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GAEDMN N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCN3Cc3c[nH]nn3)C2)n1 ZINC001577719539 1075325045 /nfs/dbraw/zinc/32/50/45/1075325045.db2.gz VKFMTTAYLDCUEI-QLFBSQMISA-N 0 1 383.416 -1.203 20 30 GAEDMN O=C(C#CC1CC1)N1CC(S(=O)(=O)N2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001577743167 1075336158 /nfs/dbraw/zinc/33/61/58/1075336158.db2.gz RCMAKNSECWDMCB-UHFFFAOYSA-N 0 1 378.458 -1.124 20 30 GAEDMN O=C(C#CC1CC1)NCc1cn(C2CN(CC(=O)NCc3c[nH]nn3)C2)nn1 ZINC001577745780 1075336125 /nfs/dbraw/zinc/33/61/25/1075336125.db2.gz KQTXUQQRFNKCHN-UHFFFAOYSA-N 0 1 383.416 -1.401 20 30 GAEDMN C[NH+](C)CCCN(CCC#N)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001578990783 1075460580 /nfs/dbraw/zinc/46/05/80/1075460580.db2.gz KGZYLPKXZAMEJW-UHFFFAOYSA-N 0 1 375.393 -1.177 20 30 GAEDMN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579008435 1075469672 /nfs/dbraw/zinc/46/96/72/1075469672.db2.gz VNUUWHLMYMTCTI-MRVPVSSYSA-N 0 1 377.390 -1.732 20 30 GAEDMN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001579008436 1075469747 /nfs/dbraw/zinc/46/97/47/1075469747.db2.gz VNUUWHLMYMTCTI-QMMMGPOBSA-N 0 1 377.390 -1.732 20 30 GAEDMN CS(=O)(=O)N1CCN(CCNc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001580163961 1075702868 /nfs/dbraw/zinc/70/28/68/1075702868.db2.gz HKZRKJXNQLHJGZ-UHFFFAOYSA-N 0 1 378.422 -1.483 20 30 GAEDMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CC(O)(CC#N)C3)CC2)o1 ZINC001581411153 1075764114 /nfs/dbraw/zinc/76/41/14/1075764114.db2.gz NJLKRLYOLSSNQO-UHFFFAOYSA-N 0 1 387.404 -1.228 20 30 GAEDMN N#Cc1ncc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1-c1nn[nH]n1 ZINC001581881890 1075828550 /nfs/dbraw/zinc/82/85/50/1075828550.db2.gz DLQUNERQVROPMT-JTQLQIEISA-N 0 1 375.418 -1.163 20 30 GAEDMN N#Cc1ncc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1-c1nn[nH]n1 ZINC001581881891 1075828649 /nfs/dbraw/zinc/82/86/49/1075828649.db2.gz DLQUNERQVROPMT-SNVBAGLBSA-N 0 1 375.418 -1.163 20 30 GAEDMN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001588199771 1076058476 /nfs/dbraw/zinc/05/84/76/1076058476.db2.gz ZMFLIHLANHZDHJ-UHFFFAOYSA-N 0 1 383.474 -1.013 20 30 GAEDMN C#CCN(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001588348363 1076058830 /nfs/dbraw/zinc/05/88/30/1076058830.db2.gz SHMKJBCQCHPKJW-JTQLQIEISA-N 0 1 379.406 -1.710 20 30 GAEDMN C#CCN(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001588348364 1076058678 /nfs/dbraw/zinc/05/86/78/1076058678.db2.gz SHMKJBCQCHPKJW-SNVBAGLBSA-N 0 1 379.406 -1.710 20 30 GAEDMN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351315 1076059209 /nfs/dbraw/zinc/05/92/09/1076059209.db2.gz OGIQZWWEZAFDPU-AGIUHOORSA-N 0 1 383.416 -1.580 20 30 GAEDMN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001588351316 1076059134 /nfs/dbraw/zinc/05/91/34/1076059134.db2.gz OGIQZWWEZAFDPU-FRRDWIJNSA-N 0 1 383.416 -1.580 20 30 GAEDMN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001588351579 1076059510 /nfs/dbraw/zinc/05/95/10/1076059510.db2.gz ZRFANWNZBOGMCE-RDBSUJKOSA-N 0 1 383.416 -1.580 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588351617 1076059538 /nfs/dbraw/zinc/05/95/38/1076059538.db2.gz AYKDXGRETHWRJU-CYBMUJFWSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001588351618 1076059426 /nfs/dbraw/zinc/05/94/26/1076059426.db2.gz AYKDXGRETHWRJU-ZDUSSCGKSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2O)CC1 ZINC001588351622 1076059395 /nfs/dbraw/zinc/05/93/95/1076059395.db2.gz BFEJAXZILKCINR-ZIAGYGMSSA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2O)CC1 ZINC001588351622 1076059387 /nfs/dbraw/zinc/05/93/87/1076059387.db2.gz BFEJAXZILKCINR-ZIAGYGMSSA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC1 ZINC001588351766 1076059369 /nfs/dbraw/zinc/05/93/69/1076059369.db2.gz JBPCZSONHBYSOL-CABCVRRESA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2O)CC1 ZINC001588351821 1076059494 /nfs/dbraw/zinc/05/94/94/1076059494.db2.gz MBFKHARKNHDDHC-HUUCEWRRSA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2O)CC1 ZINC001588352058 1076059961 /nfs/dbraw/zinc/05/99/61/1076059961.db2.gz RXMRSGSTHSLQQQ-CABCVRRESA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2O)CC1 ZINC001588352058 1076059956 /nfs/dbraw/zinc/05/99/56/1076059956.db2.gz RXMRSGSTHSLQQQ-CABCVRRESA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588352110 1076059826 /nfs/dbraw/zinc/05/98/26/1076059826.db2.gz TVTGWIDTEXLWRS-CYBMUJFWSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588352111 1076060053 /nfs/dbraw/zinc/06/00/53/1076060053.db2.gz TVTGWIDTEXLWRS-ZDUSSCGKSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001588352198 1076060081 /nfs/dbraw/zinc/06/00/81/1076060081.db2.gz VIAPVFHVRFOYSP-CYBMUJFWSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001588352198 1076060079 /nfs/dbraw/zinc/06/00/79/1076060079.db2.gz VIAPVFHVRFOYSP-CYBMUJFWSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001588352199 1076059724 /nfs/dbraw/zinc/05/97/24/1076059724.db2.gz VIAPVFHVRFOYSP-ZDUSSCGKSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001588352199 1076059722 /nfs/dbraw/zinc/05/97/22/1076059722.db2.gz VIAPVFHVRFOYSP-ZDUSSCGKSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001588352419 1076059804 /nfs/dbraw/zinc/05/98/04/1076059804.db2.gz JWAWZBLUDARWRF-LLVKDONJSA-N 0 1 387.404 -1.474 20 30 GAEDMN C#CC[N@H+]1CCC[C@@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001588352419 1076059798 /nfs/dbraw/zinc/05/97/98/1076059798.db2.gz JWAWZBLUDARWRF-LLVKDONJSA-N 0 1 387.404 -1.474 20 30 GAEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001588352420 1076059776 /nfs/dbraw/zinc/05/97/76/1076059776.db2.gz JWAWZBLUDARWRF-NSHDSACASA-N 0 1 387.404 -1.474 20 30 GAEDMN C#CC[N@H+]1CCC[C@H](NC(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)C1 ZINC001588352420 1076059771 /nfs/dbraw/zinc/05/97/71/1076059771.db2.gz JWAWZBLUDARWRF-NSHDSACASA-N 0 1 387.404 -1.474 20 30 GAEDMN C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC001588353677 1076060713 /nfs/dbraw/zinc/06/07/13/1076060713.db2.gz AOYSXZJICDFNPG-UHFFFAOYSA-N 0 1 380.394 -2.930 20 30 GAEDMN C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001588353865 1076060786 /nfs/dbraw/zinc/06/07/86/1076060786.db2.gz ABODXHLKGNFULO-GFCCVEGCSA-N 0 1 386.420 -1.697 20 30 GAEDMN C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)CC1 ZINC001588353868 1076060678 /nfs/dbraw/zinc/06/06/78/1076060678.db2.gz ABODXHLKGNFULO-LBPRGKRZSA-N 0 1 386.420 -1.697 20 30 GAEDMN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 ZINC001588354190 1076061188 /nfs/dbraw/zinc/06/11/88/1076061188.db2.gz HMJBODNCXAYZLC-UHFFFAOYSA-N 0 1 393.429 -1.095 20 30 GAEDMN C#CCNC(=O)C[N@@H+]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001588354320 1076061472 /nfs/dbraw/zinc/06/14/72/1076061472.db2.gz KUNFECWHSPBLIR-UHFFFAOYSA-N 0 1 387.404 -2.485 20 30 GAEDMN C#CCNC(=O)C[N@H+]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nnn[n-]2)CC1 ZINC001588354320 1076061467 /nfs/dbraw/zinc/06/14/67/1076061467.db2.gz KUNFECWHSPBLIR-UHFFFAOYSA-N 0 1 387.404 -2.485 20 30 GAEDMN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 ZINC001588354460 1076061598 /nfs/dbraw/zinc/06/15/98/1076061598.db2.gz YXIVBXJSUKIRKP-UHFFFAOYSA-N 0 1 391.413 -1.202 20 30 GAEDMN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 ZINC001588354469 1076061583 /nfs/dbraw/zinc/06/15/83/1076061583.db2.gz NKTXBSXXTBGLEB-UHFFFAOYSA-N 0 1 390.429 -1.683 20 30 GAEDMN C#CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588354649 1076061953 /nfs/dbraw/zinc/06/19/53/1076061953.db2.gz UEBKCZAZDLFTRC-KRWDZBQOSA-N 0 1 386.416 -1.499 20 30 GAEDMN C#CCNC(=O)CN[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001588354650 1076061929 /nfs/dbraw/zinc/06/19/29/1076061929.db2.gz UEBKCZAZDLFTRC-QGZVFWFLSA-N 0 1 386.416 -1.499 20 30 GAEDMN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CC1 ZINC001588354769 1076061873 /nfs/dbraw/zinc/06/18/73/1076061873.db2.gz YYSSABUPFLNRIU-UHFFFAOYSA-N 0 1 395.470 -1.016 20 30 GAEDMN C#CCO[C@H](C)C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588357503 1076062437 /nfs/dbraw/zinc/06/24/37/1076062437.db2.gz KKYUKJAZZAXNGL-GFCCVEGCSA-N 0 1 386.416 -1.118 20 30 GAEDMN C#CCO[C@@H](C)C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588357504 1076062535 /nfs/dbraw/zinc/06/25/35/1076062535.db2.gz KKYUKJAZZAXNGL-LBPRGKRZSA-N 0 1 386.416 -1.118 20 30 GAEDMN C#CCOCCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001588359846 1076062502 /nfs/dbraw/zinc/06/25/02/1076062502.db2.gz YYHOKNYJKTWCPJ-UHFFFAOYSA-N 0 1 386.416 -1.116 20 30 GAEDMN C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 ZINC001588621097 1076063376 /nfs/dbraw/zinc/06/33/76/1076063376.db2.gz VKLVYUBNVSBMMG-PWSUYJOCSA-N 0 1 397.403 -1.196 20 30 GAEDMN C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 ZINC001588621098 1076063853 /nfs/dbraw/zinc/06/38/53/1076063853.db2.gz VKLVYUBNVSBMMG-ZYHUDNBSSA-N 0 1 397.403 -1.196 20 30 GAEDMN C=CCn1cc(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001588711132 1076064107 /nfs/dbraw/zinc/06/41/07/1076064107.db2.gz KEUPYKGTTOICDT-UHFFFAOYSA-N 0 1 385.392 -1.597 20 30 GAEDMN C=CCn1cc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001588711553 1076064254 /nfs/dbraw/zinc/06/42/54/1076064254.db2.gz RRPMNJVTMXBVCG-JTQLQIEISA-N 0 1 385.392 -1.599 20 30 GAEDMN C=CCn1cc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nn1 ZINC001588711554 1076064123 /nfs/dbraw/zinc/06/41/23/1076064123.db2.gz RRPMNJVTMXBVCG-SNVBAGLBSA-N 0 1 385.392 -1.599 20 30 GAEDMN C=CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nn1 ZINC001588713831 1076064531 /nfs/dbraw/zinc/06/45/31/1076064531.db2.gz VTSLIPYFTIYWQB-KOLCDFICSA-N 0 1 383.376 -1.586 20 30 GAEDMN C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001588832715 984324882 /nfs/dbraw/zinc/32/48/82/984324882.db2.gz WMEUMHVATUHUPJ-KRWDZBQOSA-N 0 1 394.384 -1.649 20 30 GAEDMN C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)C1=O ZINC001588832719 984325271 /nfs/dbraw/zinc/32/52/71/984325271.db2.gz WMEUMHVATUHUPJ-QGZVFWFLSA-N 0 1 394.384 -1.649 20 30 GAEDMN C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1=O ZINC001588891042 984486525 /nfs/dbraw/zinc/48/65/25/984486525.db2.gz BOSNEMCXNWMMPO-SCLBCKFNSA-N 0 1 392.412 -1.076 20 30 GAEDMN C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588965901 1076067885 /nfs/dbraw/zinc/06/78/85/1076067885.db2.gz OCFFSMMUMMYEQO-MWODSPESSA-N 0 1 377.390 -1.584 20 30 GAEDMN C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001588965902 1076067626 /nfs/dbraw/zinc/06/76/26/1076067626.db2.gz OCFFSMMUMMYEQO-VYUIOLGVSA-N 0 1 377.390 -1.584 20 30 GAEDMN CC(C)CN1CCO[C@H](CNC(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)C1 ZINC001589633112 1076071501 /nfs/dbraw/zinc/07/15/01/1076071501.db2.gz KMRIZQDURBDPTL-LLVKDONJSA-N 0 1 388.436 -1.010 20 30 GAEDMN CC(C)CN1CCO[C@@H](CNC(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)C1 ZINC001589633113 1076071639 /nfs/dbraw/zinc/07/16/39/1076071639.db2.gz KMRIZQDURBDPTL-NSHDSACASA-N 0 1 388.436 -1.010 20 30 GAEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC001592335242 1076180174 /nfs/dbraw/zinc/18/01/74/1076180174.db2.gz OYIVBMXPHMFOQR-UHFFFAOYSA-N 0 1 393.433 -1.217 20 30 GAEDMN N#CCSCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679188 1076196118 /nfs/dbraw/zinc/19/61/18/1076196118.db2.gz IMULAOYVWOBMRD-AWEZNQCLSA-N 0 1 375.418 -1.029 20 30 GAEDMN N#CCSCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679189 1076196282 /nfs/dbraw/zinc/19/62/82/1076196282.db2.gz IMULAOYVWOBMRD-CQSZACIVSA-N 0 1 375.418 -1.029 20 30 GAEDMN N#CCSCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001592679643 1076196043 /nfs/dbraw/zinc/19/60/43/1076196043.db2.gz XNLJEYPLZFYYED-NXEZZACHSA-N 0 1 375.418 -1.031 20 30 GAEDMN N#CCSCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001592679644 1076196219 /nfs/dbraw/zinc/19/62/19/1076196219.db2.gz XNLJEYPLZFYYED-UWVGGRQHSA-N 0 1 375.418 -1.031 20 30 GAEDMN N#CCSCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001592679645 1076196034 /nfs/dbraw/zinc/19/60/34/1076196034.db2.gz XNLJEYPLZFYYED-VHSXEESVSA-N 0 1 375.418 -1.031 20 30 GAEDMN N#CCSCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001592679646 1076196788 /nfs/dbraw/zinc/19/67/88/1076196788.db2.gz XNLJEYPLZFYYED-ZJUUUORDSA-N 0 1 375.418 -1.031 20 30 GAEDMN N#CCSCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679907 1076196699 /nfs/dbraw/zinc/19/66/99/1076196699.db2.gz AEUZCBZCSHYTSK-JTQLQIEISA-N 0 1 375.418 -1.025 20 30 GAEDMN N#CCSCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001592679908 1076196694 /nfs/dbraw/zinc/19/66/94/1076196694.db2.gz AEUZCBZCSHYTSK-SNVBAGLBSA-N 0 1 375.418 -1.025 20 30 GAEDMN N#C[C@@]12CN(S(=O)(=O)c3cccnc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 ZINC001592681220 1076196589 /nfs/dbraw/zinc/19/65/89/1076196589.db2.gz MEVQCCBVSHGYFF-ZANVPECISA-N 0 1 395.426 -1.179 20 30 GAEDMN N#Cc1ncc(N2CCN(C(=O)CN3CCOCC3)CC2)nc1-c1nn[nH]n1 ZINC001592708238 1076196722 /nfs/dbraw/zinc/19/67/22/1076196722.db2.gz CSSGUGPSCQRMRW-UHFFFAOYSA-N 0 1 384.404 -1.491 20 30 GAEDMN N#Cc1ncc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1-c1nn[nH]n1 ZINC001592708261 1076196751 /nfs/dbraw/zinc/19/67/51/1076196751.db2.gz DYXVTVMQFDPJHQ-UHFFFAOYSA-N 0 1 396.371 -1.674 20 30 GAEDMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001597049696 1076260330 /nfs/dbraw/zinc/26/03/30/1076260330.db2.gz CWIMHXIWYDGHFT-AWEZNQCLSA-N 0 1 388.428 -1.024 20 30 GAEDMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001597049699 1076260225 /nfs/dbraw/zinc/26/02/25/1076260225.db2.gz CWIMHXIWYDGHFT-CQSZACIVSA-N 0 1 388.428 -1.024 20 30 GAEDMN N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001601062054 1076264862 /nfs/dbraw/zinc/26/48/62/1076264862.db2.gz DOVQDKXCAJBRTI-DLBZAZTESA-N 0 1 380.401 -1.749 20 30 GAEDMN N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001601062055 1076264755 /nfs/dbraw/zinc/26/47/55/1076264755.db2.gz DOVQDKXCAJBRTI-IAGOWNOFSA-N 0 1 380.401 -1.749 20 30 GAEDMN N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001601062056 1076264794 /nfs/dbraw/zinc/26/47/94/1076264794.db2.gz DOVQDKXCAJBRTI-IRXDYDNUSA-N 0 1 380.401 -1.749 20 30 GAEDMN N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)C1 ZINC001601062057 1076264802 /nfs/dbraw/zinc/26/48/02/1076264802.db2.gz DOVQDKXCAJBRTI-SJORKVTESA-N 0 1 380.401 -1.749 20 30 GAEDMN N#CCn1cc(NC(=O)C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001601079164 1076264871 /nfs/dbraw/zinc/26/48/71/1076264871.db2.gz QBWCWAMTAJEJLT-INIZCTEOSA-N 0 1 376.373 -1.267 20 30 GAEDMN N#CCn1cc(NC(=O)C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)cn1 ZINC001601079165 1076264849 /nfs/dbraw/zinc/26/48/49/1076264849.db2.gz QBWCWAMTAJEJLT-MRXNPFEDSA-N 0 1 376.373 -1.267 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602717875 1076272048 /nfs/dbraw/zinc/27/20/48/1076272048.db2.gz FXLMBTFCUKIMBJ-CYBMUJFWSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602717875 1076272043 /nfs/dbraw/zinc/27/20/43/1076272043.db2.gz FXLMBTFCUKIMBJ-CYBMUJFWSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001602717876 1076271899 /nfs/dbraw/zinc/27/18/99/1076271899.db2.gz FXLMBTFCUKIMBJ-ZDUSSCGKSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001602717876 1076271897 /nfs/dbraw/zinc/27/18/97/1076271897.db2.gz FXLMBTFCUKIMBJ-ZDUSSCGKSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602717950 1076271883 /nfs/dbraw/zinc/27/18/83/1076271883.db2.gz KAFPZVIHBDVUOM-CYBMUJFWSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001602717951 1076272016 /nfs/dbraw/zinc/27/20/16/1076272016.db2.gz KAFPZVIHBDVUOM-ZDUSSCGKSA-N 0 1 385.432 -1.109 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2O)CC1 ZINC001602718340 1076271870 /nfs/dbraw/zinc/27/18/70/1076271870.db2.gz RXMRSGSTHSLQQQ-HUUCEWRRSA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2O)CC1 ZINC001602718340 1076271866 /nfs/dbraw/zinc/27/18/66/1076271866.db2.gz RXMRSGSTHSLQQQ-HUUCEWRRSA-N 0 1 397.443 -1.332 20 30 GAEDMN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O ZINC001602721373 1076271910 /nfs/dbraw/zinc/27/19/10/1076271910.db2.gz GSGZKOIAYRJQHQ-AGIUHOORSA-N 0 1 383.416 -1.580 20 30 GAEDMN C#CCO[C@H](C)C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602727583 1076272681 /nfs/dbraw/zinc/27/26/81/1076272681.db2.gz PYHQWHBOLAFKFC-CYBMUJFWSA-N 0 1 385.432 -1.067 20 30 GAEDMN C#CCO[C@@H](C)C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602727585 1076272786 /nfs/dbraw/zinc/27/27/86/1076272786.db2.gz PYHQWHBOLAFKFC-ZDUSSCGKSA-N 0 1 385.432 -1.067 20 30 GAEDMN C#CCOCCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001602729164 1076272760 /nfs/dbraw/zinc/27/27/60/1076272760.db2.gz HONFJKPPULALMB-UHFFFAOYSA-N 0 1 385.432 -1.065 20 30 GAEDMN C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001602735693 1076272688 /nfs/dbraw/zinc/27/26/88/1076272688.db2.gz OXICQGZDRJKRPW-GFCCVEGCSA-N 0 1 379.384 -1.000 20 30 GAEDMN C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001602735694 1076272712 /nfs/dbraw/zinc/27/27/12/1076272712.db2.gz OXICQGZDRJKRPW-LBPRGKRZSA-N 0 1 379.384 -1.000 20 30 GAEDMN C=CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001602847639 1076273062 /nfs/dbraw/zinc/27/30/62/1076273062.db2.gz YKCZJDKHVUJWKK-SECBINFHSA-N 0 1 395.401 -1.669 20 30 GAEDMN C=CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001602847640 1076273197 /nfs/dbraw/zinc/27/31/97/1076273197.db2.gz YKCZJDKHVUJWKK-VIFPVBQESA-N 0 1 395.401 -1.669 20 30 GAEDMN C=CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nn1 ZINC001602882826 1076273189 /nfs/dbraw/zinc/27/31/89/1076273189.db2.gz VTSLIPYFTIYWQB-MWLCHTKSSA-N 0 1 383.376 -1.586 20 30 GAEDMN C=CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2O)nn1 ZINC001602882826 1076273185 /nfs/dbraw/zinc/27/31/85/1076273185.db2.gz VTSLIPYFTIYWQB-MWLCHTKSSA-N 0 1 383.376 -1.586 20 30 GAEDMN C[NH+]=C(NCCCc1[nH]nc(N)c1-c1nn[n-]n1)NCCN1CCOCC1 ZINC001604872572 1076324356 /nfs/dbraw/zinc/32/43/56/1076324356.db2.gz NSPKWFRNXRFGIU-UHFFFAOYSA-N 0 1 377.457 -1.398 20 30 GAEDMN C[NH+]=C(NCCCc1[nH]nc(N)c1-c1nnn[n-]1)NCCN1CCOCC1 ZINC001604872572 1076324350 /nfs/dbraw/zinc/32/43/50/1076324350.db2.gz NSPKWFRNXRFGIU-UHFFFAOYSA-N 0 1 377.457 -1.398 20 30 GAEDMN Cc1nn(C)c(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)c1C#N ZINC001606109811 1076356764 /nfs/dbraw/zinc/35/67/64/1076356764.db2.gz YAQTUINXMCCPLK-UHFFFAOYSA-N 0 1 382.392 -1.279 20 30 GAEDMN N#Cc1ncc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1-c1nn[nH]n1 ZINC001606397723 1076367136 /nfs/dbraw/zinc/36/71/36/1076367136.db2.gz XKSMEZILYPKIJB-UHFFFAOYSA-N 0 1 398.387 -1.964 20 30 GAEDMN Cn1cc(S(=O)(=O)NN=Cc2nc(-c3nn[nH]n3)cs2)c(=O)n(C)c1=O ZINC001609479863 1076421498 /nfs/dbraw/zinc/42/14/98/1076421498.db2.gz UKUFAGKNJXEPTO-UHFFFAOYSA-N 0 1 397.402 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