZINC000253416313 396027692 /nfs/dbraw/zinc/02/76/92/396027692.db2.gz ZQTNYVFBZPAWNV-UHFFFAOYSA-N 0 1 316.364 0.474 50 0 DCAAMN C[C@H](OC[C@@H]1CCCCO1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000069738556 396088722 /nfs/dbraw/zinc/08/87/22/396088722.db2.gz YKRYWBWQKKPVHX-KKUMJFAQSA-N 0 1 313.442 0.323 50 0 DCAAMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCOCC1 ZINC000169787504 396092621 /nfs/dbraw/zinc/09/26/21/396092621.db2.gz DMVJNMOTPKWNLG-LSDHHAIUSA-N 0 1 318.373 0.678 50 0 DCAAMN Cn1c(=O)c2ccc(C(=O)NCC3(O)CCC3)cc2[nH]c1=S ZINC000170636143 396096157 /nfs/dbraw/zinc/09/61/57/396096157.db2.gz DOBGNGOMNWHEJX-UHFFFAOYSA-N 0 1 319.386 0.867 50 0 DCAAMN O=C(c1cccnc1-n1cncn1)N1CCN2CCCC[C@@H]2C1 ZINC000071839836 396118364 /nfs/dbraw/zinc/11/83/64/396118364.db2.gz OACCJNZAIASKAP-CYBMUJFWSA-N 0 1 312.377 0.973 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)n[nH]1 ZINC000076045185 396192575 /nfs/dbraw/zinc/19/25/75/396192575.db2.gz YHUIASCYVQYEPB-LLVKDONJSA-N 0 1 303.322 0.026 50 0 DCAAMN CC(C)(C)c1nc([C@H]2CN(CCn3cncn3)CCO2)n[nH]1 ZINC000076049748 396193903 /nfs/dbraw/zinc/19/39/03/396193903.db2.gz KZSNGTCHSUMNDU-LLVKDONJSA-N 0 1 305.386 0.767 50 0 DCAAMN CC(C)(C)c1nnc([C@H]2CN(CCn3cncn3)CCO2)[nH]1 ZINC000076049748 396193907 /nfs/dbraw/zinc/19/39/07/396193907.db2.gz KZSNGTCHSUMNDU-LLVKDONJSA-N 0 1 305.386 0.767 50 0 DCAAMN Cc1cc(NC(=O)CN2CCO[C@@H](c3n[nH]c(C)n3)C2)no1 ZINC000076048892 396194270 /nfs/dbraw/zinc/19/42/70/396194270.db2.gz BRDBVMNAYVKSDM-SNVBAGLBSA-N 0 1 306.326 0.422 50 0 DCAAMN Cc1nc([C@H]2CN(CC(=O)NCc3ccccn3)CCO2)n[nH]1 ZINC000076048095 396194312 /nfs/dbraw/zinc/19/43/12/396194312.db2.gz IJJCVGWJNLRWRC-CYBMUJFWSA-N 0 1 316.365 0.198 50 0 DCAAMN CC(C)(C)c1nc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n[nH]1 ZINC000078890050 396256111 /nfs/dbraw/zinc/25/61/11/396256111.db2.gz NZJUZBWGVDNBQR-UWVGGRQHSA-N 0 1 321.381 0.281 50 0 DCAAMN CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)[nH]1 ZINC000078890050 396256112 /nfs/dbraw/zinc/25/61/12/396256112.db2.gz NZJUZBWGVDNBQR-UWVGGRQHSA-N 0 1 321.381 0.281 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(C(=O)CCn3cncn3)CCO2)n1 ZINC000078889450 396256382 /nfs/dbraw/zinc/25/63/82/396256382.db2.gz PXRBKFRGLKYBBR-LLVKDONJSA-N 0 1 319.369 0.510 50 0 DCAAMN CC(C)c1nc([C@H]2CN(C(=O)CCn3cncn3)CCO2)n[nH]1 ZINC000078889450 396256385 /nfs/dbraw/zinc/25/63/85/396256385.db2.gz PXRBKFRGLKYBBR-LLVKDONJSA-N 0 1 319.369 0.510 50 0 DCAAMN CCc1nc([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n[nH]1 ZINC000078892637 396256822 /nfs/dbraw/zinc/25/68/22/396256822.db2.gz QKAMOTJNXWQWOD-JSGCOSHPSA-N 0 1 315.377 0.967 50 0 DCAAMN CN1CCN(c2ccc(C(=O)N3CCOC[C@@H](O)C3)cc2)CC1 ZINC000077486420 396224301 /nfs/dbraw/zinc/22/43/01/396224301.db2.gz MVYBJBSZWYNQDD-INIZCTEOSA-N 0 1 319.405 0.272 50 0 DCAAMN C[C@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)CCN1 ZINC000179183150 396224373 /nfs/dbraw/zinc/22/43/73/396224373.db2.gz JWGZXFKZSGFVFC-ZETCQYMHSA-N 0 1 300.156 0.571 50 0 DCAAMN CN(CCC(=O)[O-])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000269092104 396385380 /nfs/dbraw/zinc/38/53/80/396385380.db2.gz VREXWHREBPIHQC-AWEZNQCLSA-N 0 1 306.362 0.821 50 0 DCAAMN CN(CCC(=O)[O-])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000269092104 396385381 /nfs/dbraw/zinc/38/53/81/396385381.db2.gz VREXWHREBPIHQC-AWEZNQCLSA-N 0 1 306.362 0.821 50 0 DCAAMN Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)nc(C)n1 ZINC000584901392 396636896 /nfs/dbraw/zinc/63/68/96/396636896.db2.gz GLOCOQPXQWDRJK-GJZGRUSLSA-N 0 1 304.394 0.765 50 0 DCAAMN CC[C@@H](C(=O)N1CCN(Cc2nnc[nH]2)CC1)n1cccn1 ZINC000584901724 396637229 /nfs/dbraw/zinc/63/72/29/396637229.db2.gz YDRYLMOSAYTAML-LBPRGKRZSA-N 0 1 303.370 0.297 50 0 DCAAMN C[C@H](O)[C@@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140260 396641607 /nfs/dbraw/zinc/64/16/07/396641607.db2.gz AXWAMOGQHHUWOQ-ZFWWWQNUSA-N 0 1 308.378 0.935 50 0 DCAAMN C[C@H](O)[C@@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140260 396641610 /nfs/dbraw/zinc/64/16/10/396641610.db2.gz AXWAMOGQHHUWOQ-ZFWWWQNUSA-N 0 1 308.378 0.935 50 0 DCAAMN COC(=O)N1C[C@@H](O)[C@@H](N2CCCCC2)CN1C(=O)OC ZINC000001275873 415124874 /nfs/dbraw/zinc/12/48/74/415124874.db2.gz MMZZRSKYKIOHML-WDEREUQCSA-N 0 1 301.343 0.267 50 0 DCAAMN O=C(NCCc1cnc[nH]1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000009421451 415145870 /nfs/dbraw/zinc/14/58/70/415145870.db2.gz KPZUGSJZWPTSGU-GFCCVEGCSA-N 0 1 300.366 0.775 50 0 DCAAMN CC(C)C[C@H]1COCCN1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000079306083 415468388 /nfs/dbraw/zinc/46/83/88/415468388.db2.gz PVHYDBLAXPSOOG-LSDHHAIUSA-N 0 1 312.458 0.689 50 0 DCAAMN Cc1nnnn1[C@H](C(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000095357688 415552234 /nfs/dbraw/zinc/55/22/34/415552234.db2.gz SOVCKDBBDDUXHN-HNNXBMFYSA-N 0 1 323.360 0.879 50 0 DCAAMN Cc1nccn1Cc1nnc([C@H]2CCC[N@@H+](CC(=O)[O-])C2)n1C ZINC000095362315 415554780 /nfs/dbraw/zinc/55/47/80/415554780.db2.gz CYDNVAZBYNBJCN-LBPRGKRZSA-N 0 1 318.381 0.632 50 0 DCAAMN CCc1nnc(NC(=O)CN(C)c2ncnc3[nH]cnc32)s1 ZINC000095954407 415562184 /nfs/dbraw/zinc/56/21/84/415562184.db2.gz BVTLGRBVEJSEEE-UHFFFAOYSA-N 0 1 318.366 0.842 50 0 DCAAMN CC[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CCN1C[C@H](C)O ZINC000106869321 415650669 /nfs/dbraw/zinc/65/06/69/415650669.db2.gz LLNNGOPJLMHJCG-SMDDNHRTSA-N 0 1 323.441 0.742 50 0 DCAAMN O=C(CCc1n[nH]c2c1CCCC2)NCCN1CCOCC1 ZINC000097179431 415585200 /nfs/dbraw/zinc/58/52/00/415585200.db2.gz ZUBPIFZJXXAOIN-UHFFFAOYSA-N 0 1 306.410 0.670 50 0 DCAAMN Cc1n[nH]cc1CNCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000097159639 415586951 /nfs/dbraw/zinc/58/69/51/415586951.db2.gz MBBPVIRWNRITHD-GHMZBOCLSA-N 0 1 316.427 0.247 50 0 DCAAMN CC(=O)N1CCCN([C@H]2CN(Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000108087437 415675774 /nfs/dbraw/zinc/67/57/74/415675774.db2.gz CABSESQOTSRDKF-DOMZBBRYSA-N 0 1 321.425 0.753 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cccn2cnnc12 ZINC000299764866 416066041 /nfs/dbraw/zinc/06/60/41/416066041.db2.gz USDCXRRZVHTTMY-STQMWFEESA-N 0 1 301.350 0.322 50 0 DCAAMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H](C)N1 ZINC000179162275 416183590 /nfs/dbraw/zinc/18/35/90/416183590.db2.gz JHPBTOJGOKCZKP-OCAPTIKFSA-N 0 1 314.183 0.960 50 0 DCAAMN CS(=O)(=O)c1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)cc1 ZINC000216262581 416327340 /nfs/dbraw/zinc/32/73/40/416327340.db2.gz WUOCAZNFXWYNIC-HOTGVXAUSA-N 0 1 324.446 0.731 50 0 DCAAMN CC(C)OC[C@@H](O)CN1CCC[C@H]1C(=O)N1CCSCC1 ZINC000239667439 416330151 /nfs/dbraw/zinc/33/01/51/416330151.db2.gz BQCJWKCOLZDTKG-KBPBESRZSA-N 0 1 316.467 0.812 50 0 DCAAMN Nc1nc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc(=O)[nH]1 ZINC000426666941 416777039 /nfs/dbraw/zinc/77/70/39/416777039.db2.gz FEHFPBAZKHCSNS-LLVKDONJSA-N 0 1 303.366 0.769 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C[C@@H](C)N1 ZINC000246566367 287973111 /nfs/dbraw/zinc/97/31/11/287973111.db2.gz BAGCBKJVODXIIP-KYXWUPHJSA-N 0 1 307.316 0.652 50 0 DCAAMN C[C@H](C(=O)Nc1nccs1)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000106840916 289386008 /nfs/dbraw/zinc/38/60/08/289386008.db2.gz PQWCOEWILVCBTJ-SDDRHHMPSA-N 0 1 312.439 0.857 50 0 DCAAMN CCN1C[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](OC)C1 ZINC000534590760 334294145 /nfs/dbraw/zinc/29/41/45/334294145.db2.gz LQUUVVUAEUHQSD-KBPBESRZSA-N 0 1 305.378 0.252 50 0 DCAAMN O=C(Cc1cn2ccsc2n1)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000534676676 334323661 /nfs/dbraw/zinc/32/36/61/334323661.db2.gz 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/nfs/dbraw/zinc/28/99/70/184289970.db2.gz ZTPCUNUJVKVZBC-LLVKDONJSA-N 0 1 315.377 0.733 50 0 DCAAMN COC(=O)CN1CCC(Nc2cc(C)nc(N(C)C)n2)CC1 ZINC000065371857 184330274 /nfs/dbraw/zinc/33/02/74/184330274.db2.gz SXAAUVATSHXCFM-UHFFFAOYSA-N 0 1 307.398 0.900 50 0 DCAAMN CN1C(=O)C[C@H](C(=O)NCCCc2nn[nH]n2)c2ccccc21 ZINC000426690221 257244178 /nfs/dbraw/zinc/24/41/78/257244178.db2.gz CVPOLSHSUGXKPL-NSHDSACASA-N 0 1 314.349 0.399 50 0 DCAAMN C[C@@H](C(=O)NCc1nc(-c2cnccn2)n[nH]1)N1CCCCC1 ZINC000426399461 257251640 /nfs/dbraw/zinc/25/16/40/257251640.db2.gz UMUNDTRJAVOYIT-NSHDSACASA-N 0 1 315.381 0.752 50 0 DCAAMN COC(=O)CC(C)(C)C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000408516087 533296999 /nfs/dbraw/zinc/29/69/99/533296999.db2.gz MKHQLBOSLNXPOC-JTQLQIEISA-N 0 1 310.354 0.602 50 0 DCAAMN O=C(CN1CCN(C[C@H](O)C2CC2)CC1)Nc1cccnc1 ZINC000085436869 395700647 /nfs/dbraw/zinc/70/06/47/395700647.db2.gz ZMZVOVMYSCJSJJ-HNNXBMFYSA-N 0 1 304.394 0.409 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)c3cnn(C)c3C)CCO2)n[nH]1 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317.393 0.500 50 0 DCAAMN CCc1cc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)ccn1 ZINC000221394669 395851032 /nfs/dbraw/zinc/85/10/32/395851032.db2.gz LROCBNOEFOIKIS-UHFFFAOYSA-N 0 1 300.366 0.720 50 0 DCAAMN C[C@H]1CNCCN1C(=O)Cc1csc(N2CCCNC2=O)n1 ZINC000126378125 395912730 /nfs/dbraw/zinc/91/27/30/395912730.db2.gz MQRRAYIOKJIWLS-JTQLQIEISA-N 0 1 323.422 0.426 50 0 DCAAMN C[C@@H]1CN(C[C@H](O)Cn2nnc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000225708926 395863102 /nfs/dbraw/zinc/86/31/02/395863102.db2.gz LRRBZAOOCIKYLI-LOWVWBTDSA-N 0 1 323.422 0.872 50 0 DCAAMN Cc1ccnn1CCC(=O)N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000230567008 395881306 /nfs/dbraw/zinc/88/13/06/395881306.db2.gz QAACWRMLCLNSQD-MRXNPFEDSA-N 0 1 320.437 0.887 50 0 DCAAMN C[C@H]1CN(C(=O)CCn2nc3ccccn3c2=O)C[C@H](C)N1 ZINC000153253787 396022483 /nfs/dbraw/zinc/02/24/83/396022483.db2.gz SKMUUZFIZIFTJW-RYUDHWBXSA-N 0 1 303.366 0.095 50 0 DCAAMN CN(Cc1nnc[nH]1)S(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000253416216 396027931 /nfs/dbraw/zinc/02/79/31/396027931.db2.gz 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/nfs/dbraw/zinc/02/19/12/396021912.db2.gz VYOFZXSMWXYEHY-NSHDSACASA-N 0 1 303.357 0.432 50 0 DCAAMN O=C(C[C@@H]1COCCN1)NCc1nncn1-c1ccccc1 ZINC000262040009 396092285 /nfs/dbraw/zinc/09/22/85/396092285.db2.gz GCVJLRYWJYYQLI-GFCCVEGCSA-N 0 1 301.350 0.262 50 0 DCAAMN O=c1c2ccccc2n(CCN2CCCCC2)c(=O)n1CCO ZINC000071280369 396111772 /nfs/dbraw/zinc/11/17/72/396111772.db2.gz OHLHSWCELCOLMO-UHFFFAOYSA-N 0 1 317.389 0.641 50 0 DCAAMN Cn1ccc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cc1=O ZINC000071864321 396119397 /nfs/dbraw/zinc/11/93/97/396119397.db2.gz FUCPYXASKFCIDA-AWEZNQCLSA-N 0 1 321.421 0.550 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n[nH]1 ZINC000076045665 396193149 /nfs/dbraw/zinc/19/31/49/396193149.db2.gz SORGCCZIRXDEAQ-GXFFZTMASA-N 0 1 317.349 0.876 50 0 DCAAMN Cc1nc([C@@H]2CN(CC(=O)NCc3ccco3)CCO2)n[nH]1 ZINC000076048164 396193569 /nfs/dbraw/zinc/19/35/69/396193569.db2.gz JQRIYBGRVGTBQF-LBPRGKRZSA-N 0 1 305.338 0.396 50 0 DCAAMN CC(C)CN1CCN(C(=O)c2cncc(O)c2)C[C@@H]1CCO 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290028907 /nfs/dbraw/zinc/02/89/07/290028907.db2.gz WEPFKTGIXKPCQS-UHFFFAOYSA-N 0 1 313.357 0.651 50 0 DCAAMN C[N@H+]1CCN2CCN(Cc3ccc(OCC(=O)[O-])cc3)C[C@H]2C1 ZINC000247721672 290060535 /nfs/dbraw/zinc/06/05/35/290060535.db2.gz BHTXRWJKDPQNNE-OAHLLOKOSA-N 0 1 319.405 0.582 50 0 DCAAMN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000072282374 300315956 /nfs/dbraw/zinc/31/59/56/300315956.db2.gz CXARFAHOHLXJRA-WCQYABFASA-N 0 1 323.418 0.643 50 0 DCAAMN O=C(CN1CCCCCC1=O)NCc1cc2n(n1)CCNC2 ZINC000082087605 331989913 /nfs/dbraw/zinc/98/99/13/331989913.db2.gz VCGIKDLAQRELAR-UHFFFAOYSA-N 0 1 305.382 0.005 50 0 DCAAMN Cc1cccc2nc(CNC(=O)CN3CCN(C)C3=O)[nH]c21 ZINC000534651027 334312094 /nfs/dbraw/zinc/31/20/94/334312094.db2.gz PISJTBOLCQCQCK-UHFFFAOYSA-N 0 1 301.350 0.855 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000156561081 522273517 /nfs/dbraw/zinc/27/35/17/522273517.db2.gz JCXOUKJELFCZEM-NXEZZACHSA-N 0 1 315.395 0.387 50 0 DCAAMN 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184486911 /nfs/dbraw/zinc/48/69/11/184486911.db2.gz JRJIHQCNJYWTGZ-UHFFFAOYSA-N 0 1 310.379 0.493 50 0 DCAAMN Cc1cc(=O)c(OCC(=O)Nc2nc(C(C)C)n[nH]2)cn1C ZINC000524735048 257213688 /nfs/dbraw/zinc/21/36/88/257213688.db2.gz QODDOWIUAWZDSV-UHFFFAOYSA-N 0 1 305.338 0.953 50 0 DCAAMN Cc1cc(=O)c(OCC(=O)Nc2n[nH]c(C(C)C)n2)cn1C ZINC000524735048 257213689 /nfs/dbraw/zinc/21/36/89/257213689.db2.gz QODDOWIUAWZDSV-UHFFFAOYSA-N 0 1 305.338 0.953 50 0 DCAAMN Cc1[nH]ncc1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000285226785 131149814 /nfs/dbraw/zinc/14/98/14/131149814.db2.gz PPSNPAHPKOKZQQ-BFHYXJOUSA-N 0 1 308.382 0.790 50 0 DCAAMN CN1CC[C@@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@@H]2C1 ZINC000285645307 131189812 /nfs/dbraw/zinc/18/98/12/131189812.db2.gz FPOHVOXPVDCJRJ-NEPJUHHUSA-N 0 1 314.336 0.693 50 0 DCAAMN CCOc1cc(/C=C2\NC(=O)NC2=O)ccc1OCC(N)=O ZINC000014011330 395688912 /nfs/dbraw/zinc/68/89/12/395688912.db2.gz PCWJIFJZFUOQSU-UITAMQMPSA-N 0 1 305.290 0.130 50 0 DCAAMN 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ZINC001704307572 1179967756 /nfs/dbraw/zinc/96/77/56/1179967756.db2.gz ALRBROSTJNGWMW-QWRGUYRKSA-N 0 1 312.395 0.259 50 0 DCAAMN CCc1nccc(CN2C[C@H]3COC[C@@H]2C[N@@H+](CC(=O)[O-])C3)n1 ZINC001704308405 1179968408 /nfs/dbraw/zinc/96/84/08/1179968408.db2.gz QJKJWWDARRZUQU-JSGCOSHPSA-N 0 1 320.393 0.256 50 0 DCAAMN O=C([O-])c1n[nH]cc1C[N@@H+]1C[C@H](O)[C@H](Cc2ccncc2)C1 ZINC001704352347 1179982838 /nfs/dbraw/zinc/98/28/38/1179982838.db2.gz DMWNIIXASZSGLB-YPMHNXCESA-N 0 1 302.334 0.538 50 0 DCAAMN Cc1nnc(SCC(=O)NCCCc2csc(N)n2)[nH]1 ZINC000222643576 756426470 /nfs/dbraw/zinc/42/64/70/756426470.db2.gz PHOKTYSOOJYWNM-UHFFFAOYSA-N 0 1 312.424 0.993 50 0 DCAAMN Cc1n[nH]c(SCC(=O)NCCCc2csc(N)n2)n1 ZINC000222643576 756426473 /nfs/dbraw/zinc/42/64/73/756426473.db2.gz PHOKTYSOOJYWNM-UHFFFAOYSA-N 0 1 312.424 0.993 50 0 DCAAMN O=C(Cn1cnnn1)N[C@H]1CCCN(Cc2cccs2)C1 ZINC000827864710 758890417 /nfs/dbraw/zinc/89/04/17/758890417.db2.gz UALQDDZNIFVWAK-NSHDSACASA-N 0 1 306.395 0.515 50 0 DCAAMN 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/nfs/dbraw/zinc/25/62/32/1017256232.db2.gz GKFQYYASIWKCNM-GFCCVEGCSA-N 0 1 322.409 0.867 50 0 DCAAMN CC[N@@H+](CCn1cccn1)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC001506402812 1017256416 /nfs/dbraw/zinc/25/64/16/1017256416.db2.gz LZLOWJKWJWIOPJ-UHFFFAOYSA-N 0 1 318.381 0.716 50 0 DCAAMN CN1CCCC[C@@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000095399368 185353852 /nfs/dbraw/zinc/35/38/52/185353852.db2.gz LBRNRTRRAUCHFX-CYBMUJFWSA-N 0 1 300.366 0.967 50 0 DCAAMN O=C([O-])[C@H]1CN(S(=O)(=O)c2cc3ccccc3o2)CC[NH2+]1 ZINC000071747473 191020748 /nfs/dbraw/zinc/02/07/48/191020748.db2.gz JJRONOSKPOEJFK-SNVBAGLBSA-N 0 1 310.331 0.480 50 0 DCAAMN c1cnn(C[C@H]2CN(Cc3cc4n(n3)CCNC4)CCCO2)c1 ZINC000072153274 191056921 /nfs/dbraw/zinc/05/69/21/191056921.db2.gz SAIRLPFGIPYAGY-MRXNPFEDSA-N 0 1 316.409 0.474 50 0 DCAAMN O=C(NCc1nn[nH]n1)c1cn(Cc2c(F)cccc2F)nn1 ZINC000072171290 191070180 /nfs/dbraw/zinc/07/01/80/191070180.db2.gz QFYLDKDGVPWEED-UHFFFAOYSA-N 0 1 320.263 0.048 50 0 DCAAMN 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/nfs/dbraw/zinc/14/92/21/131149221.db2.gz PPSNPAHPKOKZQQ-MCIONIFRSA-N 0 1 308.382 0.790 50 0 DCAAMN Cc1ccc(Cn2c3c([nH]c2=NN)n(C)c(=O)[nH]c3=O)cc1 ZINC000012558755 395687893 /nfs/dbraw/zinc/68/78/93/395687893.db2.gz MRNAAEBZBXPEMD-UHFFFAOYSA-N 0 1 300.322 0.066 50 0 DCAAMN C[C@@H]1NC(=S)N(Cc2ccc(N3CCN(C)CC3)nc2)C1=O ZINC000032778513 395713327 /nfs/dbraw/zinc/71/33/27/395713327.db2.gz VACGCVCHYWRIPZ-NSHDSACASA-N 0 1 319.434 0.439 50 0 DCAAMN C[C@@H]1CN(C)CCN1CC(=O)NCCOc1cccc(F)c1 ZINC000089939026 395717076 /nfs/dbraw/zinc/71/70/76/395717076.db2.gz FDEJQIKTSFGOIO-CYBMUJFWSA-N 0 1 309.385 0.957 50 0 DCAAMN CC[C@@H](CNC(=O)NC[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC000089943405 395717667 /nfs/dbraw/zinc/71/76/67/395717667.db2.gz AJGOAMAMZXWMCU-OLZOCXBDSA-N 0 1 317.455 0.595 50 0 DCAAMN Cc1cccc2ncc(C(=O)N3CCc4nc[nH]c4C3)c(=O)n12 ZINC000096165683 395746639 /nfs/dbraw/zinc/74/66/39/395746639.db2.gz OLSHOEVDZPSMSN-UHFFFAOYSA-N 0 1 309.329 0.925 50 0 DCAAMN C[C@@H](CCc1cccn1C)NC(=O)NC[C@H]1CN(C)CCN1C 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0 DCAAMN CCOC(=O)c1cnn(CCN2CCC[C@H]2C(=O)N(C)C)c1N ZINC000069701389 396087892 /nfs/dbraw/zinc/08/78/92/396087892.db2.gz KHZBWLURTWUDAL-LBPRGKRZSA-N 0 1 323.397 0.195 50 0 DCAAMN COCCN1CCN(Cc2cccc(OCC(N)=O)c2)C[C@H]1C ZINC000069840515 396092020 /nfs/dbraw/zinc/09/20/20/396092020.db2.gz IRNFPXBQPIOWQC-CQSZACIVSA-N 0 1 321.421 0.703 50 0 DCAAMN CCC[C@H](C)S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000170613333 396096345 /nfs/dbraw/zinc/09/63/45/396096345.db2.gz VYKOAZWPFXJCLS-LBPRGKRZSA-N 0 1 305.444 0.211 50 0 DCAAMN CCNC(=O)N1CCC(NC(=O)[C@H](N)c2ccccc2)CC1 ZINC000071721484 396114409 /nfs/dbraw/zinc/11/44/09/396114409.db2.gz YPJYNKVFLGBEPA-CQSZACIVSA-N 0 1 304.394 0.997 50 0 DCAAMN C[C@H]1CN(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)CCO1 ZINC000071821653 396117127 /nfs/dbraw/zinc/11/71/27/396117127.db2.gz OMJBLVXMKKPQTC-LBPRGKRZSA-N 0 1 320.393 0.106 50 0 DCAAMN CCO[C@@H]1CCCN(C(=O)CN(C)c2ncnc3[nH]cnc32)C1 ZINC000071827141 396117203 /nfs/dbraw/zinc/11/72/03/396117203.db2.gz RMSZUJBMTSRBBP-LLVKDONJSA-N 0 1 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/nfs/dbraw/zinc/46/97/37/415469737.db2.gz PVHYDBLAXPSOOG-GJZGRUSLSA-N 0 1 312.458 0.689 50 0 DCAAMN CCc1ncc(C(=O)N2CCN(C3CCOCC3)CC2)cn1 ZINC000095358789 415555087 /nfs/dbraw/zinc/55/50/87/415555087.db2.gz ZDAYHADDMJFULX-UHFFFAOYSA-N 0 1 304.394 0.976 50 0 DCAAMN O=C1[C@@H](NCc2cccnc2)CCCN1CCN1CCOCC1 ZINC000096004736 415569036 /nfs/dbraw/zinc/56/90/36/415569036.db2.gz POUHZRRDMCHZEP-INIZCTEOSA-N 0 1 318.421 0.494 50 0 DCAAMN CCc1nnc(N2CCN(C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000107634473 415671295 /nfs/dbraw/zinc/67/12/95/415671295.db2.gz CXPOCKAVAVWIJZ-CQSZACIVSA-N 0 1 309.439 0.891 50 0 DCAAMN CN(CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119921716 415749359 /nfs/dbraw/zinc/74/93/59/415749359.db2.gz JPNYSYGHSKQWEQ-GBOPCIDUSA-N 0 1 323.437 0.517 50 0 DCAAMN CN1CCN([C@H]2CCN(C(=O)c3cc(O)ccc3F)C2)CC1 ZINC000299782675 416067571 /nfs/dbraw/zinc/06/75/71/416067571.db2.gz VYRXOYYKQGTSIM-LBPRGKRZSA-N 0 1 307.369 0.993 50 0 DCAAMN COCCOCC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 ZINC000215249410 416327004 /nfs/dbraw/zinc/32/70/04/416327004.db2.gz KKCRZEAOIBRYBM-UHFFFAOYSA-N 0 1 305.338 0.348 50 0 DCAAMN Cc1cc(C)c(C(=O)N2CCN(Cc3nnc[nH]3)CC2)c(=O)[nH]1 ZINC000215288720 416327105 /nfs/dbraw/zinc/32/71/05/416327105.db2.gz WMUVBIZPZLKWAO-UHFFFAOYSA-N 0 1 316.365 0.068 50 0 DCAAMN Cn1ccn2ncc(C(=O)NCC[N@H+]3CCC[C@H](CO)C3)c12 ZINC000215169471 416327160 /nfs/dbraw/zinc/32/71/60/416327160.db2.gz NCHLGHJBVMLZKT-LBPRGKRZSA-N 0 1 305.382 0.107 50 0 DCAAMN CC(C)n1nccc1NC(=O)CN1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000239351938 416329969 /nfs/dbraw/zinc/32/99/69/416329969.db2.gz AAUQDUXGJIUYRA-KGLIPLIRSA-N 0 1 323.441 0.789 50 0 DCAAMN Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(F)c1 ZINC000647886466 418071230 /nfs/dbraw/zinc/07/12/30/418071230.db2.gz UDZZGINFCVPCET-RYUDHWBXSA-N 0 1 302.371 0.430 50 0 DCAAMN Cc1nc(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)n[nH]1 ZINC000097785106 262547138 /nfs/dbraw/zinc/54/71/38/262547138.db2.gz JHCNARWUPFLPTG-UHFFFAOYSA-N 0 1 323.378 0.293 50 0 DCAAMN CN(C)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1 ZINC000012453821 289041896 /nfs/dbraw/zinc/04/18/96/289041896.db2.gz ARSVDXPCELXKTG-UHFFFAOYSA-N 0 1 301.390 0.434 50 0 DCAAMN CCN1C[C@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](OC)C1 ZINC000534670924 334320250 /nfs/dbraw/zinc/32/02/50/334320250.db2.gz KZFMDNZXYMJEDN-ZFWWWQNUSA-N 0 1 318.377 0.973 50 0 DCAAMN C[N@H+]1CC[C@H]2CN(C(=O)c3cc(=O)n(-c4ccccc4)[n-]3)C[C@H]21 ZINC000077419061 545679359 /nfs/dbraw/zinc/67/93/59/545679359.db2.gz AEUNRDWASLWDPP-SWLSCSKDSA-N 0 1 312.373 0.942 50 0 DCAAMN Cc1nc(CN2CC[C@@H](NC(=O)CN(C)C)[C@H](O)C2)cs1 ZINC000299777159 662681078 /nfs/dbraw/zinc/68/10/78/662681078.db2.gz JQEKEUUZHBNBQU-CHWSQXEVSA-N 0 1 312.439 0.065 50 0 DCAAMN C[C@H](N[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)C(=O)N(C)C ZINC000864086630 667213820 /nfs/dbraw/zinc/21/38/20/667213820.db2.gz HECGXYHWDPWWJG-RYUDHWBXSA-N 0 1 315.414 0.689 50 0 DCAAMN NC(=O)CN1CCC[C@H](C(=O)NCCOCc2ccccc2)C1 ZINC000952980437 685601128 /nfs/dbraw/zinc/60/11/28/685601128.db2.gz QPLQNWAPPKVDNS-HNNXBMFYSA-N 0 1 319.405 0.517 50 0 DCAAMN CCOCC(=O)N1CCC(CNC(=O)CN2CCCC2)CC1 ZINC000952985095 685601746 /nfs/dbraw/zinc/60/17/46/685601746.db2.gz BMQVSTMBZOTMHB-UHFFFAOYSA-N 0 1 311.426 0.474 50 0 DCAAMN COc1ccc(CCNC(=O)CN2C[C@@H]3[C@@H](O)C[C@@H]3C2)cc1 ZINC001772702366 1157842029 /nfs/dbraw/zinc/84/20/29/1157842029.db2.gz JNNIRWDKPLJDJU-KBMXLJTQSA-N 0 1 304.390 0.667 50 0 DCAAMN CCNc1ncc(CN2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)cn1 ZINC001704353849 1179983123 /nfs/dbraw/zinc/98/31/23/1179983123.db2.gz UIEBGMUMIWOVOU-UKRRQHHQSA-N 0 1 316.409 0.975 50 0 DCAAMN CCNc1ncc(CN2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cn1 ZINC001704353849 1179983130 /nfs/dbraw/zinc/98/31/30/1179983130.db2.gz UIEBGMUMIWOVOU-UKRRQHHQSA-N 0 1 316.409 0.975 50 0 DCAAMN COc1cccc(CN2C[C@H]3CN(C(C)=O)CC[C@@]3(CO)C2)n1 ZINC000675020974 748027318 /nfs/dbraw/zinc/02/73/18/748027318.db2.gz JDWVYNPNSDJDQS-YOEHRIQHSA-N 0 1 319.405 0.753 50 0 DCAAMN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@@H]1c1nn[nH]n1 ZINC000585087437 766274109 /nfs/dbraw/zinc/27/41/09/766274109.db2.gz HLOBKZDCDUPUDS-NXEZZACHSA-N 0 1 322.369 0.873 50 0 DCAAMN O=C([O-])c1ccc(N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)nn1 ZINC001506412745 1017260742 /nfs/dbraw/zinc/26/07/42/1017260742.db2.gz NTZKJROFZYQEKD-LBPRGKRZSA-N 0 1 306.366 0.458 50 0 DCAAMN Cc1nncn1CCN1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC001506415864 1017264389 /nfs/dbraw/zinc/26/43/89/1017264389.db2.gz QOYMTSTUZGNQHD-CYBMUJFWSA-N 0 1 302.382 0.915 50 0 DCAAMN O=C(NCCc1nc[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000081763444 192322122 /nfs/dbraw/zinc/32/21/22/192322122.db2.gz PDAREHBOQONBRG-AWEZNQCLSA-N 0 1 315.377 0.364 50 0 DCAAMN Cc1cnn(CC2CCN(C(=O)C[C@H]3COCCN3)CC2)c1 ZINC000072146102 191052571 /nfs/dbraw/zinc/05/25/71/191052571.db2.gz ZTTBBLQFYMJUNN-HNNXBMFYSA-N 0 1 306.410 0.809 50 0 DCAAMN C[N@@H+](CCO)C[C@@H](CC(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000072405440 191151621 /nfs/dbraw/zinc/15/16/21/191151621.db2.gz YVPFAXQBXAKVNS-SECBINFHSA-N 0 1 315.757 0.689 50 0 DCAAMN CN(CCO)S(=O)(=O)c1ccccc1CN[C@@H]1CCOC1 ZINC000237176553 202176711 /nfs/dbraw/zinc/17/67/11/202176711.db2.gz HBHCDQMJCJNAOI-CYBMUJFWSA-N 0 1 314.407 0.178 50 0 DCAAMN Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C1CC[NH2+]CC1 ZINC000237742999 202344777 /nfs/dbraw/zinc/34/47/77/202344777.db2.gz ULINTTQWXFEFSG-UHFFFAOYSA-N 0 1 303.366 0.255 50 0 DCAAMN CCn1nc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C(=O)[O-])C2)cc1C ZINC000091459800 193059403 /nfs/dbraw/zinc/05/94/03/193059403.db2.gz NTKIATOZJWFTQZ-IAQYHMDHSA-N 0 1 306.366 0.300 50 0 DCAAMN COCCN1CCC[C@@]2(CCN(Cc3ncccn3)C2)C1=O ZINC000091350709 193045392 /nfs/dbraw/zinc/04/53/92/193045392.db2.gz SBUTYPSWMBUMEL-INIZCTEOSA-N 0 1 304.394 0.938 50 0 DCAAMN Cc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)n[nH]1 ZINC000091616877 193079328 /nfs/dbraw/zinc/07/93/28/193079328.db2.gz HLPUEVQJXFWOSG-OLZOCXBDSA-N 0 1 309.366 0.083 50 0 DCAAMN CC[N@@H+]1C[C@@H]2CN(c3nc(C)cc(NC)n3)C[C@]2(C(=O)[O-])C1 ZINC000091486747 193062927 /nfs/dbraw/zinc/06/29/27/193062927.db2.gz CQLYFJFOFXRKAC-IAQYHMDHSA-N 0 1 305.382 0.669 50 0 DCAAMN CC[N@H+]1C[C@@H]2CN(c3nc(C)cc(NC)n3)C[C@]2(C(=O)[O-])C1 ZINC000091486747 193062929 /nfs/dbraw/zinc/06/29/29/193062929.db2.gz CQLYFJFOFXRKAC-IAQYHMDHSA-N 0 1 305.382 0.669 50 0 DCAAMN COCC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(=O)[nH]c(C)n2)C1 ZINC000091646024 193084687 /nfs/dbraw/zinc/08/46/87/193084687.db2.gz MBZXYUUIKITRBS-OAHLLOKOSA-N 0 1 309.366 0.782 50 0 DCAAMN CC(NCCCO)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020292310 182203268 /nfs/dbraw/zinc/20/32/68/182203268.db2.gz OQQRZOOVDNWHGK-ZRDIBKRKSA-N 0 1 309.366 0.644 50 0 DCAAMN CC(=O)c1cccc(OC[C@H](O)CN2CCC(C(N)=O)CC2)c1 ZINC000023387118 182359171 /nfs/dbraw/zinc/35/91/71/182359171.db2.gz MMUCWAFWKHUWKN-OAHLLOKOSA-N 0 1 320.389 0.826 50 0 DCAAMN COC(=O)[C@H](CO)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000574217561 291682041 /nfs/dbraw/zinc/68/20/41/291682041.db2.gz STZAKAWKYJRUPD-QMMMGPOBSA-N 0 1 307.224 0.675 50 0 DCAAMN CC(C)[C@@H](CNC(=O)[C@@H](C)n1cncn1)N1CCN(C)CC1 ZINC000042582859 183286460 /nfs/dbraw/zinc/28/64/60/183286460.db2.gz AEAHNJNIXDMMPG-ZIAGYGMSSA-N 0 1 308.430 0.227 50 0 DCAAMN C[C@@H]1CN(C[C@@H](O)Cn2nnnc2-c2ccccn2)C[C@@H](C)O1 ZINC000106794102 194254865 /nfs/dbraw/zinc/25/48/65/194254865.db2.gz TUPMEEGWQYWOAO-JHJVBQTASA-N 0 1 318.381 0.205 50 0 DCAAMN COc1c(CNCCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000058404234 184113548 /nfs/dbraw/zinc/11/35/48/184113548.db2.gz VLUCZIBADXHFDB-RYUDHWBXSA-N 0 1 324.425 0.853 50 0 DCAAMN Cc1cc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)no1 ZINC000062292674 184228282 /nfs/dbraw/zinc/22/82/82/184228282.db2.gz ZEFXXUGEDLDBTO-UHFFFAOYSA-N 0 1 301.310 0.402 50 0 DCAAMN CCn1ncc(NC(=O)c2cccc(CN(C)CCO)c2)n1 ZINC000065488490 184352961 /nfs/dbraw/zinc/35/29/61/184352961.db2.gz UBYJTEUXQFBZGH-UHFFFAOYSA-N 0 1 303.366 0.974 50 0 DCAAMN Cn1c2ccccc2cc(C(=O)NCCCc2nn[nH]n2)c1=O ZINC000426635604 257245018 /nfs/dbraw/zinc/24/50/18/257245018.db2.gz WEQUEUWKWPBGGX-UHFFFAOYSA-N 0 1 312.333 0.414 50 0 DCAAMN Cc1cc(C)n(CCC[N@@H+](C)Cc2cc(=O)n3[n-]cnc3n2)n1 ZINC000334159600 257261965 /nfs/dbraw/zinc/26/19/65/257261965.db2.gz LBMGEVZRYUYKOO-UHFFFAOYSA-N 0 1 315.381 0.753 50 0 DCAAMN Cc1cc(C)n(CCC[N@H+](C)Cc2cc(=O)n3[n-]cnc3n2)n1 ZINC000334159600 257261966 /nfs/dbraw/zinc/26/19/66/257261966.db2.gz LBMGEVZRYUYKOO-UHFFFAOYSA-N 0 1 315.381 0.753 50 0 DCAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(OCC(N)=O)cc1 ZINC000000073816 395679646 /nfs/dbraw/zinc/67/96/46/395679646.db2.gz WRDYDFUCLJVUGZ-ZDUSSCGKSA-N 0 1 319.317 0.352 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCN(C)C(=O)C3)CCO2)n[nH]1 ZINC000089289712 395709485 /nfs/dbraw/zinc/70/94/85/395709485.db2.gz FTKHPXJUPDRHAI-QWRGUYRKSA-N 0 1 321.381 0.135 50 0 DCAAMN Cc1cc(N2CCCCC2)nc(NCCNS(C)(=O)=O)n1 ZINC000036708123 395724471 /nfs/dbraw/zinc/72/44/71/395724471.db2.gz LGAKOEBUWPFBJP-UHFFFAOYSA-N 0 1 313.427 0.736 50 0 DCAAMN C[C@@]1(O)CCN(C(=O)c2ccc(CN3CCCC3)o2)C[C@@H]1O ZINC000096133354 395745805 /nfs/dbraw/zinc/74/58/05/395745805.db2.gz HXHHBVXTNQVOKG-GOEBONIOSA-N 0 1 308.378 0.833 50 0 DCAAMN O=C([O-])[C@H]1CN(Cc2cn[nH]n2)CC[N@@H+](Cc2ccco2)C1 ZINC000097634985 395759083 /nfs/dbraw/zinc/75/90/83/395759083.db2.gz CNMLJMCLUVFRFP-NSHDSACASA-N 0 1 305.338 0.416 50 0 DCAAMN O=C([O-])[C@H]1CN(Cc2c[nH]nn2)CC[N@H+](Cc2ccco2)C1 ZINC000097634985 395759084 /nfs/dbraw/zinc/75/90/84/395759084.db2.gz CNMLJMCLUVFRFP-NSHDSACASA-N 0 1 305.338 0.416 50 0 DCAAMN O=C([O-])[C@H]1CN(Cc2c[nH]nn2)CC[N@@H+](Cc2ccco2)C1 ZINC000097634985 395759086 /nfs/dbraw/zinc/75/90/86/395759086.db2.gz CNMLJMCLUVFRFP-NSHDSACASA-N 0 1 305.338 0.416 50 0 DCAAMN O=C([O-])c1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000097717020 395760306 /nfs/dbraw/zinc/76/03/06/395760306.db2.gz ZJDIDGFOODAZBO-CQSZACIVSA-N 0 1 306.362 0.961 50 0 DCAAMN Nc1nc(NCCSc2nc[nH]n2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000244866646 395925949 /nfs/dbraw/zinc/92/59/49/395925949.db2.gz VZUBNKFSEHIEJG-OCAPTIKFSA-N 0 1 307.383 0.619 50 0 DCAAMN CC(C)c1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)n[nH]1 ZINC000052823212 395870433 /nfs/dbraw/zinc/87/04/33/395870433.db2.gz QCYFLTSTNIGZRN-JTQLQIEISA-N 0 1 314.411 0.687 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N1CCO[C@@H](C)C1 ZINC000229560348 395875745 /nfs/dbraw/zinc/87/57/45/395875745.db2.gz HURKSGFQDCUOKR-NUEKZKHPSA-N 0 1 323.437 0.709 50 0 DCAAMN C[C@H](CCc1ccccc1)CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230178845 395878829 /nfs/dbraw/zinc/87/88/29/395878829.db2.gz NFBJQXGKRMJKOT-ZBFHGGJFSA-N 0 1 315.417 0.898 50 0 DCAAMN Cn1cc(-n2cc3[nH]c(N4CCN(C)CC4)ncc-3c2=O)cn1 ZINC000057279588 395942260 /nfs/dbraw/zinc/94/22/60/395942260.db2.gz WXSCTSIXIRHHDU-UHFFFAOYSA-N 0 1 313.365 0.122 50 0 DCAAMN Cc1nc([C@@H]2CCCN2CCn2c(=O)cc(C)[nH]c2=O)n[nH]1 ZINC000253537412 396030655 /nfs/dbraw/zinc/03/06/55/396030655.db2.gz WQIXEODHLZUITH-NSHDSACASA-N 0 1 304.354 0.521 50 0 DCAAMN CN1CCN(C(=O)CCc2[nH]nc3c2CCCC3)C[C@@H]1C(=O)[O-] ZINC000067871737 396037452 /nfs/dbraw/zinc/03/74/52/396037452.db2.gz LTBKSKYMSWGZHK-CQSZACIVSA-N 0 1 320.393 0.448 50 0 DCAAMN C[C@@H]1CN(C(=O)CN2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069652606 396086334 /nfs/dbraw/zinc/08/63/34/396086334.db2.gz NRNUKXKQPKUSLI-KGLIPLIRSA-N 0 1 307.398 0.237 50 0 DCAAMN CCOCCN1CCN(c2ccc3nnnn3n2)C[C@H]1CC ZINC000069697907 396087186 /nfs/dbraw/zinc/08/71/86/396087186.db2.gz FJBLVSVZCNHDNL-GFCCVEGCSA-N 0 1 305.386 0.456 50 0 DCAAMN C[C@@H](C(=O)N1CCN(C[C@H](O)C(C)(C)C)CC1)n1ccnc1 ZINC000069770357 396089722 /nfs/dbraw/zinc/08/97/22/396089722.db2.gz BHIJCXRBSFKNMR-KBPBESRZSA-N 0 1 308.426 0.995 50 0 DCAAMN Cc1cc(CN(C)[C@@H]2CCc3nn(C)c(=O)n3CC2)n(C)n1 ZINC000169783350 396091886 /nfs/dbraw/zinc/09/18/86/396091886.db2.gz SCTSHDKGWLNPHF-GFCCVEGCSA-N 0 1 304.398 0.461 50 0 DCAAMN Cn1cc(CCC(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)cn1 ZINC000069966599 396096079 /nfs/dbraw/zinc/09/60/79/396096079.db2.gz JZTBGCYLVDYWKE-HNNXBMFYSA-N 0 1 322.453 0.904 50 0 DCAAMN CCCCN(CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000070947305 396107202 /nfs/dbraw/zinc/10/72/02/396107202.db2.gz GQDJVQRMXWKTEW-CQSZACIVSA-N 0 1 314.426 0.883 50 0 DCAAMN C[N@@H+]1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C(=O)[O-] ZINC000071278963 396111533 /nfs/dbraw/zinc/11/15/33/396111533.db2.gz MJHRZGMQFQMNGJ-LBPRGKRZSA-N 0 1 315.333 0.313 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C(=O)[O-] ZINC000071278963 396111534 /nfs/dbraw/zinc/11/15/34/396111534.db2.gz MJHRZGMQFQMNGJ-LBPRGKRZSA-N 0 1 315.333 0.313 50 0 DCAAMN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000071839860 396118519 /nfs/dbraw/zinc/11/85/19/396118519.db2.gz AQPNWICGBZHVEG-GFCCVEGCSA-N 0 1 320.393 0.001 50 0 DCAAMN COCCCNC(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000071877470 396121885 /nfs/dbraw/zinc/12/18/85/396121885.db2.gz MQHLJRRLOZFWMG-CQSZACIVSA-N 0 1 321.425 0.530 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N1CCOCC1 ZINC000071880507 396122529 /nfs/dbraw/zinc/12/25/29/396122529.db2.gz NKYWBHUHENTBKI-HUUCEWRRSA-N 0 1 309.410 0.321 50 0 DCAAMN Cc1nc(C)n(C[C@H]2CCCN2CC(=O)N2CCO[C@H](C)C2)n1 ZINC000069491512 396080393 /nfs/dbraw/zinc/08/03/93/396080393.db2.gz DPNTWEFHROFVDW-IUODEOHRSA-N 0 1 321.425 0.607 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)CCO2)n[nH]1 ZINC000076045660 396192630 /nfs/dbraw/zinc/19/26/30/396192630.db2.gz SORGCCZIRXDEAQ-ZWNOBZJWSA-N 0 1 317.349 0.876 50 0 DCAAMN Cc1noc(CCCC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)n1 ZINC000076045566 396192757 /nfs/dbraw/zinc/19/27/57/396192757.db2.gz WLLWAPPCCJYBRK-LLVKDONJSA-N 0 1 320.353 0.727 50 0 DCAAMN CCCc1nc([C@@H]2CN(C(=O)CCn3ccnn3)CCO2)n[nH]1 ZINC000076046092 396192785 /nfs/dbraw/zinc/19/27/85/396192785.db2.gz VNVBPODGKOIDDL-NSHDSACASA-N 0 1 319.369 0.339 50 0 DCAAMN CCCc1n[nH]c([C@@H]2CN(C(=O)CCn3ccnn3)CCO2)n1 ZINC000076046092 396192787 /nfs/dbraw/zinc/19/27/87/396192787.db2.gz VNVBPODGKOIDDL-NSHDSACASA-N 0 1 319.369 0.339 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n[nH]1 ZINC000076044873 396192902 /nfs/dbraw/zinc/19/29/02/396192902.db2.gz JCAINSBFHODXTD-NSHDSACASA-N 0 1 305.342 0.085 50 0 DCAAMN CCc1ncncc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000076045141 396192909 /nfs/dbraw/zinc/19/29/09/396192909.db2.gz BVYORTFFYAJDHP-GFCCVEGCSA-N 0 1 302.338 0.679 50 0 DCAAMN COCCN1C[C@@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CC1=O ZINC000184592633 396299257 /nfs/dbraw/zinc/29/92/57/396299257.db2.gz GSNQJDJJXDWAOL-JTQLQIEISA-N 0 1 307.354 0.506 50 0 DCAAMN COCCN1C[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CC1=O ZINC000184592633 396299260 /nfs/dbraw/zinc/29/92/60/396299260.db2.gz GSNQJDJJXDWAOL-JTQLQIEISA-N 0 1 307.354 0.506 50 0 DCAAMN Cc1cc(N2CC[C@H](NCc3c(C)cnn3C)C2=O)n(C)n1 ZINC000286296807 396386352 /nfs/dbraw/zinc/38/63/52/396386352.db2.gz CGLDWZJJILOKCK-LBPRGKRZSA-N 0 1 302.382 0.666 50 0 DCAAMN COC(=O)c1cc(O)cc(C(=O)NC[C@H]2CN(C)CCN2C)c1 ZINC000584889444 396633214 /nfs/dbraw/zinc/63/32/14/396633214.db2.gz KQEYRJNZFMEIHK-ZDUSSCGKSA-N 0 1 321.377 0.154 50 0 DCAAMN Cc1cccc2nc(CCNC(=O)CN3CCOCC3)[nH]c21 ZINC000584895913 396634669 /nfs/dbraw/zinc/63/46/69/396634669.db2.gz GXHVMBSJZCZAHT-UHFFFAOYSA-N 0 1 302.378 0.862 50 0 DCAAMN CCN1CCN(CC(=O)NC[C@H](O)Cc2ccccc2)CC1 ZINC000304935933 396734705 /nfs/dbraw/zinc/73/47/05/396734705.db2.gz HSJNCOGBCBFVDU-MRXNPFEDSA-N 0 1 305.422 0.344 50 0 DCAAMN Cn1ccc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)n1 ZINC000329448538 159093277 /nfs/dbraw/zinc/09/32/77/159093277.db2.gz DCMPHZMVZQWFJZ-UHFFFAOYSA-N 0 1 313.301 0.810 50 0 DCAAMN CCN1CCN(c2ncc3c(=O)n(CCOC)cc-3[nH]2)CC1 ZINC000046087110 415256050 /nfs/dbraw/zinc/25/60/50/415256050.db2.gz YTBAQNFHPOGRGE-UHFFFAOYSA-N 0 1 305.382 0.221 50 0 DCAAMN Cc1cnc(N2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)nc1N ZINC000072154508 415410422 /nfs/dbraw/zinc/41/04/22/415410422.db2.gz SJGJVUPGCNTSHT-NSHDSACASA-N 0 1 305.382 0.743 50 0 DCAAMN Cn1nc([C@@H]2CCC[N@@H+](CC(=O)[O-])C2)n(-c2ccccc2)c1=O ZINC000067712746 415385201 /nfs/dbraw/zinc/38/52/01/415385201.db2.gz FZUWELNPGHEAGL-GFCCVEGCSA-N 0 1 316.361 0.835 50 0 DCAAMN C[C@@H](O)CN1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C ZINC000075129328 415436616 /nfs/dbraw/zinc/43/66/16/415436616.db2.gz YMBKNRDJKVHOFV-CHWSQXEVSA-N 0 1 309.454 0.678 50 0 DCAAMN Cc1ccc([C@@H]2CN(C(CO)CO)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077518368 415462318 /nfs/dbraw/zinc/46/23/18/415462318.db2.gz LHANCZVRZVSYQG-DLBZAZTESA-N 0 1 318.417 0.642 50 0 DCAAMN CN(Cc1cscn1)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000095955357 415565103 /nfs/dbraw/zinc/56/51/03/415565103.db2.gz UVFLKKWEVACWGW-UHFFFAOYSA-N 0 1 317.378 0.904 50 0 DCAAMN C[C@H](O)CN1CCN(CC(=O)N(C)Cc2ccco2)C[C@@H]1C ZINC000106869299 415653190 /nfs/dbraw/zinc/65/31/90/415653190.db2.gz FUTGUFYFYRNJHP-KBPBESRZSA-N 0 1 309.410 0.625 50 0 DCAAMN CC[C@H]1CN(CC(=O)Nc2nccs2)CCN1C[C@H](C)O ZINC000107351148 415667645 /nfs/dbraw/zinc/66/76/45/415667645.db2.gz QSUUWYJILMVZSC-RYUDHWBXSA-N 0 1 312.439 0.859 50 0 DCAAMN COc1ccc2nc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000299773350 416065224 /nfs/dbraw/zinc/06/52/24/416065224.db2.gz FIUFABIQQFGJCK-SECBINFHSA-N 0 1 323.374 0.622 50 0 DCAAMN Cc1cccc2nc(CCNC(=O)CCNS(C)(=O)=O)[nH]c21 ZINC000299769775 416066529 /nfs/dbraw/zinc/06/65/29/416066529.db2.gz UUVNUQIAMUUKGF-UHFFFAOYSA-N 0 1 324.406 0.469 50 0 DCAAMN CCc1cc(C[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)[nH]n1 ZINC000299790139 416068898 /nfs/dbraw/zinc/06/88/98/416068898.db2.gz AQTYBLWWUKBUNW-GXFFZTMASA-N 0 1 318.381 0.791 50 0 DCAAMN CCc1cc(C[N@@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)n[nH]1 ZINC000299790139 416068902 /nfs/dbraw/zinc/06/89/02/416068902.db2.gz AQTYBLWWUKBUNW-GXFFZTMASA-N 0 1 318.381 0.791 50 0 DCAAMN CCc1cc(C[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)n[nH]1 ZINC000299790139 416068906 /nfs/dbraw/zinc/06/89/06/416068906.db2.gz AQTYBLWWUKBUNW-GXFFZTMASA-N 0 1 318.381 0.791 50 0 DCAAMN C[N@H+]1C[C@H](NC(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1CO ZINC000215044220 416326912 /nfs/dbraw/zinc/32/69/12/416326912.db2.gz XEPDWOKTRHAKND-NEPJUHHUSA-N 0 1 301.346 0.323 50 0 DCAAMN COCCN1C[C@H](CNC(=O)c2cccc(F)c2O)CC1=O ZINC000216392465 416327461 /nfs/dbraw/zinc/32/74/61/416327461.db2.gz MGSJHLLUZGSGIF-JTQLQIEISA-N 0 1 310.325 0.756 50 0 DCAAMN C[C@]1(c2ccccc2)CN(C(=O)CCc2nn[nH]n2)CCO1 ZINC000585131960 416519707 /nfs/dbraw/zinc/51/97/07/416519707.db2.gz KQPJUPAFZPVIRM-OAHLLOKOSA-N 0 1 301.350 0.907 50 0 DCAAMN CN1C(=O)COc2ccc(C(=O)NCCc3nc[nH]n3)cc21 ZINC000529433857 417462721 /nfs/dbraw/zinc/46/27/21/417462721.db2.gz ZIAFSDOTGZAEKK-UHFFFAOYSA-N 0 1 301.306 0.132 50 0 DCAAMN CN(C)c1ncc(CN[C@@]2(CO)COc3ccccc3C2)cn1 ZINC000527769935 287705766 /nfs/dbraw/zinc/70/57/66/287705766.db2.gz SUAFLUCCXQKHNN-KRWDZBQOSA-N 0 1 314.389 0.998 50 0 DCAAMN Cc1nnc(SCC(=O)NCc2noc([C@@H]3CCCO3)n2)[nH]1 ZINC000534671676 334320533 /nfs/dbraw/zinc/32/05/33/334320533.db2.gz NZRSCAULJUALCT-QMMMGPOBSA-N 0 1 324.366 0.756 50 0 DCAAMN Cc1n[nH]c(SCC(=O)NCc2noc([C@@H]3CCCO3)n2)n1 ZINC000534671676 334320535 /nfs/dbraw/zinc/32/05/35/334320535.db2.gz NZRSCAULJUALCT-QMMMGPOBSA-N 0 1 324.366 0.756 50 0 DCAAMN Cc1c[nH]c(CN2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)n1 ZINC000299775905 533981166 /nfs/dbraw/zinc/98/11/66/533981166.db2.gz LFTZLJNTKOLSEY-FQLMCAECSA-N 0 1 307.394 0.706 50 0 DCAAMN O=C(c1cnn2cc(Br)cnc12)N1CCNCC1 ZINC000236586851 526891285 /nfs/dbraw/zinc/89/12/85/526891285.db2.gz DBLMGIGHSCCWSU-UHFFFAOYSA-N 0 1 310.155 0.537 50 0 DCAAMN CCN(CC)S(=O)(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000240551679 528212082 /nfs/dbraw/zinc/21/20/82/528212082.db2.gz GVIKTDBCMOIFEO-CQSZACIVSA-N 0 1 319.471 0.760 50 0 DCAAMN CCc1nc([C@H]2CN(CC(=O)Nc3cccnc3)CCO2)n[nH]1 ZINC000083830095 545697665 /nfs/dbraw/zinc/69/76/65/545697665.db2.gz VIUXQTVHZOHEDJ-GFCCVEGCSA-N 0 1 316.365 0.774 50 0 DCAAMN C[NH+](C)C[C@H]1[C@@H]2CN(Cc3cnc(NCC(=O)[O-])nc3)C[C@H]12 ZINC000670433991 547087993 /nfs/dbraw/zinc/08/79/93/547087993.db2.gz AMZZYDLXENOUPE-XYYAHUGASA-N 0 1 305.382 0.213 50 0 DCAAMN CCNC(=O)[C@H]1CCN(c2cc(C)nc(N3CCOCC3)n2)C1 ZINC000670453211 547096617 /nfs/dbraw/zinc/09/66/17/547096617.db2.gz DDWRFJSDSMHOEB-ZDUSSCGKSA-N 0 1 319.409 0.584 50 0 DCAAMN CN(C)C(=O)c1cn[nH]c1[C@H]1CCCCN1Cc1nnn(C)n1 ZINC000685939887 548745797 /nfs/dbraw/zinc/74/57/97/548745797.db2.gz YJWHKXQHYQGZBD-LLVKDONJSA-N 0 1 318.385 0.362 50 0 DCAAMN Cn1c(CO)nnc1[C@H]1CCCN(CCN2CCCC2=O)C1 ZINC000244872740 660602644 /nfs/dbraw/zinc/60/26/44/660602644.db2.gz WDPMDHAFILTFIZ-LBPRGKRZSA-N 0 1 307.398 0.109 50 0 DCAAMN CCc1nn(C)c(Cl)c1CN1CC[N@@H+](C)[C@@H](C(=O)[O-])C1 ZINC000257372067 659270367 /nfs/dbraw/zinc/27/03/67/659270367.db2.gz WTTIABMURHZMSL-LLVKDONJSA-N 0 1 300.790 0.837 50 0 DCAAMN CC[C@H](CO)Nc1cc(N2CCN(CCO)C(C)(C)C2)ncn1 ZINC000871101355 664725170 /nfs/dbraw/zinc/72/51/70/664725170.db2.gz NIOVOUCHGGOVJR-CYBMUJFWSA-N 0 1 323.441 0.552 50 0 DCAAMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(OC)ns2)C1 ZINC000863982627 667205675 /nfs/dbraw/zinc/20/56/75/667205675.db2.gz WPGCIAOCCGHOEE-UHFFFAOYSA-N 0 1 313.379 0.819 50 0 DCAAMN CC1=C(C(=O)N2CCC[C@H](CN3CCOCC3)C2)OCCO1 ZINC000952963734 685598292 /nfs/dbraw/zinc/59/82/92/685598292.db2.gz IGZCSWGPTVGMLK-CQSZACIVSA-N 0 1 310.394 0.836 50 0 DCAAMN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(CC(N)=O)C1)C1CC1 ZINC000952965888 685598747 /nfs/dbraw/zinc/59/87/47/685598747.db2.gz UOJTTZAUGQPGQS-OCCSQVGLSA-N 0 1 319.409 0.185 50 0 DCAAMN CCN1CCN(CC(=O)N(CCO)Cc2ccccc2C)CC1 ZINC000952972160 685599933 /nfs/dbraw/zinc/59/99/33/685599933.db2.gz FNHIYRJYQNDDCB-UHFFFAOYSA-N 0 1 319.449 0.953 50 0 DCAAMN CCn1nc(C(C)C)cc1C(=O)N1CC[N@H+](C)[C@@H](C(=O)[O-])C1 ZINC000067676165 685069319 /nfs/dbraw/zinc/06/93/19/685069319.db2.gz PNSHXWUOQHEYMW-CYBMUJFWSA-N 0 1 308.382 0.867 50 0 DCAAMN CCn1nc(C(C)C)cc1C(=O)N1CC[N@@H+](C)[C@@H](C(=O)[O-])C1 ZINC000067676165 685069329 /nfs/dbraw/zinc/06/93/29/685069329.db2.gz PNSHXWUOQHEYMW-CYBMUJFWSA-N 0 1 308.382 0.867 50 0 DCAAMN Cc1ncoc1C(=O)N[C@H]1CN(C(CO)CO)C[C@@H]1C(C)C ZINC000091656682 685105602 /nfs/dbraw/zinc/10/56/02/685105602.db2.gz PFYXXOPKGGKSCP-OLZOCXBDSA-N 0 1 311.382 0.022 50 0 DCAAMN Cc1ccncc1C(=O)N1CCCN(CCn2cnnc2)CC1 ZINC001704280622 1179959132 /nfs/dbraw/zinc/95/91/32/1179959132.db2.gz ZJPTXYBXXYZQGJ-UHFFFAOYSA-N 0 1 314.393 0.830 50 0 DCAAMN O=C([O-])C[N@H+]1C[C@@H]2COC[C@H](C1)N(Cc1cccc(O)c1)C2 ZINC001704311478 1179968944 /nfs/dbraw/zinc/96/89/44/1179968944.db2.gz LJHZQIFRZQOHIW-KBPBESRZSA-N 0 1 306.362 0.609 50 0 DCAAMN CN1C[C@@H]2COC[C@H](C1)N(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC001704309208 1179968972 /nfs/dbraw/zinc/96/89/72/1179968972.db2.gz KOXXNLTUCYURIH-GJZGRUSLSA-N 0 1 324.446 0.853 50 0 DCAAMN CCc1cc(CN2C[C@H]3COC[C@@H]2C[N@@H+](CC(=O)[O-])C3)on1 ZINC001704310522 1179969873 /nfs/dbraw/zinc/96/98/73/1179969873.db2.gz ZLPQABYUAYDPQY-AAEUAGOBSA-N 0 1 309.366 0.454 50 0 DCAAMN Cc1nnc([C@H]2CCN(CCCO)CCN2C(=O)C(C)C)[nH]1 ZINC000675014672 748026616 /nfs/dbraw/zinc/02/66/16/748026616.db2.gz YKXIJEAHSUOLQQ-CYBMUJFWSA-N 0 1 309.414 0.727 50 0 DCAAMN COCCN1C[C@@H](C(=O)N2CCN(CC3CCC3)CC2)CC1=O ZINC000824411959 758773060 /nfs/dbraw/zinc/77/30/60/758773060.db2.gz PKGWFGMUWJHJIW-HNNXBMFYSA-N 0 1 323.437 0.426 50 0 DCAAMN C[C@H](NC(=O)[C@H]1CCCN(CC(N)=O)C1)c1ccc(O)cc1 ZINC000952874090 768936926 /nfs/dbraw/zinc/93/69/26/768936926.db2.gz URZDJKJLFSHFHA-AAEUAGOBSA-N 0 1 305.378 0.767 50 0 DCAAMN COCCN(C)C(=O)NCCc1nc(-c2cccnc2)n[nH]1 ZINC000426651363 536764055 /nfs/dbraw/zinc/76/40/55/536764055.db2.gz PMGXRWMBACHGRE-UHFFFAOYSA-N 0 1 304.354 0.697 50 0 DCAAMN COc1ccnc(N2CCC(C(=O)NCc3c[nH]nn3)CC2)n1 ZINC000097011659 185396849 /nfs/dbraw/zinc/39/68/49/185396849.db2.gz VLVVOMMWIPMZCH-UHFFFAOYSA-N 0 1 317.353 0.136 50 0 DCAAMN COC(CN1CCN(C(=O)[C@H](N)c2ccccc2)CC1)OC ZINC000071747263 191020452 /nfs/dbraw/zinc/02/04/52/191020452.db2.gz KTCZDXUHLUTBDR-OAHLLOKOSA-N 0 1 307.394 0.450 50 0 DCAAMN CCn1cnnc1CCn1ccnc1-c1cc2n(n1)CCNC2 ZINC000072420262 191156547 /nfs/dbraw/zinc/15/65/47/191156547.db2.gz ALYDPAFAARYWMP-UHFFFAOYSA-N 0 1 312.381 0.704 50 0 DCAAMN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CNCCO1)CC2 ZINC000072429801 191163508 /nfs/dbraw/zinc/16/35/08/191163508.db2.gz VLPZXLQJNCUSKA-HNNXBMFYSA-N 0 1 306.362 0.577 50 0 DCAAMN O=S1(=O)C[C@H]2[C@@H](C1)N(CC1CC1)CCN2Cc1cnc[nH]1 ZINC000072453833 191171779 /nfs/dbraw/zinc/17/17/79/191171779.db2.gz AQKXSGMSNCPFGM-KGLIPLIRSA-N 0 1 310.423 0.103 50 0 DCAAMN NC(=O)CCN1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000072469048 191175237 /nfs/dbraw/zinc/17/52/37/191175237.db2.gz XRHJDSWGJIYJPR-AWEZNQCLSA-N 0 1 309.385 0.570 50 0 DCAAMN C[C@@H](c1ccccc1)n1c2c([nH]c1=NN)n(C)c(=O)n(C)c2=O ZINC000000193564 180721090 /nfs/dbraw/zinc/72/10/90/180721090.db2.gz XSWGXXOGWQRSGR-VIFPVBQESA-N 0 1 314.349 0.329 50 0 biogenic DCAAMN Cn1nc2c(cc1=O)CN(C(=O)c1[nH]nc3ccccc31)CC2 ZINC000174433291 198334523 /nfs/dbraw/zinc/33/45/23/198334523.db2.gz XQEXQUQLCQUIPU-UHFFFAOYSA-N 0 1 309.329 0.855 50 0 DCAAMN CN(C(=O)[C@H]1CNCCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000187772055 200155412 /nfs/dbraw/zinc/15/54/12/200155412.db2.gz RJGMXSSXFYCBKW-ZIAGYGMSSA-N 0 1 321.352 0.378 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)CCN1 ZINC000237660553 202322271 /nfs/dbraw/zinc/32/22/71/202322271.db2.gz XMYXVBRTBOFUTR-GFCCVEGCSA-N 0 1 301.346 0.924 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1 ZINC000188409949 200241566 /nfs/dbraw/zinc/24/15/66/200241566.db2.gz YPQUCTKXBZNCQY-ZLDLUXBVSA-N 0 1 319.409 0.150 50 0 DCAAMN CN(C)CC[C@@H](NC(=O)N1CC(S(C)(=O)=O)C1)C(C)(C)C ZINC000408523576 239273942 /nfs/dbraw/zinc/27/39/42/239273942.db2.gz LKQDQFMDECWVKB-GFCCVEGCSA-N 0 1 319.471 0.791 50 0 DCAAMN CCc1nc(C)sc1CNC(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000091562968 193073228 /nfs/dbraw/zinc/07/32/28/193073228.db2.gz UJRWROFEDAUCMC-LLVKDONJSA-N 0 1 324.450 0.827 50 0 DCAAMN COCC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000091595836 193077681 /nfs/dbraw/zinc/07/76/81/193077681.db2.gz YIWBWZLLSVFMJF-HNNXBMFYSA-N 0 1 314.382 0.049 50 0 DCAAMN C[N@H+]1C[C@@H]2CN(C(=O)CCc3ccncc3)C[C@]2(C(=O)[O-])C1 ZINC000091636468 193083177 /nfs/dbraw/zinc/08/31/77/193083177.db2.gz WUTVHYWOUKXTPN-CZUORRHYSA-N 0 1 303.362 0.489 50 0 DCAAMN CCCN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cn(C)cn1)C2 ZINC000092081039 193155474 /nfs/dbraw/zinc/15/54/74/193155474.db2.gz QYQAJFYTOXZZSL-CHWSQXEVSA-N 0 1 312.439 0.915 50 0 DCAAMN Cc1ccc(SCCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000023624167 182364324 /nfs/dbraw/zinc/36/43/24/182364324.db2.gz PRJIALPVMFQWQR-QWHCGFSZSA-N 0 1 301.433 0.835 50 0 DCAAMN Cc1ccc(N2C(=O)C[C@@H](NCCN3CCOCC3)C2=O)cc1 ZINC000101213964 193809092 /nfs/dbraw/zinc/80/90/92/193809092.db2.gz AMXKTDSFPDZZNW-OAHLLOKOSA-N 0 1 317.389 0.549 50 0 DCAAMN O=C(NC1CC1)[C@@H]1CCCN(c2nc3[nH]cnc(=O)c3s2)C1 ZINC000040478776 183076050 /nfs/dbraw/zinc/07/60/50/183076050.db2.gz KOUCXUPRKJMTOJ-MRVPVSSYSA-N 0 1 319.390 0.875 50 0 DCAAMN C[C@H](CNS(=O)(=O)c1c(F)cccc1F)N1CCOCC1 ZINC000040510306 183086326 /nfs/dbraw/zinc/08/63/26/183086326.db2.gz DLJFYSOGMSBFLO-SNVBAGLBSA-N 0 1 320.361 0.964 50 0 DCAAMN COCCN1CCCN(C(=O)N[C@@H](C)Cn2cccn2)CC1 ZINC000065440696 184345690 /nfs/dbraw/zinc/34/56/90/184345690.db2.gz NLLXVXNWRBRYIL-AWEZNQCLSA-N 0 1 309.414 0.635 50 0 DCAAMN COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCN[C@@H](C)C2)c1 ZINC000237250870 257239300 /nfs/dbraw/zinc/23/93/00/257239300.db2.gz DAHAQXJKTTXPDE-LRDDRELGSA-N 0 1 319.405 0.563 50 0 DCAAMN CC(C)CN1C[C@@H](C(=O)NCCCc2nn[nH]n2)CCC1=O ZINC000426678121 257244165 /nfs/dbraw/zinc/24/41/65/257244165.db2.gz PLNXYUCPZCEYGJ-NSHDSACASA-N 0 1 308.386 0.143 50 0 DCAAMN C[C@H](C(=O)NCCc1c[nH]nn1)n1c(=O)oc2ccccc21 ZINC000426523746 257247649 /nfs/dbraw/zinc/24/76/49/257247649.db2.gz WVKWAYRMIAOJFK-SECBINFHSA-N 0 1 301.306 0.633 50 0 DCAAMN C[C@H](C(=O)NCCc1cnn[nH]1)n1c(=O)oc2ccccc21 ZINC000426523746 257247651 /nfs/dbraw/zinc/24/76/51/257247651.db2.gz WVKWAYRMIAOJFK-SECBINFHSA-N 0 1 301.306 0.633 50 0 DCAAMN CCc1nc(CN2CCC[C@@H](c3ccn(CCO)n3)C2)n[nH]1 ZINC000426423145 257251085 /nfs/dbraw/zinc/25/10/85/257251085.db2.gz XALNJRYUDCZTCH-GFCCVEGCSA-N 0 1 304.398 0.936 50 0 DCAAMN c1cn([C@@H]2COC[C@@H]2NCc2ccc3c(c2)OCCO3)nn1 ZINC000284821646 131114192 /nfs/dbraw/zinc/11/41/92/131114192.db2.gz OEFISPNVUHCCDG-QWHCGFSZSA-N 0 1 302.334 0.779 50 0 DCAAMN CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@](O)(C(N)=O)C1 ZINC000285239522 131150188 /nfs/dbraw/zinc/15/01/88/131150188.db2.gz YPBNJFJCRPSWGE-MRXNPFEDSA-N 0 1 323.368 0.096 50 0 DCAAMN O=C(NCCO)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000013569306 395688694 /nfs/dbraw/zinc/68/86/94/395688694.db2.gz GUSADNYVDLDLDM-QMMMGPOBSA-N 0 1 324.772 0.331 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)CCn3ccnc3)CCO2)n[nH]1 ZINC000089289748 395710053 /nfs/dbraw/zinc/71/00/53/395710053.db2.gz FDKJWHRXYSLXCL-NSHDSACASA-N 0 1 304.354 0.554 50 0 DCAAMN CN1N=C(C(=O)NCCN2CCc3ccccc3C2)CCC1=O ZINC000032355269 395710253 /nfs/dbraw/zinc/71/02/53/395710253.db2.gz HRAVGKGUYOAASF-UHFFFAOYSA-N 0 1 314.389 0.769 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(C(=O)c3cnns3)CCO2)n1 ZINC000089893539 395715848 /nfs/dbraw/zinc/71/58/48/395715848.db2.gz AGYDXCRNGFAWAZ-MRVPVSSYSA-N 0 1 308.367 0.993 50 0 DCAAMN CC(C)c1nc([C@H]2CN(C(=O)c3cnns3)CCO2)n[nH]1 ZINC000089893539 395715851 /nfs/dbraw/zinc/71/58/51/395715851.db2.gz AGYDXCRNGFAWAZ-MRVPVSSYSA-N 0 1 308.367 0.993 50 0 DCAAMN COc1ccccc1OCCNC(=O)CN1CCN(C)C[C@@H]1C ZINC000089939036 395716886 /nfs/dbraw/zinc/71/68/86/395716886.db2.gz ICXHBISOZXPVLL-AWEZNQCLSA-N 0 1 321.421 0.826 50 0 DCAAMN CC[C@@H](CO)NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000089943594 395717607 /nfs/dbraw/zinc/71/76/07/395717607.db2.gz UPBNGEYCRWBXKP-AWEZNQCLSA-N 0 1 321.425 0.404 50 0 DCAAMN O=C(CN1CCC[C@@H](O)C1)N1CCN(c2ccccc2F)CC1 ZINC000039519503 395732967 /nfs/dbraw/zinc/73/29/67/395732967.db2.gz LANMZQQYYGPDRD-CQSZACIVSA-N 0 1 321.396 0.931 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)[C@H](C)n3cccn3)CCO2)n[nH]1 ZINC000095402171 395740377 /nfs/dbraw/zinc/74/03/77/395740377.db2.gz GHAGGBGHASTIDS-WDEREUQCSA-N 0 1 304.354 0.725 50 0 DCAAMN CN1CCC(O)(CNS(=O)(=O)CC2CCCCC2)CC1 ZINC000096419794 395753466 /nfs/dbraw/zinc/75/34/66/395753466.db2.gz ZJMHWVMOUPIQTQ-UHFFFAOYSA-N 0 1 304.456 0.943 50 0 DCAAMN Cn1cc(N2CC[C@@H](N[C@H](CO)c3ccccc3)C2=O)cn1 ZINC000097081908 395755275 /nfs/dbraw/zinc/75/52/75/395755275.db2.gz MUKGMNKPBMBGKP-HUUCEWRRSA-N 0 1 300.362 0.849 50 0 DCAAMN Cc1nn(C)c(C)c1CCNc1c(=O)c(=O)c1NCCN(C)C ZINC000101697879 395766526 /nfs/dbraw/zinc/76/65/26/395766526.db2.gz LYJJHOPJJDMTQK-UHFFFAOYSA-N 0 1 319.409 0.261 50 0 DCAAMN CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000195554280 395831648 /nfs/dbraw/zinc/83/16/48/395831648.db2.gz GWIOMXVYEIEQQS-XHSDSOJGSA-N 0 1 310.486 0.988 50 0 DCAAMN Nc1nc(NCCCN2CCOCC2)cc(C2CC(O)C2)n1 ZINC000219277696 395844703 /nfs/dbraw/zinc/84/47/03/395844703.db2.gz VVQLPMDLJCQTQO-UHFFFAOYSA-N 0 1 307.398 0.431 50 0 DCAAMN CN(C)C[C@H](O)c1cc2n(n1)CCN(Cc1ccc(CO)o1)C2 ZINC000219914201 395846948 /nfs/dbraw/zinc/84/69/48/395846948.db2.gz OTXBBSPHYNOBRS-INIZCTEOSA-N 0 1 320.393 0.579 50 0 DCAAMN O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1cnn[nH]1 ZINC000223104820 395854075 /nfs/dbraw/zinc/85/40/75/395854075.db2.gz GKDIZNHXLJRKRO-CHWSQXEVSA-N 0 1 303.322 0.304 50 0 DCAAMN O=C(CN1CCOC1=O)NC1CCN(Cc2ccncc2)CC1 ZINC000223610025 395855726 /nfs/dbraw/zinc/85/57/26/395855726.db2.gz OYKNCCOBYGWHOH-UHFFFAOYSA-N 0 1 318.377 0.614 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000124531556 395900999 /nfs/dbraw/zinc/90/09/99/395900999.db2.gz ZZEWECCMIWLIEN-RPTYSRGTSA-N 0 1 303.362 0.384 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000125240877 395902195 /nfs/dbraw/zinc/90/21/95/395902195.db2.gz CGCDFKWSPWXSIW-GFCCVEGCSA-N 0 1 300.362 0.607 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)NCc2cccc3[nH]ccc32)C1 ZINC000055282808 395915633 /nfs/dbraw/zinc/91/56/33/395915633.db2.gz XETVMZBYBCBUPQ-CYBMUJFWSA-N 0 1 314.389 0.981 50 0 DCAAMN CCc1nc(SCC(=O)NCc2cc(COC)n[nH]2)n[nH]1 ZINC000055393090 395918625 /nfs/dbraw/zinc/91/86/25/395918625.db2.gz UKGQRBCKIUCOHH-UHFFFAOYSA-N 0 1 310.383 0.645 50 0 DCAAMN CCc1n[nH]c(SCC(=O)NCc2cc(COC)n[nH]2)n1 ZINC000055393090 395918628 /nfs/dbraw/zinc/91/86/28/395918628.db2.gz UKGQRBCKIUCOHH-UHFFFAOYSA-N 0 1 310.383 0.645 50 0 DCAAMN COc1ccc([C@H](NC(=O)c2ncn[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244787813 395925532 /nfs/dbraw/zinc/92/55/32/395925532.db2.gz QECVPSHTDWJNPS-UMNHJUIQSA-N 0 1 303.322 0.450 50 0 DCAAMN COc1ccc([C@H](NC(=O)c2nc[nH]n2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244787813 395925534 /nfs/dbraw/zinc/92/55/34/395925534.db2.gz QECVPSHTDWJNPS-UMNHJUIQSA-N 0 1 303.322 0.450 50 0 DCAAMN Cc1cc(C)n(CCC(=O)N2CCN(Cc3nnc[nH]3)CC2)n1 ZINC000244874934 395925882 /nfs/dbraw/zinc/92/58/82/395925882.db2.gz XJVNOHRIJCVJFO-UHFFFAOYSA-N 0 1 317.397 0.353 50 0 DCAAMN CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2cccn2C)CC1 ZINC000257173983 396034071 /nfs/dbraw/zinc/03/40/71/396034071.db2.gz AYKFVZZZNBHYGA-CVEARBPZSA-N 0 1 320.437 0.171 50 0 DCAAMN O=S1(=O)CC[C@H](NCCNc2nccc(C(F)(F)F)n2)C1 ZINC000069739485 396088202 /nfs/dbraw/zinc/08/82/02/396088202.db2.gz RPXQUNGVWTUJMF-QMMMGPOBSA-N 0 1 324.328 0.684 50 0 DCAAMN c1nnc2ccc(N3CCN(CCc4ccncc4)CC3)nn12 ZINC000069817105 396091082 /nfs/dbraw/zinc/09/10/82/396091082.db2.gz FSCHTISCWSLSKI-UHFFFAOYSA-N 0 1 309.377 0.884 50 0 DCAAMN CC(C)(O)CN1CCN(C(=O)CCCNc2ncccn2)CC1 ZINC000069902417 396094706 /nfs/dbraw/zinc/09/47/06/396094706.db2.gz HGDAYIQDPCRBDI-UHFFFAOYSA-N 0 1 321.425 0.584 50 0 DCAAMN CN(C)S(=O)(=O)CCCN1CCC[C@H]1c1cnn(C)c1 ZINC000071799281 396115478 /nfs/dbraw/zinc/11/54/78/396115478.db2.gz CANZCRXMVDPRNF-ZDUSSCGKSA-N 0 1 300.428 0.839 50 0 DCAAMN C[C@H](O)CN1CCN(C[C@H](O)COCc2cccs2)CC1 ZINC000071877164 396121389 /nfs/dbraw/zinc/12/13/89/396121389.db2.gz OERKKAULKQRDJC-KBPBESRZSA-N 0 1 314.451 0.624 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@H]1N(C)C ZINC000076051580 396194104 /nfs/dbraw/zinc/19/41/04/396194104.db2.gz CKVKLNVMZDNPPO-ZYHUDNBSSA-N 0 1 314.407 0.846 50 0 DCAAMN CCc1noc([C@H](C)N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)n1 ZINC000076057169 396195132 /nfs/dbraw/zinc/19/51/32/396195132.db2.gz DMSIATKIKNVOSM-GARJFASQSA-N 0 1 316.427 0.953 50 0 DCAAMN CC(C)c1nc(CN(C)[C@@H]2CCN(CCn3cncn3)C2)no1 ZINC000078891737 396256011 /nfs/dbraw/zinc/25/60/11/396256011.db2.gz DNHUMBRFAMYQTI-CYBMUJFWSA-N 0 1 319.413 0.991 50 0 DCAAMN O=C(c1ncccc1[O-])N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077287351 396217318 /nfs/dbraw/zinc/21/73/18/396217318.db2.gz NQFHXNNIFXWDNH-AWEZNQCLSA-N 0 1 316.405 0.639 50 0 DCAAMN Cn1nc(C(=O)NCc2n[nH]c3c2CCCCC3)ccc1=O ZINC000584885928 396632541 /nfs/dbraw/zinc/63/25/41/396632541.db2.gz RVNRVPFVSJOSNI-UHFFFAOYSA-N 0 1 301.350 0.702 50 0 DCAAMN CCc1nc([C@H]2CN(CC(=O)NC[C@H]3CCCO3)CCO2)n[nH]1 ZINC000299754271 396714449 /nfs/dbraw/zinc/71/44/49/396714449.db2.gz XBSPJVDFWVMMQH-VXGBXAGGSA-N 0 1 323.397 0.036 50 0 DCAAMN CN1N=C(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)CCC1=O ZINC000044911281 415233063 /nfs/dbraw/zinc/23/30/63/415233063.db2.gz PRIWVUKZDBEHBM-CYBMUJFWSA-N 0 1 322.409 0.308 50 0 DCAAMN COc1ccc(NC(=O)CN(C)c2ncnc3[nH]cnc32)cn1 ZINC000045978380 415254918 /nfs/dbraw/zinc/25/49/18/415254918.db2.gz MZBIFOQRNVQLOT-UHFFFAOYSA-N 0 1 313.321 0.831 50 0 DCAAMN CCn1c(CC2CCN(C(=O)c3cc(C)[nH]n3)CC2)n[nH]c1=O ZINC000071422212 415407696 /nfs/dbraw/zinc/40/76/96/415407696.db2.gz GYJUSYQEVJEEJY-UHFFFAOYSA-N 0 1 318.381 0.718 50 0 DCAAMN C[N@@H+]1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1C(=O)[O-] ZINC000067674349 415380887 /nfs/dbraw/zinc/38/08/87/415380887.db2.gz ZUCACOVUQZDURE-ZETCQYMHSA-N 0 1 306.244 0.269 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1C(=O)[O-] ZINC000067674349 415380893 /nfs/dbraw/zinc/38/08/93/415380893.db2.gz ZUCACOVUQZDURE-ZETCQYMHSA-N 0 1 306.244 0.269 50 0 DCAAMN CCc1cn[nH]c1C1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1 ZINC000067868547 415389794 /nfs/dbraw/zinc/38/97/94/415389794.db2.gz DNUCGEYLCNFCOU-UHFFFAOYSA-N 0 1 317.349 0.781 50 0 DCAAMN CC(=O)NCC[C@H]1CCCCN1C(=O)CCc1nc(C)n[nH]1 ZINC000082096230 415488864 /nfs/dbraw/zinc/48/88/64/415488864.db2.gz BHRWKYFOEVLKOF-CYBMUJFWSA-N 0 1 307.398 0.953 50 0 DCAAMN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H]1Cn1cncn1 ZINC000075132980 415437275 /nfs/dbraw/zinc/43/72/75/415437275.db2.gz YNYBKVLBNFJRLR-MCIONIFRSA-N 0 1 307.398 0.426 50 0 DCAAMN CCc1ncc(C(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cn1 ZINC000095357035 415551931 /nfs/dbraw/zinc/55/19/31/415551931.db2.gz IMNUQDVHPSSRSY-HNNXBMFYSA-N 0 1 318.421 0.958 50 0 DCAAMN O=C(CCN1CCN(Cc2ccncc2)CC1)N1CCOCC1 ZINC000095977223 415568712 /nfs/dbraw/zinc/56/87/12/415568712.db2.gz ISUPZPYIQJHOBR-UHFFFAOYSA-N 0 1 318.421 0.448 50 0 DCAAMN C[C@@H]1CCCN(CCNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000106074585 415641933 /nfs/dbraw/zinc/64/19/33/415641933.db2.gz FMCSATAFCSYAIG-MGPQQGTHSA-N 0 1 319.471 0.662 50 0 DCAAMN O=C(C[C@H]1CCc2ccccc21)NCC(=O)N1CCNCC1 ZINC000097172852 415587343 /nfs/dbraw/zinc/58/73/43/415587343.db2.gz GJQZEIBYCNRTIE-CQSZACIVSA-N 0 1 301.390 0.655 50 0 DCAAMN CN(CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119921974 415752069 /nfs/dbraw/zinc/75/20/69/415752069.db2.gz JPNYSYGHSKQWEQ-MXYBEHONSA-N 0 1 323.437 0.517 50 0 DCAAMN Cc1ccccc1[C@H](CC(=O)N1CCNC[C@H]1C)NC(N)=O ZINC000125335720 415865489 /nfs/dbraw/zinc/86/54/89/415865489.db2.gz GYOKDGACAWQNIW-OCCSQVGLSA-N 0 1 304.394 0.915 50 0 DCAAMN COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CCNCC2 ZINC000299789841 416069115 /nfs/dbraw/zinc/06/91/15/416069115.db2.gz GUQLXLDPNLLVPU-UHFFFAOYSA-N 0 1 317.345 0.526 50 0 DCAAMN CCn1ncnc1CN1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000215658033 416327282 /nfs/dbraw/zinc/32/72/82/416327282.db2.gz BPSYIQBLWPFFNM-UHFFFAOYSA-N 0 1 313.369 0.287 50 0 DCAAMN Cn1nncc1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000241590463 416330010 /nfs/dbraw/zinc/33/00/10/416330010.db2.gz PFCRWZDAWMUCET-ZIAGYGMSSA-N 0 1 315.377 0.180 50 0 DCAAMN Cc1ccc(C2(O)CCN(CCn3cc[nH]c3=O)CC2)nc1 ZINC000244633457 416330525 /nfs/dbraw/zinc/33/05/25/416330525.db2.gz GDJACMITTPYGJI-UHFFFAOYSA-N 0 1 302.378 0.863 50 0 DCAAMN CCCc1cc(C(=O)N2CCC(c3nn[nH]n3)CC2)n(C)n1 ZINC000244691648 416330970 /nfs/dbraw/zinc/33/09/70/416330970.db2.gz JGPKFLVHAFYTLZ-UHFFFAOYSA-N 0 1 303.370 0.906 50 0 DCAAMN Cc1cc(C[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n[nH]1 ZINC000585114766 416517265 /nfs/dbraw/zinc/51/72/65/416517265.db2.gz XVPHUCPKQCAQBX-VIFPVBQESA-N 0 1 311.411 0.978 50 0 DCAAMN CC(=O)N1CC[C@@](N)(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000643779445 417355698 /nfs/dbraw/zinc/35/56/98/417355698.db2.gz BPQJJXJUICEUDC-INIZCTEOSA-N 0 1 302.378 0.849 50 0 DCAAMN CN1CC[C@@H](C(=O)Nc2ncc(C(F)(F)F)[nH]2)S1(=O)=O ZINC000649214234 418211077 /nfs/dbraw/zinc/21/10/77/418211077.db2.gz PZWMRBUFJRYUQI-YFKPBYRVSA-N 0 1 312.273 0.401 50 0 DCAAMN CN1CCN(CC2(CNC(=O)CCCc3cn[nH]c3)CC2)CC1 ZINC000534661744 334322024 /nfs/dbraw/zinc/32/20/24/334322024.db2.gz PQIFXYXRKQFVIQ-UHFFFAOYSA-N 0 1 319.453 0.876 50 0 DCAAMN CNS(=O)(=O)c1cc(C(=O)N2CCN[C@@H](C)C2)ccc1F ZINC000237345384 522259968 /nfs/dbraw/zinc/25/99/68/522259968.db2.gz LCQIEQGFSAJMTI-VIFPVBQESA-N 0 1 315.370 0.168 50 0 DCAAMN Cc1cccc([C@H](CC(=O)N2CCN[C@@H](C)C2)NC(N)=O)c1 ZINC000299739381 534761848 /nfs/dbraw/zinc/76/18/48/534761848.db2.gz NUANDCLARUHJSG-JSGCOSHPSA-N 0 1 304.394 0.915 50 0 DCAAMN Cc1ccccc1[C@H](CC(=O)N1CCNC[C@@H]1C)NC(N)=O ZINC000126430267 525421540 /nfs/dbraw/zinc/42/15/40/525421540.db2.gz GYOKDGACAWQNIW-JSGCOSHPSA-N 0 1 304.394 0.915 50 0 DCAAMN COCCN(C)C(=O)NCCc1n[nH]c(-c2cccnc2)n1 ZINC000426651363 536764059 /nfs/dbraw/zinc/76/40/59/536764059.db2.gz PMGXRWMBACHGRE-UHFFFAOYSA-N 0 1 304.354 0.697 50 0 DCAAMN O=C(CCCn1cncn1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000084618653 545702127 /nfs/dbraw/zinc/70/21/27/545702127.db2.gz AXVGLTPNHJIJKU-KBPBESRZSA-N 0 1 307.398 0.116 50 0 DCAAMN COc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c(OC)n1 ZINC000218822171 545940234 /nfs/dbraw/zinc/94/02/34/545940234.db2.gz JUCGUFPTEZNOQU-GJQVQUKXSA-N 0 1 321.377 0.546 50 0 DCAAMN C[C@@H](C(=O)NCCN1CCC(O)CC1)n1cc(Cl)cn1 ZINC000222736615 545942684 /nfs/dbraw/zinc/94/26/84/545942684.db2.gz XRLILPOFFIMJTC-JTQLQIEISA-N 0 1 300.790 0.670 50 0 DCAAMN CN(C)c1nc2c(c(N3CCN(C)[C@H](CCO)C3)n1)CCCC2 ZINC000670442948 547091975 /nfs/dbraw/zinc/09/19/75/547091975.db2.gz JTCWJFUEVNVYFI-CYBMUJFWSA-N 0 1 319.453 0.924 50 0 DCAAMN CCc1nc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)n[nH]1 ZINC000670453212 547096152 /nfs/dbraw/zinc/09/61/52/547096152.db2.gz PNJSRDSAWGWEEB-UHFFFAOYSA-N 0 1 306.370 0.226 50 0 DCAAMN COc1nc(N2CCN(CC3CC3)[C@H](CCO)C2)ncc1F ZINC000670460178 547099093 /nfs/dbraw/zinc/09/90/93/547099093.db2.gz XBPKTJKULMHZKV-GFCCVEGCSA-N 0 1 310.373 0.907 50 0 DCAAMN O[C@H]1CN(Cc2ccc3nonc3c2)C[C@@H]1N1CCOCC1 ZINC000020538206 659681036 /nfs/dbraw/zinc/68/10/36/659681036.db2.gz CMEIJCZOAXPDKB-GJZGRUSLSA-N 0 1 304.350 0.100 50 0 DCAAMN C[C@@H](Cc1ccsc1)NC(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000952966496 685599099 /nfs/dbraw/zinc/59/90/99/685599099.db2.gz KAUMLQQYSZSSOA-WCQYABFASA-N 0 1 309.435 0.993 50 0 DCAAMN C[C@H](Cc1ccsc1)NC(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000952966494 685599224 /nfs/dbraw/zinc/59/92/24/685599224.db2.gz KAUMLQQYSZSSOA-DGCLKSJQSA-N 0 1 309.435 0.993 50 0 DCAAMN Cc1cccc([C@@H](C)NC(=O)[C@H]2CCCN(CC(N)=O)C2)n1 ZINC000952984899 685601897 /nfs/dbraw/zinc/60/18/97/685601897.db2.gz YHJWRNUNPMRWOD-OLZOCXBDSA-N 0 1 304.394 0.765 50 0 DCAAMN Cc1[nH+]c(N)nc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)c1Cl ZINC001772712763 1157849633 /nfs/dbraw/zinc/84/96/33/1157849633.db2.gz PUINSAINARIHKI-OQPBUACISA-N 0 1 312.757 0.948 50 0 DCAAMN COCc1noc(CN2C[C@H](O)[C@H](Cc3cc(C)n[nH]3)C2)n1 ZINC001704299489 1179965029 /nfs/dbraw/zinc/96/50/29/1179965029.db2.gz QNWWDPFZJGLBJV-PWSUYJOCSA-N 0 1 307.354 0.283 50 0 DCAAMN C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)c3ncccc3[O-])C[C@@H]12 ZINC001704316468 1179970825 /nfs/dbraw/zinc/97/08/25/1179970825.db2.gz QRXJHSWRZIOUCS-CZUORRHYSA-N 0 1 305.378 0.706 50 0 DCAAMN C[N@H+]1CCC[C@]2(CO)CCN(C(=O)c3ncccc3[O-])C[C@@H]12 ZINC001704316468 1179970828 /nfs/dbraw/zinc/97/08/28/1179970828.db2.gz QRXJHSWRZIOUCS-CZUORRHYSA-N 0 1 305.378 0.706 50 0 DCAAMN CCCn1nccc1S(=O)(=O)NC[C@]1(C)CC[N@@H+](C)C1 ZINC000823032920 758219383 /nfs/dbraw/zinc/21/93/83/758219383.db2.gz FFHPECGROOVBHH-ZDUSSCGKSA-N 0 1 300.428 0.913 50 0 DCAAMN NC(=O)Cc1nnc([C@H]2CCCC[C@H]2C(=O)N2CCCC2)[nH]1 ZINC000826842480 758845168 /nfs/dbraw/zinc/84/51/68/758845168.db2.gz VWDJEWVTNKOJJN-WDEREUQCSA-N 0 1 305.382 0.729 50 0 DCAAMN NC(=O)Cc1nc([C@H]2CCCC[C@H]2C(=O)N2CCCC2)n[nH]1 ZINC000826842480 758845174 /nfs/dbraw/zinc/84/51/74/758845174.db2.gz VWDJEWVTNKOJJN-WDEREUQCSA-N 0 1 305.382 0.729 50 0 DCAAMN Cc1ccc(CN2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)cc1 ZINC001529188834 1014517527 /nfs/dbraw/zinc/51/75/27/1014517527.db2.gz DRSZHDPGAUJLCX-LSDHHAIUSA-N 0 1 312.435 0.679 50 0 DCAAMN COCC[N@H+]1CCC[C@@H](CN(C)c2nccnc2C(=O)[O-])C1 ZINC001506430015 1017271606 /nfs/dbraw/zinc/27/16/06/1017271606.db2.gz WTMJCXKLSTWORD-LBPRGKRZSA-N 0 1 308.382 0.969 50 0 DCAAMN O=S(=O)(Cc1ccc(F)cc1)NCc1cc2n(n1)CCNC2 ZINC000082160432 185173992 /nfs/dbraw/zinc/17/39/92/185173992.db2.gz SAHWZOWMEIIQJP-UHFFFAOYSA-N 0 1 324.381 0.745 50 0 DCAAMN CCOCCN1CCN(CCOCC)[C@@H](C(=O)N(C)C)C1 ZINC000229879743 201854175 /nfs/dbraw/zinc/85/41/75/201854175.db2.gz ARYOECCRJHDXEB-CQSZACIVSA-N 0 1 301.431 0.134 50 0 DCAAMN Cc1n[nH]c(CCC(=O)N2CCC(N3CCCC3=O)CC2)n1 ZINC000071738685 191019629 /nfs/dbraw/zinc/01/96/29/191019629.db2.gz SMELTIFBHCWQEK-UHFFFAOYSA-N 0 1 305.382 0.659 50 0 DCAAMN c1nncn1CCNc1nc(-c2cccnc2)nc2c1CNC2 ZINC000072145986 191053231 /nfs/dbraw/zinc/05/32/31/191053231.db2.gz HEHIAMBEVOKRSZ-UHFFFAOYSA-N 0 1 308.349 0.845 50 0 DCAAMN CC[N@@H+]1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000236900536 202061465 /nfs/dbraw/zinc/06/14/65/202061465.db2.gz ZVOPNXASDGERML-KGLIPLIRSA-N 0 1 306.362 0.519 50 0 DCAAMN CC[N@H+]1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000236900536 202061467 /nfs/dbraw/zinc/06/14/67/202061467.db2.gz ZVOPNXASDGERML-KGLIPLIRSA-N 0 1 306.362 0.519 50 0 DCAAMN O=C(NCCc1cnc[nH]1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000091754787 193102608 /nfs/dbraw/zinc/10/26/08/193102608.db2.gz RJQLYWVTVNCOJT-GFCCVEGCSA-N 0 1 313.361 0.512 50 0 DCAAMN Cc1nnc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000091943059 193130133 /nfs/dbraw/zinc/13/01/33/193130133.db2.gz BSIRUCTUCFNXHB-AWEZNQCLSA-N 0 1 309.439 0.633 50 0 DCAAMN CCCn1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3ccccc32)c1=O ZINC000020567684 284127739 /nfs/dbraw/zinc/12/77/39/284127739.db2.gz YPBRTCKFSSBNMX-CYBMUJFWSA-N 0 1 301.346 0.887 50 0 DCAAMN Cc1nnc(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)s1 ZINC000017951926 182087964 /nfs/dbraw/zinc/08/79/64/182087964.db2.gz TYJGEKQHBVKIAD-UHFFFAOYSA-N 0 1 323.363 0.949 50 0 DCAAMN CC[C@@H]1CN(C(=O)CN(C)c2ncnc3[nH]cnc32)CCO1 ZINC000063734359 184287521 /nfs/dbraw/zinc/28/75/21/184287521.db2.gz BFLNBQHTBHMBQK-SNVBAGLBSA-N 0 1 304.354 0.427 50 0 DCAAMN CC(=O)N1CCCN(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000065585857 184369016 /nfs/dbraw/zinc/36/90/16/184369016.db2.gz HWHIDSLAAWQXJR-UHFFFAOYSA-N 0 1 307.398 0.915 50 0 DCAAMN O=C(CCCn1cnnn1)Nc1nc(-c2cccs2)n[nH]1 ZINC000524733899 257213684 /nfs/dbraw/zinc/21/36/84/257213684.db2.gz AQNGANBGSTVWSK-UHFFFAOYSA-N 0 1 304.339 0.939 50 0 DCAAMN CN1CC[C@H]2OCCN(C(=O)c3ccnn3CC(F)F)[C@H]2C1 ZINC000285645311 131190145 /nfs/dbraw/zinc/19/01/45/131190145.db2.gz 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/nfs/dbraw/zinc/87/63/86/395876386.db2.gz RYNPKSKGADQNJQ-QWHCGFSZSA-N 0 1 307.423 0.911 50 0 DCAAMN CC(=O)N1CCC[N@H+]([C@@H]2CN(Cc3ncc[nH]3)C[C@@H]2C)CC1 ZINC000229922237 395876808 /nfs/dbraw/zinc/87/68/08/395876808.db2.gz DNCHFYDQPFATCK-DZGCQCFKSA-N 0 1 305.426 0.784 50 0 DCAAMN COc1cccc(CNC(=O)CN(C[C@@H](C)O)[C@H](C)CO)c1 ZINC000248862213 395998573 /nfs/dbraw/zinc/99/85/73/395998573.db2.gz AFVUBKBRORSHBT-CHWSQXEVSA-N 0 1 310.394 0.375 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N1CCO[C@H](C)C1 ZINC000247923396 395980123 /nfs/dbraw/zinc/98/01/23/395980123.db2.gz HURKSGFQDCUOKR-FVQBIDKESA-N 0 1 323.437 0.709 50 0 DCAAMN Cc1cc(N2CCN3CCNC(=O)[C@@H]3C2)nc(N2CCCC2)n1 ZINC000065373763 395993253 /nfs/dbraw/zinc/99/32/53/395993253.db2.gz HLDGDWZYOJWUJD-ZDUSSCGKSA-N 0 1 316.409 0.006 50 0 DCAAMN C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H]1Cn1cncn1 ZINC000253377911 396026224 /nfs/dbraw/zinc/02/62/24/396026224.db2.gz YNYBKVLBNFJRLR-RDBSUJKOSA-N 0 1 307.398 0.426 50 0 DCAAMN 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/nfs/dbraw/zinc/92/51/19/395925119.db2.gz SDLMEPRJBHRDMP-HNNXBMFYSA-N 0 1 319.405 0.956 50 0 DCAAMN CCOCCN1CCN(C[C@H](O)CO[C@H](C)COC)CC1 ZINC000225570436 395862183 /nfs/dbraw/zinc/86/21/83/395862183.db2.gz HXBZZXARERGFBX-CABCVRRESA-N 0 1 304.431 0.053 50 0 DCAAMN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CN1CCCC1 ZINC000058196428 395951543 /nfs/dbraw/zinc/95/15/43/395951543.db2.gz UZFSGJNQBIHLLX-CHWSQXEVSA-N 0 1 315.439 0.443 50 0 DCAAMN Cc1nnc([C@@H]2CCC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)[nH]1 ZINC000253536390 396029363 /nfs/dbraw/zinc/02/93/63/396029363.db2.gz DRNUSLZTLNFAFO-GFCCVEGCSA-N 0 1 318.381 0.563 50 0 DCAAMN Cc1n[nH]c([C@@H]2CCC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)n1 ZINC000253536390 396029365 /nfs/dbraw/zinc/02/93/65/396029365.db2.gz DRNUSLZTLNFAFO-GFCCVEGCSA-N 0 1 318.381 0.563 50 0 DCAAMN Cc1n[nH]c([C@@H]2CCC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)n1 ZINC000253536390 396029368 /nfs/dbraw/zinc/02/93/68/396029368.db2.gz DRNUSLZTLNFAFO-GFCCVEGCSA-N 0 1 318.381 0.563 50 0 DCAAMN Cc1nnc(SCCNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)[nH]1 ZINC000067691556 396031094 /nfs/dbraw/zinc/03/10/94/396031094.db2.gz QQDLRHLMUZHPEE-UHFFFAOYSA-N 0 1 318.362 0.805 50 0 DCAAMN Cc1nc2ncccc2cc1C(=O)N1CC[N@@H+](C)[C@H](C(=O)[O-])C1 ZINC000067879409 396038067 /nfs/dbraw/zinc/03/80/67/396038067.db2.gz OIIHIFXNCHYTSC-ZDUSSCGKSA-N 0 1 314.345 0.779 50 0 DCAAMN Cc1nc2ncccc2cc1C(=O)N1CC[N@H+](C)[C@H](C(=O)[O-])C1 ZINC000067879409 396038070 /nfs/dbraw/zinc/03/80/70/396038070.db2.gz OIIHIFXNCHYTSC-ZDUSSCGKSA-N 0 1 314.345 0.779 50 0 DCAAMN Cc1cc(C)n(CCNC(=O)c2ccc3[nH]nnc3c2)c(=O)n1 ZINC000067909051 396038530 /nfs/dbraw/zinc/03/85/30/396038530.db2.gz CBRNLKLCVRVTBW-UHFFFAOYSA-N 0 1 312.333 0.561 50 0 DCAAMN CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000249703434 396011223 /nfs/dbraw/zinc/01/12/23/396011223.db2.gz ZXJQMAQVELKZHL-BFHYXJOUSA-N 0 1 314.451 0.896 50 0 DCAAMN CC[C@@H]1CN(CC(=O)NC2CCOCC2)CCN1CCOC ZINC000069738026 396088906 /nfs/dbraw/zinc/08/89/06/396088906.db2.gz 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/nfs/dbraw/zinc/11/85/73/396118573.db2.gz AQPNWICGBZHVEG-LBPRGKRZSA-N 0 1 320.393 0.001 50 0 DCAAMN CCOc1ccc(C[C@@H](CNC(=O)c2cnn[nH]2)C(N)=O)cc1 ZINC000071841587 396118888 /nfs/dbraw/zinc/11/88/88/396118888.db2.gz CNTWROUEERQUBD-NSHDSACASA-N 0 1 317.349 0.277 50 0 DCAAMN CC[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)CCN1C[C@@H](C)O ZINC000071877548 396121293 /nfs/dbraw/zinc/12/12/93/396121293.db2.gz LLNNGOPJLMHJCG-BXUZGUMPSA-N 0 1 323.441 0.742 50 0 DCAAMN CCN(C)[C@H](C(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000069581287 396083969 /nfs/dbraw/zinc/08/39/69/396083969.db2.gz OPJFROGJMOZCGY-KBPBESRZSA-N 0 1 305.378 0.392 50 0 DCAAMN CC(=O)N[C@](C)(C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)C1CC1 ZINC000076045284 396192667 /nfs/dbraw/zinc/19/26/67/396192667.db2.gz GZKVTVKRDSOZRH-DOMZBBRYSA-N 0 1 321.381 0.318 50 0 DCAAMN C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@@H]1N(C)C ZINC000076051686 396193776 /nfs/dbraw/zinc/19/37/76/396193776.db2.gz PGGLOANQJWUDPO-UWVGGRQHSA-N 0 1 300.380 0.705 50 0 DCAAMN 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/nfs/dbraw/zinc/14/67/21/415146721.db2.gz XRYNRMGTZUPMOJ-SNVBAGLBSA-N 0 1 304.354 0.332 50 0 DCAAMN C[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)n1cncn1 ZINC000044953616 415237838 /nfs/dbraw/zinc/23/78/38/415237838.db2.gz DLQFHUKFCSAQOU-CYBMUJFWSA-N 0 1 307.398 0.410 50 0 DCAAMN c1nc2ncnc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)c2[nH]1 ZINC000047510567 415271139 /nfs/dbraw/zinc/27/11/39/415271139.db2.gz UCCKPBDLGITFEN-RYUDHWBXSA-N 0 1 318.381 0.502 50 0 DCAAMN CC(C)(C)NCc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000048554096 415294626 /nfs/dbraw/zinc/29/46/26/415294626.db2.gz IFKWXJNUVIFZOQ-UHFFFAOYSA-N 0 1 309.395 0.954 50 0 DCAAMN CN1CC2(CCN(c3nc(N)nc4c3CCNC4)CC2)OC1=O ZINC000071749357 415409713 /nfs/dbraw/zinc/40/97/13/415409713.db2.gz TUWIMSOBQGBJAT-UHFFFAOYSA-N 0 1 318.381 0.126 50 0 DCAAMN O=C(NCCSc1cn[nH]n1)[C@H]1COc2ccccc2O1 ZINC000067605089 415379625 /nfs/dbraw/zinc/37/96/25/415379625.db2.gz HTAGCISHMJHCGN-LLVKDONJSA-N 0 1 306.347 0.853 50 0 DCAAMN CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2c[nH]nc2C(=O)[O-])C1 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DCAAMN O=C([O-])C[C@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1c1c[nH]nn1 ZINC000299784500 416067422 /nfs/dbraw/zinc/06/74/22/416067422.db2.gz MFBZSEXBOGRWMR-GXSJLCMTSA-N 0 1 324.772 0.845 50 0 DCAAMN O=C([O-])C[C@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1c1cn[nH]n1 ZINC000299784500 416067427 /nfs/dbraw/zinc/06/74/27/416067427.db2.gz MFBZSEXBOGRWMR-GXSJLCMTSA-N 0 1 324.772 0.845 50 0 DCAAMN O=C([O-])C[C@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1c1cn[nH]n1 ZINC000299784500 416067429 /nfs/dbraw/zinc/06/74/29/416067429.db2.gz MFBZSEXBOGRWMR-GXSJLCMTSA-N 0 1 324.772 0.845 50 0 DCAAMN O=C([O-])C[C@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1c1cnn[nH]1 ZINC000299784500 416067432 /nfs/dbraw/zinc/06/74/32/416067432.db2.gz MFBZSEXBOGRWMR-GXSJLCMTSA-N 0 1 324.772 0.845 50 0 DCAAMN O=C([O-])C[C@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1c1cnn[nH]1 ZINC000299784500 416067436 /nfs/dbraw/zinc/06/74/36/416067436.db2.gz MFBZSEXBOGRWMR-GXSJLCMTSA-N 0 1 324.772 0.845 50 0 DCAAMN Cc1nc([C@@H](NC(=O)[C@H]2CNCCO2)c2ccccc2F)no1 ZINC000187786596 416262831 /nfs/dbraw/zinc/26/28/31/416262831.db2.gz IMGZKCQOFCQRTR-OLZOCXBDSA-N 0 1 320.324 0.711 50 0 DCAAMN C[C@@H]1CN(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CCO1 ZINC000246875070 416332318 /nfs/dbraw/zinc/33/23/18/416332318.db2.gz VGFOPBSIEGEPAI-MQYQWHSLSA-N 0 1 310.394 0.951 50 0 DCAAMN CCN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000248297954 416333257 /nfs/dbraw/zinc/33/32/57/416333257.db2.gz YOONQVIQFPDLQN-CHWSQXEVSA-N 0 1 304.456 0.904 50 0 DCAAMN CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](N)c3ccccc3)C2)CC1 ZINC000195554219 416326784 /nfs/dbraw/zinc/32/67/84/416326784.db2.gz ADFRPVMCGVUQIV-SJORKVTESA-N 0 1 316.449 0.925 50 0 DCAAMN O=C([O-])c1ccccc1C[N@@H+]1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000215422415 416326932 /nfs/dbraw/zinc/32/69/32/416326932.db2.gz DGMSBNVBAIQLRD-HOTGVXAUSA-N 0 1 320.389 0.652 50 0 DCAAMN O=C([O-])c1ccccc1CN1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000215422415 416326933 /nfs/dbraw/zinc/32/69/33/416326933.db2.gz DGMSBNVBAIQLRD-HOTGVXAUSA-N 0 1 320.389 0.652 50 0 DCAAMN CN1C[C@]2(CCN(C(=O)c3ccc4[nH]nnc4c3)C2)OC1=O ZINC000215690561 416327275 /nfs/dbraw/zinc/32/72/75/416327275.db2.gz GHBPKUNAVUTJOK-AWEZNQCLSA-N 0 1 301.306 0.625 50 0 DCAAMN Cn1nc(CO)c2c1CCN(CC(C)(C)N1CCOCC1)C2 ZINC000216541807 416327400 /nfs/dbraw/zinc/32/74/00/416327400.db2.gz BOHYBSYMNCQDOS-UHFFFAOYSA-N 0 1 308.426 0.381 50 0 DCAAMN O=C([O-])CC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000238162502 416329734 /nfs/dbraw/zinc/32/97/34/416329734.db2.gz MCPBSKMKCHZLNB-UHFFFAOYSA-N 0 1 310.325 0.823 50 0 DCAAMN Cc1ccccc1CNC(=O)CN1CCC[C@](O)(CO)CC1 ZINC000244723885 416330708 /nfs/dbraw/zinc/33/07/08/416330708.db2.gz MJIRYXXGJLVDCX-QGZVFWFLSA-N 0 1 306.406 0.821 50 0 DCAAMN O=c1cc(N2CCC[C@@](O)(c3c[nH]nn3)C2)nc2ccccn12 ZINC000583616901 416477777 /nfs/dbraw/zinc/47/77/77/416477777.db2.gz XIOIDERZHWAVOO-HNNXBMFYSA-N 0 1 312.333 0.301 50 0 DCAAMN Cc1cnc(C2CCC2)n1CCNC(=O)CN1CCOCC1 ZINC000575555790 417540036 /nfs/dbraw/zinc/54/00/36/417540036.db2.gz SCLBNRIDOBGNTJ-UHFFFAOYSA-N 0 1 306.410 0.907 50 0 DCAAMN Cn1cc([C@@H](O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 ZINC000253404953 294273944 /nfs/dbraw/zinc/27/39/44/294273944.db2.gz WMMXNLWBPGIQIB-UKRRQHHQSA-N 0 1 322.409 0.024 50 0 DCAAMN C[C@H](NC(=O)C1(N2CCCCC2)Cc2ccccc2C1)C(N)=O ZINC000072156877 299031789 /nfs/dbraw/zinc/03/17/89/299031789.db2.gz VDTMZFLHKXUKPU-ZDUSSCGKSA-N 0 1 315.417 1.000 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cc2ncccn2n1 ZINC000534656788 334314464 /nfs/dbraw/zinc/31/44/64/334314464.db2.gz QHDKMQWUMNBKJS-KBPBESRZSA-N 0 1 315.377 0.712 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)c3ccn(C)c(=O)c3)CCO2)n[nH]1 ZINC000083830022 545697877 /nfs/dbraw/zinc/69/78/77/545697877.db2.gz QSQZIAPRQRKFBQ-NSHDSACASA-N 0 1 317.349 0.280 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(CCCS(C)(=O)=O)CCO2)n1 ZINC000084630899 545702731 /nfs/dbraw/zinc/70/27/31/545702731.db2.gz SXVHRLGBADVWRP-LLVKDONJSA-N 0 1 316.427 0.736 50 0 DCAAMN CC(C)c1nc([C@H]2CN(CCCS(C)(=O)=O)CCO2)n[nH]1 ZINC000084630899 545702737 /nfs/dbraw/zinc/70/27/37/545702737.db2.gz SXVHRLGBADVWRP-LLVKDONJSA-N 0 1 316.427 0.736 50 0 DCAAMN C[C@@H]1CN(C(=O)CN2CCC3(CCC(=O)N3)CC2)C[C@H](C)O1 ZINC000670456148 547097729 /nfs/dbraw/zinc/09/77/29/547097729.db2.gz DOCGTIHNXJKTEZ-BETUJISGSA-N 0 1 309.410 0.367 50 0 DCAAMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc3nonc3c2)C1 ZINC000888098328 661177419 /nfs/dbraw/zinc/17/74/19/661177419.db2.gz HWIMISYKDZOAIS-UHFFFAOYSA-N 0 1 318.333 0.890 50 0 DCAAMN COc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)nn1 ZINC000178098448 658824894 /nfs/dbraw/zinc/82/48/94/658824894.db2.gz DPFRICKNBRHEDL-GFCCVEGCSA-N 0 1 306.366 0.280 50 0 DCAAMN C[C@H](NC(=O)N1CCC(c2nc[nH]n2)CC1)c1nncn1C ZINC000426411588 661579490 /nfs/dbraw/zinc/57/94/90/661579490.db2.gz XEAIRXOUMGUSTF-VIFPVBQESA-N 0 1 304.358 0.583 50 0 DCAAMN CCN1CCN(CC(=O)N[C@@H](C)c2nncn2C(C)C)CC1 ZINC000299794069 662685731 /nfs/dbraw/zinc/68/57/31/662685731.db2.gz IMTHEBKTQZIVQV-ZDUSSCGKSA-N 0 1 308.430 0.674 50 0 DCAAMN CCO[C@@H](CS(=O)(=O)N1CC[C@H](c2nc[nH]n2)C1)C1CC1 ZINC000859199815 671081562 /nfs/dbraw/zinc/08/15/62/671081562.db2.gz SMEPGSNFZWFHGI-RYUDHWBXSA-N 0 1 314.411 0.739 50 0 DCAAMN Cc1nc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)ccc1C(=O)[O-] ZINC000394737755 685267450 /nfs/dbraw/zinc/26/74/50/685267450.db2.gz HLSGGKLBLOVRHQ-LBPRGKRZSA-N 0 1 318.377 0.208 50 0 DCAAMN CN(C)CCN(C[C@@H]1CCCO1)S(=O)(=O)N1CCCCC1 ZINC000952965762 685599378 /nfs/dbraw/zinc/59/93/78/685599378.db2.gz GIZXGKPKSYXDRK-AWEZNQCLSA-N 0 1 319.471 0.760 50 0 DCAAMN O=C([C@H]1CNCCO1)N1CCC(OCc2cccnc2)CC1 ZINC000091325922 685104619 /nfs/dbraw/zinc/10/46/19/685104619.db2.gz RLBLBQBDHSTGHP-OAHLLOKOSA-N 0 1 305.378 0.578 50 0 DCAAMN CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccccc1OCCO)C2 ZINC001772702256 1157840590 /nfs/dbraw/zinc/84/05/90/1157840590.db2.gz QQUKQZFITORLAF-CABCVRRESA-N 0 1 320.389 0.347 50 0 DCAAMN Cc1cc(C[C@@H]2CN(Cc3nncn3C(C)C)C[C@@H]2O)[nH]n1 ZINC001704303443 1179966230 /nfs/dbraw/zinc/96/62/30/1179966230.db2.gz YRWZRZYSZBECTD-OCCSQVGLSA-N 0 1 304.398 0.926 50 0 DCAAMN 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/nfs/dbraw/zinc/13/84/72/193138472.db2.gz GDGXWOJFFYHWOT-UONOGXRCSA-N 0 1 303.362 0.804 50 0 DCAAMN COCC[N@H+]1C[C@@H]2CN(c3nccnc3C)C[C@]2(C(=O)[O-])C1 ZINC000092097232 193157571 /nfs/dbraw/zinc/15/75/71/193157571.db2.gz UIBWVPFUILEVNK-IUODEOHRSA-N 0 1 306.366 0.254 50 0 DCAAMN CCN(CC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1 ZINC000015864100 182022724 /nfs/dbraw/zinc/02/27/24/182022724.db2.gz QVFCZIIATXDDCB-UHFFFAOYSA-N 0 1 311.332 0.859 50 0 DCAAMN COc1cc(CN[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000019772581 182145212 /nfs/dbraw/zinc/14/52/12/182145212.db2.gz BGWJFCJYYMKETM-NSHDSACASA-N 0 1 315.391 0.989 50 0 DCAAMN COc1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1 ZINC000020819454 182247836 /nfs/dbraw/zinc/24/78/36/182247836.db2.gz CZLSBRNIKMTBCK-UHFFFAOYSA-N 0 1 313.423 0.221 50 0 DCAAMN COc1ccc(C)cc1NS(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000021168291 182268223 /nfs/dbraw/zinc/26/82/23/182268223.db2.gz VWSMBMNBRSQOAR-JTQLQIEISA-N 0 1 319.404 0.932 50 0 DCAAMN O=S1(=O)C[C@H](O)[C@@H](NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000023248950 182355021 /nfs/dbraw/zinc/35/50/21/182355021.db2.gz FZQXFCKUFDXIGB-XHSDSOJGSA-N 0 1 324.446 0.571 50 0 DCAAMN O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC[NH+]1CCOCC1 ZINC000299761348 304206304 /nfs/dbraw/zinc/20/63/04/304206304.db2.gz VLIPMPNRQCEJBM-OAHLLOKOSA-N 0 1 318.373 0.747 50 0 DCAAMN O=C(Cn1cnnn1)N1CCCN(Cc2cccs2)CC1 ZINC000041936118 183226001 /nfs/dbraw/zinc/22/60/01/183226001.db2.gz OAPOBPCVTWJIJH-UHFFFAOYSA-N 0 1 306.395 0.469 50 0 DCAAMN CCN1C[C@@H](NCC(=O)NCc2ccccc2OC)CC1=O ZINC000065528031 184360381 /nfs/dbraw/zinc/36/03/81/184360381.db2.gz JQOKVXPTGGWUOJ-ZDUSSCGKSA-N 0 1 305.378 0.522 50 0 DCAAMN COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCN[C@H](C)C2)c1 ZINC000237250899 257239143 /nfs/dbraw/zinc/23/91/43/257239143.db2.gz DAHAQXJKTTXPDE-WBMJQRKESA-N 0 1 319.405 0.563 50 0 DCAAMN Cc1nc2cc(C)ccn2c1C(=O)N1C[C@@H]2NCCO[C@H]2C1 ZINC000426490202 257249147 /nfs/dbraw/zinc/24/91/47/257249147.db2.gz JOXAMIRPOIXASF-STQMWFEESA-N 0 1 300.362 0.764 50 0 DCAAMN Cc1[nH]nc(CCC(=O)NC2CC[NH+](CC(=O)[O-])CC2)c1C ZINC000426487506 257249592 /nfs/dbraw/zinc/24/95/92/257249592.db2.gz QTYLSXIMEPFISS-UHFFFAOYSA-N 0 1 308.382 0.624 50 0 DCAAMN C[C@@H](C(=O)NC[C@H](O)COc1ccc(F)c(F)c1)N(C)C ZINC000089496702 395712584 /nfs/dbraw/zinc/71/25/84/395712584.db2.gz HNQHWTNQZIONNE-UWVGGRQHSA-N 0 1 302.321 0.771 50 0 DCAAMN CC(C)CNC(=O)c1[nH]cnc1C(=O)N[C@H]1CCCCNC1=O ZINC000033003880 395715600 /nfs/dbraw/zinc/71/56/00/395715600.db2.gz BQKGNJABOZSRFC-JTQLQIEISA-N 0 1 321.381 0.194 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)[C@H](C)n3cccn3)CCO2)n[nH]1 ZINC000095402170 395740359 /nfs/dbraw/zinc/74/03/59/395740359.db2.gz GHAGGBGHASTIDS-QWRGUYRKSA-N 0 1 304.354 0.725 50 0 DCAAMN CCC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000096098689 395744488 /nfs/dbraw/zinc/74/44/88/395744488.db2.gz FOIBFGMNFBQEGX-UHFFFAOYSA-N 0 1 305.382 0.372 50 0 DCAAMN CCCN1CCN(C(=O)c2ccc(=O)n(CCOC)n2)CC1 ZINC000097527658 395758616 /nfs/dbraw/zinc/75/86/16/395758616.db2.gz OMIUFFSODWXACT-UHFFFAOYSA-N 0 1 308.382 0.058 50 0 DCAAMN c1cnc(N2CCN(Cc3nnc([C@H]4CCOC4)[nH]3)CC2)nc1 ZINC000097515197 395758641 /nfs/dbraw/zinc/75/86/41/395758641.db2.gz HPLBOLZYHBVLEA-LBPRGKRZSA-N 0 1 315.381 0.421 50 0 DCAAMN c1cnc(N2CCN(Cc3n[nH]c([C@H]4CCOC4)n3)CC2)nc1 ZINC000097515197 395758643 /nfs/dbraw/zinc/75/86/43/395758643.db2.gz HPLBOLZYHBVLEA-LBPRGKRZSA-N 0 1 315.381 0.421 50 0 DCAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=S)NC1=O ZINC000100149936 395762734 /nfs/dbraw/zinc/76/27/34/395762734.db2.gz UFKNVXBWMBITCM-UEUZTHOGSA-N 0 1 300.343 0.914 50 0 DCAAMN Cc1nc(S(=O)(=O)N[C@@H](CC(C)C)CN(C)C)cn1C ZINC000195574155 395832234 /nfs/dbraw/zinc/83/22/34/395832234.db2.gz ZTJJNLHMDUHUIO-LBPRGKRZSA-N 0 1 302.444 0.983 50 0 DCAAMN COc1ccccc1CC(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000214995696 395836591 /nfs/dbraw/zinc/83/65/91/395836591.db2.gz IKFQKQIXHONLMD-UHFFFAOYSA-N 0 1 315.377 0.700 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc2n[nH]nc2c1 ZINC000218971671 395844017 /nfs/dbraw/zinc/84/40/17/395844017.db2.gz DFDRKRPFMZYCAO-GJZGRUSLSA-N 0 1 315.377 0.941 50 0 DCAAMN C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C1CCOCC1)C2 ZINC000219511352 395845676 /nfs/dbraw/zinc/84/56/76/395845676.db2.gz LAACYMQRTOICIG-MRXNPFEDSA-N 0 1 308.426 0.863 50 0 DCAAMN COCCc1nc(CNC(=O)c2ccc3[nH]nnc3c2)no1 ZINC000220376885 395848656 /nfs/dbraw/zinc/84/86/56/395848656.db2.gz XOZFQSONGVEKFF-UHFFFAOYSA-N 0 1 302.294 0.460 50 0 DCAAMN Cc1nn(CCC(=O)NCCN2CCC(O)CC2)c(C)c1C ZINC000220549929 395849039 /nfs/dbraw/zinc/84/90/39/395849039.db2.gz ZNJASZQHMIEPDV-UHFFFAOYSA-N 0 1 308.426 0.771 50 0 DCAAMN CCc1nc(SCC(=O)N2C[C@H]3CC[C@@H](C2)NC3=O)n[nH]1 ZINC000221242294 395850661 /nfs/dbraw/zinc/85/06/61/395850661.db2.gz QPKAFHJLRYXPEK-BDAKNGLRSA-N 0 1 309.395 0.196 50 0 DCAAMN CCc1n[nH]c(SCC(=O)N2C[C@H]3CC[C@@H](C2)NC3=O)n1 ZINC000221242294 395850662 /nfs/dbraw/zinc/85/06/62/395850662.db2.gz QPKAFHJLRYXPEK-BDAKNGLRSA-N 0 1 309.395 0.196 50 0 DCAAMN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1[nH]nnc1C)C2 ZINC000222561194 395852691 /nfs/dbraw/zinc/85/26/91/395852691.db2.gz WETDJPHZOMSTFJ-LBPRGKRZSA-N 0 1 304.354 0.799 50 0 DCAAMN C[N@H+]1C[C@@H](NC(=O)CCc2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000223523864 395856096 /nfs/dbraw/zinc/85/60/96/395856096.db2.gz JWFHFUSMZGWAKS-RYUDHWBXSA-N 0 1 320.345 0.621 50 0 DCAAMN CNS(=O)(=O)c1cc(C(=O)N2CCNC[C@@H]2C)ccc1F ZINC000126257602 395911585 /nfs/dbraw/zinc/91/15/85/395911585.db2.gz ZDHDNAXIOHAVBK-VIFPVBQESA-N 0 1 315.370 0.168 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000248501281 395989206 /nfs/dbraw/zinc/98/92/06/395989206.db2.gz WJBKZTRALYELSX-UONOGXRCSA-N 0 1 311.426 0.328 50 0 DCAAMN CCOc1ccc(CN2CC[C@H](NC(=O)CN(C)C)C2)cn1 ZINC000065267463 395991984 /nfs/dbraw/zinc/99/19/84/395991984.db2.gz SFOUONQNWQVGLU-AWEZNQCLSA-N 0 1 306.410 0.732 50 0 DCAAMN CC(C)c1cc(C2CCN(C(=O)Cc3nn[nH]n3)CC2)[nH]n1 ZINC000067756726 396033105 /nfs/dbraw/zinc/03/31/05/396033105.db2.gz GFLXMCKBVFHIFY-UHFFFAOYSA-N 0 1 303.370 0.995 50 0 DCAAMN Nc1ncccc1CNC[C@@]1(O)CCCN(CC2CC2)C1=O ZINC000067840997 396036135 /nfs/dbraw/zinc/03/61/35/396036135.db2.gz IMLBYDGXHMTGGV-INIZCTEOSA-N 0 1 304.394 0.517 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000156561340 396061638 /nfs/dbraw/zinc/06/16/38/396061638.db2.gz JCXOUKJELFCZEM-ZJUUUORDSA-N 0 1 315.395 0.387 50 0 DCAAMN CC[C@H]1CN([C@@H](C)C(=O)Nc2ncccn2)CCN1CCOC ZINC000069738105 396088399 /nfs/dbraw/zinc/08/83/99/396088399.db2.gz HQAZVIGLUDLENK-KBPBESRZSA-N 0 1 321.425 0.846 50 0 DCAAMN CC[C@H]1CN(CC(=O)Nc2nncs2)CCN1CCOC ZINC000069841416 396091909 /nfs/dbraw/zinc/09/19/09/396091909.db2.gz SBFKIUQTPDHSHU-NSHDSACASA-N 0 1 313.427 0.519 50 0 DCAAMN CC(C)N1CCO[C@@H](CN2CCN(Cc3nccn3C)CC2)C1 ZINC000069947189 396095194 /nfs/dbraw/zinc/09/51/94/396095194.db2.gz CMYBWIBFRRMUTG-INIZCTEOSA-N 0 1 321.469 0.647 50 0 DCAAMN CC(C)N1CCO[C@H](CN2CCN(Cc3nccn3C)CC2)C1 ZINC000069947187 396095553 /nfs/dbraw/zinc/09/55/53/396095553.db2.gz CMYBWIBFRRMUTG-MRXNPFEDSA-N 0 1 321.469 0.647 50 0 DCAAMN CN(CCO)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000070924587 396106668 /nfs/dbraw/zinc/10/66/68/396106668.db2.gz ASPFWRYPIUNMEN-UHFFFAOYSA-N 0 1 313.442 0.062 50 0 DCAAMN CS(=O)(=O)c1ccc(OCCNC(=O)c2cnn[nH]2)cc1 ZINC000071879563 396122332 /nfs/dbraw/zinc/12/23/32/396122332.db2.gz IEWAFMYBTOCDIA-UHFFFAOYSA-N 0 1 310.335 0.017 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CCO2)n[nH]1 ZINC000072299547 396130784 /nfs/dbraw/zinc/13/07/84/396130784.db2.gz WZZLMOHHNZHHFL-UPJWGTAASA-N 0 1 316.365 0.550 50 0 DCAAMN CC(C)(C)c1nc([C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)n[nH]1 ZINC000078890053 396256130 /nfs/dbraw/zinc/25/61/30/396256130.db2.gz NZJUZBWGVDNBQR-VHSXEESVSA-N 0 1 321.381 0.281 50 0 DCAAMN CC(C)(C)c1nnc([C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)[nH]1 ZINC000078890053 396256132 /nfs/dbraw/zinc/25/61/32/396256132.db2.gz NZJUZBWGVDNBQR-VHSXEESVSA-N 0 1 321.381 0.281 50 0 DCAAMN Cc1cccnc1N1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1 ZINC000077379614 396220379 /nfs/dbraw/zinc/22/03/79/396220379.db2.gz MIOGIFKFFXHSIS-OAHLLOKOSA-N 0 1 318.421 0.495 50 0 DCAAMN CN1CC2(CCN(C[C@H]3CCCS(=O)(=O)C3)CC2)OC1=O ZINC000077518405 396224966 /nfs/dbraw/zinc/22/49/66/396224966.db2.gz OFEADKQWSPXKQN-GFCCVEGCSA-N 0 1 316.423 0.728 50 0 DCAAMN CC(C)N1CCO[C@H](CC(=O)NCCN2CCCCC2=O)C1 ZINC000584894686 396634987 /nfs/dbraw/zinc/63/49/87/396634987.db2.gz YHQZLYKWHKNMGL-CQSZACIVSA-N 0 1 311.426 0.614 50 0 DCAAMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000584900273 396636116 /nfs/dbraw/zinc/63/61/16/396636116.db2.gz UUKOWLOBJBPRNM-UHFFFAOYSA-N 0 1 302.334 0.854 50 0 DCAAMN CN1CCN(C(C)(C)Cn2cnc3cnccc3c2=O)CC1 ZINC000584900196 396636164 /nfs/dbraw/zinc/63/61/64/396636164.db2.gz XQPWPFMRTVPQLS-UHFFFAOYSA-N 0 1 301.394 0.818 50 0 DCAAMN COCCn1cnnc1[C@H](C)NC(=O)CN1CCCCCC1 ZINC000584899178 396636319 /nfs/dbraw/zinc/63/63/19/396636319.db2.gz JLABRSMATGOJJM-ZDUSSCGKSA-N 0 1 309.414 0.978 50 0 DCAAMN COCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)C1 ZINC000299799560 396714072 /nfs/dbraw/zinc/71/40/72/396714072.db2.gz SKNWMXBVBOBKMN-LLVKDONJSA-N 0 1 310.350 0.952 50 0 DCAAMN COCC1(C(=O)N2CCN(C)[C@]3(C2)CCNC(=O)CC3)CCC1 ZINC000091781511 292212011 /nfs/dbraw/zinc/21/20/11/292212011.db2.gz RVOGYJFUMPXHDO-KRWDZBQOSA-N 0 1 323.437 0.616 50 0 DCAAMN COc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c(OC)n1 ZINC000220730004 286289451 /nfs/dbraw/zinc/28/94/51/286289451.db2.gz YYSPLNDMJHIKNF-STQMWFEESA-N 0 1 321.377 0.692 50 0 DCAAMN C[C@H](Cc1ccccc1)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000132738286 196279701 /nfs/dbraw/zinc/27/97/01/196279701.db2.gz ZDMPQBQIPVZAIM-UKRRQHHQSA-N 0 1 301.390 0.508 50 0 DCAAMN O=C(NCCCO)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000008791924 415145417 /nfs/dbraw/zinc/14/54/17/415145417.db2.gz KYMRZDITJWISAV-SNVBAGLBSA-N 0 1 304.354 0.068 50 0 biogenic DCAAMN c1nc2ncnc(NC[C@H]([C@H]3CCOC3)N3CCOCC3)c2[nH]1 ZINC000047510568 415268841 /nfs/dbraw/zinc/26/88/41/415268841.db2.gz UCCKPBDLGITFEN-NWDGAFQWSA-N 0 1 318.381 0.502 50 0 DCAAMN O=C(Cn1nnc2ccccc21)NCCCCN1CCOCC1 ZINC000048286949 415288549 /nfs/dbraw/zinc/28/85/49/415288549.db2.gz ODGWSMRRDKHJDN-UHFFFAOYSA-N 0 1 317.393 0.660 50 0 DCAAMN CC(C)c1n[nH]c(NC(=O)Cn2nnc3ccccc3c2=O)n1 ZINC000095478201 415564139 /nfs/dbraw/zinc/56/41/39/415564139.db2.gz DNWHWABUJOQPFW-UHFFFAOYSA-N 0 1 313.321 0.672 50 0 DCAAMN CC(C)c1nc(NC(=O)Cn2nnc3ccccc3c2=O)n[nH]1 ZINC000095478201 415564146 /nfs/dbraw/zinc/56/41/46/415564146.db2.gz DNWHWABUJOQPFW-UHFFFAOYSA-N 0 1 313.321 0.672 50 0 DCAAMN CCN1C(=O)C2=C(C(=O)c3ccc4ccccc4n3)NNC2C1=O ZINC000103462795 415618130 /nfs/dbraw/zinc/61/81/30/415618130.db2.gz PUPNBHXGDTUZEQ-GXTWGEPZSA-N 0 1 322.324 0.750 50 0 DCAAMN NC(=O)c1cnc(N2C[C@H](O)[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000106857161 415648916 /nfs/dbraw/zinc/64/89/16/415648916.db2.gz MNMNEPSEBHAWAO-RYUDHWBXSA-N 0 1 310.785 0.479 50 0 DCAAMN C[C@@H]1CN(C[C@@H](O)Cn2nnc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000106865215 415651970 /nfs/dbraw/zinc/65/19/70/415651970.db2.gz JRIHOWNHUAKGFU-VNHYZAJKSA-N 0 1 317.393 0.810 50 0 DCAAMN Cc1cc(N)n(CC(=O)NCCN2CCc3ccccc3C2)n1 ZINC000299776758 416067402 /nfs/dbraw/zinc/06/74/02/416067402.db2.gz GYRBEIHZNIJMSW-UHFFFAOYSA-N 0 1 313.405 0.948 50 0 DCAAMN C[C@@H](CNC(=O)Nc1cccc(C(N)=O)c1)N1CCN(C)CC1 ZINC000299789275 416069672 /nfs/dbraw/zinc/06/96/72/416069672.db2.gz ZEALCLZKSZSKIY-LBPRGKRZSA-N 0 1 319.409 0.543 50 0 DCAAMN Cn1nncc1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000253395686 416334811 /nfs/dbraw/zinc/33/48/11/416334811.db2.gz PFCRWZDAWMUCET-KGLIPLIRSA-N 0 1 315.377 0.180 50 0 DCAAMN COc1cc(C[N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)cc2c1OCO2 ZINC000215031025 416327193 /nfs/dbraw/zinc/32/71/93/416327193.db2.gz LLSDSSGWQRLJID-LVEBTZEWSA-N 0 1 321.373 0.988 50 0 DCAAMN CN(Cc1cnc(N(C)CC(=O)[O-])nc1)C[C@@H]1CCCC[N@H+]1C ZINC000216242016 416327467 /nfs/dbraw/zinc/32/74/67/416327467.db2.gz PKMVJIFKCZEPEK-AWEZNQCLSA-N 0 1 321.425 0.914 50 0 DCAAMN CC(=O)Nc1nc(CN2CCN(C[C@H](C)O)[C@H](C)C2)cs1 ZINC000240900786 277091330 /nfs/dbraw/zinc/09/13/30/277091330.db2.gz ITXUHLBNHNDTKD-MNOVXSKESA-N 0 1 312.439 0.988 50 0 DCAAMN C[C@H](c1ccccc1)n1c2c([nH]c1=NN)n(C)c(=O)n(C)c2=O ZINC000000193573 278312113 /nfs/dbraw/zinc/31/21/13/278312113.db2.gz XSWGXXOGWQRSGR-SECBINFHSA-N 0 1 314.349 0.329 50 0 biogenic DCAAMN Cc1ccccc1[C@@H]1CN(C(=O)CNC(=O)CN)[C@H](C)CO1 ZINC000124967988 278957901 /nfs/dbraw/zinc/95/79/01/278957901.db2.gz DRNYFKCQXZERCU-OCCSQVGLSA-N 0 1 305.378 0.358 50 0 DCAAMN O=C([C@@H]1CCC(=O)c2cccn21)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000328859660 280080814 /nfs/dbraw/zinc/08/08/14/280080814.db2.gz ADYGCBSYZIOROD-NWDGAFQWSA-N 0 1 315.333 0.724 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000124586630 288319233 /nfs/dbraw/zinc/31/92/33/288319233.db2.gz NGBVUNWHCDJUTH-LLVKDONJSA-N 0 1 302.378 0.899 50 0 DCAAMN C[C@@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)C[C@@H](C)N1 ZINC000153576182 534302748 /nfs/dbraw/zinc/30/27/48/534302748.db2.gz JYSZINAMSBJSRV-VXGBXAGGSA-N 0 1 305.378 0.763 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])o1 ZINC000156966001 522273265 /nfs/dbraw/zinc/27/32/65/522273265.db2.gz YQXCLIUGKVWRRH-NXEZZACHSA-N 0 1 315.395 0.387 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000156561217 522277147 /nfs/dbraw/zinc/27/71/47/522277147.db2.gz JCXOUKJELFCZEM-UWVGGRQHSA-N 0 1 315.395 0.387 50 0 DCAAMN Cc1ccccc1[C@@H](CC(=O)N1CCNC[C@@H]1C)NC(N)=O ZINC000126430006 525364982 /nfs/dbraw/zinc/36/49/82/525364982.db2.gz GYOKDGACAWQNIW-GXTWGEPZSA-N 0 1 304.394 0.915 50 0 DCAAMN CN1C[C@@]2(CCN(Cc3ccc4c(c3)OCCO4)C2)OCC1=O ZINC000670461620 547099199 /nfs/dbraw/zinc/09/91/99/547099199.db2.gz MFXTYSQNQVGBHK-QGZVFWFLSA-N 0 1 318.373 0.891 50 0 DCAAMN CN(C)c1ccc(CN[C@H]2COC[C@H]2Oc2cn[nH]c2)cn1 ZINC000685941106 548747101 /nfs/dbraw/zinc/74/71/01/548747101.db2.gz RGOOTFLJBMKAED-UONOGXRCSA-N 0 1 303.366 0.807 50 0 DCAAMN CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000257365072 563595013 /nfs/dbraw/zinc/59/50/13/563595013.db2.gz FUUURUZFUUCUOH-UONOGXRCSA-N 0 1 315.439 0.107 50 0 DCAAMN Cc1nnnn1CCC(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 ZINC000952988718 685602589 /nfs/dbraw/zinc/60/25/89/685602589.db2.gz RSDPCLBAENAQCT-QMMMGPOBSA-N 0 1 315.337 0.940 50 0 DCAAMN C[C@@H](CS(=O)(=O)N(C)C)N[C@H]1CCCc2c1cnn2C ZINC000952992392 685602860 /nfs/dbraw/zinc/60/28/60/685602860.db2.gz LWESNQXLFVAQFX-JQWIXIFHSA-N 0 1 300.428 0.667 50 0 DCAAMN O=C(NCc1nnc2n1CCCCC2)[C@H]1NCCc2[nH]cnc21 ZINC000072433366 685075390 /nfs/dbraw/zinc/07/53/90/685075390.db2.gz ZYXZPGMNALDJIF-AWEZNQCLSA-N 0 1 315.381 0.231 50 0 DCAAMN Cc1cc(C)n(CCNC(=O)c2[nH]nc3c2CCCC3)c(=O)n1 ZINC000825131904 1158762930 /nfs/dbraw/zinc/76/29/30/1158762930.db2.gz AYZRKZUQUVCQOG-UHFFFAOYSA-N 0 1 315.377 0.892 50 0 DCAAMN CCn1ncc(C(=O)N2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)c1C ZINC001704280583 1179958845 /nfs/dbraw/zinc/95/88/45/1179958845.db2.gz LWWRPBVLNHQPQA-IUODEOHRSA-N 0 1 317.393 0.919 50 0 DCAAMN O=C(c1[nH]ncc1Cl)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704297871 1179964525 /nfs/dbraw/zinc/96/45/25/1179964525.db2.gz ADRBZXHSMFOHKH-LDYMZIIASA-N 0 1 307.741 0.529 50 0 DCAAMN C[N@H+]1C[C@H]2COC[C@@H]1CN(Cc1ccccc1OCC(=O)[O-])C2 ZINC001704307172 1179968199 /nfs/dbraw/zinc/96/81/99/1179968199.db2.gz VDYQGSJWCRYOFW-HIFRSBDPSA-N 0 1 320.389 0.912 50 0 DCAAMN O=C([O-])C[N@H+]1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccccc1)C2 ZINC001704326456 1179974005 /nfs/dbraw/zinc/97/40/05/1179974005.db2.gz XGKZYTQGSQSGMN-JSGCOSHPSA-N 0 1 304.346 0.544 50 0 DCAAMN COc1ncccc1CN1CCC2(CC1)C[C@@](O)(CO)CCO2 ZINC001704326446 1179974166 /nfs/dbraw/zinc/97/41/66/1179974166.db2.gz XEZFYOLJQWFKGA-MRXNPFEDSA-N 0 1 322.405 0.959 50 0 DCAAMN Cc1cc2nc(C[N@@H+](C)CCn3ccnc3C)cc(=O)n2[n-]1 ZINC001704352139 1179982405 /nfs/dbraw/zinc/98/24/05/1179982405.db2.gz QDOMIMHBVDKOKO-UHFFFAOYSA-N 0 1 300.366 0.968 50 0 DCAAMN CNC(=O)c1cc(O[C@H]2CCCN(CC(OC)OC)C2)ccn1 ZINC000585116075 747285283 /nfs/dbraw/zinc/28/52/83/747285283.db2.gz GLFMTRPUVSKZAM-ZDUSSCGKSA-N 0 1 323.393 0.903 50 0 DCAAMN CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H](O)C2 ZINC000823597145 758253089 /nfs/dbraw/zinc/25/30/89/758253089.db2.gz CAOLVWXZRRHBKK-GFCCVEGCSA-N 0 1 306.410 0.530 50 0 DCAAMN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](O)C2 ZINC000823597145 758253091 /nfs/dbraw/zinc/25/30/91/758253091.db2.gz CAOLVWXZRRHBKK-GFCCVEGCSA-N 0 1 306.410 0.530 50 0 DCAAMN CN(C)C(=O)c1cncc(NCC(C)(C)N2CCN(C)CC2)n1 ZINC000823789380 758276015 /nfs/dbraw/zinc/27/60/15/758276015.db2.gz IZFLKMZOAPPVOQ-UHFFFAOYSA-N 0 1 320.441 0.616 50 0 DCAAMN COCc1cc(CNC(=O)CCN2CCCCCC2=O)n[nH]1 ZINC000824475075 758774997 /nfs/dbraw/zinc/77/49/97/758774997.db2.gz DKGNYMLSFAOLHU-UHFFFAOYSA-N 0 1 308.382 0.965 50 0 DCAAMN NS(=O)(=O)CCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000828032268 758917163 /nfs/dbraw/zinc/91/71/63/758917163.db2.gz NLFSZRVEFRIEKP-UHFFFAOYSA-N 0 1 314.342 0.387 50 0 DCAAMN CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H]([NH3+])c1ccccc1 ZINC000952878847 768941803 /nfs/dbraw/zinc/94/18/03/768941803.db2.gz JXKDJPQUOBHVQZ-JEOXALJRSA-N 0 1 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/nfs/dbraw/zinc/04/00/90/193040090.db2.gz PRUNKDKTEDNOQX-ZBEGNZNMSA-N 0 1 322.361 0.905 50 0 DCAAMN Cc1[nH]nc(CCC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)c1C ZINC000091644815 193083849 /nfs/dbraw/zinc/08/38/49/193083849.db2.gz BQGHGXNSEIAYKK-OKILXGFUSA-N 0 1 307.394 0.693 50 0 DCAAMN CCN1CC[C@]2(CN(Cc3nnc(C)o3)CCN2C)CCC1=O ZINC000091620278 193080793 /nfs/dbraw/zinc/08/07/93/193080793.db2.gz DSNVXGCVDCXFND-INIZCTEOSA-N 0 1 321.425 0.897 50 0 DCAAMN O=C([O-])[C@@H]1C[N@@H+](CCN2CCOCC2)C[C@H]1c1ccccn1 ZINC000091997858 193139773 /nfs/dbraw/zinc/13/97/73/193139773.db2.gz IPFVDABKQXACLX-ZIAGYGMSSA-N 0 1 305.378 0.514 50 0 DCAAMN COCC[N@H+]1C[C@@H]2CN(c3nnc(C)s3)C[C@]2(C(=O)[O-])C1 ZINC000096165065 193559497 /nfs/dbraw/zinc/55/94/97/193559497.db2.gz JHSDYSNIRRBJNM-ZWNOBZJWSA-N 0 1 312.395 0.316 50 0 DCAAMN CN1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1CCO ZINC000020775391 182246586 /nfs/dbraw/zinc/24/65/86/182246586.db2.gz QNZAZXXEWGOPCZ-AWEZNQCLSA-N 0 1 301.394 0.766 50 0 DCAAMN CN1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1 ZINC000021487225 182274796 /nfs/dbraw/zinc/27/47/96/182274796.db2.gz XWBMJULURSXGMW-UHFFFAOYSA-N 0 1 311.451 0.991 50 0 DCAAMN Cc1cc(=O)n2nc(CN3CCC(C(N)=O)CC3)sc2n1 ZINC000021670861 182283424 /nfs/dbraw/zinc/28/34/24/182283424.db2.gz VKAPKZMCRYTNFA-UHFFFAOYSA-N 0 1 307.379 0.157 50 0 DCAAMN O=S1(=O)C[C@H](O)[C@H](N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000022787024 182334904 /nfs/dbraw/zinc/33/49/04/182334904.db2.gz NZYRXLCDZBUGLI-ZNMIVQPWSA-N 0 1 310.419 0.008 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)NCCc2cnn(C)c2)C1 ZINC000043820971 183386733 /nfs/dbraw/zinc/38/67/33/183386733.db2.gz QNKMCTJDYIKDPW-OAHLLOKOSA-N 0 1 323.441 0.619 50 0 DCAAMN O=C(Cn1cnnn1)NC1CCN(Cc2ccccc2F)CC1 ZINC000058971398 184132872 /nfs/dbraw/zinc/13/28/72/184132872.db2.gz PRIMMSQPFDWWIE-UHFFFAOYSA-N 0 1 318.356 0.593 50 0 DCAAMN CCCNC(=O)c1cnn2c1n(CC)c1c(c2=O)CN(C)CC1 ZINC000064836015 184304498 /nfs/dbraw/zinc/30/44/98/184304498.db2.gz BDSBYHJCOCSAJE-UHFFFAOYSA-N 0 1 317.393 0.644 50 0 DCAAMN COc1nc2c(cc1C(=O)N[C@@H]1C[C@@H](CO)N(C)C1)CCC2 ZINC000065372677 184330939 /nfs/dbraw/zinc/33/09/39/184330939.db2.gz IFRIYVUTJVKYPY-NEPJUHHUSA-N 0 1 305.378 0.374 50 0 DCAAMN CC[C@@H](NCCS(=O)(=O)NC)C(=O)NC1CCCCC1 ZINC000065505704 184356744 /nfs/dbraw/zinc/35/67/44/184356744.db2.gz DKQBILWXEAIURY-GFCCVEGCSA-N 0 1 305.444 0.353 50 0 DCAAMN CCCN(CC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000033032622 395715932 /nfs/dbraw/zinc/71/59/32/395715932.db2.gz YGUAYOSYWSOGJI-UHFFFAOYSA-N 0 1 319.405 0.979 50 0 DCAAMN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000029201454 395697162 /nfs/dbraw/zinc/69/71/62/395697162.db2.gz DAZAXQHFINJUNW-JTQLQIEISA-N 0 1 312.395 0.441 50 0 DCAAMN CCc1nc([C@@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCO2)n[nH]1 ZINC000095402433 395740600 /nfs/dbraw/zinc/74/06/00/395740600.db2.gz XBSPJVDFWVMMQH-RYUDHWBXSA-N 0 1 323.397 0.036 50 0 DCAAMN C[C@@H](CCc1cccn1C)NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000096440119 395753417 /nfs/dbraw/zinc/75/34/17/395753417.db2.gz 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/nfs/dbraw/zinc/85/75/70/395857570.db2.gz DQKAWBCZFKGMHA-DGCLKSJQSA-N 0 1 315.753 0.942 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)NCCCc2ccccc2O)C1 ZINC000055108363 395911523 /nfs/dbraw/zinc/91/15/23/395911523.db2.gz WWZSLRHNCUGWJK-CQSZACIVSA-N 0 1 319.405 0.638 50 0 DCAAMN CCc1nc([C@H]2CN([C@@H](C(N)=O)c3ccccc3)CCO2)n[nH]1 ZINC000229826166 395876364 /nfs/dbraw/zinc/87/63/64/395876364.db2.gz QKAMOTJNXWQWOD-TZMCWYRMSA-N 0 1 315.377 0.967 50 0 DCAAMN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1ncccc1O ZINC000058231251 395951930 /nfs/dbraw/zinc/95/19/30/395951930.db2.gz IDTOKOMARJULBD-UHFFFAOYSA-N 0 1 312.329 0.976 50 0 DCAAMN COCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000253392007 396026324 /nfs/dbraw/zinc/02/63/24/396026324.db2.gz YIZCOHRMZDCRAS-UONOGXRCSA-N 0 1 306.362 0.582 50 0 DCAAMN Cc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1S(N)(=O)=O ZINC000153965806 396028169 /nfs/dbraw/zinc/02/81/69/396028169.db2.gz FZVIJSIJFOLVLY-GHMZBOCLSA-N 0 1 311.407 0.465 50 0 DCAAMN Cc1nnc([C@H]2CCC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)[nH]1 ZINC000253536391 396029438 /nfs/dbraw/zinc/02/94/38/396029438.db2.gz DRNUSLZTLNFAFO-LBPRGKRZSA-N 0 1 318.381 0.563 50 0 DCAAMN Cc1n[nH]c([C@H]2CCC[N@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)n1 ZINC000253536391 396029442 /nfs/dbraw/zinc/02/94/42/396029442.db2.gz DRNUSLZTLNFAFO-LBPRGKRZSA-N 0 1 318.381 0.563 50 0 DCAAMN Cc1n[nH]c([C@H]2CCC[N@@H+](CCn3c(=O)cc(C)[nH]c3=O)C2)n1 ZINC000253536391 396029446 /nfs/dbraw/zinc/02/94/46/396029446.db2.gz DRNUSLZTLNFAFO-LBPRGKRZSA-N 0 1 318.381 0.563 50 0 DCAAMN CC1(C)NC(=O)N(CCN2CCCC[C@@H]2Cn2cncn2)C1=O ZINC000071876337 396121225 /nfs/dbraw/zinc/12/12/25/396121225.db2.gz UOJOZQVKUQLFRO-GFCCVEGCSA-N 0 1 320.397 0.463 50 0 DCAAMN CC1(C)NC(=O)N(CCN2CCCC[C@H]2Cn2cncn2)C1=O ZINC000071876338 396121780 /nfs/dbraw/zinc/12/17/80/396121780.db2.gz UOJOZQVKUQLFRO-LBPRGKRZSA-N 0 1 320.397 0.463 50 0 DCAAMN NC(=O)c1cnc(N2C[C@@H](O)[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000071922362 396125353 /nfs/dbraw/zinc/12/53/53/396125353.db2.gz MNMNEPSEBHAWAO-NWDGAFQWSA-N 0 1 310.785 0.479 50 0 DCAAMN COCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000071920362 396125711 /nfs/dbraw/zinc/12/57/11/396125711.db2.gz ZMVXJITVWZGGBJ-AWEZNQCLSA-N 0 1 305.378 0.770 50 0 DCAAMN CS(=O)(=O)NCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176122187 396149654 /nfs/dbraw/zinc/14/96/54/396149654.db2.gz FCWXVIUYPPJJJJ-UHFFFAOYSA-N 0 1 314.342 0.258 50 0 DCAAMN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1ccncc1O ZINC000075108452 396176060 /nfs/dbraw/zinc/17/60/60/396176060.db2.gz RZXAAULHKMYAGN-UHFFFAOYSA-N 0 1 312.329 0.976 50 0 DCAAMN Cc1nc([C@H]2CN(CC(=O)NC(C3CC3)C3CC3)CCO2)n[nH]1 ZINC000076048085 396193501 /nfs/dbraw/zinc/19/35/01/396193501.db2.gz MQFGXQASYOJOFE-CYBMUJFWSA-N 0 1 319.409 0.791 50 0 DCAAMN O=S(=O)(C[C@H]1CNCCO1)NCc1c(F)cccc1Cl ZINC000630095431 396939844 /nfs/dbraw/zinc/93/98/44/396939844.db2.gz LPCUJOAGMFXPIM-SECBINFHSA-N 0 1 322.789 0.887 50 0 DCAAMN NC(=O)C1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000007435779 415139557 /nfs/dbraw/zinc/13/95/57/415139557.db2.gz CNTUNOUSSDFZAX-UHFFFAOYSA-N 0 1 307.369 0.682 50 0 DCAAMN CCCCN(CCO)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000075572677 415447882 /nfs/dbraw/zinc/44/78/82/415447882.db2.gz KREMNMJVXDBJIK-UHFFFAOYSA-N 0 1 311.426 0.162 50 0 DCAAMN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 ZINC000095356276 415553735 /nfs/dbraw/zinc/55/37/35/415553735.db2.gz BWNWERACXQWRNV-ZIAGYGMSSA-N 0 1 319.405 0.777 50 0 DCAAMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cnn3c2CCCC3)C1 ZINC000285801191 415620328 /nfs/dbraw/zinc/62/03/28/415620328.db2.gz NWXCCHQWMQFGIG-MFKMUULPSA-N 0 1 316.365 0.940 50 0 DCAAMN CCc1nc(CN(C)[C@H]2CCN([C@H](C)C(=O)N(C)C)C2)no1 ZINC000108087702 415674997 /nfs/dbraw/zinc/67/49/97/415674997.db2.gz HFMVXBUTIGHDGH-NEPJUHHUSA-N 0 1 309.414 0.615 50 0 DCAAMN Cc1cc(CNC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)on1 ZINC000188110707 416262616 /nfs/dbraw/zinc/26/26/16/416262616.db2.gz ABBBSVBSOGFYSQ-LBPRGKRZSA-N 0 1 310.398 0.970 50 0 DCAAMN CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](N)c3ccccc3)C2)CC1 ZINC000195554223 416326817 /nfs/dbraw/zinc/32/68/17/416326817.db2.gz ADFRPVMCGVUQIV-DLBZAZTESA-N 0 1 316.449 0.925 50 0 DCAAMN Cc1cncnc1C1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1 ZINC000216166124 416327585 /nfs/dbraw/zinc/32/75/85/416327585.db2.gz ADPXGRCVJUCSEP-OAHLLOKOSA-N 0 1 318.421 0.948 50 0 DCAAMN CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000237156706 416328370 /nfs/dbraw/zinc/32/83/70/416328370.db2.gz UYUODYHWZOZVHG-GJZGRUSLSA-N 0 1 301.390 0.686 50 0 DCAAMN Cc1nnc(SCCNC(=O)c2[nH]nc3c2COCC3)[nH]1 ZINC000243901250 416330590 /nfs/dbraw/zinc/33/05/90/416330590.db2.gz BAKSCJAWDKYLOU-UHFFFAOYSA-N 0 1 308.367 0.431 50 0 DCAAMN Nc1nc(NCCSc2cn[nH]n2)cc([C@H]2CCOC2)n1 ZINC000426546225 416775602 /nfs/dbraw/zinc/77/56/02/416775602.db2.gz PKMISWHMBRFIRN-QMMMGPOBSA-N 0 1 307.383 0.307 50 0 DCAAMN CCCOc1cncc(NC(=O)[C@@]2(N)CCN(C(C)=O)C2)c1 ZINC000638584668 417496620 /nfs/dbraw/zinc/49/66/20/417496620.db2.gz XEIFWWGFKFXVLY-OAHLLOKOSA-N 0 1 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ZINC000091325920 685104549 /nfs/dbraw/zinc/10/45/49/685104549.db2.gz RLBLBQBDHSTGHP-HNNXBMFYSA-N 0 1 305.378 0.578 50 0 DCAAMN C[C@@]1(O)CCN(C(=O)CCN2Cc3ccccc3C2)C[C@@H]1O ZINC000096130707 685111719 /nfs/dbraw/zinc/11/17/19/685111719.db2.gz UXRPPNZLWFIJGZ-DOTOQJQBSA-N 0 1 304.390 0.737 50 0 DCAAMN Cc1nc(N2CCCC2)nc(NC[C@@H]2CN(C)C(=O)CO2)c1C ZINC001704335687 1179978107 /nfs/dbraw/zinc/97/81/07/1179978107.db2.gz QLGVABBQCNNRRW-CYBMUJFWSA-N 0 1 319.409 0.963 50 0 DCAAMN NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000826838683 758848058 /nfs/dbraw/zinc/84/80/58/758848058.db2.gz DPPWCRNUWQXFEY-SNVBAGLBSA-N 0 1 321.343 0.985 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000826838683 758848071 /nfs/dbraw/zinc/84/80/71/758848071.db2.gz DPPWCRNUWQXFEY-SNVBAGLBSA-N 0 1 321.343 0.985 50 0 DCAAMN CC[C@H]1CC[C@H](C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)O1 ZINC000585085760 766273564 /nfs/dbraw/zinc/27/35/64/766273564.db2.gz RLLDIJNHTYGFLA-GXSJLCMTSA-N 0 1 314.363 0.936 50 0 DCAAMN 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/nfs/dbraw/zinc/12/28/91/396122891.db2.gz NTHZKDRBNCSZFR-JKSUJKDBSA-N 0 1 323.437 0.757 50 0 DCAAMN CC(C)COC[C@H](C)NC(=O)NC[C@H]1CN(C)CCN1C ZINC000071897755 396124503 /nfs/dbraw/zinc/12/45/03/396124503.db2.gz KGMCOPBFPGSCQL-KBPBESRZSA-N 0 1 300.447 0.593 50 0 DCAAMN O=C(CCCn1cccn1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000072269014 396128166 /nfs/dbraw/zinc/12/81/66/396128166.db2.gz OFILMCOPBRWIQA-HUUCEWRRSA-N 0 1 306.410 0.721 50 0 DCAAMN Cc1cc(C)n(CCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000072269510 396129134 /nfs/dbraw/zinc/12/91/34/396129134.db2.gz GLZSMOJQNJHFJO-HZPDHXFCSA-N 0 1 320.437 0.948 50 0 DCAAMN CCCCN(C)S(=O)(=O)NC[C@H]1CCCN1CCOC ZINC000069417186 396078245 /nfs/dbraw/zinc/07/82/45/396078245.db2.gz XZRAIEIXYSVRFK-CYBMUJFWSA-N 0 1 307.460 0.664 50 0 DCAAMN CCOc1cc2c(cc1NC(=O)CNC(=O)CN)O[C@@H](C)C2 ZINC000261928958 396080411 /nfs/dbraw/zinc/08/04/11/396080411.db2.gz JEYYWEILLCMXFS-VIFPVBQESA-N 0 1 307.350 0.422 50 0 DCAAMN CCOCCO[C@H](C)C(=O)NCCN1CCC(OC)CC1 ZINC000075106160 396175524 /nfs/dbraw/zinc/17/55/24/396175524.db2.gz NYSNLJVTRFVPLA-CYBMUJFWSA-N 0 1 302.415 0.655 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)CCOCC(F)(F)F)CCO2)n[nH]1 ZINC000076045109 396192588 /nfs/dbraw/zinc/19/25/88/396192588.db2.gz DDEVBMZNVNUALX-VIFPVBQESA-N 0 1 322.287 0.982 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)c3ccc(N(C)C)nn3)CCO2)n[nH]1 ZINC000076045020 396192918 /nfs/dbraw/zinc/19/29/18/396192918.db2.gz ACUJINHPQYQEIK-LLVKDONJSA-N 0 1 317.353 0.183 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)CCO2)n[nH]1 ZINC000076045662 396193022 /nfs/dbraw/zinc/19/30/22/396193022.db2.gz SORGCCZIRXDEAQ-GWCFXTLKSA-N 0 1 317.349 0.876 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@H]1N(C)C ZINC000076051688 396193965 /nfs/dbraw/zinc/19/39/65/396193965.db2.gz PGGLOANQJWUDPO-NXEZZACHSA-N 0 1 300.380 0.705 50 0 DCAAMN O=C(C[C@@H]1COCCN1)Nc1nncn1Cc1ccccc1 ZINC000581248933 396537244 /nfs/dbraw/zinc/53/72/44/396537244.db2.gz JYYDQISFZKYHFG-CYBMUJFWSA-N 0 1 301.350 0.643 50 0 DCAAMN C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1nnc[nH]1 ZINC000267057922 415141180 /nfs/dbraw/zinc/14/11/80/415141180.db2.gz GGMLTZCEANGKME-JTQLQIEISA-N 0 1 302.338 0.527 50 0 DCAAMN C[C@H](NC(=O)N(C)C[C@@H](O)CN1CCN(C)CC1)C(C)(C)C ZINC000095411298 415558389 /nfs/dbraw/zinc/55/83/89/415558389.db2.gz GNSADXZPTLDPDQ-UONOGXRCSA-N 0 1 314.474 0.671 50 0 DCAAMN C[C@@H](Nc1cc(-n2cccn2)nc(N)n1)c1nnc2n1CCC2 ZINC000097115239 415584580 /nfs/dbraw/zinc/58/45/80/415584580.db2.gz FSPDMJREQONHGT-SECBINFHSA-N 0 1 311.353 0.955 50 0 DCAAMN Cc1n[nH]cc1CNCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000097159640 415587554 /nfs/dbraw/zinc/58/75/54/415587554.db2.gz MBBPVIRWNRITHD-QWRGUYRKSA-N 0 1 316.427 0.247 50 0 DCAAMN C[C@@H](CN(C)C(=O)[C@H]1Cc2cccc(F)c2O1)c1nn[nH]n1 ZINC000124579260 415853278 /nfs/dbraw/zinc/85/32/78/415853278.db2.gz GHXBRNYUWTXQJI-GZMMTYOYSA-N 0 1 305.313 0.904 50 0 DCAAMN CN1CCN(CCCNS(N)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000229224308 416328107 /nfs/dbraw/zinc/32/81/07/416328107.db2.gz 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/nfs/dbraw/zinc/81/16/74/417811674.db2.gz XYLUVWWTSMVPTO-SNVBAGLBSA-N 0 1 303.322 0.674 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)C[C@@H](C)N1 ZINC000299738923 287987932 /nfs/dbraw/zinc/98/79/32/287987932.db2.gz IOQNARWKYQEWQI-NFAWXSAZSA-N 0 1 324.446 0.851 50 0 DCAAMN COc1ccc2ncn(CCN3CCC(O)CC3)c(=O)c2c1 ZINC000032581853 278005197 /nfs/dbraw/zinc/00/51/97/278005197.db2.gz MWQKABJHEULYET-UHFFFAOYSA-N 0 1 303.362 0.862 50 0 DCAAMN C[C@@H](C(=O)NC(N)=O)N1CCN(CCc2ccccc2)CC1 ZINC000023249385 278204141 /nfs/dbraw/zinc/20/41/41/278204141.db2.gz PBUWSGGJBSYAJG-ZDUSSCGKSA-N 0 1 304.394 0.430 50 0 DCAAMN CN(C)[C@H]1CCCCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC000082109498 289367857 /nfs/dbraw/zinc/36/78/57/289367857.db2.gz XQAKFZCYJQWRKN-ZDUSSCGKSA-N 0 1 302.440 0.754 50 0 DCAAMN C[N@H+]1CCN2CCN(Cc3ccc(O)c(C(=O)[O-])c3)C[C@H]2C1 ZINC000244605596 290060761 /nfs/dbraw/zinc/06/07/61/290060761.db2.gz FBLQPEYJQITRPA-CYBMUJFWSA-N 0 1 305.378 0.522 50 0 DCAAMN C[C@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@H]1N(C)C ZINC000078896471 300113467 /nfs/dbraw/zinc/11/34/67/300113467.db2.gz JQOSDVFQIFTQME-RYUDHWBXSA-N 0 1 302.440 0.752 50 0 DCAAMN CCN1CCN(CC(=O)N[C@H](CC(C)C)c2ncnn2C)CC1 ZINC000534581077 334289295 /nfs/dbraw/zinc/28/92/95/334289295.db2.gz ZMMXUIOFGDVPCA-CQSZACIVSA-N 0 1 322.457 0.656 50 0 DCAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000670452049 547096721 /nfs/dbraw/zinc/09/67/21/547096721.db2.gz GVAKIMFRBSHIMT-LBPRGKRZSA-N 0 1 308.382 0.652 50 0 DCAAMN O=C([O-])c1n[nH]cc1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000670452049 547096724 /nfs/dbraw/zinc/09/67/24/547096724.db2.gz GVAKIMFRBSHIMT-LBPRGKRZSA-N 0 1 308.382 0.652 50 0 DCAAMN CC(C)C1=NO[C@@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1 ZINC000670461393 547098665 /nfs/dbraw/zinc/09/86/65/547098665.db2.gz GHHLNNVGZZSPRL-GFCCVEGCSA-N 0 1 306.370 0.250 50 0 DCAAMN CCc1nc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccn(C)c3)C2)n[nH]1 ZINC000685943097 548747792 /nfs/dbraw/zinc/74/77/92/548747792.db2.gz 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/nfs/dbraw/zinc/59/81/18/685598118.db2.gz AVMUOIXAJGZTNS-HNNXBMFYSA-N 0 1 319.405 0.781 50 0 DCAAMN CNCc1cn(CC2CCN(C(=O)[C@@H]3CCOC3)CC2)nn1 ZINC000023399291 685052493 /nfs/dbraw/zinc/05/24/93/685052493.db2.gz NQSANWGJWBKLPN-CYBMUJFWSA-N 0 1 307.398 0.273 50 0 DCAAMN COCc1noc(CNc2nc(N(C)C)nc3c2CCNC3)n1 ZINC000067740389 685069429 /nfs/dbraw/zinc/06/94/29/685069429.db2.gz JUICXVYSUMBHIH-UHFFFAOYSA-N 0 1 319.369 0.330 50 0 DCAAMN CCC[C@H]1C[N@@H+](CC(=O)[O-])C[C@@H]1NC(=O)Cn1ccccc1=O ZINC000091548492 685105651 /nfs/dbraw/zinc/10/56/51/685105651.db2.gz AKTNJDVBPNPNBV-STQMWFEESA-N 0 1 321.377 0.150 50 0 DCAAMN CCc1c(C)nn(CC(=O)N2C[C@@H]3COC[C@H](C2)N(C)C3)c1C ZINC001704330848 1179975391 /nfs/dbraw/zinc/97/53/91/1179975391.db2.gz LCNVDNHDLMBYGV-CABCVRRESA-N 0 1 320.437 0.851 50 0 DCAAMN Cc1ncc(CN(CCO)C(=O)CN(C)Cc2ccncc2)[nH]1 ZINC001704336847 1179977934 /nfs/dbraw/zinc/97/79/34/1179977934.db2.gz SCLZLRNWJKDYLH-UHFFFAOYSA-N 0 1 317.393 0.566 50 0 DCAAMN 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0.476 50 0 DCAAMN O=C(NCc1cc2n(n1)CCNC2)c1ccccc1-n1cncn1 ZINC000082137395 192360967 /nfs/dbraw/zinc/36/09/67/192360967.db2.gz OHROPZGIJUAWGE-UHFFFAOYSA-N 0 1 323.360 0.497 50 0 DCAAMN CNS(=O)(=O)CCCN(C)[C@H](CO)c1cccc(F)c1 ZINC000095395050 185352386 /nfs/dbraw/zinc/35/23/86/185352386.db2.gz PJJMFKVVZIWIAK-CYBMUJFWSA-N 0 1 304.387 0.730 50 0 DCAAMN COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1nnc2ccccc2c1O ZINC000152456574 186075204 /nfs/dbraw/zinc/07/52/04/186075204.db2.gz KDIMQSOJEDWPCE-QWRGUYRKSA-N 0 1 315.329 0.995 50 0 DCAAMN Cc1nc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c[nH]1 ZINC000072421940 191158459 /nfs/dbraw/zinc/15/84/59/191158459.db2.gz VSPMKKCDYLXSER-DZGCQCFKSA-N 0 1 306.410 0.913 50 0 DCAAMN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CNCCO1 ZINC000237009579 202120788 /nfs/dbraw/zinc/12/07/88/202120788.db2.gz MUVOJOQOXHWAHB-ZDUSSCGKSA-N 0 1 316.361 0.260 50 0 DCAAMN COC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)CN1C(=O)OC ZINC000001275872 291189371 /nfs/dbraw/zinc/18/93/71/291189371.db2.gz MMZZRSKYKIOHML-QWRGUYRKSA-N 0 1 301.343 0.267 50 0 DCAAMN COc1cccc(CCNC(=O)CN2CCN(C)C[C@@H]2C)c1 ZINC000089939057 192912103 /nfs/dbraw/zinc/91/21/03/192912103.db2.gz JMHKURCGSWQRKI-AWEZNQCLSA-N 0 1 305.422 0.990 50 0 DCAAMN O=C(NCCc1cnc[nH]1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000091518837 193068297 /nfs/dbraw/zinc/06/82/97/193068297.db2.gz NKKXNHMLDLVDEW-CYBMUJFWSA-N 0 1 313.361 0.512 50 0 DCAAMN O=C(c1ccn[nH]1)N1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091594646 193077633 /nfs/dbraw/zinc/07/76/33/193077633.db2.gz QOSFIJVTJWYSIG-UHFFFAOYSA-N 0 1 320.393 0.637 50 0 DCAAMN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1ncc[nH]1)CC2 ZINC000091644422 193084194 /nfs/dbraw/zinc/08/41/94/193084194.db2.gz WVBDSLCWSRTDEF-LBPRGKRZSA-N 0 1 306.366 0.697 50 0 DCAAMN Cc1nc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@]3(C(=O)[O-])C2)c(C)o1 ZINC000091907934 193124612 /nfs/dbraw/zinc/12/46/12/193124612.db2.gz PTCIFDUZTSPULI-NHYWBVRUSA-N 0 1 307.350 0.770 50 0 DCAAMN Nc1nccc(N2C[C@H]3C[N@@H+](CC4CCC4)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096153439 193554387 /nfs/dbraw/zinc/55/43/87/193554387.db2.gz PMRPIWLNVYHKRS-MLGOLLRUSA-N 0 1 317.393 0.682 50 0 DCAAMN O=S1(=O)C[C@H](O)[C@H](N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000022787031 182335184 /nfs/dbraw/zinc/33/51/84/182335184.db2.gz NZYRXLCDZBUGLI-KFWWJZLASA-N 0 1 310.419 0.008 50 0 DCAAMN CC(C)[C@H](CNC(=O)[C@@H](C)n1cncn1)N1CCN(C)CC1 ZINC000042582862 183286721 /nfs/dbraw/zinc/28/67/21/183286721.db2.gz AEAHNJNIXDMMPG-KGLIPLIRSA-N 0 1 308.430 0.227 50 0 DCAAMN CC(C)[C@H](CNC(=O)[C@H](C)n1cncn1)N1CCN(C)CC1 ZINC000042582866 183286960 /nfs/dbraw/zinc/28/69/60/183286960.db2.gz AEAHNJNIXDMMPG-KBPBESRZSA-N 0 1 308.430 0.227 50 0 DCAAMN C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC(n2cncn2)CC1 ZINC000058166848 184083229 /nfs/dbraw/zinc/08/32/29/184083229.db2.gz RXZVPISHIREZIU-NSHDSACASA-N 0 1 322.413 0.928 50 0 DCAAMN CCn1cncc1C[N@H+]1C[C@@H]2CN(C(C)=O)C[C@]2(C(=O)[O-])C1 ZINC000065408897 184339532 /nfs/dbraw/zinc/33/95/32/184339532.db2.gz DDZFNEJGMPKLMT-IUODEOHRSA-N 0 1 306.366 0.268 50 0 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300.322 0.836 50 0 DCAAMN COc1cccc(CNC(=O)CN(C[C@H](C)O)[C@@H](C)CO)c1 ZINC000190808196 396412017 /nfs/dbraw/zinc/41/20/17/396412017.db2.gz AFVUBKBRORSHBT-STQMWFEESA-N 0 1 310.394 0.375 50 0 DCAAMN COCCCCN1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC000584894328 396634406 /nfs/dbraw/zinc/63/44/06/396634406.db2.gz VCOCCAWRAJIEOM-UHFFFAOYSA-N 0 1 307.394 0.419 50 0 DCAAMN C[C@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000375855956 396833976 /nfs/dbraw/zinc/83/39/76/396833976.db2.gz DMDVOMOFSWVVDX-OIYCOIKZSA-N 0 1 323.437 0.611 50 0 DCAAMN O=C(CN1CCC[C@H]1Cc1ccccc1)N1CCNC(=O)C1 ZINC000025359671 415161264 /nfs/dbraw/zinc/16/12/64/415161264.db2.gz XPTPXLLHQQSTAF-HNNXBMFYSA-N 0 1 301.390 0.652 50 0 DCAAMN CN1CCN(c2nc(CSc3ncccn3)cc(=O)[nH]2)CC1 ZINC000009050395 415144509 /nfs/dbraw/zinc/14/45/09/415144509.db2.gz XYYVHNWSSSMCMR-UHFFFAOYSA-N 0 1 318.406 0.604 50 0 DCAAMN O=c1cc(CO)oc(CN2CCN(C3CCOCC3)CC2)c1O ZINC000079481564 415475959 /nfs/dbraw/zinc/47/59/59/415475959.db2.gz UUSYKRVUNDBDHF-UHFFFAOYSA-N 0 1 324.377 0.134 50 0 DCAAMN CCN(CC(=O)NC[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(C)C ZINC000096424245 415575906 /nfs/dbraw/zinc/57/59/06/415575906.db2.gz YOONQVIQFPDLQN-QWHCGFSZSA-N 0 1 304.456 0.904 50 0 DCAAMN Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCN(C)C1 ZINC000095954117 415561950 /nfs/dbraw/zinc/56/19/50/415561950.db2.gz ITBFUHAHNOTIFO-NSHDSACASA-N 0 1 311.407 0.466 50 0 DCAAMN Cc1nc(C[C@@H]2CCCN(CCN3C(=O)CCC3=O)C2)no1 ZINC000095958188 415568323 /nfs/dbraw/zinc/56/83/23/415568323.db2.gz BCAYOYMFQAFAIT-LBPRGKRZSA-N 0 1 306.366 0.782 50 0 DCAAMN O=C(C[C@@H]1CCc2ccccc21)NCC(=O)N1CCNCC1 ZINC000097172855 415587935 /nfs/dbraw/zinc/58/79/35/415587935.db2.gz GJQZEIBYCNRTIE-AWEZNQCLSA-N 0 1 301.390 0.655 50 0 DCAAMN CC(C)OCCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097147520 415588081 /nfs/dbraw/zinc/58/80/81/415588081.db2.gz YNNNLMCMJQMPEP-UHFFFAOYSA-N 0 1 318.483 0.996 50 0 DCAAMN C[C@H](O)CN1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@@H]1C ZINC000106929152 415656884 /nfs/dbraw/zinc/65/68/84/415656884.db2.gz YMBKNRDJKVHOFV-STQMWFEESA-N 0 1 309.454 0.678 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000125090008 415859670 /nfs/dbraw/zinc/85/96/70/415859670.db2.gz IGMZXVJDHRGFLC-LLVKDONJSA-N 0 1 301.350 0.002 50 0 DCAAMN Cn1cc([C@@H]2C[N@@H+](CCc3ccccn3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299776536 416066693 /nfs/dbraw/zinc/06/66/93/416066693.db2.gz CORRSIQIDJKHOK-GXTWGEPZSA-N 0 1 315.377 0.943 50 0 DCAAMN CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)CCn1cnnn1 ZINC000299794553 416069530 /nfs/dbraw/zinc/06/95/30/416069530.db2.gz KKZZCCAYYUSLOQ-UHFFFAOYSA-N 0 1 317.328 0.780 50 0 DCAAMN C[C@H](O)CN1CCN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C ZINC000247401140 416332734 /nfs/dbraw/zinc/33/27/34/416332734.db2.gz YMBKNRDJKVHOFV-OLZOCXBDSA-N 0 1 309.454 0.678 50 0 DCAAMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n[nH]1 ZINC000585114765 416519093 /nfs/dbraw/zinc/51/90/93/416519093.db2.gz XVPHUCPKQCAQBX-SECBINFHSA-N 0 1 311.411 0.978 50 0 DCAAMN CN1C(=O)C[C@H](C(=O)N2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000237062232 273864056 /nfs/dbraw/zinc/86/40/56/273864056.db2.gz XBDSJFLATDIBMO-DZGCQCFKSA-N 0 1 305.353 0.777 50 0 DCAAMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)NC(N)=O ZINC000026298668 274275821 /nfs/dbraw/zinc/27/58/21/274275821.db2.gz IHYKXKHYYWUYHL-JTQLQIEISA-N 0 1 302.338 0.455 50 0 DCAAMN CN(C)CC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091643821 276755584 /nfs/dbraw/zinc/75/55/84/276755584.db2.gz ORAXPZNHJSDEQE-UHFFFAOYSA-N 0 1 302.378 0.973 50 0 DCAAMN CN(C)c1ncnc2c1CCN(C(=O)CN1CCCCC1)C2 ZINC000072157231 276815619 /nfs/dbraw/zinc/81/56/19/276815619.db2.gz SVOUWGWGHDQJDR-UHFFFAOYSA-N 0 1 303.410 0.913 50 0 DCAAMN C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000229594299 279218179 /nfs/dbraw/zinc/21/81/79/279218179.db2.gz WNFOXZFGTKIXAK-CHWSQXEVSA-N 0 1 324.425 0.684 50 0 DCAAMN C[N@H+]1CCN2CCN(Cc3ccc(O)c(C(=O)[O-])c3)C[C@@H]2C1 ZINC000065371998 290060738 /nfs/dbraw/zinc/06/07/38/290060738.db2.gz FBLQPEYJQITRPA-ZDUSSCGKSA-N 0 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/nfs/dbraw/zinc/08/18/96/671081896.db2.gz SMEPGSNFZWFHGI-NEPJUHHUSA-N 0 1 314.411 0.739 50 0 DCAAMN CN1CCN(c2cnn(CCC(=O)N3CCCC3)c(=O)c2)CC1 ZINC000019791012 685052031 /nfs/dbraw/zinc/05/20/31/685052031.db2.gz ZIOKBSXBJCOLGA-UHFFFAOYSA-N 0 1 319.409 0.008 50 0 DCAAMN C=CCN1C[C@@]2(C(=O)[O-])C[N@H+](Cc3ccncc3)C[C@H]2C1=O ZINC000077298262 685079803 /nfs/dbraw/zinc/07/98/03/685079803.db2.gz AYTRPYFDWKPCRP-BBRMVZONSA-N 0 1 301.346 0.613 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3c(C)ncnc3C)C[C@H]2O)n[nH]1 ZINC001704278270 1179959237 /nfs/dbraw/zinc/95/92/37/1179959237.db2.gz JBXBIPYYULSPMH-TZMCWYRMSA-N 0 1 315.377 0.801 50 0 DCAAMN CNc1ncc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cn1 ZINC001704298732 1179965077 /nfs/dbraw/zinc/96/50/77/1179965077.db2.gz MMGCAYCPFSJPLY-CZUORRHYSA-N 0 1 319.409 0.437 50 0 DCAAMN CC1CCN(CC(=O)N2C[C@@H](Cc3cnccn3)[C@H](O)C2)CC1 ZINC001704354344 1179982759 /nfs/dbraw/zinc/98/27/59/1179982759.db2.gz CMCVAMFGLXVPDU-GDBMZVCRSA-N 0 1 318.421 0.570 50 0 DCAAMN 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ZINC000237086946 202148587 /nfs/dbraw/zinc/14/85/87/202148587.db2.gz FJYRGRWESIHTJP-LLVKDONJSA-N 0 1 300.362 0.995 50 0 DCAAMN COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237152723 202169208 /nfs/dbraw/zinc/16/92/08/202169208.db2.gz KLJCGPCIUUYUQH-CYBMUJFWSA-N 0 1 306.362 0.903 50 0 DCAAMN COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000237152723 202169212 /nfs/dbraw/zinc/16/92/12/202169212.db2.gz KLJCGPCIUUYUQH-CYBMUJFWSA-N 0 1 306.362 0.903 50 0 DCAAMN O=S(=O)(NC[C@H](O)CN1CCCCC1)N1CCCCC1 ZINC000158900818 237066714 /nfs/dbraw/zinc/06/67/14/237066714.db2.gz NIZUOANUIPKOKW-ZDUSSCGKSA-N 0 1 305.444 0.154 50 0 DCAAMN C[C@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CCN1 ZINC000237634843 202312586 /nfs/dbraw/zinc/31/25/86/202312586.db2.gz LBGYLQAYXFRNPW-NTYUQYKDSA-N 0 1 303.362 0.384 50 0 DCAAMN Cn1c(CCNC(=O)[C@@H]2CNCCO2)nc2c1cccc2F ZINC000237735602 202342739 /nfs/dbraw/zinc/34/27/39/202342739.db2.gz ZPLFPADECZBFON-LBPRGKRZSA-N 0 1 306.341 0.360 50 0 DCAAMN O=c1cc(CN2C[C@@H](CO)[C@H](CO)C2)[nH]c2c(F)cccc12 ZINC000091595510 193077687 /nfs/dbraw/zinc/07/76/87/193077687.db2.gz ATZNJANZXZCEGS-QWRGUYRKSA-N 0 1 306.337 0.700 50 0 DCAAMN Cc1ccc(C(=O)N[C@@H](C)c2nn[nH]n2)cc1N1CCNC1=O ZINC000091665086 193088176 /nfs/dbraw/zinc/08/81/76/193088176.db2.gz ICRDFNFZXALDMR-VIFPVBQESA-N 0 1 315.337 0.529 50 0 DCAAMN O=C(c1ccncc1)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000094132966 193346406 /nfs/dbraw/zinc/34/64/06/193346406.db2.gz XGYMXJVNCGCRBH-UHFFFAOYSA-N 0 1 309.333 0.710 50 0 DCAAMN Cc1ccccc1CS(=O)(=O)NCCN1CCN(C)CC1 ZINC000020727544 182244191 /nfs/dbraw/zinc/24/41/91/182244191.db2.gz HTQKGYVGCNHYOC-UHFFFAOYSA-N 0 1 311.451 0.662 50 0 DCAAMN COc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCNCC2)cc1 ZINC000022592490 182327208 /nfs/dbraw/zinc/32/72/08/182327208.db2.gz JAYMMYDFVQTQMC-ZDUSSCGKSA-N 0 1 307.350 0.382 50 0 DCAAMN O=S1(=O)C[C@H](O)[C@@H](N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000022921575 182341373 /nfs/dbraw/zinc/34/13/73/182341373.db2.gz 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/nfs/dbraw/zinc/34/19/45/184341945.db2.gz QUQYPNWTXIOJLG-UHFFFAOYSA-N 0 1 322.394 0.519 50 0 DCAAMN CCN1C[C@H](Nc2nc(N)[nH+]c3ccc(C(=O)[O-])cc32)CC1=O ZINC000065459891 184348630 /nfs/dbraw/zinc/34/86/30/184348630.db2.gz YHLVKZFGKQYXSE-SECBINFHSA-N 0 1 315.333 0.943 50 0 DCAAMN CCOC1CCN(C(=O)CN(C)c2ncnc3[nH]cnc32)CC1 ZINC000065553004 184365756 /nfs/dbraw/zinc/36/57/56/184365756.db2.gz CPKUQKJXUAYOCY-UHFFFAOYSA-N 0 1 318.381 0.817 50 0 DCAAMN O=C([O-])Cn1nccc1[C@@H]1CCC[N@@H+](CCn2cnnc2)C1 ZINC000426647000 257244967 /nfs/dbraw/zinc/24/49/67/257244967.db2.gz GZOIGVWDPFWROG-GFCCVEGCSA-N 0 1 304.354 0.439 50 0 DCAAMN C[N@H+]1CC[C@@H](NC(=O)NCC(N)=O)[C@@H](Cc2ccccc2)C1 ZINC000426589807 257245955 /nfs/dbraw/zinc/24/59/55/257245955.db2.gz QYKGNMFFZHMEDX-UONOGXRCSA-N 0 1 304.394 0.334 50 0 DCAAMN C[C@H](C(=O)NCc1nc(-c2cnccn2)n[nH]1)N1CCCCC1 ZINC000426399460 257251751 /nfs/dbraw/zinc/25/17/51/257251751.db2.gz UMUNDTRJAVOYIT-LLVKDONJSA-N 0 1 315.381 0.752 50 0 DCAAMN CCn1cc(S(=O)(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cn1 ZINC000257366055 257256951 /nfs/dbraw/zinc/25/69/51/257256951.db2.gz HSYBLVFYODAFGQ-YPMHNXCESA-N 0 1 300.428 0.910 50 0 DCAAMN COc1ccc(OC)c([C@@H](O)CN2CCN(C[C@H](C)O)CC2)c1 ZINC000071877152 184882461 /nfs/dbraw/zinc/88/24/61/184882461.db2.gz ZYSORTXSVMNVFV-BBRMVZONSA-N 0 1 324.421 0.736 50 0 DCAAMN CCCCN1C(=O)[N-]C(=O)C(=C(C)NN2CC[NH+](C)CC2)C1=O ZINC000009328084 395685304 /nfs/dbraw/zinc/68/53/04/395685304.db2.gz GIMAIWWVYYEEPZ-VAWYXSNFSA-N 0 1 323.397 0.731 50 0 DCAAMN CN(C)[C@@H](CNc1nn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000012750340 395687979 /nfs/dbraw/zinc/68/79/79/395687979.db2.gz ZMLFLLQUBWHDGK-LBPRGKRZSA-N 0 1 303.366 0.194 50 0 DCAAMN CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCCCC1 ZINC000014705109 395689578 /nfs/dbraw/zinc/68/95/78/395689578.db2.gz BONFXGIUEYNTCX-UHFFFAOYSA-N 0 1 322.409 0.504 50 0 DCAAMN CNC(=O)NC(=O)CCN1CCN(Cc2ccsc2)CC1 ZINC000029964961 395701564 /nfs/dbraw/zinc/70/15/64/395701564.db2.gz JLBZEENJCGYWSZ-UHFFFAOYSA-N 0 1 310.423 0.711 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)[C@@H](C)n3cccn3)CCO2)n[nH]1 ZINC000095402168 395740609 /nfs/dbraw/zinc/74/06/09/395740609.db2.gz GHAGGBGHASTIDS-MNOVXSKESA-N 0 1 304.354 0.725 50 0 DCAAMN CCc1nc(C)c(CC(=O)N2CCc3nc[nH]c3C2)c(=O)[nH]1 ZINC000096163510 395746957 /nfs/dbraw/zinc/74/69/57/395746957.db2.gz WTJQEIQYVLXAJW-UHFFFAOYSA-N 0 1 301.350 0.491 50 0 DCAAMN COc1ccc(CNc2c(=O)c(=O)c2NCCN(C)C)cc1 ZINC000101691023 395766489 /nfs/dbraw/zinc/76/64/89/395766489.db2.gz FVVYMRISRURZTP-UHFFFAOYSA-N 0 1 303.362 0.877 50 0 DCAAMN C[C@H]1CN(C)CCCN1C(=O)CSc1nnc(N)s1 ZINC000219039048 395843871 /nfs/dbraw/zinc/84/38/71/395843871.db2.gz RZLTVMABQZYJDK-QMMMGPOBSA-N 0 1 301.441 0.765 50 0 DCAAMN Cc1ccnn1CCC(=O)N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000222414520 395852594 /nfs/dbraw/zinc/85/25/94/395852594.db2.gz QAACWRMLCLNSQD-INIZCTEOSA-N 0 1 320.437 0.887 50 0 DCAAMN C[C@@H]1CN(Cc2ccccc2NCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000055870349 395923062 /nfs/dbraw/zinc/92/30/62/395923062.db2.gz 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/nfs/dbraw/zinc/03/42/89/396034289.db2.gz GAKYEPXPUIMBGR-GOEBONIOSA-N 0 1 314.389 0.643 50 0 DCAAMN O=C(NCc1n[nH]c2c1CCC2)c1ccc(Cn2cnnn2)cc1 ZINC000067872408 396036882 /nfs/dbraw/zinc/03/68/82/396036882.db2.gz HJCXBDGNLOKVGR-UHFFFAOYSA-N 0 1 323.360 0.863 50 0 DCAAMN COc1ccccc1CNC(=O)CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000069844285 396091952 /nfs/dbraw/zinc/09/19/52/396091952.db2.gz OESQHUFATLYIBF-TZMCWYRMSA-N 0 1 319.405 0.897 50 0 DCAAMN CCc1nc(N2CC[C@@H](N3CCN(C)CC3)[C@H](O)C2)ncc1C ZINC000071523620 396114669 /nfs/dbraw/zinc/11/46/69/396114669.db2.gz SPVDOPCBHUVPJJ-HZPDHXFCSA-N 0 1 319.453 0.534 50 0 DCAAMN Cc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)n(C)n1 ZINC000071818889 396115942 /nfs/dbraw/zinc/11/59/42/396115942.db2.gz ZRPOZTPBIGBONP-UHFFFAOYSA-N 0 1 306.410 0.913 50 0 DCAAMN O=C(Cn1nc2ccccn2c1=O)N1CCN2CCCC[C@H]2C1 ZINC000071839841 396118372 /nfs/dbraw/zinc/11/83/72/396118372.db2.gz BDDBCKUCCXYGBM-ZDUSSCGKSA-N 0 1 315.377 0.193 50 0 DCAAMN 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RMINARGDGYSBSC-QWRGUYRKSA-N 0 1 302.396 0.788 50 0 DCAAMN C[C@@H](O)[C@H](N)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 ZINC000082091855 396310968 /nfs/dbraw/zinc/31/09/68/396310968.db2.gz LKDHCJMQACTFQU-RNCFNFMXSA-N 0 1 311.769 0.223 50 0 DCAAMN Cc1[nH]nc2c1CN(C(=O)c1cnc3ccccn3c1=O)CC2 ZINC000584900773 396636540 /nfs/dbraw/zinc/63/65/40/396636540.db2.gz VKBFFYYSHBYDDU-UHFFFAOYSA-N 0 1 309.329 0.925 50 0 DCAAMN C[C@@H](C(=O)N(C)Cc1ccc2c(c1)CN(C)C2)n1cnnn1 ZINC000584904109 396637742 /nfs/dbraw/zinc/63/77/42/396637742.db2.gz FHWFYPGGAVFDRX-NSHDSACASA-N 0 1 300.366 0.838 50 0 DCAAMN O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCn2cccn2)[N@@H+]1C1CC1 ZINC000630657883 397072854 /nfs/dbraw/zinc/07/28/54/397072854.db2.gz WINYRIUTFMFYHE-OLZOCXBDSA-N 0 1 306.366 0.469 50 0 DCAAMN O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCn2cccn2)[N@H+]1C1CC1 ZINC000630657883 397072858 /nfs/dbraw/zinc/07/28/58/397072858.db2.gz WINYRIUTFMFYHE-OLZOCXBDSA-N 0 1 306.366 0.469 50 0 DCAAMN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCNC[C@@H]2C)cc1 ZINC000606441814 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/nfs/dbraw/zinc/13/38/51/289133851.db2.gz MZVSSWUTCFPGOX-CYBMUJFWSA-N 0 1 324.425 0.797 50 0 DCAAMN CN(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000072121597 289133853 /nfs/dbraw/zinc/13/38/53/289133853.db2.gz MZVSSWUTCFPGOX-CYBMUJFWSA-N 0 1 324.425 0.797 50 0 DCAAMN CCN1CCN(CC(=O)N[C@@H](CC(C)C)c2ncnn2C)CC1 ZINC000534581074 334289312 /nfs/dbraw/zinc/28/93/12/334289312.db2.gz ZMMXUIOFGDVPCA-AWEZNQCLSA-N 0 1 322.457 0.656 50 0 DCAAMN C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@H](C)N1 ZINC000153787290 534303629 /nfs/dbraw/zinc/30/36/29/534303629.db2.gz BZQVRZAEDMGPRS-BETUJISGSA-N 0 1 314.389 0.995 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@@H](C)N1 ZINC000153866866 534424846 /nfs/dbraw/zinc/42/48/46/534424846.db2.gz CFCGMVJDKUCXJV-RKDXNWHRSA-N 0 1 302.334 0.039 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])o1 ZINC000156966446 522275718 /nfs/dbraw/zinc/27/57/18/522275718.db2.gz YQXCLIUGKVWRRH-UWVGGRQHSA-N 0 1 315.395 0.387 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000124644036 525091793 /nfs/dbraw/zinc/09/17/93/525091793.db2.gz ROEOAXGZOSSNLV-HWPZZCPQSA-N 0 1 316.361 0.175 50 0 DCAAMN CCCN(C(=O)c1ccc2[nH]nnc2c1)[C@@H]1CC(=O)N(C)C1=O ZINC000283702862 535242398 /nfs/dbraw/zinc/24/23/98/535242398.db2.gz YNEDIYYLNYUQOT-GFCCVEGCSA-N 0 1 315.333 0.567 50 0 DCAAMN CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(CCn2cncn2)C1 ZINC000083867881 545699032 /nfs/dbraw/zinc/69/90/32/545699032.db2.gz LRSWAKKTTCPJPD-ZDUSSCGKSA-N 0 1 317.397 0.745 50 0 DCAAMN COc1ccc(C(=O)NCCN2CCCC[C@H]2CO)c(OC)n1 ZINC000670462338 547099507 /nfs/dbraw/zinc/09/95/07/547099507.db2.gz SCHYZJWGZZXBIT-LBPRGKRZSA-N 0 1 323.393 0.675 50 0 DCAAMN CN(C)C(=O)c1cncc(N2CCC[C@@H](c3nc[nH]n3)C2)n1 ZINC000670467076 547100684 /nfs/dbraw/zinc/10/06/84/547100684.db2.gz FNDLXZXCRBOZKC-SNVBAGLBSA-N 0 1 301.354 0.681 50 0 DCAAMN Cc1nccn1CCC[N@H+]1C[C@H](C(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000685940321 548746058 /nfs/dbraw/zinc/74/60/58/548746058.db2.gz DPZLZASZQPEREO-KGLIPLIRSA-N 0 1 322.409 0.835 50 0 DCAAMN COCCn1cncc1CNC(=O)CSc1nnc(C)[nH]1 ZINC000299779414 659643730 /nfs/dbraw/zinc/64/37/30/659643730.db2.gz VLBQOLZAJFSHSM-UHFFFAOYSA-N 0 1 310.383 0.365 50 0 DCAAMN CCN1CCN(CC(=O)N[C@H](C)c2nncn2C(C)C)CC1 ZINC000299794059 659648002 /nfs/dbraw/zinc/64/80/02/659648002.db2.gz IMTHEBKTQZIVQV-CYBMUJFWSA-N 0 1 308.430 0.674 50 0 DCAAMN CO[C@H](C)C(=O)N1CCC(CNC(=O)CN2CCCC2)CC1 ZINC000952972958 685599922 /nfs/dbraw/zinc/59/99/22/685599922.db2.gz VUZBAWVEVUDVPR-CYBMUJFWSA-N 0 1 311.426 0.472 50 0 DCAAMN COc1ccccc1-c1[nH]c2c(c1O)n(C)c(=O)n(C)c2=O ZINC000000456504 685047486 /nfs/dbraw/zinc/04/74/86/685047486.db2.gz SYIGVRDFWLUILT-UHFFFAOYSA-N 0 1 301.302 0.947 50 0 DCAAMN Cc1ccccc1C(=O)N1C[C@H]2COC[C@@H]1C[N@@H+](CC(=O)[O-])C2 ZINC001704305554 1179967814 /nfs/dbraw/zinc/96/78/14/1179967814.db2.gz XQMJLWKSAQASBR-KBPBESRZSA-N 0 1 318.373 0.852 50 0 DCAAMN CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)c(F)c1)C2 ZINC001704332096 1179976392 /nfs/dbraw/zinc/97/63/92/1179976392.db2.gz ORFQJIGZJBVYLL-OLZOCXBDSA-N 0 1 308.353 0.863 50 0 DCAAMN CNC(=O)CC[N@H+]1CC[C@](Cc2ccccc2)(C(=O)[O-])[C@@H](O)C1 ZINC001704334338 1179977314 /nfs/dbraw/zinc/97/73/14/1179977314.db2.gz HYILVXLWXRAPTI-WMLDXEAASA-N 0 1 320.389 0.503 50 0 DCAAMN CN(C)c1ncc(C=CC(=O)NCCSc2cn[nH]n2)cn1 ZINC000827603858 758870912 /nfs/dbraw/zinc/87/09/12/758870912.db2.gz OCVGBMRWAGYYRJ-ONEGZZNKSA-N 0 1 319.394 0.582 50 0 DCAAMN O=c1ccncn1CC1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000585639040 768082157 /nfs/dbraw/zinc/08/21/57/768082157.db2.gz XZDGXMIFELSLDJ-UHFFFAOYSA-N 0 1 311.349 0.826 50 0 DCAAMN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN[C@H](CCO)C1 ZINC000952884296 768951922 /nfs/dbraw/zinc/95/19/22/768951922.db2.gz ZHIFJNWABZJJGJ-MJBXVCDLSA-N 0 1 300.399 0.143 50 0 DCAAMN Cc1cc(C[C@@H]2C[N@@H+](Cc3c[nH]nc3C(=O)[O-])C[C@@H]2O)on1 ZINC001529125972 1014500435 /nfs/dbraw/zinc/50/04/35/1014500435.db2.gz GIBVCMOGBPPRJU-SKDRFNHKSA-N 0 1 306.322 0.440 50 0 DCAAMN 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0.766 50 0 DCAAMN O=C([O-])[C@H]1c2[nH]cnc2CCN1C(=O)CC[NH+]1CCCCC1 ZINC000072418201 191157087 /nfs/dbraw/zinc/15/70/87/191157087.db2.gz NRHKIFSGAPOXRO-CQSZACIVSA-N 0 1 306.366 0.796 50 0 DCAAMN Cc1cc(C(=O)N2CCC(C(=O)[O-])(n3cc[nH+]c3C)CC2)[nH]n1 ZINC000072422973 191158518 /nfs/dbraw/zinc/15/85/18/191158518.db2.gz QSSHQMFNNJWEGB-UHFFFAOYSA-N 0 1 317.349 0.939 50 0 DCAAMN Cc1cc(C(=O)N2CCC(C(=O)[O-])(n3cc[nH+]c3C)CC2)n[nH]1 ZINC000072422973 191158520 /nfs/dbraw/zinc/15/85/20/191158520.db2.gz QSSHQMFNNJWEGB-UHFFFAOYSA-N 0 1 317.349 0.939 50 0 DCAAMN O=C([O-])[C@@]12CNC(=O)[C@@H]1C[N@@H+](Cc1nc3ccccc3[nH]1)C2 ZINC000072429000 191161250 /nfs/dbraw/zinc/16/12/50/191161250.db2.gz MTXAQFYGDKQAKD-BJOHPYRUSA-N 0 1 300.318 0.196 50 0 DCAAMN CC(C)=CC(=O)N1C[C@H]2C[N@H+](Cc3ncc[nH]3)C[C@@]2(C(=O)[O-])C1 ZINC000091593495 193076388 /nfs/dbraw/zinc/07/63/88/193076388.db2.gz IXSLFCVUWZWJEN-MLGOLLRUSA-N 0 1 318.377 0.721 50 0 DCAAMN CC(C)=CC(=O)N1C[C@H]2C[N@@H+](Cc3ncc[nH]3)C[C@@]2(C(=O)[O-])C1 ZINC000091593495 193076390 /nfs/dbraw/zinc/07/63/90/193076390.db2.gz IXSLFCVUWZWJEN-MLGOLLRUSA-N 0 1 318.377 0.721 50 0 DCAAMN COc1ccccc1OC1CN(C(=O)C[C@@H]2COCCN2)C1 ZINC000091873332 193120806 /nfs/dbraw/zinc/12/08/06/193120806.db2.gz SZYMCKKDDSPLSI-GFCCVEGCSA-N 0 1 306.362 0.663 50 0 DCAAMN CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000091951770 193130919 /nfs/dbraw/zinc/13/09/19/193130919.db2.gz KLWQMYNXIMAEKM-LSDHHAIUSA-N 0 1 324.450 0.784 50 0 DCAAMN C[N@H+]1CC[C@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@]2(C(=O)[O-])C1 ZINC000092002836 193139657 /nfs/dbraw/zinc/13/96/57/193139657.db2.gz DTZUSWCLFLSEAP-BBRMVZONSA-N 0 1 320.393 0.597 50 0 DCAAMN COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1ccc(OC)o1 ZINC000020109918 182187790 /nfs/dbraw/zinc/18/77/90/182187790.db2.gz IKMFUKBECAPUGN-SNVBAGLBSA-N 0 1 305.290 0.751 50 0 DCAAMN Cc1ccc(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCNCC2)c(C)c1 ZINC000022461863 182322353 /nfs/dbraw/zinc/32/23/53/182322353.db2.gz JRWHLCRBVLSWNE-CQSZACIVSA-N 0 1 305.378 0.990 50 0 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CKKRLUCYHAFXRL-GFCCVEGCSA-N 0 1 301.354 0.273 50 0 DCAAMN O=C(NCc1nn[n-]n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426361876 257253016 /nfs/dbraw/zinc/25/30/16/257253016.db2.gz CKKRLUCYHAFXRL-GFCCVEGCSA-N 0 1 301.354 0.273 50 0 DCAAMN O=C(NCc1nn[n-]n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426361876 257253017 /nfs/dbraw/zinc/25/30/17/257253017.db2.gz CKKRLUCYHAFXRL-GFCCVEGCSA-N 0 1 301.354 0.273 50 0 DCAAMN CCOc1ncccc1C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000071867494 184876505 /nfs/dbraw/zinc/87/65/05/184876505.db2.gz VIGAEAQTHMSUKQ-ZDUSSCGKSA-N 0 1 306.410 0.846 50 0 DCAAMN CCN1CCN(c2nc(NCCOC)nc3c2cnn3C)CC1 ZINC000021930062 134653623 /nfs/dbraw/zinc/65/36/23/134653623.db2.gz VCBMXPDKIMHSGS-UHFFFAOYSA-N 0 1 319.413 0.564 50 0 DCAAMN CCS(=O)(=O)NCCCN1CC[C@H](Oc2cccnc2)C1 ZINC000089274454 395709387 /nfs/dbraw/zinc/70/93/87/395709387.db2.gz SPMBSNRXFQQBKP-AWEZNQCLSA-N 0 1 313.423 0.864 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(C(=O)c3csnn3)CCO2)n1 ZINC000089893541 395715859 /nfs/dbraw/zinc/71/58/59/395715859.db2.gz GGBJUYUKRJAZTK-SECBINFHSA-N 0 1 308.367 0.993 50 0 DCAAMN CC(C)c1nc([C@H]2CN(C(=O)c3csnn3)CCO2)n[nH]1 ZINC000089893541 395715862 /nfs/dbraw/zinc/71/58/62/395715862.db2.gz GGBJUYUKRJAZTK-SECBINFHSA-N 0 1 308.367 0.993 50 0 DCAAMN CN(C[C@H](O)CN1CCN(C)CC1)C(=O)C1C(C)(C)C1(C)C ZINC000089917380 395716511 /nfs/dbraw/zinc/71/65/11/395716511.db2.gz RQYZMWXODWSJRL-ZDUSSCGKSA-N 0 1 311.470 0.735 50 0 DCAAMN Cc1noc(CCCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000084286672 395697130 /nfs/dbraw/zinc/69/71/30/395697130.db2.gz JIIUNZJPVDXSLH-UONOGXRCSA-N 0 1 322.409 0.758 50 0 DCAAMN CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CCn2cncn2)C1 ZINC000095402312 395740311 /nfs/dbraw/zinc/74/03/11/395740311.db2.gz YSOVKLSZSDBBQA-CYBMUJFWSA-N 0 1 317.397 0.745 50 0 DCAAMN COC[C@H](C)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000097200579 395755604 /nfs/dbraw/zinc/75/56/04/395755604.db2.gz RZNHTQQTKYPCTJ-UONOGXRCSA-N 0 1 306.410 0.967 50 0 DCAAMN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1cnc[nH]1 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CO[C@@H]1COCC[C@H]1NC(=O)c1[nH]c(=O)nc2ccccc21 ZINC000219115649 395844430 /nfs/dbraw/zinc/84/44/30/395844430.db2.gz IAJXTMSWFBOBMP-VXGBXAGGSA-N 0 1 303.318 0.457 50 0 DCAAMN Cc1nc(N)ncc1C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000220123135 395847879 /nfs/dbraw/zinc/84/78/79/395847879.db2.gz DXEXIXUNOAXKGP-UHFFFAOYSA-N 0 1 310.321 0.477 50 0 DCAAMN COC(=O)c1ccc(OCCN2CCN(CCO)CC2)cc1 ZINC000051211065 395848217 /nfs/dbraw/zinc/84/82/17/395848217.db2.gz YPVVAEATGLMQFN-UHFFFAOYSA-N 0 1 308.378 0.462 50 0 DCAAMN CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)Cn1cnnn1 ZINC000221433372 395851555 /nfs/dbraw/zinc/85/15/55/395851555.db2.gz PKNVRMVXPMEKNA-UHFFFAOYSA-N 0 1 319.756 0.904 50 0 DCAAMN CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccn2cnnc2c1 ZINC000222439994 395852542 /nfs/dbraw/zinc/85/25/42/395852542.db2.gz JPWLHTGBLPDOFI-YXCITZCRSA-N 0 1 301.350 0.177 50 0 DCAAMN COC(=O)N1CCCC[C@H]1C(=O)NCCSc1cn[nH]n1 ZINC000223905314 395857588 /nfs/dbraw/zinc/85/75/88/395857588.db2.gz HNFNZFSKWLSLDQ-VIFPVBQESA-N 0 1 313.383 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/nfs/dbraw/zinc/17/02/07/396170207.db2.gz PNRFQIKWGSSJAM-OLZOCXBDSA-N 0 1 311.407 0.145 50 0 DCAAMN Cc1nc([C@H]2CN(CC(=O)NCc3ccco3)CCO2)n[nH]1 ZINC000076048168 396193784 /nfs/dbraw/zinc/19/37/84/396193784.db2.gz JQRIYBGRVGTBQF-GFCCVEGCSA-N 0 1 305.338 0.396 50 0 DCAAMN COCCc1noc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)n1 ZINC000076048207 396194267 /nfs/dbraw/zinc/19/42/67/396194267.db2.gz XXBHXRBUDSIIQC-SNVBAGLBSA-N 0 1 308.342 0.259 50 0 DCAAMN C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000076058316 396194691 /nfs/dbraw/zinc/19/46/91/396194691.db2.gz SYWQYRYUWNNCBH-YGRLFVJLSA-N 0 1 323.418 0.800 50 0 DCAAMN Cc1[nH]nc2c1CN(C(=O)[C@H]1CSC(C)(C)C(=O)N1)CC2 ZINC000584892150 396634327 /nfs/dbraw/zinc/63/43/27/396634327.db2.gz UBSJDMQKAKPUHJ-LLVKDONJSA-N 0 1 308.407 0.613 50 0 DCAAMN Cc1n[nH]nc1C(=O)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584899932 396636586 /nfs/dbraw/zinc/63/65/86/396636586.db2.gz YMJPEHCFKUEBHY-PHIMTYICSA-N 0 1 307.398 0.827 50 0 DCAAMN 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Cn1ccnc1-c1ccc(N2CCN(C)[C@H](CCO)C2)nn1 ZINC001506397394 1017253287 /nfs/dbraw/zinc/25/32/87/1017253287.db2.gz SGUWKNLRLOYTEH-GFCCVEGCSA-N 0 1 302.382 0.380 50 0 DCAAMN NS(=O)(=O)N1CCCN(Cc2ccc3ccccc3n2)CC1 ZINC000095398991 185353897 /nfs/dbraw/zinc/35/38/97/185353897.db2.gz ROFNNHOEXHYMTP-UHFFFAOYSA-N 0 1 320.418 0.946 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n[nH]1 ZINC000083829940 192385538 /nfs/dbraw/zinc/38/55/38/192385538.db2.gz TVHNJMLNXYHZIO-NSHDSACASA-N 0 1 304.354 0.243 50 0 DCAAMN O=C(C[C@@H]1COCCN1)NCCCn1nnc2ccccc21 ZINC000072140209 191048465 /nfs/dbraw/zinc/04/84/65/191048465.db2.gz OKGKVHCCUYEEQI-GFCCVEGCSA-N 0 1 303.366 0.316 50 0 DCAAMN O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1cnn[nH]1 ZINC000072152098 191057712 /nfs/dbraw/zinc/05/77/12/191057712.db2.gz OAJVXEFDCCSVLY-UHFFFAOYSA-N 0 1 310.317 0.458 50 0 DCAAMN O=C(C[C@H]1COCCN1)NCCc1cnn(-c2ccccc2)c1 ZINC000072163523 191063282 /nfs/dbraw/zinc/06/32/82/191063282.db2.gz NGEVCBBCOYSEPJ-HNNXBMFYSA-N 0 1 314.389 0.910 50 0 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/nfs/dbraw/zinc/53/62/75/284536275.db2.gz ILHVLGBEXZTQOW-TZMCWYRMSA-N 0 1 300.362 0.109 50 0 DCAAMN COCC(=O)N1CCN(Cc2nc3ccc(OC)cc3[nH]2)CC1 ZINC000038670662 183005586 /nfs/dbraw/zinc/00/55/86/183005586.db2.gz DTGOSWXYYWAREE-UHFFFAOYSA-N 0 1 318.377 0.862 50 0 DCAAMN COc1cccc(CN(C)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000056640581 184016805 /nfs/dbraw/zinc/01/68/05/184016805.db2.gz HFTNXTIAWFWVQA-UHFFFAOYSA-N 0 1 303.362 0.725 50 0 DCAAMN CN1C[C@H](NC(=O)c2cccc(-n3cnnc3)c2)C[C@H]1CO ZINC000065395908 184335000 /nfs/dbraw/zinc/33/50/00/184335000.db2.gz BUPRPBDHYHGBQQ-OCCSQVGLSA-N 0 1 301.350 0.062 50 0 DCAAMN CN(C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)o1 ZINC000065395716 184335104 /nfs/dbraw/zinc/33/51/04/184335104.db2.gz MHISDEFAJDBBIV-ZBEGNZNMSA-N 0 1 321.377 0.430 50 0 DCAAMN CC(C)c1ccc(NC(=O)CCN[C@H](C(N)=O)[C@@H](C)O)cc1 ZINC000065423993 184341732 /nfs/dbraw/zinc/34/17/32/184341732.db2.gz HZEMTIVPFRNJHW-ABAIWWIYSA-N 0 1 307.394 0.963 50 0 DCAAMN COCC(=O)N1CCCN(c2nc(N(C)C)nc(C)c2C)CC1 ZINC000065427392 184342862 /nfs/dbraw/zinc/34/28/62/184342862.db2.gz LLHOQSXBHOSGQU-UHFFFAOYSA-N 0 1 321.425 0.845 50 0 DCAAMN C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CC[NH+](C)CC1 ZINC000426491074 257248166 /nfs/dbraw/zinc/24/81/66/257248166.db2.gz QBEXVIIKKWNRIU-ZDUSSCGKSA-N 0 1 311.426 0.916 50 0 DCAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC2(C1)CNC(=O)N2 ZINC000426479700 257249030 /nfs/dbraw/zinc/24/90/30/257249030.db2.gz JBRMUDWXFIKWET-UHFFFAOYSA-N 0 1 315.308 0.723 50 0 DCAAMN O=C(C1CCC1)N1CCn2nc(CN[C@H]3CCOC3)cc2C1 ZINC000426388105 257252317 /nfs/dbraw/zinc/25/23/17/257252317.db2.gz BPQSBOPMERZODL-ZDUSSCGKSA-N 0 1 304.394 0.904 50 0 DCAAMN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000012909942 395688148 /nfs/dbraw/zinc/68/81/48/395688148.db2.gz IDOMCNAYGAWNAG-MXWKQRLJSA-N 0 1 322.409 0.215 50 0 DCAAMN Cn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(F)ccc3O)cnc21 ZINC000002652837 395681667 /nfs/dbraw/zinc/68/16/67/395681667.db2.gz 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/nfs/dbraw/zinc/75/90/35/395759035.db2.gz DLFQKTGJEDREDI-SNVBAGLBSA-N 0 1 322.361 0.970 50 0 DCAAMN CN(C[C@@H](O)CN1CCN(C)CC1)c1nccc2occc21 ZINC000195575268 395832296 /nfs/dbraw/zinc/83/22/96/395832296.db2.gz PZSIBCSZAXQPOA-CYBMUJFWSA-N 0 1 304.394 0.872 50 0 DCAAMN CN(C[C@H](O)CN1CCN(C)CC1)c1nccc2occc21 ZINC000195575270 395832319 /nfs/dbraw/zinc/83/23/19/395832319.db2.gz PZSIBCSZAXQPOA-ZDUSSCGKSA-N 0 1 304.394 0.872 50 0 DCAAMN Cc1cc(C[C@@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)n[nH]1 ZINC000220610218 395849388 /nfs/dbraw/zinc/84/93/88/395849388.db2.gz GXHQUVDUJZNGOB-MRVPVSSYSA-N 0 1 303.366 0.708 50 0 DCAAMN O=C(Cn1ccc(=O)cc1)N1CCC(N2CCOCC2)CC1 ZINC000221424719 395851183 /nfs/dbraw/zinc/85/11/83/395851183.db2.gz YZMCBBZCJXJVKM-UHFFFAOYSA-N 0 1 305.378 0.172 50 0 DCAAMN O=C(Cc1cnc[nH]1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000222255164 395852027 /nfs/dbraw/zinc/85/20/27/395852027.db2.gz CSGSBJOXAGDUHB-CHWSQXEVSA-N 0 1 302.334 0.700 50 0 DCAAMN C[C@H]1CNCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 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396193650 /nfs/dbraw/zinc/19/36/50/396193650.db2.gz LAUULORXDFXSFE-GXTWGEPZSA-N 0 1 322.365 0.657 50 0 DCAAMN Cc1ccc(S(=O)(=O)N[C@@H]2CN(C)C[C@@H]2C)cc1C(N)=O ZINC000078899119 396256973 /nfs/dbraw/zinc/25/69/73/396256973.db2.gz IXBOUKTXJQXCPC-GXFFZTMASA-N 0 1 311.407 0.322 50 0 DCAAMN Cc1cc([C@@H]2CCCN(C(=O)CN3CCCNC3=O)C2)n[nH]1 ZINC000078902104 396258068 /nfs/dbraw/zinc/25/80/68/396258068.db2.gz APOFNTHHUDFDRK-GFCCVEGCSA-N 0 1 305.382 0.839 50 0 DCAAMN COc1ccc2nnc(CCC(=O)NCCc3cnc[nH]3)n2n1 ZINC000079501820 396266025 /nfs/dbraw/zinc/26/60/25/396266025.db2.gz NCJARMDVJNJEPW-UHFFFAOYSA-N 0 1 315.337 0.148 50 0 DCAAMN CCCCc1nn(CC(=O)NCc2n[nH]c(C)n2)c(=O)n1CC ZINC000077516664 396225023 /nfs/dbraw/zinc/22/50/23/396225023.db2.gz MVIIKMKIDHUXQN-UHFFFAOYSA-N 0 1 321.385 0.150 50 0 DCAAMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCc1ccnn1C ZINC000186658570 396354830 /nfs/dbraw/zinc/35/48/30/396354830.db2.gz VGHKIHZOWRYJJI-ZDUSSCGKSA-N 0 1 323.441 0.449 50 0 DCAAMN 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/nfs/dbraw/zinc/44/14/56/415441456.db2.gz LDRVMZGPYUMUHP-CYBMUJFWSA-N 0 1 302.440 0.802 50 0 DCAAMN CC(=O)N1CCC(NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000095949713 415562021 /nfs/dbraw/zinc/56/20/21/415562021.db2.gz GGAAREXFPGDILJ-MRXNPFEDSA-N 0 1 301.390 0.828 50 0 DCAAMN Cn1nc(C(=O)N2CCN(C3CCSCC3)CC2)ccc1=O ZINC000097155591 415587318 /nfs/dbraw/zinc/58/73/18/415587318.db2.gz ZWCDMZHNEGATHF-UHFFFAOYSA-N 0 1 322.434 0.434 50 0 DCAAMN O[C@H]1COC[C@@H]1N1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000097784890 415590566 /nfs/dbraw/zinc/59/05/66/415590566.db2.gz ZOASYAJMNSFUEA-HOTGVXAUSA-N 0 1 316.405 0.830 50 0 DCAAMN CC[C@@H]1CN(CC(=O)Nc2nccs2)CCN1C[C@H](C)O ZINC000107351146 415664586 /nfs/dbraw/zinc/66/45/86/415664586.db2.gz QSUUWYJILMVZSC-NWDGAFQWSA-N 0 1 312.439 0.859 50 0 DCAAMN CC(C)(NC(=O)c1cnc(-c2ncccn2)s1)c1nn[nH]n1 ZINC000354790912 415820797 /nfs/dbraw/zinc/82/07/97/415820797.db2.gz UYCHNOPULGNLHX-UHFFFAOYSA-N 0 1 316.350 0.778 50 0 DCAAMN C[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)CCN1 ZINC000155140342 415995189 /nfs/dbraw/zinc/99/51/89/415995189.db2.gz DVFRDRKQRGTKPF-LBPRGKRZSA-N 0 1 300.362 0.607 50 0 DCAAMN CC(C)(C)c1cc(CNC(=O)[C@H]2CCC(=O)NC(=O)N2)n[nH]1 ZINC000299799386 416070665 /nfs/dbraw/zinc/07/06/65/416070665.db2.gz RIUFYRZASHOXRC-SECBINFHSA-N 0 1 307.354 0.312 50 0 DCAAMN O=C(CCn1cnnn1)N1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000215543651 416326945 /nfs/dbraw/zinc/32/69/45/416326945.db2.gz WGGNPYGXYYBVQN-UHFFFAOYSA-N 0 1 324.348 0.433 50 0 DCAAMN CN(C)c1ccc(C(=O)N2CCOC[C@H]2c2nnc[nH]2)cn1 ZINC000240912297 416330153 /nfs/dbraw/zinc/33/01/53/416330153.db2.gz IXEQNYZXBCWUSF-NSHDSACASA-N 0 1 302.338 0.479 50 0 DCAAMN O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H](NCc3ccccc3F)CN12 ZINC000014538356 275031008 /nfs/dbraw/zinc/03/10/08/275031008.db2.gz WHVCHPNHKQXVOS-CFVMTHIKSA-N 0 1 317.364 0.889 50 0 DCAAMN COCCn1cnnc1CCNC(=O)N(C)Cc1cn[nH]c1C ZINC000534583115 334289929 /nfs/dbraw/zinc/28/99/29/334289929.db2.gz XZBNFZROVIBFIK-UHFFFAOYSA-N 0 1 321.385 0.340 50 0 DCAAMN CN(C)Cc1cc(CNC(=O)CCS(C)(=O)=O)ccc1F ZINC000096406922 337381840 /nfs/dbraw/zinc/38/18/40/337381840.db2.gz PAVWYPQOWJPZGU-UHFFFAOYSA-N 0 1 316.398 0.938 50 0 DCAAMN CCc1nc([C@@H]2CN(CC(=O)Nc3nccs3)CCO2)n[nH]1 ZINC000083830097 545698330 /nfs/dbraw/zinc/69/83/30/545698330.db2.gz ONVFHIHFJDLUKE-VIFPVBQESA-N 0 1 322.394 0.836 50 0 DCAAMN CCN1CCN(C(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)CC1(C)C ZINC000223963787 545942649 /nfs/dbraw/zinc/94/26/49/545942649.db2.gz QOYYZKQBCDHEFW-GFCCVEGCSA-N 0 1 321.425 0.087 50 0 DCAAMN COCc1nnc(NC(=O)CN(C)C[C@H]2CCOC2)s1 ZINC000670468938 547100432 /nfs/dbraw/zinc/10/04/32/547100432.db2.gz YULTWZJIUSCEGB-SECBINFHSA-N 0 1 300.384 0.591 50 0 DCAAMN COc1ccc(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1 ZINC000585088803 661465198 /nfs/dbraw/zinc/46/51/98/661465198.db2.gz SRUDOPSOXIMGOH-JTQLQIEISA-N 0 1 308.363 0.992 50 0 DCAAMN CCc1[nH]nc2c1CN(C(=O)CCSc1nnnn1C)CC2 ZINC000067947119 665381279 /nfs/dbraw/zinc/38/12/79/665381279.db2.gz GSRKIWGXXDFBII-UHFFFAOYSA-N 0 1 321.410 0.563 50 0 DCAAMN CN(C)C1(C(=O)N2CCC[C@H]2C(N)=O)Cc2ccccc2C1 ZINC000011839623 666225600 /nfs/dbraw/zinc/22/56/00/666225600.db2.gz DWVBOSSIGHTJEC-AWEZNQCLSA-N 0 1 301.390 0.562 50 0 DCAAMN C[C@H](Cc1ccsc1)NC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000952966497 685599028 /nfs/dbraw/zinc/59/90/28/685599028.db2.gz KAUMLQQYSZSSOA-YPMHNXCESA-N 0 1 309.435 0.993 50 0 DCAAMN CN(C)CCN(C[C@H]1CCCO1)S(=O)(=O)c1cn[nH]c1 ZINC000952984680 685601859 /nfs/dbraw/zinc/60/18/59/685601859.db2.gz LYFZHSPVXATSEF-LLVKDONJSA-N 0 1 302.400 0.141 50 0 DCAAMN Cc1cc(N)n(CC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)n1 ZINC000952982584 685602017 /nfs/dbraw/zinc/60/20/17/685602017.db2.gz BEPNEGZYTGOASP-AWEZNQCLSA-N 0 1 321.425 0.079 50 0 DCAAMN C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(=O)[O-] ZINC000067833901 685071215 /nfs/dbraw/zinc/07/12/15/685071215.db2.gz FRHVSBONFUQOAE-CQSZACIVSA-N 0 1 301.346 0.938 50 0 DCAAMN CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(C(N)=O)cc1)C2 ZINC001704304452 1179967060 /nfs/dbraw/zinc/96/70/60/1179967060.db2.gz 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ZINC001704355550 1179984615 /nfs/dbraw/zinc/98/46/15/1179984615.db2.gz QMRQKPQPDMAKHR-OAHLLOKOSA-N 0 1 315.373 0.739 50 0 DCAAMN CN1CC[N@@H+](Cc2cc3ccccc3n(C)c2=O)C[C@@H]1C(=O)[O-] ZINC001704355550 1179984620 /nfs/dbraw/zinc/98/46/20/1179984620.db2.gz QMRQKPQPDMAKHR-OAHLLOKOSA-N 0 1 315.373 0.739 50 0 DCAAMN Cc1nc([C@H]2CCN(C(=O)CCO)CCN2CC(C)C)n[nH]1 ZINC000675013910 748026327 /nfs/dbraw/zinc/02/63/27/748026327.db2.gz RUNJQVZZZSLETJ-CYBMUJFWSA-N 0 1 309.414 0.727 50 0 DCAAMN NC(=O)Cc1n[nH]c(Cc2cc3c(cc2Cl)OCCO3)n1 ZINC000826842083 758845734 /nfs/dbraw/zinc/84/57/34/758845734.db2.gz JWDUVHAWAHHWAQ-UHFFFAOYSA-N 0 1 308.725 0.848 50 0 DCAAMN O=C(Cn1cnnn1)N[C@@H]1CCCN(Cc2cccs2)C1 ZINC000827864708 758890824 /nfs/dbraw/zinc/89/08/24/758890824.db2.gz UALQDDZNIFVWAK-LLVKDONJSA-N 0 1 306.395 0.515 50 0 DCAAMN Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nc[nH]n3)C2)c(=O)n1 ZINC000827928189 758902324 /nfs/dbraw/zinc/90/23/24/758902324.db2.gz SLBLYZYYEXUSOY-LBPRGKRZSA-N 0 1 316.365 0.384 50 0 DCAAMN Cn1nccc1CN1CCC(CNC(=O)[C@H]2CCCO2)CC1 ZINC000828124116 758930258 /nfs/dbraw/zinc/93/02/58/758930258.db2.gz XFUCUZRWEDOQAS-OAHLLOKOSA-N 0 1 306.410 0.927 50 0 DCAAMN O=C(CSc1ncccn1)NCCN1CCCC[C@H]1CO ZINC000828710828 759072193 /nfs/dbraw/zinc/07/21/93/759072193.db2.gz KWNGRLAOQYODGK-LBPRGKRZSA-N 0 1 310.423 0.532 50 0 DCAAMN CN(C)C1(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)CC1 ZINC000585088420 766276280 /nfs/dbraw/zinc/27/62/80/766276280.db2.gz YWZRBVUMQDTNBS-ZDUSSCGKSA-N 0 1 306.362 0.301 50 0 DCAAMN Cc1nc(CN2CCC(CNC(=O)c3cnccn3)CC2)n[nH]1 ZINC000952862656 768922271 /nfs/dbraw/zinc/92/22/71/768922271.db2.gz PHFPUPOXTNIRDU-UHFFFAOYSA-N 0 1 315.381 0.545 50 0 DCAAMN Cc1cc(NC[C@@H]2CN(C)C(=O)CO2)nc(N2CCCC2)n1 ZINC000885938849 775066073 /nfs/dbraw/zinc/06/60/73/775066073.db2.gz BKFDDOUMBYQFCR-GFCCVEGCSA-N 0 1 305.382 0.654 50 0 DCAAMN O=C(CN1C[C@@H](Cc2ccccc2)CC1=O)N1CCNCC1 ZINC000095529202 185378481 /nfs/dbraw/zinc/37/84/81/185378481.db2.gz GEWVZFPHPBRMSH-HNNXBMFYSA-N 0 1 301.390 0.509 50 0 DCAAMN C/C=C/Cc1nnc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)o1 ZINC000071707736 191011159 /nfs/dbraw/zinc/01/11/59/191011159.db2.gz LXPQTQFKSWBYNG-QVWGBTSJSA-N 0 1 306.366 0.469 50 0 DCAAMN NC(=O)[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2CNC3)C1 ZINC000072132989 191044974 /nfs/dbraw/zinc/04/49/74/191044974.db2.gz PXFHTGUSTBQTFU-LBPRGKRZSA-N 0 1 324.388 0.844 50 0 DCAAMN Cc1sc2[nH]c(CCNC(=O)c3cnn[nH]3)nc(=O)c2c1C ZINC000072145000 191052187 /nfs/dbraw/zinc/05/21/87/191052187.db2.gz LLXOUOBZZJFBSM-UHFFFAOYSA-N 0 1 318.362 0.692 50 0 DCAAMN O=C(C[C@H]1COCCN1)N1CCC(OCc2cccnc2)CC1 ZINC000072149271 191054882 /nfs/dbraw/zinc/05/48/82/191054882.db2.gz WSVAWFQOVALYEM-HNNXBMFYSA-N 0 1 319.405 0.968 50 0 DCAAMN CCc1ncc2c(n1)CN(CCC(=O)N1CCOCC1)CC2 ZINC000072268491 191091295 /nfs/dbraw/zinc/09/12/95/191091295.db2.gz BVVSPDFRORBVRY-UHFFFAOYSA-N 0 1 304.394 0.646 50 0 DCAAMN NC(=O)c1cccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000072277719 191098983 /nfs/dbraw/zinc/09/89/83/191098983.db2.gz FHMUVAJCDGVCMM-GFCCVEGCSA-N 0 1 309.391 0.254 50 0 DCAAMN Cn1c(CCNC(=O)[C@@H]2NCCc3[nH]cnc32)nc2ccccc21 ZINC000072436084 191166469 /nfs/dbraw/zinc/16/64/69/191166469.db2.gz MGIUMDRDEDZDEJ-MRXNPFEDSA-N 0 1 324.388 0.842 50 0 DCAAMN COC(=O)NC[C@@H]1CCN(Cc2ccc(OC)c(O)c2)C[C@H]1O ZINC000072477542 191179777 /nfs/dbraw/zinc/17/97/77/191179777.db2.gz CEZAVJJOHQEOQO-GXTWGEPZSA-N 0 1 324.377 0.940 50 0 DCAAMN COc1ccc(N2C[C@@H](C(=O)N3CCNCC3)CC2=O)cc1 ZINC000003602943 181038818 /nfs/dbraw/zinc/03/88/18/181038818.db2.gz JKGXLZWWNBGJSP-LBPRGKRZSA-N 0 1 303.362 0.480 50 0 DCAAMN COc1ccccc1N1C[C@H](C(=O)N2CCNCC2)CC1=O ZINC000003602935 181039104 /nfs/dbraw/zinc/03/91/04/181039104.db2.gz SHCJZCVGJSVRHE-GFCCVEGCSA-N 0 1 303.362 0.480 50 0 DCAAMN CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000194926110 201311871 /nfs/dbraw/zinc/31/18/71/201311871.db2.gz ZVOPNXASDGERML-KBPBESRZSA-N 0 1 306.362 0.519 50 0 DCAAMN CC[N@H+]1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000194926110 201311873 /nfs/dbraw/zinc/31/18/73/201311873.db2.gz ZVOPNXASDGERML-KBPBESRZSA-N 0 1 306.362 0.519 50 0 DCAAMN O=C([C@@H]1CNCCO1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091819163 193111996 /nfs/dbraw/zinc/11/19/96/193111996.db2.gz RQLBDYFGSQVRRJ-HNNXBMFYSA-N 0 1 307.369 0.853 50 0 DCAAMN Cc1cc(=O)n(C)c(=O)n1CCCCCCN1CCOCC1 ZINC000019855702 182157420 /nfs/dbraw/zinc/15/74/20/182157420.db2.gz LKFXYFIRIHGHRQ-UHFFFAOYSA-N 0 1 309.410 0.748 50 0 DCAAMN Cc1nnc(-c2cnn(C)c2N)n1CCCN1CCOCC1 ZINC000020386498 182213307 /nfs/dbraw/zinc/21/33/07/182213307.db2.gz CAAHGHOSXOZKQY-UHFFFAOYSA-N 0 1 305.386 0.292 50 0 DCAAMN CC(C)=CCN1CCN(Cc2cnc(N)nc2)C[C@@H]1CCO ZINC000020514345 182226556 /nfs/dbraw/zinc/22/65/56/182226556.db2.gz NAGWROVSNKHJAB-HNNXBMFYSA-N 0 1 305.426 0.894 50 0 DCAAMN Cc1cc(F)ccc1S(=O)(=O)NCCN1CCN(C)CC1 ZINC000022913341 182340123 /nfs/dbraw/zinc/34/01/23/182340123.db2.gz VZTJURRATYUXNY-UHFFFAOYSA-N 0 1 315.414 0.660 50 0 DCAAMN COc1ccc(OC)c(COC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000022918047 182341368 /nfs/dbraw/zinc/34/13/68/182341368.db2.gz CGTSIPNCQIPFPD-HNNXBMFYSA-N 0 1 324.421 0.829 50 0 DCAAMN CC[C@H]1CCCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000106064568 194184382 /nfs/dbraw/zinc/18/43/82/194184382.db2.gz ODKDGZIJAATCKW-MNOVXSKESA-N 0 1 322.409 0.359 50 0 DCAAMN Cc1noc(-c2ccnc(N3CC[N@H+](C)[C@@H](C(=O)[O-])C3)c2)n1 ZINC000106687498 194244130 /nfs/dbraw/zinc/24/41/30/194244130.db2.gz VEDGVGFBVBKYMS-LLVKDONJSA-N 0 1 303.322 0.645 50 0 DCAAMN CCCN(CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000052915286 183880090 /nfs/dbraw/zinc/88/00/90/183880090.db2.gz IUCNXBUWZCLHQL-CYBMUJFWSA-N 0 1 300.399 0.492 50 0 DCAAMN Cc1noc(C)c1CNC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000058392502 184111729 /nfs/dbraw/zinc/11/17/29/184111729.db2.gz BASAOLWKNWVXRA-UHFFFAOYSA-N 0 1 315.337 0.710 50 0 DCAAMN CCn1cc(C2CCN([C@@H](C)C(=O)NC(=O)NC)CC2)cn1 ZINC000065458385 184348063 /nfs/dbraw/zinc/34/80/63/184348063.db2.gz RAPDDLNKLULNDM-NSHDSACASA-N 0 1 307.398 0.927 50 0 DCAAMN CCCNC(=O)CCNCc1c(C)nn(C)c1N1CCOCC1 ZINC000065475085 184351941 /nfs/dbraw/zinc/35/19/41/184351941.db2.gz WDODUKWMANSZGJ-UHFFFAOYSA-N 0 1 323.441 0.571 50 0 DCAAMN Cc1ccc2nc([C@@H](C)NC(=O)N(CCO)CCO)[nH]c2c1 ZINC000426628715 257245321 /nfs/dbraw/zinc/24/53/21/257245321.db2.gz FBEURMJUKOPANJ-LLVKDONJSA-N 0 1 306.366 0.929 50 0 DCAAMN O=C(NCCc1cnc[nH]1)N1CCCC[C@H]1CN1CCOCC1 ZINC000426490219 257249338 /nfs/dbraw/zinc/24/93/38/257249338.db2.gz QAXKSMQQYCMGIK-HNNXBMFYSA-N 0 1 321.425 0.849 50 0 DCAAMN CN1C(=O)NC(=O)C(=CNC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)C1=O ZINC000019535464 395691027 /nfs/dbraw/zinc/69/10/27/395691027.db2.gz HNZXOGMTIJYWCC-BOAABQKHSA-N 0 1 323.393 0.745 50 0 DCAAMN CCc1nc([C@@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n[nH]1 ZINC000089289858 395709807 /nfs/dbraw/zinc/70/98/07/395709807.db2.gz GYDXQRDMQGQGFZ-NSHDSACASA-N 0 1 317.397 0.947 50 0 DCAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CNC(=O)N1 ZINC000089794425 395715408 /nfs/dbraw/zinc/71/54/08/395715408.db2.gz XVPPRSQTKUINDN-VXGBXAGGSA-N 0 1 306.366 0.604 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)c2nncn2C)C1 ZINC000089840200 395715913 /nfs/dbraw/zinc/71/59/13/395715913.db2.gz HTUXAQYNYFABCB-STQMWFEESA-N 0 1 324.429 0.532 50 0 DCAAMN COc1ccc(NS(=O)(=O)c2cnc(N)nc2)cc1OC ZINC000033073999 395716102 /nfs/dbraw/zinc/71/61/02/395716102.db2.gz OIKWHMZIONKAHT-UHFFFAOYSA-N 0 1 310.335 0.877 50 0 DCAAMN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000029199452 395697116 /nfs/dbraw/zinc/69/71/16/395697116.db2.gz IFPIRKDVQJLONI-NSHDSACASA-N 0 1 322.390 0.717 50 0 DCAAMN CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000037811542 395729178 /nfs/dbraw/zinc/72/91/78/395729178.db2.gz MZIMITCXMMJJKL-QWHCGFSZSA-N 0 1 311.407 0.227 50 0 DCAAMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cnn[nH]1 ZINC000096423777 395753433 /nfs/dbraw/zinc/75/34/33/395753433.db2.gz FLXLTAOISMBWLK-ZDUSSCGKSA-N 0 1 314.393 0.745 50 0 DCAAMN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1cnc[nH]1 ZINC000097288802 395756846 /nfs/dbraw/zinc/75/68/46/395756846.db2.gz FSGLKFVFYZDNCV-UHFFFAOYSA-N 0 1 308.363 0.338 50 0 DCAAMN c1cnc(N2CCN(Cc3nnc([C@@H]4CCOC4)[nH]3)CC2)nc1 ZINC000097515196 395758609 /nfs/dbraw/zinc/75/86/09/395758609.db2.gz HPLBOLZYHBVLEA-GFCCVEGCSA-N 0 1 315.381 0.421 50 0 DCAAMN c1cnc(N2CCN(Cc3n[nH]c([C@@H]4CCOC4)n3)CC2)nc1 ZINC000097515196 395758610 /nfs/dbraw/zinc/75/86/10/395758610.db2.gz HPLBOLZYHBVLEA-GFCCVEGCSA-N 0 1 315.381 0.421 50 0 DCAAMN O=C([O-])[C@@H]1CN(Cc2cn[nH]n2)CC[N@@H+](Cc2ccco2)C1 ZINC000217443333 395839334 /nfs/dbraw/zinc/83/93/34/395839334.db2.gz CNMLJMCLUVFRFP-LLVKDONJSA-N 0 1 305.338 0.416 50 0 DCAAMN O=C([O-])[C@@H]1CN(Cc2c[nH]nn2)CC[N@H+](Cc2ccco2)C1 ZINC000217443333 395839339 /nfs/dbraw/zinc/83/93/39/395839339.db2.gz CNMLJMCLUVFRFP-LLVKDONJSA-N 0 1 305.338 0.416 50 0 DCAAMN O=C([O-])[C@@H]1CN(Cc2c[nH]nn2)CC[N@@H+](Cc2ccco2)C1 ZINC000217443333 395839342 /nfs/dbraw/zinc/83/93/42/395839342.db2.gz CNMLJMCLUVFRFP-LLVKDONJSA-N 0 1 305.338 0.416 50 0 DCAAMN C[C@@H]1CN(CCC(=O)NCc2cnn3cccnc23)C[C@H](C)O1 ZINC000220242713 395847896 /nfs/dbraw/zinc/84/78/96/395847896.db2.gz QKSSKSRWNWJHGX-BETUJISGSA-N 0 1 317.393 0.845 50 0 DCAAMN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cnn[nH]1 ZINC000223447550 395854868 /nfs/dbraw/zinc/85/48/68/395854868.db2.gz VALJZGSFQSDFRH-KGLIPLIRSA-N 0 1 302.334 0.909 50 0 DCAAMN Cc1cc(C[C@@H](C)NC(=O)CSc2nnc(N)s2)n[nH]1 ZINC000055403570 395918734 /nfs/dbraw/zinc/91/87/34/395918734.db2.gz QODKINNYMPXIDO-ZCFIWIBFSA-N 0 1 312.424 0.991 50 0 DCAAMN Cc1cccc2nc(CN(C)C(=O)[C@H](C)NS(C)(=O)=O)[nH]c21 ZINC000244873298 395926274 /nfs/dbraw/zinc/92/62/74/395926274.db2.gz WNQDZCQNGZLKRX-JTQLQIEISA-N 0 1 324.406 0.767 50 0 DCAAMN COCc1nnc(NC(=O)CN2CCN(C(C)C)CC2)s1 ZINC000252509851 396022287 /nfs/dbraw/zinc/02/22/87/396022287.db2.gz YWXOURRFYYLLND-UHFFFAOYSA-N 0 1 313.427 0.649 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2[nH]cnc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000067805410 396033890 /nfs/dbraw/zinc/03/38/90/396033890.db2.gz ZCDKLKBWZBAOLW-GFCCVEGCSA-N 0 1 314.345 0.918 50 0 DCAAMN CC[C@@H]1CN(C(=O)CN2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069841454 396092153 /nfs/dbraw/zinc/09/21/53/396092153.db2.gz ZUHQHHIITZRSGN-LSDHHAIUSA-N 0 1 321.425 0.628 50 0 DCAAMN COCc1cc(CNC(=O)c2cnn3cc(C)cnc23)n[nH]1 ZINC000071776582 396114058 /nfs/dbraw/zinc/11/40/58/396114058.db2.gz BMWOHYSIIMMVRF-UHFFFAOYSA-N 0 1 300.322 0.837 50 0 DCAAMN O=C1OCCN1CCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000071864082 396119268 /nfs/dbraw/zinc/11/92/68/396119268.db2.gz ZDXQANUNAHDDPW-INIZCTEOSA-N 0 1 319.405 0.790 50 0 DCAAMN NS(=O)(=O)C[C@H]1CCCN1Cc1cc2ccccc2[nH]c1=O ZINC000071907849 396124262 /nfs/dbraw/zinc/12/42/62/396124262.db2.gz XLFOUIVUCCAQQW-CYBMUJFWSA-N 0 1 321.402 0.781 50 0 DCAAMN COC[C@@H](N)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000262343579 396128085 /nfs/dbraw/zinc/12/80/85/396128085.db2.gz TUJNLCRNSQCUBT-CQSZACIVSA-N 0 1 300.362 0.731 50 0 DCAAMN COCCNC(=O)CN1CCN(C2Cc3ccccc3C2)CC1 ZINC000072275094 396129158 /nfs/dbraw/zinc/12/91/58/396129158.db2.gz LGUYHDKERQLNAN-UHFFFAOYSA-N 0 1 317.433 0.534 50 0 DCAAMN CCc1nnc(-c2cc(S(=O)(=O)NCCN(C)C)c[nH]2)o1 ZINC000075428001 396180205 /nfs/dbraw/zinc/18/02/05/396180205.db2.gz WVZIDEQPWPIMJJ-UHFFFAOYSA-N 0 1 313.383 0.467 50 0 DCAAMN CC(=O)N[C@@](C)(C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)C1CC1 ZINC000076045280 396192893 /nfs/dbraw/zinc/19/28/93/396192893.db2.gz GZKVTVKRDSOZRH-IUODEOHRSA-N 0 1 321.381 0.318 50 0 DCAAMN Cc1nc([C@H]2CN(CC(=O)N(C)Cc3ccco3)CCO2)n[nH]1 ZINC000076048870 396193766 /nfs/dbraw/zinc/19/37/66/396193766.db2.gz CVAVZYQBVKJUIO-CYBMUJFWSA-N 0 1 319.365 0.738 50 0 DCAAMN O=C(CCN1CCCC1=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000078789261 396254606 /nfs/dbraw/zinc/25/46/06/396254606.db2.gz WEFYPMTXTBGCNQ-KGLIPLIRSA-N 0 1 309.410 0.057 50 0 DCAAMN Cn1ncnc1CCNC(=O)CCc1n[nH]c2c1CCCC2 ZINC000584888755 396632934 /nfs/dbraw/zinc/63/29/34/396632934.db2.gz QMITVYMKTDKJDL-UHFFFAOYSA-N 0 1 302.382 0.709 50 0 DCAAMN CC(=O)N[C@H]1CCN(C(=O)NCc2ccc3nc[nH]c3c2)C1 ZINC000584891382 396634175 /nfs/dbraw/zinc/63/41/75/396634175.db2.gz HDIWFZBYPUKEIB-LBPRGKRZSA-N 0 1 301.350 0.983 50 0 DCAAMN Cc1n[nH]c(C)c1CCCN(C)C(=O)CN1CCC[C@@H](O)C1 ZINC000584900037 396636365 /nfs/dbraw/zinc/63/63/65/396636365.db2.gz UYWCEYCQZZMLNX-CQSZACIVSA-N 0 1 308.426 0.874 50 0 DCAAMN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCNC[C@H]2C)cc1 ZINC000606441815 397681224 /nfs/dbraw/zinc/68/12/24/397681224.db2.gz YTYZXGUDLRPPOB-VVEJJEBESA-N 0 1 323.418 0.428 50 0 DCAAMN CNC(=O)CN(C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000044975303 415239696 /nfs/dbraw/zinc/23/96/96/415239696.db2.gz NASBLJAAECZVIL-ZDUSSCGKSA-N 0 1 304.394 0.692 50 0 DCAAMN C[N@@H+]1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000067674348 415379090 /nfs/dbraw/zinc/37/90/90/415379090.db2.gz ZUCACOVUQZDURE-SSDOTTSWSA-N 0 1 306.244 0.269 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000067674348 415379100 /nfs/dbraw/zinc/37/91/00/415379100.db2.gz ZUCACOVUQZDURE-SSDOTTSWSA-N 0 1 306.244 0.269 50 0 DCAAMN C[N@H+]1CCC[C@H]1CCn1ccc2[nH]c(=O)c(C(=O)[O-])cc2c1=O ZINC000067966137 415389953 /nfs/dbraw/zinc/38/99/53/415389953.db2.gz CRYMFSIPMGRFHO-JTQLQIEISA-N 0 1 317.345 0.872 50 0 DCAAMN CN1C[C@@H](C(=O)NC2CCN(Cc3ccccn3)CC2)CC1=O ZINC000095954275 415564462 /nfs/dbraw/zinc/56/44/62/415564462.db2.gz JZVUSLIQIOEYKA-ZDUSSCGKSA-N 0 1 316.405 0.641 50 0 DCAAMN NC(=O)c1cccc(N2CCN(Cc3ccco3)C[C@H](O)C2)n1 ZINC000097136919 415585355 /nfs/dbraw/zinc/58/53/55/415585355.db2.gz PNLSUOJGOXEVAF-LBPRGKRZSA-N 0 1 316.361 0.457 50 0 DCAAMN C[C@@H]1CN(C(=O)COc2ccc(CC(N)=O)cc2)C[C@@H](C)N1 ZINC000153617207 415984371 /nfs/dbraw/zinc/98/43/71/415984371.db2.gz GGSLSBMKEUJYIQ-VXGBXAGGSA-N 0 1 305.378 0.302 50 0 DCAAMN CN(CC(=O)OC(C)(C)C)C1CCN([C@@H]2CCNC2=O)CC1 ZINC000191986678 416295480 /nfs/dbraw/zinc/29/54/80/416295480.db2.gz LHOOUIUPGXTBBO-CYBMUJFWSA-N 0 1 311.426 0.613 50 0 DCAAMN CSCC[C@@H](O)C(=O)NCCc1nc(-c2cccnc2)n[nH]1 ZINC000216180089 416327409 /nfs/dbraw/zinc/32/74/09/416327409.db2.gz XDXMEEDTSIAVSJ-LLVKDONJSA-N 0 1 321.406 0.639 50 0 DCAAMN CSCC[C@@H](O)C(=O)NCCc1n[nH]c(-c2cccnc2)n1 ZINC000216180089 416327410 /nfs/dbraw/zinc/32/74/10/416327410.db2.gz XDXMEEDTSIAVSJ-LLVKDONJSA-N 0 1 321.406 0.639 50 0 DCAAMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000237945651 416329085 /nfs/dbraw/zinc/32/90/85/416329085.db2.gz VTNSLJHFCXXXSE-CYBMUJFWSA-N 0 1 306.362 0.978 50 0 DCAAMN CO[C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1c[nH]nn1 ZINC000585114235 416518765 /nfs/dbraw/zinc/51/87/65/416518765.db2.gz IVYUBEQMBMWION-IINYFYTJSA-N 0 1 320.324 0.964 50 0 DCAAMN CO[C@@H]1CN(C(=O)COc2ccccc2F)C[C@H]1c1cnn[nH]1 ZINC000585114235 416518766 /nfs/dbraw/zinc/51/87/66/416518766.db2.gz IVYUBEQMBMWION-IINYFYTJSA-N 0 1 320.324 0.964 50 0 DCAAMN COC(=O)c1cc(S(=O)(=O)NCC(C)(C)CCCO)on1 ZINC000585115497 416518963 /nfs/dbraw/zinc/51/89/63/416518963.db2.gz DHWVIMPAJBDRSV-UHFFFAOYSA-N 0 1 320.367 0.538 50 0 DCAAMN C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)N1CCC2(CC1)OCCO2 ZINC000105719188 278198532 /nfs/dbraw/zinc/19/85/32/278198532.db2.gz JITGPBPQYONKQN-MJBXVCDLSA-N 0 1 312.410 0.850 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)S(C)(=O)=O)C[C@H](C)N1 ZINC000299738922 278674184 /nfs/dbraw/zinc/67/41/84/278674184.db2.gz IOQNARWKYQEWQI-GUTXKFCHSA-N 0 1 324.446 0.851 50 0 DCAAMN CN1CCN(C(=O)N2CCOCC2)C[C@]12CCC(=O)N(C)CC2 ZINC000095358949 290013871 /nfs/dbraw/zinc/01/38/71/290013871.db2.gz ZEMSGXPLSPLNGT-MRXNPFEDSA-N 0 1 324.425 0.067 50 0 DCAAMN CC(=O)N1CCO[C@@H](CNc2nc(C)[nH]c(=O)c2Cl)C1 ZINC000534590191 334294040 /nfs/dbraw/zinc/29/40/40/334294040.db2.gz ZDNJZVAMGACZFZ-VIFPVBQESA-N 0 1 300.746 0.803 50 0 DCAAMN CCN1C[C@H](NC(=O)Cc2n[nH]c3ccccc23)[C@@H](OC)C1 ZINC000534662754 334322700 /nfs/dbraw/zinc/32/27/00/334322700.db2.gz BMGVJLTZEHJQOH-GJZGRUSLSA-N 0 1 302.378 0.941 50 0 DCAAMN O=C(CCCn1cncn1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000084618651 545702861 /nfs/dbraw/zinc/70/28/61/545702861.db2.gz AXVGLTPNHJIJKU-KGLIPLIRSA-N 0 1 307.398 0.116 50 0 DCAAMN COc1cc(CNC(=O)[C@H]2CNCCO2)cc(OC)c1OC ZINC000216016213 545939013 /nfs/dbraw/zinc/93/90/13/545939013.db2.gz KICMRSHMIASSTD-CYBMUJFWSA-N 0 1 310.350 0.317 50 0 DCAAMN CCCS(=O)(=O)NC[C@@H](C)NCc1cnc2cnccn12 ZINC000670446028 547094729 /nfs/dbraw/zinc/09/47/29/547094729.db2.gz PJVDUUOQJZSQHV-LLVKDONJSA-N 0 1 311.411 0.537 50 0 DCAAMN Cc1nccn1CCC[N@H+]1C[C@@H](C(=O)N(C)C)CC[C@H]1C(=O)[O-] ZINC000685940320 548745956 /nfs/dbraw/zinc/74/59/56/548745956.db2.gz DPZLZASZQPEREO-KBPBESRZSA-N 0 1 322.409 0.835 50 0 DCAAMN CCc1[nH]nc2c1CN(C(=O)Cc1cnc3ncnn3c1)CC2 ZINC000032533109 664669115 /nfs/dbraw/zinc/66/91/15/664669115.db2.gz CBKRCGOXZCGNLY-UHFFFAOYSA-N 0 1 311.349 0.537 50 0 DCAAMN CC[C@@H](CO)Nc1cc(N2CCN(CCO)C(C)(C)C2)ncn1 ZINC000871101356 664725212 /nfs/dbraw/zinc/72/52/12/664725212.db2.gz NIOVOUCHGGOVJR-ZDUSSCGKSA-N 0 1 323.441 0.552 50 0 DCAAMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cnc2c(c1)ncn2C ZINC000159810832 669942175 /nfs/dbraw/zinc/94/21/75/669942175.db2.gz KYVAOCZBMWOWBR-LBPRGKRZSA-N 0 1 316.409 0.334 50 0 DCAAMN C[C@H](CN1CCN(C)CC1)NC(=O)c1cnc2c(c1)ncn2C ZINC000159810945 669942357 /nfs/dbraw/zinc/94/23/57/669942357.db2.gz KYVAOCZBMWOWBR-GFCCVEGCSA-N 0 1 316.409 0.334 50 0 DCAAMN COc1cc(NC(=O)[C@@H]2CCCN2C)cc(-n2cnnn2)c1 ZINC000952967594 685598969 /nfs/dbraw/zinc/59/89/69/685598969.db2.gz IDGNXQDJQOPRDN-ZDUSSCGKSA-N 0 1 302.338 0.704 50 0 DCAAMN Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952969800 685599264 /nfs/dbraw/zinc/59/92/64/685599264.db2.gz QGSXNAQAQDGJBC-GXFFZTMASA-N 0 1 321.425 0.411 50 0 DCAAMN Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000952969800 685599270 /nfs/dbraw/zinc/59/92/70/685599270.db2.gz QGSXNAQAQDGJBC-GXFFZTMASA-N 0 1 321.425 0.411 50 0 DCAAMN C[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cc(F)ccc3F)CN2C1=O ZINC000014745406 685049283 /nfs/dbraw/zinc/04/92/83/685049283.db2.gz OCFVWOGYKICOQB-QWRKXWFKSA-N 0 1 309.316 0.542 50 0 DCAAMN CNC(=O)c1noc(-c2nc3c([nH]2)C(=O)NCC(C)(C)C3)n1 ZINC000065406933 685063869 /nfs/dbraw/zinc/06/38/69/685063869.db2.gz JJWARFDXYBYKOX-UHFFFAOYSA-N 0 1 304.310 0.131 50 0 DCAAMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC([C@@H](O)CO)CC1 ZINC001772703715 1157841682 /nfs/dbraw/zinc/84/16/82/1157841682.db2.gz ZCRAGPGNGXUVLL-AWEZNQCLSA-N 0 1 316.361 0.677 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)Cc3c(C)n[nH]c3C)C[C@H]2O)n[nH]1 ZINC001704302563 1179966957 /nfs/dbraw/zinc/96/69/57/1179966957.db2.gz AFOOHLGFYOFRTF-IUODEOHRSA-N 0 1 317.393 0.663 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3cnc(N)nc3C)C[C@H]2O)n[nH]1 ZINC001704305368 1179968095 /nfs/dbraw/zinc/96/80/95/1179968095.db2.gz VGOIODYZMJWQOU-ZWNOBZJWSA-N 0 1 316.365 0.074 50 0 DCAAMN Cc1ncsc1CN1C[C@H]2COC[C@@H]1C[N@@H+](CC(=O)[O-])C2 ZINC001704310321 1179969377 /nfs/dbraw/zinc/96/93/77/1179969377.db2.gz RKZMPFHEBXIRKM-RYUDHWBXSA-N 0 1 311.407 0.669 50 0 DCAAMN Cc1nn[nH]c1C(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 ZINC001704344501 1179980697 /nfs/dbraw/zinc/98/06/97/1179980697.db2.gz OVTXBZBJKKJBEZ-HNNXBMFYSA-N 0 1 313.365 0.606 50 0 DCAAMN Cc1cc(C[C@@H]2CN(Cc3cnn4cccnc34)C[C@@H]2O)n[nH]1 ZINC001704354165 1179982961 /nfs/dbraw/zinc/98/29/61/1179982961.db2.gz UWKMLCYCDQSFGO-DOMZBBRYSA-N 0 1 312.377 0.796 50 0 DCAAMN Cc1cc(C[C@@H]2CN(Cc3cnn4cccnc34)C[C@@H]2O)[nH]n1 ZINC001704354165 1179982963 /nfs/dbraw/zinc/98/29/63/1179982963.db2.gz UWKMLCYCDQSFGO-DOMZBBRYSA-N 0 1 312.377 0.796 50 0 DCAAMN COc1ccc(-n2cccn2)c(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001704353119 1179983400 /nfs/dbraw/zinc/98/34/00/1179983400.db2.gz RRZIHMQVUYWTPB-DOMZBBRYSA-N 0 1 317.345 0.901 50 0 DCAAMN COc1ccc(-n2cccn2)c(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001704353119 1179983405 /nfs/dbraw/zinc/98/34/05/1179983405.db2.gz RRZIHMQVUYWTPB-DOMZBBRYSA-N 0 1 317.345 0.901 50 0 DCAAMN CC(C)N(C)S(=O)(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000821724574 758177482 /nfs/dbraw/zinc/17/74/82/758177482.db2.gz RPCGOKAUAPPTIE-UHFFFAOYSA-N 0 1 310.383 0.541 50 0 DCAAMN CN1CC[C@H](NS(=O)(=O)CCOc2ccc(F)cc2)C1 ZINC000823755233 758265151 /nfs/dbraw/zinc/26/51/51/758265151.db2.gz NAKKKFUSYJSALC-LBPRGKRZSA-N 0 1 302.371 0.828 50 0 DCAAMN 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/nfs/dbraw/zinc/74/54/98/395745498.db2.gz QBONGWLDABYPJI-UHFFFAOYSA-N 0 1 316.361 0.521 50 0 DCAAMN COC[C@@H](C)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000097200580 395755656 /nfs/dbraw/zinc/75/56/56/395755656.db2.gz RZNHTQQTKYPCTJ-ZIAGYGMSSA-N 0 1 306.410 0.967 50 0 DCAAMN Cc1nc(N(C)C)ncc1C(=O)NCCN1CCC[C@@H](CO)C1 ZINC000097437026 395757653 /nfs/dbraw/zinc/75/76/53/395757653.db2.gz KHULDBYYCBDPKD-CYBMUJFWSA-N 0 1 321.425 0.285 50 0 DCAAMN COCc1cccc(C(=O)N2CCN(C(C)C)C[C@@H](O)C2)n1 ZINC000097514390 395758779 /nfs/dbraw/zinc/75/87/79/395758779.db2.gz ILKYFIXGSPZQIX-CQSZACIVSA-N 0 1 307.394 0.755 50 0 DCAAMN O=C(NCCc1cnc[nH]1)c1cnc(N2CCOCC2)nc1 ZINC000097578436 395759045 /nfs/dbraw/zinc/75/90/45/395759045.db2.gz QNQUIAOIGODFFK-UHFFFAOYSA-N 0 1 302.338 0.009 50 0 DCAAMN CCN1CCC[C@H]1CNc1c(=O)c(=O)c1NCCC[NH+](C)C ZINC000101687159 395766572 /nfs/dbraw/zinc/76/65/72/395766572.db2.gz ANERIDNGZRGAPZ-LBPRGKRZSA-N 0 1 308.426 0.542 50 0 DCAAMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCn1cccn1 ZINC000195571542 395832267 /nfs/dbraw/zinc/83/22/67/395832267.db2.gz VTRZUAGQGCJQHS-CYBMUJFWSA-N 0 1 309.414 0.370 50 0 DCAAMN COc1cc(OC)cc(S(=O)(=O)N(C)Cc2nnc[nH]2)c1 ZINC000225449726 395859932 /nfs/dbraw/zinc/85/99/32/395859932.db2.gz KOWFKTGPNFHSKU-UHFFFAOYSA-N 0 1 312.351 0.643 50 0 DCAAMN CCc1nc(SCC(=O)NCc2nnc3n2CCC3)n[nH]1 ZINC000223699624 395856384 /nfs/dbraw/zinc/85/63/84/395856384.db2.gz KYRAGIGKSSTEMI-UHFFFAOYSA-N 0 1 307.383 0.313 50 0 DCAAMN CCc1n[nH]c(SCC(=O)NCc2nnc3n2CCC3)n1 ZINC000223699624 395856386 /nfs/dbraw/zinc/85/63/86/395856386.db2.gz KYRAGIGKSSTEMI-UHFFFAOYSA-N 0 1 307.383 0.313 50 0 DCAAMN C[C@H](CN(C)C(=O)[C@H]1Cc2cccc(F)c2O1)c1nn[nH]n1 ZINC000124579448 395900404 /nfs/dbraw/zinc/90/04/04/395900404.db2.gz GHXBRNYUWTXQJI-LDYMZIIASA-N 0 1 305.313 0.904 50 0 DCAAMN CCOCCN1CCN(C[C@H](O)CO[C@@H](C)COC)CC1 ZINC000225570416 395862169 /nfs/dbraw/zinc/86/21/69/395862169.db2.gz HXBZZXARERGFBX-GJZGRUSLSA-N 0 1 304.431 0.053 50 0 DCAAMN O=C(c1ccc2c(c1)OCO2)N1CCC(c2nn[nH]n2)CC1 ZINC000252496852 396021551 /nfs/dbraw/zinc/02/15/51/396021551.db2.gz PSYLEASZRQRFMI-UHFFFAOYSA-N 0 1 301.306 0.948 50 0 DCAAMN CC[C@H]1CN(C(=O)CN2CCC[C@H](Cn3cncn3)C2)CCO1 ZINC000069841456 396092218 /nfs/dbraw/zinc/09/22/18/396092218.db2.gz ZUHQHHIITZRSGN-GJZGRUSLSA-N 0 1 321.425 0.628 50 0 DCAAMN Cc1cc(C)n(CCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000072269511 396129166 /nfs/dbraw/zinc/12/91/66/396129166.db2.gz GLZSMOJQNJHFJO-JKSUJKDBSA-N 0 1 320.437 0.948 50 0 DCAAMN Cn1c(=O)cc(CN2CCCC[C@@H]2Cn2cccn2)n(C)c1=O ZINC000069632201 396085435 /nfs/dbraw/zinc/08/54/35/396085435.db2.gz PFUSCVCYBOAADL-CYBMUJFWSA-N 0 1 317.393 0.335 50 0 DCAAMN O=C1C[C@H](NCc2cccnc2)CN1CCN1CCOCC1 ZINC000177353639 396172927 /nfs/dbraw/zinc/17/29/27/396172927.db2.gz YAZBEHZHIUBVRW-HNNXBMFYSA-N 0 1 304.394 0.104 50 0 DCAAMN CCOc1ccc(OCCNC(=O)CN(C)C[C@@H](C)O)cc1 ZINC000131273499 196156266 /nfs/dbraw/zinc/15/62/66/196156266.db2.gz SEJHFXLDEZKBGI-CYBMUJFWSA-N 0 1 310.394 0.893 50 0 DCAAMN COc1ccccc1C(=O)NC(=O)COC(=O)C1=COCCO1 ZINC000003514194 415127738 /nfs/dbraw/zinc/12/77/38/415127738.db2.gz PACGIYZVIZTAEU-UHFFFAOYSA-N 0 1 321.285 0.383 50 0 DCAAMN C[C@H]1C[C@H](C)CN(CCNS(=O)(=O)c2cnn(C)c2)C1 ZINC000044937497 415235190 /nfs/dbraw/zinc/23/51/90/415235190.db2.gz CVRZDUOSQVUEBU-RYUDHWBXSA-N 0 1 300.428 0.676 50 0 DCAAMN Cc1[nH]ncc1CCCNC(=O)NCC1(C(N)=O)CCOCC1 ZINC000045539451 415246359 /nfs/dbraw/zinc/24/63/59/415246359.db2.gz BXOCRAUJSMBAPT-UHFFFAOYSA-N 0 1 323.397 0.232 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC000044604533 415224517 /nfs/dbraw/zinc/22/45/17/415224517.db2.gz NRQGTHJUJFSLSH-AWEZNQCLSA-N 0 1 307.394 0.472 50 0 DCAAMN Cc1noc([C@@H]2CCCN(Cc3cc(=O)n(C)c(=O)n3C)C2)n1 ZINC000071817160 415409566 /nfs/dbraw/zinc/40/95/66/415409566.db2.gz FJBVXPVBLDQKBG-LLVKDONJSA-N 0 1 319.365 0.155 50 0 DCAAMN CC(C)[NH+]1CCC(CC(=O)NCCc2nc([O-])cc(=O)[nH]2)CC1 ZINC000095384644 415558925 /nfs/dbraw/zinc/55/89/25/415558925.db2.gz OLZPGMAGJIWFPJ-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/50/55/97/1014505597.db2.gz FRHKPBJFYNXNQG-UKRRQHHQSA-N 0 1 317.393 0.675 50 0 DCAAMN Cn1ccnc1-c1ccc(NC[C@@H]2CN(C)CCN2C)nn1 ZINC001506417779 1017262648 /nfs/dbraw/zinc/26/26/48/1017262648.db2.gz LDMZJMQXSBFDPZ-GFCCVEGCSA-N 0 1 301.398 0.535 50 0 DCAAMN COC[C@@H](N)C(=O)N1CCN(c2ccc(C(=O)OC)cc2)CC1 ZINC000082160331 185174181 /nfs/dbraw/zinc/17/41/81/185174181.db2.gz AUBCGRLZBYETMD-CQSZACIVSA-N 0 1 321.377 0.096 50 0 DCAAMN Cc1n[nH]c(CCNC(=O)[C@H](C)n2c3ccccc3oc2=O)n1 ZINC000095389609 185351084 /nfs/dbraw/zinc/35/10/84/185351084.db2.gz LWUXQPHKDMZXMP-VIFPVBQESA-N 0 1 315.333 0.941 50 0 DCAAMN CNS(=O)(=O)CCCN(C)[C@@H](CO)c1cccc(F)c1 ZINC000095395049 185352436 /nfs/dbraw/zinc/35/24/36/185352436.db2.gz PJJMFKVVZIWIAK-ZDUSSCGKSA-N 0 1 304.387 0.730 50 0 DCAAMN CNC(=O)COc1ccc(C(=O)N2CCNC[C@H]2C)cc1OC ZINC000262011662 529864946 /nfs/dbraw/zinc/86/49/46/529864946.db2.gz JWLNGYDGQOIFJR-LLVKDONJSA-N 0 1 321.377 0.254 50 0 DCAAMN C[C@@H](C(N)=O)N1CCC(C(=O)NCCc2cccs2)CC1 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CC(C)c1cc(N2CCN(CCC(N)=O)CC2)n2nccc2n1 ZINC000072434471 191166414 /nfs/dbraw/zinc/16/64/14/191166414.db2.gz QWIUPKHYZIYWTM-UHFFFAOYSA-N 0 1 316.409 0.850 50 0 DCAAMN C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)o1 ZINC000076050706 191561678 /nfs/dbraw/zinc/56/16/78/191561678.db2.gz QCIIPCSPMUPLRS-ZJUUUORDSA-N 0 1 315.395 0.210 50 0 DCAAMN Cn1c(CCNC(=O)[C@H]2CNCCO2)nc2cc(F)ccc21 ZINC000188193912 200206353 /nfs/dbraw/zinc/20/63/53/200206353.db2.gz PDNBZJBRYNRBAO-CYBMUJFWSA-N 0 1 306.341 0.360 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)CCN1 ZINC000188409875 200241520 /nfs/dbraw/zinc/24/15/20/200241520.db2.gz YPQUCTKXBZNCQY-UXIGCNINSA-N 0 1 319.409 0.150 50 0 DCAAMN O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000006731965 181378995 /nfs/dbraw/zinc/37/89/95/181378995.db2.gz YDYONXSOUBSUGG-NEXFUWMNSA-N 0 1 324.421 0.962 50 0 DCAAMN O=C(NCCSc1cn[nH]n1)c1ccc2c(c1)NC(=O)CN2 ZINC000215168557 201453474 /nfs/dbraw/zinc/45/34/74/201453474.db2.gz 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/nfs/dbraw/zinc/11/37/32/184113732.db2.gz VLUCZIBADXHFDB-TXEJJXNPSA-N 0 1 324.425 0.853 50 0 DCAAMN O=C(CSc1nnnn1C1CC1)N[C@H]1CCN(C2CC2)C1 ZINC000063114607 184271565 /nfs/dbraw/zinc/27/15/65/184271565.db2.gz OQIWEECSMCRBHV-VIFPVBQESA-N 0 1 308.411 0.453 50 0 DCAAMN C[C@H](NCCSc1nnnn1C)C(=O)Nc1nccs1 ZINC000065535229 184362328 /nfs/dbraw/zinc/36/23/28/184362328.db2.gz GAEPXPLWEXNATA-ZETCQYMHSA-N 0 1 313.412 0.376 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1Cl ZINC000222576438 257239823 /nfs/dbraw/zinc/23/98/23/257239823.db2.gz BLQLLSFHFUGJSY-UWVGGRQHSA-N 0 1 318.830 0.979 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-][C@H]2CC[N@H+]3CCCC[C@@H]23)c1Cl ZINC000222576438 257239825 /nfs/dbraw/zinc/23/98/25/257239825.db2.gz BLQLLSFHFUGJSY-UWVGGRQHSA-N 0 1 318.830 0.979 50 0 DCAAMN [NH3+]CCOc1ccc(F)cc1C(=O)NCCCc1nn[n-]n1 ZINC000426479166 257249762 /nfs/dbraw/zinc/24/97/62/257249762.db2.gz XRKJCMMUWHFQAA-UHFFFAOYSA-N 0 1 308.317 0.039 50 0 DCAAMN CCCC1(C(=O)[O-])CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000426397631 257252707 /nfs/dbraw/zinc/25/27/07/257252707.db2.gz TVCFMWRDRYILRI-ZDUSSCGKSA-N 0 1 312.410 0.937 50 0 DCAAMN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(F)cc1F ZINC000012730920 257268239 /nfs/dbraw/zinc/26/82/39/257268239.db2.gz QAISEYQOEDIKPN-UHFFFAOYSA-N 0 1 317.273 0.451 50 0 DCAAMN O=S(=O)(NC1CC1)c1ccc2c(c1)S(=O)(=O)NC=N2 ZINC000009002246 395685023 /nfs/dbraw/zinc/68/50/23/395685023.db2.gz QUMUFXZDMZIYMY-UHFFFAOYSA-N 0 1 301.349 0.079 50 0 DCAAMN CN(C)CC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012299225 395687453 /nfs/dbraw/zinc/68/74/53/395687453.db2.gz XXHYJQXXLWZDFJ-AWEZNQCLSA-N 0 1 307.369 0.647 50 0 DCAAMN COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC000013233295 395688551 /nfs/dbraw/zinc/68/85/51/395688551.db2.gz ZZORFUFYDOWNEF-UHFFFAOYSA-N 0 1 310.335 0.877 50 0 world DCAAMN C[C@H](Cc1ccccc1)n1cc(NC(=O)NCC(=O)[O-])[o+]n1 ZINC000006824219 395683062 /nfs/dbraw/zinc/68/30/62/395683062.db2.gz 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/nfs/dbraw/zinc/74/03/24/395740324.db2.gz HFMVXBUTIGHDGH-NWDGAFQWSA-N 0 1 309.414 0.615 50 0 DCAAMN CN(C)[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000097244159 395756541 /nfs/dbraw/zinc/75/65/41/395756541.db2.gz QUUCZIJSQGXXCO-KGLIPLIRSA-N 0 1 308.378 0.647 50 0 DCAAMN CN(C)[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000097244159 395756543 /nfs/dbraw/zinc/75/65/43/395756543.db2.gz QUUCZIJSQGXXCO-KGLIPLIRSA-N 0 1 308.378 0.647 50 0 DCAAMN O=C([O-])[C@@H]1CN(C(=O)c2ncc[nH]2)CC[N@H+](C2CCOCC2)C1 ZINC000097610149 395759232 /nfs/dbraw/zinc/75/92/32/395759232.db2.gz HQJLLRDSCWXDFF-NSHDSACASA-N 0 1 322.365 0.047 50 0 DCAAMN Cn1cc(CC[N@@H+](C)Cc2cnc3c(C(=O)[O-])cnn3c2)cn1 ZINC000097674390 395760055 /nfs/dbraw/zinc/76/00/55/395760055.db2.gz LJHMPXGAPVMLTG-UHFFFAOYSA-N 0 1 314.349 0.836 50 0 DCAAMN Cc1[nH]ncc1CCCNC(=O)N1CCC(CC(N)=O)CC1 ZINC000045539151 395763908 /nfs/dbraw/zinc/76/39/08/395763908.db2.gz VCRCVWLJGQQRKF-UHFFFAOYSA-N 0 1 307.398 0.948 50 0 DCAAMN CC[N@@H+]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H](OC)C1 ZINC000220167020 395847751 /nfs/dbraw/zinc/84/77/51/395847751.db2.gz MCYVRIBRECITGB-STQMWFEESA-N 0 1 316.361 0.372 50 0 DCAAMN CC[N@H+]1C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H](OC)C1 ZINC000220167020 395847753 /nfs/dbraw/zinc/84/77/53/395847753.db2.gz MCYVRIBRECITGB-STQMWFEESA-N 0 1 316.361 0.372 50 0 DCAAMN O=C(CN1CCC[C@@H](O)C1)N1CCN(Cc2ccco2)CC1 ZINC000051204685 395848425 /nfs/dbraw/zinc/84/84/25/395848425.db2.gz LDLKGGYPUZUMJR-CQSZACIVSA-N 0 1 307.394 0.381 50 0 DCAAMN C[C@H]1CN(C(=O)CN2CCC[C@@H](Cn3cncn3)C2)CCO1 ZINC000229476857 395874537 /nfs/dbraw/zinc/87/45/37/395874537.db2.gz NRNUKXKQPKUSLI-UONOGXRCSA-N 0 1 307.398 0.237 50 0 DCAAMN NC(=O)[C@@H]1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000229526464 395874662 /nfs/dbraw/zinc/87/46/62/395874662.db2.gz MIAJHDXMCCTJRD-DGCLKSJQSA-N 0 1 303.362 0.434 50 0 DCAAMN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000248097959 395982277 /nfs/dbraw/zinc/98/22/77/395982277.db2.gz DHQCJGRQXRNXMQ-XQQFMLRXSA-N 0 1 300.424 0.506 50 0 DCAAMN COC[C@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000065434506 395993206 /nfs/dbraw/zinc/99/32/06/395993206.db2.gz DUPSPZKTGVPHRX-ZDUSSCGKSA-N 0 1 321.425 0.668 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H]1C(=O)[O-] ZINC000067726651 396031759 /nfs/dbraw/zinc/03/17/59/396031759.db2.gz QZDFUEOEUBRTCR-CYBMUJFWSA-N 0 1 314.345 0.918 50 0 DCAAMN Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C(=O)[O-])C1 ZINC000067743548 396032592 /nfs/dbraw/zinc/03/25/92/396032592.db2.gz LIMIFZMREFYNNR-LRDDRELGSA-N 0 1 320.393 0.434 50 0 DCAAMN CN1CCCNC(=O)C12CCN(C(=O)c1ccncc1)CC2 ZINC000067805129 396034040 /nfs/dbraw/zinc/03/40/40/396034040.db2.gz NBROETBBKUWOMA-UHFFFAOYSA-N 0 1 302.378 0.508 50 0 DCAAMN O=C(CN1CCOC1=O)NCCN1CCc2ccccc2C1 ZINC000067974766 396041318 /nfs/dbraw/zinc/04/13/18/396041318.db2.gz ICAAQHGPELDRLX-UHFFFAOYSA-N 0 1 303.362 0.613 50 0 DCAAMN CCn1nc(C)c(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2C)c1C ZINC000257366452 396046874 /nfs/dbraw/zinc/04/68/74/396046874.db2.gz ZJCVWROAHABVOS-BXKDBHETSA-N 0 1 300.428 0.748 50 0 DCAAMN Cc1[nH]nc(C(=O)N2CCNC(=O)CC2)c1Br ZINC000071839475 396117727 /nfs/dbraw/zinc/11/77/27/396117727.db2.gz JZXMOICYARRKHD-UHFFFAOYSA-N 0 1 301.144 0.443 50 0 DCAAMN C[C@@H](O)CN1CCN(C[C@@H](O)COCc2cccs2)CC1 ZINC000071877167 396121088 /nfs/dbraw/zinc/12/10/88/396121088.db2.gz OERKKAULKQRDJC-ZIAGYGMSSA-N 0 1 314.451 0.624 50 0 DCAAMN OCCN1CCN(CCCc2nnnn2-c2ccccc2)CC1 ZINC000069383456 396076719 /nfs/dbraw/zinc/07/67/19/396076719.db2.gz NPVBCOMANXMZRQ-UHFFFAOYSA-N 0 1 316.409 0.205 50 0 DCAAMN Cn1c(=O)cc(CN2CCCC[C@H]2Cn2cccn2)n(C)c1=O ZINC000069632204 396085362 /nfs/dbraw/zinc/08/53/62/396085362.db2.gz PFUSCVCYBOAADL-ZDUSSCGKSA-N 0 1 317.393 0.335 50 0 DCAAMN COc1ccnc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000076044722 396193015 /nfs/dbraw/zinc/19/30/15/396193015.db2.gz LOQGRXVNRHOVRT-GFCCVEGCSA-N 0 1 303.322 0.730 50 0 DCAAMN CN1CCN(c2ccc(C(=O)N3CCOC[C@H](O)C3)cc2)CC1 ZINC000077486405 396224123 /nfs/dbraw/zinc/22/41/23/396224123.db2.gz MVYBJBSZWYNQDD-MRXNPFEDSA-N 0 1 319.405 0.272 50 0 DCAAMN NC(=O)c1cncc(N2CCN(CCc3ccccc3)CC2)n1 ZINC000080766099 396285966 /nfs/dbraw/zinc/28/59/66/396285966.db2.gz JKDRQFAURUODIV-UHFFFAOYSA-N 0 1 311.389 0.940 50 0 DCAAMN COc1cccc2c(=O)n(C[C@H]3COCCN(C)C3)cnc12 ZINC000584891447 396634278 /nfs/dbraw/zinc/63/42/78/396634278.db2.gz YLDDOBKEKQBCHA-LBPRGKRZSA-N 0 1 303.362 0.983 50 0 DCAAMN CNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCN[C@@H](C)C2)cc1 ZINC000606441282 397681035 /nfs/dbraw/zinc/68/10/35/397681035.db2.gz MMKZFBAOTNFHDB-JECSTDCCSA-N 0 1 323.418 0.428 50 0 DCAAMN COCCC[C@@]1(C(=O)[O-])CCC[N@@H+](CCS(C)(=O)=O)C1 ZINC000091713920 292379197 /nfs/dbraw/zinc/37/91/97/292379197.db2.gz IUANLKFLMKJDTD-ZDUSSCGKSA-N 0 1 307.412 0.624 50 0 DCAAMN C[C@@H]1C[C@@H](C)CN(CCNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000047595743 415275244 /nfs/dbraw/zinc/27/52/44/415275244.db2.gz 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415649004 /nfs/dbraw/zinc/64/90/04/415649004.db2.gz CVRLBQKPQXKUMD-HZSPNIEDSA-N 0 1 319.405 0.999 50 0 DCAAMN Cc1ccc(Cn2nc(CC(N)=O)nc2[C@@H]2C[C@@H](O)CN2)cc1 ZINC000097436826 415589574 /nfs/dbraw/zinc/58/95/74/415589574.db2.gz VAEBVPZIUZGZSH-OLZOCXBDSA-N 0 1 315.377 0.058 50 0 DCAAMN CC(=O)Nc1nc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cs1 ZINC000106867961 415653078 /nfs/dbraw/zinc/65/30/78/415653078.db2.gz ITXUHLBNHNDTKD-QWRGUYRKSA-N 0 1 312.439 0.988 50 0 DCAAMN CC(C)N1CCO[C@H](CN2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000109284613 415682813 /nfs/dbraw/zinc/68/28/13/415682813.db2.gz VXOCZCVOZJMPDT-MRXNPFEDSA-N 0 1 320.437 0.882 50 0 DCAAMN O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@H]1CNCCO1 ZINC000299758480 416064478 /nfs/dbraw/zinc/06/44/78/416064478.db2.gz NPJUMFRWAVYOKO-SNVBAGLBSA-N 0 1 324.287 0.619 50 0 DCAAMN COCCn1cnnc1CCNC(=O)c1ccc2[nH]nnc2c1 ZINC000299790715 416069375 /nfs/dbraw/zinc/06/93/75/416069375.db2.gz BOTJJUUHRXIOQY-UHFFFAOYSA-N 0 1 315.337 0.168 50 0 DCAAMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1COCCO1 ZINC000299803105 416071783 /nfs/dbraw/zinc/07/17/83/416071783.db2.gz WTPAZKVSKLGBHJ-OAHLLOKOSA-N 0 1 305.378 0.578 50 0 DCAAMN COc1ccnc(N2CCC(C(=O)N3CCN[C@@H](C)C3)CC2)n1 ZINC000179180136 416182465 /nfs/dbraw/zinc/18/24/65/416182465.db2.gz LQURVBCLMAFNEM-LBPRGKRZSA-N 0 1 319.409 0.522 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc(CS(N)(=O)=O)cc2)C[C@H](C)N1 ZINC000179147353 416183239 /nfs/dbraw/zinc/18/32/39/416183239.db2.gz AXEZLHAFZITWRR-PHIMTYICSA-N 0 1 311.407 0.298 50 0 DCAAMN CS(=O)(=O)CC[C@@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000195544364 416326798 /nfs/dbraw/zinc/32/67/98/416326798.db2.gz XHEYVUZKUIGRQQ-LLVKDONJSA-N 0 1 316.810 0.991 50 0 DCAAMN COCCNCC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000237142444 416328464 /nfs/dbraw/zinc/32/84/64/416328464.db2.gz NJAIGBXHLBLLFZ-AWEZNQCLSA-N 0 1 323.368 0.625 50 0 DCAAMN CCOC(=O)C[C@](C)(NCC(=O)NC(N)=O)c1ccccc1 ZINC000521393963 417005643 /nfs/dbraw/zinc/00/56/43/417005643.db2.gz CMVSLHFNCPXFRR-HNNXBMFYSA-N 0 1 307.350 0.640 50 0 DCAAMN O=C(NC1(c2nn[nH]n2)CC1)c1cnc(OCC2CC2)cn1 ZINC000355040619 261299525 /nfs/dbraw/zinc/29/95/25/261299525.db2.gz OHYWYHQDCFIRBV-UHFFFAOYSA-N 0 1 301.310 0.198 50 0 DCAAMN COC[C@@H](N)C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1 ZINC000091656438 292816776 /nfs/dbraw/zinc/81/67/76/292816776.db2.gz KGERTPBVCPYDBK-CQSZACIVSA-N 0 1 323.437 0.744 50 0 DCAAMN Cc1cc(CNC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)on1 ZINC000188110734 301277471 /nfs/dbraw/zinc/27/74/71/301277471.db2.gz ABBBSVBSOGFYSQ-GFCCVEGCSA-N 0 1 310.398 0.970 50 0 DCAAMN CCN1CCN(CC(=O)N[C@H](COC)c2ccccn2)CC1 ZINC000534591394 334294287 /nfs/dbraw/zinc/29/42/87/334294287.db2.gz UCJWAFKUGPUWCD-OAHLLOKOSA-N 0 1 306.410 0.523 50 0 DCAAMN O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1ncn[nH]1 ZINC000252488210 337383722 /nfs/dbraw/zinc/38/37/22/337383722.db2.gz INMLCOZZLHJWEF-UHFFFAOYSA-N 0 1 311.227 0.796 50 0 DCAAMN O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1nc[nH]n1 ZINC000252488210 337383723 /nfs/dbraw/zinc/38/37/23/337383723.db2.gz INMLCOZZLHJWEF-UHFFFAOYSA-N 0 1 311.227 0.796 50 0 DCAAMN COc1ccc2nc(CCNC(=O)CCn3cnnn3)[nH]c2c1 ZINC000215813255 545937824 /nfs/dbraw/zinc/93/78/24/545937824.db2.gz QPSOMEWNHBGCTR-UHFFFAOYSA-N 0 1 315.337 0.307 50 0 DCAAMN Nc1n[nH]c(CCNC(=O)CN2CC[C@H](c3ccccc3)C2)n1 ZINC000218787195 545940193 /nfs/dbraw/zinc/94/01/93/545940193.db2.gz IUKBQMQBFOLVNZ-ZDUSSCGKSA-N 0 1 314.393 0.535 50 0 DCAAMN CC(C)(C(=O)N1CCN(Cc2nnc[nH]2)CC1)n1cccc1 ZINC000670446645 547094328 /nfs/dbraw/zinc/09/43/28/547094328.db2.gz WLFQTOJONBUHTJ-UHFFFAOYSA-N 0 1 302.382 0.686 50 0 DCAAMN COc1ccc2[nH]c(CNC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)nc2c1 ZINC000670473460 547101545 /nfs/dbraw/zinc/10/15/45/547101545.db2.gz FZRJMLULHADAGM-NSHDSACASA-N 0 1 314.349 0.481 50 0 DCAAMN Cn1ccnc1[C@@H](O)C1CCN(CCn2cc[nH]c2=O)CC1 ZINC000252508528 660646938 /nfs/dbraw/zinc/64/69/38/660646938.db2.gz XOQIXFTUYDFYLK-ZDUSSCGKSA-N 0 1 305.382 0.356 50 0 DCAAMN C[C@@H](NC(=O)N1CCC(c2nc[nH]n2)CC1)c1nncn1C ZINC000426411587 661579760 /nfs/dbraw/zinc/57/97/60/661579760.db2.gz XEAIRXOUMGUSTF-SECBINFHSA-N 0 1 304.358 0.583 50 0 DCAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000071419491 666067922 /nfs/dbraw/zinc/06/79/22/666067922.db2.gz QGVNAWZESZAVIL-NSHDSACASA-N 0 1 306.366 0.942 50 0 DCAAMN COc1cccc(-c2n[nH]c3c2CN(C[C@H](O)CO)CC3)c1 ZINC000012315631 666439980 /nfs/dbraw/zinc/43/99/80/666439980.db2.gz KDERRSRWCUSVKN-LBPRGKRZSA-N 0 1 303.362 0.797 50 0 DCAAMN C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)[C@H](N)Cc1ccc(O)cc1 ZINC001772709336 1157847572 /nfs/dbraw/zinc/84/75/72/1157847572.db2.gz OLVRRVFGUMNCST-NJZAAPMLSA-N 0 1 317.389 0.484 50 0 DCAAMN Cc1nncn1CCN1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC001772711476 1157848742 /nfs/dbraw/zinc/84/87/42/1157848742.db2.gz ZEYPELJQXDAYLK-AWEZNQCLSA-N 0 1 307.398 0.157 50 0 DCAAMN CNC(=O)c1cccnc1N1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001704302260 1179966089 /nfs/dbraw/zinc/96/60/89/1179966089.db2.gz GKGIEXKVXKMDAH-BXUZGUMPSA-N 0 1 315.377 0.513 50 0 DCAAMN O=c1cc(CN2C[C@@H]3COC[C@H](C2)NC3=O)[nH]c2ccccc12 ZINC001704314045 1179969558 /nfs/dbraw/zinc/96/95/58/1179969558.db2.gz VZWNYHZSDCMQPQ-YPMHNXCESA-N 0 1 313.357 0.475 50 0 DCAAMN Cn1cncc1CN1CCC(CNC(=O)Cn2cccn2)CC1 ZINC000827861431 758894392 /nfs/dbraw/zinc/89/43/92/758894392.db2.gz IDUSGOMVZSVEQA-UHFFFAOYSA-N 0 1 316.409 0.645 50 0 DCAAMN CNC(=O)c1cc(O[C@@H]2CCCN(CC(OC)OC)C2)ccn1 ZINC000585116074 766285095 /nfs/dbraw/zinc/28/50/95/766285095.db2.gz GLFMTRPUVSKZAM-CYBMUJFWSA-N 0 1 323.393 0.903 50 0 DCAAMN CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H]([NH3+])c1ccccc1 ZINC000952878850 768942169 /nfs/dbraw/zinc/94/21/69/768942169.db2.gz JXKDJPQUOBHVQZ-WYRIXSBYSA-N 0 1 320.440 0.095 50 0 DCAAMN Cc1ccc(CN2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)s1 ZINC001529154079 1014508587 /nfs/dbraw/zinc/50/85/87/1014508587.db2.gz GVBBODCTFUKYSS-WCQYABFASA-N 0 1 318.464 0.741 50 0 DCAAMN CCC[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1nn[nH]n1 ZINC000089949614 185271072 /nfs/dbraw/zinc/27/10/72/185271072.db2.gz SQNCCRITWAJAFU-SNVBAGLBSA-N 0 1 315.337 0.500 50 0 DCAAMN COCCOc1cccc(CNC[C@H]2CC(C(N)=O)=NO2)c1 ZINC000225567118 201731829 /nfs/dbraw/zinc/73/18/29/201731829.db2.gz WTXVCYCRZCTPJM-CYBMUJFWSA-N 0 1 307.350 0.432 50 0 DCAAMN CCCn1ccnc1CN1CCN[C@H](C(=O)N2CCCC2)C1 ZINC000072138763 191048195 /nfs/dbraw/zinc/04/81/95/191048195.db2.gz KRYMLXBKOLAFSJ-AWEZNQCLSA-N 0 1 305.426 0.689 50 0 DCAAMN O=C(C[C@@H]1COCCN1)N1CCN(Cc2ccccn2)CC1 ZINC000072122368 191039688 /nfs/dbraw/zinc/03/96/88/191039688.db2.gz OUNGNZHYEFRUAP-OAHLLOKOSA-N 0 1 304.394 0.104 50 0 DCAAMN O=C(NCc1csc(-c2cnccn2)n1)[C@H]1CNCCO1 ZINC000072150857 191055713 /nfs/dbraw/zinc/05/57/13/191055713.db2.gz RGKAQKAJCIPXGE-LLVKDONJSA-N 0 1 305.363 0.205 50 0 DCAAMN Cn1cnnc1-c1ccc(NC(=O)C[C@H]2COCCN2)cc1 ZINC000072172944 191068897 /nfs/dbraw/zinc/06/88/97/191068897.db2.gz USOKCYSFLWTACJ-ZDUSSCGKSA-N 0 1 301.350 0.799 50 0 DCAAMN CN(C)CC(=O)N1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000072270840 191094490 /nfs/dbraw/zinc/09/44/90/191094490.db2.gz VWBZRHNCPGRJNQ-OAHLLOKOSA-N 0 1 309.385 0.565 50 0 DCAAMN 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/nfs/dbraw/zinc/68/67/57/395686757.db2.gz VYLMCEUHLTZZRV-UHFFFAOYSA-N 0 1 310.339 0.651 50 0 DCAAMN O=C(C[C@@H]1C(=O)NCCN1CC1CCCCC1)N1CCCO1 ZINC000011841351 395686879 /nfs/dbraw/zinc/68/68/79/395686879.db2.gz VXXDYTQTAQOPFR-CQSZACIVSA-N 0 1 309.410 0.921 50 0 DCAAMN COC(=O)COc1ccc(/C=C2\NC(=O)NC2=O)cc1OC ZINC000013899394 395688904 /nfs/dbraw/zinc/68/89/04/395688904.db2.gz ZSVISGLRKBGPLW-UITAMQMPSA-N 0 1 306.274 0.427 50 0 DCAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CNC(=O)N1 ZINC000089794424 395715428 /nfs/dbraw/zinc/71/54/28/395715428.db2.gz XVPPRSQTKUINDN-RYUDHWBXSA-N 0 1 306.366 0.604 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@@H](C)Cn2cccn2)C1 ZINC000089840198 395715989 /nfs/dbraw/zinc/71/59/89/395715989.db2.gz MITDBDPRNMGZKN-GJZGRUSLSA-N 0 1 323.441 0.928 50 0 DCAAMN COCc1ccc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)o1 ZINC000096153399 395746716 /nfs/dbraw/zinc/74/67/16/395746716.db2.gz HOXRFTATDLEINS-LLVKDONJSA-N 0 1 309.366 0.353 50 0 DCAAMN Cc1c(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc2cncn21 ZINC000095993640 395740857 /nfs/dbraw/zinc/74/08/57/395740857.db2.gz RZQQNEKAXKXVBF-UHFFFAOYSA-N 0 1 324.406 0.700 50 0 DCAAMN O=C([O-])[C@]12CN(Cc3ncc[nH]3)C[C@H]1C[N@H+](C1CCOCC1)C2 ZINC000096132113 395745789 /nfs/dbraw/zinc/74/57/89/395745789.db2.gz IRJBNNGVDMDTKA-LRDDRELGSA-N 0 1 320.393 0.407 50 0 DCAAMN Cn1cc(N2CC[C@H](N[C@@H](CO)c3ccccc3)C2=O)cn1 ZINC000097081905 395755067 /nfs/dbraw/zinc/75/50/67/395755067.db2.gz MUKGMNKPBMBGKP-GJZGRUSLSA-N 0 1 300.362 0.849 50 0 DCAAMN CC(C)[C@@H](NC(=O)c1cc(=O)c2cccc(F)c2[nH]1)C(N)=O ZINC000097674413 395759780 /nfs/dbraw/zinc/75/97/80/395759780.db2.gz KHNPFXMEJPBSPM-GFCCVEGCSA-N 0 1 305.309 0.907 50 0 DCAAMN Cc1ccc2nc(C(=O)NCCN3CCN(C)CC3)cn2c1 ZINC000097939168 395761446 /nfs/dbraw/zinc/76/14/46/395761446.db2.gz HNDXIEHHVUIJCU-UHFFFAOYSA-N 0 1 301.394 0.620 50 0 DCAAMN COc1ccc(CCNc2c(=O)c(=O)c2NCCN(C)C)cc1 ZINC000101691156 395766555 /nfs/dbraw/zinc/76/65/55/395766555.db2.gz ZALSKAQZAWJENZ-UHFFFAOYSA-N 0 1 317.389 0.919 50 0 DCAAMN 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312.381 0.533 50 0 DCAAMN COCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000169787493 396092665 /nfs/dbraw/zinc/09/26/65/396092665.db2.gz KUOKHAVPJWPJPF-LSDHHAIUSA-N 0 1 320.389 0.972 50 0 DCAAMN O=C(CNc1nc(Cl)nc2[nH]cnc21)Nc1nncs1 ZINC000071280655 396112021 /nfs/dbraw/zinc/11/20/21/396112021.db2.gz DJAVXMPEZSPJFK-UHFFFAOYSA-N 0 1 310.730 0.908 50 0 DCAAMN CC(C)COC[C@@H](C)NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000071897752 396124274 /nfs/dbraw/zinc/12/42/74/396124274.db2.gz KGMCOPBFPGSCQL-ZIAGYGMSSA-N 0 1 300.447 0.593 50 0 DCAAMN CCc1[nH+]ccn1CC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)[O-] ZINC000072474132 396131481 /nfs/dbraw/zinc/13/14/81/396131481.db2.gz KXHIYYFDVSGYTM-ZDUSSCGKSA-N 0 1 303.322 0.379 50 0 DCAAMN CCOC(=O)N1CCC(NCc2c(N)ncnc2OC)CC1 ZINC000075104025 396176103 /nfs/dbraw/zinc/17/61/03/396176103.db2.gz WQCQWPNJFYLGKH-UHFFFAOYSA-N 0 1 309.370 0.778 50 0 DCAAMN CCc1cc(CNC(=O)N2CCN(Cc3ccon3)CC2)n[nH]1 ZINC000076088533 396196101 /nfs/dbraw/zinc/19/61/01/396196101.db2.gz 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ZINC000025440503 415163628 /nfs/dbraw/zinc/16/36/28/415163628.db2.gz AVMSVJMLXVECNY-OAHLLOKOSA-N 0 1 324.446 0.984 50 0 DCAAMN CN(C)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007612679 415140467 /nfs/dbraw/zinc/14/04/67/415140467.db2.gz AKJGTODDLUHRGZ-UHFFFAOYSA-N 0 1 300.380 0.688 50 0 DCAAMN C[C@@H](N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000027132829 415168608 /nfs/dbraw/zinc/16/86/08/415168608.db2.gz VAWAYJOZRRAJFD-SECBINFHSA-N 0 1 310.398 0.215 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000044332071 415219278 /nfs/dbraw/zinc/21/92/78/415219278.db2.gz WJBKZTRALYELSX-KGLIPLIRSA-N 0 1 311.426 0.328 50 0 DCAAMN CCNC(=O)NC(=O)CN1CCN(CCc2cccs2)CC1 ZINC000058157766 415343501 /nfs/dbraw/zinc/34/35/01/415343501.db2.gz UPDZVAFAQQNAET-UHFFFAOYSA-N 0 1 324.450 0.754 50 0 DCAAMN Cc1ncc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)[nH]1 ZINC000072292566 415415812 /nfs/dbraw/zinc/41/58/12/415415812.db2.gz GSEYZGDPYKQXKH-UHFFFAOYSA-N 0 1 315.381 0.537 50 0 DCAAMN O=C(C1CCC1)N(CC1=CCCN(C[C@H](O)CO)C1)C1CC1 ZINC000067688974 415383866 /nfs/dbraw/zinc/38/38/66/415383866.db2.gz PRBKBLIMFXMIEK-INIZCTEOSA-N 0 1 308.422 0.763 50 0 DCAAMN NC(=O)CN1CCN(CCCc2ccccc2)[C@H](CCO)C1 ZINC000106969523 415658123 /nfs/dbraw/zinc/65/81/23/415658123.db2.gz ZSIGEHIYDORLGO-MRXNPFEDSA-N 0 1 305.422 0.473 50 0 DCAAMN Cc1nn(CC(=O)N2CCN(Cc3nnc[nH]3)CC2)cc1Cl ZINC000299760039 416064201 /nfs/dbraw/zinc/06/42/01/416064201.db2.gz UGVRKFTZLRZHDB-UHFFFAOYSA-N 0 1 323.788 0.307 50 0 DCAAMN O=C(CCCn1cnnn1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000299779810 416066747 /nfs/dbraw/zinc/06/67/47/416066747.db2.gz PPLRBNGBFDKETP-UHFFFAOYSA-N 0 1 317.328 0.828 50 0 DCAAMN Cc1ocnc1C(=O)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000299787007 416068787 /nfs/dbraw/zinc/06/87/87/416068787.db2.gz YQLDNMZWFNQGSI-UHFFFAOYSA-N 0 1 313.321 0.612 50 0 DCAAMN NC(=O)N1CCC[C@H](C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000176827922 416135820 /nfs/dbraw/zinc/13/58/20/416135820.db2.gz NTLCHNIFPIFMHH-ZDUSSCGKSA-N 0 1 324.425 0.100 50 0 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184361008 /nfs/dbraw/zinc/36/10/08/184361008.db2.gz ANYMMVOIZLYPRD-UHFFFAOYSA-N 0 1 308.426 0.983 50 0 DCAAMN CC[N@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000006645466 285254166 /nfs/dbraw/zinc/25/41/66/285254166.db2.gz VFTQFIAOSCQNOF-GUYIQFIESA-N 0 1 306.362 0.337 50 0 DCAAMN Cc1cc(C(=O)N2CCN3CCN(C)C[C@H]3C2)c(=O)n(C)c1C ZINC000106242665 257242441 /nfs/dbraw/zinc/24/24/41/257242441.db2.gz DDFDEKHPVBVYRS-AWEZNQCLSA-N 0 1 318.421 0.074 50 0 DCAAMN O=C(NCc1ncc[nH]1)N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000426420134 257251673 /nfs/dbraw/zinc/25/16/73/257251673.db2.gz NEGZFJGXLVUWKG-ZDUSSCGKSA-N 0 1 307.398 0.398 50 0 DCAAMN C[N@H+]1C[C@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@@]2(C(=O)[O-])C1 ZINC000426360196 257253212 /nfs/dbraw/zinc/25/32/12/257253212.db2.gz NZIZCOCCRZNJMH-ZBEGNZNMSA-N 0 1 324.327 0.982 50 0 DCAAMN Cc1cccc(Cn2c3c([nH]c2=NN)n(C)c(=O)n(C)c3=O)c1 ZINC000012559492 395687876 /nfs/dbraw/zinc/68/78/76/395687876.db2.gz YJSUKCVCALRZNJ-UHFFFAOYSA-N 0 1 314.349 0.076 50 0 DCAAMN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H](C)C[C@H](C)C1 ZINC000012909950 395688114 /nfs/dbraw/zinc/68/81/14/395688114.db2.gz IDOMCNAYGAWNAG-AXFHLTTASA-N 0 1 322.409 0.215 50 0 DCAAMN COC(=O)N1C[C@@H](O)[C@H](N2CCCCC2)CN1C(=O)OC ZINC000001275871 395680851 /nfs/dbraw/zinc/68/08/51/395680851.db2.gz MMZZRSKYKIOHML-GHMZBOCLSA-N 0 1 301.343 0.267 50 0 DCAAMN CC1(C)C[C@@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)NC2=O)C1 ZINC000003189462 395682298 /nfs/dbraw/zinc/68/22/98/395682298.db2.gz YSGGTTSALQBGFJ-RFAUZJTJSA-N 0 1 309.366 0.403 50 0 DCAAMN COc1ccc(CCNC(=O)CN2CCN(C)C[C@H]2C)cc1 ZINC000089939052 395716897 /nfs/dbraw/zinc/71/68/97/395716897.db2.gz QJOAEXITUDLBGH-CQSZACIVSA-N 0 1 305.422 0.990 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)CNC(=O)c2ccco2)C1 ZINC000028015582 395695715 /nfs/dbraw/zinc/69/57/15/395695715.db2.gz PDXWFJVDHKOLAM-ZDUSSCGKSA-N 0 1 323.393 0.482 50 0 DCAAMN O=C(Cn1ncc2ccccc2c1=O)N1CCc2nc[nH]c2C1 ZINC000096140866 395746096 /nfs/dbraw/zinc/74/60/96/395746096.db2.gz 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/nfs/dbraw/zinc/25/58/54/396255854.db2.gz GWOYZQJXGJOGSY-NSHDSACASA-N 0 1 319.369 0.510 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(C(=O)CCn3ccnn3)CCO2)n[nH]1 ZINC000078889553 396255858 /nfs/dbraw/zinc/25/58/58/396255858.db2.gz GWOYZQJXGJOGSY-NSHDSACASA-N 0 1 319.369 0.510 50 0 DCAAMN COCCN1C[C@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CC1=O ZINC000184592612 396299403 /nfs/dbraw/zinc/29/94/03/396299403.db2.gz GSNQJDJJXDWAOL-SNVBAGLBSA-N 0 1 307.354 0.506 50 0 DCAAMN COCCN1C[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CC1=O ZINC000184592612 396299405 /nfs/dbraw/zinc/29/94/05/396299405.db2.gz GSNQJDJJXDWAOL-SNVBAGLBSA-N 0 1 307.354 0.506 50 0 DCAAMN C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000375855952 396834136 /nfs/dbraw/zinc/83/41/36/396834136.db2.gz DMDVOMOFSWVVDX-LUGNKYPNSA-N 0 1 323.437 0.611 50 0 DCAAMN O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(-c2nnc[nH]2)c1 ZINC000132215613 287004249 /nfs/dbraw/zinc/00/42/49/287004249.db2.gz AFBYSSIWLMYMCB-GFCCVEGCSA-N 0 1 309.333 0.808 50 0 DCAAMN 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/nfs/dbraw/zinc/74/54/77/548745477.db2.gz BSACXZAVHOJZBY-FZMZJTMJSA-N 0 1 321.377 0.892 50 0 DCAAMN O=C(NCCN1CCC(O)CC1)Nc1ccc2c(c1)OCO2 ZINC000206610337 563621519 /nfs/dbraw/zinc/62/15/19/563621519.db2.gz HEYZZPNPAHJHNK-UHFFFAOYSA-N 0 1 307.350 0.994 50 0 DCAAMN O=C1NC(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)N1 ZINC000106810390 661121982 /nfs/dbraw/zinc/12/19/82/661121982.db2.gz CHDMMMAUCVSAQL-FPLPWBNLSA-N 0 1 308.091 0.952 50 0 DCAAMN Cc1nc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)n[nH]1 ZINC000426381816 661561061 /nfs/dbraw/zinc/56/10/61/661561061.db2.gz VSNJOGHVEPDOQQ-CYBMUJFWSA-N 0 1 322.413 0.509 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc2nnnn2c1 ZINC000426505844 661606578 /nfs/dbraw/zinc/60/65/78/661606578.db2.gz QEWOAHFDECCCEU-STQMWFEESA-N 0 1 316.365 0.107 50 0 DCAAMN O=C(NCCCc1nn[n-]n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000426734186 661704184 /nfs/dbraw/zinc/70/41/84/661704184.db2.gz XWLGGTSOXQEOMR-LBPRGKRZSA-N 0 1 307.402 0.402 50 0 DCAAMN Cc1ccc(F)c(CN[C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)c1 ZINC000014732522 662650698 /nfs/dbraw/zinc/65/06/98/662650698.db2.gz BSJARMZTBHWQEU-OSMZGAPFSA-N 0 1 305.353 0.712 50 0 DCAAMN Cc1nc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)ccc1C(=O)[O-] ZINC000394737753 685267829 /nfs/dbraw/zinc/26/78/29/685267829.db2.gz HLSGGKLBLOVRHQ-GFCCVEGCSA-N 0 1 318.377 0.208 50 0 DCAAMN COc1cccc(NC(=O)NC[C@H](C)N2CCN(C)CC2)n1 ZINC000952995424 685603468 /nfs/dbraw/zinc/60/34/68/685603468.db2.gz LSRIUOGDJUUZAW-LBPRGKRZSA-N 0 1 307.398 0.848 50 0 DCAAMN Cc1ncc(C(=O)N2CCc3nc(C)n(C)c(=O)c3CC2)[nH]1 ZINC000065526519 685064629 /nfs/dbraw/zinc/06/46/29/685064629.db2.gz XQAZPADJIADVTH-UHFFFAOYSA-N 0 1 301.350 0.361 50 0 DCAAMN O=C1CCCN1C[C@@H](O)CN1CCN(c2cccc(O)c2)CC1 ZINC000111683163 685115085 /nfs/dbraw/zinc/11/50/85/685115085.db2.gz WJABYDNEUWOPGI-INIZCTEOSA-N 0 1 319.405 0.498 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3csc(N)n3)C[C@H]2O)n[nH]1 ZINC001704339565 1179979098 /nfs/dbraw/zinc/97/90/98/1179979098.db2.gz MKXHUSHERRLJII-LDYMZIIASA-N 0 1 307.379 0.432 50 0 DCAAMN CCc1nccn1CCC(=O)N1CCN(Cc2nnc[nH]2)CC1 ZINC000823557128 758254074 /nfs/dbraw/zinc/25/40/74/758254074.db2.gz DCNOGKUKRWZSDI-UHFFFAOYSA-N 0 1 317.397 0.298 50 0 DCAAMN NC(=O)Cc1nnc(C2CCN(C(=O)C3CCCC3)CC2)[nH]1 ZINC000827720760 758875253 /nfs/dbraw/zinc/87/52/53/758875253.db2.gz KJECVRVVPYZXHQ-UHFFFAOYSA-N 0 1 305.382 0.729 50 0 DCAAMN NC(=O)Cc1nc(C2CCN(C(=O)C3CCCC3)CC2)n[nH]1 ZINC000827720760 758875264 /nfs/dbraw/zinc/87/52/64/758875264.db2.gz KJECVRVVPYZXHQ-UHFFFAOYSA-N 0 1 305.382 0.729 50 0 DCAAMN Cc1csc(CCNC(=O)[C@H]2CCCN(CC(N)=O)C2)n1 ZINC000952869315 768925312 /nfs/dbraw/zinc/92/53/12/768925312.db2.gz HEBBECBOIYTWPE-NSHDSACASA-N 0 1 310.423 0.308 50 0 DCAAMN Cc1nc2cc(-c3nc(CC(N)=O)nn3CCO)ccc2[nH]1 ZINC000952870320 768926260 /nfs/dbraw/zinc/92/62/60/768926260.db2.gz VYJXEXNGDYILJJ-UHFFFAOYSA-N 0 1 300.322 0.150 50 0 DCAAMN Cc1cnc(CN2CCC[C@H](c3nnc(CO)n3C)C2)cn1 ZINC001529142488 1014505098 /nfs/dbraw/zinc/50/50/98/1014505098.db2.gz OZAKJPUHIOQDSE-LBPRGKRZSA-N 0 1 302.382 0.785 50 0 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0 DCAAMN NC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1 ZINC000002871853 180965203 /nfs/dbraw/zinc/96/52/03/180965203.db2.gz QEJVEGOHVJSCJJ-UHFFFAOYSA-N 0 1 318.362 0.471 50 0 DCAAMN Cc1ccccc1[C@@H](CC(=O)N1CCN[C@H](C)C1)NC(N)=O ZINC000188373268 200236182 /nfs/dbraw/zinc/23/61/82/200236182.db2.gz LASUMRJJNFQUQW-TZMCWYRMSA-N 0 1 304.394 0.915 50 0 DCAAMN O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000006731969 181379297 /nfs/dbraw/zinc/37/92/97/181379297.db2.gz YDYONXSOUBSUGG-CVSAEHQPSA-N 0 1 324.421 0.962 50 0 DCAAMN CC(=O)N(C)c1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 ZINC000020419535 182215856 /nfs/dbraw/zinc/21/58/56/182215856.db2.gz WAAPKJFOCWCZCC-MRXNPFEDSA-N 0 1 321.421 0.656 50 0 DCAAMN Cc1ccc(SCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000023624158 182364728 /nfs/dbraw/zinc/36/47/28/182364728.db2.gz PRJIALPVMFQWQR-OLZOCXBDSA-N 0 1 301.433 0.835 50 0 DCAAMN O=C(Cn1cnnn1)N1CCCN(Cc2ccccc2)CC1 ZINC000041909288 183224218 /nfs/dbraw/zinc/22/42/18/183224218.db2.gz HBMIKFUVTAKVSD-UHFFFAOYSA-N 0 1 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CSTAZZZZEMFZDV-SECBINFHSA-N 0 1 304.441 0.451 50 0 DCAAMN O=C(C[N@@H+]1CCC[C@H](c2ccn(CCO)n2)C1)N1CCCC1 ZINC000426549199 257247265 /nfs/dbraw/zinc/24/72/65/257247265.db2.gz SEFNRGBWTYOVSA-AWEZNQCLSA-N 0 1 306.410 0.677 50 0 DCAAMN O=C(CN1CCC[C@H](c2ccn(CCO)n2)C1)N1CCCC1 ZINC000426549199 257247266 /nfs/dbraw/zinc/24/72/66/257247266.db2.gz SEFNRGBWTYOVSA-AWEZNQCLSA-N 0 1 306.410 0.677 50 0 DCAAMN COc1cc(NS(=O)(=O)c2cnc(N)nc2)cc(OC)c1 ZINC000008600338 395684718 /nfs/dbraw/zinc/68/47/18/395684718.db2.gz INJKQIDZKUHGLW-UHFFFAOYSA-N 0 1 310.335 0.877 50 0 DCAAMN Cc1nn2c([nH]c(SCC(N)=O)nc2=O)c1-c1ccccc1 ZINC000009107408 395685226 /nfs/dbraw/zinc/68/52/26/395685226.db2.gz AOLXYGUFDICJDP-UHFFFAOYSA-N 0 1 315.358 0.970 50 0 DCAAMN CCOC(=O)c1noc2ncnc(N3CCN(CC)CC3)c12 ZINC000015735173 395690221 /nfs/dbraw/zinc/69/02/21/395690221.db2.gz HWUYIWJGNGRBRX-UHFFFAOYSA-N 0 1 305.338 0.936 50 0 DCAAMN CNC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 ZINC000005082332 395682640 /nfs/dbraw/zinc/68/26/40/395682640.db2.gz DBNBPVRDFDRZLF-UHFFFAOYSA-N 0 1 323.334 0.036 50 0 DCAAMN O=C(CN1CCN(C[C@@H](O)C2CC2)CC1)NCc1ccccc1 ZINC000085436834 395700288 /nfs/dbraw/zinc/70/02/88/395700288.db2.gz JCELQGMZLRDHGR-QGZVFWFLSA-N 0 1 317.433 0.691 50 0 DCAAMN Cc1ccn2cc(C(=O)NCCN3CCN(C)CC3)nc2c1 ZINC000089700901 395714516 /nfs/dbraw/zinc/71/45/16/395714516.db2.gz BDRSEWDEBKSVJC-UHFFFAOYSA-N 0 1 301.394 0.620 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N1CCNC1=O ZINC000089930503 395717304 /nfs/dbraw/zinc/71/73/04/395717304.db2.gz WCCWTWTVZRPQAJ-CHWSQXEVSA-N 0 1 308.382 0.014 50 0 DCAAMN O=C(N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1)c1cc(=O)[n-]o1 ZINC000091452615 395724727 /nfs/dbraw/zinc/72/47/27/395724727.db2.gz OJMKJUXBFFZTFA-OLZOCXBDSA-N 0 1 321.377 0.999 50 0 DCAAMN CCc1[nH+]ccn1CCC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000096136676 395745601 /nfs/dbraw/zinc/74/56/01/395745601.db2.gz DEWCPQNSHVUIJP-LBPRGKRZSA-N 0 1 317.349 0.597 50 0 DCAAMN COc1cc2cc(C(=O)Nc3nn[nH]n3)n(C)c2cc1OC ZINC000096117388 395745843 /nfs/dbraw/zinc/74/58/43/395745843.db2.gz VJZAWMXDHRBTNJ-UHFFFAOYSA-N 0 1 302.294 0.961 50 0 DCAAMN Cc1nc(C)n(C[C@H]2CCCN2CC(=O)N2CCO[C@@H](C)C2)n1 ZINC000106664376 395784103 /nfs/dbraw/zinc/78/41/03/395784103.db2.gz DPNTWEFHROFVDW-SWLSCSKDSA-N 0 1 321.425 0.607 50 0 DCAAMN O=C([O-])[C@H]1CN(C(=O)c2cn[nH]c2)CC[N@H+](C2CCOCC2)C1 ZINC000097657315 395760064 /nfs/dbraw/zinc/76/00/64/395760064.db2.gz YWWXWNSRCSQONQ-GFCCVEGCSA-N 0 1 322.365 0.047 50 0 DCAAMN C[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000100511212 395763214 /nfs/dbraw/zinc/76/32/14/395763214.db2.gz QDQGTFOFWWKDEQ-CYBMUJFWSA-N 0 1 317.345 0.264 50 0 DCAAMN Cc1nnc(SCC(=O)NCCCn2c(C)cccc2=O)[nH]1 ZINC000221324598 395850227 /nfs/dbraw/zinc/85/02/27/395850227.db2.gz PBGQHTDNUQWVJC-UHFFFAOYSA-N 0 1 321.406 0.882 50 0 DCAAMN Cc1n[nH]c(SCC(=O)NCCCn2c(C)cccc2=O)n1 ZINC000221324598 395850230 /nfs/dbraw/zinc/85/02/30/395850230.db2.gz PBGQHTDNUQWVJC-UHFFFAOYSA-N 0 1 321.406 0.882 50 0 DCAAMN Cc1cccc([C@H](CC(=O)N2CCNC[C@@H]2C)NC(N)=O)c1 ZINC000125782191 395905588 /nfs/dbraw/zinc/90/55/88/395905588.db2.gz ZPTPZBRQMRUUMJ-JSGCOSHPSA-N 0 1 304.394 0.915 50 0 DCAAMN Cc1ccnc(NCCNC(=O)CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000244874532 395926219 /nfs/dbraw/zinc/92/62/19/395926219.db2.gz XCYGPNLMRCNEBR-AWEZNQCLSA-N 0 1 305.426 0.554 50 0 DCAAMN C[C@H](CCc1cccc(F)c1)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000230104184 395878081 /nfs/dbraw/zinc/87/80/81/395878081.db2.gz SCCPGHDSNBTMEL-DOMZBBRYSA-N 0 1 319.380 0.789 50 0 DCAAMN CC(C)Cc1cc(CN2CCN3CCN(C)C(=O)[C@@H]3C2)n[nH]1 ZINC000067654437 396030059 /nfs/dbraw/zinc/03/00/59/396030059.db2.gz DVEYLTYNUJMOQS-HNNXBMFYSA-N 0 1 305.426 0.566 50 0 DCAAMN Nc1nc(=O)cc(N2CCN(CCCc3cccnc3)CC2)[nH]1 ZINC000253537233 396030496 /nfs/dbraw/zinc/03/04/96/396030496.db2.gz GDMNSPGLYNHWDR-UHFFFAOYSA-N 0 1 314.393 0.914 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2[nH]cnc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000067805411 396034426 /nfs/dbraw/zinc/03/44/26/396034426.db2.gz ZCDKLKBWZBAOLW-LBPRGKRZSA-N 0 1 314.345 0.918 50 0 DCAAMN Cc1noc([C@@]23CN(C(=O)C(C)C)C[C@@H]2CCN(CCO)C3)n1 ZINC000257192744 396035154 /nfs/dbraw/zinc/03/51/54/396035154.db2.gz VPVGIAJBKPWXAZ-BBRMVZONSA-N 0 1 322.409 0.428 50 0 DCAAMN CC(C)(O)CN1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000069844212 396092311 /nfs/dbraw/zinc/09/23/11/396092311.db2.gz IYWYHVVFMDHTHH-UHFFFAOYSA-N 0 1 312.332 0.871 50 0 DCAAMN COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1 ZINC000169785288 396092810 /nfs/dbraw/zinc/09/28/10/396092810.db2.gz CMDUQKUZTVKZMB-SNVBAGLBSA-N 0 1 323.378 0.777 50 0 DCAAMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000169785282 396092830 /nfs/dbraw/zinc/09/28/30/396092830.db2.gz NKGUKFLYMNXNQA-SECBINFHSA-N 0 1 312.355 0.373 50 0 DCAAMN C[C@H](C(=O)NC(N)=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000070009343 396097496 /nfs/dbraw/zinc/09/74/96/396097496.db2.gz WNFOXZFGTKIXAK-OLZOCXBDSA-N 0 1 324.425 0.684 50 0 DCAAMN COCCn1nc(C(=O)N2CCN3CCCC[C@H]3C2)ccc1=O ZINC000071839925 396118412 /nfs/dbraw/zinc/11/84/12/396118412.db2.gz JSCQDAYMSSSQPI-ZDUSSCGKSA-N 0 1 320.393 0.200 50 0 DCAAMN Cc1cc(C[C@H](C)NC(=O)CN2C(=O)NC(C)(C)C2=O)n[nH]1 ZINC000162450747 396081468 /nfs/dbraw/zinc/08/14/68/396081468.db2.gz BGTNXDDYTMMSIS-QMMMGPOBSA-N 0 1 307.354 0.096 50 0 DCAAMN Cc1noc(C)c1CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000078789300 396254357 /nfs/dbraw/zinc/25/43/57/396254357.db2.gz CVMJQAXWMGMIIQ-LSDHHAIUSA-N 0 1 307.394 0.892 50 0 DCAAMN Cc1noc(C)c1CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000078789297 396254766 /nfs/dbraw/zinc/25/47/66/396254766.db2.gz CVMJQAXWMGMIIQ-HUUCEWRRSA-N 0 1 307.394 0.892 50 0 DCAAMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)COc2cccnc2)C1 ZINC000285842877 396357255 /nfs/dbraw/zinc/35/72/55/396357255.db2.gz PWZBIOIEUOYBGU-NEPJUHHUSA-N 0 1 303.322 0.567 50 0 DCAAMN O=C(CN1CCC[C@@H](O)C1)NCc1n[nH]c2c1CCCCC2 ZINC000584886538 396632158 /nfs/dbraw/zinc/63/21/58/396632158.db2.gz WCJMUJNGHYTJFJ-GFCCVEGCSA-N 0 1 306.410 0.752 50 0 DCAAMN Cc1n[nH]c(C)c1CCCN(C)C(=O)CN1CCC[C@H](O)C1 ZINC000584900036 396636422 /nfs/dbraw/zinc/63/64/22/396636422.db2.gz UYWCEYCQZZMLNX-AWEZNQCLSA-N 0 1 308.426 0.874 50 0 DCAAMN CC(C)N1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000044909687 415230325 /nfs/dbraw/zinc/23/03/25/415230325.db2.gz GHKNYCKZISMVEA-CYBMUJFWSA-N 0 1 317.455 0.211 50 0 DCAAMN CC(C)[C@@H](C)NC(=O)C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000058296610 415340074 /nfs/dbraw/zinc/34/00/74/415340074.db2.gz UECYOFMJUMCZHC-MNOVXSKESA-N 0 1 312.414 0.443 50 0 DCAAMN O=S(=O)(NCC1(O)CCOCC1)c1c(F)cccc1F ZINC000075158056 415436404 /nfs/dbraw/zinc/43/64/04/415436404.db2.gz NPSNHECXNGJMAV-UHFFFAOYSA-N 0 1 307.318 0.785 50 0 DCAAMN CC(C)[C@@H]1CN(Cc2cnc[nH]2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095372072 415552708 /nfs/dbraw/zinc/55/27/08/415552708.db2.gz RWHALEWJGOSDBU-QWHCGFSZSA-N 0 1 315.443 0.262 50 0 DCAAMN Cc1cc(NC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000106868087 415653259 /nfs/dbraw/zinc/65/32/59/415653259.db2.gz CRUPMFZLSFREGK-QWHCGFSZSA-N 0 1 309.414 0.054 50 0 DCAAMN Cc1ccccc1[C@@H]1CN(C(=O)CNC(=O)CN)[C@@H](C)CO1 ZINC000124968464 415854856 /nfs/dbraw/zinc/85/48/56/415854856.db2.gz DRNYFKCQXZERCU-JSGCOSHPSA-N 0 1 305.378 0.358 50 0 DCAAMN C[N@H+]1C[C@H](NC(=O)Cc2noc3ccccc32)C[C@H]1C(=O)[O-] ZINC000299756414 416063770 /nfs/dbraw/zinc/06/37/70/416063770.db2.gz DSDHTZBKDGIWHR-SKDRFNHKSA-N 0 1 303.318 0.644 50 0 DCAAMN C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299760351 416065008 /nfs/dbraw/zinc/06/50/08/416065008.db2.gz QLJVSZRSFNKNMM-LLVKDONJSA-N 0 1 301.350 0.583 50 0 DCAAMN Cc1cc(C)nc(S[C@@H](C)C(=O)NCCc2nn[nH]n2)n1 ZINC000299768979 416066053 /nfs/dbraw/zinc/06/60/53/416066053.db2.gz KQFSRLWEGWKBPR-VIFPVBQESA-N 0 1 307.383 0.446 50 0 DCAAMN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CC(N2CCCCC2)C1 ZINC000299774518 416066341 /nfs/dbraw/zinc/06/63/41/416066341.db2.gz DNSSPKBVXUDRHS-HNNXBMFYSA-N 0 1 319.409 0.154 50 0 DCAAMN Cn1nccc1S(=O)(=O)NCCN1CCCC(C)(C)C1 ZINC000331264811 416297687 /nfs/dbraw/zinc/29/76/87/416297687.db2.gz BAHQHWYSJKWHRE-UHFFFAOYSA-N 0 1 300.428 0.820 50 0 DCAAMN CCOCCN1CCN(c2ncnc3c2cnn3C)C[C@H]1C ZINC000239359617 416329986 /nfs/dbraw/zinc/32/99/86/416329986.db2.gz AEXNMVBHCREYDE-GFCCVEGCSA-N 0 1 304.398 0.910 50 0 DCAAMN CCCCNC(=O)[C@H](C)N1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000585116195 416518447 /nfs/dbraw/zinc/51/84/47/416518447.db2.gz KTRCZNVLWYEIQB-QWRGUYRKSA-N 0 1 307.398 0.859 50 0 DCAAMN O=S(=O)(N1CCCCC1)N1CCN(C2CCOCC2)CC1 ZINC000369967070 416861129 /nfs/dbraw/zinc/86/11/29/416861129.db2.gz KAPOWTOTXLHMPF-UHFFFAOYSA-N 0 1 317.455 0.514 50 0 DCAAMN CN1CCN(C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771154 277107982 /nfs/dbraw/zinc/10/79/82/277107982.db2.gz UMKHHVFLPHOCOC-LSDHHAIUSA-N 0 1 322.405 0.451 50 0 DCAAMN CC1(C)CN(c2ncccn2)CC[C@@]1(O)CN1CCOCC1 ZINC000091914603 281272235 /nfs/dbraw/zinc/27/22/35/281272235.db2.gz UWDIJFMWTQEDQT-MRXNPFEDSA-N 0 1 306.410 0.776 50 0 DCAAMN Cc1nc(N(C)C)nc(N2CCN(CC(=O)N(C)C)CC2)c1C ZINC000065491694 281915464 /nfs/dbraw/zinc/91/54/64/281915464.db2.gz BHXVBMFIXAUGTQ-UHFFFAOYSA-N 0 1 320.441 0.370 50 0 DCAAMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(C)CC1 ZINC000025561566 331602256 /nfs/dbraw/zinc/60/22/56/331602256.db2.gz XIQJJMDXZDBZSW-OAHLLOKOSA-N 0 1 322.405 0.885 50 0 DCAAMN O=C(CCCn1cncn1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000084618658 545702843 /nfs/dbraw/zinc/70/28/43/545702843.db2.gz AXVGLTPNHJIJKU-UONOGXRCSA-N 0 1 307.398 0.116 50 0 DCAAMN NC(=O)CN1CCC[C@H](C(=O)NC2(CO)CCCCCC2)C1 ZINC000952973733 665835367 /nfs/dbraw/zinc/83/53/67/665835367.db2.gz PBWHNRDERAWLIC-ZDUSSCGKSA-N 0 1 311.426 0.385 50 0 DCAAMN COc1cccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1O ZINC000863947755 667196343 /nfs/dbraw/zinc/19/63/43/667196343.db2.gz DZSUJIGRKFYXPM-WCQYABFASA-N 0 1 307.394 0.765 50 0 DCAAMN CCOC(=O)/C=C\CN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000857707339 670940257 /nfs/dbraw/zinc/94/02/57/670940257.db2.gz JVVXOIXLFGQMNM-JMLQGUJRSA-N 0 1 306.366 0.401 50 0 DCAAMN Cc1ncc(CO)c(C[NH2+]CCN2CCCC[C@@H]2CO)c1[O-] ZINC000952962477 685598070 /nfs/dbraw/zinc/59/80/70/685598070.db2.gz BSRURLXSKIEOLW-CQSZACIVSA-N 0 1 309.410 0.524 50 0 DCAAMN Cn1cc(CN2CCC(CNC(=O)[C@@H]3CCOC3)CC2)cn1 ZINC000952975221 685600039 /nfs/dbraw/zinc/60/00/39/685600039.db2.gz HYELHQZRIFEDGS-OAHLLOKOSA-N 0 1 306.410 0.785 50 0 DCAAMN O=C(CCc1cn[nH]c1)N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000952974177 685600120 /nfs/dbraw/zinc/60/01/20/685600120.db2.gz LHYFNXDTJWFVEA-HNNXBMFYSA-N 0 1 306.410 0.648 50 0 DCAAMN Cn1nccc1CN1CCC(CNC(=O)[C@@H]2CCOC2)CC1 ZINC000952977676 685601248 /nfs/dbraw/zinc/60/12/48/685601248.db2.gz OOHTYNVDEHWQTK-CQSZACIVSA-N 0 1 306.410 0.785 50 0 DCAAMN CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1nnc3n1CCCCC3)C2 ZINC001704306525 1179968564 /nfs/dbraw/zinc/96/85/64/1179968564.db2.gz OCSZOVRHSDOEMD-STQMWFEESA-N 0 1 319.409 0.407 50 0 DCAAMN CCc1cnc(N2C[C@@H]3COC[C@H](C2)[N@@H+](CC(=O)[O-])C3)nc1 ZINC001704312309 1179969136 /nfs/dbraw/zinc/96/91/36/1179969136.db2.gz PCFONPNHABQNQX-OLZOCXBDSA-N 0 1 306.366 0.261 50 0 DCAAMN CN1C[C@H]2COC[C@@H]1CN(C(=O)Cn1cc3ccccc3n1)C2 ZINC001704310131 1179969579 /nfs/dbraw/zinc/96/95/79/1179969579.db2.gz PCIMKNPZLLDBRQ-HIFRSBDPSA-N 0 1 314.389 0.825 50 0 DCAAMN Cc1ncc(CN(CCO)C(=O)CCN2CCCCCC2=O)[nH]1 ZINC001704314555 1179971620 /nfs/dbraw/zinc/97/16/20/1179971620.db2.gz UTIJJMIRVIPCJL-UHFFFAOYSA-N 0 1 322.409 0.832 50 0 DCAAMN COc1ccc(C(=O)N(CCO)Cc2cnc(C)[nH]2)c(OC)n1 ZINC001704340780 1179979020 /nfs/dbraw/zinc/97/90/20/1179979020.db2.gz UGCQNGHIUKJKQZ-UHFFFAOYSA-N 0 1 320.349 0.765 50 0 DCAAMN Cc1nn[nH]c1C(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 ZINC001704344502 1179980837 /nfs/dbraw/zinc/98/08/37/1179980837.db2.gz OVTXBZBJKKJBEZ-OAHLLOKOSA-N 0 1 313.365 0.606 50 0 DCAAMN Cc1nnc([C@@H]2CCN(CCCO)CCN2C(=O)C(C)C)[nH]1 ZINC000675014674 748026906 /nfs/dbraw/zinc/02/69/06/748026906.db2.gz YKXIJEAHSUOLQQ-ZDUSSCGKSA-N 0 1 309.414 0.727 50 0 DCAAMN CCNC(=O)[C@H]1CC[C@@](C)(c2nnc(CC(N)=O)[nH]2)C1(C)C ZINC000823128477 758226147 /nfs/dbraw/zinc/22/61/47/758226147.db2.gz UTQSWMKXLQQRBO-PSLIRLAXSA-N 0 1 307.398 0.663 50 0 DCAAMN CCNC(=O)[C@H]1CC[C@@](C)(c2n[nH]c(CC(N)=O)n2)C1(C)C ZINC000823128477 758226159 /nfs/dbraw/zinc/22/61/59/758226159.db2.gz UTQSWMKXLQQRBO-PSLIRLAXSA-N 0 1 307.398 0.663 50 0 DCAAMN O=S(=O)(CC1CCCC1)NC[C@H]1CCCN(CCO)C1 ZINC000828760487 759102564 /nfs/dbraw/zinc/10/25/64/759102564.db2.gz SFGKSIIKWWQIMF-CQSZACIVSA-N 0 1 304.456 0.800 50 0 DCAAMN Cn1nccc1C(=O)N1CCC[C@@H](CN2CCOCC2)CC1 ZINC000581788169 760249345 /nfs/dbraw/zinc/24/93/45/760249345.db2.gz WLSKIFFSAXKICG-CQSZACIVSA-N 0 1 306.410 0.995 50 0 DCAAMN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN[C@@H](CCO)C1 ZINC000952884294 768952242 /nfs/dbraw/zinc/95/22/42/768952242.db2.gz ZHIFJNWABZJJGJ-IHRRRGAJSA-N 0 1 300.399 0.143 50 0 DCAAMN CCn1nc(C)cc1C(=O)N1C[C@@H](Cc2cc(C)[nH]n2)[C@H](O)C1 ZINC001529146012 1014504655 /nfs/dbraw/zinc/50/46/55/1014504655.db2.gz TXTXLVLKYBTIQZ-IUODEOHRSA-N 0 1 317.393 0.919 50 0 DCAAMN Cc1ccc(C(=O)Nc2nnc(CCN(C)C)s2)c(=O)n1C ZINC001529186958 1014516437 /nfs/dbraw/zinc/51/64/37/1014516437.db2.gz NFQATEPFQGXZKY-UHFFFAOYSA-N 0 1 321.406 0.902 50 0 DCAAMN CCCc1cc(C(=O)NCCN2CCCC[C@@H]2CO)n(C)n1 ZINC000082156489 192362912 /nfs/dbraw/zinc/36/29/12/192362912.db2.gz NZDDXODMOATDDF-CQSZACIVSA-N 0 1 308.426 0.949 50 0 DCAAMN CCc1nc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)n[nH]1 ZINC000097096306 185409207 /nfs/dbraw/zinc/40/92/07/185409207.db2.gz LJUQBWRRCDVTLP-VIFPVBQESA-N 0 1 321.406 0.966 50 0 DCAAMN Cc1nnc(SCCCNC(=O)[C@H]2CNCCO2)s1 ZINC000072138974 191048526 /nfs/dbraw/zinc/04/85/26/191048526.db2.gz VFYWHSGNIOCPCC-SECBINFHSA-N 0 1 302.425 0.433 50 0 DCAAMN OC[C@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1O ZINC000072165405 191064771 /nfs/dbraw/zinc/06/47/71/191064771.db2.gz AZLOTIQJWNKLSU-UKRRQHHQSA-N 0 1 300.362 0.714 50 0 DCAAMN O=C(C[C@@H]1COCCN1)NCCc1noc(C2CCCC2)n1 ZINC000072164465 191065209 /nfs/dbraw/zinc/06/52/09/191065209.db2.gz RPIKUNLFPDZTIH-GFCCVEGCSA-N 0 1 308.382 0.764 50 0 DCAAMN O=C(C[C@@H]1COCCN1)NCc1ccc(N2CCCC2=O)cc1 ZINC000072172947 191069711 /nfs/dbraw/zinc/06/97/11/191069711.db2.gz ADHGQNJYWGEYRZ-CQSZACIVSA-N 0 1 317.389 0.808 50 0 DCAAMN CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000253393862 186303481 /nfs/dbraw/zinc/30/34/81/186303481.db2.gz CFGMZBHTNWDXII-UHFFFAOYSA-N 0 1 324.362 0.787 50 0 DCAAMN CCc1cc(NCC(=O)N2CCNCC2)n2nc(C)c(C)c2n1 ZINC000072419074 191156459 /nfs/dbraw/zinc/15/64/59/191156459.db2.gz POCUVEWQNUYVBB-UHFFFAOYSA-N 0 1 316.409 0.752 50 0 DCAAMN CCn1ncnc1[C@H](C)NC(=O)CCc1cc2n(n1)CCNC2 ZINC000072430965 191162998 /nfs/dbraw/zinc/16/29/98/191162998.db2.gz FRJBRJCHRYLNHP-NSHDSACASA-N 0 1 317.397 0.408 50 0 DCAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CNCCO3)CC2)c1 ZINC000072423704 191157990 /nfs/dbraw/zinc/15/79/90/191157990.db2.gz BKUWJCAKHWJHEE-MRXNPFEDSA-N 0 1 303.406 0.940 50 0 DCAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)c1 ZINC000072423703 191158336 /nfs/dbraw/zinc/15/83/36/191158336.db2.gz BKUWJCAKHWJHEE-INIZCTEOSA-N 0 1 303.406 0.940 50 0 DCAAMN CCOc1ccc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)cc1 ZINC000072425788 191160547 /nfs/dbraw/zinc/16/05/47/191160547.db2.gz MAIMUADSMATOTQ-XJKSGUPXSA-N 0 1 304.346 0.718 50 0 DCAAMN CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccncc2)n[nH]1 ZINC000005531767 181254624 /nfs/dbraw/zinc/25/46/24/181254624.db2.gz BBSSBWVMQYTWQV-ZETCQYMHSA-N 0 1 306.351 0.803 50 0 DCAAMN CCc1ccc(CN(C)C(=O)CN2CCC(C(N)=O)CC2)nc1 ZINC000091604511 193078904 /nfs/dbraw/zinc/07/89/04/193078904.db2.gz LYDHATPLCGWTIG-UHFFFAOYSA-N 0 1 318.421 0.800 50 0 DCAAMN Cc1c(C(=O)N2CCNC[C@@H]2C)sc2ncn(C)c(=O)c12 ZINC000125658786 291502882 /nfs/dbraw/zinc/50/28/82/291502882.db2.gz KCDMBAVNPCFUIE-QMMMGPOBSA-N 0 1 306.391 0.737 50 0 DCAAMN COc1cc(CN2CCN(CCO)CC2)cc(OC)c1OC ZINC000019606563 182133277 /nfs/dbraw/zinc/13/32/77/182133277.db2.gz VBOHOAFGQLCOFC-UHFFFAOYSA-N 0 1 310.394 0.822 50 0 DCAAMN Cc1ccc(CS(=O)(=O)NCCN2CCN(C)CC2)cc1 ZINC000022935211 182342637 /nfs/dbraw/zinc/34/26/37/182342637.db2.gz VQOFPFGCXJORHF-UHFFFAOYSA-N 0 1 311.451 0.662 50 0 DCAAMN Cc1ccc(SCCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000023624161 182364744 /nfs/dbraw/zinc/36/47/44/182364744.db2.gz PRJIALPVMFQWQR-STQMWFEESA-N 0 1 301.433 0.835 50 0 DCAAMN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000041653016 183213952 /nfs/dbraw/zinc/21/39/52/183213952.db2.gz ZNOPAYYTMOYVAX-SNVBAGLBSA-N 0 1 322.390 0.717 50 0 DCAAMN C[C@@H](CNc1nc2c(c(=O)[n-]1)CC[NH2+]CC2)Oc1cccnc1 ZINC000063856224 184289952 /nfs/dbraw/zinc/28/99/52/184289952.db2.gz ZTPCUNUJVKVZBC-NSHDSACASA-N 0 1 315.377 0.733 50 0 DCAAMN COCCN1CCCN(C(=O)N[C@H](C)Cn2cccn2)CC1 ZINC000065440698 184345511 /nfs/dbraw/zinc/34/55/11/184345511.db2.gz NLLXVXNWRBRYIL-CQSZACIVSA-N 0 1 309.414 0.635 50 0 DCAAMN NC(=O)[C@H]1CCN(CC(=O)NCCCCc2ccccc2)C1 ZINC000065553233 184365245 /nfs/dbraw/zinc/36/52/45/184365245.db2.gz XBNOYNMJBQVJEU-HNNXBMFYSA-N 0 1 303.406 0.933 50 0 DCAAMN O=C(NCCCc1nn[n-]n1)N1CCN(c2ccccn2)CC1 ZINC000426581071 257245935 /nfs/dbraw/zinc/24/59/35/257245935.db2.gz ZDOOGTQVAXLGRU-UHFFFAOYSA-N 0 1 316.369 0.059 50 0 DCAAMN O=C(C1CCC1)N1CCn2nc(CN[C@@H]3CCOC3)cc2C1 ZINC000426388104 257252153 /nfs/dbraw/zinc/25/21/53/257252153.db2.gz BPQSBOPMERZODL-CYBMUJFWSA-N 0 1 304.394 0.904 50 0 DCAAMN COc1ncc(C(=O)N2CCC(CN3CCOCC3)CC2)cn1 ZINC000426380350 257252760 /nfs/dbraw/zinc/25/27/60/257252760.db2.gz IMARPSGEWZWNKU-UHFFFAOYSA-N 0 1 320.393 0.670 50 0 DCAAMN Cc1nn(C)c(C)c1CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000089505726 395712611 /nfs/dbraw/zinc/71/26/11/395712611.db2.gz IEKSBWHLPOVXPY-HZPDHXFCSA-N 0 1 320.437 0.637 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-]C[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000037989558 395730490 /nfs/dbraw/zinc/73/04/90/395730490.db2.gz ZQKVWVYHOIWBJU-SECBINFHSA-N 0 1 318.830 0.836 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-]C[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000037989558 395730492 /nfs/dbraw/zinc/73/04/92/395730492.db2.gz ZQKVWVYHOIWBJU-SECBINFHSA-N 0 1 318.830 0.836 50 0 DCAAMN CCN1C(=O)N[C@](C)([C@H]2CCCN(CC(=O)NC3CC3)C2)C1=O ZINC000095402596 395740349 /nfs/dbraw/zinc/74/03/49/395740349.db2.gz JYWZEECPYZPRSG-MEDUHNTESA-N 0 1 322.409 0.307 50 0 DCAAMN Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)on1 ZINC000096138238 395746293 /nfs/dbraw/zinc/74/62/93/395746293.db2.gz XSDDKMDDZFXJNR-MLGOLLRUSA-N 0 1 319.361 0.738 50 0 DCAAMN O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1ncn[nH]1 ZINC000218850285 395844037 /nfs/dbraw/zinc/84/40/37/395844037.db2.gz IOSIOYBADJWIDF-YIZWMMSDSA-N 0 1 314.345 0.982 50 0 DCAAMN O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1nc[nH]n1 ZINC000218850285 395844039 /nfs/dbraw/zinc/84/40/39/395844039.db2.gz IOSIOYBADJWIDF-YIZWMMSDSA-N 0 1 314.345 0.982 50 0 DCAAMN O=C(COC[C@H]1CCCCO1)NCCSc1cn[nH]n1 ZINC000219152357 395844733 /nfs/dbraw/zinc/84/47/33/395844733.db2.gz MNGOZKYXPZWZGN-SNVBAGLBSA-N 0 1 300.384 0.599 50 0 DCAAMN CCO[C@@H]1COCC[C@H]1NC(=O)CSc1nnc(C)[nH]1 ZINC000223911399 395857559 /nfs/dbraw/zinc/85/75/59/395857559.db2.gz UGDPFIBAUOYEME-NXEZZACHSA-N 0 1 300.384 0.515 50 0 DCAAMN CCO[C@@H]1COCC[C@H]1NC(=O)CSc1nc(C)n[nH]1 ZINC000223911399 395857561 /nfs/dbraw/zinc/85/75/61/395857561.db2.gz UGDPFIBAUOYEME-NXEZZACHSA-N 0 1 300.384 0.515 50 0 DCAAMN C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccc(F)c2O1)c1nn[nH]n1 ZINC000124578865 395900952 /nfs/dbraw/zinc/90/09/52/395900952.db2.gz GHXBRNYUWTXQJI-KWQFWETISA-N 0 1 305.313 0.904 50 0 DCAAMN C[C@@H]1CN(C[C@@H](O)Cn2nnc(-c3ccsc3)n2)C[C@H](C)O1 ZINC000225708904 395862939 /nfs/dbraw/zinc/86/29/39/395862939.db2.gz LRRBZAOOCIKYLI-NTZNESFSSA-N 0 1 323.422 0.872 50 0 DCAAMN C[C@H]1CN(C[C@@H](O)Cn2cccn2)CCN1Cc1nccn1C ZINC000229527145 395874830 /nfs/dbraw/zinc/87/48/30/395874830.db2.gz MKYCNWYWZDMQHZ-LSDHHAIUSA-N 0 1 318.425 0.184 50 0 DCAAMN CCN1CC[C@H](CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000252510644 396022595 /nfs/dbraw/zinc/02/25/95/396022595.db2.gz BAIHMVBMEPJJSR-NEPJUHHUSA-N 0 1 303.428 0.157 50 0 DCAAMN CC[C@@H]1CN(CC(=O)Nc2nncs2)CCN1CCOC ZINC000069841414 396091898 /nfs/dbraw/zinc/09/18/98/396091898.db2.gz 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/nfs/dbraw/zinc/20/97/61/396209761.db2.gz TUAHNSVICAMPPN-CQSZACIVSA-N 0 1 311.349 0.805 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)[C@H](C)OCC(F)(F)F)CCO2)n[nH]1 ZINC000076045556 396193044 /nfs/dbraw/zinc/19/30/44/396193044.db2.gz XRVBHWAAJNRIQK-IONNQARKSA-N 0 1 322.287 0.980 50 0 DCAAMN COc1cccc(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)c1 ZINC000262965303 396194603 /nfs/dbraw/zinc/19/46/03/396194603.db2.gz QUKIEMDXYWALSM-AWEZNQCLSA-N 0 1 322.361 0.553 50 0 DCAAMN CC(C)c1n[nH]c([C@@H]2CN(C(=O)Cn3cncn3)CCO2)n1 ZINC000078888911 396256018 /nfs/dbraw/zinc/25/60/18/396256018.db2.gz TXJQYTVXMLDLTI-JTQLQIEISA-N 0 1 305.342 0.120 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(C(=O)Cn3cncn3)CCO2)n[nH]1 ZINC000078888911 396256022 /nfs/dbraw/zinc/25/60/22/396256022.db2.gz TXJQYTVXMLDLTI-JTQLQIEISA-N 0 1 305.342 0.120 50 0 DCAAMN CC[C@@]1(O)CCN(C(=O)c2ccccc2-c2nnc[nH]2)C[C@H]1O ZINC000077375144 396220174 /nfs/dbraw/zinc/22/01/74/396220174.db2.gz KXMWCYRSXRAEAF-CZUORRHYSA-N 0 1 316.361 0.820 50 0 DCAAMN Cc1cccnc1N1CCN(C(=O)CN2CCC[C@H](O)C2)CC1 ZINC000077379612 396220330 /nfs/dbraw/zinc/22/03/30/396220330.db2.gz MIOGIFKFFXHSIS-HNNXBMFYSA-N 0 1 318.421 0.495 50 0 DCAAMN Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C2)n[nH]1 ZINC000082092468 396310917 /nfs/dbraw/zinc/31/09/17/396310917.db2.gz AVQFBZAATUIHCV-CMPLNLGQSA-N 0 1 314.411 0.364 50 0 DCAAMN Cc1ccc(S(=O)(=O)N2CC[C@](O)(c3c[nH]nn3)C2)cc1 ZINC000285060988 396347395 /nfs/dbraw/zinc/34/73/95/396347395.db2.gz OOKYVHVCAXZJNB-CYBMUJFWSA-N 0 1 308.363 0.395 50 0 DCAAMN CC(=O)Nc1nc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cs1 ZINC000533572898 396607256 /nfs/dbraw/zinc/60/72/56/396607256.db2.gz YMEFQIYXLYFQIH-QMMMGPOBSA-N 0 1 321.366 0.634 50 0 DCAAMN CN(Cc1ccc2c(c1)CN(C)C2)C(=O)c1ccc(=O)n(C)n1 ZINC000584885252 396632021 /nfs/dbraw/zinc/63/20/21/396632021.db2.gz OEMSWFONSCWFOG-UHFFFAOYSA-N 0 1 312.373 0.998 50 0 DCAAMN COC(=O)c1cc(O)cc(C(=O)NC[C@@H]2CN(C)CCN2C)c1 ZINC000584889443 396632948 /nfs/dbraw/zinc/63/29/48/396632948.db2.gz KQEYRJNZFMEIHK-CYBMUJFWSA-N 0 1 321.377 0.154 50 0 DCAAMN O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCC(=O)NC(=O)N1 ZINC000584887543 396633295 /nfs/dbraw/zinc/63/32/95/396633295.db2.gz SGXHQMCUAYSZRQ-VIFPVBQESA-N 0 1 319.296 0.306 50 0 DCAAMN Cc1nsc(NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000578090449 397390422 /nfs/dbraw/zinc/39/04/22/397390422.db2.gz LGKXUDJOJUFQDH-ZJUUUORDSA-N 0 1 304.441 0.788 50 0 DCAAMN CCCS(=O)(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000367655020 159349290 /nfs/dbraw/zinc/34/92/90/159349290.db2.gz BLIBNTBJEDSIFE-CQSZACIVSA-N 0 1 303.472 0.686 50 0 DCAAMN C[C@H]1CNCCN1C(=O)/C=C\c1ccc(OCC(N)=O)cc1 ZINC000254993030 287122145 /nfs/dbraw/zinc/12/21/45/287122145.db2.gz ZZEWECCMIWLIEN-KMSCOEIWSA-N 0 1 303.362 0.384 50 0 DCAAMN C[C@H](N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)(C)C ZINC000027132832 415166735 /nfs/dbraw/zinc/16/67/35/415166735.db2.gz VAWAYJOZRRAJFD-VIFPVBQESA-N 0 1 310.398 0.215 50 0 DCAAMN CN1N=C(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)CCC1=O ZINC000044911279 415232379 /nfs/dbraw/zinc/23/23/79/415232379.db2.gz PRIWVUKZDBEHBM-ZDUSSCGKSA-N 0 1 322.409 0.308 50 0 DCAAMN Cn1nnc2cc(C(=O)NCCN3CCCC[C@@H]3CO)ccc21 ZINC000067789839 415386610 /nfs/dbraw/zinc/38/66/10/415386610.db2.gz CSMOBYFNSWCQKZ-CYBMUJFWSA-N 0 1 317.393 0.545 50 0 DCAAMN C[C@@H](O)[C@H](N)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082096388 415486892 /nfs/dbraw/zinc/48/68/92/415486892.db2.gz UUEHBNNNYIFSNT-MFKMUULPSA-N 0 1 318.377 0.120 50 0 DCAAMN Cc1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c(=O)[nH]1 ZINC000075118570 415438726 /nfs/dbraw/zinc/43/87/26/415438726.db2.gz IGGKDWRTNACFIJ-ZDUSSCGKSA-N 0 1 307.394 0.770 50 0 DCAAMN Cc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c(=O)[nH]1 ZINC000075119339 415439007 /nfs/dbraw/zinc/43/90/07/415439007.db2.gz KXAINZUIGLLSBS-BETUJISGSA-N 0 1 307.394 0.912 50 0 DCAAMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCN(C)C)c1C ZINC000075424197 415448342 /nfs/dbraw/zinc/44/83/42/415448342.db2.gz RXQNXULVJJISJF-UHFFFAOYSA-N 0 1 317.411 0.648 50 0 DCAAMN Nc1nc2c(c(N3Cc4cnn(CCO)c4C3)n1)CCCC2 ZINC000095388112 415558467 /nfs/dbraw/zinc/55/84/67/415558467.db2.gz OGSBOMPUFKEDFW-UHFFFAOYSA-N 0 1 300.366 0.647 50 0 DCAAMN CC[C@H]1CN(CC(=O)Nc2cc(C)nn2C)CCN1C[C@H](C)O ZINC000106868219 415651251 /nfs/dbraw/zinc/65/12/51/415651251.db2.gz IMJJBLQJFNYULN-KBPBESRZSA-N 0 1 323.441 0.444 50 0 DCAAMN C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299760354 416063989 /nfs/dbraw/zinc/06/39/89/416063989.db2.gz QLJVSZRSFNKNMM-NSHDSACASA-N 0 1 301.350 0.583 50 0 DCAAMN CNc1cc(C)nc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299758898 416064489 /nfs/dbraw/zinc/06/44/89/416064489.db2.gz LLRRFFVGMRLQEX-RYUDHWBXSA-N 0 1 301.354 0.768 50 0 DCAAMN C[C@@H](O)[C@H](N)C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000299768524 416065189 /nfs/dbraw/zinc/06/51/89/416065189.db2.gz XXIFPIVCMKBAIH-OQPBUACISA-N 0 1 310.785 0.973 50 0 DCAAMN CO[C@]12CC[N@@H+](CCn3ccnc3)[C@H]1C[C@@H](OCC(=O)[O-])CC2 ZINC000299785868 416068804 /nfs/dbraw/zinc/06/88/04/416068804.db2.gz LXVPJLXFCYSRSY-OFQRWUPVSA-N 0 1 323.393 0.996 50 0 DCAAMN CNC(=O)c1noc(CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)n1 ZINC000299791466 416069388 /nfs/dbraw/zinc/06/93/88/416069388.db2.gz FYEQNSXRYAYQQU-SSDOTTSWSA-N 0 1 318.337 0.207 50 0 DCAAMN NS(=O)(=O)C[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000299797231 416072002 /nfs/dbraw/zinc/07/20/02/416072002.db2.gz NCAUSEDOYGGTKK-SECBINFHSA-N 0 1 308.363 0.314 50 0 DCAAMN NC(=O)N1CCC[C@@H](C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000176827935 416135994 /nfs/dbraw/zinc/13/59/94/416135994.db2.gz NTLCHNIFPIFMHH-CYBMUJFWSA-N 0 1 324.425 0.100 50 0 DCAAMN Cn1cc(CC[N@@H+](C)Cc2cccc(OCC(N)=O)c2)cn1 ZINC000215054395 416327008 /nfs/dbraw/zinc/32/70/08/416327008.db2.gz STHSQHZCDAJVEO-UHFFFAOYSA-N 0 1 302.378 0.959 50 0 DCAAMN O=C(c1ccncc1Cl)N1CCC[C@@](O)(c2c[nH]nn2)C1 ZINC000583617705 416478648 /nfs/dbraw/zinc/47/86/48/416478648.db2.gz HGIMPTNVVQLVPH-ZDUSSCGKSA-N 0 1 307.741 0.977 50 0 DCAAMN c1nc2c(ncnc2N2CCN(c3cc4c(nn3)CCC4)CC2)[nH]1 ZINC000575606948 417539557 /nfs/dbraw/zinc/53/95/57/417539557.db2.gz HOYCWWDOSJVSNB-UHFFFAOYSA-N 0 1 322.376 0.958 50 0 DCAAMN CCOc1cc(C)nc(N2CCN(C(=O)c3cnc[nH]3)CC2)n1 ZINC000069564907 276369248 /nfs/dbraw/zinc/36/92/48/276369248.db2.gz NPXIDEYAMNIVML-UHFFFAOYSA-N 0 1 316.365 0.869 50 0 DCAAMN Cc1sc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1S(N)(=O)=O ZINC000153252405 279282682 /nfs/dbraw/zinc/28/26/82/279282682.db2.gz VVUUMIVLDCSKKV-HTQZYQBOSA-N 0 1 317.436 0.526 50 0 DCAAMN CN1C(=O)C[C@@H](C(=O)N2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000237062259 289819097 /nfs/dbraw/zinc/81/90/97/289819097.db2.gz XBDSJFLATDIBMO-UKRRQHHQSA-N 0 1 305.353 0.777 50 0 DCAAMN Cc1nnc(SCCCNC(=O)C[C@H]2COCCN2)s1 ZINC000072139082 293863134 /nfs/dbraw/zinc/86/31/34/293863134.db2.gz VSKVJVWHTFZKAN-JTQLQIEISA-N 0 1 316.452 0.823 50 0 DCAAMN CN(CC(=O)[O-])c1ncc(CN2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000534580929 334289233 /nfs/dbraw/zinc/28/92/33/334289233.db2.gz DIBMZSKZZKSWIC-ZDUSSCGKSA-N 0 1 305.382 0.277 50 0 DCAAMN CN1CCN(CC2(CNc3ncccc3C(N)=O)CC2)CC1 ZINC000534592729 334294737 /nfs/dbraw/zinc/29/47/37/334294737.db2.gz GOPMVRGRLNCWAH-UHFFFAOYSA-N 0 1 303.410 0.620 50 0 DCAAMN O=S(=O)([N-][C@@H]1CC[NH2+]C[C@H]1O)c1cc(F)c(F)cc1F ZINC000534635645 334309392 /nfs/dbraw/zinc/30/93/92/334309392.db2.gz ZLWUSMLMHHLUBJ-NXEZZACHSA-N 0 1 310.297 0.105 50 0 DCAAMN O=C(COCc1nc2ccc(F)cc2[nH]1)NCCn1ccnn1 ZINC000534673825 334321491 /nfs/dbraw/zinc/32/14/91/334321491.db2.gz XNKUOGOMRGFFOK-UHFFFAOYSA-N 0 1 318.312 0.627 50 0 DCAAMN CCc1nc(CN(C)[C@@H]2CCN(CCn3cncn3)C2)no1 ZINC000083830411 545698363 /nfs/dbraw/zinc/69/83/63/545698363.db2.gz IOCYYUGLVLJFPE-GFCCVEGCSA-N 0 1 305.386 0.430 50 0 DCAAMN CN1C(=O)[C@H]2CN(Cc3cnc(-c4ccccn4)nc3)C[C@H]2C1=O ZINC000215815378 545937392 /nfs/dbraw/zinc/93/73/92/545937392.db2.gz JISYMMJMISZZEA-BETUJISGSA-N 0 1 323.356 0.585 50 0 DCAAMN Cc1nc(C)n(CCCNC(=O)[C@H](C)CN2CCOCC2)n1 ZINC000244874856 660602554 /nfs/dbraw/zinc/60/25/54/660602554.db2.gz XIJSGVHIMRPWIX-GFCCVEGCSA-N 0 1 309.414 0.370 50 0 DCAAMN CCn1cc(S(=O)(=O)N[C@@H]2CN(CC)CC2(C)C)cn1 ZINC000952993510 665873461 /nfs/dbraw/zinc/87/34/61/665873461.db2.gz NWHLBJRNPXOCIM-GFCCVEGCSA-N 0 1 300.428 0.912 50 0 DCAAMN NC(=O)CN1CCC[C@H](C(=O)NCc2ccc3nonc3c2)C1 ZINC000952964079 685598150 /nfs/dbraw/zinc/59/81/50/685598150.db2.gz NAIBLXSVQXRPCD-NSHDSACASA-N 0 1 317.349 0.036 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000952964992 685598452 /nfs/dbraw/zinc/59/84/52/685598452.db2.gz DZNYUDQFPRZZRQ-OCCSQVGLSA-N 0 1 323.368 0.173 50 0 DCAAMN Cc1ncc(CN(CCO)C(=O)c2cnn3ccn(C)c23)[nH]1 ZINC001704307482 1179967865 /nfs/dbraw/zinc/96/78/65/1179967865.db2.gz HFVZDDRFLWJNGY-UHFFFAOYSA-N 0 1 302.338 0.339 50 0 DCAAMN CNc1ncc(C(=O)N2C[C@@H](Cc3cc(C)[nH]n3)[C@H](O)C2)cn1 ZINC001704345422 1179980293 /nfs/dbraw/zinc/98/02/93/1179980293.db2.gz XTGJNRJTYZTBRZ-ZWNOBZJWSA-N 0 1 316.365 0.225 50 0 DCAAMN CCCn1cnnc1CNC(=O)C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000823031349 758218952 /nfs/dbraw/zinc/21/89/52/758218952.db2.gz WDVBTHDMXAJAQG-CYBMUJFWSA-N 0 1 309.414 0.804 50 0 DCAAMN CCCn1cnnc1CNC(=O)C[C@@H]1CN(C(C)C)CCO1 ZINC000823031349 758218966 /nfs/dbraw/zinc/21/89/66/758218966.db2.gz WDVBTHDMXAJAQG-CYBMUJFWSA-N 0 1 309.414 0.804 50 0 DCAAMN C[C@H](Cc1ccccn1)N1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000200513879 761727976 /nfs/dbraw/zinc/72/79/76/761727976.db2.gz XWOPPZOCLLSYJY-CQSZACIVSA-N 0 1 313.405 0.929 50 0 DCAAMN COc1cccnc1NC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000952884299 768953408 /nfs/dbraw/zinc/95/34/08/768953408.db2.gz XHLHZKUCSLWLCT-NEPJUHHUSA-N 0 1 307.398 0.846 50 0 DCAAMN COCC[N@H+]1CC[C@H](CN(C)c2nc(C)cc(C(=O)[O-])n2)C1 ZINC001529115091 1014499475 /nfs/dbraw/zinc/49/94/75/1014499475.db2.gz YFXUOGWLFKEGPG-GFCCVEGCSA-N 0 1 308.382 0.888 50 0 DCAAMN C[C@H](O)CN1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000070036381 190851094 /nfs/dbraw/zinc/85/10/94/190851094.db2.gz NZGGYERQOISOST-XHDPSFHLSA-N 0 1 300.349 0.997 50 0 DCAAMN Cc1nnc(SCCCNC(=O)C[C@@H]2COCCN2)s1 ZINC000072139081 191047384 /nfs/dbraw/zinc/04/73/84/191047384.db2.gz VSKVJVWHTFZKAN-SNVBAGLBSA-N 0 1 316.452 0.823 50 0 DCAAMN Cc1nn(CCNC(=O)C[C@@H]2COCCN2)c(C)c1Cl ZINC000072164649 191064828 /nfs/dbraw/zinc/06/48/28/191064828.db2.gz VBEULHBJICBKEP-LLVKDONJSA-N 0 1 300.790 0.648 50 0 DCAAMN CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000072473942 191177663 /nfs/dbraw/zinc/17/76/63/191177663.db2.gz MKJQHLCEKVOLKL-AWEZNQCLSA-N 0 1 300.366 0.467 50 0 DCAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)C1(O)CCC1 ZINC000184607042 237291844 /nfs/dbraw/zinc/29/18/44/237291844.db2.gz ZKJKDESIVUATCF-UHFFFAOYSA-N 0 1 317.433 0.835 50 0 DCAAMN CNC(=O)CCCN(C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000154799024 291215555 /nfs/dbraw/zinc/21/55/55/291215555.db2.gz SHQWNYQUIFFMDU-CYBMUJFWSA-N 0 1 307.398 0.374 50 0 DCAAMN CCc1nc(N)nc(N(C)Cc2nncn2CCOC)c1C ZINC000091440964 193056459 /nfs/dbraw/zinc/05/64/59/193056459.db2.gz ZRFAYBWZLYGNTK-UHFFFAOYSA-N 0 1 305.386 0.804 50 0 DCAAMN CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1ncccn1)CC2 ZINC000091663150 193087346 /nfs/dbraw/zinc/08/73/46/193087346.db2.gz NSLIIGLWMMZWIY-CYBMUJFWSA-N 0 1 318.377 0.764 50 0 DCAAMN Cc1ccc(C(=O)N[C@H](C)c2nn[nH]n2)cc1N1CCNC1=O ZINC000091665087 193088505 /nfs/dbraw/zinc/08/85/05/193088505.db2.gz ICRDFNFZXALDMR-SECBINFHSA-N 0 1 315.337 0.529 50 0 DCAAMN O=C([C@H]1CCC(=O)c2cccn21)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000328859667 296099669 /nfs/dbraw/zinc/09/96/69/296099669.db2.gz ADYGCBSYZIOROD-VXGBXAGGSA-N 0 1 315.333 0.724 50 0 DCAAMN O=C([O-])[C@@H]1CN(C(=O)c2cn[nH]c2)CC[N@H+](C2CCOCC2)C1 ZINC000097657314 304132330 /nfs/dbraw/zinc/13/23/30/304132330.db2.gz YWWXWNSRCSQONQ-LBPRGKRZSA-N 0 1 322.365 0.047 50 0 DCAAMN Cc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)c(=O)[nH]1 ZINC000219349941 201555489 /nfs/dbraw/zinc/55/54/89/201555489.db2.gz WVOACVAWEFCYCC-UHFFFAOYSA-N 0 1 305.378 0.620 50 0 DCAAMN CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 ZINC000020029117 182181519 /nfs/dbraw/zinc/18/15/19/182181519.db2.gz SAXWSIBQQXTUIL-OAHLLOKOSA-N 0 1 307.394 0.632 50 0 DCAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccncc1 ZINC000020761296 182246552 /nfs/dbraw/zinc/24/65/52/182246552.db2.gz PTVZDPDEDIJGIH-AWEZNQCLSA-N 0 1 315.333 0.635 50 0 biogenic DCAAMN NC(=O)[C@@H]1CCCCN1CCCc1nnnn1-c1ccccc1 ZINC000058131233 184078785 /nfs/dbraw/zinc/07/87/85/184078785.db2.gz CBMBEUBOLYICQT-AWEZNQCLSA-N 0 1 314.393 0.935 50 0 DCAAMN C[C@@H]1CN(C(=O)Cc2csc(-c3nc[nH]n3)n2)C[C@@H](C)N1 ZINC000153954463 257240170 /nfs/dbraw/zinc/24/01/70/257240170.db2.gz XVRJZFLAYRBVKH-RKDXNWHRSA-N 0 1 306.395 0.680 50 0 DCAAMN CCCc1cc(CN(C)C(=O)CN2C(=O)CN(C)C2=O)n[nH]1 ZINC000426571845 257246078 /nfs/dbraw/zinc/24/60/78/257246078.db2.gz VWKAGRFAQRSNKN-UHFFFAOYSA-N 0 1 307.354 0.215 50 0 DCAAMN COc1ccc(-n2c(CN)nnc2SC[C@@H](O)CO)cc1 ZINC000426580994 257246352 /nfs/dbraw/zinc/24/63/52/257246352.db2.gz LXOYJPFFLAORHL-JTQLQIEISA-N 0 1 310.379 0.180 50 0 DCAAMN CO[C@]12CCN(CC(N)=O)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426512038 257247392 /nfs/dbraw/zinc/24/73/92/257247392.db2.gz GCNMZOLLHYMRJJ-DVOMOZLQSA-N 0 1 305.378 0.958 50 0 DCAAMN O=C(NCCc1cnc[nH]1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000426517985 257248007 /nfs/dbraw/zinc/24/80/07/257248007.db2.gz UKGMPAMVOMKLKT-ZDUSSCGKSA-N 0 1 308.382 0.668 50 0 DCAAMN CN(C)CC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012299226 395687529 /nfs/dbraw/zinc/68/75/29/395687529.db2.gz XXHYJQXXLWZDFJ-CQSZACIVSA-N 0 1 307.369 0.647 50 0 DCAAMN CC(=O)Nc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)cc1 ZINC000013721599 395688965 /nfs/dbraw/zinc/68/89/65/395688965.db2.gz SUGKGNFTALIJMH-NSHDSACASA-N 0 1 314.305 0.759 50 0 DCAAMN Cc1ccc(Cn2c3c([nH]c2=NN)n(C)c(=O)n(C)c3=O)cc1 ZINC000000351092 395680252 /nfs/dbraw/zinc/68/02/52/395680252.db2.gz GKGOCHBHLFDFTR-UHFFFAOYSA-N 0 1 314.349 0.076 50 0 DCAAMN CCc1nc([C@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n[nH]1 ZINC000089289845 395709896 /nfs/dbraw/zinc/70/98/96/395709896.db2.gz HXNTWXYHPBGDBS-GFCCVEGCSA-N 0 1 303.366 0.639 50 0 DCAAMN Cc1nn(C)c(C)c1CC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000089505727 395712593 /nfs/dbraw/zinc/71/25/93/395712593.db2.gz IEKSBWHLPOVXPY-JKSUJKDBSA-N 0 1 320.437 0.637 50 0 DCAAMN C[C@H]1CN(C[C@H](O)Cn2cccn2)CCN1c1nccs1 ZINC000089939424 395717065 /nfs/dbraw/zinc/71/70/65/395717065.db2.gz RYNPKSKGADQNJQ-STQMWFEESA-N 0 1 307.423 0.911 50 0 DCAAMN CC[C@H](CO)NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000089943596 395717754 /nfs/dbraw/zinc/71/77/54/395717754.db2.gz UPBNGEYCRWBXKP-CQSZACIVSA-N 0 1 321.425 0.404 50 0 DCAAMN COc1ccccc1CNCCS(=O)(=O)N1CCOCC1 ZINC000096404227 395752943 /nfs/dbraw/zinc/75/29/43/395752943.db2.gz VHASSLJSSXNWED-UHFFFAOYSA-N 0 1 314.407 0.447 50 0 DCAAMN NC(=O)c1ccnc(N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000096429484 395753507 /nfs/dbraw/zinc/75/35/07/395753507.db2.gz ISTRPHWXJJVNMW-ZDUSSCGKSA-N 0 1 304.394 0.729 50 0 DCAAMN C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000107058937 395784783 /nfs/dbraw/zinc/78/47/83/395784783.db2.gz SYWQYRYUWNNCBH-QMTHXVAHSA-N 0 1 323.418 0.800 50 0 DCAAMN CC(=O)N1CCN([C@H]2CN(Cc3cc(C)no3)C[C@H]2C)CC1 ZINC000107354840 395785664 /nfs/dbraw/zinc/78/56/64/395785664.db2.gz JPUCDDWRABFHSB-WBMJQRKESA-N 0 1 306.410 0.967 50 0 DCAAMN OCCc1cn(C2CCN(c3ncnc4[nH]cnc43)CC2)nn1 ZINC000048155867 395809408 /nfs/dbraw/zinc/80/94/08/395809408.db2.gz PMOLJWWGWFITDF-UHFFFAOYSA-N 0 1 314.353 0.321 50 0 DCAAMN COc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)c(F)c1F ZINC000219347639 395845340 /nfs/dbraw/zinc/84/53/40/395845340.db2.gz IXVBVGHOMPLDJE-JTQLQIEISA-N 0 1 313.348 0.949 50 0 DCAAMN O=C(CN1CCC[C@@H](O)C1)N1CCN(Cc2ccsc2)CC1 ZINC000051204657 395848498 /nfs/dbraw/zinc/84/84/98/395848498.db2.gz LTILSCVNBUPWRO-OAHLLOKOSA-N 0 1 323.462 0.849 50 0 DCAAMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cc[nH]c3)CC2)C1 ZINC000109284616 395797388 /nfs/dbraw/zinc/79/73/88/395797388.db2.gz VXOCZCVOZJMPDT-INIZCTEOSA-N 0 1 320.437 0.882 50 0 DCAAMN COc1cncc([C@H](NC(=O)Cc2cnc[nH]2)[C@H]2C[C@@H](O)C2)c1 ZINC000244858556 395925684 /nfs/dbraw/zinc/92/56/84/395925684.db2.gz VNHLVZRTFFSRSO-AKWBHNSASA-N 0 1 316.361 0.984 50 0 DCAAMN Nc1nc(NCCN2CCCOC2=O)cc([C@H]2C[C@@H](O)C2)n1 ZINC000244882685 395926355 /nfs/dbraw/zinc/92/63/55/395926355.db2.gz XWOFUDAWKREHEC-AOOOYVTPSA-N 0 1 307.354 0.551 50 0 DCAAMN O=C(NCCc1nnn[n-]1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000244899837 395926498 /nfs/dbraw/zinc/92/64/98/395926498.db2.gz ZRGXZTLEXYTUDW-CQSZACIVSA-N 0 1 314.393 0.913 50 0 DCAAMN O=C(NCCc1nn[n-]n1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244899837 395926502 /nfs/dbraw/zinc/92/65/02/395926502.db2.gz ZRGXZTLEXYTUDW-CQSZACIVSA-N 0 1 314.393 0.913 50 0 DCAAMN O=C(NCCc1nn[n-]n1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000244899837 395926504 /nfs/dbraw/zinc/92/65/04/395926504.db2.gz ZRGXZTLEXYTUDW-CQSZACIVSA-N 0 1 314.393 0.913 50 0 DCAAMN CC(C)c1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)n[nH]1 ZINC000052823213 395870115 /nfs/dbraw/zinc/87/01/15/395870115.db2.gz QCYFLTSTNIGZRN-SNVBAGLBSA-N 0 1 314.411 0.687 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N1CCO[C@@H](C)C1 ZINC000229560334 395875397 /nfs/dbraw/zinc/87/53/97/395875397.db2.gz HURKSGFQDCUOKR-CWRNSKLLSA-N 0 1 323.437 0.709 50 0 DCAAMN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000246837230 395958639 /nfs/dbraw/zinc/95/86/39/395958639.db2.gz CXARFAHOHLXJRA-YPMHNXCESA-N 0 1 323.418 0.643 50 0 DCAAMN C[C@H](NC(=O)CN1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1)C1CC1 ZINC000257366180 396046622 /nfs/dbraw/zinc/04/66/22/396046622.db2.gz MISFJFNXPIYAGY-IETSOEAISA-N 0 1 322.409 0.211 50 0 DCAAMN Cc1c(C(=O)[O-])nnn1-c1cccc2c1CC[N@@H+](CCO)C2 ZINC000068592583 396059767 /nfs/dbraw/zinc/05/97/67/396059767.db2.gz FJZURHKYZIGHGP-UHFFFAOYSA-N 0 1 302.334 0.624 50 0 DCAAMN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000070009335 396097453 /nfs/dbraw/zinc/09/74/53/396097453.db2.gz WNFOXZFGTKIXAK-STQMWFEESA-N 0 1 324.425 0.684 50 0 DCAAMN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2Cn2cccn2)C[C@@H](C)O1 ZINC000071875541 396120558 /nfs/dbraw/zinc/12/05/58/396120558.db2.gz ZQUQDFXKUSWTAW-RBSFLKMASA-N 0 1 306.410 0.983 50 0 DCAAMN CCn1ccnc1CN1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000069418151 396077857 /nfs/dbraw/zinc/07/78/57/396077857.db2.gz HQCIXKJPPRABTL-HNNXBMFYSA-N 0 1 318.425 0.278 50 0 DCAAMN CCc1nnsc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000076045316 396192637 /nfs/dbraw/zinc/19/26/37/396192637.db2.gz TYXYOICYGGYUGL-VIFPVBQESA-N 0 1 308.367 0.741 50 0 DCAAMN CCn1nc2c(cc1=O)CN(CCCN1CCCC1=O)CC2 ZINC000076064473 396195991 /nfs/dbraw/zinc/19/59/91/396195991.db2.gz RCRXOPIAJIMVAT-UHFFFAOYSA-N 0 1 304.394 0.634 50 0 DCAAMN Cn1cc(CCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788832 396254324 /nfs/dbraw/zinc/25/43/24/396254324.db2.gz XYNWXBFIHHGDJA-GJZGRUSLSA-N 0 1 306.410 0.410 50 0 DCAAMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)Cn2nc(C)cc2C)C1 ZINC000285870065 396359424 /nfs/dbraw/zinc/35/94/24/396359424.db2.gz RISWDEUGIHVQDA-NEPJUHHUSA-N 0 1 304.354 0.607 50 0 DCAAMN NC(=O)c1noc(CNC2CCN(Cc3ccco3)CC2)n1 ZINC000584889589 396632889 /nfs/dbraw/zinc/63/28/89/396632889.db2.gz UBRAIAACSGEXBE-UHFFFAOYSA-N 0 1 305.338 0.516 50 0 DCAAMN COc1cccc2ncn(C[C@H]3COCCN(C)C3)c(=O)c21 ZINC000584903493 396637010 /nfs/dbraw/zinc/63/70/10/396637010.db2.gz PLAXBDRZQBSKOO-LBPRGKRZSA-N 0 1 303.362 0.983 50 0 DCAAMN Cc1nc(CN2CCN(c3ccnc4c3cnn4C)CC2)n[nH]1 ZINC000329216842 159074253 /nfs/dbraw/zinc/07/42/53/159074253.db2.gz PDQRLNILGJJOFB-UHFFFAOYSA-N 0 1 312.381 0.717 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)n[nH]1 ZINC000332323843 415343973 /nfs/dbraw/zinc/34/39/73/415343973.db2.gz LTBDCMNDABNSHS-NSHDSACASA-N 0 1 317.349 0.578 50 0 DCAAMN Cc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c(=O)[nH]1 ZINC000075119341 415438306 /nfs/dbraw/zinc/43/83/06/415438306.db2.gz KXAINZUIGLLSBS-CHWSQXEVSA-N 0 1 307.394 0.912 50 0 DCAAMN CCCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000095349104 415547502 /nfs/dbraw/zinc/54/75/02/415547502.db2.gz FGLGUUATXKMAQA-UHFFFAOYSA-N 0 1 317.411 0.602 50 0 DCAAMN Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000095363750 415552406 /nfs/dbraw/zinc/55/24/06/415552406.db2.gz REVROGVBQJEZRY-NSHDSACASA-N 0 1 304.354 0.324 50 0 DCAAMN Cc1cccnc1[C@H](NCC(=O)N1CCNC(=O)C1)C(C)C ZINC000096424399 415574519 /nfs/dbraw/zinc/57/45/19/415574519.db2.gz WUWGMVRAEVIIKT-OAHLLOKOSA-N 0 1 304.394 0.635 50 0 DCAAMN Cc1cc(NC(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000106868086 415650611 /nfs/dbraw/zinc/65/06/11/415650611.db2.gz CRUPMFZLSFREGK-STQMWFEESA-N 0 1 309.414 0.054 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C)c2nncn2C)C1 ZINC000107574753 415668567 /nfs/dbraw/zinc/66/85/67/415668567.db2.gz HTUXAQYNYFABCB-OLZOCXBDSA-N 0 1 324.429 0.532 50 0 DCAAMN Cc1ccccc1[C@H]1CN(C(=O)CNC(=O)CN)[C@@H](C)CO1 ZINC000124968732 415856621 /nfs/dbraw/zinc/85/66/21/415856621.db2.gz DRNYFKCQXZERCU-GXTWGEPZSA-N 0 1 305.378 0.358 50 0 DCAAMN Cc1n[nH]c(C)c1C[N@H+]1C[C@H](CC(=O)[O-])[C@H](c2c[nH]nn2)C1 ZINC000299763804 416065203 /nfs/dbraw/zinc/06/52/03/416065203.db2.gz DHWIRGLZIAVVEI-CMPLNLGQSA-N 0 1 304.354 0.835 50 0 DCAAMN Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299763804 416065204 /nfs/dbraw/zinc/06/52/04/416065204.db2.gz DHWIRGLZIAVVEI-CMPLNLGQSA-N 0 1 304.354 0.835 50 0 DCAAMN Cc1n[nH]c(C)c1C[N@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299763804 416065207 /nfs/dbraw/zinc/06/52/07/416065207.db2.gz DHWIRGLZIAVVEI-CMPLNLGQSA-N 0 1 304.354 0.835 50 0 DCAAMN Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](CC(=O)[O-])[C@H](c2cnn[nH]2)C1 ZINC000299763804 416065208 /nfs/dbraw/zinc/06/52/08/416065208.db2.gz DHWIRGLZIAVVEI-CMPLNLGQSA-N 0 1 304.354 0.835 50 0 DCAAMN Cc1n[nH]c(C)c1C[N@H+]1C[C@H](CC(=O)[O-])[C@H](c2cnn[nH]2)C1 ZINC000299763804 416065209 /nfs/dbraw/zinc/06/52/09/416065209.db2.gz DHWIRGLZIAVVEI-CMPLNLGQSA-N 0 1 304.354 0.835 50 0 DCAAMN COc1ccccc1OCCCN(C)C(=O)[C@H]1CNCCO1 ZINC000216120241 416327517 /nfs/dbraw/zinc/32/75/17/416327517.db2.gz FDNFYHQUCIZOEN-OAHLLOKOSA-N 0 1 308.378 0.911 50 0 DCAAMN COCCc1noc([C@H]2CCCN(CCn3cc[nH]c3=O)C2)n1 ZINC000244735058 416331012 /nfs/dbraw/zinc/33/10/12/416331012.db2.gz NSLDXTHCOGDLNQ-LBPRGKRZSA-N 0 1 321.381 0.628 50 0 DCAAMN Cc1nc(N(C)C)nc(N[C@H]2COC[C@@H]2N2CCOCC2)c1C ZINC000534590783 416507758 /nfs/dbraw/zinc/50/77/58/416507758.db2.gz VEJKYNCWAGDBEK-KBPBESRZSA-N 0 1 321.425 0.671 50 0 DCAAMN COCCOc1cccc(C(=O)NCc2n[nH]c(=O)n2C)c1 ZINC000585129865 416520282 /nfs/dbraw/zinc/52/02/82/416520282.db2.gz AAHXUVJDCBFAQC-UHFFFAOYSA-N 0 1 306.322 0.476 50 0 DCAAMN c1nnc(CN2CCN(c3nnnn3-c3ccccc3)CC2)[nH]1 ZINC000651457334 418380837 /nfs/dbraw/zinc/38/08/37/418380837.db2.gz YLYOQHVWIHFTLC-UHFFFAOYSA-N 0 1 311.353 0.103 50 0 DCAAMN C[C@@H]1CN(C(=O)c2cn(Cc3ccccn3)nn2)C[C@H](C)N1 ZINC000299738993 229372340 /nfs/dbraw/zinc/37/23/40/229372340.db2.gz JILVLAXRUWFQJQ-TXEJJXNPSA-N 0 1 300.366 0.544 50 0 DCAAMN COCCOc1cccc(C(=O)NC(C)(C)c2nn[nH]n2)c1 ZINC000359792421 271143326 /nfs/dbraw/zinc/14/33/26/271143326.db2.gz RVQSGYDNAUCLDY-UHFFFAOYSA-N 0 1 305.338 0.890 50 0 DCAAMN C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC(N)=O)cc2)CCN1 ZINC000493484234 272192161 /nfs/dbraw/zinc/19/21/61/272192161.db2.gz LBGYLQAYXFRNPW-DJFZKKHWSA-N 0 1 303.362 0.384 50 0 DCAAMN CCOc1ccnc(N2CCN(C(=O)c3cnc[nH]3)CC2)n1 ZINC000069538695 276384427 /nfs/dbraw/zinc/38/44/27/276384427.db2.gz KTXVSUSHBMWTRW-UHFFFAOYSA-N 0 1 302.338 0.561 50 0 DCAAMN COC(=O)c1cc(O)cc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)c1 ZINC000534662142 334322236 /nfs/dbraw/zinc/32/22/36/334322236.db2.gz CATLRPGGJWESJG-STQMWFEESA-N 0 1 308.334 0.238 50 0 DCAAMN Cc1ccc2nc(COCC(=O)NC[C@H]3COCCO3)[nH]c2c1 ZINC000299761613 534505531 /nfs/dbraw/zinc/50/55/31/534505531.db2.gz LULPJQZGLYMPDI-LBPRGKRZSA-N 0 1 319.361 0.920 50 0 DCAAMN Cn1c2c(nc1C1CC1)CN(CCC(=O)N1CCOCC1)CC2 ZINC000084310847 545700045 /nfs/dbraw/zinc/70/00/45/545700045.db2.gz NHIPAAFFLAISNJ-UHFFFAOYSA-N 0 1 318.421 0.905 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000084630926 545702548 /nfs/dbraw/zinc/70/25/48/545702548.db2.gz YSFPGBQRVKAEPS-LLVKDONJSA-N 0 1 318.385 0.823 50 0 DCAAMN CC(C)c1nc([C@H]2CN(Cc3nnnn3C3CC3)CCO2)n[nH]1 ZINC000084630926 545702553 /nfs/dbraw/zinc/70/25/53/545702553.db2.gz 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/nfs/dbraw/zinc/27/86/53/669278653.db2.gz ZSXCHRFLCYBBAP-ZDUSSCGKSA-N 0 1 311.426 0.520 50 0 DCAAMN CS(=O)(=O)CCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000726798576 685320702 /nfs/dbraw/zinc/32/07/02/685320702.db2.gz DNBDYQKJQYEGAY-UHFFFAOYSA-N 0 1 308.363 0.523 50 0 DCAAMN CS(=O)(=O)CCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000726798576 685320711 /nfs/dbraw/zinc/32/07/11/685320711.db2.gz DNBDYQKJQYEGAY-UHFFFAOYSA-N 0 1 308.363 0.523 50 0 DCAAMN CCc1csc(CNC(=O)[C@H]2CCCN(CC(N)=O)C2)n1 ZINC000952974314 685600316 /nfs/dbraw/zinc/60/03/16/685600316.db2.gz ALNDBCUNHKTXNM-JTQLQIEISA-N 0 1 310.423 0.519 50 0 DCAAMN Cc1nn(C)cc1NC(=O)C[N@H+]1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001772701271 1157841065 /nfs/dbraw/zinc/84/10/65/1157841065.db2.gz LDDWMIDQCYVMMU-ABAIWWIYSA-N 0 1 322.365 0.090 50 0 DCAAMN CCc1cc(CN2C[C@@H]3COC[C@H](C2)[N@@H+](CC(=O)[O-])C3)on1 ZINC001704313071 1179969890 /nfs/dbraw/zinc/96/98/90/1179969890.db2.gz MKZJWASKEMUBQL-AAEUAGOBSA-N 0 1 309.366 0.454 50 0 DCAAMN 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/nfs/dbraw/zinc/34/27/81/202342781.db2.gz KGUGOUJIFQSUAB-LBPRGKRZSA-N 0 1 317.393 0.784 50 0 DCAAMN CNC(=O)CCCN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000154799129 291215613 /nfs/dbraw/zinc/21/56/13/291215613.db2.gz SHQWNYQUIFFMDU-ZDUSSCGKSA-N 0 1 307.398 0.374 50 0 DCAAMN Cc1nc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)n(C)n1 ZINC000091461054 193059695 /nfs/dbraw/zinc/05/96/95/193059695.db2.gz VVQMDSKZRXFVFS-VXGBXAGGSA-N 0 1 301.350 0.819 50 0 DCAAMN Cc1nc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)n(C)n1 ZINC000091461054 193059697 /nfs/dbraw/zinc/05/96/97/193059697.db2.gz VVQMDSKZRXFVFS-VXGBXAGGSA-N 0 1 301.350 0.819 50 0 DCAAMN CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1nc(C)no1)CC2 ZINC000091493689 193063784 /nfs/dbraw/zinc/06/37/84/193063784.db2.gz AQXUYLWHXUVNMI-GFCCVEGCSA-N 0 1 322.365 0.666 50 0 DCAAMN Cc1cc(C)nc(CN(C)C(=O)CN2CCC(C(N)=O)CC2)c1 ZINC000091626155 193081389 /nfs/dbraw/zinc/08/13/89/193081389.db2.gz IVMURAVJQYCWKD-UHFFFAOYSA-N 0 1 318.421 0.854 50 0 DCAAMN 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/nfs/dbraw/zinc/71/00/20/395710020.db2.gz FXKMUOHBPVYRCZ-JTQLQIEISA-N 0 1 302.400 0.175 50 0 DCAAMN CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3csnn3)CCO2)n1 ZINC000089893540 395716010 /nfs/dbraw/zinc/71/60/10/395716010.db2.gz GGBJUYUKRJAZTK-VIFPVBQESA-N 0 1 308.367 0.993 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(C(=O)c3csnn3)CCO2)n[nH]1 ZINC000089893540 395716012 /nfs/dbraw/zinc/71/60/12/395716012.db2.gz GGBJUYUKRJAZTK-VIFPVBQESA-N 0 1 308.367 0.993 50 0 DCAAMN CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1 ZINC000035421786 395720732 /nfs/dbraw/zinc/72/07/32/395720732.db2.gz PIEYDBHLEHQFIP-UHFFFAOYSA-N 0 1 319.405 0.979 50 0 DCAAMN CS(=O)(=O)CC[C@H](N)C(=O)Nc1cnc2ccccc2c1 ZINC000037020280 395725559 /nfs/dbraw/zinc/72/55/59/395725559.db2.gz TXYAXMKAQVCMKY-LBPRGKRZSA-N 0 1 307.375 0.935 50 0 DCAAMN CCc1nc([C@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCO2)n[nH]1 ZINC000095402434 395740306 /nfs/dbraw/zinc/74/03/06/395740306.db2.gz XBSPJVDFWVMMQH-NWDGAFQWSA-N 0 1 323.397 0.036 50 0 DCAAMN CCN1C(=O)N[C@@](C)([C@@H]2CCCN(CC(=O)NC3CC3)C2)C1=O ZINC000095402595 395740353 /nfs/dbraw/zinc/74/03/53/395740353.db2.gz JYWZEECPYZPRSG-BZNIZROVSA-N 0 1 322.409 0.307 50 0 DCAAMN O=C([O-])[C@]12CN(C(=O)C3CC3)C[C@H]1C[N@H+](Cc1cscn1)C2 ZINC000096137150 395745694 /nfs/dbraw/zinc/74/56/94/395745694.db2.gz GEAGFRTXGSECJO-IAQYHMDHSA-N 0 1 321.402 0.898 50 0 DCAAMN O=C([O-])[C@]12CN(C(=O)C3CC3)C[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC000096137150 395745695 /nfs/dbraw/zinc/74/56/95/395745695.db2.gz GEAGFRTXGSECJO-IAQYHMDHSA-N 0 1 321.402 0.898 50 0 DCAAMN C[C@@]1(O)CCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C[C@@H]1O ZINC000096150361 395745963 /nfs/dbraw/zinc/74/59/63/395745963.db2.gz IVNTVEOZJLGLBE-XJKSGUPXSA-N 0 1 321.352 0.979 50 0 DCAAMN CNS(=O)(=O)Cc1ccccc1CNCc1cnn(C)c1 ZINC000097197969 395755680 /nfs/dbraw/zinc/75/56/80/395755680.db2.gz BRCJSEQKYARZCL-UHFFFAOYSA-N 0 1 308.407 0.759 50 0 DCAAMN COCc1cccc(C(=O)N2CCN(C(C)C)C[C@H](O)C2)n1 ZINC000097514391 395758637 /nfs/dbraw/zinc/75/86/37/395758637.db2.gz 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/nfs/dbraw/zinc/85/52/62/395855262.db2.gz RGXLETSAOGBVFR-ZIAGYGMSSA-N 0 1 319.361 0.654 50 0 DCAAMN CN1CCN(c2ccc(C(=O)NCCn3cncn3)cc2)CC1 ZINC000223672276 395855770 /nfs/dbraw/zinc/85/57/70/395855770.db2.gz ZVXZMCMLFXLFMY-UHFFFAOYSA-N 0 1 314.393 0.460 50 0 DCAAMN Nc1ncc(Cl)cc1S(=O)(=O)N1CCN2CCC[C@H]2C1 ZINC000246496389 395951614 /nfs/dbraw/zinc/95/16/14/395951614.db2.gz AZJAKNAIVYZLPC-JTQLQIEISA-N 0 1 316.814 0.786 50 0 DCAAMN O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)c1ccc([O-])cn1 ZINC000252527467 396022614 /nfs/dbraw/zinc/02/26/14/396022614.db2.gz CPVHIHLMXPMGMB-UXIGCNINSA-N 0 1 305.378 0.656 50 0 DCAAMN Cc1ccc(CN(C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1 ZINC000252495578 396021488 /nfs/dbraw/zinc/02/14/88/396021488.db2.gz OTVPZCOHZVYYAI-GJZGRUSLSA-N 0 1 319.405 0.700 50 0 DCAAMN CC(C)(O)CN1CCN(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000069777812 396090276 /nfs/dbraw/zinc/09/02/76/396090276.db2.gz IBUXTQDMPGEZAX-UHFFFAOYSA-N 0 1 322.434 0.853 50 0 DCAAMN 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CKVKLNVMZDNPPO-JQWIXIFHSA-N 0 1 314.407 0.846 50 0 DCAAMN Cc1ccc(S(=O)(=O)N2CC[C@@](O)(c3c[nH]nn3)C2)cc1 ZINC000285060995 396347434 /nfs/dbraw/zinc/34/74/34/396347434.db2.gz OOKYVHVCAXZJNB-ZDUSSCGKSA-N 0 1 308.363 0.395 50 0 DCAAMN CCc1noc(CCNC(=O)C[C@@H]2CN(C(C)C)CCO2)n1 ZINC000584885470 396632380 /nfs/dbraw/zinc/63/23/80/396632380.db2.gz SFGABHYDXQVTKH-GFCCVEGCSA-N 0 1 310.398 0.790 50 0 DCAAMN COc1ccc2nc(CNC(=O)CCn3cncn3)[nH]c2c1 ZINC000584890341 396634245 /nfs/dbraw/zinc/63/42/45/396634245.db2.gz NDVDMACWVSXKED-UHFFFAOYSA-N 0 1 300.322 0.870 50 0 DCAAMN O=C(NCCCc1nn[nH]n1)c1cccc(N2CCNC2=O)c1 ZINC000584897563 396635877 /nfs/dbraw/zinc/63/58/77/396635877.db2.gz QGEAPINAWGANHI-UHFFFAOYSA-N 0 1 315.337 0.092 50 0 DCAAMN CO[C@]12CC[N@@H+](Cc3cnn(CCC(=O)[O-])c3)[C@H]1C[C@@H](O)CC2 ZINC000299755089 286174634 /nfs/dbraw/zinc/17/46/34/286174634.db2.gz BGSAGTDGUKNWIT-OFQRWUPVSA-N 0 1 323.393 0.862 50 0 DCAAMN C[C@@H](CNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1C ZINC000044945968 415235666 /nfs/dbraw/zinc/23/56/66/415235666.db2.gz YGBVPAKDEUUOHY-FRRDWIJNSA-N 0 1 317.455 0.736 50 0 DCAAMN CNC(=O)CN(C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000044975300 415237532 /nfs/dbraw/zinc/23/75/32/415237532.db2.gz NASBLJAAECZVIL-CYBMUJFWSA-N 0 1 304.394 0.692 50 0 DCAAMN C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000269082876 415249716 /nfs/dbraw/zinc/24/97/16/415249716.db2.gz JCHGALKJURPZNK-JSGCOSHPSA-N 0 1 306.362 0.819 50 0 DCAAMN C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000269082876 415249725 /nfs/dbraw/zinc/24/97/25/415249725.db2.gz JCHGALKJURPZNK-JSGCOSHPSA-N 0 1 306.362 0.819 50 0 DCAAMN CN1CC[C@@](O)(CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000332132196 415262034 /nfs/dbraw/zinc/26/20/34/415262034.db2.gz JVBMQRFEQWDQEO-MRXNPFEDSA-N 0 1 324.446 0.910 50 0 DCAAMN CCOCCN1CCN(c2ncnc3c2cnn3C)C[C@@H]1C ZINC000069951397 415404537 /nfs/dbraw/zinc/40/45/37/415404537.db2.gz AEXNMVBHCREYDE-LBPRGKRZSA-N 0 1 304.398 0.910 50 0 DCAAMN COc1ccc(S(=O)(=O)Nc2cnn(CCO)c2)c(C)c1 ZINC000067659887 415378124 /nfs/dbraw/zinc/37/81/24/415378124.db2.gz ICFYGPOHQBOFJN-UHFFFAOYSA-N 0 1 311.363 0.993 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)Cc3ccc(C)nc3)CCO2)n[nH]1 ZINC000084191216 415492116 /nfs/dbraw/zinc/49/21/16/415492116.db2.gz ZBWOAQPMXBUREN-ZDUSSCGKSA-N 0 1 301.350 0.959 50 0 DCAAMN C[C@@H](C(=O)N1CCCC1)N1CCC(N2CCN(C)C2=O)CC1 ZINC000075132943 415438640 /nfs/dbraw/zinc/43/86/40/415438640.db2.gz JJUMLBRWFDRNDU-ZDUSSCGKSA-N 0 1 308.426 0.829 50 0 DCAAMN O=C(CC1Cc2ccccc2C1)N1CCN(CCO)C[C@@H](O)C1 ZINC000097117565 415585415 /nfs/dbraw/zinc/58/54/15/415585415.db2.gz XQDGZLFPHQOTKA-QGZVFWFLSA-N 0 1 318.417 0.289 50 0 DCAAMN CC(=O)N1CCCN([C@H]2CN(Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000107354905 415669433 /nfs/dbraw/zinc/66/94/33/415669433.db2.gz VWIVQZBCUUJMHO-DOMZBBRYSA-N 0 1 321.425 0.753 50 0 DCAAMN Cc1ccccc1[C@@H](CC(=O)N1CCNC[C@H]1C)NC(N)=O ZINC000125335443 415864397 /nfs/dbraw/zinc/86/43/97/415864397.db2.gz GYOKDGACAWQNIW-TZMCWYRMSA-N 0 1 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/nfs/dbraw/zinc/04/01/14/191040114.db2.gz SSKDVIZUTRBJTD-OLZOCXBDSA-N 0 1 302.334 0.287 50 0 DCAAMN CCCCc1ncc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)[nH]1 ZINC000072432427 191164965 /nfs/dbraw/zinc/16/49/65/191164965.db2.gz OIBCKVWPNWRXSM-XHDPSFHLSA-N 0 1 306.366 0.385 50 0 DCAAMN CCCCc1nc(C[N@@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c[nH]1 ZINC000072432427 191164967 /nfs/dbraw/zinc/16/49/67/191164967.db2.gz OIBCKVWPNWRXSM-XHDPSFHLSA-N 0 1 306.366 0.385 50 0 DCAAMN CCCCc1nc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c[nH]1 ZINC000072432427 191164968 /nfs/dbraw/zinc/16/49/68/191164968.db2.gz OIBCKVWPNWRXSM-XHDPSFHLSA-N 0 1 306.366 0.385 50 0 DCAAMN CCNC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cnc[nH]2)C1 ZINC000072478452 191180195 /nfs/dbraw/zinc/18/01/95/191180195.db2.gz UVXCHGDTZSBUHE-GXTWGEPZSA-N 0 1 319.409 0.995 50 0 DCAAMN C[C@H](c1ccncc1)N(C)C(=O)CN1CCC(C(N)=O)CC1 ZINC000091425929 193054326 /nfs/dbraw/zinc/05/43/26/193054326.db2.gz SSYSPNLUJZELNH-GFCCVEGCSA-N 0 1 304.394 0.798 50 0 DCAAMN C[C@@H]1CN(C[C@@H]2CN(c3nccc(N)n3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091587371 193076851 /nfs/dbraw/zinc/07/68/51/193076851.db2.gz WBERRIPUDMIDRF-XJFOESAGSA-N 0 1 321.425 0.213 50 0 DCAAMN Cc1nccnc1N1C[C@H](CO)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091876885 193121606 /nfs/dbraw/zinc/12/16/06/193121606.db2.gz ZKJAHTJEOMIAPL-OCVGTWLNSA-N 0 1 320.437 0.939 50 0 DCAAMN CN(CC(=O)[O-])c1ncc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)cn1 ZINC000091965389 193133819 /nfs/dbraw/zinc/13/38/19/193133819.db2.gz GIEWCBBGJWBJMQ-INIZCTEOSA-N 0 1 322.409 0.980 50 0 DCAAMN CN1CCN(CCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000022934995 182342823 /nfs/dbraw/zinc/34/28/23/182342823.db2.gz HRPCAQNYCACXFU-UHFFFAOYSA-N 0 1 311.451 0.744 50 0 DCAAMN Cc1csc(N2CCN(C[C@H](O)Cn3cccn3)CC2)n1 ZINC000044975418 183471207 /nfs/dbraw/zinc/47/12/07/183471207.db2.gz FUGMZGSKNYLOJU-ZDUSSCGKSA-N 0 1 307.423 0.831 50 0 DCAAMN Cc1cc(C)n(CCNC(=O)c2[nH]nc3c2CCC3)c(=O)n1 ZINC000067695035 184480633 /nfs/dbraw/zinc/48/06/33/184480633.db2.gz HVAAPPGBPQFQQS-UHFFFAOYSA-N 0 1 301.350 0.502 50 0 DCAAMN CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cncc(=O)[nH]1 ZINC000426596674 257245810 /nfs/dbraw/zinc/24/58/10/257245810.db2.gz WXPLYGBRGUSLAI-AWEZNQCLSA-N 0 1 312.373 0.899 50 0 DCAAMN CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@H]12)C(C)C ZINC000001661197 395681207 /nfs/dbraw/zinc/68/12/07/395681207.db2.gz LMFKRLGHEKVMNT-DSRCVFDASA-N 0 1 313.394 0.327 50 0 biogenic DCAAMN CCc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1 ZINC000002768912 395681789 /nfs/dbraw/zinc/68/17/89/395681789.db2.gz MNKJNJWHGYHCQL-UHFFFAOYSA-N 0 1 311.396 0.786 50 0 DCAAMN CCc1nc([C@@H]2CN(Cc3ccn(C)c(=O)c3)CCO2)n[nH]1 ZINC000089289844 395710211 /nfs/dbraw/zinc/71/02/11/395710211.db2.gz HXNTWXYHPBGDBS-LBPRGKRZSA-N 0 1 303.366 0.639 50 0 DCAAMN CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(CCn2cncn2)C1 ZINC000089702325 395714543 /nfs/dbraw/zinc/71/45/43/395714543.db2.gz FPLNDOWSTYEJAZ-CQSZACIVSA-N 0 1 318.381 0.698 50 0 DCAAMN CS(=O)(=O)NCCNCc1cnn(Cc2ccccc2)c1 ZINC000035624222 395721333 /nfs/dbraw/zinc/72/13/33/395721333.db2.gz WPRKYGCBNRYLBQ-UHFFFAOYSA-N 0 1 308.407 0.570 50 0 DCAAMN CN(C)CC(=O)N1CCN(C(=O)/C=C\c2ccccn2)CC1 ZINC000096292698 395752279 /nfs/dbraw/zinc/75/22/79/395752279.db2.gz OPNXLFZLGAHHTQ-SREVYHEPSA-N 0 1 302.378 0.327 50 0 DCAAMN CN(C(=O)CN1CCC[C@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC000096441635 395753398 /nfs/dbraw/zinc/75/33/98/395753398.db2.gz IKMPWSWMQRTHLM-JTQLQIEISA-N 0 1 321.343 0.998 50 0 DCAAMN Cc1cccn(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1=O ZINC000096455271 395753771 /nfs/dbraw/zinc/75/37/71/395753771.db2.gz JOXGBPKRQVKWNL-OAHLLOKOSA-N 0 1 321.421 0.630 50 0 DCAAMN COC(=O)c1cn(C2CCN(Cc3cnn(C)c3C)CC2)nn1 ZINC000097376372 395757724 /nfs/dbraw/zinc/75/77/24/395757724.db2.gz ISXVMSPLWNLUAE-UHFFFAOYSA-N 0 1 318.381 0.944 50 0 DCAAMN CC1(CNC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)COC1 ZINC000112728410 395823477 /nfs/dbraw/zinc/82/34/77/395823477.db2.gz WXBRFCYLSSRHDL-UHFFFAOYSA-N 0 1 305.359 0.978 50 0 DCAAMN CS(=O)(=O)NCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000219149469 395844832 /nfs/dbraw/zinc/84/48/32/395844832.db2.gz TWZYITDMGFFSKL-UHFFFAOYSA-N 0 1 323.378 0.027 50 0 DCAAMN CS(=O)(=O)NCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000219149469 395844834 /nfs/dbraw/zinc/84/48/34/395844834.db2.gz TWZYITDMGFFSKL-UHFFFAOYSA-N 0 1 323.378 0.027 50 0 DCAAMN CCCCN(CCCCO)C(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000055153611 395912195 /nfs/dbraw/zinc/91/21/95/395912195.db2.gz JITXKWLBDLDVOB-CQSZACIVSA-N 0 1 313.442 0.585 50 0 DCAAMN Cc1ccc(C(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)n1C ZINC000118682876 395863827 /nfs/dbraw/zinc/86/38/27/395863827.db2.gz DDRLCWWCZDVVQY-UHFFFAOYSA-N 0 1 302.382 0.718 50 0 DCAAMN O=c1[nH]c2ccc(S(=O)(=O)Nc3cccnc3)cc2c(=O)[nH]1 ZINC000231415062 395884588 /nfs/dbraw/zinc/88/45/88/395884588.db2.gz IFNSHMXNVBDWAM-UHFFFAOYSA-N 0 1 318.314 0.412 50 0 DCAAMN C[C@@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1C ZINC000060894708 395965193 /nfs/dbraw/zinc/96/51/93/395965193.db2.gz YGBVPAKDEUUOHY-AGIUHOORSA-N 0 1 317.455 0.736 50 0 DCAAMN CN1CCN(c2cc(CNC(=O)Cn3cccn3)ccn2)CC1 ZINC000061632751 395969869 /nfs/dbraw/zinc/96/98/69/395969869.db2.gz JWTOVBAFHXPWND-UHFFFAOYSA-N 0 1 314.393 0.346 50 0 DCAAMN NC(=O)[C@@H]1CCN(CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247714393 395978095 /nfs/dbraw/zinc/97/80/95/395978095.db2.gz MIAJHDXMCCTJRD-YPMHNXCESA-N 0 1 303.362 0.434 50 0 DCAAMN CCc1n[nH]c2c1CN(CCn1c(=O)cc(C)[nH]c1=O)CC2 ZINC000253537202 396030462 /nfs/dbraw/zinc/03/04/62/396030462.db2.gz BKJVYOGWSFSJPQ-UHFFFAOYSA-N 0 1 303.366 0.601 50 0 DCAAMN NC(=O)CNC[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067713135 396031746 /nfs/dbraw/zinc/03/17/46/396031746.db2.gz KDPRATXFMJUXCM-QGZVFWFLSA-N 0 1 319.405 0.048 50 0 DCAAMN O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO)c1ccncc1 ZINC000257191941 396035229 /nfs/dbraw/zinc/03/52/29/396035229.db2.gz RWDUOHDCWOLFJO-DZGCQCFKSA-N 0 1 305.378 0.283 50 0 DCAAMN O=S(=O)(CCNC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000069814130 396090702 /nfs/dbraw/zinc/09/07/02/396090702.db2.gz GQYDDKUEWAZPKX-HNNXBMFYSA-N 0 1 324.446 0.913 50 0 DCAAMN O=S(=O)(CCNC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000069814128 396091058 /nfs/dbraw/zinc/09/10/58/396091058.db2.gz GQYDDKUEWAZPKX-OAHLLOKOSA-N 0 1 324.446 0.913 50 0 DCAAMN CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]1Cn1cncn1 ZINC000069930124 396095745 /nfs/dbraw/zinc/09/57/45/396095745.db2.gz VFJWRUCQWOJQLM-AWEZNQCLSA-N 0 1 317.397 0.135 50 0 DCAAMN Cc1nc([C@@H]2CN(CC(=O)NCc3ccccn3)CCO2)n[nH]1 ZINC000076048090 396194049 /nfs/dbraw/zinc/19/40/49/396194049.db2.gz IJJCVGWJNLRWRC-ZDUSSCGKSA-N 0 1 316.365 0.198 50 0 DCAAMN C[C@@H]1CN(C(=O)c2ccc(CS(C)(=O)=O)o2)C[C@@H]1N(C)C ZINC000076051569 396194303 /nfs/dbraw/zinc/19/43/03/396194303.db2.gz CKVKLNVMZDNPPO-PWSUYJOCSA-N 0 1 314.407 0.846 50 0 DCAAMN CCCc1nc([C@@H]2CN(C(=O)c3cnccn3)CCO2)n[nH]1 ZINC000078889957 396256328 /nfs/dbraw/zinc/25/63/28/396256328.db2.gz LHCONJGGMZRCLH-NSHDSACASA-N 0 1 302.338 0.761 50 0 DCAAMN CCCc1n[nH]c([C@@H]2CN(C(=O)c3cnccn3)CCO2)n1 ZINC000078889957 396256331 /nfs/dbraw/zinc/25/63/31/396256331.db2.gz LHCONJGGMZRCLH-NSHDSACASA-N 0 1 302.338 0.761 50 0 DCAAMN COc1ccc2nc(CNC(=O)CCc3nncn3C)[nH]c2c1 ZINC000584888259 396633393 /nfs/dbraw/zinc/63/33/93/396633393.db2.gz VHBQCBAESHWCTM-UHFFFAOYSA-N 0 1 314.349 0.949 50 0 DCAAMN Cc1nsc(NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000578090448 397389904 /nfs/dbraw/zinc/38/99/04/397389904.db2.gz LGKXUDJOJUFQDH-VHSXEESVSA-N 0 1 304.441 0.788 50 0 DCAAMN Cn1ncc2c1nc(N1CCCC1)nc2N1CCN(C)CC1 ZINC000021929760 415155090 /nfs/dbraw/zinc/15/50/90/415155090.db2.gz SSXGGKZVCQGNNV-UHFFFAOYSA-N 0 1 301.398 0.715 50 0 DCAAMN COc1ccccc1CCNC(=O)CN1CCC[C@@H](C(N)=O)C1 ZINC000007448539 415141713 /nfs/dbraw/zinc/14/17/13/415141713.db2.gz VPTAAHYHWJNCFX-CQSZACIVSA-N 0 1 319.405 0.551 50 0 DCAAMN Cc1[nH]nc(CCC(=O)N2CC[NH2+]C[C@H](CC(=O)[O-])C2)c1C ZINC000071753128 415407569 /nfs/dbraw/zinc/40/75/69/415407569.db2.gz DFUWVOQSTYTFMU-LBPRGKRZSA-N 0 1 308.382 0.482 50 0 DCAAMN Cc1nnnn1[C@@H](C(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000095357689 415555149 /nfs/dbraw/zinc/55/51/49/415555149.db2.gz SOVCKDBBDDUXHN-OAHLLOKOSA-N 0 1 323.360 0.879 50 0 DCAAMN C[S@@](=O)c1ncn(C[C@H](O)CN2CCc3ccccc3C2)n1 ZINC000095438961 415558784 /nfs/dbraw/zinc/55/87/84/415558784.db2.gz PJNMZXWRXJMYEX-PEBXRYMYSA-N 0 1 320.418 0.435 50 0 DCAAMN CC[C@@H]1CN(CC(=O)Nc2cccnc2)CCN1C[C@H](C)O ZINC000106906960 415652381 /nfs/dbraw/zinc/65/23/81/415652381.db2.gz WDKJUTQEDDIQNB-DZGCQCFKSA-N 0 1 306.410 0.797 50 0 DCAAMN CC[C@@H]1CN(CC(=O)Nc2ccncc2)CCN1C[C@H](C)O ZINC000107351168 415668549 /nfs/dbraw/zinc/66/85/49/415668549.db2.gz FCYLWKNIXXQWKE-DZGCQCFKSA-N 0 1 306.410 0.797 50 0 DCAAMN COCC[C@H]1COCCN1C(=O)CN(C)[C@H]1CCSC1 ZINC000253429380 416334792 /nfs/dbraw/zinc/33/47/92/416334792.db2.gz SBGCIYAKLDSGSM-STQMWFEESA-N 0 1 302.440 0.688 50 0 DCAAMN O=C([O-])C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000238159458 416329760 /nfs/dbraw/zinc/32/97/60/416329760.db2.gz DMIDLNSMYPTPAH-NSHDSACASA-N 0 1 316.354 0.653 50 0 DCAAMN O=c1cc(N2CCC[C@](O)(c3c[nH]nn3)C2)nc2ccccn12 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O=C(NCc1nn[n-]n1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426361877 257253048 /nfs/dbraw/zinc/25/30/48/257253048.db2.gz CKKRLUCYHAFXRL-LBPRGKRZSA-N 0 1 301.354 0.273 50 0 DCAAMN O=C(NCc1nn[n-]n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426361877 257253050 /nfs/dbraw/zinc/25/30/50/257253050.db2.gz CKKRLUCYHAFXRL-LBPRGKRZSA-N 0 1 301.354 0.273 50 0 DCAAMN COc1ccc(-n2c(=O)[n-]c(-[n+]3ccccc3)c(C=O)c2=O)cc1 ZINC000009358583 395685333 /nfs/dbraw/zinc/68/53/33/395685333.db2.gz YZZHFRAXMNNDPU-UHFFFAOYSA-O 0 1 324.316 0.624 50 0 DCAAMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCOCC1 ZINC000000425333 395680404 /nfs/dbraw/zinc/68/04/04/395680404.db2.gz OLJIAJJLZRMJCR-UHFFFAOYSA-N 0 1 305.359 0.918 50 0 DCAAMN O=C(CN1CCN(C[C@H](O)C2CC2)CC1)NC1CCCCC1 ZINC000085436831 395700597 /nfs/dbraw/zinc/70/05/97/395700597.db2.gz CPIBOGVUSJSQEN-INIZCTEOSA-N 0 1 309.454 0.824 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)[C@H]3CCN(C)C(=O)C3)CCO2)n[nH]1 ZINC000089289713 395709478 /nfs/dbraw/zinc/70/94/78/395709478.db2.gz 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ZINC000048428900 415292409 /nfs/dbraw/zinc/29/24/09/415292409.db2.gz VTWHYZIEUHASAB-ZIAGYGMSSA-N 0 1 311.426 0.329 50 0 DCAAMN COc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)nn1 ZINC000332334408 415350139 /nfs/dbraw/zinc/35/01/39/415350139.db2.gz PSUVDRKNESXWMX-QMMMGPOBSA-N 0 1 305.294 0.594 50 0 DCAAMN Cc1nc(CN2CCN(C(=O)C[C@@H]3COCCN3)CC2)cs1 ZINC000072149488 415410629 /nfs/dbraw/zinc/41/06/29/415410629.db2.gz WPPQDVNUVDOCNA-CYBMUJFWSA-N 0 1 324.450 0.474 50 0 DCAAMN OCC[C@H]1CN(CCO)CCN1Cc1ccc(F)c(F)c1 ZINC000067689056 415384416 /nfs/dbraw/zinc/38/44/16/415384416.db2.gz VRHZXZPXMFOCHN-ZDUSSCGKSA-N 0 1 300.349 0.826 50 0 DCAAMN CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@H]1CNCCO1)CC2 ZINC000095367535 415552545 /nfs/dbraw/zinc/55/25/45/415552545.db2.gz RQPHOEMIILPCQR-CQSZACIVSA-N 0 1 323.437 0.472 50 0 DCAAMN CCCCSc1nc(N)cc(NCCNS(C)(=O)=O)n1 ZINC000095366273 415555333 /nfs/dbraw/zinc/55/53/33/415555333.db2.gz LCKQLQFAFPKYFQ-UHFFFAOYSA-N 0 1 319.456 0.912 50 0 DCAAMN COCCN(C(=O)CN(C)c1ncnc2[nH]cnc21)C1CC1 ZINC000095954262 415565522 /nfs/dbraw/zinc/56/55/22/415565522.db2.gz QXROYGZIBYKCFG-UHFFFAOYSA-N 0 1 304.354 0.427 50 0 DCAAMN Cc1n[nH]c(CCNC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000095504284 415565650 /nfs/dbraw/zinc/56/56/50/415565650.db2.gz JMZNEMCCCJWMIP-UHFFFAOYSA-N 0 1 323.378 0.881 50 0 DCAAMN CNC(=O)c1noc(CNC(=O)[C@@H](C)N2CCCCCC2)n1 ZINC000299770355 416065884 /nfs/dbraw/zinc/06/58/84/416065884.db2.gz QHLCGDFGGIGLDH-SNVBAGLBSA-N 0 1 309.370 0.310 50 0 DCAAMN COc1cc2c(cc1CNC(=O)[C@H]1CNCCO1)OCCO2 ZINC000299776228 416067693 /nfs/dbraw/zinc/06/76/93/416067693.db2.gz MFWBTQPRESMOLI-CQSZACIVSA-N 0 1 308.334 0.071 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C[C@@H](C)N1 ZINC000179161502 416182858 /nfs/dbraw/zinc/18/28/58/416182858.db2.gz BAGCBKJVODXIIP-ZYUZMQFOSA-N 0 1 307.316 0.652 50 0 DCAAMN C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CCO1 ZINC000246875134 416332373 /nfs/dbraw/zinc/33/23/73/416332373.db2.gz VGFOPBSIEGEPAI-SYQHCUMBSA-N 0 1 310.394 0.951 50 0 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CC(C)N1CCO[C@H](CC(=O)NCCCn2ccccc2=O)C1 ZINC000670467497 547100474 /nfs/dbraw/zinc/10/04/74/547100474.db2.gz UDIGVWRGMLTWAO-OAHLLOKOSA-N 0 1 321.421 0.854 50 0 DCAAMN CC(=O)N1CCC[C@H](S(=O)(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000257365071 563595092 /nfs/dbraw/zinc/59/50/92/563595092.db2.gz FUUURUZFUUCUOH-KBPBESRZSA-N 0 1 315.439 0.107 50 0 DCAAMN CC(C)(C[N@H+]1C[C@@H]2COCC[C@]2(C(=O)[O-])C1)N1CCOCC1 ZINC001772707804 1157844750 /nfs/dbraw/zinc/84/47/50/1157844750.db2.gz WKXSNWJYMUGQFS-CJNGLKHVSA-N 0 1 312.410 0.520 50 0 DCAAMN O[C@@]1(c2c[nH]nn2)CCN(c2ncnc3ccc(F)cc32)C1 ZINC000793992869 669764226 /nfs/dbraw/zinc/76/42/26/669764226.db2.gz QEXQLYHYIQTITP-AWEZNQCLSA-N 0 1 300.297 0.985 50 0 DCAAMN O=S(=O)([N-]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-c2ccno2)o1 ZINC000082136900 670466519 /nfs/dbraw/zinc/46/65/19/670466519.db2.gz YARJBHHWKXFNKZ-IUCAKERBSA-N 0 1 315.326 0.913 50 0 DCAAMN C[C@H](c1nccs1)N(C)C(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000952963550 685597927 /nfs/dbraw/zinc/59/79/27/685597927.db2.gz 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O=S(=O)([N-]C[C@H]1C[NH2+]CCOC1)c1ccc(F)c(F)c1F ZINC000072164816 191064518 /nfs/dbraw/zinc/06/45/18/191064518.db2.gz KZEMYZSCIODUSN-MRVPVSSYSA-N 0 1 324.324 0.618 50 0 DCAAMN COC(=O)[C@H]1CCC[C@H]1NC(=O)c1nnc2ccccc2c1O ZINC000152456782 186075414 /nfs/dbraw/zinc/07/54/14/186075414.db2.gz KDIMQSOJEDWPCE-WDEREUQCSA-N 0 1 315.329 0.995 50 0 DCAAMN NS(=O)(=O)c1ccc(NC(=O)CSc2c[nH]nn2)cc1 ZINC000004386607 181106267 /nfs/dbraw/zinc/10/62/67/181106267.db2.gz ZBLTZBAGKANPKG-UHFFFAOYSA-N 0 1 313.364 0.183 50 0 DCAAMN CN(C(=O)[C@@H]1CNCCO1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000237281337 202217317 /nfs/dbraw/zinc/21/73/17/202217317.db2.gz RJGMXSSXFYCBKW-KGLIPLIRSA-N 0 1 321.352 0.378 50 0 DCAAMN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CNCCO1 ZINC000187225581 200079618 /nfs/dbraw/zinc/07/96/18/200079618.db2.gz MUVOJOQOXHWAHB-CYBMUJFWSA-N 0 1 316.361 0.260 50 0 DCAAMN C[C@H]1CN(C(=O)c2ccc(Cn3ccccc3=O)o2)CCN1 ZINC000237552136 202281586 /nfs/dbraw/zinc/28/15/86/202281586.db2.gz XMYXVBRTBOFUTR-LBPRGKRZSA-N 0 1 301.346 0.924 50 0 DCAAMN C[C@H]1CN(C(=O)Cc2csc(N3CCCNC3=O)n2)CCN1 ZINC000237748586 202345882 /nfs/dbraw/zinc/34/58/82/202345882.db2.gz CTUDECUMYLRJDR-JTQLQIEISA-N 0 1 323.422 0.426 50 0 DCAAMN Cn1ncc2c1nc(C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C3CC3)C1)[nH]c2=O ZINC000091643651 193084345 /nfs/dbraw/zinc/08/43/45/193084345.db2.gz HVPVKECRGYYOQV-WDEREUQCSA-N 0 1 317.349 0.612 50 0 DCAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccncc1 ZINC000020761300 182246395 /nfs/dbraw/zinc/24/63/95/182246395.db2.gz PTVZDPDEDIJGIH-CQSZACIVSA-N 0 1 315.333 0.635 50 0 biogenic DCAAMN O=C(NC1CC1)[C@H]1CCCN(c2nc3[nH]cnc(=O)c3s2)C1 ZINC000040478775 183076108 /nfs/dbraw/zinc/07/61/08/183076108.db2.gz KOUCXUPRKJMTOJ-QMMMGPOBSA-N 0 1 319.390 0.875 50 0 DCAAMN C[C@@H](Cn1cccn1)NC(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000057110169 184027371 /nfs/dbraw/zinc/02/73/71/184027371.db2.gz DWWCATQWMXYBCY-JTQLQIEISA-N 0 1 314.353 0.191 50 0 DCAAMN C[C@H]1CN(C(=O)CN(C)c2ncnc3[nH]cnc32)CC(C)(C)O1 ZINC000065612000 184373797 /nfs/dbraw/zinc/37/37/97/184373797.db2.gz NUCDQWNUHPVPNU-JTQLQIEISA-N 0 1 318.381 0.815 50 0 DCAAMN CC[N@H+]1CCC[C@@H]1CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000242688103 285254255 /nfs/dbraw/zinc/25/42/55/285254255.db2.gz VFTQFIAOSCQNOF-ZRTFPUAOSA-N 0 1 306.362 0.337 50 0 DCAAMN C[C@@H](CO)N1CCCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 ZINC000356977048 257235797 /nfs/dbraw/zinc/23/57/97/257235797.db2.gz JFPFHNWSXCBDSM-HOCLYGCPSA-N 0 1 306.406 0.505 50 0 DCAAMN Cc1nc(C)c(CC(=O)N2CCN3CCN(C)C[C@H]3C2)s1 ZINC000106241043 257242511 /nfs/dbraw/zinc/24/25/11/257242511.db2.gz DHIFFOKYGMGXTA-ZDUSSCGKSA-N 0 1 308.451 0.761 50 0 DCAAMN CCn1c(C)ccc(C(=O)NCCSc2cn[nH]n2)c1=O ZINC000426723866 257243423 /nfs/dbraw/zinc/24/34/23/257243423.db2.gz KTDISUQYOWWXFB-UHFFFAOYSA-N 0 1 307.379 0.817 50 0 DCAAMN Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426612726 257245422 /nfs/dbraw/zinc/24/54/22/257245422.db2.gz XMFBCMHZSMMYKW-UHFFFAOYSA-N 0 1 312.333 0.863 50 0 DCAAMN 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/nfs/dbraw/zinc/24/70/17/257247017.db2.gz KPTZXBBOYZWNBF-GFCCVEGCSA-N 0 1 323.397 0.842 50 0 DCAAMN COc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)c1 ZINC000426523739 257247634 /nfs/dbraw/zinc/24/76/34/257247634.db2.gz VYTUZWMULCURNL-NSHDSACASA-N 0 1 322.361 0.701 50 0 DCAAMN C[NH+](C)C[C@H]1COCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000426412430 257251884 /nfs/dbraw/zinc/25/18/84/257251884.db2.gz LTQKUTAHYKTJPG-LLVKDONJSA-N 0 1 320.393 0.710 50 0 DCAAMN COc1ccc(OC)c([C@@H](O)CN2CCN(C[C@@H](C)O)CC2)c1 ZINC000071877153 184881965 /nfs/dbraw/zinc/88/19/65/184881965.db2.gz ZYSORTXSVMNVFV-CJNGLKHVSA-N 0 1 324.421 0.736 50 0 DCAAMN COC(=O)CC(C)(C)C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000408516088 533297545 /nfs/dbraw/zinc/29/75/45/533297545.db2.gz MKHQLBOSLNXPOC-SNVBAGLBSA-N 0 1 310.354 0.602 50 0 DCAAMN Cc1ccc([C@H](CNC(=O)Nc2nn[nH]n2)N2CCOCC2)o1 ZINC000023213920 395692261 /nfs/dbraw/zinc/69/22/61/395692261.db2.gz JXTPYAOTVSYTFM-JTQLQIEISA-N 0 1 321.341 0.296 50 0 DCAAMN 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50 0 DCAAMN Cc1cccc([C@@H](NC(=O)CC[NH+]2CCOCC2)C(=O)[O-])c1 ZINC000219150126 395844444 /nfs/dbraw/zinc/84/44/44/395844444.db2.gz MHHVJKYAUKGVRW-OAHLLOKOSA-N 0 1 306.362 0.959 50 0 DCAAMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCn1cnc(C)c1C ZINC000221402685 395851526 /nfs/dbraw/zinc/85/15/26/395851526.db2.gz MJNVFHGVWVDIJD-AWEZNQCLSA-N 0 1 318.381 0.087 50 0 DCAAMN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cnn[nH]2)cn1 ZINC000223413560 395855232 /nfs/dbraw/zinc/85/52/32/395855232.db2.gz HJJACDHIDBJSOA-YPMHNXCESA-N 0 1 303.322 0.474 50 0 DCAAMN CC[N@@H+](CC(=O)NC[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000110620932 395800690 /nfs/dbraw/zinc/80/06/90/395800690.db2.gz YOONQVIQFPDLQN-OLZOCXBDSA-N 0 1 304.456 0.904 50 0 DCAAMN CCN(CC(=O)NC[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(C)C ZINC000110620932 395800694 /nfs/dbraw/zinc/80/06/94/395800694.db2.gz YOONQVIQFPDLQN-OLZOCXBDSA-N 0 1 304.456 0.904 50 0 DCAAMN CC(C)Cn1cncc1CNC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000055089935 395910688 /nfs/dbraw/zinc/91/06/88/395910688.db2.gz 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396091094 /nfs/dbraw/zinc/09/10/94/396091094.db2.gz WTYDAHLETOZYPZ-CQSZACIVSA-N 0 1 314.393 0.702 50 0 DCAAMN O=C(CN1CCC[C@H](Cn2cncn2)C1)NCc1ccccn1 ZINC000069818566 396091266 /nfs/dbraw/zinc/09/12/66/396091266.db2.gz WTYDAHLETOZYPZ-AWEZNQCLSA-N 0 1 314.393 0.702 50 0 DCAAMN C(Nc1nc2n[nH]nc2c(N2CCOCC2)n1)[C@@H]1CCCO1 ZINC000070637489 396102839 /nfs/dbraw/zinc/10/28/39/396102839.db2.gz IWBDVIZJLMQOIJ-VIFPVBQESA-N 0 1 305.342 0.175 50 0 DCAAMN C[C@H]1CCCN(C(=O)CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000075104631 396176118 /nfs/dbraw/zinc/17/61/18/396176118.db2.gz DMTOTYGHDIYSAW-JTQLQIEISA-N 0 1 301.350 0.946 50 0 DCAAMN Cc1nc([C@@H]2CN(C(=O)[C@H](C)OCC(F)(F)F)CCO2)n[nH]1 ZINC000076045554 396192602 /nfs/dbraw/zinc/19/26/02/396192602.db2.gz XRVBHWAAJNRIQK-CBAPKCEASA-N 0 1 322.287 0.980 50 0 DCAAMN CCOc1nnc(CN2CCO[C@@H](c3n[nH]c(C)n3)C2)s1 ZINC000076048175 396193633 /nfs/dbraw/zinc/19/36/33/396193633.db2.gz DRWVXJIFKWHZJN-SECBINFHSA-N 0 1 310.383 0.937 50 0 DCAAMN CCCc1nc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)n[nH]1 ZINC000078894407 396257046 /nfs/dbraw/zinc/25/70/46/396257046.db2.gz RNVVWASZJIECBM-LBPRGKRZSA-N 0 1 307.398 0.753 50 0 DCAAMN CCCc1n[nH]c([C@@H]2CN(CC(=O)N3CCCC3)CCO2)n1 ZINC000078894407 396257049 /nfs/dbraw/zinc/25/70/49/396257049.db2.gz RNVVWASZJIECBM-LBPRGKRZSA-N 0 1 307.398 0.753 50 0 DCAAMN O=C(COCc1nc2ccc(F)cc2[nH]1)N1CCOC[C@H](O)C1 ZINC000077504638 396224596 /nfs/dbraw/zinc/22/45/96/396224596.db2.gz OSQMWEOLQSAVOM-LLVKDONJSA-N 0 1 323.324 0.438 50 0 DCAAMN CCn1c(C)cc(C)c(C(=O)NCCCc2nn[nH]n2)c1=O ZINC000584903609 396636964 /nfs/dbraw/zinc/63/69/64/396636964.db2.gz MUTLTEVQUZDSLB-UHFFFAOYSA-N 0 1 304.354 0.361 50 0 DCAAMN Cc1ccc2c(c1)NN=C(C(=O)N1CCOCC1)S2(=O)=O ZINC000062592027 292335848 /nfs/dbraw/zinc/33/58/48/292335848.db2.gz ASCQVHJOZPZJCS-UHFFFAOYSA-N 0 1 309.347 0.367 50 0 DCAAMN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)N[C@@H](C)C2)c1 ZINC000255847450 287127087 /nfs/dbraw/zinc/12/70/87/287127087.db2.gz PIBDXYHHFGSPKM-DFPOMNKCSA-N 0 1 302.378 0.663 50 0 DCAAMN C[C@@H]1Nc2nc(N)[nH]c(=O)c2N(C(=O)c2cccnc2)[C@H]1C ZINC000005130903 415134244 /nfs/dbraw/zinc/13/42/44/415134244.db2.gz BTWHZQREJHEVAN-YUMQZZPRSA-N 0 1 300.322 0.596 50 0 DCAAMN CNC(=O)c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)nc1 ZINC000044907894 415233079 /nfs/dbraw/zinc/23/30/79/415233079.db2.gz ZFBHULSQNNDFRS-AWEZNQCLSA-N 0 1 304.394 0.742 50 0 DCAAMN COCCN1CCCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)CC1 ZINC000048428898 415290104 /nfs/dbraw/zinc/29/01/04/415290104.db2.gz VTWHYZIEUHASAB-KGLIPLIRSA-N 0 1 311.426 0.329 50 0 DCAAMN Cc1nnnn1-c1cccc(C(=O)N2CCc3nc[nH]c3C2)c1 ZINC000095382062 415558849 /nfs/dbraw/zinc/55/88/49/415558849.db2.gz LUAXJKMCKGZZNQ-UHFFFAOYSA-N 0 1 309.333 0.892 50 0 DCAAMN C[S@@](=O)c1ncn(C[C@@H](O)CN2CCc3ccccc3C2)n1 ZINC000095438963 415559897 /nfs/dbraw/zinc/55/98/97/415559897.db2.gz PJNMZXWRXJMYEX-FPTDNZKUSA-N 0 1 320.418 0.435 50 0 DCAAMN COc1ncnc(N)c1CN[C@H]1CCN(c2ncccc2F)C1 ZINC000097036884 415582265 /nfs/dbraw/zinc/58/22/65/415582265.db2.gz 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416327506 /nfs/dbraw/zinc/32/75/06/416327506.db2.gz QGRPBKRQBNIVAD-CYBMUJFWSA-N 0 1 318.381 0.554 50 0 DCAAMN Cc1cncnc1C1CCN(C(=O)CN2CCC[C@H](O)C2)CC1 ZINC000216166080 416327597 /nfs/dbraw/zinc/32/75/97/416327597.db2.gz ADPXGRCVJUCSEP-HNNXBMFYSA-N 0 1 318.421 0.948 50 0 DCAAMN Cc1ccc(Cl)c(OC[C@H](O)CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000225533326 416327780 /nfs/dbraw/zinc/32/77/80/416327780.db2.gz DWMPVCWBPDJXJF-RTXFEEFZSA-N 0 1 301.770 0.426 50 0 DCAAMN CCc1cnccc1C(=O)N1CCC[C@](O)(c2c[nH]nn2)C1 ZINC000583618914 416477635 /nfs/dbraw/zinc/47/76/35/416477635.db2.gz GYXBXCJCPPLLIR-OAHLLOKOSA-N 0 1 301.350 0.886 50 0 DCAAMN Cc1cc(C)n(CC(=O)N2CCC[C@@](O)(c3c[nH]nn3)C2)n1 ZINC000583617827 416478035 /nfs/dbraw/zinc/47/80/35/416478035.db2.gz WEPWJPNAWLFYOT-AWEZNQCLSA-N 0 1 304.354 0.128 50 0 DCAAMN Cc1cc(C)n(CC(=O)N2CCC[C@](O)(c3c[nH]nn3)C2)n1 ZINC000583617828 416479239 /nfs/dbraw/zinc/47/92/39/416479239.db2.gz WEPWJPNAWLFYOT-CQSZACIVSA-N 0 1 304.354 0.128 50 0 DCAAMN O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000575314505 417527442 /nfs/dbraw/zinc/52/74/42/417527442.db2.gz PZDOHCPVKUWGMW-LBPRGKRZSA-N 0 1 307.379 0.909 50 0 DCAAMN CCN(C)[C@@H](C(=O)N1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000229814372 276308974 /nfs/dbraw/zinc/30/89/74/276308974.db2.gz OPJFROGJMOZCGY-ZIAGYGMSSA-N 0 1 305.378 0.392 50 0 DCAAMN CCO[C@H]1COC[C@@H]1n1ccnc1-c1cc2n(n1)CCNC2 ZINC000072470013 276487220 /nfs/dbraw/zinc/48/72/20/276487220.db2.gz BPIIDTIZGNAVBM-KBPBESRZSA-N 0 1 303.366 0.826 50 0 DCAAMN COC(=O)NCC(=O)N(C)C[C@H]1Cc2ccccc2CN1C ZINC000082157611 277335474 /nfs/dbraw/zinc/33/54/74/277335474.db2.gz QVJZBIRHGMRENT-CQSZACIVSA-N 0 1 305.378 0.858 50 0 DCAAMN Cc1[nH]ncc1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000285226798 279061017 /nfs/dbraw/zinc/06/10/17/279061017.db2.gz PPSNPAHPKOKZQQ-MJBXVCDLSA-N 0 1 308.382 0.790 50 0 DCAAMN O=S1(=O)CCN(C2CCN(C[C@H]3CCCCO3)CC2)CC1 ZINC000097094661 337382029 /nfs/dbraw/zinc/38/20/29/337382029.db2.gz QRWVOEWJIYDYCY-OAHLLOKOSA-N 0 1 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ZINC000675013911 748025896 /nfs/dbraw/zinc/02/58/96/748025896.db2.gz RUNJQVZZZSLETJ-ZDUSSCGKSA-N 0 1 309.414 0.727 50 0 DCAAMN O=c1ccc(C2CC2)nn1CC1CN(c2ncnc3[nH]cnc32)C1 ZINC000585603090 768081840 /nfs/dbraw/zinc/08/18/40/768081840.db2.gz IHFSWAIACHVEKN-UHFFFAOYSA-N 0 1 323.360 0.923 50 0 DCAAMN C[C@@H](NC(=O)[C@@H]1CCCN(CC(N)=O)C1)c1ccc(O)cc1 ZINC000952874091 768936862 /nfs/dbraw/zinc/93/68/62/768936862.db2.gz URZDJKJLFSHFHA-DGCLKSJQSA-N 0 1 305.378 0.767 50 0 DCAAMN C[C@H](NC(=O)[C@@H]1CCCN(CC(N)=O)C1)c1ccc(O)cc1 ZINC000952874092 768937105 /nfs/dbraw/zinc/93/71/05/768937105.db2.gz URZDJKJLFSHFHA-WCQYABFASA-N 0 1 305.378 0.767 50 0 DCAAMN COCCn1ccnc1CN1C[C@H](O)[C@H](Cc2cc(C)n[nH]2)C1 ZINC001529173528 1014512456 /nfs/dbraw/zinc/51/24/56/1014512456.db2.gz XXAHZQZVRXYCFU-HIFRSBDPSA-N 0 1 319.409 0.596 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@@H]2O)n[nH]1 ZINC001529186803 1014516800 /nfs/dbraw/zinc/51/68/00/1014516800.db2.gz KGXDUGOTSLODDP-OCCSQVGLSA-N 0 1 320.393 0.092 50 0 DCAAMN Cn1cc(CCC(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)cn1 ZINC000069966594 190843213 /nfs/dbraw/zinc/84/32/13/190843213.db2.gz JZTBGCYLVDYWKE-OAHLLOKOSA-N 0 1 322.453 0.904 50 0 DCAAMN COCc1cc(CNC(=O)C(=O)N2CCc3ccccc32)n[nH]1 ZINC000071764304 191028235 /nfs/dbraw/zinc/02/82/35/191028235.db2.gz VJPBEDYGCSIEGC-UHFFFAOYSA-N 0 1 314.345 0.762 50 0 DCAAMN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN2CCC[C@@H]2C1 ZINC000072277735 191098405 /nfs/dbraw/zinc/09/84/05/191098405.db2.gz ZDNLAUWNDSLFMC-GFCCVEGCSA-N 0 1 324.402 0.927 50 0 DCAAMN CCC(=O)Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1 ZINC000072438158 191166548 /nfs/dbraw/zinc/16/65/48/191166548.db2.gz HTMGUHNKLGMNLQ-ZETCQYMHSA-N 0 1 320.396 0.344 50 0 DCAAMN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCNCC1 ZINC000237839399 202367108 /nfs/dbraw/zinc/36/71/08/202367108.db2.gz CVZJLMVMWDGZQC-SNVBAGLBSA-N 0 1 309.316 0.750 50 0 DCAAMN CN(CCCc1cnn(C)c1)C(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000091289456 193031003 /nfs/dbraw/zinc/03/10/03/193031003.db2.gz IFMGLFSTGHCHPD-AWEZNQCLSA-N 0 1 321.425 0.008 50 0 DCAAMN COCC1(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)CC1 ZINC000091636988 193082343 /nfs/dbraw/zinc/08/23/43/193082343.db2.gz FFSPPXUXIIBFRW-MRXNPFEDSA-N 0 1 309.410 0.226 50 0 DCAAMN COCC1(C(=O)N2CCN(C)[C@@]3(C2)CCNC(=O)CC3)CC1 ZINC000091636988 193082344 /nfs/dbraw/zinc/08/23/44/193082344.db2.gz FFSPPXUXIIBFRW-MRXNPFEDSA-N 0 1 309.410 0.226 50 0 DCAAMN Cn1nnnc1SCCNc1nc(N)nc2c1CCCC2 ZINC000091829169 193113151 /nfs/dbraw/zinc/11/31/51/193113151.db2.gz HYFNLFARSKKNGZ-UHFFFAOYSA-N 0 1 306.399 0.665 50 0 DCAAMN CN1CCN(Cc2ccc(N3CC[C@](C)(O)[C@@H](O)C3)nc2)CC1 ZINC000096153216 193554360 /nfs/dbraw/zinc/55/43/60/193554360.db2.gz RSGXSNZAZURFQT-RDJZCZTQSA-N 0 1 320.437 0.151 50 0 DCAAMN CCCCN1C(=O)NC(=O)C(=C(C)NC[C@@H]2CCCO2)C1=O ZINC000020333059 182209172 /nfs/dbraw/zinc/20/91/72/182209172.db2.gz DYPMZRYQWSEXKI-OCUQMRJBSA-N 0 1 309.366 0.908 50 0 DCAAMN COc1ccc2oc(=O)cc(CN3CCN(CCO)CC3)c2c1 ZINC000020446857 182217992 /nfs/dbraw/zinc/21/79/92/182217992.db2.gz MQCPMPGVLRDTED-UHFFFAOYSA-N 0 1 318.373 0.912 50 0 DCAAMN COc1ccc(COC[C@@H](O)CN2CCN(C)CC2)cc1OC ZINC000022045072 182306543 /nfs/dbraw/zinc/30/65/43/182306543.db2.gz WHCSJHCMHYJIIZ-HNNXBMFYSA-N 0 1 324.421 0.829 50 0 DCAAMN CC(C)Cc1n[nH]c(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000023543939 182363405 /nfs/dbraw/zinc/36/34/05/182363405.db2.gz OXHUWVHUORXDIM-VIFPVBQESA-N 0 1 315.399 0.559 50 0 DCAAMN CC(C)Cc1nc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000023543939 182363407 /nfs/dbraw/zinc/36/34/07/182363407.db2.gz OXHUWVHUORXDIM-VIFPVBQESA-N 0 1 315.399 0.559 50 0 DCAAMN O=C(NCCn1ccnc1)N1CCC(CN2CCOCC2)CC1 ZINC000043311457 183354299 /nfs/dbraw/zinc/35/42/99/183354299.db2.gz AFOULPIMKBTMTL-UHFFFAOYSA-N 0 1 321.425 0.637 50 0 DCAAMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCCCNC1=O ZINC000058393600 184112743 /nfs/dbraw/zinc/11/27/43/184112743.db2.gz XGGSIUACMRBJJK-CQSZACIVSA-N 0 1 321.425 0.323 50 0 DCAAMN CCOC(=O)[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000065538835 184362835 /nfs/dbraw/zinc/36/28/35/184362835.db2.gz VMYMATMCUCNZFV-ZETCQYMHSA-N 0 1 321.358 0.893 50 0 DCAAMN O=C(NCCc1cnc[nH]1)N1CCN(c2cnccn2)CC1 ZINC000426491345 257248221 /nfs/dbraw/zinc/24/82/21/257248221.db2.gz CNXVLEYAWHLHJK-UHFFFAOYSA-N 0 1 301.354 0.274 50 0 DCAAMN C[C@H](O)CN1CCN([C@@H](C)C(=O)NCc2ccco2)C[C@H]1C ZINC000252474409 257258609 /nfs/dbraw/zinc/25/86/09/257258609.db2.gz CVIQYEOAPLGENH-RDBSUJKOSA-N 0 1 309.410 0.671 50 0 DCAAMN C[C@H](O)CN1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000071877455 184883508 /nfs/dbraw/zinc/88/35/08/184883508.db2.gz OMCKKUFXZGQKJK-AWEZNQCLSA-N 0 1 301.394 0.766 50 0 DCAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000028223336 395695790 /nfs/dbraw/zinc/69/57/90/395695790.db2.gz SNHCKLRHBPMJOH-CYBMUJFWSA-N 0 1 317.455 0.212 50 0 DCAAMN CCc1nc(N2C[C@H]3C[N@@H+](CCO)C[C@@]3(C(=O)[O-])C2)ncc1C ZINC000096165159 395746649 /nfs/dbraw/zinc/74/66/49/395746649.db2.gz UCWVPPFRBIXLCO-MLGOLLRUSA-N 0 1 320.393 0.163 50 0 DCAAMN CCc1nc(CN2CCN(c3ncnc4[nH]cnc43)CC2)no1 ZINC000096456224 395753730 /nfs/dbraw/zinc/75/37/30/395753730.db2.gz AAJWDVQFLWRKKV-UHFFFAOYSA-N 0 1 314.353 0.621 50 0 DCAAMN O=C(C1CC1)N1CCN(CCCc2cccnc2)C[C@@H](O)C1 ZINC000097475389 395758194 /nfs/dbraw/zinc/75/81/94/395758194.db2.gz ISMMLDLCSYPSCG-MRXNPFEDSA-N 0 1 303.406 0.929 50 0 DCAAMN Cn1cc(N2CC[C@@H](N[C@@H](CO)c3ccccc3)C2=O)cn1 ZINC000097081906 395755025 /nfs/dbraw/zinc/75/50/25/395755025.db2.gz MUKGMNKPBMBGKP-CABCVRRESA-N 0 1 300.362 0.849 50 0 DCAAMN CCc1nc(CN2CCN(c3cncc(OC)n3)CC2)n[nH]1 ZINC000097096423 395755300 /nfs/dbraw/zinc/75/53/00/395755300.db2.gz GMDHMUUXWQXXAL-UHFFFAOYSA-N 0 1 303.370 0.488 50 0 DCAAMN Cc1ncc(CN2CCN(C(=O)C3CC=CC3)C[C@H](O)C2)[nH]1 ZINC000097436946 395757444 /nfs/dbraw/zinc/75/74/44/395757444.db2.gz BUNCQRZOWIEUQF-OAHLLOKOSA-N 0 1 304.394 0.689 50 0 DCAAMN c1nc(N2CCOCC2)ncc1-c1nnc(C2CCOCC2)[nH]1 ZINC000102534146 395770419 /nfs/dbraw/zinc/77/04/19/395770419.db2.gz AEDYVLDPDFIYDA-UHFFFAOYSA-N 0 1 316.365 0.992 50 0 DCAAMN Nc1nnnn1CC(=O)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000221232126 395850136 /nfs/dbraw/zinc/85/01/36/395850136.db2.gz BSLRMRANYIQURK-UHFFFAOYSA-N 0 1 318.316 0.020 50 0 DCAAMN COC[C@H](C)NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000222197732 395851777 /nfs/dbraw/zinc/85/17/77/395851777.db2.gz RZNHTQQTKYPCTJ-KBPBESRZSA-N 0 1 306.410 0.967 50 0 DCAAMN COCc1cc(CNC(=O)c2ccc(OC)nc2OC)n[nH]1 ZINC000222397772 395852624 /nfs/dbraw/zinc/85/26/24/395852624.db2.gz DNGVJTSDDHQTJO-UHFFFAOYSA-N 0 1 306.322 0.898 50 0 DCAAMN Cc1nc2ncccn2c1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N(C)C ZINC000222976230 395853248 /nfs/dbraw/zinc/85/32/48/395853248.db2.gz XBDUANYBAAAANI-ZMJPVWNMSA-N 0 1 315.377 0.485 50 0 DCAAMN CNC(=O)CCN(C)Cc1cnc(NC[C@H]2CCCO2)nc1 ZINC000244866338 395925898 /nfs/dbraw/zinc/92/58/98/395925898.db2.gz VUHSTLUZIGAMPL-CYBMUJFWSA-N 0 1 307.398 0.635 50 0 DCAAMN Cn1c2ccccc2cc(CN2CCN(c3nc[nH]n3)CC2)c1=O ZINC000244882642 395926235 /nfs/dbraw/zinc/92/62/35/395926235.db2.gz XVQCNTBRQSWECE-UHFFFAOYSA-N 0 1 324.388 0.979 50 0 DCAAMN Cc1cnn(C[C@@H]2CCCN2CC(=O)N2CCO[C@@H](C)C2)c1 ZINC000229490961 395874899 /nfs/dbraw/zinc/87/48/99/395874899.db2.gz RIKUNXFWGOREDD-GJZGRUSLSA-N 0 1 306.410 0.903 50 0 DCAAMN CC(C)c1nnc([C@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)[nH]1 ZINC000229826356 395876609 /nfs/dbraw/zinc/87/66/09/395876609.db2.gz KVILTWLDAVGRQI-CHWSQXEVSA-N 0 1 320.397 0.559 50 0 DCAAMN CC(C)c1nc([C@H]2CN(C[C@@H](O)Cn3cccn3)CCO2)n[nH]1 ZINC000229826356 395876611 /nfs/dbraw/zinc/87/66/11/395876611.db2.gz KVILTWLDAVGRQI-CHWSQXEVSA-N 0 1 320.397 0.559 50 0 DCAAMN Cc1nc(CCN2CCN(c3cc(=O)[nH]c(N)n3)CC2)cs1 ZINC000253536776 396030518 /nfs/dbraw/zinc/03/05/18/396030518.db2.gz OGOWKFHTHLGDQR-UHFFFAOYSA-N 0 1 320.422 0.894 50 0 DCAAMN CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C(C)(C)C)[nH]n1 ZINC000067713546 396031795 /nfs/dbraw/zinc/03/17/95/396031795.db2.gz XPFDYHOZHQYBIL-NSHDSACASA-N 0 1 307.398 0.144 50 0 DCAAMN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N3CCOCC3)C2)n1 ZINC000069846234 396092379 /nfs/dbraw/zinc/09/23/79/396092379.db2.gz FEXSPIZJVZQLQL-OAHLLOKOSA-N 0 1 321.425 0.466 50 0 DCAAMN C[N@@H+]1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1C(=O)[O-] ZINC000071278962 396111543 /nfs/dbraw/zinc/11/15/43/396111543.db2.gz MJHRZGMQFQMNGJ-GFCCVEGCSA-N 0 1 315.333 0.313 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1C(=O)[O-] ZINC000071278962 396111545 /nfs/dbraw/zinc/11/15/45/396111545.db2.gz MJHRZGMQFQMNGJ-GFCCVEGCSA-N 0 1 315.333 0.313 50 0 DCAAMN O=C(c1cc(C2CC2)[nH]n1)N1CCC2(CC1)NC(=O)NC2=O ZINC000071798156 396115415 /nfs/dbraw/zinc/11/54/15/396115415.db2.gz KRHDRUAZWVBFOD-UHFFFAOYSA-N 0 1 303.322 0.101 50 0 DCAAMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)OCC(F)(F)F)CCO2)n[nH]1 ZINC000076045552 396193110 /nfs/dbraw/zinc/19/31/10/396193110.db2.gz XRVBHWAAJNRIQK-VXNVDRBHSA-N 0 1 322.287 0.980 50 0 DCAAMN Cc1nc([C@@H]2CN(C[C@H](O)COCc3ccco3)CCO2)n[nH]1 ZINC000076050357 396194285 /nfs/dbraw/zinc/19/42/85/396194285.db2.gz LAUULORXDFXSFE-JSGCOSHPSA-N 0 1 322.365 0.657 50 0 DCAAMN CC(C)(C)c1nc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)n[nH]1 ZINC000078890059 396256094 /nfs/dbraw/zinc/25/60/94/396256094.db2.gz NZJUZBWGVDNBQR-ZJUUUORDSA-N 0 1 321.381 0.281 50 0 DCAAMN CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)CCO2)[nH]1 ZINC000078890059 396256097 /nfs/dbraw/zinc/25/60/97/396256097.db2.gz NZJUZBWGVDNBQR-ZJUUUORDSA-N 0 1 321.381 0.281 50 0 DCAAMN CC(C)c1n[nH]c([C@@H]2CN(C(=O)CCn3cncn3)CCO2)n1 ZINC000078889446 396256256 /nfs/dbraw/zinc/25/62/56/396256256.db2.gz PXRBKFRGLKYBBR-NSHDSACASA-N 0 1 319.369 0.510 50 0 DCAAMN CC(C)c1nc([C@@H]2CN(C(=O)CCn3cncn3)CCO2)n[nH]1 ZINC000078889446 396256257 /nfs/dbraw/zinc/25/62/57/396256257.db2.gz PXRBKFRGLKYBBR-NSHDSACASA-N 0 1 319.369 0.510 50 0 DCAAMN CCn1c(=O)[nH]nc1S(=O)(=O)CCNC(=O)C1CCCC1 ZINC000269005549 396380845 /nfs/dbraw/zinc/38/08/45/396380845.db2.gz FRKVASXMNHOEFV-UHFFFAOYSA-N 0 1 316.383 0.084 50 0 DCAAMN Cn1ncc2c1ncnc2NNS(=O)(=O)c1ccccc1 ZINC000000116949 415125069 /nfs/dbraw/zinc/12/50/69/415125069.db2.gz JGXTXUBEKNGJMX-UHFFFAOYSA-N 0 1 304.335 0.669 50 0 DCAAMN COc1ccc(CCN2C(=O)O[C@@H]3C[N@H+](CC(=O)[O-])C[C@@H]32)cc1 ZINC000067725203 415386640 /nfs/dbraw/zinc/38/66/40/415386640.db2.gz JPGVZQIMFLFNFP-UONOGXRCSA-N 0 1 320.345 0.827 50 0 DCAAMN Cc1nc(N(C)C)ncc1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000095359246 415554651 /nfs/dbraw/zinc/55/46/51/415554651.db2.gz KSPBSYSTGLFFAG-UHFFFAOYSA-N 0 1 315.381 0.989 50 0 DCAAMN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@H]1CNCCO1 ZINC000187772768 416263211 /nfs/dbraw/zinc/26/32/11/416263211.db2.gz SWTBPNFXIQIQRL-WCQYABFASA-N 0 1 307.325 0.036 50 0 DCAAMN COCC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000263274679 416337627 /nfs/dbraw/zinc/33/76/27/416337627.db2.gz QCDOSVCVIOMDSG-RBSFLKMASA-N 0 1 313.442 0.323 50 0 DCAAMN COc1ccc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)cn1 ZINC000215082328 416327092 /nfs/dbraw/zinc/32/70/92/416327092.db2.gz RJQXLXBEUWGPTK-UHFFFAOYSA-N 0 1 317.393 0.472 50 0 DCAAMN Cc1ccc(CC(=O)N2C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C2)s1 ZINC000241684892 416330283 /nfs/dbraw/zinc/33/02/83/416330283.db2.gz QGDKZWCDXAVQRS-NWDGAFQWSA-N 0 1 312.391 0.187 50 0 DCAAMN Cc1ccc(CC(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)s1 ZINC000241684892 416330284 /nfs/dbraw/zinc/33/02/84/416330284.db2.gz QGDKZWCDXAVQRS-NWDGAFQWSA-N 0 1 312.391 0.187 50 0 DCAAMN CCOC(=O)C[C@@](C)(NCC(=O)NC(N)=O)c1ccccc1 ZINC000521393964 417006099 /nfs/dbraw/zinc/00/60/99/417006099.db2.gz CMVSLHFNCPXFRR-OAHLLOKOSA-N 0 1 307.350 0.640 50 0 DCAAMN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)CC1=O ZINC000299752435 229396837 /nfs/dbraw/zinc/39/68/37/229396837.db2.gz UDEIRFMPDGCATQ-MEYUZBJRSA-N 0 1 313.401 0.826 50 0 DCAAMN Cc1sc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1S(N)(=O)=O ZINC000153252508 294071805 /nfs/dbraw/zinc/07/18/05/294071805.db2.gz VVUUMIVLDCSKKV-YUMQZZPRSA-N 0 1 317.436 0.526 50 0 DCAAMN Cn1c(CN)nnc1Sc1nc2ccccc2n1CCO ZINC000534662620 334322660 /nfs/dbraw/zinc/32/26/60/334322660.db2.gz HPEUWAPKGSQMHU-UHFFFAOYSA-N 0 1 304.379 0.767 50 0 DCAAMN C[C@@H]1CN(c2ccc(C(=O)N3CCNCC3)cn2)C[C@H](C)O1 ZINC000237659805 525062988 /nfs/dbraw/zinc/06/29/88/525062988.db2.gz XVDDEMITEDWXEH-BETUJISGSA-N 0 1 304.394 0.741 50 0 DCAAMN COc1ccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1 ZINC000218796457 545940061 /nfs/dbraw/zinc/94/00/61/545940061.db2.gz AYOKGFMOFSHAPI-JSGCOSHPSA-N 0 1 306.362 0.901 50 0 DCAAMN Cn1ncnc1CCNC(=O)c1ccc(CN2CCCC2)o1 ZINC000670457957 547097335 /nfs/dbraw/zinc/09/73/35/547097335.db2.gz ZNESUSZAGOCERZ-UHFFFAOYSA-N 0 1 303.366 0.976 50 0 DCAAMN CN(C)[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1n1ccnn1 ZINC000685940068 548746129 /nfs/dbraw/zinc/74/61/29/548746129.db2.gz IXFHVKLKSKHCAZ-OLZOCXBDSA-N 0 1 315.381 0.506 50 0 DCAAMN N[C@H](CO)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000888096305 661173741 /nfs/dbraw/zinc/17/37/41/661173741.db2.gz AIYXETNUWHYIFY-LLVKDONJSA-N 0 1 313.195 0.917 50 0 DCAAMN CN1CCN([C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C[C@H]2O)CC1 ZINC000023360142 658773781 /nfs/dbraw/zinc/77/37/81/658773781.db2.gz SGQARGNRIBRKSC-ZIAGYGMSSA-N 0 1 323.481 0.878 50 0 DCAAMN CC(C)(C(=O)N1CCN(Cc2nnc[n-]2)CC1)[NH+]1CCCC1 ZINC000426730344 661703490 /nfs/dbraw/zinc/70/34/90/661703490.db2.gz GOCKQALXCDDWMN-UHFFFAOYSA-N 0 1 306.414 0.323 50 0 DCAAMN Cc1nc(C)c(S(=O)(=O)N2CC(N[C@@H]3CCOC3)C2)s1 ZINC000952994242 665875505 /nfs/dbraw/zinc/87/55/05/665875505.db2.gz XWMBZZXHHWSQMU-SNVBAGLBSA-N 0 1 317.436 0.511 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)NCc2ccc3nonc3c2)C1 ZINC000952964072 685598512 /nfs/dbraw/zinc/59/85/12/685598512.db2.gz NAIBLXSVQXRPCD-LLVKDONJSA-N 0 1 317.349 0.036 50 0 DCAAMN CO[C@@H](C)C(=O)N1CCC(CNC(=O)CN2CCCC2)CC1 ZINC000952972972 685600057 /nfs/dbraw/zinc/60/00/57/685600057.db2.gz VUZBAWVEVUDVPR-ZDUSSCGKSA-N 0 1 311.426 0.472 50 0 DCAAMN CCN1CCN(C2CN(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000952995464 685603309 /nfs/dbraw/zinc/60/33/09/685603309.db2.gz NGDBBQLOJXYUPR-OKILXGFUSA-N 0 1 310.442 0.537 50 0 DCAAMN C[N@@H+]1CCC[C@]2(CO)CCN(C(=O)c3ccc([O-])cn3)C[C@@H]12 ZINC001704301163 1179965850 /nfs/dbraw/zinc/96/58/50/1179965850.db2.gz NECUUMMIBPCRIA-GDBMZVCRSA-N 0 1 305.378 0.706 50 0 DCAAMN C[N@H+]1CCC[C@]2(CO)CCN(C(=O)c3ccc([O-])cn3)C[C@@H]12 ZINC001704301163 1179965854 /nfs/dbraw/zinc/96/58/54/1179965854.db2.gz NECUUMMIBPCRIA-GDBMZVCRSA-N 0 1 305.378 0.706 50 0 DCAAMN C[N@H+]1CCC[C@]2(C(=O)[O-])CCN(c3cc(C(N)=O)ccn3)C[C@@H]12 ZINC001704301405 1179966041 /nfs/dbraw/zinc/96/60/41/1179966041.db2.gz YDTWSZYEUSCKRC-WBMJQRKESA-N 0 1 318.377 0.556 50 0 DCAAMN CNC(=O)CN1CCC(CNC(=O)c2cncc(C)c2)CC1 ZINC000823824829 758278743 /nfs/dbraw/zinc/27/87/43/758278743.db2.gz XPMCHZKCTMDJQO-UHFFFAOYSA-N 0 1 304.394 0.578 50 0 DCAAMN COc1ccc2c(c1)C=C(C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-])CO2 ZINC000824750804 758783271 /nfs/dbraw/zinc/78/32/71/758783271.db2.gz ACLYNSGQBVCSQM-OCCSQVGLSA-N 0 1 305.330 0.991 50 0 DCAAMN NC(=O)CCC1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000826835073 758848292 /nfs/dbraw/zinc/84/82/92/758848292.db2.gz NWDRVFSHKPGJRA-ZDUSSCGKSA-N 0 1 302.440 0.789 50 0 DCAAMN Cc1cnc(C[NH2+]Cc2cnc(N(C)CC(=O)[O-])nc2)cn1 ZINC000828517573 759025599 /nfs/dbraw/zinc/02/55/99/759025599.db2.gz BFYHVSDGMDJOHL-UHFFFAOYSA-N 0 1 302.338 0.386 50 0 DCAAMN CNC(=O)c1cccnc1NCC1(CN2CCN(C)CC2)CC1 ZINC001529142955 1014504286 /nfs/dbraw/zinc/50/42/86/1014504286.db2.gz ZIZAFZGTEJUWIK-UHFFFAOYSA-N 0 1 317.437 0.881 50 0 DCAAMN Cc1n[nH]c(CCNC(=O)[C@@H](C)n2c3ccccc3oc2=O)n1 ZINC000095389608 185351215 /nfs/dbraw/zinc/35/12/15/185351215.db2.gz LWUXQPHKDMZXMP-SECBINFHSA-N 0 1 315.333 0.941 50 0 DCAAMN Cc1cc(C)n(NC(=O)Cc2n[nH]c(-c3ccncc3)n2)c(=O)c1 ZINC000071748495 191021228 /nfs/dbraw/zinc/02/12/28/191021228.db2.gz YJJIBJDESSHGNK-UHFFFAOYSA-N 0 1 324.344 0.958 50 0 DCAAMN Cc1cc(C)n(NC(=O)Cc2nc(-c3ccncc3)n[nH]2)c(=O)c1 ZINC000071748495 191021231 /nfs/dbraw/zinc/02/12/31/191021231.db2.gz YJJIBJDESSHGNK-UHFFFAOYSA-N 0 1 324.344 0.958 50 0 DCAAMN O=S(=O)([N-]C[C@@H]1C[NH2+]CCOC1)c1ccc(F)c(F)c1F ZINC000072164815 191065553 /nfs/dbraw/zinc/06/55/53/191065553.db2.gz KZEMYZSCIODUSN-QMMMGPOBSA-N 0 1 324.324 0.618 50 0 DCAAMN CN(C)CC(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000072270835 191093818 /nfs/dbraw/zinc/09/38/18/191093818.db2.gz TUHMZUFAJSIQRB-HNNXBMFYSA-N 0 1 321.421 0.132 50 0 DCAAMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)NC[C@@H]3CCCO3)CCO2)n[nH]1 ZINC000076042572 191558760 /nfs/dbraw/zinc/55/87/60/191558760.db2.gz AWYMUUXWRJTBPJ-DRZSPHRISA-N 0 1 323.397 0.170 50 0 DCAAMN COc1ccc(S(=O)(=O)NCCN(C)C)cc1NC(C)=O ZINC000005156585 181211053 /nfs/dbraw/zinc/21/10/53/181211053.db2.gz IAJINBXTHSFRIJ-UHFFFAOYSA-N 0 1 315.395 0.494 50 0 DCAAMN CCOc1ccccc1N1CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC000236953662 202091013 /nfs/dbraw/zinc/09/10/13/202091013.db2.gz UBPIWZSMVBJRQH-INIZCTEOSA-N 0 1 319.405 0.722 50 0 DCAAMN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCNCC1 ZINC000237419509 202260764 /nfs/dbraw/zinc/26/07/64/202260764.db2.gz FHVWVFWHVCVGIU-UHFFFAOYSA-N 0 1 318.420 0.074 50 0 DCAAMN CN(C(=O)[C@H]1CNCCO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000187772075 200154932 /nfs/dbraw/zinc/15/49/32/200154932.db2.gz RJGMXSSXFYCBKW-UONOGXRCSA-N 0 1 321.352 0.378 50 0 DCAAMN O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCNCC1 ZINC000237752394 202346703 /nfs/dbraw/zinc/34/67/03/202346703.db2.gz GJGAPIMSDCWWRD-UHFFFAOYSA-N 0 1 308.769 0.915 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c1Cl ZINC000237816729 202362995 /nfs/dbraw/zinc/36/29/95/202362995.db2.gz BORBISVZKUCMAX-SECBINFHSA-N 0 1 306.819 0.742 50 0 DCAAMN COCCN1CCC[C@]2(CCN(Cc3ncccn3)C2)C1=O ZINC000091350708 193045463 /nfs/dbraw/zinc/04/54/63/193045463.db2.gz SBUTYPSWMBUMEL-MRXNPFEDSA-N 0 1 304.394 0.938 50 0 DCAAMN CCC[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1NC(=O)CO ZINC000091468315 193060183 /nfs/dbraw/zinc/06/01/83/193060183.db2.gz XWXRAJPCZUUOFT-GJZGRUSLSA-N 0 1 320.437 0.857 50 0 DCAAMN COCC[C@]1(CO)CCCN(C(=O)CCc2nc(C)n[nH]2)C1 ZINC000091847772 193116721 /nfs/dbraw/zinc/11/67/21/193116721.db2.gz SXKWPRFUWQMNRF-OAHLLOKOSA-N 0 1 310.398 0.683 50 0 DCAAMN Cc1nc[nH]c1C(=O)N1CCN(C)[C@@]2(C1)CCNC(=O)CC2 ZINC000092022824 193143122 /nfs/dbraw/zinc/14/31/22/193143122.db2.gz UHXCVDLGOJZGPN-OAHLLOKOSA-N 0 1 305.382 0.145 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1[nH]nc2c1COCC2 ZINC000252489329 202847003 /nfs/dbraw/zinc/84/70/03/202847003.db2.gz JOGIGNDDHMCUCN-KBPBESRZSA-N 0 1 320.393 0.466 50 0 DCAAMN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc2c[nH]nc21 ZINC000025028625 182399789 /nfs/dbraw/zinc/39/97/89/182399789.db2.gz BRAMXPUDMUUUME-LLVKDONJSA-N 0 1 316.317 0.067 50 0 DCAAMN O=C(CN(C(=O)c1cccc(F)c1)C1CC1)N1CCNCC1 ZINC000033032514 182690325 /nfs/dbraw/zinc/69/03/25/182690325.db2.gz WSKHIHXGKPZFAB-UHFFFAOYSA-N 0 1 305.353 0.862 50 0 DCAAMN Cc1nc(N(C)C)nc(NCCCN2CCNC(=O)C2)c1C ZINC000065396808 184335832 /nfs/dbraw/zinc/33/58/32/184335832.db2.gz HMZHLGOZCXRSJJ-UHFFFAOYSA-N 0 1 306.414 0.393 50 0 DCAAMN CC[C@H](NCCS(=O)(=O)NC)C(=O)NC1CCCCC1 ZINC000065505699 184356528 /nfs/dbraw/zinc/35/65/28/184356528.db2.gz DKQBILWXEAIURY-LBPRGKRZSA-N 0 1 305.444 0.353 50 0 DCAAMN CNCc1nnc(SCc2nnc(C)[nH]2)n1C[C@@H]1CCCO1 ZINC000426535883 257247145 /nfs/dbraw/zinc/24/71/45/257247145.db2.gz NPFZDNVQYRGVQU-JTQLQIEISA-N 0 1 323.426 0.895 50 0 DCAAMN O=C(NCCc1cn[nH]c1)N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000426403434 257251246 /nfs/dbraw/zinc/25/12/46/257251246.db2.gz BYTSQINILBJYLT-OAHLLOKOSA-N 0 1 321.425 0.440 50 0 DCAAMN COC(=O)CNC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000008325026 395684398 /nfs/dbraw/zinc/68/43/98/395684398.db2.gz KKYPZCUZDUDDIQ-UHFFFAOYSA-N 0 1 324.337 0.992 50 0 DCAAMN CN(Cc1ccccc1F)C(=O)CN1CCC(C(N)=O)CC1 ZINC000008317643 395684472 /nfs/dbraw/zinc/68/44/72/395684472.db2.gz MJYBPKWBCDXVPW-UHFFFAOYSA-N 0 1 307.369 0.981 50 0 DCAAMN Cc1sc2ncn(CC(=O)N3CCNCC3)c(=O)c2c1C ZINC000031946092 395709069 /nfs/dbraw/zinc/70/90/69/395709069.db2.gz NRRPFCNRRFOYKK-UHFFFAOYSA-N 0 1 306.391 0.507 50 0 DCAAMN CC(=O)N1CCC[C@H](C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000084718311 395698936 /nfs/dbraw/zinc/69/89/36/395698936.db2.gz HBFRUXBTZAHDGT-JYJNAYRXSA-N 0 1 323.437 0.303 50 0 DCAAMN C[N@H+]1C[C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@]2(C(=O)[O-])C1 ZINC000096135914 395745593 /nfs/dbraw/zinc/74/55/93/395745593.db2.gz DOVFHECYDDLQOG-ZFWWWQNUSA-N 0 1 324.402 0.465 50 0 DCAAMN CCn1cc(C2CCN(CC(=O)N3CCOCC3)CC2)cn1 ZINC000097203402 395755984 /nfs/dbraw/zinc/75/59/84/395755984.db2.gz GUDXMZYCJUOPGG-UHFFFAOYSA-N 0 1 306.410 0.941 50 0 DCAAMN O=C(N[C@@H]1CN2CCC1CC2)c1coc(CN2CCOCC2)c1 ZINC000097522094 395758544 /nfs/dbraw/zinc/75/85/44/395758544.db2.gz HXBBPSDEOZSMNX-MRXNPFEDSA-N 0 1 319.405 0.936 50 0 DCAAMN CCN1CCC[C@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000048326362 395813419 /nfs/dbraw/zinc/81/34/19/395813419.db2.gz SBNHFUFYZHDHQL-XQQFMLRXSA-N 0 1 305.444 0.414 50 0 DCAAMN CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc[nH]c1)C2 ZINC000219408302 395845699 /nfs/dbraw/zinc/84/56/99/395845699.db2.gz ABHICNDKRRGITL-HNNXBMFYSA-N 0 1 317.393 0.852 50 0 DCAAMN CN(CC(=O)NC[C@H]1CN(C)CCN1C)Cc1ccccc1F ZINC000219566812 395846270 /nfs/dbraw/zinc/84/62/70/395846270.db2.gz BMVXFLLDLSQANM-HNNXBMFYSA-N 0 1 322.428 0.620 50 0 DCAAMN CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1nc(Cl)n[nH]1 ZINC000222257142 395851992 /nfs/dbraw/zinc/85/19/92/395851992.db2.gz CEPFXZJDTCHUAQ-UYZPKGHCSA-N 0 1 313.789 0.224 50 0 DCAAMN Cn1cc([C@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]2C[C@@H](O)C2)cn1 ZINC000223748427 395856684 /nfs/dbraw/zinc/85/66/84/395856684.db2.gz PUIDHVYBVXTJQY-GLXFQSAKSA-N 0 1 315.377 0.874 50 0 DCAAMN CCOC(=O)CN(C)c1ncc(CN[C@H](C)c2nnc[nH]2)cn1 ZINC000055370718 395918210 /nfs/dbraw/zinc/91/82/10/395918210.db2.gz XLTNURCHUVBFSM-SNVBAGLBSA-N 0 1 319.369 0.445 50 0 DCAAMN NC(=O)CN1CCC[C@H](C(=O)NCc2ccc(Cl)nc2)C1 ZINC000055383146 395918285 /nfs/dbraw/zinc/91/82/85/395918285.db2.gz UMYWZEYCYAJIFY-NSHDSACASA-N 0 1 310.785 0.549 50 0 DCAAMN C[C@@H]1CN(C(=O)NC[C@H]2CN(C)CCN2C)C[C@H](C)S1 ZINC000229343553 395873758 /nfs/dbraw/zinc/87/37/58/395873758.db2.gz COGPWVPAVZTIRY-XQQFMLRXSA-N 0 1 300.472 0.768 50 0 DCAAMN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000246837207 395958831 /nfs/dbraw/zinc/95/88/31/395958831.db2.gz CXARFAHOHLXJRA-AAEUAGOBSA-N 0 1 323.418 0.643 50 0 DCAAMN Cn1c(CN2CCN(C)c3ccccc3C2)cc(=O)n(C)c1=O ZINC000065530911 395993915 /nfs/dbraw/zinc/99/39/15/395993915.db2.gz QBWPUDPZTIYARN-UHFFFAOYSA-N 0 1 314.389 0.536 50 0 DCAAMN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1nccn1C ZINC000252672436 396024310 /nfs/dbraw/zinc/02/43/10/396024310.db2.gz QCSLQIRTUHZUKY-LSDHHAIUSA-N 0 1 307.442 0.257 50 0 DCAAMN C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)S(C)(=O)=O)C[C@H](C)N1 ZINC000153437946 396025007 /nfs/dbraw/zinc/02/50/07/396025007.db2.gz IOQNARWKYQEWQI-VNHYZAJKSA-N 0 1 324.446 0.851 50 0 DCAAMN Cc1cnccc1CN1CCN(c2cc(=O)[nH]c(N)n2)CC1 ZINC000253536425 396029800 /nfs/dbraw/zinc/02/98/00/396029800.db2.gz QHPWSBRKRHXCJJ-UHFFFAOYSA-N 0 1 300.366 0.790 50 0 DCAAMN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@@H+]1CCCNC(=O)C1)C2 ZINC000067674073 396030879 /nfs/dbraw/zinc/03/08/79/396030879.db2.gz SRXNWLPNQURBDH-SNVBAGLBSA-N 0 1 306.366 0.280 50 0 DCAAMN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+]1CCCNC(=O)C1)C2 ZINC000067674073 396030882 /nfs/dbraw/zinc/03/08/82/396030882.db2.gz SRXNWLPNQURBDH-SNVBAGLBSA-N 0 1 306.366 0.280 50 0 DCAAMN COCCN1CCC[C@@](O)(CNCc2c(C)noc2C)C1=O ZINC000067841547 396036341 /nfs/dbraw/zinc/03/63/41/396036341.db2.gz MBCSUZSDOIIXFZ-OAHLLOKOSA-N 0 1 311.382 0.381 50 0 DCAAMN CCCOCC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000066342673 396005802 /nfs/dbraw/zinc/00/58/02/396005802.db2.gz XHLGZYPYGSCOJS-UHFFFAOYSA-N 0 1 306.410 0.876 50 0 DCAAMN CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000249703435 396011543 /nfs/dbraw/zinc/01/15/43/396011543.db2.gz ZXJQMAQVELKZHL-MGPQQGTHSA-N 0 1 314.451 0.896 50 0 DCAAMN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870584 396092690 /nfs/dbraw/zinc/09/26/90/396092690.db2.gz LVUPGCRSRHRDQM-NEPJUHHUSA-N 0 1 318.377 0.921 50 0 DCAAMN CCCc1noc(CCC(=O)N2CCN(CC(C)(C)O)CC2)n1 ZINC000069876354 396093662 /nfs/dbraw/zinc/09/36/62/396093662.db2.gz QPAGCTYRBPTNLB-UHFFFAOYSA-N 0 1 324.425 0.870 50 0 DCAAMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCCS(C)(=O)=O ZINC000069924126 396095469 /nfs/dbraw/zinc/09/54/69/396095469.db2.gz JSTBYRSMTWHRHU-KGLIPLIRSA-N 0 1 302.440 0.896 50 0 DCAAMN COc1ccnc(N2CCN(C(=O)Cc3cnn(C)c3)CC2)c1 ZINC000171564651 396119063 /nfs/dbraw/zinc/11/90/63/396119063.db2.gz LTGQCDORZOGPHQ-UHFFFAOYSA-N 0 1 315.377 0.715 50 0 DCAAMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2)C1 ZINC000071920361 396125702 /nfs/dbraw/zinc/12/57/02/396125702.db2.gz ZMVXJITVWZGGBJ-CQSZACIVSA-N 0 1 305.378 0.770 50 0 DCAAMN Cc1nnc(COC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)o1 ZINC000069419841 396078140 /nfs/dbraw/zinc/07/81/40/396078140.db2.gz RMCCAQCIWDUDAM-UHFFFAOYSA-N 0 1 317.305 0.617 50 0 DCAAMN CCN1CCN(C2CCN(CCN3CCCC3=O)CC2)C1=O ZINC000069536238 396082627 /nfs/dbraw/zinc/08/26/27/396082627.db2.gz MUJFYEIMRNFYNO-UHFFFAOYSA-N 0 1 308.426 0.831 50 0 DCAAMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cnn[nH]1 ZINC000076018833 396191856 /nfs/dbraw/zinc/19/18/56/396191856.db2.gz ZMRUMMHYLHCHRG-SNVBAGLBSA-N 0 1 305.725 0.993 50 0 DCAAMN Cc1nc([C@@H]2CN(CC(=O)NCc3cccs3)CCO2)n[nH]1 ZINC000076049003 396194278 /nfs/dbraw/zinc/19/42/78/396194278.db2.gz NOSQMUMAKXNJIE-LBPRGKRZSA-N 0 1 321.406 0.864 50 0 DCAAMN CCn1nc(C)c(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2C)c1C ZINC000076058225 396195169 /nfs/dbraw/zinc/19/51/69/396195169.db2.gz ZJCVWROAHABVOS-CABZTGNLSA-N 0 1 300.428 0.748 50 0 DCAAMN O=C([O-])c1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000263111019 396202082 /nfs/dbraw/zinc/20/20/82/396202082.db2.gz BBJCWCHAGSGDKT-UHFFFAOYSA-N 0 1 317.389 0.781 50 0 DCAAMN COCCN1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000078602752 396249368 /nfs/dbraw/zinc/24/93/68/396249368.db2.gz FFNWAGVGKLJCLW-CYBMUJFWSA-N 0 1 306.366 0.247 50 0 DCAAMN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nn[nH]n1 ZINC000183441289 396269887 /nfs/dbraw/zinc/26/98/87/396269887.db2.gz AVIZVCPGVVQAAS-GHMZBOCLSA-N 0 1 320.397 0.553 50 0 DCAAMN CCN1CCN(CC(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000081401019 396300166 /nfs/dbraw/zinc/30/01/66/396300166.db2.gz PYXRMBJPPQLIJH-UHFFFAOYSA-N 0 1 318.421 0.769 50 0 DCAAMN O=C(C[C@H]1COCCN1)Nc1nncn1Cc1ccccc1 ZINC000581248934 396537841 /nfs/dbraw/zinc/53/78/41/396537841.db2.gz JYYDQISFZKYHFG-ZDUSSCGKSA-N 0 1 301.350 0.643 50 0 DCAAMN CCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1C ZINC000584887136 396632088 /nfs/dbraw/zinc/63/20/88/396632088.db2.gz JUOSVHWMUOPXOB-KBPBESRZSA-N 0 1 306.410 0.952 50 0 DCAAMN C[C@@H](O)[C@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140258 396641488 /nfs/dbraw/zinc/64/14/88/396641488.db2.gz AXWAMOGQHHUWOQ-UKRRQHHQSA-N 0 1 308.378 0.935 50 0 DCAAMN C[C@@H](O)[C@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000585140258 396641489 /nfs/dbraw/zinc/64/14/89/396641489.db2.gz AXWAMOGQHHUWOQ-UKRRQHHQSA-N 0 1 308.378 0.935 50 0 DCAAMN CCN1CCN(c2nc3nonc3nc2N2CCCC2)CC1 ZINC000011874247 415151305 /nfs/dbraw/zinc/15/13/05/415151305.db2.gz FVHAQNXVRRAAML-UHFFFAOYSA-N 0 1 303.370 0.755 50 0 DCAAMN C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870589 415405778 /nfs/dbraw/zinc/40/57/78/415405778.db2.gz LVUPGCRSRHRDQM-VXGBXAGGSA-N 0 1 318.377 0.921 50 0 DCAAMN CN1CCN(c2nc3c(cc2C(N)=O)CCC3)C[C@@H]1CCO ZINC000072408636 415412356 /nfs/dbraw/zinc/41/23/56/415412356.db2.gz LJQGVRTXVYHGSL-LBPRGKRZSA-N 0 1 304.394 0.172 50 0 DCAAMN COc1ccc(OC)c(CC(=O)N2CC[N@@H+](C)[C@H](C(=O)[O-])C2)c1 ZINC000067689154 415383823 /nfs/dbraw/zinc/38/38/23/415383823.db2.gz GEOAKFVBNONMCB-ZDUSSCGKSA-N 0 1 322.361 0.474 50 0 DCAAMN CC(C)C[C@@H]1COCCN1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000079306080 415469267 /nfs/dbraw/zinc/46/92/67/415469267.db2.gz PVHYDBLAXPSOOG-HUUCEWRRSA-N 0 1 312.458 0.689 50 0 DCAAMN Cc1ccccc1[C@@H](C(=O)NCCc1n[nH]c(=O)[n-]1)[NH+](C)C ZINC000095371054 415552775 /nfs/dbraw/zinc/55/27/75/415552775.db2.gz VUHFSFWCHNUMGS-ZDUSSCGKSA-N 0 1 303.366 0.368 50 0 DCAAMN Cc1cccc2nc(CCNC(=O)CN3CCC(O)CC3)[nH]c21 ZINC000299792321 416069584 /nfs/dbraw/zinc/06/95/84/416069584.db2.gz FNEDOJFMEFIGHE-UHFFFAOYSA-N 0 1 316.405 0.987 50 0 DCAAMN NS(=O)(=O)C[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000299797237 416071212 /nfs/dbraw/zinc/07/12/12/416071212.db2.gz NCAUSEDOYGGTKK-VIFPVBQESA-N 0 1 308.363 0.314 50 0 DCAAMN O=C(NCc1cccnc1OCC(F)(F)F)[C@H]1CNCCO1 ZINC000188065209 416262388 /nfs/dbraw/zinc/26/23/88/416262388.db2.gz YNOCFAQTIFEOJD-SNVBAGLBSA-N 0 1 319.283 0.627 50 0 DCAAMN CN(CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000241135469 416329907 /nfs/dbraw/zinc/32/99/07/416329907.db2.gz JPNYSYGHSKQWEQ-CTHBEMJXSA-N 0 1 323.437 0.517 50 0 DCAAMN Cc1nc([C@@H]2CCCN2S(=O)(=O)CCN2CCCC2)no1 ZINC000242147527 416330416 /nfs/dbraw/zinc/33/04/16/416330416.db2.gz WSKZFNKVHLPACM-LBPRGKRZSA-N 0 1 314.411 0.941 50 0 DCAAMN CCCn1ccnc1CNC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O ZINC000244659780 416330931 /nfs/dbraw/zinc/33/09/31/416330931.db2.gz HIOZQDAZLNOGHS-ZDUSSCGKSA-N 0 1 318.381 0.380 50 0 DCAAMN COC(=O)CN1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000411563265 262173587 /nfs/dbraw/zinc/17/35/87/262173587.db2.gz QJMJKBDNQPYMFK-UHFFFAOYSA-N 0 1 323.368 0.945 50 0 DCAAMN NC(=O)c1nc(CNC2CCN(Cc3ccco3)CC2)no1 ZINC000534580804 334289193 /nfs/dbraw/zinc/28/91/93/334289193.db2.gz YSEBZUMKJVHCRV-UHFFFAOYSA-N 0 1 305.338 0.516 50 0 DCAAMN CCn1ncc(CN[C@@H](C)CNS(=O)(=O)C2CC2)c1C ZINC000534649222 334316780 /nfs/dbraw/zinc/31/67/80/334316780.db2.gz XAENYGMLOUQVFJ-JTQLQIEISA-N 0 1 300.428 0.771 50 0 DCAAMN CC(C)Cc1cc(CN2CCN3CCN(C)C(=O)[C@H]3C2)n[nH]1 ZINC000244601966 528642854 /nfs/dbraw/zinc/64/28/54/528642854.db2.gz DVEYLTYNUJMOQS-OAHLLOKOSA-N 0 1 305.426 0.566 50 0 DCAAMN CN(Cc1cnc(N(C)CC(=O)[O-])nc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000215898760 545938352 /nfs/dbraw/zinc/93/83/52/545938352.db2.gz DRCMYRUMLGYTSR-CYBMUJFWSA-N 0 1 321.425 0.771 50 0 DCAAMN CCn1cc(S(=O)(=O)NCCCN2CCC[C@@H](O)C2)cn1 ZINC000670469338 547100303 /nfs/dbraw/zinc/10/03/03/547100303.db2.gz SENASGSAFXTVQA-GFCCVEGCSA-N 0 1 316.427 0.028 50 0 DCAAMN CCN(CC(OC)OC)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000952994754 665872623 /nfs/dbraw/zinc/87/26/23/665872623.db2.gz UUNKPJWVTADXMZ-UHFFFAOYSA-N 0 1 314.304 0.911 50 0 DCAAMN O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCc2n[nH]cc2C1 ZINC000012316510 666349280 /nfs/dbraw/zinc/34/92/80/666349280.db2.gz KJBBLGVBUZVRKZ-MRXNPFEDSA-N 0 1 304.394 0.531 50 0 DCAAMN COc1cccc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c1O ZINC000863947753 667196233 /nfs/dbraw/zinc/19/62/33/667196233.db2.gz DZSUJIGRKFYXPM-DGCLKSJQSA-N 0 1 307.394 0.765 50 0 DCAAMN Cc1nc(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)sc1C ZINC000952972205 685600237 /nfs/dbraw/zinc/60/02/37/685600237.db2.gz ZWBWNRRNBZCOST-LLVKDONJSA-N 0 1 310.423 0.573 50 0 DCAAMN CCN1CCN(CC(=O)N(C)[C@@H](COC)c2ccccn2)CC1 ZINC000952977085 685601040 /nfs/dbraw/zinc/60/10/40/685601040.db2.gz OJIBKAYOPSZYGS-INIZCTEOSA-N 0 1 320.437 0.865 50 0 DCAAMN CN(C)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cn[nH]c1 ZINC000952984681 685601786 /nfs/dbraw/zinc/60/17/86/685601786.db2.gz LYFZHSPVXATSEF-NSHDSACASA-N 0 1 302.400 0.141 50 0 DCAAMN COc1nc(N2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)ncc1F ZINC001704300558 1179966861 /nfs/dbraw/zinc/96/68/61/1179966861.db2.gz YUVBLEVFGKBGCU-BXKDBHETSA-N 0 1 307.329 0.696 50 0 DCAAMN Cc1cc(C[C@@H]2CN(c3nc(C)ccc3C(N)=O)C[C@H]2O)[nH]n1 ZINC001704345490 1179980242 /nfs/dbraw/zinc/98/02/42/1179980242.db2.gz XYNMOXQWHHGMFU-BXUZGUMPSA-N 0 1 315.377 0.560 50 0 DCAAMN Cc1cnc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cn1 ZINC001704345293 1179980630 /nfs/dbraw/zinc/98/06/30/1179980630.db2.gz WPCJTBCLWIFKDI-GDBMZVCRSA-N 0 1 304.394 0.704 50 0 DCAAMN O=C(CN1CCCC1)N1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC000827928174 758901435 /nfs/dbraw/zinc/90/14/35/758901435.db2.gz CADSFQAMHGQHCQ-CYBMUJFWSA-N 0 1 320.393 0.739 50 0 DCAAMN O=C(CN1CCCC1)NC[C@@H]1CCCN(c2cnsn2)C1 ZINC000952868825 768924594 /nfs/dbraw/zinc/92/45/94/768924594.db2.gz BCSBFFOISZJJNW-LBPRGKRZSA-N 0 1 309.439 0.967 50 0 DCAAMN O=C(NCc1cc2n(n1)CCNC2)c1ccc2nccnc2c1 ZINC000082120321 192358617 /nfs/dbraw/zinc/35/86/17/192358617.db2.gz PMXRDVDTXQMOGC-UHFFFAOYSA-N 0 1 308.345 0.860 50 0 DCAAMN Cc1cnc(CN2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cn1 ZINC000095402715 185354944 /nfs/dbraw/zinc/35/49/44/185354944.db2.gz HKFYXZIWBNHMHQ-NSHDSACASA-N 0 1 300.366 0.987 50 0 DCAAMN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)c1C ZINC000095454408 185369780 /nfs/dbraw/zinc/36/97/80/185369780.db2.gz SQURZIBLFDBKHR-SECBINFHSA-N 0 1 324.362 0.939 50 0 DCAAMN O=C(NCCc1csc(-c2cccnc2)n1)[C@@H]1CNCCO1 ZINC000071738560 191019794 /nfs/dbraw/zinc/01/97/94/191019794.db2.gz AWHDPKPRPFXEIZ-ZDUSSCGKSA-N 0 1 318.402 0.852 50 0 DCAAMN Cc1nnc(SCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)[nH]1 ZINC000072127277 191042899 /nfs/dbraw/zinc/04/28/99/191042899.db2.gz NOQVQDKGPFHXDG-GFCCVEGCSA-N 0 1 311.367 0.306 50 0 DCAAMN Cc1n[nH]c(SCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)n1 ZINC000072127277 191042902 /nfs/dbraw/zinc/04/29/02/191042902.db2.gz NOQVQDKGPFHXDG-GFCCVEGCSA-N 0 1 311.367 0.306 50 0 DCAAMN Cc1nc(CNC(=O)C[C@H]2COCCN2)nc2c1CCCC2 ZINC000072167829 191066010 /nfs/dbraw/zinc/06/60/10/191066010.db2.gz XSBLOVNAKKTURM-LBPRGKRZSA-N 0 1 304.394 0.659 50 0 DCAAMN CN1CCN(c2ccccc2NC(=O)NCC[S@](C)=O)CC1 ZINC000072287573 191105721 /nfs/dbraw/zinc/10/57/21/191105721.db2.gz BHHJNBCYGGACOX-JOCHJYFZSA-N 0 1 324.450 0.938 50 0 DCAAMN CN1C[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)NC1=O ZINC000072429479 191162487 /nfs/dbraw/zinc/16/24/87/191162487.db2.gz AFODDXSBCDKZON-CYBMUJFWSA-N 0 1 322.434 0.806 50 0 DCAAMN O=C(C[C@@H]1COCCN1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072431660 191164302 /nfs/dbraw/zinc/16/43/02/191164302.db2.gz MIPGNEGUKNCOFB-MRXNPFEDSA-N 0 1 321.396 0.848 50 0 DCAAMN Cc1nc[nH]c1C(=O)N1CCC(C(=O)[O-])(n2cc[nH+]c2C)CC1 ZINC000072448515 191170405 /nfs/dbraw/zinc/17/04/05/191170405.db2.gz QQORFCYNZULMHJ-UHFFFAOYSA-N 0 1 317.349 0.939 50 0 DCAAMN O=C(NCCCn1nccc1C1CC1)[C@@H]1NCCc2[nH]cnc21 ZINC000072462582 191172552 /nfs/dbraw/zinc/17/25/52/191172552.db2.gz AAGPYKCEVBBIJD-OAHLLOKOSA-N 0 1 314.393 0.877 50 0 DCAAMN Cc1cccc(CN2CCN(C(=O)[C@H]3CNCCO3)CC2)c1 ZINC000072478529 191179106 /nfs/dbraw/zinc/17/91/06/191179106.db2.gz HROIZGMLLDFDQJ-MRXNPFEDSA-N 0 1 303.406 0.628 50 0 DCAAMN CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NC1CC1 ZINC000005575159 181258977 /nfs/dbraw/zinc/25/89/77/181258977.db2.gz MRCUQXPJUVXDAT-UHFFFAOYSA-N 0 1 312.347 0.494 50 0 DCAAMN Cn1cncc1CNC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000237933306 202395218 /nfs/dbraw/zinc/39/52/18/202395218.db2.gz HAFJTFMHODVIBD-KRWDZBQOSA-N 0 1 300.406 0.929 50 0 DCAAMN NC(=O)C1CCN(CC(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000091713410 193096455 /nfs/dbraw/zinc/09/64/55/193096455.db2.gz LNBJXRRKMJIOIE-OAHLLOKOSA-N 0 1 316.405 0.942 50 0 DCAAMN O=C(NCCc1cnc[nH]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000091754794 193102184 /nfs/dbraw/zinc/10/21/84/193102184.db2.gz RJQLYWVTVNCOJT-LBPRGKRZSA-N 0 1 313.361 0.512 50 0 DCAAMN Cc1nc(CN2CCC[C@H](Cn3cc(CCO)nn3)C2)c[nH]1 ZINC000019810479 182152500 /nfs/dbraw/zinc/15/25/00/182152500.db2.gz BRKTUUOCUCOGGH-ZDUSSCGKSA-N 0 1 304.398 0.757 50 0 DCAAMN CNC(=O)CCNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000063778751 184288753 /nfs/dbraw/zinc/28/87/53/184288753.db2.gz JGSSMKUYIYXIKX-UHFFFAOYSA-N 0 1 306.347 0.864 50 0 DCAAMN CCOc1ccccc1NC(=O)CC(=O)N[C@H](C)c1nn[nH]n1 ZINC000065383191 184332472 /nfs/dbraw/zinc/33/24/72/184332472.db2.gz AOLKUJNITJECTN-SECBINFHSA-N 0 1 318.337 0.804 50 0 DCAAMN Cc1ccc2[nH]c(=O)cc(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)c2c1 ZINC000065451133 184346485 /nfs/dbraw/zinc/34/64/85/184346485.db2.gz UMWWGJVWSJIGJE-NEPJUHHUSA-N 0 1 315.373 0.631 50 0 DCAAMN Cc1ncc(C[N@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)[nH]1 ZINC000065491646 184353757 /nfs/dbraw/zinc/35/37/57/184353757.db2.gz SSLNLKKCALIFEW-MLGOLLRUSA-N 0 1 318.377 0.473 50 0 DCAAMN Cc1nc(C[N@@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)c[nH]1 ZINC000065491646 184353758 /nfs/dbraw/zinc/35/37/58/184353758.db2.gz SSLNLKKCALIFEW-MLGOLLRUSA-N 0 1 318.377 0.473 50 0 DCAAMN Cc1nc(C[N@H+]2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)c[nH]1 ZINC000065491646 184353760 /nfs/dbraw/zinc/35/37/60/184353760.db2.gz SSLNLKKCALIFEW-MLGOLLRUSA-N 0 1 318.377 0.473 50 0 DCAAMN Cc1ccc2nc(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000340879191 253317223 /nfs/dbraw/zinc/31/72/23/253317223.db2.gz QOUPERMLXUJWPU-SNVBAGLBSA-N 0 1 322.390 0.858 50 0 DCAAMN CNCc1nnc(SCC[C@H]2CCS(=O)(=O)C2)n1C ZINC000426719949 257243884 /nfs/dbraw/zinc/24/38/84/257243884.db2.gz OLEPJKYKQLSKBU-VIFPVBQESA-N 0 1 304.441 0.451 50 0 DCAAMN CS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426578545 257245733 /nfs/dbraw/zinc/24/57/33/257245733.db2.gz FWMDWFNZBLPVLJ-LLVKDONJSA-N 0 1 315.395 0.192 50 0 DCAAMN CS(=O)(=O)CC[N@H+]1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426578545 257245735 /nfs/dbraw/zinc/24/57/35/257245735.db2.gz FWMDWFNZBLPVLJ-LLVKDONJSA-N 0 1 315.395 0.192 50 0 DCAAMN Cn1c(=O)c(-c2cc[nH]n2)nn(-c2ccc(F)cc2F)c1=O ZINC000001383300 395680747 /nfs/dbraw/zinc/68/07/47/395680747.db2.gz LSTUIWUQHUMFKX-UHFFFAOYSA-N 0 1 305.244 0.600 50 0 DCAAMN COCCNC(=O)c1[nH]cnc1C(=O)NCc1ccccc1 ZINC000033003633 395715604 /nfs/dbraw/zinc/71/56/04/395715604.db2.gz JNWAEAIKBCLLNS-UHFFFAOYSA-N 0 1 302.334 0.716 50 0 DCAAMN C[C@H](O)CNc1nc(N2CCOCC2)c(C(C)(C)C(=O)[O-])c[nH+]1 ZINC000096149928 395746020 /nfs/dbraw/zinc/74/60/20/395746020.db2.gz FGCWMWXGPCASKJ-JTQLQIEISA-N 0 1 324.381 0.468 50 0 DCAAMN CN(CCNC(=O)c1ccccc1-c1nnc[nH]1)S(C)(=O)=O ZINC000097475506 395758113 /nfs/dbraw/zinc/75/81/13/395758113.db2.gz QTHFDAUBHHWJGQ-UHFFFAOYSA-N 0 1 323.378 0.093 50 0 DCAAMN CN1CCN(C)[C@@H](Cc2nc(-c3ccncc3)nn2CCO)C1 ZINC000108412474 395788535 /nfs/dbraw/zinc/78/85/35/395788535.db2.gz QHOMALBTHKUVHW-AWEZNQCLSA-N 0 1 316.409 0.121 50 0 DCAAMN CN1CCN(C(=O)CN2CCc3ccccc3C2)C[C@@H](O)C1 ZINC000097743624 395760414 /nfs/dbraw/zinc/76/04/14/395760414.db2.gz SRHIDPVQSDIGNZ-INIZCTEOSA-N 0 1 303.406 0.180 50 0 DCAAMN COCc1cc(CNC(=O)[C@H](O)c2ccc(OC)cc2)n[nH]1 ZINC000219073107 395844719 /nfs/dbraw/zinc/84/47/19/395844719.db2.gz RPKTWXDTAQWVLG-CQSZACIVSA-N 0 1 305.334 0.915 50 0 DCAAMN Cc1nnnn1CCC(=O)N(C)Cc1ccc2c(c1)CN(C)C2 ZINC000220205542 395847907 /nfs/dbraw/zinc/84/79/07/395847907.db2.gz 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/nfs/dbraw/zinc/02/39/74/396023974.db2.gz HBFRUXBTZAHDGT-HRCADAONSA-N 0 1 323.437 0.303 50 0 DCAAMN CCc1noc([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)n1 ZINC000252667878 396024066 /nfs/dbraw/zinc/02/40/66/396024066.db2.gz DMSIATKIKNVOSM-VWYCJHECSA-N 0 1 316.427 0.953 50 0 DCAAMN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000169785272 396092662 /nfs/dbraw/zinc/09/26/62/396092662.db2.gz KWXVEEJMODNQFY-SECBINFHSA-N 0 1 311.342 0.907 50 0 DCAAMN C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)NC(=O)Nc1ccccc1 ZINC000069870587 396093022 /nfs/dbraw/zinc/09/30/22/396093022.db2.gz LVUPGCRSRHRDQM-RYUDHWBXSA-N 0 1 318.377 0.921 50 0 DCAAMN C[NH+]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000170091469 396094472 /nfs/dbraw/zinc/09/44/72/396094472.db2.gz IFVPQKMEVUAUCM-CQSZACIVSA-N 0 1 316.361 0.480 50 0 DCAAMN COc1ccc(OC)c([C@H](O)CN2CCN(C[C@H](C)O)CC2)c1 ZINC000071877154 396121707 /nfs/dbraw/zinc/12/17/07/396121707.db2.gz ZYSORTXSVMNVFV-XJKSGUPXSA-N 0 1 324.421 0.736 50 0 DCAAMN 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XRVBHWAAJNRIQK-APPZFPTMSA-N 0 1 322.287 0.980 50 0 DCAAMN C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000076058307 396194680 /nfs/dbraw/zinc/19/46/80/396194680.db2.gz XDESDXJMZMBZCT-YGRLFVJLSA-N 0 1 323.418 0.201 50 0 DCAAMN CCS(=O)(=O)CC(=O)N1CCC[C@]2(CCCN(C)C2)C1 ZINC000584898983 396636399 /nfs/dbraw/zinc/63/63/99/396636399.db2.gz VYKXXIHGDJPOBX-AWEZNQCLSA-N 0 1 302.440 0.756 50 0 DCAAMN COc1ccnc(C(=O)N2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000584900727 396636519 /nfs/dbraw/zinc/63/65/19/396636519.db2.gz IUWNUUNGJDPSCK-UHFFFAOYSA-N 0 1 302.338 0.166 50 0 DCAAMN O=C(NCc1cn(-c2ccccc2CO)nn1)C(F)(F)F ZINC000585141890 396642256 /nfs/dbraw/zinc/64/22/56/396642256.db2.gz HKKOLVTVVHWIFW-UHFFFAOYSA-N 0 1 300.240 0.938 50 0 DCAAMN CNC(=O)c1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1 ZINC000330501710 159181537 /nfs/dbraw/zinc/18/15/37/159181537.db2.gz AUPRILPIKHRTOR-UHFFFAOYSA-N 0 1 311.407 0.299 50 0 DCAAMN CC(C)[C@@H](C)NC(=O)C1CCN([C@H](C)C(=O)NC(N)=O)CC1 ZINC000058296614 415341922 /nfs/dbraw/zinc/34/19/22/415341922.db2.gz UECYOFMJUMCZHC-GHMZBOCLSA-N 0 1 312.414 0.443 50 0 DCAAMN CC(=O)N1CCC2(C[C@@H](C(=O)[O-])[N@@H+](Cc3ncc[nH]3)C2)CC1 ZINC000072426572 415413543 /nfs/dbraw/zinc/41/35/43/415413543.db2.gz RAQCQHJIFOCROI-LBPRGKRZSA-N 0 1 306.366 0.697 50 0 DCAAMN Cn1nnc2cc(C(=O)NCCN3CCCC[C@H]3CO)ccc21 ZINC000067789841 415387042 /nfs/dbraw/zinc/38/70/42/415387042.db2.gz CSMOBYFNSWCQKZ-ZDUSSCGKSA-N 0 1 317.393 0.545 50 0 DCAAMN Cc1nnc(SCCNC(=O)CN2CCCCCC2=O)[nH]1 ZINC000299774939 416065457 /nfs/dbraw/zinc/06/54/57/416065457.db2.gz JYARQLGOCGZIPI-UHFFFAOYSA-N 0 1 311.411 0.724 50 0 DCAAMN Cc1cc(C)nc(S[C@H](C)C(=O)NCCc2nn[nH]n2)n1 ZINC000299768976 416066117 /nfs/dbraw/zinc/06/61/17/416066117.db2.gz KQFSRLWEGWKBPR-SECBINFHSA-N 0 1 307.383 0.446 50 0 DCAAMN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCNCC2 ZINC000299771759 416066332 /nfs/dbraw/zinc/06/63/32/416066332.db2.gz WTKHIKUVWAEBON-UHFFFAOYSA-N 0 1 307.394 0.779 50 0 DCAAMN CC(C)n1cnnc1CCNC(=O)[C@H](C)CN1CCOCC1 ZINC000299780293 416068288 /nfs/dbraw/zinc/06/82/88/416068288.db2.gz JFAOAGVMSIQPEJ-CYBMUJFWSA-N 0 1 309.414 0.486 50 0 DCAAMN C[C@H](CNC(=O)N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1C ZINC000242273821 416330237 /nfs/dbraw/zinc/33/02/37/416330237.db2.gz YGBVPAKDEUUOHY-UPJWGTAASA-N 0 1 317.455 0.736 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1n[nH]c2c1CCCC2 ZINC000244828669 416331165 /nfs/dbraw/zinc/33/11/65/416331165.db2.gz UAJVDMIUMUPUKF-KBPBESRZSA-N 0 1 304.394 0.882 50 0 DCAAMN CNc1cc(C(=O)NCC2(CN3CCN(C)CC3)CC2)ccn1 ZINC000097295036 277302012 /nfs/dbraw/zinc/30/20/12/277302012.db2.gz CQEYELUPDJEBOB-UHFFFAOYSA-N 0 1 317.437 0.881 50 0 DCAAMN CCN1C[C@@H](NC(=O)N(C)Cc2n[nH]c3c2CCC3)CC1=O ZINC000534646432 334305849 /nfs/dbraw/zinc/30/58/49/334305849.db2.gz PDZFDMVYRNOKIQ-JTQLQIEISA-N 0 1 305.382 0.661 50 0 DCAAMN C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C[C@H](C)N1 ZINC000153866753 533878147 /nfs/dbraw/zinc/87/81/47/533878147.db2.gz CFCGMVJDKUCXJV-IUCAKERBSA-N 0 1 302.334 0.039 50 0 DCAAMN CC(=O)N1CCCN([C@@H]2CN(Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000084286718 545699961 /nfs/dbraw/zinc/69/99/61/545699961.db2.gz VWIVQZBCUUJMHO-SWLSCSKDSA-N 0 1 321.425 0.753 50 0 DCAAMN O=C(Cc1cnc[nH]1)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000222273235 563724592 /nfs/dbraw/zinc/72/45/92/563724592.db2.gz XHXWJJLIWUQUIO-HUUCEWRRSA-N 0 1 316.361 0.838 50 0 DCAAMN Cc1nn(C)c2nc(-c3cccnc3)nc(NCc3nn[nH]n3)c12 ZINC000072435661 658747915 /nfs/dbraw/zinc/74/79/15/658747915.db2.gz PFGJZCYLOLZVLE-UHFFFAOYSA-N 0 1 322.336 0.859 50 0 DCAAMN O=C(Cn1ccccc1=O)N[C@H]1COC[C@@H]1N1CCCCC1 ZINC000426362072 661558665 /nfs/dbraw/zinc/55/86/65/661558665.db2.gz QUQOYAJYIYNCFK-KBPBESRZSA-N 0 1 305.378 0.218 50 0 DCAAMN CC(=O)NCc1cc2n(n1)CCN(CCc1nccn1C)C2 ZINC000426412164 661578779 /nfs/dbraw/zinc/57/87/79/661578779.db2.gz GANPDCBOJOIAGX-UHFFFAOYSA-N 0 1 302.382 0.311 50 0 DCAAMN Cc1cc(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)cc(C)n1 ZINC000952964751 685597939 /nfs/dbraw/zinc/59/79/39/685597939.db2.gz QFYPUTWKZLCARA-CQSZACIVSA-N 0 1 304.394 0.512 50 0 DCAAMN CCC[NH+]1CCC(CC(=O)N2CCN(C)[C@@H](C(=O)[O-])C2)CC1 ZINC000067672931 685069694 /nfs/dbraw/zinc/06/96/94/685069694.db2.gz LQQHGYQUBPTLLY-CQSZACIVSA-N 0 1 311.426 0.726 50 0 DCAAMN CC(C)c1cc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)no1 ZINC000082107228 685083507 /nfs/dbraw/zinc/08/35/07/685083507.db2.gz UEHLJPKEXLSLAD-LLVKDONJSA-N 0 1 308.382 0.725 50 0 DCAAMN CC(C)[C@@H]1CN(C(=O)CN2CCC[N@@H+](C)CC2)C[C@H]1C(=O)[O-] ZINC000091713601 685105668 /nfs/dbraw/zinc/10/56/68/685105668.db2.gz JIEPRDAEVDBPLW-UONOGXRCSA-N 0 1 311.426 0.439 50 0 DCAAMN O=C(C[N@H+]1C[C@@H]2COCC[C@]2(C(=O)[O-])C1)NC1CCCCC1 ZINC001772710109 1157847796 /nfs/dbraw/zinc/84/77/96/1157847796.db2.gz VLAOWRNLKJGJGN-WBMJQRKESA-N 0 1 310.394 0.858 50 0 DCAAMN C[N@H+]1CCC[C@]2(C(=O)[O-])CCN(c3cc(CO)ccn3)C[C@@H]12 ZINC001704300428 1179966832 /nfs/dbraw/zinc/96/68/32/1179966832.db2.gz VQEYKQULJDYSGM-CJNGLKHVSA-N 0 1 305.378 0.949 50 0 DCAAMN Nc1ncc(CN2CCC[C@]3(CCc4cnc(N)nc43)C2)cn1 ZINC001704305571 1179967656 /nfs/dbraw/zinc/96/76/56/1179967656.db2.gz LKCPWHCFVCCJDV-INIZCTEOSA-N 0 1 311.393 0.911 50 0 DCAAMN COc1ncccc1CN1CCC2(CC1)C[C@](O)(CO)CCO2 ZINC001704326444 1179973326 /nfs/dbraw/zinc/97/33/26/1179973326.db2.gz XEZFYOLJQWFKGA-INIZCTEOSA-N 0 1 322.405 0.959 50 0 DCAAMN CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)CN1CCCC1 ZINC000827831764 758888184 /nfs/dbraw/zinc/88/81/84/758888184.db2.gz GLNDMYRPQWZSQX-CYBMUJFWSA-N 0 1 317.455 0.403 50 0 DCAAMN O=S(=O)(NCCCN1CCC[C@@H](O)C1)N1CCCCC1 ZINC000828627352 759049077 /nfs/dbraw/zinc/04/90/77/759049077.db2.gz GJOHKHDTJVVRBI-CYBMUJFWSA-N 0 1 305.444 0.154 50 0 DCAAMN Cc1cnc(C)nc1N1CCN(CCC[NH3+])C[C@H](C(=O)[O-])C1 ZINC000219646486 766274440 /nfs/dbraw/zinc/27/44/40/766274440.db2.gz VYZDXYYNERNZTO-ZDUSSCGKSA-N 0 1 307.398 0.265 50 0 DCAAMN Cc1nc(CN2CCC(CNC(=O)[C@H]3CCCO3)CC2)n[nH]1 ZINC000952860120 768920057 /nfs/dbraw/zinc/92/00/57/768920057.db2.gz FJIXTITVDJPQKY-CYBMUJFWSA-N 0 1 307.398 0.620 50 0 DCAAMN CC(C)C[N@H+]1CCN(c2cnc(C(=O)[O-])cn2)C[C@H]1CCO ZINC001529179438 1014513249 /nfs/dbraw/zinc/51/32/49/1014513249.db2.gz AYRYSSDZPFCKAP-GFCCVEGCSA-N 0 1 308.382 0.704 50 0 DCAAMN CC(C)C[N@H+]1CCN(c2cnc(C(=O)[O-])cn2)C[C@@H]1CCO ZINC001529179440 1014513616 /nfs/dbraw/zinc/51/36/16/1014513616.db2.gz AYRYSSDZPFCKAP-LBPRGKRZSA-N 0 1 308.382 0.704 50 0 DCAAMN CNC(=O)c1noc(CNC2CCN(Cc3ccco3)CC2)n1 ZINC001506402576 1017255335 /nfs/dbraw/zinc/25/53/35/1017255335.db2.gz TZYWQYLNCSHYDO-UHFFFAOYSA-N 0 1 319.365 0.776 50 0 DCAAMN NC(=O)[C@H]1CCC[N@@H+](CCCNc2nccnc2C(=O)[O-])C1 ZINC001506400283 1017255134 /nfs/dbraw/zinc/25/51/34/1017255134.db2.gz BUJWNRADKGIAGP-JTQLQIEISA-N 0 1 307.354 0.174 50 0 DCAAMN O=C(NCc1c[nH]nn1)c1nc(N2CCCC2)ncc1Cl ZINC000097011384 185396847 /nfs/dbraw/zinc/39/68/47/185396847.db2.gz FPPFNPYGHCSHCO-UHFFFAOYSA-N 0 1 307.745 0.778 50 0 DCAAMN C[C@H]1CN(C2CCN(C(=O)c3nccnc3N)CC2)CCO1 ZINC000071829432 191031405 /nfs/dbraw/zinc/03/14/05/191031405.db2.gz FNVWMARPPXWDGP-NSHDSACASA-N 0 1 305.382 0.384 50 0 DCAAMN C[C@@H]1CN(C2CCN(C(=O)c3nccnc3N)CC2)CCO1 ZINC000071829431 191031599 /nfs/dbraw/zinc/03/15/99/191031599.db2.gz FNVWMARPPXWDGP-LLVKDONJSA-N 0 1 305.382 0.384 50 0 DCAAMN CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CNCCO1 ZINC000072161629 191062510 /nfs/dbraw/zinc/06/25/10/191062510.db2.gz NOZVJVRROLODHP-NSHDSACASA-N 0 1 303.322 0.078 50 0 DCAAMN COc1ccccc1N1C[C@@H](C(=O)N2CCNCC2)CC1=O ZINC000003602932 181039030 /nfs/dbraw/zinc/03/90/30/181039030.db2.gz SHCJZCVGJSVRHE-LBPRGKRZSA-N 0 1 303.362 0.480 50 0 DCAAMN COC(=O)C[C@@H](C(=O)OC)[P@](=O)([O-])C[NH+]1CCCCC1 ZINC000020220462 291101018 /nfs/dbraw/zinc/10/10/18/291101018.db2.gz NIPWVBSCZQHZRL-JTQLQIEISA-N 0 1 307.283 0.805 50 0 DCAAMN COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000237152759 202168154 /nfs/dbraw/zinc/16/81/54/202168154.db2.gz KLJCGPCIUUYUQH-ZDUSSCGKSA-N 0 1 306.362 0.903 50 0 DCAAMN COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000237152759 202168156 /nfs/dbraw/zinc/16/81/56/202168156.db2.gz KLJCGPCIUUYUQH-ZDUSSCGKSA-N 0 1 306.362 0.903 50 0 DCAAMN Cn1ncnc1CS(=O)(=O)c1n[nH]c(Cc2cccs2)n1 ZINC000195162854 201350405 /nfs/dbraw/zinc/35/04/05/201350405.db2.gz JYDVNQMIIYIWHX-UHFFFAOYSA-N 0 1 324.391 0.559 50 0 DCAAMN Cn1cc(C(=O)N[C@H]2C[N@@H+](CCC(=O)[O-])C[C@@H]2C2CC2)cn1 ZINC000091434372 193054987 /nfs/dbraw/zinc/05/49/87/193054987.db2.gz GCYJUQAWWRMVHS-OLZOCXBDSA-N 0 1 306.366 0.335 50 0 DCAAMN Cc1nc(C)c(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)s1 ZINC000091594999 193078004 /nfs/dbraw/zinc/07/80/04/193078004.db2.gz OKFIMNDXQIRFIF-LLVKDONJSA-N 0 1 310.423 0.573 50 0 DCAAMN CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cn1nc2ccccc2n1 ZINC000219032999 201546708 /nfs/dbraw/zinc/54/67/08/201546708.db2.gz OKZAZGKVCUMJOL-CXOGBFNASA-N 0 1 315.377 0.265 50 0 DCAAMN O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000299770159 304138095 /nfs/dbraw/zinc/13/80/95/304138095.db2.gz QTNQWDLMPHUNMM-ILXRZTDVSA-N 0 1 318.373 0.697 50 0 DCAAMN O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252481477 304171217 /nfs/dbraw/zinc/17/12/17/304171217.db2.gz CMVXGCCFAWONOH-HZSPNIEDSA-N 0 1 320.393 0.786 50 0 DCAAMN O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252481477 304171220 /nfs/dbraw/zinc/17/12/20/304171220.db2.gz CMVXGCCFAWONOH-HZSPNIEDSA-N 0 1 320.393 0.786 50 0 DCAAMN O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252481477 304171222 /nfs/dbraw/zinc/17/12/22/304171222.db2.gz CMVXGCCFAWONOH-HZSPNIEDSA-N 0 1 320.393 0.786 50 0 DCAAMN NC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000018240840 182100338 /nfs/dbraw/zinc/10/03/38/182100338.db2.gz OQUXNYAJNVPOOX-AWEZNQCLSA-N 0 1 315.373 0.511 50 0 DCAAMN CCN1CCN(CC(=O)NC(=O)NCCCOC(C)C)CC1 ZINC000022793312 182335153 /nfs/dbraw/zinc/33/51/53/182335153.db2.gz HGFXPMCCIGWMIX-UHFFFAOYSA-N 0 1 314.430 0.265 50 0 DCAAMN CC(C)[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CCN(C)CC1 ZINC000042582864 183287003 /nfs/dbraw/zinc/28/70/03/183287003.db2.gz AEAHNJNIXDMMPG-UONOGXRCSA-N 0 1 308.430 0.227 50 0 DCAAMN CN1CCN(CCn2cnc3cc(F)c(F)cc3c2=O)CC1 ZINC000043154222 183341654 /nfs/dbraw/zinc/34/16/54/183341654.db2.gz ZLQIIHLSKJYNBM-UHFFFAOYSA-N 0 1 308.332 0.922 50 0 DCAAMN CS(=O)(=O)N1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000044158668 183397180 /nfs/dbraw/zinc/39/71/80/183397180.db2.gz HLSDHFWUSCMVMN-UHFFFAOYSA-N 0 1 308.363 0.280 50 0 DCAAMN COc1cccc(C[C@@H](NC(C)=O)C(=O)N2CCN[C@@H](C)C2)c1 ZINC000237249272 257239307 /nfs/dbraw/zinc/23/93/07/257239307.db2.gz DAHAQXJKTTXPDE-BLLLJJGKSA-N 0 1 319.405 0.563 50 0 DCAAMN Cc1nn(C)c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000521394468 257241430 /nfs/dbraw/zinc/24/14/30/257241430.db2.gz OMXAJHUWOGKENB-QWHCGFSZSA-N 0 1 312.439 0.894 50 0 DCAAMN CC(C)Cn1c(CN)nnc1SCc1cc(=O)[nH]c(=O)[nH]1 ZINC000426370908 257253237 /nfs/dbraw/zinc/25/32/37/257253237.db2.gz FBUWHPUGLIDXEW-UHFFFAOYSA-N 0 1 310.383 0.886 50 0 DCAAMN O=C1NCCCC[C@@H]1NCc1cnc(N2CCOCC2)nc1 ZINC000071816993 184850833 /nfs/dbraw/zinc/85/08/33/184850833.db2.gz WPIJATHXMCJGEZ-ZDUSSCGKSA-N 0 1 305.382 0.072 50 0 DCAAMN COC(CNC(=O)CNc1nc(Cl)nc2[nH]cnc21)OC ZINC000009050696 395685136 /nfs/dbraw/zinc/68/51/36/395685136.db2.gz IKFULOFBPCQQKP-UHFFFAOYSA-N 0 1 314.733 0.153 50 0 DCAAMN CN1C(=O)NC(=O)C(=CNC[C@]2(C)C[C@H](O)CC(C)(C)C2)C1=O ZINC000019535473 395691048 /nfs/dbraw/zinc/69/10/48/395691048.db2.gz HNZXOGMTIJYWCC-UZNBBHDYSA-N 0 1 323.393 0.745 50 0 DCAAMN Cc1cc(NC(=O)CN2CCN(C[C@H](O)C3CC3)CC2)no1 ZINC000085436847 395700336 /nfs/dbraw/zinc/70/03/36/395700336.db2.gz MGIUGWLBZMJWEX-ZDUSSCGKSA-N 0 1 308.382 0.310 50 0 DCAAMN CC[C@H]1CCCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000030142743 395701889 /nfs/dbraw/zinc/70/18/89/395701889.db2.gz ODKDGZIJAATCKW-QWRGUYRKSA-N 0 1 322.409 0.359 50 0 DCAAMN O=C([C@H]1NCCc2ccccc21)N1CCN2C(=O)NC[C@H]2C1 ZINC000095962709 395740850 /nfs/dbraw/zinc/74/08/50/395740850.db2.gz ILHVLGBEXZTQOW-JSGCOSHPSA-N 0 1 300.362 0.109 50 0 DCAAMN Cc1nc(CN2CCN(c3cnn(C)c(=O)c3Cl)CC2)n[nH]1 ZINC000096500776 395754355 /nfs/dbraw/zinc/75/43/55/395754355.db2.gz NEGKREDOMDMWNQ-UHFFFAOYSA-N 0 1 323.788 0.182 50 0 DCAAMN C[C@H]1CN(C(=O)CN2CCC(c3cnn(C)c3)CC2)CCO1 ZINC000097203223 395756101 /nfs/dbraw/zinc/75/61/01/395756101.db2.gz RWAKILMLOIBQBF-ZDUSSCGKSA-N 0 1 306.410 0.847 50 0 DCAAMN O=C(NCc1cc2n(n1)CCNC2)[C@@H]1COc2ccccc2C1 ZINC000097515041 395758567 /nfs/dbraw/zinc/75/85/67/395758567.db2.gz NIRDSVUCKKGJOE-ZDUSSCGKSA-N 0 1 312.373 0.854 50 0 DCAAMN C[C@@H]1C[N@@H+](Cc2cc(=O)n3nc[n-]c3n2)CC[C@@]1(O)C1CCC1 ZINC000102412246 395770133 /nfs/dbraw/zinc/77/01/33/395770133.db2.gz GBSKOZUSZHWXHH-BZNIZROVSA-N 0 1 317.393 0.791 50 0 DCAAMN NC(=O)CN1CCC[C@H](C(=O)NCCCc2ccccc2O)C1 ZINC000055108364 395911464 /nfs/dbraw/zinc/91/14/64/395911464.db2.gz WWZSLRHNCUGWJK-AWEZNQCLSA-N 0 1 319.405 0.638 50 0 DCAAMN C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H]1C(=O)[O-] ZINC000067774851 396033425 /nfs/dbraw/zinc/03/34/25/396033425.db2.gz AMUOPYAJFWNHMP-LLVKDONJSA-N 0 1 306.318 0.185 50 0 DCAAMN CC(C)(O)CN1CCN(C(=O)CCNc2ncccn2)CC1 ZINC000069840955 396092357 /nfs/dbraw/zinc/09/23/57/396092357.db2.gz JBUZIIMTBZDKQP-UHFFFAOYSA-N 0 1 307.398 0.194 50 0 DCAAMN O=C1NCCCC[C@H]1NCc1cnc(N2CCOCC2)nc1 ZINC000071816991 396116425 /nfs/dbraw/zinc/11/64/25/396116425.db2.gz WPIJATHXMCJGEZ-CYBMUJFWSA-N 0 1 305.382 0.072 50 0 DCAAMN Cc1cc(NC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)n(C)n1 ZINC000071864396 396119347 /nfs/dbraw/zinc/11/93/47/396119347.db2.gz CRUPMFZLSFREGK-CHWSQXEVSA-N 0 1 309.414 0.054 50 0 DCAAMN Cn1ccnc1CN1CCN(CCCN2CCCC2=O)CC1 ZINC000069455787 396079755 /nfs/dbraw/zinc/07/97/55/396079755.db2.gz FYDNJJPLYARKSX-UHFFFAOYSA-N 0 1 305.426 0.550 50 0 DCAAMN Cc1nc(C)n(C[C@@H]2CCCN2CC(=O)N2CCOCC2)n1 ZINC000069493124 396080340 /nfs/dbraw/zinc/08/03/40/396080340.db2.gz LTROXEUWPVJFFU-AWEZNQCLSA-N 0 1 307.398 0.218 50 0 DCAAMN C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCc2ccccc21 ZINC000069528610 396081845 /nfs/dbraw/zinc/08/18/45/396081845.db2.gz ZEINOANURFEAEM-ZFWWWQNUSA-N 0 1 303.406 0.884 50 0 DCAAMN Cc1ccc([C@@H](N)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000262666260 396170126 /nfs/dbraw/zinc/17/01/26/396170126.db2.gz PNRFQIKWGSSJAM-CHWSQXEVSA-N 0 1 311.407 0.145 50 0 DCAAMN CCOCCO[C@@H](C)C(=O)NCCN1CCC(OC)CC1 ZINC000075106158 396176129 /nfs/dbraw/zinc/17/61/29/396176129.db2.gz NYSNLJVTRFVPLA-ZDUSSCGKSA-N 0 1 302.415 0.655 50 0 DCAAMN Cc1nc([C@@H]2CN(CC(=O)N(C)c3nccs3)CCO2)n[nH]1 ZINC000076048727 396194202 /nfs/dbraw/zinc/19/42/02/396194202.db2.gz KXJWPNNOIQQZKN-JTQLQIEISA-N 0 1 322.394 0.606 50 0 DCAAMN Cc1ccc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000078788578 396254753 /nfs/dbraw/zinc/25/47/53/396254753.db2.gz MNOAHQQMJCDZOZ-CVEARBPZSA-N 0 1 303.406 0.990 50 0 DCAAMN CC(C)c1n[nH]c([C@H]2CN(CCS(C)(=O)=O)CCO2)n1 ZINC000078892789 396257079 /nfs/dbraw/zinc/25/70/79/396257079.db2.gz HAXICPLAGDQQEF-SNVBAGLBSA-N 0 1 302.400 0.346 50 0 DCAAMN CC(C)c1nc([C@H]2CN(CCS(C)(=O)=O)CCO2)n[nH]1 ZINC000078892789 396257082 /nfs/dbraw/zinc/25/70/82/396257082.db2.gz HAXICPLAGDQQEF-SNVBAGLBSA-N 0 1 302.400 0.346 50 0 DCAAMN Cc1ccc([C@@H](C)NCCNC(=O)[C@H](C)S(C)(=O)=O)o1 ZINC000079112764 396262029 /nfs/dbraw/zinc/26/20/29/396262029.db2.gz RMINARGDGYSBSC-MNOVXSKESA-N 0 1 302.396 0.788 50 0 DCAAMN CN(C)c1ncc(CN[C@]2(CO)COc3ccccc3C2)cn1 ZINC000527769936 396548147 /nfs/dbraw/zinc/54/81/47/396548147.db2.gz SUAFLUCCXQKHNN-QGZVFWFLSA-N 0 1 314.389 0.998 50 0 DCAAMN Cc1cnn([C@@H](C)C(=O)N2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000584890388 396634096 /nfs/dbraw/zinc/63/40/96/396634096.db2.gz JOQZWWGXVAUBEM-LBPRGKRZSA-N 0 1 303.370 0.215 50 0 DCAAMN Cc1[nH]nc2c1CN(C(=O)c1cccc(-n3cnnc3)n1)CC2 ZINC000584890977 396634183 /nfs/dbraw/zinc/63/41/83/396634183.db2.gz GZAXYCUXMQWYBQ-UHFFFAOYSA-N 0 1 309.333 0.892 50 0 DCAAMN Cc1nnc(SCC(=O)NCCc2nc(C3CC3)no2)[nH]1 ZINC000584896195 396634819 /nfs/dbraw/zinc/63/48/19/396634819.db2.gz NRLVQPKPZFKAEH-UHFFFAOYSA-N 0 1 308.367 0.825 50 0 DCAAMN Cc1n[nH]c(SCC(=O)NCCc2nc(C3CC3)no2)n1 ZINC000584896195 396634822 /nfs/dbraw/zinc/63/48/22/396634822.db2.gz NRLVQPKPZFKAEH-UHFFFAOYSA-N 0 1 308.367 0.825 50 0 DCAAMN CN1CCN([C@H]2CCN(C(=O)c3cc(F)ccc3O)C2)CC1 ZINC000584900690 396636509 /nfs/dbraw/zinc/63/65/09/396636509.db2.gz QPDCHCXBLOEESU-ZDUSSCGKSA-N 0 1 307.369 0.993 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC000044332067 415219459 /nfs/dbraw/zinc/21/94/59/415219459.db2.gz WJBKZTRALYELSX-ZIAGYGMSSA-N 0 1 311.426 0.328 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)NCCn2ccnc2)C1 ZINC000044966638 415240946 /nfs/dbraw/zinc/24/09/46/415240946.db2.gz NYXKVHZAVJQFGI-AWEZNQCLSA-N 0 1 309.414 0.539 50 0 DCAAMN CC(=O)N[C@@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)C(C)C ZINC000048355666 415291841 /nfs/dbraw/zinc/29/18/41/415291841.db2.gz XRKDFMZYIWIQEC-LSDHHAIUSA-N 0 1 313.442 0.620 50 0 DCAAMN C[C@H](C(=O)N1CCCC1)N1CCC(N2CCN(C)C2=O)CC1 ZINC000075132944 415439745 /nfs/dbraw/zinc/43/97/45/415439745.db2.gz JJUMLBRWFDRNDU-CYBMUJFWSA-N 0 1 308.426 0.829 50 0 DCAAMN O=C(Nc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)nn1 ZINC000075172710 415443341 /nfs/dbraw/zinc/44/33/41/415443341.db2.gz 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C[C@@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@@H](C)N1 ZINC000179149702 416183163 /nfs/dbraw/zinc/18/31/63/416183163.db2.gz SZRYUUMEBGNMRQ-GHMZBOCLSA-N 0 1 311.407 0.298 50 0 DCAAMN c1ncn(CCN2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000229948098 416328122 /nfs/dbraw/zinc/32/81/22/416328122.db2.gz UWYDCLQLZWCBLW-IAGOWNOFSA-N 0 1 313.405 0.863 50 0 DCAAMN O=S(=O)([N-][C@@H]1CC[NH2+]C[C@H]1O)c1ccc(F)c(F)c1F ZINC000534644724 334306631 /nfs/dbraw/zinc/30/66/31/334306631.db2.gz GVHWCMCMTAHICB-HTQZYQBOSA-N 0 1 310.297 0.105 50 0 DCAAMN Cn1ccn2ncc(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c12 ZINC000534651785 334312373 /nfs/dbraw/zinc/31/23/73/334312373.db2.gz HWWLODTWVFRYAZ-STQMWFEESA-N 0 1 303.366 0.266 50 0 DCAAMN C[C@@H]1CN(C(=O)CCOc2cccc(C(N)=O)c2)C[C@@H](C)N1 ZINC000154235304 524770289 /nfs/dbraw/zinc/77/02/89/524770289.db2.gz MOWJCRFMRQRQNL-VXGBXAGGSA-N 0 1 305.378 0.763 50 0 DCAAMN NC(=O)c1cccnc1N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000267199356 527094007 /nfs/dbraw/zinc/09/40/07/527094007.db2.gz 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/nfs/dbraw/zinc/60/01/40/685600140.db2.gz URZWFOKVWPCQOX-KBPBESRZSA-N 0 1 311.426 0.459 50 0 DCAAMN Cc1nc(N2CCCC2)nc(N[C@@H]2C[NH2+][C@H](C(=O)[O-])C2)c1C ZINC001772702341 1157840353 /nfs/dbraw/zinc/84/03/53/1157840353.db2.gz RSGKCDNHTFBSQG-RYUDHWBXSA-N 0 1 305.382 0.921 50 0 DCAAMN O=C(CN1C[C@@H]2COCC[C@]2(CO)C1)N1CCc2ccccc21 ZINC001772708845 1157846485 /nfs/dbraw/zinc/84/64/85/1157846485.db2.gz GHGQXYCJCPSENA-CRAIPNDOSA-N 0 1 316.401 0.907 50 0 DCAAMN O=C([O-])C[N@H+]1C[C@H]2COC[C@@H]1CN(c1ccc(Cl)cn1)C2 ZINC001704304994 1179967342 /nfs/dbraw/zinc/96/73/42/1179967342.db2.gz TXKVDBDWMFSVBZ-PWSUYJOCSA-N 0 1 311.769 0.957 50 0 DCAAMN O=C([O-])C[N@H+]1C[C@H]2COC[C@@H]1CN(c1ncc(Cl)cn1)C2 ZINC001704336433 1179977155 /nfs/dbraw/zinc/97/71/55/1179977155.db2.gz IFAFLANYANERSR-KOLCDFICSA-N 0 1 312.757 0.352 50 0 DCAAMN COc1cnc(N2CC[C@@]3(C(=O)[O-])CCC[N@@H+](C)[C@@H]3C2)nc1 ZINC001704335640 1179977362 /nfs/dbraw/zinc/97/73/62/1179977362.db2.gz CSCLSSJYZQJDTG-DOMZBBRYSA-N 0 1 306.366 0.861 50 0 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1 316.409 0.645 50 0 DCAAMN O=C1OCCN1C1CCN(Cc2cc3n(n2)CCNC3)CC1 ZINC000072142081 191049202 /nfs/dbraw/zinc/04/92/02/191049202.db2.gz IUVWFDMRRCEQKM-UHFFFAOYSA-N 0 1 305.382 0.403 50 0 DCAAMN O=C(C[C@@H]1COCCN1)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000072166132 191065726 /nfs/dbraw/zinc/06/57/26/191065726.db2.gz NZCNTKHOYRDUIR-GFCCVEGCSA-N 0 1 304.394 0.940 50 0 DCAAMN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1NCCc2[nH]cnc21 ZINC000072424101 191159596 /nfs/dbraw/zinc/15/95/96/191159596.db2.gz CXLYEILGRDCFSM-CQSZACIVSA-N 0 1 300.318 0.642 50 0 DCAAMN CN1C[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)NC1=O ZINC000072429480 191162629 /nfs/dbraw/zinc/16/26/29/191162629.db2.gz AFODDXSBCDKZON-ZDUSSCGKSA-N 0 1 322.434 0.806 50 0 DCAAMN O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1NCCc2[nH]cnc21 ZINC000072432006 191163764 /nfs/dbraw/zinc/16/37/64/191163764.db2.gz VPDIOEHNHYZLDM-HNNXBMFYSA-N 0 1 323.360 0.494 50 0 DCAAMN C[C@H]1CN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CCN1 ZINC000237581366 202292225 /nfs/dbraw/zinc/29/22/25/202292225.db2.gz 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/nfs/dbraw/zinc/12/26/24/182122624.db2.gz ZOQLEQUDSGFQML-AWEZNQCLSA-N 0 1 308.378 0.540 50 0 DCAAMN CS(=O)(=O)NC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000040497474 183082120 /nfs/dbraw/zinc/08/21/20/183082120.db2.gz ZNYGODQPAQKWBU-UHFFFAOYSA-N 0 1 312.395 0.441 50 0 DCAAMN CC(C)(CNC(=O)c1ccc2[nH]nnc2c1)N1CCOCC1 ZINC000041903701 183224278 /nfs/dbraw/zinc/22/42/78/183224278.db2.gz JHZKYKPVUIUJAR-UHFFFAOYSA-N 0 1 303.366 0.799 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C)Cn2ccnc2)C1 ZINC000106564387 194230590 /nfs/dbraw/zinc/23/05/90/194230590.db2.gz QYKLIZKZMGNNHW-CABCVRRESA-N 0 1 323.441 0.928 50 0 DCAAMN COCCN1CCCN(C(=O)N[C@H](C)c2nncn2C)CC1 ZINC000065437109 184345296 /nfs/dbraw/zinc/34/52/96/184345296.db2.gz VAHIYZPMFWIKAL-GFCCVEGCSA-N 0 1 310.402 0.240 50 0 DCAAMN CCn1cc(C2CCN([C@H](C)C(=O)NC(=O)NC)CC2)cn1 ZINC000065458390 184348500 /nfs/dbraw/zinc/34/85/00/184348500.db2.gz RAPDDLNKLULNDM-LLVKDONJSA-N 0 1 307.398 0.927 50 0 DCAAMN CC(C)N1CCN(C(=O)CCn2cc3[nH]cccc-3c2=O)CC1 ZINC000065462505 184348951 /nfs/dbraw/zinc/34/89/51/184348951.db2.gz PTBTXWFAGHAUPA-UHFFFAOYSA-N 0 1 316.405 0.980 50 0 DCAAMN CC(C)N(C)S(=O)(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000065406052 184338584 /nfs/dbraw/zinc/33/85/84/184338584.db2.gz LJSCWPSOGWXFJU-AWEZNQCLSA-N 0 1 319.471 0.758 50 0 DCAAMN O=S1(=O)C[C@H](O)[C@H](NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000023248952 285074104 /nfs/dbraw/zinc/07/41/04/285074104.db2.gz FZQXFCKUFDXIGB-OAGGEKHMSA-N 0 1 324.446 0.571 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCOCC1)c1n[nH]c2ccccc21 ZINC000222568803 257274335 /nfs/dbraw/zinc/27/43/35/257274335.db2.gz LEHDPQQRYBFJCU-KBPBESRZSA-N 0 1 316.361 0.392 50 0 DCAAMN O=C(NCc1cccnc1-n1cncn1)c1[nH]nc2c1CCC2 ZINC000363189747 257242003 /nfs/dbraw/zinc/24/20/03/257242003.db2.gz IIVXZBKZDJKOPZ-UHFFFAOYSA-N 0 1 309.333 0.804 50 0 DCAAMN CCN(Cc1nc(COC)no1)C(=O)N[C@H]1CN2CCC1CC2 ZINC000426549913 257246793 /nfs/dbraw/zinc/24/67/93/257246793.db2.gz KPTZXBBOYZWNBF-LBPRGKRZSA-N 0 1 323.397 0.842 50 0 DCAAMN 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/nfs/dbraw/zinc/85/87/65/395858765.db2.gz YILWJDFUOCKEOK-GFCCVEGCSA-N 0 1 322.434 0.609 50 0 DCAAMN OCCN1CCN(Cc2ccc(-c3cc[nH]n3)s2)C[C@H](O)C1 ZINC000225333213 395858774 /nfs/dbraw/zinc/85/87/74/395858774.db2.gz YILWJDFUOCKEOK-GFCCVEGCSA-N 0 1 322.434 0.609 50 0 DCAAMN CN(C)C(=O)CN(C)CCCN1C(=O)c2ccccc2C1=O ZINC000048355919 395813963 /nfs/dbraw/zinc/81/39/63/395813963.db2.gz HGJNAGQVSRGFAY-UHFFFAOYSA-N 0 1 303.362 0.693 50 0 DCAAMN CC[N@H+]1CCN(Cc2ccc(OCC(N)=O)cc2)C[C@@H](O)C1 ZINC000217823223 395840832 /nfs/dbraw/zinc/84/08/32/395840832.db2.gz UATKSVIOIMTXCE-AWEZNQCLSA-N 0 1 307.394 0.049 50 0 DCAAMN Cn1cc([C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@H]2C[C@@H](O)C2)cn1 ZINC000223748373 395856486 /nfs/dbraw/zinc/85/64/86/395856486.db2.gz PUIDHVYBVXTJQY-CHIMOYNISA-N 0 1 315.377 0.874 50 0 DCAAMN Cc1[nH]nc(C(=O)N2CC[C@@H](C(N)=O)C2)c1Br ZINC000054080573 395893240 /nfs/dbraw/zinc/89/32/40/395893240.db2.gz MEMFAPKWVDJOCO-ZCFIWIBFSA-N 0 1 301.144 0.428 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl 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0 DCAAMN C[C@@H](O)CN1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000071877159 396121756 /nfs/dbraw/zinc/12/17/56/396121756.db2.gz ZVPQBHUFLXQWOG-IAQYHMDHSA-N 0 1 300.349 0.997 50 0 DCAAMN O=C(CCCn1cccn1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000072269015 396128362 /nfs/dbraw/zinc/12/83/62/396128362.db2.gz OFILMCOPBRWIQA-LSDHHAIUSA-N 0 1 306.410 0.721 50 0 DCAAMN Cc1cnn(CCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000072269250 396128368 /nfs/dbraw/zinc/12/83/68/396128368.db2.gz PXMINRDLQLLSMB-CABCVRRESA-N 0 1 306.410 0.639 50 0 DCAAMN Cc1cccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)[C@@H](C)C2)[nH+]1 ZINC000072285290 396129824 /nfs/dbraw/zinc/12/98/24/396129824.db2.gz AWFHODQSMKMFFX-JTQLQIEISA-N 0 1 302.338 0.565 50 0 DCAAMN CN(CC(=O)NC[C@H]1COc2ccccc2O1)C(C)(C)CO ZINC000072290417 396129951 /nfs/dbraw/zinc/12/99/51/396129951.db2.gz BYJNIBKZVBMSJF-LBPRGKRZSA-N 0 1 308.378 0.645 50 0 DCAAMN Cc1[nH]ncc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000076854777 396209593 /nfs/dbraw/zinc/20/95/93/396209593.db2.gz 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/nfs/dbraw/zinc/19/38/79/396193879.db2.gz PGPKASNHJXNUSJ-LBPRGKRZSA-N 0 1 307.398 0.753 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n[nH]1 ZINC000078888844 396256296 /nfs/dbraw/zinc/25/62/96/396256296.db2.gz IHISPVCFGYBEPF-GFCCVEGCSA-N 0 1 318.381 0.944 50 0 DCAAMN Cn1cc(C[C@H]2CCN(CC(=O)NC[C@@H]3CCCO3)C2)cn1 ZINC000078988329 396259464 /nfs/dbraw/zinc/25/94/64/396259464.db2.gz AMIZPUJHOSIBPB-HIFRSBDPSA-N 0 1 306.410 0.580 50 0 DCAAMN O=C(CCCc1cn[nH]c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000584887455 396633494 /nfs/dbraw/zinc/63/34/94/396633494.db2.gz UPZNEDKUDKLPOV-UHFFFAOYSA-N 0 1 303.370 0.195 50 0 DCAAMN Cc1nnc(SCC(=O)N2CCC(c3ncon3)CC2)[nH]1 ZINC000584901935 396637043 /nfs/dbraw/zinc/63/70/43/396637043.db2.gz BQLWGWOEFDWPQZ-UHFFFAOYSA-N 0 1 308.367 0.994 50 0 DCAAMN Cc1n[nH]c(SCC(=O)N2CCC(c3ncon3)CC2)n1 ZINC000584901935 396637048 /nfs/dbraw/zinc/63/70/48/396637048.db2.gz BQLWGWOEFDWPQZ-UHFFFAOYSA-N 0 1 308.367 0.994 50 0 DCAAMN Cn1nc([C@H]2CCC[N@@H+](CC(=O)[O-])C2)n(-c2ccccc2)c1=O 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/nfs/dbraw/zinc/06/68/21/416066821.db2.gz QBKMJRYLMGIKKE-WCQYABFASA-N 0 1 321.381 0.306 50 0 DCAAMN CN(CC(=O)OC(C)(C)C)C1CCN([C@H]2CCNC2=O)CC1 ZINC000191986685 416295500 /nfs/dbraw/zinc/29/55/00/416295500.db2.gz LHOOUIUPGXTBBO-ZDUSSCGKSA-N 0 1 311.426 0.613 50 0 DCAAMN Cc1cc(C(=O)NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)no1 ZINC000253537282 416334703 /nfs/dbraw/zinc/33/47/03/416334703.db2.gz JMPPFJBAAORMJE-UHFFFAOYSA-N 0 1 318.337 0.460 50 0 DCAAMN CN1CCN2CCN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@H]2C1 ZINC000253531244 416334808 /nfs/dbraw/zinc/33/48/08/416334808.db2.gz JKZMPDAZLMEBEO-LLVKDONJSA-N 0 1 310.785 0.512 50 0 DCAAMN O=C(c1nc2ccc(F)cc2[nH]1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000215413117 416326993 /nfs/dbraw/zinc/32/69/93/416326993.db2.gz UNPPJAVZPADTFA-LPQAMYBRSA-N 0 1 319.336 0.906 50 0 DCAAMN Cn1ccn2ncc(C(=O)NCC[N@H+]3CCC[C@@H](CO)C3)c12 ZINC000215169520 416327017 /nfs/dbraw/zinc/32/70/17/416327017.db2.gz NCHLGHJBVMLZKT-GFCCVEGCSA-N 0 1 305.382 0.107 50 0 DCAAMN COc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)C2)cc1O ZINC000216198232 416327382 /nfs/dbraw/zinc/32/73/82/416327382.db2.gz VKCMBTCPMJFBCG-AWEZNQCLSA-N 0 1 319.405 0.863 50 0 DCAAMN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CNCCO1 ZINC000238033302 416329694 /nfs/dbraw/zinc/32/96/94/416329694.db2.gz RTSNBQKJYWLKGF-HNNXBMFYSA-N 0 1 300.362 0.536 50 0 DCAAMN C[C@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C ZINC000229544367 290115702 /nfs/dbraw/zinc/11/57/02/290115702.db2.gz RDAFNZFGVMKGIS-SLEUVZQESA-N 0 1 309.385 0.739 50 0 DCAAMN Cc1c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cnc2ccnn21 ZINC000534583272 334289820 /nfs/dbraw/zinc/28/98/20/334289820.db2.gz AYQPKFFDTYFRQM-KBPBESRZSA-N 0 1 315.377 0.631 50 0 DCAAMN CCn1cc(CN[C@H](C)CNS(=O)(=O)C2CC2)c(C)n1 ZINC000534644794 334306757 /nfs/dbraw/zinc/30/67/57/334306757.db2.gz ICKRCEVCKGNPBG-SNVBAGLBSA-N 0 1 300.428 0.771 50 0 DCAAMN Cc1cc([C@@H]2CCCN(C(=O)CCNS(C)(=O)=O)C2)n[nH]1 ZINC000084110428 337375797 /nfs/dbraw/zinc/37/57/97/337375797.db2.gz BGEDFIYMMCDUOK-LLVKDONJSA-N 0 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ZWBWNRRNBZCOST-NSHDSACASA-N 0 1 310.423 0.573 50 0 DCAAMN CCCn1ccnc1CNC(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000952989142 685602652 /nfs/dbraw/zinc/60/26/52/685602652.db2.gz VGPHPWNPYXSJEA-GFCCVEGCSA-N 0 1 307.398 0.107 50 0 DCAAMN O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(CC3CC3)C[C@H]12 ZINC000014743367 685048776 /nfs/dbraw/zinc/04/87/76/685048776.db2.gz NIQDAYVWVPVRKH-HZPDHXFCSA-N 0 1 313.401 0.650 50 0 DCAAMN O=C([C@H]1Cc2ccccc2CN1)N(CCO)Cc1ncc[nH]1 ZINC001772705822 1157843631 /nfs/dbraw/zinc/84/36/31/1157843631.db2.gz RSOGVADRTWWKLO-CQSZACIVSA-N 0 1 300.362 0.445 50 0 DCAAMN Cc1c(C(=O)N2C[C@H]3COC[C@@H]2C[N@@H+](CC(=O)[O-])C3)ccn1C ZINC001704311089 1179969258 /nfs/dbraw/zinc/96/92/58/1179969258.db2.gz XRYLVMDYPNMSRJ-STQMWFEESA-N 0 1 321.377 0.191 50 0 DCAAMN CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1n[nH]c3c1CCCC3)C2 ZINC001704313933 1179970012 /nfs/dbraw/zinc/97/00/12/1179970012.db2.gz SQTIOKSNLGEMEN-RYUDHWBXSA-N 0 1 304.394 0.691 50 0 DCAAMN Cc1cc2c(cc1CN1C[C@@H]3COC[C@H](C1)NC3=O)OCCO2 ZINC001704329721 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304.358 0.943 50 0 DCAAMN O=C(CCn1cnnn1)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000524732310 257213871 /nfs/dbraw/zinc/21/38/71/257213871.db2.gz JLMSHYCCEJXHAI-UHFFFAOYSA-N 0 1 304.358 0.943 50 0 DCAAMN Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@@H](C)N1CCOCC1)C2 ZINC000426728250 257243473 /nfs/dbraw/zinc/24/34/73/257243473.db2.gz IXZGSYQFZJEQCE-LLVKDONJSA-N 0 1 320.393 0.834 50 0 DCAAMN O=C(Cc1n[nH]c(=O)[n-]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426618413 257245038 /nfs/dbraw/zinc/24/50/38/257245038.db2.gz WGFZDOUYDCDPQS-GFCCVEGCSA-N 0 1 301.350 0.444 50 0 DCAAMN COc1ccnc(C(=O)NCC2(CN3CCN(C)CC3)CC2)c1 ZINC000426408919 257251540 /nfs/dbraw/zinc/25/15/40/257251540.db2.gz JDGXFPDAADFQOL-UHFFFAOYSA-N 0 1 318.421 0.848 50 0 DCAAMN O=C(NCCc1c[nH]nn1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000426395912 257252544 /nfs/dbraw/zinc/25/25/44/257252544.db2.gz FYVUZMDYGGHRIG-NSHDSACASA-N 0 1 305.382 0.645 50 0 DCAAMN O=C(NCCc1cnn[nH]1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000426395912 257252545 /nfs/dbraw/zinc/25/25/45/257252545.db2.gz FYVUZMDYGGHRIG-NSHDSACASA-N 0 1 305.382 0.645 50 0 DCAAMN CC(=O)N1CCc2cc(S(=O)(=O)NCCN(C)C)ccc21 ZINC000012141044 395687075 /nfs/dbraw/zinc/68/70/75/395687075.db2.gz FCYZEEIGJKFTDK-UHFFFAOYSA-N 0 1 311.407 0.436 50 0 DCAAMN CCN1CCN(Cc2nc(N)nc(N3CCCCC3)n2)CC1 ZINC000019944388 395691153 /nfs/dbraw/zinc/69/11/53/395691153.db2.gz MIQIJNZCXJWRNM-UHFFFAOYSA-N 0 1 305.430 0.582 50 0 DCAAMN CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)C(C)C ZINC000000899259 395680732 /nfs/dbraw/zinc/68/07/32/395680732.db2.gz LMFKRLGHEKVMNT-MEWXFMAXSA-N 0 1 313.394 0.327 50 0 DCAAMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)Cn2cccn2)C1 ZINC000089840197 395715788 /nfs/dbraw/zinc/71/57/88/395715788.db2.gz MITDBDPRNMGZKN-LSDHHAIUSA-N 0 1 323.441 0.928 50 0 DCAAMN CCCc1nc([C@H]2CN(Cc3nnnn3C3CC3)CCO2)n[nH]1 ZINC000084759018 395698752 /nfs/dbraw/zinc/69/87/52/395698752.db2.gz IBMHEWLVDMPZFY-LLVKDONJSA-N 0 1 318.385 0.652 50 0 DCAAMN CCCc1n[nH]c([C@H]2CN(Cc3nnnn3C3CC3)CCO2)n1 ZINC000084759018 395698755 /nfs/dbraw/zinc/69/87/55/395698755.db2.gz IBMHEWLVDMPZFY-LLVKDONJSA-N 0 1 318.385 0.652 50 0 DCAAMN CCN1C(=O)N[C@@](C)([C@H]2CCCN(CC(=O)NC3CC3)C2)C1=O ZINC000095402597 395740286 /nfs/dbraw/zinc/74/02/86/395740286.db2.gz JYWZEECPYZPRSG-ZBEGNZNMSA-N 0 1 322.409 0.307 50 0 DCAAMN Cc1nc2ccc(CC(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000097551406 395758443 /nfs/dbraw/zinc/75/84/43/395758443.db2.gz MFSBUEFFKCEPJO-UHFFFAOYSA-N 0 1 302.378 0.550 50 0 DCAAMN CCc1nc(SCC(=O)NCc2cnn3cccnc23)n[nH]1 ZINC000220168591 395847666 /nfs/dbraw/zinc/84/76/66/395847666.db2.gz CFDPXPZWIDPCDW-UHFFFAOYSA-N 0 1 317.378 0.818 50 0 DCAAMN CCc1n[nH]c(SCC(=O)NCc2cnn3cccnc23)n1 ZINC000220168591 395847669 /nfs/dbraw/zinc/84/76/69/395847669.db2.gz CFDPXPZWIDPCDW-UHFFFAOYSA-N 0 1 317.378 0.818 50 0 DCAAMN COc1ccc([C@@H](NC(=O)c2ncn[nH]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244787812 395925513 /nfs/dbraw/zinc/92/55/13/395925513.db2.gz QECVPSHTDWJNPS-JFGNBEQYSA-N 0 1 303.322 0.450 50 0 DCAAMN 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/nfs/dbraw/zinc/03/54/06/396035406.db2.gz PUJAGAYLVGUWDG-AWEZNQCLSA-N 0 1 318.373 0.954 50 0 DCAAMN COc1cccc(CN(C)[C@@H]2CCc3nn(C)c(=O)n3CC2)n1 ZINC000169783374 396091668 /nfs/dbraw/zinc/09/16/68/396091668.db2.gz TYRKJQNORLEYCS-CYBMUJFWSA-N 0 1 317.393 0.822 50 0 DCAAMN Cc1cnn(C[C@H]2CCCN2CC(=O)NC2CCOCC2)c1 ZINC000070039914 396098984 /nfs/dbraw/zinc/09/89/84/396098984.db2.gz WUTOIIVVISYZNM-OAHLLOKOSA-N 0 1 306.410 0.951 50 0 DCAAMN CN1CCN([C@@H]2CCN(c3ncnc4c3CCC4)C[C@H]2O)CC1 ZINC000071762232 396114161 /nfs/dbraw/zinc/11/41/61/396114161.db2.gz LPOWAQVMTRCSSR-HZPDHXFCSA-N 0 1 317.437 0.152 50 0 DCAAMN COc1ccnc(N2CCN(C(=O)c3cc(C)[nH]n3)CC2)n1 ZINC000071819953 396115992 /nfs/dbraw/zinc/11/59/92/396115992.db2.gz AIXYLSQZEQYWKC-UHFFFAOYSA-N 0 1 302.338 0.479 50 0 DCAAMN C[C@@H]1CN(C[C@H](O)Cn2nnc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000071832850 396117849 /nfs/dbraw/zinc/11/78/49/396117849.db2.gz JRIHOWNHUAKGFU-GUTXKFCHSA-N 0 1 317.393 0.810 50 0 DCAAMN C[C@H](O)CN1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 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C[C@H]1CNCCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000125724535 415867743 /nfs/dbraw/zinc/86/77/43/415867743.db2.gz NGBVUNWHCDJUTH-NSHDSACASA-N 0 1 302.378 0.899 50 0 DCAAMN Cc1[nH]c(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(C)c1C(=O)[O-] ZINC000299772901 416065808 /nfs/dbraw/zinc/06/58/08/416065808.db2.gz CVZXOXPRPBFHRB-GFCCVEGCSA-N 0 1 323.393 0.906 50 0 DCAAMN COc1ccc2nc(CNC(=O)CCCn3cnnn3)[nH]c2c1 ZINC000299763317 416065836 /nfs/dbraw/zinc/06/58/36/416065836.db2.gz ZWFLJTPTJPVMDS-UHFFFAOYSA-N 0 1 315.337 0.655 50 0 DCAAMN COc1ccc(-c2cc(CNC(=O)[C@H]3CNCCO3)no2)cc1 ZINC000299789687 416069856 /nfs/dbraw/zinc/06/98/56/416069856.db2.gz ACJPOPFUTNDWHZ-OAHLLOKOSA-N 0 1 317.345 0.955 50 0 DCAAMN O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccn(C(F)F)n1 ZINC000299786505 416070120 /nfs/dbraw/zinc/07/01/20/416070120.db2.gz MLEVRKGQOFITDJ-QWRGUYRKSA-N 0 1 300.309 0.871 50 0 DCAAMN C[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H](C)N1 ZINC000179162295 416182376 /nfs/dbraw/zinc/18/23/76/416182376.db2.gz JHPBTOJGOKCZKP-HTQZYQBOSA-N 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ZINC000670441459 547092230 /nfs/dbraw/zinc/09/22/30/547092230.db2.gz UOKXJXMNMFPNCA-UHFFFAOYSA-N 0 1 320.349 0.723 50 0 DCAAMN CN(C)C(=O)c1cncc(N2CCC(c3nc[nH]n3)CC2)n1 ZINC000670468770 547100949 /nfs/dbraw/zinc/10/09/49/547100949.db2.gz BPVMFIORVFVFPU-UHFFFAOYSA-N 0 1 301.354 0.681 50 0 DCAAMN CC(=O)c1ccc2c(c1)CCN(CCN1C(=O)CNC1=O)CC2 ZINC000677380056 547872177 /nfs/dbraw/zinc/87/21/77/547872177.db2.gz RWGSVTHKABVAHF-UHFFFAOYSA-N 0 1 315.373 0.842 50 0 DCAAMN CNC(=O)C1CN(C(=O)c2cc(-c3ccccc3OC)[nH]n2)C1 ZINC000186112413 666682017 /nfs/dbraw/zinc/68/20/17/666682017.db2.gz VYRFFTQDWAUUFF-UHFFFAOYSA-N 0 1 314.345 0.903 50 0 DCAAMN CN(Cc1cccnc1Cl)C(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000952989327 685602625 /nfs/dbraw/zinc/60/26/25/685602625.db2.gz WCMZEAYGMXRDNK-GFCCVEGCSA-N 0 1 324.812 0.891 50 0 DCAAMN C[C@H](CS(=O)(=O)N(C)C)N[C@@H]1CCCc2c1cnn2C ZINC000952992394 685602758 /nfs/dbraw/zinc/60/27/58/685602758.db2.gz LWESNQXLFVAQFX-ZYHUDNBSSA-N 0 1 300.428 0.667 50 0 DCAAMN Cc1cccc([C@H](C)NC(=O)[C@@H]2CCCN(CC(N)=O)C2)n1 ZINC000952984901 685601905 /nfs/dbraw/zinc/60/19/05/685601905.db2.gz YHJWRNUNPMRWOD-QWHCGFSZSA-N 0 1 304.394 0.765 50 0 DCAAMN CCc1nc(CN2CCCN(C(=O)c3cnccn3)CC2)n[nH]1 ZINC001772706988 1157845464 /nfs/dbraw/zinc/84/54/64/1157845464.db2.gz XGXAIOAVORDBPO-UHFFFAOYSA-N 0 1 315.381 0.505 50 0 DCAAMN O=C([O-])[C@@]12C[N@@H+](Cc3cccc(OCCO)c3)C[C@@H]1COCC2 ZINC001772709028 1157846662 /nfs/dbraw/zinc/84/66/62/1157846662.db2.gz LLNJQUPVGOQGHR-PBHICJAKSA-N 0 1 321.373 0.981 50 0 DCAAMN O=C(c1ccc2[nH]nnc2c1)N1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001704344200 1179980645 /nfs/dbraw/zinc/98/06/45/1179980645.db2.gz QTUGVVYSQDBUQI-IAQYHMDHSA-N 0 1 324.344 0.424 50 0 DCAAMN CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cn(CCO)nc1C)C2 ZINC001704350719 1179982587 /nfs/dbraw/zinc/98/25/87/1179982587.db2.gz CUZVQERCEIJBCB-GOEBONIOSA-N 0 1 306.410 0.627 50 0 DCAAMN CCn1cnnc1[C@H](C)NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000823592580 758252997 /nfs/dbraw/zinc/25/29/97/758252997.db2.gz QNJZUODSZMMYEE-XQQFMLRXSA-N 0 1 309.414 0.975 50 0 DCAAMN CCn1cnnc1[C@H](C)NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000823592580 758253006 /nfs/dbraw/zinc/25/30/06/758253006.db2.gz QNJZUODSZMMYEE-XQQFMLRXSA-N 0 1 309.414 0.975 50 0 DCAAMN Cc1nc(CN2CCC[C@@H](CNC(=O)c3ccon3)C2)n[nH]1 ZINC000825261913 758800171 /nfs/dbraw/zinc/80/01/71/758800171.db2.gz ZAOGWEHPOWWSLC-NSHDSACASA-N 0 1 304.354 0.743 50 0 DCAAMN Cc1[nH]nc(CCC(=O)NCCc2nc(N)cc(=O)[nH]2)c1C ZINC000827822505 758887072 /nfs/dbraw/zinc/88/70/72/758887072.db2.gz ZWNRZDZQLKFCHV-UHFFFAOYSA-N 0 1 304.354 0.396 50 0 DCAAMN COCCC(=O)N1CC[C@@H]2COCCN(CCOC)[C@@H]2C1 ZINC000581782133 760249761 /nfs/dbraw/zinc/24/97/61/760249761.db2.gz XEEZVOCTCXSRPV-ZIAGYGMSSA-N 0 1 300.399 0.219 50 0 DCAAMN COc1cccnc1NC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000952884301 768953275 /nfs/dbraw/zinc/95/32/75/768953275.db2.gz XHLHZKUCSLWLCT-NWDGAFQWSA-N 0 1 307.398 0.846 50 0 DCAAMN 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O=C([O-])C[C@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H]1c1c[nH]nn1 ZINC000299777859 416068041 /nfs/dbraw/zinc/06/80/41/416068041.db2.gz OZKOXWULDOIBFD-JOYOIKCWSA-N 0 1 306.322 0.580 50 0 DCAAMN O=C([O-])C[C@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H]1c1cn[nH]n1 ZINC000299777859 416068045 /nfs/dbraw/zinc/06/80/45/416068045.db2.gz OZKOXWULDOIBFD-JOYOIKCWSA-N 0 1 306.322 0.580 50 0 DCAAMN O=C([O-])C[C@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H]1c1cn[nH]n1 ZINC000299777859 416068051 /nfs/dbraw/zinc/06/80/51/416068051.db2.gz OZKOXWULDOIBFD-JOYOIKCWSA-N 0 1 306.322 0.580 50 0 DCAAMN O=C([O-])C[C@H]1C[N@@H+](Cc2ccc(CO)o2)C[C@H]1c1cnn[nH]1 ZINC000299777859 416068053 /nfs/dbraw/zinc/06/80/53/416068053.db2.gz OZKOXWULDOIBFD-JOYOIKCWSA-N 0 1 306.322 0.580 50 0 DCAAMN O=C([O-])C[C@H]1C[N@H+](Cc2ccc(CO)o2)C[C@H]1c1cnn[nH]1 ZINC000299777859 416068055 /nfs/dbraw/zinc/06/80/55/416068055.db2.gz OZKOXWULDOIBFD-JOYOIKCWSA-N 0 1 306.322 0.580 50 0 DCAAMN Cc1cc(N)n(CC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000299794752 416069740 /nfs/dbraw/zinc/06/97/40/416069740.db2.gz NBSGGIKQAAZMSI-BETUJISGSA-N 0 1 309.414 0.389 50 0 DCAAMN CNc1cc([C@H]2C[C@@H](Nc3cc(OC)nc(N)n3)C2)nc(N)n1 ZINC000240517109 416330034 /nfs/dbraw/zinc/33/00/34/416330034.db2.gz NVEJUMHNADVZJB-OCAPTIKFSA-N 0 1 316.369 0.839 50 0 DCAAMN COC1CCN(C2CN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC000575606688 417539934 /nfs/dbraw/zinc/53/99/34/417539934.db2.gz RNSJFVSBYKEHOB-UHFFFAOYSA-N 0 1 305.378 0.321 50 0 DCAAMN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CNCCO1)CC2 ZINC000072429803 277393844 /nfs/dbraw/zinc/39/38/44/277393844.db2.gz VLPZXLQJNCUSKA-OAHLLOKOSA-N 0 1 306.362 0.577 50 0 DCAAMN CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000188976492 279009971 /nfs/dbraw/zinc/00/99/71/279009971.db2.gz MIGRUNLADNHKEL-CYBMUJFWSA-N 0 1 301.350 0.945 50 0 DCAAMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1ccnn1C ZINC000187482997 288145406 /nfs/dbraw/zinc/14/54/06/288145406.db2.gz RNQKUANPEUPECS-GFCCVEGCSA-N 0 1 309.414 0.407 50 0 DCAAMN COCc1nc2n(n1)C[C@H](NCc1c(Cl)cnn1C)CC2 ZINC000132118998 523231004 /nfs/dbraw/zinc/23/10/04/523231004.db2.gz DAIDFFIQLLPCRK-SECBINFHSA-N 0 1 310.789 0.916 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000124351848 525092217 /nfs/dbraw/zinc/09/22/17/525092217.db2.gz ZJPCCHUDMBDWRK-LLVKDONJSA-N 0 1 302.378 0.999 50 0 DCAAMN Cc1ccc2nc([C@H](C)NC(=O)CCNS(C)(=O)=O)[nH]c2c1 ZINC000221235650 563723114 /nfs/dbraw/zinc/72/31/14/563723114.db2.gz RIRMPTHEAHSKRF-JTQLQIEISA-N 0 1 324.406 0.988 50 0 DCAAMN CC[C@H](C)[C@@H](CN(C)C)NS(=O)(=O)c1cn(C)c(C)n1 ZINC000888095558 661163220 /nfs/dbraw/zinc/16/32/20/661163220.db2.gz NGWHSZUGELACBL-CMPLNLGQSA-N 0 1 302.444 0.983 50 0 DCAAMN NC(=O)CN1CCC[C@@H](C(=O)NC2(CO)CCCCCC2)C1 ZINC000952973718 665835529 /nfs/dbraw/zinc/83/55/29/665835529.db2.gz PBWHNRDERAWLIC-CYBMUJFWSA-N 0 1 311.426 0.385 50 0 DCAAMN CS(=O)(=O)NC1CCN(Cc2cccc3nonc32)CC1 ZINC000077457717 685080079 /nfs/dbraw/zinc/08/00/79/685080079.db2.gz BKSRWAWATAWGFD-UHFFFAOYSA-N 0 1 310.379 0.736 50 0 DCAAMN Cn1c2ccccc2cc(CN2CC[N@@H+](C)[C@H](C(=O)[O-])C2)c1=O ZINC001704355549 1179984544 /nfs/dbraw/zinc/98/45/44/1179984544.db2.gz QMRQKPQPDMAKHR-HNNXBMFYSA-N 0 1 315.373 0.739 50 0 DCAAMN CN1CC[N@H+](Cc2cc3ccccc3n(C)c2=O)C[C@H]1C(=O)[O-] ZINC001704355549 1179984551 /nfs/dbraw/zinc/98/45/51/1179984551.db2.gz QMRQKPQPDMAKHR-HNNXBMFYSA-N 0 1 315.373 0.739 50 0 DCAAMN CN1CC[N@@H+](Cc2cc3ccccc3n(C)c2=O)C[C@H]1C(=O)[O-] ZINC001704355549 1179984556 /nfs/dbraw/zinc/98/45/56/1179984556.db2.gz QMRQKPQPDMAKHR-HNNXBMFYSA-N 0 1 315.373 0.739 50 0 DCAAMN CN1CCN(c2ccc(-c3n[nH]c(CC(N)=O)n3)cc2)CC1 ZINC000823792778 758275189 /nfs/dbraw/zinc/27/51/89/758275189.db2.gz USFPSHLRMSOJCI-UHFFFAOYSA-N 0 1 300.366 0.251 50 0 DCAAMN O=S(=O)(N1CCCC1)N1CCCN([C@@H]2CCOC2)CC1 ZINC000828388490 759002028 /nfs/dbraw/zinc/00/20/28/759002028.db2.gz GPJISRDFLJPCQI-CYBMUJFWSA-N 0 1 303.428 0.124 50 0 DCAAMN CN(C)CC(=O)N1CC(c2nc(CCOCC3CC3)no2)C1 ZINC000581809180 760254842 /nfs/dbraw/zinc/25/48/42/760254842.db2.gz HJDIKAYJDXAVKT-UHFFFAOYSA-N 0 1 308.382 0.526 50 0 DCAAMN CC(C)[C@H]1C[N@@H+](CC(=O)[O-])C[C@@H]1NC(=O)CCCc1cn[nH]c1 ZINC000219560234 766271111 /nfs/dbraw/zinc/27/11/11/766271111.db2.gz CTGVPZUTTKWIQT-KGLIPLIRSA-N 0 1 322.409 0.890 50 0 DCAAMN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@H]1c1nn[nH]n1 ZINC000585087438 766274154 /nfs/dbraw/zinc/27/41/54/766274154.db2.gz HLOBKZDCDUPUDS-VHSXEESVSA-N 0 1 322.369 0.873 50 0 DCAAMN CN(C)C1(C(=O)NC[C@@H](O)C(=O)OCc2ccccc2)CC1 ZINC000585088419 766276245 /nfs/dbraw/zinc/27/62/45/766276245.db2.gz YWZRBVUMQDTNBS-CYBMUJFWSA-N 0 1 306.362 0.301 50 0 DCAAMN CCc1nc([C@H]2CN(C(=O)Cc3cnn(C)c3)CCO2)n[nH]1 ZINC000083829942 192384929 /nfs/dbraw/zinc/38/49/29/192384929.db2.gz TVHNJMLNXYHZIO-LLVKDONJSA-N 0 1 304.354 0.243 50 0 DCAAMN O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cnn[nH]1 ZINC000072147561 191053333 /nfs/dbraw/zinc/05/33/33/191053333.db2.gz MBDNJBJGASHWEN-CYBMUJFWSA-N 0 1 302.338 0.003 50 0 DCAAMN CC[C@H]1CN(Cc2nc(CCOC)no2)CCN1C[C@@H](C)O ZINC000072279822 191102114 /nfs/dbraw/zinc/10/21/14/191102114.db2.gz WGAMWMKEWXIOPE-OLZOCXBDSA-N 0 1 312.414 0.536 50 0 DCAAMN C[N@@H+](CCO)C[C@H](CC(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000072405441 191151655 /nfs/dbraw/zinc/15/16/55/191151655.db2.gz YVPFAXQBXAKVNS-VIFPVBQESA-N 0 1 315.757 0.689 50 0 DCAAMN COCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cnc[nH]2)C1 ZINC000072418928 191157671 /nfs/dbraw/zinc/15/76/71/191157671.db2.gz SLLJIULLLCIPDK-GXTWGEPZSA-N 0 1 320.393 0.438 50 0 DCAAMN Cc1c[nH+]c(N2CCC(C(=O)[O-])(n3cccn3)CC2)nc1N ZINC000072436065 191165547 /nfs/dbraw/zinc/16/55/47/191165547.db2.gz XOCZOUPDNBPUSL-UHFFFAOYSA-N 0 1 302.338 0.644 50 0 DCAAMN C[C@@H]1CNCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000179114134 198985918 /nfs/dbraw/zinc/98/59/18/198985918.db2.gz MRVHTZAPQOLISL-LLVKDONJSA-N 0 1 316.361 0.172 50 0 DCAAMN COC(=O)C[C@H](C(=O)OC)[P@](=O)([O-])C[NH+]1CCCCC1 ZINC000020220463 291136603 /nfs/dbraw/zinc/13/66/03/291136603.db2.gz NIPWVBSCZQHZRL-SNVBAGLBSA-N 0 1 307.283 0.805 50 0 DCAAMN Cn1c(CCNC(=O)[C@@H]2CNCCO2)nc2cc(F)ccc21 ZINC000237735635 202342896 /nfs/dbraw/zinc/34/28/96/202342896.db2.gz PDNBZJBRYNRBAO-ZDUSSCGKSA-N 0 1 306.341 0.360 50 0 DCAAMN CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000091427252 193053834 /nfs/dbraw/zinc/05/38/34/193053834.db2.gz AIXLGNROVXUQTH-DZGCQCFKSA-N 0 1 324.450 0.784 50 0 DCAAMN COC(=O)CNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000020762250 182246655 /nfs/dbraw/zinc/24/66/55/182246655.db2.gz KEQVSWXJJLGNEV-CQSZACIVSA-N 0 1 315.333 0.635 50 0 biogenic DCAAMN O=C(NCc1cccs1)c1n[nH]c2c1CS(=O)(=O)CC2 ZINC000041120923 183167694 /nfs/dbraw/zinc/16/76/94/183167694.db2.gz HMAMOGKKXMCAPO-UHFFFAOYSA-N 0 1 311.388 0.872 50 0 DCAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000071419492 304216543 /nfs/dbraw/zinc/21/65/43/304216543.db2.gz QGVNAWZESZAVIL-LLVKDONJSA-N 0 1 306.366 0.942 50 0 DCAAMN CCNC(=O)NC(=O)[C@@H](C)NC[C@H]1COc2ccccc2O1 ZINC000058123484 184077442 /nfs/dbraw/zinc/07/74/42/184077442.db2.gz IYACIWIUSQADGQ-MNOVXSKESA-N 0 1 307.350 0.650 50 0 DCAAMN COc1c(CNCCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)nn1C ZINC000058404232 184113860 /nfs/dbraw/zinc/11/38/60/184113860.db2.gz VLUCZIBADXHFDB-VXGBXAGGSA-N 0 1 324.425 0.853 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1Cl ZINC000222576363 257239457 /nfs/dbraw/zinc/23/94/57/257239457.db2.gz BLQLLSFHFUGJSY-ZJUUUORDSA-N 0 1 318.830 0.979 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1Cl ZINC000222576363 257239458 /nfs/dbraw/zinc/23/94/58/257239458.db2.gz BLQLLSFHFUGJSY-ZJUUUORDSA-N 0 1 318.830 0.979 50 0 DCAAMN C[NH+]1CCN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000426505890 257248601 /nfs/dbraw/zinc/24/86/01/257248601.db2.gz RXJJQYNAZDVNJT-HNNXBMFYSA-N 0 1 319.405 0.436 50 0 DCAAMN Cc1[nH]nc(C(=O)NCCN2CCCC[C@@H]2CO)c1Cl ZINC000426489531 257249119 /nfs/dbraw/zinc/24/91/19/257249119.db2.gz JUSFSSKLKNAFOF-SNVBAGLBSA-N 0 1 300.790 0.948 50 0 DCAAMN O=C(CC(F)(F)F)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000060211275 134798395 /nfs/dbraw/zinc/79/83/95/134798395.db2.gz UBJPKRPUURKPCI-UHFFFAOYSA-N 0 1 314.271 0.954 50 0 DCAAMN NC(=O)C1CCN(CC(=O)NC2Cc3ccccc3C2)CC1 ZINC000010494361 395686097 /nfs/dbraw/zinc/68/60/97/395686097.db2.gz DSTGWCGWDWDJHN-UHFFFAOYSA-N 0 1 301.390 0.467 50 0 DCAAMN CCc1nc([C@H]2CN(Cc3nnc(C4CC4)n3C)CCO2)n[nH]1 ZINC000089289859 395710009 /nfs/dbraw/zinc/71/00/09/395710009.db2.gz GYDXQRDMQGQGFZ-LLVKDONJSA-N 0 1 317.397 0.947 50 0 DCAAMN CN1CC=C(c2noc(CCC(=O)N3CCOCC3)n2)CC1 ZINC000033069134 395716183 /nfs/dbraw/zinc/71/61/83/395716183.db2.gz LXEFDUHFRYUAAV-UHFFFAOYSA-N 0 1 306.366 0.580 50 0 DCAAMN CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 ZINC000037811541 395729096 /nfs/dbraw/zinc/72/90/96/395729096.db2.gz MZIMITCXMMJJKL-CHWSQXEVSA-N 0 1 311.407 0.227 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1Cl ZINC000037990618 395730594 /nfs/dbraw/zinc/73/05/94/395730594.db2.gz BLQLLSFHFUGJSY-NXEZZACHSA-N 0 1 318.830 0.979 50 0 DCAAMN Cn1cnc(S(=O)(=O)[N-][C@@H]2CC[N@H+]3CCCC[C@H]23)c1Cl ZINC000037990618 395730597 /nfs/dbraw/zinc/73/05/97/395730597.db2.gz BLQLLSFHFUGJSY-NXEZZACHSA-N 0 1 318.830 0.979 50 0 DCAAMN CN(C)c1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C(=O)[O-])C2)cc1 ZINC000096132128 395745557 /nfs/dbraw/zinc/74/55/57/395745557.db2.gz RSWCUJHWMVNMJY-GUYCJALGSA-N 0 1 317.389 0.841 50 0 DCAAMN COC[C@H](NC(=O)NC[C@@H]1CN(C)CCN1C)c1ccco1 ZINC000096446131 395753196 /nfs/dbraw/zinc/75/31/96/395753196.db2.gz RAIYGHWSSBTNFB-OLZOCXBDSA-N 0 1 310.398 0.512 50 0 DCAAMN O=C(CN1CC[C@H](CNc2ccccn2)C1)N1CCOCC1 ZINC000097200508 395755746 /nfs/dbraw/zinc/75/57/46/395755746.db2.gz BJADGBSGVRKENR-CQSZACIVSA-N 0 1 304.394 0.674 50 0 DCAAMN C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000107058935 395784404 /nfs/dbraw/zinc/78/44/04/395784404.db2.gz SYWQYRYUWNNCBH-IINYFYTJSA-N 0 1 323.418 0.800 50 0 DCAAMN Cc1cccc(CC(=O)N2CC[N@@H+](CC(=O)[O-])C[C@H](O)C2)c1 ZINC000097532272 395758875 /nfs/dbraw/zinc/75/88/75/395758875.db2.gz KPLFBYANSQRXTO-AWEZNQCLSA-N 0 1 306.362 0.127 50 0 DCAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=S)NC1=O ZINC000100149939 395762840 /nfs/dbraw/zinc/76/28/40/395762840.db2.gz UFKNVXBWMBITCM-VUBLIPMDSA-N 0 1 300.343 0.914 50 0 DCAAMN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000248097957 395982141 /nfs/dbraw/zinc/98/21/41/395982141.db2.gz DHQCJGRQXRNXMQ-JHJVBQTASA-N 0 1 300.424 0.506 50 0 DCAAMN CCn1c2c(C(=O)N(C)C)cnn2c(=O)c2c1CCN(C)C2 ZINC000064836017 395989704 /nfs/dbraw/zinc/98/97/04/395989704.db2.gz JOFKVPPFDVEHCP-UHFFFAOYSA-N 0 1 303.366 0.206 50 0 DCAAMN COC(=O)c1cnc(N2CCC(CN3CCOCC3)CC2)nc1 ZINC000253415243 396028069 /nfs/dbraw/zinc/02/80/69/396028069.db2.gz OJWOHCJWKXQIRH-UHFFFAOYSA-N 0 1 320.393 0.812 50 0 DCAAMN COCC[C@@H]1COCCN1C(=O)CN(C)[C@@H]1CCSC1 ZINC000253429367 396028520 /nfs/dbraw/zinc/02/85/20/396028520.db2.gz SBGCIYAKLDSGSM-CHWSQXEVSA-N 0 1 302.440 0.688 50 0 DCAAMN CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+]1CCCNC(=O)C1)C2 ZINC000067674074 396031232 /nfs/dbraw/zinc/03/12/32/396031232.db2.gz SRXNWLPNQURBDH-JTQLQIEISA-N 0 1 306.366 0.280 50 0 DCAAMN CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+]1CCCNC(=O)C1)C2 ZINC000067674074 396031236 /nfs/dbraw/zinc/03/12/36/396031236.db2.gz SRXNWLPNQURBDH-JTQLQIEISA-N 0 1 306.366 0.280 50 0 DCAAMN COCc1cc(CN(C)c2nccc(N3CC[C@H](O)C3)n2)n[nH]1 ZINC000067803981 396034412 /nfs/dbraw/zinc/03/44/12/396034412.db2.gz QGRPBKRQBNIVAD-ZDUSSCGKSA-N 0 1 318.381 0.554 50 0 DCAAMN CN(C)c1nc2c(c(NCCCN3CCCC3=O)n1)CCNC2 ZINC000067872259 396037328 /nfs/dbraw/zinc/03/73/28/396037328.db2.gz VOGDRSIBKCMUKF-UHFFFAOYSA-N 0 1 318.425 0.613 50 0 DCAAMN Cc1cc(C)n(C[C@@H]2CCCCN2CC(=O)N2CCNC2=O)n1 ZINC000069897953 396093820 /nfs/dbraw/zinc/09/38/20/396093820.db2.gz HGNWVPSYWNOJMS-AWEZNQCLSA-N 0 1 319.409 0.906 50 0 DCAAMN O=C1CCCN1CCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000069899725 396094807 /nfs/dbraw/zinc/09/48/07/396094807.db2.gz HURINRUXPIJWFQ-QGZVFWFLSA-N 0 1 317.433 0.960 50 0 DCAAMN CCn1ccnc1CN1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000070008428 396096824 /nfs/dbraw/zinc/09/68/24/396096824.db2.gz DWGGZUMIOWWZRR-UHFFFAOYSA-N 0 1 302.382 0.974 50 0 DCAAMN O=C(CN1CCC[C@@H](O)C1)N1CCN(c2ccccn2)CC1 ZINC000071874806 396120397 /nfs/dbraw/zinc/12/03/97/396120397.db2.gz JULSMHNYYGPZJM-CQSZACIVSA-N 0 1 304.394 0.187 50 0 DCAAMN CS(=O)(=O)NCCN(CCCO)[C@H]1CCc2ccccc21 ZINC000071907834 396124615 /nfs/dbraw/zinc/12/46/15/396124615.db2.gz HVGQZWAXPYPYFO-HNNXBMFYSA-N 0 1 312.435 0.908 50 0 DCAAMN O=C(CCCn1cccn1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000072269013 396127866 /nfs/dbraw/zinc/12/78/66/396127866.db2.gz OFILMCOPBRWIQA-GJZGRUSLSA-N 0 1 306.410 0.721 50 0 DCAAMN CCCCn1nnnc1CN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000072300115 396130552 /nfs/dbraw/zinc/13/05/52/396130552.db2.gz DYUGCBSWUQNUIV-NSHDSACASA-N 0 1 306.374 0.473 50 0 DCAAMN CN1CCN(CCNC(=O)[C@@H]2CSc3ccccc3O2)CC1 ZINC000069513264 396081359 /nfs/dbraw/zinc/08/13/59/396081359.db2.gz UWMWFYDZLAOSRO-AWEZNQCLSA-N 0 1 321.446 0.903 50 0 DCAAMN Cc1nc(C)n(C[C@H]2CN(c3cc(C)nc(N)n3)CCO2)n1 ZINC000075128640 396176920 /nfs/dbraw/zinc/17/69/20/396176920.db2.gz HJILADBQMUYCBZ-GFCCVEGCSA-N 0 1 303.370 0.481 50 0 DCAAMN CCN(C)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000077440239 396221936 /nfs/dbraw/zinc/22/19/36/396221936.db2.gz AJCKUMVOVOHQQR-UHFFFAOYSA-N 0 1 321.425 0.065 50 0 DCAAMN CC(C)C(=O)NCC(=O)N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000584890798 396633983 /nfs/dbraw/zinc/63/39/83/396633983.db2.gz FVYMJCNNMTYSST-CQSZACIVSA-N 0 1 311.426 0.064 50 0 DCAAMN CCc1[nH]nc2c1CN(C(=O)c1cc(=O)c(OC)c[nH]1)CC2 ZINC000584890796 396633988 /nfs/dbraw/zinc/63/39/88/396633988.db2.gz ALSWVPLSOIUHLC-UHFFFAOYSA-N 0 1 302.334 0.868 50 0 DCAAMN Cc1[nH]nc2c1CN(C(=O)[C@@H]1CSC(C)(C)C(=O)N1)CC2 ZINC000584892155 396634071 /nfs/dbraw/zinc/63/40/71/396634071.db2.gz UBSJDMQKAKPUHJ-NSHDSACASA-N 0 1 308.407 0.613 50 0 DCAAMN CCOCCC(=O)N[C@H]1C[N@@H+](CCC(=O)[O-])C[C@@H]1C(C)C ZINC000092096641 286039225 /nfs/dbraw/zinc/03/92/25/286039225.db2.gz 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/nfs/dbraw/zinc/33/85/47/663338547.db2.gz YNHVZXATNGMVNC-GJZGRUSLSA-N 0 1 323.356 0.659 50 0 DCAAMN O=C(c1nc[nH]c1C(F)(F)F)N1CCN2C(=O)N=NC2C1 ZINC000832190746 668141578 /nfs/dbraw/zinc/14/15/78/668141578.db2.gz PFTZYACBUBEMLK-UHFFFAOYSA-N 0 1 302.216 0.382 50 0 DCAAMN O=S(=O)(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ncc[n-]1 ZINC000398244609 685273575 /nfs/dbraw/zinc/27/35/75/685273575.db2.gz GIMXXSOTGDYCKV-WDNDVIMCSA-N 0 1 318.402 0.818 50 0 DCAAMN CCCn1ncnc1[C@@H](C)NC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000952967225 685599130 /nfs/dbraw/zinc/59/91/30/685599130.db2.gz IWXOYZWLTPVCNG-NEPJUHHUSA-N 0 1 322.413 0.063 50 0 DCAAMN CCN1CCN(CC(=O)N(C)[C@H](COC)c2ccccn2)CC1 ZINC000952977089 685600760 /nfs/dbraw/zinc/60/07/60/685600760.db2.gz OJIBKAYOPSZYGS-MRXNPFEDSA-N 0 1 320.437 0.865 50 0 DCAAMN C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C(=O)[O-] ZINC000067833902 685070192 /nfs/dbraw/zinc/07/01/92/685070192.db2.gz FRHVSBONFUQOAE-AWEZNQCLSA-N 0 1 301.346 0.938 50 0 DCAAMN 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/nfs/dbraw/zinc/92/15/90/768921590.db2.gz BJWTXZGDBVIENT-ZDUSSCGKSA-N 0 1 319.409 0.121 50 0 DCAAMN CCS(=O)(=O)CC(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 ZINC000952873144 768937064 /nfs/dbraw/zinc/93/70/64/768937064.db2.gz HAIXDGPWBADHEU-QMMMGPOBSA-N 0 1 311.363 0.989 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)n(C)n3)C[C@H]2O)n[nH]1 ZINC001529133770 1014501895 /nfs/dbraw/zinc/50/18/95/1014501895.db2.gz GSFXQRJVTNFOAJ-BXUZGUMPSA-N 0 1 303.366 0.436 50 0 DCAAMN Cc1cc(C[C@@H]2CN(C(=O)c3c(C)noc3C)C[C@H]2O)n[nH]1 ZINC001529189645 1014517222 /nfs/dbraw/zinc/51/72/22/1014517222.db2.gz SROAZLZAKYPZLR-DGCLKSJQSA-N 0 1 304.350 0.999 50 0 DCAAMN CCc1nc(CN2CCCN(C(=O)c3cncn3C)CC2)n[nH]1 ZINC001529189501 1014517929 /nfs/dbraw/zinc/51/79/29/1014517929.db2.gz PFFKNMJCWBXXPF-UHFFFAOYSA-N 0 1 317.397 0.449 50 0 DCAAMN CN1CCN(c2cc(C(=O)N[C@H]3CCCOC3)ccn2)CC1 ZINC000079001465 185144577 /nfs/dbraw/zinc/14/45/77/185144577.db2.gz MRIJJPLUICJVQU-AWEZNQCLSA-N 0 1 304.394 0.742 50 0 DCAAMN CCOCCN1CCN(CCOCC)[C@H](C(=O)N(C)C)C1 ZINC000079103754 185158599 /nfs/dbraw/zinc/15/85/99/185158599.db2.gz ARYOECCRJHDXEB-AWEZNQCLSA-N 0 1 301.431 0.134 50 0 DCAAMN CCc1nc([C@@H]2CN(C(=O)c3cnc(C)cn3)CCO2)n[nH]1 ZINC000083830046 192384803 /nfs/dbraw/zinc/38/48/03/192384803.db2.gz GPNBOKRCNNJMKI-NSHDSACASA-N 0 1 302.338 0.679 50 0 DCAAMN CN(C[C@H](O)CO)C(=O)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000071765326 191028044 /nfs/dbraw/zinc/02/80/44/191028044.db2.gz QWDXXJHDAMTPCO-LBPRGKRZSA-N 0 1 323.324 0.553 50 0 DCAAMN Cc1nc(CCNC(=O)C[C@@H]2COCCN2)nc2c1CCC2 ZINC000072125375 191042155 /nfs/dbraw/zinc/04/21/55/191042155.db2.gz OOEYNPXOYKNLRN-GFCCVEGCSA-N 0 1 304.394 0.311 50 0 DCAAMN Cc1nc(C)n(CCn2ccnc2-c2cc3n(n2)CCNC3)n1 ZINC000072440790 191166860 /nfs/dbraw/zinc/16/68/60/191166860.db2.gz SQCLXAVSAHDPJX-UHFFFAOYSA-N 0 1 312.381 0.758 50 0 DCAAMN COc1cccc(C[N@H+]2C[C@H]3C(=O)NC[C@@]3(C(=O)[O-])C2)c1OC ZINC000072478009 191179432 /nfs/dbraw/zinc/17/94/32/191179432.db2.gz VJMYCFPYYGCGEN-MEDUHNTESA-N 0 1 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/nfs/dbraw/zinc/05/64/10/193056410.db2.gz CKTUAQIAOKPLCX-YOEHRIQHSA-N 0 1 318.421 0.986 50 0 DCAAMN COC(=O)N1C[C@@H](N2CCCCC2)[C@@H](O)CN1C(=O)OC ZINC000001275870 283904127 /nfs/dbraw/zinc/90/41/27/283904127.db2.gz MMZZRSKYKIOHML-MNOVXSKESA-N 0 1 301.343 0.267 50 0 DCAAMN CC(C)=CCN1CCN(Cc2cnc(N)nc2)C[C@H]1CCO ZINC000104509006 194012720 /nfs/dbraw/zinc/01/27/20/194012720.db2.gz NAGWROVSNKHJAB-OAHLLOKOSA-N 0 1 305.426 0.894 50 0 DCAAMN O=C(CN1CCC(C(=O)NCCO)CC1)NCc1ccccc1 ZINC000058292596 184101239 /nfs/dbraw/zinc/10/12/39/184101239.db2.gz WQSBMZLWEMQMFX-UHFFFAOYSA-N 0 1 319.405 0.123 50 0 DCAAMN COC(=O)c1cccn1C1CCN([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000058317050 184104923 /nfs/dbraw/zinc/10/49/23/184104923.db2.gz HIPCEQDDNHYSMT-JTQLQIEISA-N 0 1 322.365 0.495 50 0 DCAAMN COc1c(CNCCn2nc3ccccn3c2=O)c(C)nn1C ZINC000058406438 184114168 /nfs/dbraw/zinc/11/41/68/184114168.db2.gz QNWQCMRICNXRMI-UHFFFAOYSA-N 0 1 316.365 0.336 50 0 DCAAMN Cc1nn(C)c(N(C)C)c1CNCCC(=O)N1CCOCC1 ZINC000058407332 184114355 /nfs/dbraw/zinc/11/43/55/184114355.db2.gz FTSMSRBBUZYHHQ-UHFFFAOYSA-N 0 1 309.414 0.133 50 0 DCAAMN O=C(CN1CCC[C@@H]1Cc1ccc(F)cc1)N1CCNC(=O)C1 ZINC000065520351 184358366 /nfs/dbraw/zinc/35/83/66/184358366.db2.gz AFSXFHDSPPEKLS-OAHLLOKOSA-N 0 1 319.380 0.791 50 0 DCAAMN CN(C)C(=O)N1CCN(CCCN2CCOCC2)C(C)(C)C1 ZINC000348921639 254264106 /nfs/dbraw/zinc/26/41/06/254264106.db2.gz SSDZACQIGRTENI-UHFFFAOYSA-N 0 1 312.458 0.787 50 0 DCAAMN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1cnc[nH]1 ZINC000524734488 257213638 /nfs/dbraw/zinc/21/36/38/257213638.db2.gz JZENOQKWBWYFTJ-UHFFFAOYSA-N 0 1 313.317 0.184 50 0 DCAAMN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCCCc1nn[nH]n1 ZINC000426428965 257249934 /nfs/dbraw/zinc/24/99/34/257249934.db2.gz MYSNKFNKFOTOJV-UHFFFAOYSA-N 0 1 320.401 0.995 50 0 DCAAMN CCNC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000012069456 395686958 /nfs/dbraw/zinc/68/69/58/395686958.db2.gz WXVLWCJUBFSKPV-UHFFFAOYSA-N 0 1 318.421 0.451 50 0 DCAAMN CO[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@H]12)C(C)C ZINC000013361447 395688506 /nfs/dbraw/zinc/68/85/06/395688506.db2.gz LMFKRLGHEKVMNT-AOLWHUPESA-N 0 1 313.394 0.327 50 0 biogenic DCAAMN CCc1nc([C@H]2CN(C(=O)Cc3cccnc3)CCO2)n[nH]1 ZINC000089289763 395709875 /nfs/dbraw/zinc/70/98/75/395709875.db2.gz PMCVXTSJQSYTBC-GFCCVEGCSA-N 0 1 301.350 0.905 50 0 DCAAMN CC(=O)N1CCN([C@H]2CN(Cc3cc(C)no3)C[C@@H]2C)CC1 ZINC000107354843 395785605 /nfs/dbraw/zinc/78/56/05/395785605.db2.gz JPUCDDWRABFHSB-LRDDRELGSA-N 0 1 306.410 0.967 50 0 DCAAMN Cc1nc(N2CCN(Cc3c[nH]nn3)C[C@H](O)C2)sc1C ZINC000097730064 395760207 /nfs/dbraw/zinc/76/02/07/395760207.db2.gz MGIISJZOBXYRFF-LBPRGKRZSA-N 0 1 308.411 0.561 50 0 DCAAMN O=C([O-])c1cccc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000097717018 395760493 /nfs/dbraw/zinc/76/04/93/395760493.db2.gz ZJDIDGFOODAZBO-AWEZNQCLSA-N 0 1 306.362 0.961 50 0 DCAAMN CCS(=O)(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1 ZINC000219283115 395844726 /nfs/dbraw/zinc/84/47/26/395844726.db2.gz BIXLQRWZVPOTAO-CYBMUJFWSA-N 0 1 316.427 0.034 50 0 DCAAMN COCCN(Cc1cnn(C)c1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000055154724 395912346 /nfs/dbraw/zinc/91/23/46/395912346.db2.gz WKRAQXIXIFYGMH-INIZCTEOSA-N 0 1 316.405 0.965 50 0 DCAAMN C[C@@H](NC(=O)CCNC(=O)c1ccccc1F)c1nnc[nH]1 ZINC000055271292 395915705 /nfs/dbraw/zinc/91/57/05/395915705.db2.gz NFNUXAFCMJMVNT-SECBINFHSA-N 0 1 305.313 0.941 50 0 DCAAMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N1CCO[C@H](C)C1 ZINC000247923400 395980545 /nfs/dbraw/zinc/98/05/45/395980545.db2.gz HURKSGFQDCUOKR-VNQPRFMTSA-N 0 1 323.437 0.709 50 0 DCAAMN CC(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC000248501278 395989114 /nfs/dbraw/zinc/98/91/14/395989114.db2.gz WJBKZTRALYELSX-KBPBESRZSA-N 0 1 311.426 0.328 50 0 DCAAMN O=C(Cc1cnc[nH]1)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 ZINC000252536493 396022693 /nfs/dbraw/zinc/02/26/93/396022693.db2.gz IRYHMLYZLVHDEA-VHDGCEQUSA-N 0 1 300.362 0.846 50 0 DCAAMN CCc1nnc(CN(C)c2cc([C@H]3C[C@@H](O)C3)nc(N)n2)o1 ZINC000252552909 396023412 /nfs/dbraw/zinc/02/34/12/396023412.db2.gz 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/nfs/dbraw/zinc/11/69/90/396116990.db2.gz RMSZUJBMTSRBBP-NSHDSACASA-N 0 1 318.381 0.817 50 0 DCAAMN C[C@@H]1CN(C[C@H](O)Cn2nnc(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000071832852 396117840 /nfs/dbraw/zinc/11/78/40/396117840.db2.gz JRIHOWNHUAKGFU-NFAWXSAZSA-N 0 1 317.393 0.810 50 0 DCAAMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N1CCOCC1 ZINC000071880510 396122507 /nfs/dbraw/zinc/12/25/07/396122507.db2.gz NKYWBHUHENTBKI-CABCVRRESA-N 0 1 309.410 0.321 50 0 DCAAMN CC(C)COC[C@H](C)NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000071897753 396124806 /nfs/dbraw/zinc/12/48/06/396124806.db2.gz KGMCOPBFPGSCQL-UONOGXRCSA-N 0 1 300.447 0.593 50 0 DCAAMN CCOc1cc(CNC(=O)CN2CCN(CC)CC2)ccn1 ZINC000072301502 396130843 /nfs/dbraw/zinc/13/08/43/396130843.db2.gz VPWKVCCFXCMQSP-UHFFFAOYSA-N 0 1 306.410 0.734 50 0 DCAAMN C[C@@]1([C@@H]2CCCN(CC(=O)NCC3CCC3)C2)NC(=O)NC1=O ZINC000072300680 396130917 /nfs/dbraw/zinc/13/09/17/396130917.db2.gz MOFZTVBUWLTVPQ-WBMJQRKESA-N 0 1 322.409 0.213 50 0 DCAAMN C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)N1CCc2ccccc21 ZINC000069528608 396082168 /nfs/dbraw/zinc/08/21/68/396082168.db2.gz ZEINOANURFEAEM-UKRRQHHQSA-N 0 1 303.406 0.884 50 0 DCAAMN C[C@H]1CNCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000178499135 396197370 /nfs/dbraw/zinc/19/73/70/396197370.db2.gz OIVLXUVUKWDMIO-ZETCQYMHSA-N 0 1 300.156 0.571 50 0 DCAAMN Cn1nc2c(cc1=O)CN(C[C@@H](O)COCc1ccco1)CC2 ZINC000078616211 396249257 /nfs/dbraw/zinc/24/92/57/396249257.db2.gz FXZNPWLYKALJHN-CYBMUJFWSA-N 0 1 319.361 0.309 50 0 DCAAMN O=C(NCc1cc(C2CC2)[nH]n1)[C@@H]1CCCCn2nnnc21 ZINC000584892947 396634186 /nfs/dbraw/zinc/63/41/86/396634186.db2.gz WPIQGOJQCNKPEI-LLVKDONJSA-N 0 1 301.354 0.858 50 0 DCAAMN CC(C)CN1CCN(C(=O)c2cncc(O)c2)C[C@H]1CCO ZINC000584901921 396636811 /nfs/dbraw/zinc/63/68/11/396636811.db2.gz QCCAYLPKAWCICO-CQSZACIVSA-N 0 1 307.394 0.952 50 0 DCAAMN C[C@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000375855957 396833824 /nfs/dbraw/zinc/83/38/24/396833824.db2.gz DMDVOMOFSWVVDX-VAQLIOGMSA-N 0 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415737345 /nfs/dbraw/zinc/73/73/45/415737345.db2.gz SSPAQDPAFPEUBQ-UHFFFAOYSA-N 0 1 317.284 0.456 50 0 DCAAMN COc1ccc2nc(CCNC(=O)[C@H]3COCCO3)[nH]c2c1 ZINC000299776773 416067043 /nfs/dbraw/zinc/06/70/43/416067043.db2.gz HFCTUEJYJQFDOF-CYBMUJFWSA-N 0 1 305.334 0.646 50 0 DCAAMN Cc1nn[nH]c1C(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1 ZINC000299796327 416070976 /nfs/dbraw/zinc/07/09/76/416070976.db2.gz QJJBWCZREDAPMY-UHFFFAOYSA-N 0 1 313.361 0.906 50 0 DCAAMN O=C([O-])c1cccc(C[NH+]2CCN(c3ncc[nH]c3=O)CC2)c1 ZINC000215296341 416327065 /nfs/dbraw/zinc/32/70/65/416327065.db2.gz AIZUPHBFIFKCGM-UHFFFAOYSA-N 0 1 314.345 0.790 50 0 DCAAMN Nc1nc(N2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc(=O)[nH]1 ZINC000426666942 416778336 /nfs/dbraw/zinc/77/83/36/416778336.db2.gz FEHFPBAZKHCSNS-NSHDSACASA-N 0 1 303.366 0.769 50 0 DCAAMN CC(C)(CN1CC[C@H]2OCc3cnnn3[C@H]2C1)N1CCOCC1 ZINC000299763753 277299570 /nfs/dbraw/zinc/29/95/70/277299570.db2.gz QWXNRDHTJVWWEA-LSDHHAIUSA-N 0 1 321.425 0.535 50 0 DCAAMN C[N@H+]1CCN(C(=O)c2ccccc2-n2cncn2)C[C@@H]1C(=O)[O-] ZINC000067654389 290032205 /nfs/dbraw/zinc/03/22/05/290032205.db2.gz GFNTXXMSQRYAFN-CYBMUJFWSA-N 0 1 315.333 0.108 50 0 DCAAMN COCC1(CNC(=O)[C@H]2CCCN(CC(N)=O)C2)CCCC1 ZINC000534660604 334313806 /nfs/dbraw/zinc/31/38/06/334313806.db2.gz ZLDSECOYPOYQBS-ZDUSSCGKSA-N 0 1 311.426 0.507 50 0 DCAAMN Cc1cccc([C@@H](CC(=O)N2CCN[C@H](C)C2)NC(N)=O)c1 ZINC000299739383 534758638 /nfs/dbraw/zinc/75/86/38/534758638.db2.gz NUANDCLARUHJSG-TZMCWYRMSA-N 0 1 304.394 0.915 50 0 DCAAMN Cc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)ccc1S(N)(=O)=O ZINC000153965705 526261874 /nfs/dbraw/zinc/26/18/74/526261874.db2.gz FZVIJSIJFOLVLY-PHIMTYICSA-N 0 1 311.407 0.465 50 0 DCAAMN CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@](O)(C(N)=O)C1 ZINC000285239519 535786228 /nfs/dbraw/zinc/78/62/28/535786228.db2.gz YPBNJFJCRPSWGE-INIZCTEOSA-N 0 1 323.368 0.096 50 0 DCAAMN Nc1cc(N)nc(SCC(=O)NC(=O)NC2CCCC2)n1 ZINC000003524593 545641305 /nfs/dbraw/zinc/64/13/05/545641305.db2.gz 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685269314 /nfs/dbraw/zinc/26/93/14/685269314.db2.gz QILKLSQMENXUPU-LBPRGKRZSA-N 0 1 308.382 0.830 50 0 DCAAMN Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952969780 685599014 /nfs/dbraw/zinc/59/90/14/685599014.db2.gz QGSXNAQAQDGJBC-GWCFXTLKSA-N 0 1 321.425 0.411 50 0 DCAAMN Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000952969780 685599015 /nfs/dbraw/zinc/59/90/15/685599015.db2.gz QGSXNAQAQDGJBC-GWCFXTLKSA-N 0 1 321.425 0.411 50 0 DCAAMN OC[C@@]12COCCN1CCN(c1ccncc1C(F)(F)F)C2 ZINC000952995591 685603722 /nfs/dbraw/zinc/60/37/22/685603722.db2.gz QSTWXWGZVLPQHW-ZDUSSCGKSA-N 0 1 317.311 0.984 50 0 DCAAMN O=C([O-])C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082125306 685082808 /nfs/dbraw/zinc/08/28/08/685082808.db2.gz VILAIKJSLOGPNS-UHFFFAOYSA-N 0 1 306.366 0.590 50 0 DCAAMN C[N@H+]1CCC[C@]2(C(=O)[O-])CCN(c3nc(C(N)=O)cs3)C[C@@H]12 ZINC001704300105 1179964732 /nfs/dbraw/zinc/96/47/32/1179964732.db2.gz VYPUGHNWRVJGDN-YGRLFVJLSA-N 0 1 324.406 0.617 50 0 DCAAMN 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